data_25050 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25050 _Entry.PDB_ID 2MQU 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 25050 _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 CYS HA H 2 4.923 4.923 5.222 -0.299 25050 2 1 1 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.677 -2.984 25050 3 1 1 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.063 12.666 25050 4 1 1 . 1 1 2 2 CYS H H 2 8.404 8.404 8.095 0.309 25050 5 1 1 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.339 -0.410 25050 6 1 1 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.139 0.009 25050 7 1 1 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.979 -0.939 25050 8 1 1 . 1 1 3 3 ILE H H 3 8.924 8.924 8.476 0.448 25050 9 1 1 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.399 -0.430 25050 10 1 1 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.449 -0.625 25050 11 1 1 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.043 -0.041 25050 12 1 1 . 1 1 4 4 ALA H H 4 7.989 7.989 8.657 -0.668 25050 13 1 1 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.156 -0.418 25050 14 1 1 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.123 -0.060 25050 15 1 1 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.508 1.672 25050 16 1 1 . 1 1 5 5 LYS H H 5 7.690 7.690 8.433 -0.743 25050 17 1 1 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.676 -0.525 25050 18 1 1 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.146 0.753 25050 19 1 1 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.712 -4.032 25050 20 1 1 . 1 1 6 6 ASN H H 6 9.818 9.818 8.746 1.072 25050 21 1 1 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.496 0.011 25050 22 1 1 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.310 -1.222 25050 23 1 1 . 1 1 7 7 LYS H H 7 7.801 7.801 7.546 0.255 25050 24 1 1 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.483 0.216 25050 25 1 1 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.160 6.184 25050 26 1 1 . 1 1 8 8 GLU H H 8 8.370 8.370 8.519 -0.149 25050 27 1 1 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.716 0.154 25050 28 1 1 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.438 -5.216 25050 29 1 1 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.084 17.941 25050 30 1 1 . 1 1 9 9 CYS H H 9 8.157 8.157 8.315 -0.158 25050 31 1 1 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.701 -0.482 25050 32 1 1 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.354 -0.320 25050 33 1 1 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.799 0.423 25050 34 1 1 . 1 1 10 10 ALA H H 10 8.169 8.169 8.210 -0.041 25050 35 1 1 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.561 0.031 25050 36 1 1 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.190 -0.867 25050 37 1 1 . 1 1 11 11 TRP H H 11 8.070 8.070 8.916 -0.846 25050 38 1 1 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.803 -0.292 25050 39 1 1 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.425 -2.724 25050 40 1 1 . 1 1 12 12 PHE H H 12 8.019 8.019 7.815 0.204 25050 41 1 1 . 1 1 13 13 SER HA H 13 4.366 4.366 4.301 0.065 25050 42 1 1 . 1 1 13 13 SER CB C 13 63.656 63.656 63.683 -0.027 25050 43 1 1 . 1 1 13 13 SER H H 13 7.860 7.860 7.968 -0.108 25050 44 1 1 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.850 -0.265 25050 45 1 1 . 1 1 14 14 GLY H H 14 7.866 7.866 8.619 -0.753 25050 46 1 1 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.926 0.379 25050 47 1 1 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.969 -0.070 25050 48 1 1 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.003 -0.306 25050 49 1 1 . 1 1 15 15 GLU H H 15 7.719 7.719 7.346 0.373 25050 50 1 1 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.060 -0.133 25050 51 1 1 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.498 0.271 25050 52 1 1 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.868 -0.426 25050 53 1 1 . 1 1 16 16 TRP H H 16 8.423 8.423 7.948 0.475 25050 54 1 1 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.784 0.272 25050 55 1 1 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.254 -4.598 25050 56 1 1 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.711 11.250 25050 57 1 1 . 1 1 17 17 CYS H H 17 8.749 8.749 8.916 -0.167 25050 58 1 1 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.470 0.016 25050 59 1 1 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.501 13.377 25050 60 1 1 . 1 1 18 18 CYS H H 18 9.360 9.360 8.538 0.822 25050 61 1 1 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.253 -0.328 25050 62 1 1 . 1 1 19 19 GLY H H 19 8.577 8.577 8.836 -0.259 25050 63 1 1 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.489 -0.044 25050 64 1 1 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.108 -2.530 25050 65 1 1 . 1 1 20 20 ALA H H 20 8.625 8.625 8.184 0.441 25050 66 1 1 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.547 -0.179 25050 67 1 1 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.134 -1.007 25050 68 1 1 . 1 1 21 21 LEU H H 21 7.637 7.637 7.570 0.067 25050 69 1 1 . 1 1 22 22 SER HA H 22 4.712 4.712 4.698 0.014 25050 70 1 1 . 1 1 22 22 SER CB C 22 65.549 65.549 65.116 0.433 25050 71 1 1 . 1 1 22 22 SER H H 22 9.351 9.351 8.489 0.862 25050 72 1 1 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.728 0.160 25050 73 1 1 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.143 -3.234 25050 74 1 1 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.656 12.797 25050 75 1 1 . 1 1 23 23 CYS H H 23 8.690 8.690 8.716 -0.026 25050 76 1 1 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.828 0.040 25050 77 1 1 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.499 -0.286 25050 78 1 1 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.359 0.973 25050 79 1 1 . 1 1 24 24 LYS H H 24 9.202 9.202 8.573 0.629 25050 80 1 1 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.533 -0.366 25050 81 1 1 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.878 0.330 25050 82 1 1 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.448 -1.469 25050 83 1 1 . 1 1 25 25 TYR H H 25 8.912 8.912 8.554 0.358 25050 84 1 1 . 1 1 26 26 SER HA H 26 4.597 4.597 4.674 -0.077 25050 85 1 1 . 1 1 26 26 SER CB C 26 63.103 63.103 63.199 -0.096 25050 86 1 1 . 1 1 26 26 SER H H 26 8.099 8.099 8.583 -0.484 25050 87 1 1 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.764 0.031 25050 88 1 1 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.818 -0.078 25050 89 1 1 . 1 1 27 27 ILE H H 27 8.475 8.475 8.528 -0.053 25050 90 1 1 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.047 -0.007 25050 91 1 1 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.113 -1.479 25050 92 1 1 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.673 0.282 25050 93 1 1 . 1 1 28 28 LYS H H 28 7.774 7.774 8.477 -0.703 25050 94 1 1 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.386 -0.192 25050 95 1 1 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.174 0.055 25050 96 1 1 . 1 1 29 29 ARG H H 29 7.301 7.301 7.520 -0.219 25050 97 1 1 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.349 -0.157 25050 98 1 1 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.375 0.254 25050 99 1 1 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.906 -0.444 25050 100 1 1 . 1 1 30 30 ASN H H 30 8.223 8.223 8.106 0.117 25050 101 1 1 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.502 0.057 25050 102 1 1 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.701 -0.390 25050 103 1 1 . 1 1 31 31 LEU H H 31 7.075 7.075 7.346 -0.271 25050 104 1 1 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.811 -0.077 25050 105 1 1 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.511 -0.573 25050 106 1 1 . 1 1 32 32 LYS H H 32 8.248 8.248 8.234 0.014 25050 107 1 1 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.076 -0.084 25050 108 1 1 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.397 0.107 25050 109 1 1 . 1 1 33 33 ILE H H 33 8.480 8.480 8.234 0.246 25050 110 1 1 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.436 -0.328 25050 111 1 1 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.310 -4.892 25050 112 1 1 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.572 11.619 25050 113 1 1 . 1 1 34 34 CYS H H 34 7.758 7.758 7.897 -0.139 25050 114 1 2 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.159 -0.236 25050 115 1 2 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.720 -3.027 25050 116 1 2 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.024 12.705 25050 117 1 2 . 1 1 2 2 CYS H H 2 8.404 8.404 8.057 0.347 25050 118 1 2 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.300 -0.371 25050 119 1 2 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.299 -0.151 25050 120 1 2 . 1 1 3 3 ILE CB C 3 38.040 38.040 39.050 -1.010 25050 121 1 2 . 1 1 3 3 ILE H H 3 8.924 8.924 8.441 0.483 25050 122 1 2 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.398 -0.429 25050 123 1 2 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.437 -0.613 25050 124 1 2 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.046 -0.044 25050 125 1 2 . 1 1 4 4 ALA H H 4 7.989 7.989 8.653 -0.664 25050 126 1 2 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.179 -0.441 25050 127 1 2 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.108 -0.044 25050 128 1 2 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.418 1.762 25050 129 1 2 . 1 1 5 5 LYS H H 5 7.690 7.690 8.509 -0.819 25050 130 1 2 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.667 -0.516 25050 131 1 2 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.106 0.793 25050 132 1 2 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.748 -4.068 25050 133 1 2 . 1 1 6 6 ASN H H 6 9.818 9.818 8.720 1.098 25050 134 1 2 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.501 0.006 25050 135 1 2 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.252 -1.163 25050 136 1 2 . 1 1 7 7 LYS H H 7 7.801 7.801 7.576 0.225 25050 137 1 2 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.497 0.202 25050 138 1 2 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.176 6.168 25050 139 1 2 . 1 1 8 8 GLU H H 8 8.370 8.370 8.518 -0.148 25050 140 1 2 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.761 0.109 25050 141 1 2 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.524 -5.302 25050 142 1 2 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.076 17.949 25050 143 1 2 . 1 1 9 9 CYS H H 9 8.157 8.157 8.174 -0.017 25050 144 1 2 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.745 -0.526 25050 145 1 2 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.195 -0.161 25050 146 1 2 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.942 0.280 25050 147 1 2 . 1 1 10 10 ALA H H 10 8.169 8.169 8.244 -0.075 25050 148 1 2 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.559 0.033 25050 149 1 2 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.198 -0.875 25050 150 1 2 . 1 1 11 11 TRP H H 11 8.070 8.070 8.927 -0.857 25050 151 1 2 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.791 -0.280 25050 152 1 2 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.398 -2.697 25050 153 1 2 . 1 1 12 12 PHE H H 12 8.019 8.019 7.805 0.214 25050 154 1 2 . 1 1 13 13 SER HA H 13 4.366 4.366 4.321 0.045 25050 155 1 2 . 1 1 13 13 SER CB C 13 63.656 63.656 63.785 -0.129 25050 156 1 2 . 1 1 13 13 SER H H 13 7.860 7.860 7.992 -0.132 25050 157 1 2 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.678 -0.093 25050 158 1 2 . 1 1 14 14 GLY H H 14 7.866 7.866 8.526 -0.660 25050 159 1 2 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.980 0.325 25050 160 1 2 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.791 0.108 25050 161 1 2 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.218 -0.521 25050 162 1 2 . 1 1 15 15 GLU H H 15 7.719 7.719 7.536 0.183 25050 163 1 2 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.073 -0.146 25050 164 1 2 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.042 -0.273 25050 165 1 2 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.289 -0.847 25050 166 1 2 . 1 1 16 16 TRP H H 16 8.423 8.423 7.926 0.497 25050 167 1 2 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.810 0.246 25050 168 1 2 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.284 -4.628 25050 169 1 2 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.545 11.416 25050 170 1 2 . 1 1 17 17 CYS H H 17 8.749 8.749 8.952 -0.203 25050 171 1 2 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.424 0.062 25050 172 1 2 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.375 13.503 25050 173 1 2 . 1 1 18 18 CYS H H 18 9.360 9.360 8.532 0.828 25050 174 1 2 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.186 -0.261 25050 175 1 2 . 1 1 19 19 GLY H H 19 8.577 8.577 8.833 -0.256 25050 176 1 2 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.501 -0.056 25050 177 1 2 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.085 -2.507 25050 178 1 2 . 1 1 20 20 ALA H H 20 8.625 8.625 8.195 0.430 25050 179 1 2 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.580 -0.212 25050 180 1 2 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.037 -0.910 25050 181 1 2 . 1 1 21 21 LEU H H 21 7.637 7.637 7.584 0.053 25050 182 1 2 . 1 1 22 22 SER HA H 22 4.712 4.712 4.673 0.039 25050 183 1 2 . 1 1 22 22 SER CB C 22 65.549 65.549 65.587 -0.038 25050 184 1 2 . 1 1 22 22 SER H H 22 9.351 9.351 8.319 1.032 25050 185 1 2 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.706 0.182 25050 186 1 2 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.157 -3.248 25050 187 1 2 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.363 13.090 25050 188 1 2 . 1 1 23 23 CYS H H 23 8.690 8.690 8.740 -0.050 25050 189 1 2 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.793 0.075 25050 190 1 2 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.040 0.173 25050 191 1 2 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.757 1.576 25050 192 1 2 . 1 1 24 24 LYS H H 24 9.202 9.202 8.221 0.981 25050 193 1 2 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.510 -0.343 25050 194 1 2 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.929 0.279 25050 195 1 2 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.531 -1.552 25050 196 1 2 . 1 1 25 25 TYR H H 25 8.912 8.912 8.523 0.389 25050 197 1 2 . 1 1 26 26 SER HA H 26 4.597 4.597 4.675 -0.078 25050 198 1 2 . 1 1 26 26 SER CB C 26 63.103 63.103 62.949 0.154 25050 199 1 2 . 1 1 26 26 SER H H 26 8.099 8.099 8.555 -0.456 25050 200 1 2 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.767 0.028 25050 201 1 2 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.740 0.000 25050 202 1 2 . 1 1 27 27 ILE H H 27 8.475 8.475 8.531 -0.056 25050 203 1 2 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.064 -0.024 25050 204 1 2 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.916 -1.282 25050 205 1 2 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.544 0.411 25050 206 1 2 . 1 1 28 28 LYS H H 28 7.774 7.774 8.478 -0.704 25050 207 1 2 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.444 -0.249 25050 208 1 2 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.428 -0.200 25050 209 1 2 . 1 1 29 29 ARG H H 29 7.301 7.301 7.479 -0.178 25050 210 1 2 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.278 -0.086 25050 211 1 2 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.393 0.236 25050 212 1 2 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.858 -0.396 25050 213 1 2 . 1 1 30 30 ASN H H 30 8.223 8.223 8.020 0.203 25050 214 1 2 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.527 0.032 25050 215 1 2 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.018 0.293 25050 216 1 2 . 1 1 31 31 LEU H H 31 7.075 7.075 7.382 -0.307 25050 217 1 2 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.795 -0.061 25050 218 1 2 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.488 -0.550 25050 219 1 2 . 1 1 32 32 LYS H H 32 8.248 8.248 8.238 0.010 25050 220 1 2 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.968 0.024 25050 221 1 2 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.392 0.112 25050 222 1 2 . 1 1 33 33 ILE H H 33 8.480 8.480 8.176 0.304 25050 223 1 2 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.411 -0.303 25050 224 1 2 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.398 -4.980 25050 225 1 2 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.709 11.482 25050 226 1 2 . 1 1 34 34 CYS H H 34 7.758 7.758 7.921 -0.163 25050 227 1 3 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.245 -0.322 25050 228 1 3 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.052 -3.359 25050 229 1 3 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.808 12.921 25050 230 1 3 . 1 1 2 2 CYS H H 2 8.404 8.404 7.721 0.683 25050 231 1 3 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.329 -0.400 25050 232 1 3 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.143 0.005 25050 233 1 3 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.905 -0.865 25050 234 1 3 . 1 1 3 3 ILE H H 3 8.924 8.924 8.493 0.431 25050 235 1 3 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.405 -0.436 25050 236 1 3 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.524 -0.700 25050 237 1 3 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.889 0.113 25050 238 1 3 . 1 1 4 4 ALA H H 4 7.989 7.989 8.631 -0.642 25050 239 1 3 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.130 -0.392 25050 240 1 3 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.084 -0.020 25050 241 1 3 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.612 1.568 25050 242 1 3 . 1 1 5 5 LYS H H 5 7.690 7.690 8.484 -0.794 25050 243 1 3 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.648 -0.497 25050 244 1 3 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.376 0.523 25050 245 1 3 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.028 -3.348 25050 246 1 3 . 1 1 6 6 ASN H H 6 9.818 9.818 8.642 1.176 25050 247 1 3 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.508 -0.001 25050 248 1 3 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.387 -1.298 25050 249 1 3 . 1 1 7 7 LYS H H 7 7.801 7.801 7.628 0.173 25050 250 1 3 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.456 0.243 25050 251 1 3 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.138 6.206 25050 252 1 3 . 1 1 8 8 GLU H H 8 8.370 8.370 8.528 -0.158 25050 253 1 3 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.726 0.144 25050 254 1 3 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.534 -5.312 25050 255 1 3 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.438 17.587 25050 256 1 3 . 1 1 9 9 CYS H H 9 8.157 8.157 8.340 -0.183 25050 257 1 3 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.767 -0.548 25050 258 1 3 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.060 -0.026 25050 259 1 3 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.153 0.069 25050 260 1 3 . 1 1 10 10 ALA H H 10 8.169 8.169 8.230 -0.061 25050 261 1 3 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.548 0.044 25050 262 1 3 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.315 -0.992 25050 263 1 3 . 1 1 11 11 TRP H H 11 8.070 8.070 8.894 -0.824 25050 264 1 3 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.803 -0.292 25050 265 1 3 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.463 -2.762 25050 266 1 3 . 1 1 12 12 PHE H H 12 8.019 8.019 7.818 0.201 25050 267 1 3 . 1 1 13 13 SER HA H 13 4.366 4.366 4.308 0.058 25050 268 1 3 . 1 1 13 13 SER CB C 13 63.656 63.656 63.743 -0.087 25050 269 1 3 . 1 1 13 13 SER H H 13 7.860 7.860 8.004 -0.144 25050 270 1 3 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.884 -0.299 25050 271 1 3 . 1 1 14 14 GLY H H 14 7.866 7.866 8.615 -0.749 25050 272 1 3 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.909 0.396 25050 273 1 3 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.977 -0.078 25050 274 1 3 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.994 -0.297 25050 275 1 3 . 1 1 15 15 GLU H H 15 7.719 7.719 7.334 0.385 25050 276 1 3 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.067 -0.140 25050 277 1 3 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.538 0.231 25050 278 1 3 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.849 -0.407 25050 279 1 3 . 1 1 16 16 TRP H H 16 8.423 8.423 7.974 0.449 25050 280 1 3 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.782 0.274 25050 281 1 3 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.295 -4.639 25050 282 1 3 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.734 11.227 25050 283 1 3 . 1 1 17 17 CYS H H 17 8.749 8.749 8.888 -0.139 25050 284 1 3 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.499 -0.013 25050 285 1 3 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.668 13.210 25050 286 1 3 . 1 1 18 18 CYS H H 18 9.360 9.360 8.538 0.822 25050 287 1 3 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.242 -0.317 25050 288 1 3 . 1 1 19 19 GLY H H 19 8.577 8.577 8.828 -0.251 25050 289 1 3 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.489 -0.044 25050 290 1 3 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.044 -2.466 25050 291 1 3 . 1 1 20 20 ALA H H 20 8.625 8.625 8.175 0.450 25050 292 1 3 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.567 -0.199 25050 293 1 3 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.440 -1.312 25050 294 1 3 . 1 1 21 21 LEU H H 21 7.637 7.637 7.575 0.062 25050 295 1 3 . 1 1 22 22 SER HA H 22 4.712 4.712 4.742 -0.030 25050 296 1 3 . 1 1 22 22 SER CB C 22 65.549 65.549 65.588 -0.039 25050 297 1 3 . 1 1 22 22 SER H H 22 9.351 9.351 8.517 0.834 25050 298 1 3 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.725 0.163 25050 299 1 3 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.122 -3.213 25050 300 1 3 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.457 12.996 25050 301 1 3 . 1 1 23 23 CYS H H 23 8.690 8.690 8.755 -0.065 25050 302 1 3 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.802 0.066 25050 303 1 3 . 1 1 24 24 LYS CA C 24 54.213 54.213 53.967 0.247 25050 304 1 3 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.968 1.365 25050 305 1 3 . 1 1 24 24 LYS H H 24 9.202 9.202 8.376 0.826 25050 306 1 3 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.636 -0.469 25050 307 1 3 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.833 0.375 25050 308 1 3 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.421 -1.442 25050 309 1 3 . 1 1 25 25 TYR H H 25 8.912 8.912 8.557 0.355 25050 310 1 3 . 1 1 26 26 SER HA H 26 4.597 4.597 4.650 -0.053 25050 311 1 3 . 1 1 26 26 SER CB C 26 63.103 63.103 62.993 0.110 25050 312 1 3 . 1 1 26 26 SER H H 26 8.099 8.099 8.565 -0.466 25050 313 1 3 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.700 0.095 25050 314 1 3 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.767 -0.028 25050 315 1 3 . 1 1 27 27 ILE H H 27 8.475 8.475 8.431 0.044 25050 316 1 3 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.056 -0.016 25050 317 1 3 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.933 -1.299 25050 318 1 3 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.520 0.435 25050 319 1 3 . 1 1 28 28 LYS H H 28 7.774 7.774 8.488 -0.714 25050 320 1 3 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.443 -0.248 25050 321 1 3 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.319 -0.091 25050 322 1 3 . 1 1 29 29 ARG H H 29 7.301 7.301 7.514 -0.213 25050 323 1 3 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.322 -0.130 25050 324 1 3 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.401 0.228 25050 325 1 3 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.913 -0.451 25050 326 1 3 . 1 1 30 30 ASN H H 30 8.223 8.223 8.138 0.085 25050 327 1 3 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.514 0.045 25050 328 1 3 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.694 -0.383 25050 329 1 3 . 1 1 31 31 LEU H H 31 7.075 7.075 7.304 -0.229 25050 330 1 3 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.810 -0.076 25050 331 1 3 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.531 -0.593 25050 332 1 3 . 1 1 32 32 LYS H H 32 8.248 8.248 8.241 0.007 25050 333 1 3 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.057 -0.065 25050 334 1 3 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.429 0.075 25050 335 1 3 . 1 1 33 33 ILE H H 33 8.480 8.480 8.239 0.241 25050 336 1 3 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.400 -0.292 25050 337 1 3 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.423 -5.005 25050 338 1 3 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.380 11.811 25050 339 1 3 . 1 1 34 34 CYS H H 34 7.758 7.758 7.879 -0.121 25050 340 1 4 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.020 -0.097 25050 341 1 4 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.713 -3.020 25050 342 1 4 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.430 13.299 25050 343 1 4 . 1 1 2 2 CYS H H 2 8.404 8.404 7.576 0.828 25050 344 1 4 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.350 -0.421 25050 345 1 4 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.107 0.041 25050 346 1 4 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.938 -0.898 25050 347 1 4 . 1 1 3 3 ILE H H 3 8.924 8.924 8.403 0.521 25050 348 1 4 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.405 -0.436 25050 349 1 4 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.422 -0.598 25050 350 1 4 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.023 -0.020 25050 351 1 4 . 1 1 4 4 ALA H H 4 7.989 7.989 8.654 -0.665 25050 352 1 4 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.164 -0.426 25050 353 1 4 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.210 -0.146 25050 354 1 4 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.637 1.542 25050 355 1 4 . 1 1 5 5 LYS H H 5 7.690 7.690 8.537 -0.847 25050 356 1 4 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.681 -0.530 25050 357 1 4 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.047 0.852 25050 358 1 4 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.753 -4.073 25050 359 1 4 . 1 1 6 6 ASN H H 6 9.818 9.818 8.790 1.028 25050 360 1 4 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.500 0.007 25050 361 1 4 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.280 -1.191 25050 362 1 4 . 1 1 7 7 LYS H H 7 7.801 7.801 7.597 0.204 25050 363 1 4 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.503 0.196 25050 364 1 4 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.052 6.292 25050 365 1 4 . 1 1 8 8 GLU H H 8 8.370 8.370 8.474 -0.104 25050 366 1 4 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.879 -0.009 25050 367 1 4 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.618 -3.396 25050 368 1 4 . 1 1 9 9 CYS CB C 9 47.025 47.025 31.345 15.680 25050 369 1 4 . 1 1 9 9 CYS H H 9 8.157 8.157 8.277 -0.120 25050 370 1 4 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.811 -0.592 25050 371 1 4 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.946 0.088 25050 372 1 4 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.255 -1.033 25050 373 1 4 . 1 1 10 10 ALA H H 10 8.169 8.169 8.025 0.144 25050 374 1 4 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.547 0.045 25050 375 1 4 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.126 -0.803 25050 376 1 4 . 1 1 11 11 TRP H H 11 8.070 8.070 8.865 -0.795 25050 377 1 4 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.729 -0.218 25050 378 1 4 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.715 -3.014 25050 379 1 4 . 1 1 12 12 PHE H H 12 8.019 8.019 7.766 0.253 25050 380 1 4 . 1 1 13 13 SER HA H 13 4.366 4.366 4.357 0.009 25050 381 1 4 . 1 1 13 13 SER CB C 13 63.656 63.656 63.596 0.060 25050 382 1 4 . 1 1 13 13 SER H H 13 7.860 7.860 7.930 -0.070 25050 383 1 4 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.779 -0.194 25050 384 1 4 . 1 1 14 14 GLY H H 14 7.866 7.866 8.562 -0.696 25050 385 1 4 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.960 0.345 25050 386 1 4 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.626 0.273 25050 387 1 4 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.058 -0.361 25050 388 1 4 . 1 1 15 15 GLU H H 15 7.719 7.719 7.384 0.335 25050 389 1 4 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.124 -0.197 25050 390 1 4 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.498 -0.729 25050 391 1 4 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.728 -1.286 25050 392 1 4 . 1 1 16 16 TRP H H 16 8.423 8.423 7.928 0.495 25050 393 1 4 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.860 0.196 25050 394 1 4 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.280 -4.624 25050 395 1 4 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.432 11.529 25050 396 1 4 . 1 1 17 17 CYS H H 17 8.749 8.749 8.955 -0.206 25050 397 1 4 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.416 0.070 25050 398 1 4 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.373 13.505 25050 399 1 4 . 1 1 18 18 CYS H H 18 9.360 9.360 8.536 0.824 25050 400 1 4 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.243 -0.318 25050 401 1 4 . 1 1 19 19 GLY H H 19 8.577 8.577 8.834 -0.257 25050 402 1 4 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.494 -0.049 25050 403 1 4 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.088 -2.510 25050 404 1 4 . 1 1 20 20 ALA H H 20 8.625 8.625 8.194 0.431 25050 405 1 4 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.664 -0.296 25050 406 1 4 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.081 -0.955 25050 407 1 4 . 1 1 21 21 LEU H H 21 7.637 7.637 7.591 0.046 25050 408 1 4 . 1 1 22 22 SER HA H 22 4.712 4.712 4.569 0.143 25050 409 1 4 . 1 1 22 22 SER CB C 22 65.549 65.549 64.813 0.736 25050 410 1 4 . 1 1 22 22 SER H H 22 9.351 9.351 8.162 1.189 25050 411 1 4 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.874 0.014 25050 412 1 4 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.409 -3.500 25050 413 1 4 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.718 12.735 25050 414 1 4 . 1 1 23 23 CYS H H 23 8.690 8.690 8.514 0.176 25050 415 1 4 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.896 -0.028 25050 416 1 4 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.789 -0.576 25050 417 1 4 . 1 1 24 24 LYS CB C 24 36.333 36.333 36.236 0.097 25050 418 1 4 . 1 1 24 24 LYS H H 24 9.202 9.202 8.832 0.370 25050 419 1 4 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.538 -0.371 25050 420 1 4 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.137 0.071 25050 421 1 4 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.300 -1.321 25050 422 1 4 . 1 1 25 25 TYR H H 25 8.912 8.912 8.735 0.177 25050 423 1 4 . 1 1 26 26 SER HA H 26 4.597 4.597 4.668 -0.071 25050 424 1 4 . 1 1 26 26 SER CB C 26 63.103 63.103 63.043 0.060 25050 425 1 4 . 1 1 26 26 SER H H 26 8.099 8.099 8.512 -0.413 25050 426 1 4 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.827 -0.032 25050 427 1 4 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.809 -0.069 25050 428 1 4 . 1 1 27 27 ILE H H 27 8.475 8.475 8.538 -0.063 25050 429 1 4 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.069 -0.029 25050 430 1 4 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.113 -1.479 25050 431 1 4 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.562 0.393 25050 432 1 4 . 1 1 28 28 LYS H H 28 7.774 7.774 8.481 -0.707 25050 433 1 4 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.358 -0.163 25050 434 1 4 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.497 0.731 25050 435 1 4 . 1 1 29 29 ARG H H 29 7.301 7.301 7.867 -0.566 25050 436 1 4 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.294 -0.102 25050 437 1 4 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.069 0.560 25050 438 1 4 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.695 -0.233 25050 439 1 4 . 1 1 30 30 ASN H H 30 8.223 8.223 7.873 0.350 25050 440 1 4 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.517 0.042 25050 441 1 4 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.986 -0.675 25050 442 1 4 . 1 1 31 31 LEU H H 31 7.075 7.075 7.563 -0.488 25050 443 1 4 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.824 -0.090 25050 444 1 4 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.801 -0.863 25050 445 1 4 . 1 1 32 32 LYS H H 32 8.248 8.248 8.211 0.037 25050 446 1 4 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.069 -0.077 25050 447 1 4 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.390 0.114 25050 448 1 4 . 1 1 33 33 ILE H H 33 8.480 8.480 8.354 0.126 25050 449 1 4 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.393 -0.285 25050 450 1 4 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.718 -5.300 25050 451 1 4 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.172 12.019 25050 452 1 4 . 1 1 34 34 CYS H H 34 7.758 7.758 7.952 -0.194 25050 453 1 5 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.180 -0.257 25050 454 1 5 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.578 -2.885 25050 455 1 5 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.975 12.754 25050 456 1 5 . 1 1 2 2 CYS H H 2 8.404 8.404 7.939 0.465 25050 457 1 5 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.336 -0.407 25050 458 1 5 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.097 0.051 25050 459 1 5 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.974 -0.933 25050 460 1 5 . 1 1 3 3 ILE H H 3 8.924 8.924 8.401 0.523 25050 461 1 5 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.410 -0.441 25050 462 1 5 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.502 -0.678 25050 463 1 5 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.886 0.116 25050 464 1 5 . 1 1 4 4 ALA H H 4 7.989 7.989 8.632 -0.643 25050 465 1 5 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.150 -0.412 25050 466 1 5 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.185 -0.121 25050 467 1 5 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.655 1.525 25050 468 1 5 . 1 1 5 5 LYS H H 5 7.690 7.690 8.609 -0.919 25050 469 1 5 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.652 -0.501 25050 470 1 5 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.046 0.853 25050 471 1 5 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.168 -3.488 25050 472 1 5 . 1 1 6 6 ASN H H 6 9.818 9.818 8.647 1.171 25050 473 1 5 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.528 -0.021 25050 474 1 5 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.323 -1.234 25050 475 1 5 . 1 1 7 7 LYS H H 7 7.801 7.801 7.733 0.068 25050 476 1 5 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.479 0.220 25050 477 1 5 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.020 6.324 25050 478 1 5 . 1 1 8 8 GLU H H 8 8.370 8.370 8.459 -0.089 25050 479 1 5 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.867 0.003 25050 480 1 5 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.728 -3.506 25050 481 1 5 . 1 1 9 9 CYS CB C 9 47.025 47.025 31.248 15.777 25050 482 1 5 . 1 1 9 9 CYS H H 9 8.157 8.157 8.388 -0.231 25050 483 1 5 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.905 -0.686 25050 484 1 5 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.916 0.118 25050 485 1 5 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.099 -0.876 25050 486 1 5 . 1 1 10 10 ALA H H 10 8.169 8.169 8.021 0.148 25050 487 1 5 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.571 0.021 25050 488 1 5 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.071 -0.748 25050 489 1 5 . 1 1 11 11 TRP H H 11 8.070 8.070 8.930 -0.860 25050 490 1 5 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.909 -0.398 25050 491 1 5 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.214 -2.513 25050 492 1 5 . 1 1 12 12 PHE H H 12 8.019 8.019 7.885 0.134 25050 493 1 5 . 1 1 13 13 SER HA H 13 4.366 4.366 4.334 0.032 25050 494 1 5 . 1 1 13 13 SER CB C 13 63.656 63.656 63.684 -0.029 25050 495 1 5 . 1 1 13 13 SER H H 13 7.860 7.860 8.096 -0.236 25050 496 1 5 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.758 -0.173 25050 497 1 5 . 1 1 14 14 GLY H H 14 7.866 7.866 8.615 -0.749 25050 498 1 5 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.920 0.385 25050 499 1 5 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.990 -0.091 25050 500 1 5 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.183 -0.486 25050 501 1 5 . 1 1 15 15 GLU H H 15 7.719 7.719 7.332 0.387 25050 502 1 5 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.078 -0.151 25050 503 1 5 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.805 -0.036 25050 504 1 5 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.183 -0.741 25050 505 1 5 . 1 1 16 16 TRP H H 16 8.423 8.423 7.939 0.484 25050 506 1 5 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.839 0.217 25050 507 1 5 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.273 -4.617 25050 508 1 5 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.545 11.416 25050 509 1 5 . 1 1 17 17 CYS H H 17 8.749 8.749 8.960 -0.211 25050 510 1 5 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.407 0.079 25050 511 1 5 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.413 13.465 25050 512 1 5 . 1 1 18 18 CYS H H 18 9.360 9.360 8.528 0.832 25050 513 1 5 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.241 -0.316 25050 514 1 5 . 1 1 19 19 GLY H H 19 8.577 8.577 8.830 -0.253 25050 515 1 5 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.488 -0.043 25050 516 1 5 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.117 -2.539 25050 517 1 5 . 1 1 20 20 ALA H H 20 8.625 8.625 8.188 0.437 25050 518 1 5 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.595 -0.227 25050 519 1 5 . 1 1 21 21 LEU CB C 21 42.127 42.127 42.989 -0.862 25050 520 1 5 . 1 1 21 21 LEU H H 21 7.637 7.637 7.581 0.056 25050 521 1 5 . 1 1 22 22 SER HA H 22 4.712 4.712 4.586 0.126 25050 522 1 5 . 1 1 22 22 SER CB C 22 65.549 65.549 64.825 0.724 25050 523 1 5 . 1 1 22 22 SER H H 22 9.351 9.351 8.240 1.111 25050 524 1 5 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.848 0.041 25050 525 1 5 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.587 -3.678 25050 526 1 5 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.663 12.790 25050 527 1 5 . 1 1 23 23 CYS H H 23 8.690 8.690 8.546 0.144 25050 528 1 5 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.867 0.001 25050 529 1 5 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.661 -0.448 25050 530 1 5 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.907 0.426 25050 531 1 5 . 1 1 24 24 LYS H H 24 9.202 9.202 8.813 0.389 25050 532 1 5 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.553 -0.386 25050 533 1 5 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.001 0.207 25050 534 1 5 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.142 -1.163 25050 535 1 5 . 1 1 25 25 TYR H H 25 8.912 8.912 8.821 0.091 25050 536 1 5 . 1 1 26 26 SER HA H 26 4.597 4.597 4.620 -0.023 25050 537 1 5 . 1 1 26 26 SER CB C 26 63.103 63.103 63.055 0.048 25050 538 1 5 . 1 1 26 26 SER H H 26 8.099 8.099 8.398 -0.299 25050 539 1 5 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.685 0.110 25050 540 1 5 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.762 -0.022 25050 541 1 5 . 1 1 27 27 ILE H H 27 8.475 8.475 8.359 0.116 25050 542 1 5 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.046 -0.006 25050 543 1 5 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.106 -1.472 25050 544 1 5 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.608 0.347 25050 545 1 5 . 1 1 28 28 LYS H H 28 7.774 7.774 8.442 -0.668 25050 546 1 5 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.332 -0.137 25050 547 1 5 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.089 0.139 25050 548 1 5 . 1 1 29 29 ARG H H 29 7.301 7.301 7.442 -0.141 25050 549 1 5 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.328 -0.136 25050 550 1 5 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.087 0.542 25050 551 1 5 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.625 -0.163 25050 552 1 5 . 1 1 30 30 ASN H H 30 8.223 8.223 7.960 0.263 25050 553 1 5 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.507 0.052 25050 554 1 5 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.319 -0.008 25050 555 1 5 . 1 1 31 31 LEU H H 31 7.075 7.075 7.344 -0.269 25050 556 1 5 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.667 0.067 25050 557 1 5 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.819 -0.881 25050 558 1 5 . 1 1 32 32 LYS H H 32 8.248 8.248 8.218 0.030 25050 559 1 5 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.122 -0.130 25050 560 1 5 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.391 0.113 25050 561 1 5 . 1 1 33 33 ILE H H 33 8.480 8.480 8.338 0.142 25050 562 1 5 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.362 -0.254 25050 563 1 5 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.703 -5.285 25050 564 1 5 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.150 12.041 25050 565 1 5 . 1 1 34 34 CYS H H 34 7.758 7.758 7.958 -0.200 25050 566 1 6 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.873 0.050 25050 567 1 6 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.984 -3.291 25050 568 1 6 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.771 12.958 25050 569 1 6 . 1 1 2 2 CYS H H 2 8.404 8.404 8.181 0.223 25050 570 1 6 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.307 -0.378 25050 571 1 6 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.368 -0.220 25050 572 1 6 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.713 -0.673 25050 573 1 6 . 1 1 3 3 ILE H H 3 8.924 8.924 8.476 0.448 25050 574 1 6 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.400 -0.431 25050 575 1 6 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.423 -0.599 25050 576 1 6 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.053 -0.051 25050 577 1 6 . 1 1 4 4 ALA H H 4 7.989 7.989 8.658 -0.669 25050 578 1 6 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.169 -0.431 25050 579 1 6 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.180 -0.116 25050 580 1 6 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.563 1.617 25050 581 1 6 . 1 1 5 5 LYS H H 5 7.690 7.690 8.538 -0.848 25050 582 1 6 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.636 -0.485 25050 583 1 6 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.022 0.877 25050 584 1 6 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.235 -3.555 25050 585 1 6 . 1 1 6 6 ASN H H 6 9.818 9.818 8.634 1.184 25050 586 1 6 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.512 -0.005 25050 587 1 6 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.336 -1.247 25050 588 1 6 . 1 1 7 7 LYS H H 7 7.801 7.801 7.694 0.107 25050 589 1 6 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.561 0.138 25050 590 1 6 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.243 6.101 25050 591 1 6 . 1 1 8 8 GLU H H 8 8.370 8.370 8.517 -0.147 25050 592 1 6 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.896 -0.026 25050 593 1 6 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.197 -2.975 25050 594 1 6 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.243 16.782 25050 595 1 6 . 1 1 9 9 CYS H H 9 8.157 8.157 7.964 0.193 25050 596 1 6 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.686 -0.467 25050 597 1 6 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.862 0.172 25050 598 1 6 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.410 -0.188 25050 599 1 6 . 1 1 10 10 ALA H H 10 8.169 8.169 8.262 -0.093 25050 600 1 6 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.388 0.204 25050 601 1 6 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.128 -0.805 25050 602 1 6 . 1 1 11 11 TRP H H 11 8.070 8.070 8.863 -0.793 25050 603 1 6 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.794 -0.283 25050 604 1 6 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.188 -2.487 25050 605 1 6 . 1 1 12 12 PHE H H 12 8.019 8.019 7.773 0.246 25050 606 1 6 . 1 1 13 13 SER HA H 13 4.366 4.366 4.341 0.025 25050 607 1 6 . 1 1 13 13 SER CB C 13 63.656 63.656 63.870 -0.214 25050 608 1 6 . 1 1 13 13 SER H H 13 7.860 7.860 8.129 -0.269 25050 609 1 6 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.959 -0.374 25050 610 1 6 . 1 1 14 14 GLY H H 14 7.866 7.866 8.616 -0.750 25050 611 1 6 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.705 -0.400 25050 612 1 6 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.246 -0.347 25050 613 1 6 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.601 -0.904 25050 614 1 6 . 1 1 15 15 GLU H H 15 7.719 7.719 7.486 0.233 25050 615 1 6 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.050 -0.123 25050 616 1 6 . 1 1 16 16 TRP CA C 16 54.769 54.769 56.376 -1.607 25050 617 1 6 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.548 -1.106 25050 618 1 6 . 1 1 16 16 TRP H H 16 8.423 8.423 8.224 0.199 25050 619 1 6 . 1 1 17 17 CYS HA H 17 5.056 5.056 5.034 0.022 25050 620 1 6 . 1 1 17 17 CYS CA C 17 54.656 54.656 58.977 -4.321 25050 621 1 6 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.525 11.436 25050 622 1 6 . 1 1 17 17 CYS H H 17 8.749 8.749 8.871 -0.122 25050 623 1 6 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.456 0.030 25050 624 1 6 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.657 13.220 25050 625 1 6 . 1 1 18 18 CYS H H 18 9.360 9.360 8.565 0.795 25050 626 1 6 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.166 -0.241 25050 627 1 6 . 1 1 19 19 GLY H H 19 8.577 8.577 8.805 -0.228 25050 628 1 6 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.547 -0.102 25050 629 1 6 . 1 1 20 20 ALA CB C 20 17.578 17.578 19.987 -2.409 25050 630 1 6 . 1 1 20 20 ALA H H 20 8.625 8.625 8.190 0.435 25050 631 1 6 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.648 -0.280 25050 632 1 6 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.200 -1.073 25050 633 1 6 . 1 1 21 21 LEU H H 21 7.637 7.637 7.599 0.038 25050 634 1 6 . 1 1 22 22 SER HA H 22 4.712 4.712 4.638 0.074 25050 635 1 6 . 1 1 22 22 SER CB C 22 65.549 65.549 65.294 0.255 25050 636 1 6 . 1 1 22 22 SER H H 22 9.351 9.351 8.143 1.208 25050 637 1 6 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.593 0.295 25050 638 1 6 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.357 -3.448 25050 639 1 6 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.053 13.400 25050 640 1 6 . 1 1 23 23 CYS H H 23 8.690 8.690 8.492 0.198 25050 641 1 6 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.783 0.085 25050 642 1 6 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.073 0.140 25050 643 1 6 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.788 1.545 25050 644 1 6 . 1 1 24 24 LYS H H 24 9.202 9.202 8.229 0.973 25050 645 1 6 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.485 -0.318 25050 646 1 6 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.884 0.324 25050 647 1 6 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.587 -1.608 25050 648 1 6 . 1 1 25 25 TYR H H 25 8.912 8.912 8.554 0.358 25050 649 1 6 . 1 1 26 26 SER HA H 26 4.597 4.597 4.633 -0.036 25050 650 1 6 . 1 1 26 26 SER CB C 26 63.103 63.103 63.066 0.037 25050 651 1 6 . 1 1 26 26 SER H H 26 8.099 8.099 8.512 -0.413 25050 652 1 6 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.761 0.034 25050 653 1 6 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.715 0.025 25050 654 1 6 . 1 1 27 27 ILE H H 27 8.475 8.475 8.457 0.018 25050 655 1 6 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.043 -0.003 25050 656 1 6 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.111 -1.477 25050 657 1 6 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.612 0.343 25050 658 1 6 . 1 1 28 28 LYS H H 28 7.774 7.774 8.435 -0.661 25050 659 1 6 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.353 -0.158 25050 660 1 6 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.049 0.179 25050 661 1 6 . 1 1 29 29 ARG H H 29 7.301 7.301 7.463 -0.162 25050 662 1 6 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.303 -0.111 25050 663 1 6 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.224 0.405 25050 664 1 6 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.596 -0.134 25050 665 1 6 . 1 1 30 30 ASN H H 30 8.223 8.223 8.019 0.204 25050 666 1 6 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.602 -0.043 25050 667 1 6 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.139 0.172 25050 668 1 6 . 1 1 31 31 LEU H H 31 7.075 7.075 7.397 -0.322 25050 669 1 6 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.782 -0.048 25050 670 1 6 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.527 -0.589 25050 671 1 6 . 1 1 32 32 LYS H H 32 8.248 8.248 8.221 0.027 25050 672 1 6 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.936 0.056 25050 673 1 6 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.431 0.073 25050 674 1 6 . 1 1 33 33 ILE H H 33 8.480 8.480 8.165 0.315 25050 675 1 6 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.358 -0.250 25050 676 1 6 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.380 -4.962 25050 677 1 6 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.672 11.519 25050 678 1 6 . 1 1 34 34 CYS H H 34 7.758 7.758 7.921 -0.163 25050 679 1 7 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.181 -0.258 25050 680 1 7 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.968 -3.275 25050 681 1 7 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.196 12.533 25050 682 1 7 . 1 1 2 2 CYS H H 2 8.404 8.404 8.057 0.347 25050 683 1 7 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.285 -0.356 25050 684 1 7 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.296 -0.148 25050 685 1 7 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.414 -0.374 25050 686 1 7 . 1 1 3 3 ILE H H 3 8.924 8.924 8.352 0.572 25050 687 1 7 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.395 -0.426 25050 688 1 7 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.447 -0.622 25050 689 1 7 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.066 -0.064 25050 690 1 7 . 1 1 4 4 ALA H H 4 7.989 7.989 8.644 -0.655 25050 691 1 7 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.158 -0.420 25050 692 1 7 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.077 -0.013 25050 693 1 7 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.430 1.750 25050 694 1 7 . 1 1 5 5 LYS H H 5 7.690 7.690 8.465 -0.775 25050 695 1 7 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.637 -0.486 25050 696 1 7 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.033 0.866 25050 697 1 7 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.173 -3.493 25050 698 1 7 . 1 1 6 6 ASN H H 6 9.818 9.818 8.668 1.150 25050 699 1 7 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.520 -0.013 25050 700 1 7 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.441 -1.352 25050 701 1 7 . 1 1 7 7 LYS H H 7 7.801 7.801 7.728 0.073 25050 702 1 7 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.495 0.204 25050 703 1 7 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.179 6.165 25050 704 1 7 . 1 1 8 8 GLU H H 8 8.370 8.370 8.541 -0.171 25050 705 1 7 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.934 -0.064 25050 706 1 7 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.605 -3.383 25050 707 1 7 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.361 16.664 25050 708 1 7 . 1 1 9 9 CYS H H 9 8.157 8.157 8.273 -0.116 25050 709 1 7 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.729 -0.510 25050 710 1 7 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.834 0.200 25050 711 1 7 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.203 -0.981 25050 712 1 7 . 1 1 10 10 ALA H H 10 8.169 8.169 8.263 -0.094 25050 713 1 7 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.466 0.126 25050 714 1 7 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.344 -1.021 25050 715 1 7 . 1 1 11 11 TRP H H 11 8.070 8.070 8.844 -0.774 25050 716 1 7 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.736 -0.225 25050 717 1 7 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.732 -3.031 25050 718 1 7 . 1 1 12 12 PHE H H 12 8.019 8.019 7.716 0.303 25050 719 1 7 . 1 1 13 13 SER HA H 13 4.366 4.366 4.310 0.056 25050 720 1 7 . 1 1 13 13 SER CB C 13 63.656 63.656 63.768 -0.112 25050 721 1 7 . 1 1 13 13 SER H H 13 7.860 7.860 8.041 -0.181 25050 722 1 7 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.851 -0.266 25050 723 1 7 . 1 1 14 14 GLY H H 14 7.866 7.866 8.645 -0.779 25050 724 1 7 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.127 0.178 25050 725 1 7 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.613 0.286 25050 726 1 7 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.972 -0.275 25050 727 1 7 . 1 1 15 15 GLU H H 15 7.719 7.719 7.571 0.148 25050 728 1 7 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.139 -0.212 25050 729 1 7 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.636 -0.867 25050 730 1 7 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.521 -1.079 25050 731 1 7 . 1 1 16 16 TRP H H 16 8.423 8.423 8.008 0.415 25050 732 1 7 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.743 0.313 25050 733 1 7 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.408 -4.753 25050 734 1 7 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.482 11.479 25050 735 1 7 . 1 1 17 17 CYS H H 17 8.749 8.749 8.876 -0.127 25050 736 1 7 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.489 -0.003 25050 737 1 7 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.649 13.229 25050 738 1 7 . 1 1 18 18 CYS H H 18 9.360 9.360 8.518 0.842 25050 739 1 7 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.255 -0.330 25050 740 1 7 . 1 1 19 19 GLY H H 19 8.577 8.577 8.798 -0.221 25050 741 1 7 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.495 -0.050 25050 742 1 7 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.006 -2.428 25050 743 1 7 . 1 1 20 20 ALA H H 20 8.625 8.625 8.173 0.452 25050 744 1 7 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.533 -0.165 25050 745 1 7 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.317 -1.190 25050 746 1 7 . 1 1 21 21 LEU H H 21 7.637 7.637 7.601 0.036 25050 747 1 7 . 1 1 22 22 SER HA H 22 4.712 4.712 4.728 -0.016 25050 748 1 7 . 1 1 22 22 SER CB C 22 65.549 65.549 65.036 0.513 25050 749 1 7 . 1 1 22 22 SER H H 22 9.351 9.351 8.534 0.817 25050 750 1 7 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.645 0.243 25050 751 1 7 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.295 -3.386 25050 752 1 7 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.870 12.583 25050 753 1 7 . 1 1 23 23 CYS H H 23 8.690 8.690 8.491 0.199 25050 754 1 7 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.740 0.128 25050 755 1 7 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.245 -0.032 25050 756 1 7 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.440 0.893 25050 757 1 7 . 1 1 24 24 LYS H H 24 9.202 9.202 8.380 0.822 25050 758 1 7 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.477 -0.310 25050 759 1 7 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.898 0.310 25050 760 1 7 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.729 -1.750 25050 761 1 7 . 1 1 25 25 TYR H H 25 8.912 8.912 8.581 0.331 25050 762 1 7 . 1 1 26 26 SER HA H 26 4.597 4.597 4.672 -0.075 25050 763 1 7 . 1 1 26 26 SER CB C 26 63.103 63.103 63.145 -0.042 25050 764 1 7 . 1 1 26 26 SER H H 26 8.099 8.099 8.523 -0.424 25050 765 1 7 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.826 -0.031 25050 766 1 7 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.941 -0.201 25050 767 1 7 . 1 1 27 27 ILE H H 27 8.475 8.475 8.577 -0.102 25050 768 1 7 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050 769 1 7 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.297 -1.663 25050 770 1 7 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.568 0.387 25050 771 1 7 . 1 1 28 28 LYS H H 28 7.774 7.774 8.409 -0.635 25050 772 1 7 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.372 -0.177 25050 773 1 7 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.724 0.504 25050 774 1 7 . 1 1 29 29 ARG H H 29 7.301 7.301 7.966 -0.665 25050 775 1 7 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.294 -0.102 25050 776 1 7 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.178 0.452 25050 777 1 7 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.564 -0.102 25050 778 1 7 . 1 1 30 30 ASN H H 30 8.223 8.223 7.916 0.307 25050 779 1 7 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.579 -0.020 25050 780 1 7 . 1 1 31 31 LEU CB C 31 46.311 46.311 45.968 0.343 25050 781 1 7 . 1 1 31 31 LEU H H 31 7.075 7.075 7.486 -0.411 25050 782 1 7 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.787 -0.053 25050 783 1 7 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.740 -0.802 25050 784 1 7 . 1 1 32 32 LYS H H 32 8.248 8.248 8.233 0.015 25050 785 1 7 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.048 -0.056 25050 786 1 7 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.410 0.094 25050 787 1 7 . 1 1 33 33 ILE H H 33 8.480 8.480 8.181 0.299 25050 788 1 7 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.292 -0.184 25050 789 1 7 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.581 -5.163 25050 790 1 7 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.304 11.887 25050 791 1 7 . 1 1 34 34 CYS H H 34 7.758 7.758 7.946 -0.188 25050 792 1 8 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.268 -0.345 25050 793 1 8 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.505 -2.812 25050 794 1 8 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.373 12.356 25050 795 1 8 . 1 1 2 2 CYS H H 2 8.404 8.404 8.298 0.106 25050 796 1 8 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.369 -0.440 25050 797 1 8 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.327 -0.179 25050 798 1 8 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.297 -0.257 25050 799 1 8 . 1 1 3 3 ILE H H 3 8.924 8.924 8.296 0.628 25050 800 1 8 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.403 -0.434 25050 801 1 8 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.426 -0.602 25050 802 1 8 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.031 -0.029 25050 803 1 8 . 1 1 4 4 ALA H H 4 7.989 7.989 8.661 -0.672 25050 804 1 8 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.156 -0.418 25050 805 1 8 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.392 -0.327 25050 806 1 8 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.558 1.622 25050 807 1 8 . 1 1 5 5 LYS H H 5 7.690 7.690 8.595 -0.905 25050 808 1 8 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.696 -0.545 25050 809 1 8 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.833 1.066 25050 810 1 8 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.604 -3.924 25050 811 1 8 . 1 1 6 6 ASN H H 6 9.818 9.818 8.610 1.208 25050 812 1 8 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.519 -0.012 25050 813 1 8 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.262 -1.173 25050 814 1 8 . 1 1 7 7 LYS H H 7 7.801 7.801 7.695 0.106 25050 815 1 8 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.457 0.242 25050 816 1 8 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.164 6.180 25050 817 1 8 . 1 1 8 8 GLU H H 8 8.370 8.370 8.567 -0.197 25050 818 1 8 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.789 0.081 25050 819 1 8 . 1 1 9 9 CYS CA C 9 53.222 53.222 57.055 -3.833 25050 820 1 8 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.427 16.598 25050 821 1 8 . 1 1 9 9 CYS H H 9 8.157 8.157 7.967 0.190 25050 822 1 8 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.640 -0.421 25050 823 1 8 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.229 -0.195 25050 824 1 8 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.629 -0.407 25050 825 1 8 . 1 1 10 10 ALA H H 10 8.169 8.169 8.181 -0.012 25050 826 1 8 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.310 0.282 25050 827 1 8 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.268 -0.945 25050 828 1 8 . 1 1 11 11 TRP H H 11 8.070 8.070 8.740 -0.670 25050 829 1 8 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.675 -0.164 25050 830 1 8 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.105 -2.404 25050 831 1 8 . 1 1 12 12 PHE H H 12 8.019 8.019 7.577 0.442 25050 832 1 8 . 1 1 13 13 SER HA H 13 4.366 4.366 4.357 0.009 25050 833 1 8 . 1 1 13 13 SER CB C 13 63.656 63.656 63.878 -0.222 25050 834 1 8 . 1 1 13 13 SER H H 13 7.860 7.860 8.084 -0.224 25050 835 1 8 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.963 -0.378 25050 836 1 8 . 1 1 14 14 GLY H H 14 7.866 7.866 8.551 -0.685 25050 837 1 8 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.855 -0.550 25050 838 1 8 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.947 -0.049 25050 839 1 8 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.432 -0.735 25050 840 1 8 . 1 1 15 15 GLU H H 15 7.719 7.719 7.636 0.083 25050 841 1 8 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.054 -0.127 25050 842 1 8 . 1 1 16 16 TRP CA C 16 54.769 54.769 56.769 -2.000 25050 843 1 8 . 1 1 16 16 TRP CB C 16 30.442 30.442 32.050 -1.608 25050 844 1 8 . 1 1 16 16 TRP H H 16 8.423 8.423 8.291 0.132 25050 845 1 8 . 1 1 17 17 CYS HA H 17 5.056 5.056 5.110 -0.054 25050 846 1 8 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.041 -4.385 25050 847 1 8 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.386 11.575 25050 848 1 8 . 1 1 17 17 CYS H H 17 8.749 8.749 8.913 -0.164 25050 849 1 8 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.417 0.069 25050 850 1 8 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.484 13.394 25050 851 1 8 . 1 1 18 18 CYS H H 18 9.360 9.360 8.555 0.805 25050 852 1 8 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.193 -0.268 25050 853 1 8 . 1 1 19 19 GLY H H 19 8.577 8.577 8.844 -0.267 25050 854 1 8 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.541 -0.096 25050 855 1 8 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.111 -2.533 25050 856 1 8 . 1 1 20 20 ALA H H 20 8.625 8.625 8.212 0.413 25050 857 1 8 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.652 -0.284 25050 858 1 8 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.796 -1.669 25050 859 1 8 . 1 1 21 21 LEU H H 21 7.637 7.637 7.541 0.096 25050 860 1 8 . 1 1 22 22 SER HA H 22 4.712 4.712 4.687 0.025 25050 861 1 8 . 1 1 22 22 SER CB C 22 65.549 65.549 64.804 0.745 25050 862 1 8 . 1 1 22 22 SER H H 22 9.351 9.351 8.481 0.870 25050 863 1 8 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.687 0.201 25050 864 1 8 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.581 -3.672 25050 865 1 8 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.179 13.274 25050 866 1 8 . 1 1 23 23 CYS H H 23 8.690 8.690 8.527 0.163 25050 867 1 8 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.719 0.149 25050 868 1 8 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.071 0.142 25050 869 1 8 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.197 1.136 25050 870 1 8 . 1 1 24 24 LYS H H 24 9.202 9.202 8.226 0.976 25050 871 1 8 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.535 -0.368 25050 872 1 8 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.781 0.427 25050 873 1 8 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.504 -1.525 25050 874 1 8 . 1 1 25 25 TYR H H 25 8.912 8.912 8.555 0.357 25050 875 1 8 . 1 1 26 26 SER HA H 26 4.597 4.597 4.658 -0.061 25050 876 1 8 . 1 1 26 26 SER CB C 26 63.103 63.103 63.174 -0.071 25050 877 1 8 . 1 1 26 26 SER H H 26 8.099 8.099 8.580 -0.481 25050 878 1 8 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.758 0.037 25050 879 1 8 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.963 -0.223 25050 880 1 8 . 1 1 27 27 ILE H H 27 8.475 8.475 8.527 -0.052 25050 881 1 8 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.029 0.011 25050 882 1 8 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.309 -1.675 25050 883 1 8 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.796 0.159 25050 884 1 8 . 1 1 28 28 LYS H H 28 7.774 7.774 8.383 -0.609 25050 885 1 8 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.366 -0.171 25050 886 1 8 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.181 0.047 25050 887 1 8 . 1 1 29 29 ARG H H 29 7.301 7.301 7.506 -0.205 25050 888 1 8 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.266 -0.074 25050 889 1 8 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.064 0.565 25050 890 1 8 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.711 -0.249 25050 891 1 8 . 1 1 30 30 ASN H H 30 8.223 8.223 7.981 0.242 25050 892 1 8 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.518 0.041 25050 893 1 8 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.972 -0.661 25050 894 1 8 . 1 1 31 31 LEU H H 31 7.075 7.075 7.460 -0.385 25050 895 1 8 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.764 -0.030 25050 896 1 8 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.483 -0.545 25050 897 1 8 . 1 1 32 32 LYS H H 32 8.248 8.248 8.229 0.019 25050 898 1 8 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.921 0.071 25050 899 1 8 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.452 0.052 25050 900 1 8 . 1 1 33 33 ILE H H 33 8.480 8.480 8.132 0.348 25050 901 1 8 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.199 -0.091 25050 902 1 8 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.989 -5.571 25050 903 1 8 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.134 12.057 25050 904 1 8 . 1 1 34 34 CYS H H 34 7.758 7.758 7.870 -0.112 25050 905 1 9 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.433 -0.510 25050 906 1 9 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.293 -2.600 25050 907 1 9 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.099 12.630 25050 908 1 9 . 1 1 2 2 CYS H H 2 8.404 8.404 7.870 0.534 25050 909 1 9 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.323 -0.394 25050 910 1 9 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.130 0.018 25050 911 1 9 . 1 1 3 3 ILE CB C 3 38.040 38.040 39.022 -0.982 25050 912 1 9 . 1 1 3 3 ILE H H 3 8.924 8.924 8.584 0.340 25050 913 1 9 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.395 -0.426 25050 914 1 9 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.448 -0.624 25050 915 1 9 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.053 -0.051 25050 916 1 9 . 1 1 4 4 ALA H H 4 7.989 7.989 8.650 -0.661 25050 917 1 9 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.170 -0.432 25050 918 1 9 . 1 1 5 5 LYS CA C 5 57.064 57.064 56.977 0.087 25050 919 1 9 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.353 1.827 25050 920 1 9 . 1 1 5 5 LYS H H 5 7.690 7.690 8.464 -0.774 25050 921 1 9 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.635 -0.484 25050 922 1 9 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.044 0.855 25050 923 1 9 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.157 -3.477 25050 924 1 9 . 1 1 6 6 ASN H H 6 9.818 9.818 8.653 1.165 25050 925 1 9 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.511 -0.004 25050 926 1 9 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.446 -1.357 25050 927 1 9 . 1 1 7 7 LYS H H 7 7.801 7.801 7.702 0.099 25050 928 1 9 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.461 0.238 25050 929 1 9 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.124 6.220 25050 930 1 9 . 1 1 8 8 GLU H H 8 8.370 8.370 8.517 -0.147 25050 931 1 9 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.709 0.161 25050 932 1 9 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.481 -5.259 25050 933 1 9 . 1 1 9 9 CYS CB C 9 47.025 47.025 28.834 18.191 25050 934 1 9 . 1 1 9 9 CYS H H 9 8.157 8.157 8.495 -0.338 25050 935 1 9 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.702 -0.483 25050 936 1 9 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.339 -0.305 25050 937 1 9 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.983 0.239 25050 938 1 9 . 1 1 10 10 ALA H H 10 8.169 8.169 8.171 -0.002 25050 939 1 9 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.547 0.045 25050 940 1 9 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.351 -1.028 25050 941 1 9 . 1 1 11 11 TRP H H 11 8.070 8.070 8.826 -0.756 25050 942 1 9 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.783 -0.272 25050 943 1 9 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.336 -2.635 25050 944 1 9 . 1 1 12 12 PHE H H 12 8.019 8.019 7.832 0.187 25050 945 1 9 . 1 1 13 13 SER HA H 13 4.366 4.366 4.322 0.044 25050 946 1 9 . 1 1 13 13 SER CB C 13 63.656 63.656 63.638 0.018 25050 947 1 9 . 1 1 13 13 SER H H 13 7.860 7.860 7.922 -0.062 25050 948 1 9 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.877 -0.292 25050 949 1 9 . 1 1 14 14 GLY H H 14 7.866 7.866 8.556 -0.690 25050 950 1 9 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.931 0.374 25050 951 1 9 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.827 0.072 25050 952 1 9 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.909 -0.212 25050 953 1 9 . 1 1 15 15 GLU H H 15 7.719 7.719 7.392 0.327 25050 954 1 9 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.087 -0.160 25050 955 1 9 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.262 -0.493 25050 956 1 9 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.263 -0.821 25050 957 1 9 . 1 1 16 16 TRP H H 16 8.423 8.423 8.039 0.385 25050 958 1 9 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.816 0.240 25050 959 1 9 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.295 -4.639 25050 960 1 9 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.679 11.282 25050 961 1 9 . 1 1 17 17 CYS H H 17 8.749 8.749 8.890 -0.141 25050 962 1 9 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.504 -0.018 25050 963 1 9 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.614 13.264 25050 964 1 9 . 1 1 18 18 CYS H H 18 9.360 9.360 8.561 0.799 25050 965 1 9 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.240 -0.315 25050 966 1 9 . 1 1 19 19 GLY H H 19 8.577 8.577 8.843 -0.266 25050 967 1 9 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.491 -0.046 25050 968 1 9 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.096 -2.518 25050 969 1 9 . 1 1 20 20 ALA H H 20 8.625 8.625 8.177 0.448 25050 970 1 9 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.537 -0.169 25050 971 1 9 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.420 -1.293 25050 972 1 9 . 1 1 21 21 LEU H H 21 7.637 7.637 7.538 0.099 25050 973 1 9 . 1 1 22 22 SER HA H 22 4.712 4.712 4.752 -0.040 25050 974 1 9 . 1 1 22 22 SER CB C 22 65.549 65.549 65.858 -0.309 25050 975 1 9 . 1 1 22 22 SER H H 22 9.351 9.351 8.474 0.877 25050 976 1 9 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.670 0.218 25050 977 1 9 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.659 -3.750 25050 978 1 9 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.061 13.393 25050 979 1 9 . 1 1 23 23 CYS H H 23 8.690 8.690 8.782 -0.092 25050 980 1 9 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.783 0.085 25050 981 1 9 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.007 0.206 25050 982 1 9 . 1 1 24 24 LYS CB C 24 36.333 36.333 34.849 1.484 25050 983 1 9 . 1 1 24 24 LYS H H 24 9.202 9.202 8.375 0.827 25050 984 1 9 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.608 -0.441 25050 985 1 9 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.888 0.320 25050 986 1 9 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.551 -1.572 25050 987 1 9 . 1 1 25 25 TYR H H 25 8.912 8.912 8.578 0.334 25050 988 1 9 . 1 1 26 26 SER HA H 26 4.597 4.597 4.646 -0.049 25050 989 1 9 . 1 1 26 26 SER CB C 26 63.103 63.103 62.822 0.281 25050 990 1 9 . 1 1 26 26 SER H H 26 8.099 8.099 8.550 -0.451 25050 991 1 9 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.676 0.119 25050 992 1 9 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.782 -0.042 25050 993 1 9 . 1 1 27 27 ILE H H 27 8.475 8.475 8.310 0.165 25050 994 1 9 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.038 0.002 25050 995 1 9 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.126 -1.492 25050 996 1 9 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.643 0.312 25050 997 1 9 . 1 1 28 28 LYS H H 28 7.774 7.774 8.470 -0.696 25050 998 1 9 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.369 -0.174 25050 999 1 9 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.104 0.124 25050 1000 1 9 . 1 1 29 29 ARG H H 29 7.301 7.301 7.533 -0.232 25050 1001 1 9 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.342 -0.150 25050 1002 1 9 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.366 0.263 25050 1003 1 9 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.881 -0.419 25050 1004 1 9 . 1 1 30 30 ASN H H 30 8.223 8.223 8.115 0.108 25050 1005 1 9 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.510 0.049 25050 1006 1 9 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.686 -0.375 25050 1007 1 9 . 1 1 31 31 LEU H H 31 7.075 7.075 7.305 -0.230 25050 1008 1 9 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.807 -0.073 25050 1009 1 9 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.607 -0.669 25050 1010 1 9 . 1 1 32 32 LYS H H 32 8.248 8.248 8.246 0.002 25050 1011 1 9 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.120 -0.128 25050 1012 1 9 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.358 0.145 25050 1013 1 9 . 1 1 33 33 ILE H H 33 8.480 8.480 8.257 0.223 25050 1014 1 9 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.312 -0.204 25050 1015 1 9 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.522 -5.104 25050 1016 1 9 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.466 11.725 25050 1017 1 9 . 1 1 34 34 CYS H H 34 7.758 7.758 7.859 -0.101 25050 1018 1 10 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.019 -0.096 25050 1019 1 10 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.528 -3.835 25050 1020 1 10 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.751 12.978 25050 1021 1 10 . 1 1 2 2 CYS H H 2 8.404 8.404 8.180 0.224 25050 1022 1 10 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.336 -0.407 25050 1023 1 10 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.356 -0.208 25050 1024 1 10 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.753 -0.713 25050 1025 1 10 . 1 1 3 3 ILE H H 3 8.924 8.924 8.319 0.605 25050 1026 1 10 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.392 -0.423 25050 1027 1 10 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.464 -0.640 25050 1028 1 10 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.054 -0.052 25050 1029 1 10 . 1 1 4 4 ALA H H 4 7.989 7.989 8.656 -0.667 25050 1030 1 10 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.175 -0.437 25050 1031 1 10 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.179 -0.115 25050 1032 1 10 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.479 1.701 25050 1033 1 10 . 1 1 5 5 LYS H H 5 7.690 7.690 8.490 -0.800 25050 1034 1 10 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.682 -0.531 25050 1035 1 10 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.084 0.815 25050 1036 1 10 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.648 -3.968 25050 1037 1 10 . 1 1 6 6 ASN H H 6 9.818 9.818 8.780 1.038 25050 1038 1 10 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.476 0.031 25050 1039 1 10 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.264 -1.175 25050 1040 1 10 . 1 1 7 7 LYS H H 7 7.801 7.801 7.552 0.249 25050 1041 1 10 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.573 0.126 25050 1042 1 10 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.275 6.069 25050 1043 1 10 . 1 1 8 8 GLU H H 8 8.370 8.370 8.522 -0.152 25050 1044 1 10 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.911 -0.041 25050 1045 1 10 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.178 -2.956 25050 1046 1 10 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.340 16.685 25050 1047 1 10 . 1 1 9 9 CYS H H 9 8.157 8.157 7.998 0.159 25050 1048 1 10 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.722 -0.503 25050 1049 1 10 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.057 -0.023 25050 1050 1 10 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.151 0.071 25050 1051 1 10 . 1 1 10 10 ALA H H 10 8.169 8.169 8.339 -0.170 25050 1052 1 10 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.544 0.048 25050 1053 1 10 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.108 -0.784 25050 1054 1 10 . 1 1 11 11 TRP H H 11 8.070 8.070 8.930 -0.860 25050 1055 1 10 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.776 -0.265 25050 1056 1 10 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.234 -2.533 25050 1057 1 10 . 1 1 12 12 PHE H H 12 8.019 8.019 7.835 0.184 25050 1058 1 10 . 1 1 13 13 SER HA H 13 4.366 4.366 4.345 0.021 25050 1059 1 10 . 1 1 13 13 SER CB C 13 63.656 63.656 63.620 0.036 25050 1060 1 10 . 1 1 13 13 SER H H 13 7.860 7.860 8.001 -0.141 25050 1061 1 10 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.883 -0.298 25050 1062 1 10 . 1 1 14 14 GLY H H 14 7.866 7.866 8.534 -0.668 25050 1063 1 10 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.936 0.369 25050 1064 1 10 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.595 0.304 25050 1065 1 10 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.913 -0.216 25050 1066 1 10 . 1 1 15 15 GLU H H 15 7.719 7.719 7.387 0.332 25050 1067 1 10 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.132 -0.205 25050 1068 1 10 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.491 -0.722 25050 1069 1 10 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.481 -1.039 25050 1070 1 10 . 1 1 16 16 TRP H H 16 8.423 8.423 7.934 0.489 25050 1071 1 10 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.813 0.243 25050 1072 1 10 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.375 -4.719 25050 1073 1 10 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.392 11.569 25050 1074 1 10 . 1 1 17 17 CYS H H 17 8.749 8.749 8.866 -0.117 25050 1075 1 10 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.498 -0.012 25050 1076 1 10 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.646 13.232 25050 1077 1 10 . 1 1 18 18 CYS H H 18 9.360 9.360 8.545 0.815 25050 1078 1 10 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.215 -0.290 25050 1079 1 10 . 1 1 19 19 GLY H H 19 8.577 8.577 8.803 -0.226 25050 1080 1 10 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.515 -0.070 25050 1081 1 10 . 1 1 20 20 ALA CB C 20 17.578 17.578 19.959 -2.381 25050 1082 1 10 . 1 1 20 20 ALA H H 20 8.625 8.625 8.157 0.468 25050 1083 1 10 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.564 -0.196 25050 1084 1 10 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.100 -0.973 25050 1085 1 10 . 1 1 21 21 LEU H H 21 7.637 7.637 7.513 0.124 25050 1086 1 10 . 1 1 22 22 SER HA H 22 4.712 4.712 4.694 0.018 25050 1087 1 10 . 1 1 22 22 SER CB C 22 65.549 65.549 65.200 0.349 25050 1088 1 10 . 1 1 22 22 SER H H 22 9.351 9.351 8.404 0.947 25050 1089 1 10 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.591 0.297 25050 1090 1 10 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.521 -3.612 25050 1091 1 10 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.270 13.183 25050 1092 1 10 . 1 1 23 23 CYS H H 23 8.690 8.690 8.526 0.164 25050 1093 1 10 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.805 0.063 25050 1094 1 10 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.078 0.135 25050 1095 1 10 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.014 1.319 25050 1096 1 10 . 1 1 24 24 LYS H H 24 9.202 9.202 8.473 0.729 25050 1097 1 10 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.670 -0.503 25050 1098 1 10 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.786 0.422 25050 1099 1 10 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.430 -1.451 25050 1100 1 10 . 1 1 25 25 TYR H H 25 8.912 8.912 8.587 0.325 25050 1101 1 10 . 1 1 26 26 SER HA H 26 4.597 4.597 4.651 -0.054 25050 1102 1 10 . 1 1 26 26 SER CB C 26 63.103 63.103 63.172 -0.069 25050 1103 1 10 . 1 1 26 26 SER H H 26 8.099 8.099 8.564 -0.465 25050 1104 1 10 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.736 0.059 25050 1105 1 10 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.728 0.012 25050 1106 1 10 . 1 1 27 27 ILE H H 27 8.475 8.475 8.515 -0.040 25050 1107 1 10 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.056 -0.016 25050 1108 1 10 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.940 -1.306 25050 1109 1 10 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.527 0.428 25050 1110 1 10 . 1 1 28 28 LYS H H 28 7.774 7.774 8.496 -0.722 25050 1111 1 10 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.458 -0.263 25050 1112 1 10 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.205 0.023 25050 1113 1 10 . 1 1 29 29 ARG H H 29 7.301 7.301 7.505 -0.204 25050 1114 1 10 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.277 -0.085 25050 1115 1 10 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.369 0.260 25050 1116 1 10 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.830 -0.368 25050 1117 1 10 . 1 1 30 30 ASN H H 30 8.223 8.223 8.037 0.186 25050 1118 1 10 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.540 0.019 25050 1119 1 10 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.229 0.082 25050 1120 1 10 . 1 1 31 31 LEU H H 31 7.075 7.075 7.326 -0.251 25050 1121 1 10 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.828 -0.094 25050 1122 1 10 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.566 -0.628 25050 1123 1 10 . 1 1 32 32 LYS H H 32 8.248 8.248 8.230 0.018 25050 1124 1 10 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.957 0.035 25050 1125 1 10 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.446 0.058 25050 1126 1 10 . 1 1 33 33 ILE H H 33 8.480 8.480 8.250 0.230 25050 1127 1 10 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.434 -0.326 25050 1128 1 10 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.288 -4.870 25050 1129 1 10 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.453 11.738 25050 1130 1 10 . 1 1 34 34 CYS H H 34 7.758 7.758 7.903 -0.145 25050 1131 1 11 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.140 -0.217 25050 1132 1 11 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.544 -2.851 25050 1133 1 11 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.156 12.573 25050 1134 1 11 . 1 1 2 2 CYS H H 2 8.404 8.404 8.151 0.253 25050 1135 1 11 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.288 -0.359 25050 1136 1 11 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.338 -0.190 25050 1137 1 11 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.694 -0.654 25050 1138 1 11 . 1 1 3 3 ILE H H 3 8.924 8.924 8.363 0.561 25050 1139 1 11 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.406 -0.437 25050 1140 1 11 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.474 -0.650 25050 1141 1 11 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.907 0.095 25050 1142 1 11 . 1 1 4 4 ALA H H 4 7.989 7.989 8.640 -0.651 25050 1143 1 11 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.134 -0.396 25050 1144 1 11 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.011 0.053 25050 1145 1 11 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.884 1.296 25050 1146 1 11 . 1 1 5 5 LYS H H 5 7.690 7.690 8.592 -0.902 25050 1147 1 11 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.649 -0.498 25050 1148 1 11 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.044 0.855 25050 1149 1 11 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.213 -3.533 25050 1150 1 11 . 1 1 6 6 ASN H H 6 9.818 9.818 8.641 1.177 25050 1151 1 11 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.507 0.000 25050 1152 1 11 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.386 -1.297 25050 1153 1 11 . 1 1 7 7 LYS H H 7 7.801 7.801 7.722 0.079 25050 1154 1 11 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.622 0.077 25050 1155 1 11 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.300 6.044 25050 1156 1 11 . 1 1 8 8 GLU H H 8 8.370 8.370 8.503 -0.133 25050 1157 1 11 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.952 -0.082 25050 1158 1 11 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.420 -3.199 25050 1159 1 11 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.529 16.496 25050 1160 1 11 . 1 1 9 9 CYS H H 9 8.157 8.157 8.185 -0.028 25050 1161 1 11 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.796 -0.577 25050 1162 1 11 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.850 0.184 25050 1163 1 11 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.792 -0.570 25050 1164 1 11 . 1 1 10 10 ALA H H 10 8.169 8.169 8.415 -0.246 25050 1165 1 11 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.541 0.051 25050 1166 1 11 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.208 -0.885 25050 1167 1 11 . 1 1 11 11 TRP H H 11 8.070 8.070 8.907 -0.837 25050 1168 1 11 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.805 -0.294 25050 1169 1 11 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.514 -2.813 25050 1170 1 11 . 1 1 12 12 PHE H H 12 8.019 8.019 7.824 0.195 25050 1171 1 11 . 1 1 13 13 SER HA H 13 4.366 4.366 4.309 0.057 25050 1172 1 11 . 1 1 13 13 SER CB C 13 63.656 63.656 63.714 -0.058 25050 1173 1 11 . 1 1 13 13 SER H H 13 7.860 7.860 8.006 -0.146 25050 1174 1 11 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.724 -0.139 25050 1175 1 11 . 1 1 14 14 GLY H H 14 7.866 7.866 8.657 -0.791 25050 1176 1 11 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.885 0.420 25050 1177 1 11 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.149 -0.250 25050 1178 1 11 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.140 -0.443 25050 1179 1 11 . 1 1 15 15 GLU H H 15 7.719 7.719 7.318 0.401 25050 1180 1 11 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.097 -0.170 25050 1181 1 11 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.728 0.041 25050 1182 1 11 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.882 -0.440 25050 1183 1 11 . 1 1 16 16 TRP H H 16 8.423 8.423 7.905 0.518 25050 1184 1 11 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.841 0.215 25050 1185 1 11 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.332 -4.676 25050 1186 1 11 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.516 11.445 25050 1187 1 11 . 1 1 17 17 CYS H H 17 8.749 8.749 8.858 -0.109 25050 1188 1 11 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.499 -0.013 25050 1189 1 11 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.758 13.120 25050 1190 1 11 . 1 1 18 18 CYS H H 18 9.360 9.360 8.543 0.817 25050 1191 1 11 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.185 -0.260 25050 1192 1 11 . 1 1 19 19 GLY H H 19 8.577 8.577 8.786 -0.209 25050 1193 1 11 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.501 -0.056 25050 1194 1 11 . 1 1 20 20 ALA CB C 20 17.578 17.578 19.851 -2.273 25050 1195 1 11 . 1 1 20 20 ALA H H 20 8.625 8.625 8.144 0.481 25050 1196 1 11 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.617 -0.249 25050 1197 1 11 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.180 -1.053 25050 1198 1 11 . 1 1 21 21 LEU H H 21 7.637 7.637 7.565 0.072 25050 1199 1 11 . 1 1 22 22 SER HA H 22 4.712 4.712 4.652 0.060 25050 1200 1 11 . 1 1 22 22 SER CB C 22 65.549 65.549 65.268 0.281 25050 1201 1 11 . 1 1 22 22 SER H H 22 9.351 9.351 8.132 1.219 25050 1202 1 11 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.618 0.270 25050 1203 1 11 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.419 -3.510 25050 1204 1 11 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.207 13.246 25050 1205 1 11 . 1 1 23 23 CYS H H 23 8.690 8.690 8.595 0.095 25050 1206 1 11 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.867 0.001 25050 1207 1 11 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.398 -0.185 25050 1208 1 11 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.120 1.213 25050 1209 1 11 . 1 1 24 24 LYS H H 24 9.202 9.202 8.266 0.936 25050 1210 1 11 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.686 -0.519 25050 1211 1 11 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.962 0.246 25050 1212 1 11 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.044 -1.065 25050 1213 1 11 . 1 1 25 25 TYR H H 25 8.912 8.912 8.704 0.208 25050 1214 1 11 . 1 1 26 26 SER HA H 26 4.597 4.597 4.623 -0.026 25050 1215 1 11 . 1 1 26 26 SER CB C 26 63.103 63.103 62.846 0.257 25050 1216 1 11 . 1 1 26 26 SER H H 26 8.099 8.099 8.523 -0.424 25050 1217 1 11 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.661 0.134 25050 1218 1 11 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.845 -0.105 25050 1219 1 11 . 1 1 27 27 ILE H H 27 8.475 8.475 8.253 0.222 25050 1220 1 11 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.038 0.002 25050 1221 1 11 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.124 -1.490 25050 1222 1 11 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.649 0.306 25050 1223 1 11 . 1 1 28 28 LYS H H 28 7.774 7.774 8.474 -0.700 25050 1224 1 11 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.368 -0.173 25050 1225 1 11 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.009 0.219 25050 1226 1 11 . 1 1 29 29 ARG H H 29 7.301 7.301 7.483 -0.182 25050 1227 1 11 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.289 -0.097 25050 1228 1 11 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.000 0.629 25050 1229 1 11 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.516 -0.053 25050 1230 1 11 . 1 1 30 30 ASN H H 30 8.223 8.223 7.912 0.311 25050 1231 1 11 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.560 -0.001 25050 1232 1 11 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.371 -0.060 25050 1233 1 11 . 1 1 31 31 LEU H H 31 7.075 7.075 7.363 -0.288 25050 1234 1 11 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.800 -0.066 25050 1235 1 11 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.628 -0.690 25050 1236 1 11 . 1 1 32 32 LYS H H 32 8.248 8.248 8.241 0.007 25050 1237 1 11 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.033 -0.041 25050 1238 1 11 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.386 0.118 25050 1239 1 11 . 1 1 33 33 ILE H H 33 8.480 8.480 8.238 0.242 25050 1240 1 11 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.432 -0.324 25050 1241 1 11 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.296 -4.878 25050 1242 1 11 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.734 11.457 25050 1243 1 11 . 1 1 34 34 CYS H H 34 7.758 7.758 7.937 -0.179 25050 1244 1 12 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.855 0.068 25050 1245 1 12 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.389 -3.696 25050 1246 1 12 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.906 12.823 25050 1247 1 12 . 1 1 2 2 CYS H H 2 8.404 8.404 8.225 0.179 25050 1248 1 12 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.300 -0.371 25050 1249 1 12 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.365 -0.217 25050 1250 1 12 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.492 -0.452 25050 1251 1 12 . 1 1 3 3 ILE H H 3 8.924 8.924 8.339 0.585 25050 1252 1 12 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.404 -0.435 25050 1253 1 12 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.513 -0.689 25050 1254 1 12 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.925 0.077 25050 1255 1 12 . 1 1 4 4 ALA H H 4 7.989 7.989 8.629 -0.640 25050 1256 1 12 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.133 -0.395 25050 1257 1 12 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.103 -0.039 25050 1258 1 12 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.495 1.685 25050 1259 1 12 . 1 1 5 5 LYS H H 5 7.690 7.690 8.490 -0.800 25050 1260 1 12 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.649 -0.498 25050 1261 1 12 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.275 0.624 25050 1262 1 12 . 1 1 6 6 ASN CB C 6 36.680 36.680 39.975 -3.295 25050 1263 1 12 . 1 1 6 6 ASN H H 6 9.818 9.818 8.773 1.045 25050 1264 1 12 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.467 0.040 25050 1265 1 12 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.322 -1.234 25050 1266 1 12 . 1 1 7 7 LYS H H 7 7.801 7.801 7.644 0.157 25050 1267 1 12 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.465 0.234 25050 1268 1 12 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.159 6.185 25050 1269 1 12 . 1 1 8 8 GLU H H 8 8.370 8.370 8.536 -0.166 25050 1270 1 12 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.936 -0.066 25050 1271 1 12 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.746 -3.525 25050 1272 1 12 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.603 16.422 25050 1273 1 12 . 1 1 9 9 CYS H H 9 8.157 8.157 8.311 -0.154 25050 1274 1 12 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.711 -0.492 25050 1275 1 12 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.949 0.085 25050 1276 1 12 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.428 -1.206 25050 1277 1 12 . 1 1 10 10 ALA H H 10 8.169 8.169 8.133 0.036 25050 1278 1 12 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.514 0.078 25050 1279 1 12 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.380 -1.057 25050 1280 1 12 . 1 1 11 11 TRP H H 11 8.070 8.070 8.814 -0.744 25050 1281 1 12 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.725 -0.214 25050 1282 1 12 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.799 -3.098 25050 1283 1 12 . 1 1 12 12 PHE H H 12 8.019 8.019 7.688 0.331 25050 1284 1 12 . 1 1 13 13 SER HA H 13 4.366 4.366 4.315 0.051 25050 1285 1 12 . 1 1 13 13 SER CB C 13 63.656 63.656 63.828 -0.172 25050 1286 1 12 . 1 1 13 13 SER H H 13 7.860 7.860 8.059 -0.199 25050 1287 1 12 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.723 -0.138 25050 1288 1 12 . 1 1 14 14 GLY H H 14 7.866 7.866 8.565 -0.699 25050 1289 1 12 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.131 0.174 25050 1290 1 12 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.550 0.349 25050 1291 1 12 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.074 -0.377 25050 1292 1 12 . 1 1 15 15 GLU H H 15 7.719 7.719 7.542 0.177 25050 1293 1 12 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.118 -0.191 25050 1294 1 12 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.524 -0.755 25050 1295 1 12 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.593 -1.151 25050 1296 1 12 . 1 1 16 16 TRP H H 16 8.423 8.423 7.912 0.511 25050 1297 1 12 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.817 0.239 25050 1298 1 12 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.346 -4.690 25050 1299 1 12 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.382 11.579 25050 1300 1 12 . 1 1 17 17 CYS H H 17 8.749 8.749 8.893 -0.144 25050 1301 1 12 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.464 0.022 25050 1302 1 12 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.501 13.377 25050 1303 1 12 . 1 1 18 18 CYS H H 18 9.360 9.360 8.529 0.831 25050 1304 1 12 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.259 -0.334 25050 1305 1 12 . 1 1 19 19 GLY H H 19 8.577 8.577 8.844 -0.267 25050 1306 1 12 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.489 -0.044 25050 1307 1 12 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.116 -2.538 25050 1308 1 12 . 1 1 20 20 ALA H H 20 8.625 8.625 8.191 0.434 25050 1309 1 12 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.565 -0.197 25050 1310 1 12 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.214 -1.087 25050 1311 1 12 . 1 1 21 21 LEU H H 21 7.637 7.637 7.547 0.090 25050 1312 1 12 . 1 1 22 22 SER HA H 22 4.712 4.712 4.634 0.078 25050 1313 1 12 . 1 1 22 22 SER CB C 22 65.549 65.549 64.919 0.630 25050 1314 1 12 . 1 1 22 22 SER H H 22 9.351 9.351 8.441 0.910 25050 1315 1 12 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.702 0.186 25050 1316 1 12 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.280 -3.371 25050 1317 1 12 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.389 13.064 25050 1318 1 12 . 1 1 23 23 CYS H H 23 8.690 8.690 8.501 0.189 25050 1319 1 12 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.807 0.061 25050 1320 1 12 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.615 -0.402 25050 1321 1 12 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.687 0.646 25050 1322 1 12 . 1 1 24 24 LYS H H 24 9.202 9.202 8.496 0.706 25050 1323 1 12 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.491 -0.324 25050 1324 1 12 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.855 0.353 25050 1325 1 12 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.660 -1.681 25050 1326 1 12 . 1 1 25 25 TYR H H 25 8.912 8.912 8.604 0.308 25050 1327 1 12 . 1 1 26 26 SER HA H 26 4.597 4.597 4.653 -0.056 25050 1328 1 12 . 1 1 26 26 SER CB C 26 63.103 63.103 63.103 -0.000 25050 1329 1 12 . 1 1 26 26 SER H H 26 8.099 8.099 8.544 -0.445 25050 1330 1 12 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.781 0.014 25050 1331 1 12 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.879 -0.139 25050 1332 1 12 . 1 1 27 27 ILE H H 27 8.475 8.475 8.524 -0.049 25050 1333 1 12 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.039 0.001 25050 1334 1 12 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.278 -1.644 25050 1335 1 12 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.713 0.242 25050 1336 1 12 . 1 1 28 28 LYS H H 28 7.774 7.774 8.344 -0.570 25050 1337 1 12 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.331 -0.136 25050 1338 1 12 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.831 0.397 25050 1339 1 12 . 1 1 29 29 ARG H H 29 7.301 7.301 7.619 -0.318 25050 1340 1 12 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.333 -0.141 25050 1341 1 12 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.029 0.600 25050 1342 1 12 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.422 0.040 25050 1343 1 12 . 1 1 30 30 ASN H H 30 8.223 8.223 7.913 0.310 25050 1344 1 12 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.547 0.012 25050 1345 1 12 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.339 -0.028 25050 1346 1 12 . 1 1 31 31 LEU H H 31 7.075 7.075 7.431 -0.356 25050 1347 1 12 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.771 -0.037 25050 1348 1 12 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.618 -0.680 25050 1349 1 12 . 1 1 32 32 LYS H H 32 8.248 8.248 8.245 0.003 25050 1350 1 12 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.147 -0.155 25050 1351 1 12 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.385 0.119 25050 1352 1 12 . 1 1 33 33 ILE H H 33 8.480 8.480 8.189 0.291 25050 1353 1 12 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.332 -0.224 25050 1354 1 12 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.877 -5.460 25050 1355 1 12 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.338 11.853 25050 1356 1 12 . 1 1 34 34 CYS H H 34 7.758 7.758 7.923 -0.165 25050 1357 1 13 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.967 -0.044 25050 1358 1 13 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.780 -3.087 25050 1359 1 13 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.886 12.844 25050 1360 1 13 . 1 1 2 2 CYS H H 2 8.404 8.404 8.145 0.259 25050 1361 1 13 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.354 -0.425 25050 1362 1 13 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.174 -0.026 25050 1363 1 13 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.882 -0.842 25050 1364 1 13 . 1 1 3 3 ILE H H 3 8.924 8.924 8.456 0.468 25050 1365 1 13 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.398 -0.429 25050 1366 1 13 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.559 -0.735 25050 1367 1 13 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.901 0.101 25050 1368 1 13 . 1 1 4 4 ALA H H 4 7.989 7.989 8.648 -0.659 25050 1369 1 13 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.138 -0.400 25050 1370 1 13 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.009 0.055 25050 1371 1 13 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.700 1.480 25050 1372 1 13 . 1 1 5 5 LYS H H 5 7.690 7.690 8.601 -0.911 25050 1373 1 13 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.647 -0.496 25050 1374 1 13 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.354 0.545 25050 1375 1 13 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.014 -3.334 25050 1376 1 13 . 1 1 6 6 ASN H H 6 9.818 9.818 8.645 1.173 25050 1377 1 13 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.520 -0.013 25050 1378 1 13 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.375 -1.286 25050 1379 1 13 . 1 1 7 7 LYS H H 7 7.801 7.801 7.630 0.171 25050 1380 1 13 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.391 0.308 25050 1381 1 13 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.037 6.307 25050 1382 1 13 . 1 1 8 8 GLU H H 8 8.370 8.370 8.521 -0.151 25050 1383 1 13 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.630 0.240 25050 1384 1 13 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.443 -5.221 25050 1385 1 13 . 1 1 9 9 CYS CB C 9 47.025 47.025 27.952 19.073 25050 1386 1 13 . 1 1 9 9 CYS H H 9 8.157 8.157 8.422 -0.265 25050 1387 1 13 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.614 -0.395 25050 1388 1 13 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.452 -0.417 25050 1389 1 13 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.661 0.561 25050 1390 1 13 . 1 1 10 10 ALA H H 10 8.169 8.169 8.120 0.049 25050 1391 1 13 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.417 0.175 25050 1392 1 13 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.145 -0.823 25050 1393 1 13 . 1 1 11 11 TRP H H 11 8.070 8.070 8.837 -0.767 25050 1394 1 13 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.659 -0.148 25050 1395 1 13 . 1 1 12 12 PHE CB C 12 37.701 37.701 39.966 -2.265 25050 1396 1 13 . 1 1 12 12 PHE H H 12 8.019 8.019 7.752 0.267 25050 1397 1 13 . 1 1 13 13 SER HA H 13 4.366 4.366 4.352 0.014 25050 1398 1 13 . 1 1 13 13 SER CB C 13 63.656 63.656 63.517 0.138 25050 1399 1 13 . 1 1 13 13 SER H H 13 7.860 7.860 7.856 0.004 25050 1400 1 13 . 1 1 14 14 GLY CA C 14 44.585 44.585 45.130 -0.545 25050 1401 1 13 . 1 1 14 14 GLY H H 14 7.866 7.866 8.517 -0.651 25050 1402 1 13 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.746 -0.441 25050 1403 1 13 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.927 -0.028 25050 1404 1 13 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.135 -0.438 25050 1405 1 13 . 1 1 15 15 GLU H H 15 7.719 7.719 7.473 0.246 25050 1406 1 13 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.029 -0.102 25050 1407 1 13 . 1 1 16 16 TRP CA C 16 54.769 54.769 56.507 -1.738 25050 1408 1 13 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.954 -1.512 25050 1409 1 13 . 1 1 16 16 TRP H H 16 8.423 8.423 8.378 0.045 25050 1410 1 13 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.980 0.076 25050 1411 1 13 . 1 1 17 17 CYS CA C 17 54.656 54.656 58.984 -4.328 25050 1412 1 13 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.451 11.510 25050 1413 1 13 . 1 1 17 17 CYS H H 17 8.749 8.749 8.925 -0.176 25050 1414 1 13 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.413 0.073 25050 1415 1 13 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.471 13.407 25050 1416 1 13 . 1 1 18 18 CYS H H 18 9.360 9.360 8.525 0.835 25050 1417 1 13 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.205 -0.280 25050 1418 1 13 . 1 1 19 19 GLY H H 19 8.577 8.577 8.830 -0.253 25050 1419 1 13 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.548 -0.103 25050 1420 1 13 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.117 -2.539 25050 1421 1 13 . 1 1 20 20 ALA H H 20 8.625 8.625 8.221 0.404 25050 1422 1 13 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.659 -0.291 25050 1423 1 13 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.902 -1.775 25050 1424 1 13 . 1 1 21 21 LEU H H 21 7.637 7.637 7.626 0.011 25050 1425 1 13 . 1 1 22 22 SER HA H 22 4.712 4.712 4.748 -0.036 25050 1426 1 13 . 1 1 22 22 SER CB C 22 65.549 65.549 65.441 0.108 25050 1427 1 13 . 1 1 22 22 SER H H 22 9.351 9.351 8.448 0.903 25050 1428 1 13 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.670 0.218 25050 1429 1 13 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.209 -3.300 25050 1430 1 13 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.423 13.030 25050 1431 1 13 . 1 1 23 23 CYS H H 23 8.690 8.690 8.611 0.079 25050 1432 1 13 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.844 0.024 25050 1433 1 13 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.450 -0.237 25050 1434 1 13 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.330 1.003 25050 1435 1 13 . 1 1 24 24 LYS H H 24 9.202 9.202 8.539 0.663 25050 1436 1 13 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.482 -0.315 25050 1437 1 13 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.149 0.059 25050 1438 1 13 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.304 -1.325 25050 1439 1 13 . 1 1 25 25 TYR H H 25 8.912 8.912 8.690 0.222 25050 1440 1 13 . 1 1 26 26 SER HA H 26 4.597 4.597 4.677 -0.080 25050 1441 1 13 . 1 1 26 26 SER CB C 26 63.103 63.103 63.201 -0.098 25050 1442 1 13 . 1 1 26 26 SER H H 26 8.099 8.099 8.499 -0.400 25050 1443 1 13 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.849 -0.054 25050 1444 1 13 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.949 -0.208 25050 1445 1 13 . 1 1 27 27 ILE H H 27 8.475 8.475 8.616 -0.141 25050 1446 1 13 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.064 -0.024 25050 1447 1 13 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.287 -1.653 25050 1448 1 13 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.596 0.359 25050 1449 1 13 . 1 1 28 28 LYS H H 28 7.774 7.774 8.408 -0.634 25050 1450 1 13 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.365 -0.170 25050 1451 1 13 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.616 0.612 25050 1452 1 13 . 1 1 29 29 ARG H H 29 7.301 7.301 7.975 -0.674 25050 1453 1 13 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.286 -0.094 25050 1454 1 13 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.054 0.575 25050 1455 1 13 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.656 -0.194 25050 1456 1 13 . 1 1 30 30 ASN H H 30 8.223 8.223 7.786 0.437 25050 1457 1 13 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.484 0.075 25050 1458 1 13 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.408 -0.097 25050 1459 1 13 . 1 1 31 31 LEU H H 31 7.075 7.075 7.574 -0.499 25050 1460 1 13 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.792 -0.058 25050 1461 1 13 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.849 -0.911 25050 1462 1 13 . 1 1 32 32 LYS H H 32 8.248 8.248 8.188 0.060 25050 1463 1 13 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.097 -0.105 25050 1464 1 13 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.270 0.234 25050 1465 1 13 . 1 1 33 33 ILE H H 33 8.480 8.480 8.262 0.218 25050 1466 1 13 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.358 -0.250 25050 1467 1 13 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.523 -5.105 25050 1468 1 13 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.327 11.864 25050 1469 1 13 . 1 1 34 34 CYS H H 34 7.758 7.758 7.899 -0.141 25050 1470 1 14 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.097 -0.174 25050 1471 1 14 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.323 -3.630 25050 1472 1 14 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.587 13.142 25050 1473 1 14 . 1 1 2 2 CYS H H 2 8.404 8.404 7.796 0.608 25050 1474 1 14 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.337 -0.408 25050 1475 1 14 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.347 -0.199 25050 1476 1 14 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.663 -0.623 25050 1477 1 14 . 1 1 3 3 ILE H H 3 8.924 8.924 8.360 0.564 25050 1478 1 14 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.399 -0.430 25050 1479 1 14 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.468 -0.644 25050 1480 1 14 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.999 0.003 25050 1481 1 14 . 1 1 4 4 ALA H H 4 7.989 7.989 8.655 -0.666 25050 1482 1 14 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.153 -0.415 25050 1483 1 14 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.147 -0.083 25050 1484 1 14 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.596 1.584 25050 1485 1 14 . 1 1 5 5 LYS H H 5 7.690 7.690 8.433 -0.743 25050 1486 1 14 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.684 -0.533 25050 1487 1 14 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.158 0.741 25050 1488 1 14 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.717 -4.037 25050 1489 1 14 . 1 1 6 6 ASN H H 6 9.818 9.818 8.704 1.114 25050 1490 1 14 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.490 0.017 25050 1491 1 14 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.236 -1.147 25050 1492 1 14 . 1 1 7 7 LYS H H 7 7.801 7.801 7.520 0.281 25050 1493 1 14 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.521 0.178 25050 1494 1 14 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.184 6.160 25050 1495 1 14 . 1 1 8 8 GLU H H 8 8.370 8.370 8.517 -0.147 25050 1496 1 14 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.914 -0.044 25050 1497 1 14 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.227 -3.006 25050 1498 1 14 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.430 16.595 25050 1499 1 14 . 1 1 9 9 CYS H H 9 8.157 8.157 8.174 -0.017 25050 1500 1 14 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.720 -0.501 25050 1501 1 14 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.029 0.005 25050 1502 1 14 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.187 0.035 25050 1503 1 14 . 1 1 10 10 ALA H H 10 8.169 8.169 8.332 -0.163 25050 1504 1 14 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.542 0.050 25050 1505 1 14 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.123 -0.800 25050 1506 1 14 . 1 1 11 11 TRP H H 11 8.070 8.070 8.929 -0.859 25050 1507 1 14 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.798 -0.287 25050 1508 1 14 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.255 -2.554 25050 1509 1 14 . 1 1 12 12 PHE H H 12 8.019 8.019 7.820 0.199 25050 1510 1 14 . 1 1 13 13 SER HA H 13 4.366 4.366 4.334 0.032 25050 1511 1 14 . 1 1 13 13 SER CB C 13 63.656 63.656 63.623 0.033 25050 1512 1 14 . 1 1 13 13 SER H H 13 7.860 7.860 7.997 -0.137 25050 1513 1 14 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.880 -0.295 25050 1514 1 14 . 1 1 14 14 GLY H H 14 7.866 7.866 8.584 -0.718 25050 1515 1 14 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.881 0.424 25050 1516 1 14 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.871 0.028 25050 1517 1 14 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.035 -0.338 25050 1518 1 14 . 1 1 15 15 GLU H H 15 7.719 7.719 7.323 0.396 25050 1519 1 14 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.082 -0.155 25050 1520 1 14 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.678 0.091 25050 1521 1 14 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.969 -0.527 25050 1522 1 14 . 1 1 16 16 TRP H H 16 8.423 8.423 7.910 0.513 25050 1523 1 14 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.782 0.274 25050 1524 1 14 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.340 -4.684 25050 1525 1 14 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.495 11.466 25050 1526 1 14 . 1 1 17 17 CYS H H 17 8.749 8.749 8.911 -0.162 25050 1527 1 14 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.445 0.041 25050 1528 1 14 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.567 13.311 25050 1529 1 14 . 1 1 18 18 CYS H H 18 9.360 9.360 8.520 0.840 25050 1530 1 14 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.255 -0.330 25050 1531 1 14 . 1 1 19 19 GLY H H 19 8.577 8.577 8.824 -0.247 25050 1532 1 14 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.492 -0.047 25050 1533 1 14 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.038 -2.460 25050 1534 1 14 . 1 1 20 20 ALA H H 20 8.625 8.625 8.183 0.442 25050 1535 1 14 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.580 -0.212 25050 1536 1 14 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.488 -1.361 25050 1537 1 14 . 1 1 21 21 LEU H H 21 7.637 7.637 7.574 0.063 25050 1538 1 14 . 1 1 22 22 SER HA H 22 4.712 4.712 4.731 -0.019 25050 1539 1 14 . 1 1 22 22 SER CB C 22 65.549 65.549 65.160 0.389 25050 1540 1 14 . 1 1 22 22 SER H H 22 9.351 9.351 8.457 0.894 25050 1541 1 14 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.607 0.281 25050 1542 1 14 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.500 -3.591 25050 1543 1 14 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.618 12.835 25050 1544 1 14 . 1 1 23 23 CYS H H 23 8.690 8.690 8.543 0.147 25050 1545 1 14 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.887 -0.019 25050 1546 1 14 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.511 -0.298 25050 1547 1 14 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.561 0.772 25050 1548 1 14 . 1 1 24 24 LYS H H 24 9.202 9.202 8.811 0.391 25050 1549 1 14 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.526 -0.359 25050 1550 1 14 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.092 0.116 25050 1551 1 14 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.228 -1.249 25050 1552 1 14 . 1 1 25 25 TYR H H 25 8.912 8.912 8.730 0.182 25050 1553 1 14 . 1 1 26 26 SER HA H 26 4.597 4.597 4.686 -0.089 25050 1554 1 14 . 1 1 26 26 SER CB C 26 63.103 63.103 63.162 -0.059 25050 1555 1 14 . 1 1 26 26 SER H H 26 8.099 8.099 8.536 -0.437 25050 1556 1 14 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.836 -0.041 25050 1557 1 14 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.767 -0.027 25050 1558 1 14 . 1 1 27 27 ILE H H 27 8.475 8.475 8.574 -0.099 25050 1559 1 14 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050 1560 1 14 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.120 -1.486 25050 1561 1 14 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.498 0.457 25050 1562 1 14 . 1 1 28 28 LYS H H 28 7.774 7.774 8.483 -0.709 25050 1563 1 14 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.353 -0.158 25050 1564 1 14 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.666 0.562 25050 1565 1 14 . 1 1 29 29 ARG H H 29 7.301 7.301 7.858 -0.557 25050 1566 1 14 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.292 -0.100 25050 1567 1 14 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.077 0.552 25050 1568 1 14 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.691 -0.229 25050 1569 1 14 . 1 1 30 30 ASN H H 30 8.223 8.223 7.949 0.274 25050 1570 1 14 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.534 0.025 25050 1571 1 14 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.878 -0.567 25050 1572 1 14 . 1 1 31 31 LEU H H 31 7.075 7.075 7.571 -0.496 25050 1573 1 14 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.794 -0.060 25050 1574 1 14 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.988 -1.050 25050 1575 1 14 . 1 1 32 32 LYS H H 32 8.248 8.248 8.458 -0.210 25050 1576 1 14 . 1 1 33 33 ILE HA H 33 4.992 4.992 4.998 -0.006 25050 1577 1 14 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.311 0.193 25050 1578 1 14 . 1 1 33 33 ILE H H 33 8.480 8.480 8.279 0.201 25050 1579 1 14 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.398 -0.290 25050 1580 1 14 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.687 -5.269 25050 1581 1 14 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.593 11.598 25050 1582 1 14 . 1 1 34 34 CYS H H 34 7.758 7.758 7.874 -0.116 25050 1583 1 15 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.340 -0.417 25050 1584 1 15 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.434 -2.741 25050 1585 1 15 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.823 12.906 25050 1586 1 15 . 1 1 2 2 CYS H H 2 8.404 8.404 7.650 0.754 25050 1587 1 15 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.274 -0.345 25050 1588 1 15 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.335 -0.187 25050 1589 1 15 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.822 -0.782 25050 1590 1 15 . 1 1 3 3 ILE H H 3 8.924 8.924 8.450 0.474 25050 1591 1 15 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.401 -0.432 25050 1592 1 15 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.428 -0.604 25050 1593 1 15 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.009 -0.007 25050 1594 1 15 . 1 1 4 4 ALA H H 4 7.989 7.989 8.660 -0.671 25050 1595 1 15 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.144 -0.406 25050 1596 1 15 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.049 0.015 25050 1597 1 15 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.792 1.388 25050 1598 1 15 . 1 1 5 5 LYS H H 5 7.690 7.690 8.538 -0.848 25050 1599 1 15 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.669 -0.518 25050 1600 1 15 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.966 0.933 25050 1601 1 15 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.480 -3.800 25050 1602 1 15 . 1 1 6 6 ASN H H 6 9.818 9.818 8.656 1.162 25050 1603 1 15 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.518 -0.011 25050 1604 1 15 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.359 -1.270 25050 1605 1 15 . 1 1 7 7 LYS H H 7 7.801 7.801 7.689 0.112 25050 1606 1 15 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.438 0.261 25050 1607 1 15 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.093 6.251 25050 1608 1 15 . 1 1 8 8 GLU H H 8 8.370 8.370 8.519 -0.149 25050 1609 1 15 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.746 0.124 25050 1610 1 15 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.462 -5.240 25050 1611 1 15 . 1 1 9 9 CYS CB C 9 47.025 47.025 28.119 18.905 25050 1612 1 15 . 1 1 9 9 CYS H H 9 8.157 8.157 8.423 -0.266 25050 1613 1 15 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.651 -0.432 25050 1614 1 15 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.551 -0.517 25050 1615 1 15 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.674 0.548 25050 1616 1 15 . 1 1 10 10 ALA H H 10 8.169 8.169 8.164 0.005 25050 1617 1 15 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.557 0.035 25050 1618 1 15 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.197 -0.874 25050 1619 1 15 . 1 1 11 11 TRP H H 11 8.070 8.070 8.903 -0.833 25050 1620 1 15 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.803 -0.292 25050 1621 1 15 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.366 -2.665 25050 1622 1 15 . 1 1 12 12 PHE H H 12 8.019 8.019 7.813 0.206 25050 1623 1 15 . 1 1 13 13 SER HA H 13 4.366 4.366 4.301 0.065 25050 1624 1 15 . 1 1 13 13 SER CB C 13 63.656 63.656 63.628 0.028 25050 1625 1 15 . 1 1 13 13 SER H H 13 7.860 7.860 7.994 -0.134 25050 1626 1 15 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.733 -0.148 25050 1627 1 15 . 1 1 14 14 GLY H H 14 7.866 7.866 8.664 -0.798 25050 1628 1 15 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.897 0.408 25050 1629 1 15 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.176 -0.277 25050 1630 1 15 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.111 -0.414 25050 1631 1 15 . 1 1 15 15 GLU H H 15 7.719 7.719 7.307 0.412 25050 1632 1 15 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.080 -0.153 25050 1633 1 15 . 1 1 16 16 TRP CA C 16 54.769 54.769 54.629 0.140 25050 1634 1 15 . 1 1 16 16 TRP CB C 16 30.442 30.442 30.836 -0.394 25050 1635 1 15 . 1 1 16 16 TRP H H 16 8.423 8.423 7.968 0.455 25050 1636 1 15 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.754 0.302 25050 1637 1 15 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.160 -4.504 25050 1638 1 15 . 1 1 17 17 CYS CB C 17 38.961 38.961 28.057 10.904 25050 1639 1 15 . 1 1 17 17 CYS H H 17 8.749 8.749 8.885 -0.136 25050 1640 1 15 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.516 -0.030 25050 1641 1 15 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.772 13.106 25050 1642 1 15 . 1 1 18 18 CYS H H 18 9.360 9.360 8.557 0.803 25050 1643 1 15 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.302 -0.377 25050 1644 1 15 . 1 1 19 19 GLY H H 19 8.577 8.577 8.829 -0.252 25050 1645 1 15 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.477 -0.032 25050 1646 1 15 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.152 -2.574 25050 1647 1 15 . 1 1 20 20 ALA H H 20 8.625 8.625 8.180 0.445 25050 1648 1 15 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.528 -0.160 25050 1649 1 15 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.186 -1.059 25050 1650 1 15 . 1 1 21 21 LEU H H 21 7.637 7.637 7.560 0.077 25050 1651 1 15 . 1 1 22 22 SER HA H 22 4.712 4.712 4.682 0.030 25050 1652 1 15 . 1 1 22 22 SER CB C 22 65.549 65.549 65.059 0.490 25050 1653 1 15 . 1 1 22 22 SER H H 22 9.351 9.351 8.424 0.927 25050 1654 1 15 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.746 0.142 25050 1655 1 15 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.125 -3.216 25050 1656 1 15 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.803 12.650 25050 1657 1 15 . 1 1 23 23 CYS H H 23 8.690 8.690 8.686 0.004 25050 1658 1 15 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.906 -0.038 25050 1659 1 15 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.789 -0.576 25050 1660 1 15 . 1 1 24 24 LYS CB C 24 36.333 36.333 36.077 0.257 25050 1661 1 15 . 1 1 24 24 LYS H H 24 9.202 9.202 8.870 0.332 25050 1662 1 15 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.518 -0.351 25050 1663 1 15 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.023 0.185 25050 1664 1 15 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.233 -1.254 25050 1665 1 15 . 1 1 25 25 TYR H H 25 8.912 8.912 8.751 0.161 25050 1666 1 15 . 1 1 26 26 SER HA H 26 4.597 4.597 4.666 -0.069 25050 1667 1 15 . 1 1 26 26 SER CB C 26 63.103 63.103 63.359 -0.256 25050 1668 1 15 . 1 1 26 26 SER H H 26 8.099 8.099 8.550 -0.451 25050 1669 1 15 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.848 -0.053 25050 1670 1 15 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.940 -0.200 25050 1671 1 15 . 1 1 27 27 ILE H H 27 8.475 8.475 8.654 -0.179 25050 1672 1 15 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.063 -0.023 25050 1673 1 15 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.291 -1.657 25050 1674 1 15 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.581 0.374 25050 1675 1 15 . 1 1 28 28 LYS H H 28 7.774 7.774 8.426 -0.652 25050 1676 1 15 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.375 -0.180 25050 1677 1 15 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.667 0.561 25050 1678 1 15 . 1 1 29 29 ARG H H 29 7.301 7.301 7.958 -0.657 25050 1679 1 15 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.282 -0.090 25050 1680 1 15 . 1 1 30 30 ASN CA C 30 54.629 54.629 53.985 0.644 25050 1681 1 15 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.425 0.038 25050 1682 1 15 . 1 1 30 30 ASN H H 30 8.223 8.223 7.802 0.421 25050 1683 1 15 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.525 0.034 25050 1684 1 15 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.312 -0.001 25050 1685 1 15 . 1 1 31 31 LEU H H 31 7.075 7.075 7.504 -0.429 25050 1686 1 15 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.821 -0.087 25050 1687 1 15 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.834 -0.896 25050 1688 1 15 . 1 1 32 32 LYS H H 32 8.248 8.248 8.212 0.036 25050 1689 1 15 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.140 -0.148 25050 1690 1 15 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.305 0.199 25050 1691 1 15 . 1 1 33 33 ILE H H 33 8.480 8.480 8.332 0.148 25050 1692 1 15 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.380 -0.272 25050 1693 1 15 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.777 -5.359 25050 1694 1 15 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.235 11.956 25050 1695 1 15 . 1 1 34 34 CYS H H 34 7.758 7.758 7.872 -0.114 25050 1696 1 16 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.969 -0.046 25050 1697 1 16 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.884 -3.191 25050 1698 1 16 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.347 12.382 25050 1699 1 16 . 1 1 2 2 CYS H H 2 8.404 8.404 8.337 0.067 25050 1700 1 16 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.306 -0.377 25050 1701 1 16 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.298 -0.151 25050 1702 1 16 . 1 1 3 3 ILE CB C 3 38.040 38.040 37.863 0.177 25050 1703 1 16 . 1 1 3 3 ILE H H 3 8.924 8.924 8.280 0.644 25050 1704 1 16 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.348 -0.379 25050 1705 1 16 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.415 -0.591 25050 1706 1 16 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.051 -0.049 25050 1707 1 16 . 1 1 4 4 ALA H H 4 7.989 7.989 8.610 -0.621 25050 1708 1 16 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.231 -0.493 25050 1709 1 16 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.220 -0.156 25050 1710 1 16 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.448 1.732 25050 1711 1 16 . 1 1 5 5 LYS H H 5 7.690 7.690 8.532 -0.842 25050 1712 1 16 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.684 -0.533 25050 1713 1 16 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.792 1.107 25050 1714 1 16 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.187 -3.507 25050 1715 1 16 . 1 1 6 6 ASN H H 6 9.818 9.818 8.606 1.212 25050 1716 1 16 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.510 -0.003 25050 1717 1 16 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.350 -1.261 25050 1718 1 16 . 1 1 7 7 LYS H H 7 7.801 7.801 7.705 0.096 25050 1719 1 16 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.496 0.203 25050 1720 1 16 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.250 6.094 25050 1721 1 16 . 1 1 8 8 GLU H H 8 8.370 8.370 8.544 -0.174 25050 1722 1 16 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.941 -0.071 25050 1723 1 16 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.610 -3.388 25050 1724 1 16 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.258 16.767 25050 1725 1 16 . 1 1 9 9 CYS H H 9 8.157 8.157 8.172 -0.015 25050 1726 1 16 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.721 -0.502 25050 1727 1 16 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.840 0.194 25050 1728 1 16 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.256 -1.034 25050 1729 1 16 . 1 1 10 10 ALA H H 10 8.169 8.169 8.211 -0.042 25050 1730 1 16 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.500 0.092 25050 1731 1 16 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.370 -1.047 25050 1732 1 16 . 1 1 11 11 TRP H H 11 8.070 8.070 8.829 -0.759 25050 1733 1 16 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.730 -0.219 25050 1734 1 16 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.794 -3.093 25050 1735 1 16 . 1 1 12 12 PHE H H 12 8.019 8.019 7.693 0.326 25050 1736 1 16 . 1 1 13 13 SER HA H 13 4.366 4.366 4.308 0.058 25050 1737 1 16 . 1 1 13 13 SER CB C 13 63.656 63.656 63.864 -0.207 25050 1738 1 16 . 1 1 13 13 SER H H 13 7.860 7.860 8.106 -0.246 25050 1739 1 16 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.722 -0.137 25050 1740 1 16 . 1 1 14 14 GLY H H 14 7.866 7.866 8.567 -0.701 25050 1741 1 16 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.137 0.168 25050 1742 1 16 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.541 0.358 25050 1743 1 16 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.023 -0.326 25050 1744 1 16 . 1 1 15 15 GLU H H 15 7.719 7.719 7.595 0.124 25050 1745 1 16 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.140 -0.213 25050 1746 1 16 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.625 -0.856 25050 1747 1 16 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.611 -1.169 25050 1748 1 16 . 1 1 16 16 TRP H H 16 8.423 8.423 7.952 0.471 25050 1749 1 16 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.756 0.300 25050 1750 1 16 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.400 -4.744 25050 1751 1 16 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.396 11.565 25050 1752 1 16 . 1 1 17 17 CYS H H 17 8.749 8.749 8.858 -0.109 25050 1753 1 16 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.480 0.006 25050 1754 1 16 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.756 13.122 25050 1755 1 16 . 1 1 18 18 CYS H H 18 9.360 9.360 8.490 0.870 25050 1756 1 16 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.259 -0.334 25050 1757 1 16 . 1 1 19 19 GLY H H 19 8.577 8.577 8.846 -0.269 25050 1758 1 16 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.481 -0.036 25050 1759 1 16 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.162 -2.584 25050 1760 1 16 . 1 1 20 20 ALA H H 20 8.625 8.625 8.186 0.439 25050 1761 1 16 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.525 -0.157 25050 1762 1 16 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.193 -1.066 25050 1763 1 16 . 1 1 21 21 LEU H H 21 7.637 7.637 7.574 0.063 25050 1764 1 16 . 1 1 22 22 SER HA H 22 4.712 4.712 4.588 0.124 25050 1765 1 16 . 1 1 22 22 SER CB C 22 65.549 65.549 64.874 0.675 25050 1766 1 16 . 1 1 22 22 SER H H 22 9.351 9.351 8.351 1.000 25050 1767 1 16 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.742 0.146 25050 1768 1 16 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.284 -3.375 25050 1769 1 16 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.761 12.692 25050 1770 1 16 . 1 1 23 23 CYS H H 23 8.690 8.690 8.421 0.269 25050 1771 1 16 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.802 0.066 25050 1772 1 16 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.864 -0.651 25050 1773 1 16 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.785 0.548 25050 1774 1 16 . 1 1 24 24 LYS H H 24 9.202 9.202 8.466 0.736 25050 1775 1 16 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.487 -0.320 25050 1776 1 16 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.923 0.285 25050 1777 1 16 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.731 -1.752 25050 1778 1 16 . 1 1 25 25 TYR H H 25 8.912 8.912 8.570 0.342 25050 1779 1 16 . 1 1 26 26 SER HA H 26 4.597 4.597 4.702 -0.105 25050 1780 1 16 . 1 1 26 26 SER CB C 26 63.103 63.103 63.157 -0.054 25050 1781 1 16 . 1 1 26 26 SER H H 26 8.099 8.099 8.531 -0.432 25050 1782 1 16 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.831 -0.036 25050 1783 1 16 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.787 -0.047 25050 1784 1 16 . 1 1 27 27 ILE H H 27 8.475 8.475 8.605 -0.130 25050 1785 1 16 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050 1786 1 16 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.095 -1.461 25050 1787 1 16 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.635 0.320 25050 1788 1 16 . 1 1 28 28 LYS H H 28 7.774 7.774 8.402 -0.628 25050 1789 1 16 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.356 -0.161 25050 1790 1 16 . 1 1 29 29 ARG CB C 29 30.228 30.228 30.105 0.123 25050 1791 1 16 . 1 1 29 29 ARG H H 29 7.301 7.301 7.485 -0.184 25050 1792 1 16 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.331 -0.139 25050 1793 1 16 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.380 0.249 25050 1794 1 16 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.924 -0.462 25050 1795 1 16 . 1 1 30 30 ASN H H 30 8.223 8.223 8.051 0.172 25050 1796 1 16 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.499 0.060 25050 1797 1 16 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.686 -0.375 25050 1798 1 16 . 1 1 31 31 LEU H H 31 7.075 7.075 7.432 -0.357 25050 1799 1 16 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.757 -0.023 25050 1800 1 16 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.557 -0.619 25050 1801 1 16 . 1 1 32 32 LYS H H 32 8.248 8.248 8.245 0.003 25050 1802 1 16 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.017 -0.025 25050 1803 1 16 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.375 0.129 25050 1804 1 16 . 1 1 33 33 ILE H H 33 8.480 8.480 8.114 0.366 25050 1805 1 16 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.364 -0.256 25050 1806 1 16 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.358 -4.940 25050 1807 1 16 . 1 1 34 34 CYS CB C 34 39.191 39.191 26.919 12.272 25050 1808 1 16 . 1 1 34 34 CYS H H 34 7.758 7.758 8.023 -0.265 25050 1809 1 17 . 1 1 2 2 CYS HA H 2 4.923 4.923 4.957 -0.034 25050 1810 1 17 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.114 -3.421 25050 1811 1 17 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.136 12.593 25050 1812 1 17 . 1 1 2 2 CYS H H 2 8.404 8.404 8.214 0.190 25050 1813 1 17 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.339 -0.410 25050 1814 1 17 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.181 -0.033 25050 1815 1 17 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.313 -0.273 25050 1816 1 17 . 1 1 3 3 ILE H H 3 8.924 8.924 8.350 0.574 25050 1817 1 17 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.401 -0.432 25050 1818 1 17 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.527 -0.703 25050 1819 1 17 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.919 0.083 25050 1820 1 17 . 1 1 4 4 ALA H H 4 7.989 7.989 8.624 -0.635 25050 1821 1 17 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.121 -0.383 25050 1822 1 17 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.248 -0.184 25050 1823 1 17 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.444 1.736 25050 1824 1 17 . 1 1 5 5 LYS H H 5 7.690 7.690 8.566 -0.876 25050 1825 1 17 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.694 -0.543 25050 1826 1 17 . 1 1 6 6 ASN CA C 6 54.899 54.899 53.865 1.034 25050 1827 1 17 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.676 -3.996 25050 1828 1 17 . 1 1 6 6 ASN H H 6 9.818 9.818 8.583 1.235 25050 1829 1 17 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.516 -0.009 25050 1830 1 17 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.395 -1.306 25050 1831 1 17 . 1 1 7 7 LYS H H 7 7.801 7.801 7.707 0.094 25050 1832 1 17 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.462 0.237 25050 1833 1 17 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.140 6.204 25050 1834 1 17 . 1 1 8 8 GLU H H 8 8.370 8.370 8.540 -0.170 25050 1835 1 17 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.796 0.074 25050 1836 1 17 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.253 -3.031 25050 1837 1 17 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.309 16.716 25050 1838 1 17 . 1 1 9 9 CYS H H 9 8.157 8.157 8.228 -0.071 25050 1839 1 17 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.705 -0.486 25050 1840 1 17 . 1 1 10 10 ALA CA C 10 51.034 51.034 50.852 0.182 25050 1841 1 17 . 1 1 10 10 ALA CB C 10 20.222 20.222 21.034 -0.812 25050 1842 1 17 . 1 1 10 10 ALA H H 10 8.169 8.169 7.937 0.232 25050 1843 1 17 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.377 0.215 25050 1844 1 17 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.079 -0.756 25050 1845 1 17 . 1 1 11 11 TRP H H 11 8.070 8.070 8.803 -0.733 25050 1846 1 17 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.630 -0.119 25050 1847 1 17 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.482 -2.781 25050 1848 1 17 . 1 1 12 12 PHE H H 12 8.019 8.019 7.684 0.335 25050 1849 1 17 . 1 1 13 13 SER HA H 13 4.366 4.366 4.319 0.047 25050 1850 1 17 . 1 1 13 13 SER CB C 13 63.656 63.656 63.631 0.025 25050 1851 1 17 . 1 1 13 13 SER H H 13 7.860 7.860 7.963 -0.103 25050 1852 1 17 . 1 1 14 14 GLY CA C 14 44.585 44.585 45.171 -0.586 25050 1853 1 17 . 1 1 14 14 GLY H H 14 7.866 7.866 8.619 -0.753 25050 1854 1 17 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.715 -0.410 25050 1855 1 17 . 1 1 15 15 GLU CA C 15 54.899 54.899 55.216 -0.317 25050 1856 1 17 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.227 -0.530 25050 1857 1 17 . 1 1 15 15 GLU H H 15 7.719 7.719 7.460 0.259 25050 1858 1 17 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.026 -0.099 25050 1859 1 17 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.857 -1.088 25050 1860 1 17 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.126 -0.684 25050 1861 1 17 . 1 1 16 16 TRP H H 16 8.423 8.423 8.284 0.139 25050 1862 1 17 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.985 0.071 25050 1863 1 17 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.004 -4.348 25050 1864 1 17 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.597 11.364 25050 1865 1 17 . 1 1 17 17 CYS H H 17 8.749 8.749 8.865 -0.116 25050 1866 1 17 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.468 0.018 25050 1867 1 17 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.738 13.139 25050 1868 1 17 . 1 1 18 18 CYS H H 18 9.360 9.360 8.543 0.817 25050 1869 1 17 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.259 -0.334 25050 1870 1 17 . 1 1 19 19 GLY H H 19 8.577 8.577 8.817 -0.240 25050 1871 1 17 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.533 -0.088 25050 1872 1 17 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.067 -2.489 25050 1873 1 17 . 1 1 20 20 ALA H H 20 8.625 8.625 8.200 0.425 25050 1874 1 17 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.631 -0.263 25050 1875 1 17 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.687 -1.560 25050 1876 1 17 . 1 1 21 21 LEU H H 21 7.637 7.637 7.602 0.035 25050 1877 1 17 . 1 1 22 22 SER HA H 22 4.712 4.712 4.650 0.062 25050 1878 1 17 . 1 1 22 22 SER CB C 22 65.549 65.549 65.035 0.514 25050 1879 1 17 . 1 1 22 22 SER H H 22 9.351 9.351 8.362 0.989 25050 1880 1 17 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.641 0.247 25050 1881 1 17 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.320 -3.411 25050 1882 1 17 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.697 12.756 25050 1883 1 17 . 1 1 23 23 CYS H H 23 8.690 8.690 8.368 0.322 25050 1884 1 17 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.707 0.161 25050 1885 1 17 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.292 -0.079 25050 1886 1 17 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.519 0.814 25050 1887 1 17 . 1 1 24 24 LYS H H 24 9.202 9.202 8.346 0.856 25050 1888 1 17 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.490 -0.323 25050 1889 1 17 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.779 0.430 25050 1890 1 17 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.616 -1.637 25050 1891 1 17 . 1 1 25 25 TYR H H 25 8.912 8.912 8.559 0.353 25050 1892 1 17 . 1 1 26 26 SER HA H 26 4.597 4.597 4.668 -0.071 25050 1893 1 17 . 1 1 26 26 SER CB C 26 63.103 63.103 63.253 -0.150 25050 1894 1 17 . 1 1 26 26 SER H H 26 8.099 8.099 8.538 -0.439 25050 1895 1 17 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.801 -0.006 25050 1896 1 17 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.870 -0.130 25050 1897 1 17 . 1 1 27 27 ILE H H 27 8.475 8.475 8.564 -0.089 25050 1898 1 17 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.058 -0.018 25050 1899 1 17 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.110 -1.476 25050 1900 1 17 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.529 0.426 25050 1901 1 17 . 1 1 28 28 LYS H H 28 7.774 7.774 8.467 -0.693 25050 1902 1 17 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.348 -0.153 25050 1903 1 17 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.702 0.526 25050 1904 1 17 . 1 1 29 29 ARG H H 29 7.301 7.301 7.862 -0.561 25050 1905 1 17 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.297 -0.105 25050 1906 1 17 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.200 0.429 25050 1907 1 17 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.612 -0.150 25050 1908 1 17 . 1 1 30 30 ASN H H 30 8.223 8.223 7.944 0.279 25050 1909 1 17 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.567 -0.008 25050 1910 1 17 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.004 0.307 25050 1911 1 17 . 1 1 31 31 LEU H H 31 7.075 7.075 7.471 -0.396 25050 1912 1 17 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.770 -0.036 25050 1913 1 17 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.643 -0.705 25050 1914 1 17 . 1 1 32 32 LYS H H 32 8.248 8.248 8.223 0.025 25050 1915 1 17 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.082 -0.090 25050 1916 1 17 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.422 0.082 25050 1917 1 17 . 1 1 33 33 ILE H H 33 8.480 8.480 8.161 0.319 25050 1918 1 17 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.217 -0.109 25050 1919 1 17 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.552 -5.134 25050 1920 1 17 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.058 12.133 25050 1921 1 17 . 1 1 34 34 CYS H H 34 7.758 7.758 7.885 -0.127 25050 1922 1 18 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.164 -0.241 25050 1923 1 18 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.315 -3.622 25050 1924 1 18 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.135 12.594 25050 1925 1 18 . 1 1 2 2 CYS H H 2 8.404 8.404 8.317 0.087 25050 1926 1 18 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.333 -0.404 25050 1927 1 18 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.323 -0.175 25050 1928 1 18 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.686 -0.646 25050 1929 1 18 . 1 1 3 3 ILE H H 3 8.924 8.924 8.352 0.572 25050 1930 1 18 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.400 -0.431 25050 1931 1 18 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.576 -0.752 25050 1932 1 18 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.871 0.131 25050 1933 1 18 . 1 1 4 4 ALA H H 4 7.989 7.989 8.635 -0.646 25050 1934 1 18 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.179 -0.441 25050 1935 1 18 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.260 -0.196 25050 1936 1 18 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.389 1.791 25050 1937 1 18 . 1 1 5 5 LYS H H 5 7.690 7.690 8.587 -0.897 25050 1938 1 18 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.717 -0.566 25050 1939 1 18 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.060 0.839 25050 1940 1 18 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.855 -4.175 25050 1941 1 18 . 1 1 6 6 ASN H H 6 9.818 9.818 8.587 1.231 25050 1942 1 18 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.512 -0.005 25050 1943 1 18 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.277 -1.188 25050 1944 1 18 . 1 1 7 7 LYS H H 7 7.801 7.801 7.576 0.225 25050 1945 1 18 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.527 0.172 25050 1946 1 18 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.175 6.169 25050 1947 1 18 . 1 1 8 8 GLU H H 8 8.370 8.370 8.511 -0.141 25050 1948 1 18 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.913 -0.043 25050 1949 1 18 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.232 -3.010 25050 1950 1 18 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.423 16.602 25050 1951 1 18 . 1 1 9 9 CYS H H 9 8.157 8.157 8.200 -0.043 25050 1952 1 18 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.716 -0.497 25050 1953 1 18 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.030 0.004 25050 1954 1 18 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.173 0.049 25050 1955 1 18 . 1 1 10 10 ALA H H 10 8.169 8.169 8.332 -0.163 25050 1956 1 18 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.541 0.051 25050 1957 1 18 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.118 -0.795 25050 1958 1 18 . 1 1 11 11 TRP H H 11 8.070 8.070 8.930 -0.860 25050 1959 1 18 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.756 -0.245 25050 1960 1 18 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.026 -2.325 25050 1961 1 18 . 1 1 12 12 PHE H H 12 8.019 8.019 7.831 0.188 25050 1962 1 18 . 1 1 13 13 SER HA H 13 4.366 4.366 4.364 0.002 25050 1963 1 18 . 1 1 13 13 SER CB C 13 63.656 63.656 63.522 0.134 25050 1964 1 18 . 1 1 13 13 SER H H 13 7.860 7.860 7.940 -0.080 25050 1965 1 18 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.910 -0.325 25050 1966 1 18 . 1 1 14 14 GLY H H 14 7.866 7.866 8.506 -0.640 25050 1967 1 18 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.923 0.382 25050 1968 1 18 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.572 0.327 25050 1969 1 18 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.790 -0.093 25050 1970 1 18 . 1 1 15 15 GLU H H 15 7.719 7.719 7.365 0.354 25050 1971 1 18 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.133 -0.206 25050 1972 1 18 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.479 -0.710 25050 1973 1 18 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.569 -1.127 25050 1974 1 18 . 1 1 16 16 TRP H H 16 8.423 8.423 8.038 0.385 25050 1975 1 18 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.763 0.293 25050 1976 1 18 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.377 -4.721 25050 1977 1 18 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.490 11.471 25050 1978 1 18 . 1 1 17 17 CYS H H 17 8.749 8.749 8.912 -0.163 25050 1979 1 18 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.455 0.031 25050 1980 1 18 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.557 13.321 25050 1981 1 18 . 1 1 18 18 CYS H H 18 9.360 9.360 8.519 0.841 25050 1982 1 18 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.228 -0.303 25050 1983 1 18 . 1 1 19 19 GLY H H 19 8.577 8.577 8.830 -0.253 25050 1984 1 18 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.494 -0.049 25050 1985 1 18 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.053 -2.475 25050 1986 1 18 . 1 1 20 20 ALA H H 20 8.625 8.625 8.190 0.435 25050 1987 1 18 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.554 -0.186 25050 1988 1 18 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.454 -1.327 25050 1989 1 18 . 1 1 21 21 LEU H H 21 7.637 7.637 7.617 0.020 25050 1990 1 18 . 1 1 22 22 SER HA H 22 4.712 4.712 4.739 -0.027 25050 1991 1 18 . 1 1 22 22 SER CB C 22 65.549 65.549 65.013 0.536 25050 1992 1 18 . 1 1 22 22 SER H H 22 9.351 9.351 8.516 0.835 25050 1993 1 18 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.760 0.128 25050 1994 1 18 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.413 -3.504 25050 1995 1 18 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.822 12.631 25050 1996 1 18 . 1 1 23 23 CYS H H 23 8.690 8.690 8.564 0.126 25050 1997 1 18 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.884 -0.016 25050 1998 1 18 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.521 -0.308 25050 1999 1 18 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.542 0.791 25050 2000 1 18 . 1 1 24 24 LYS H H 24 9.202 9.202 8.847 0.355 25050 2001 1 18 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.539 -0.372 25050 2002 1 18 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.110 0.098 25050 2003 1 18 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.183 -1.204 25050 2004 1 18 . 1 1 25 25 TYR H H 25 8.912 8.912 8.750 0.162 25050 2005 1 18 . 1 1 26 26 SER HA H 26 4.597 4.597 4.699 -0.102 25050 2006 1 18 . 1 1 26 26 SER CB C 26 63.103 63.103 63.219 -0.117 25050 2007 1 18 . 1 1 26 26 SER H H 26 8.099 8.099 8.546 -0.447 25050 2008 1 18 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.824 -0.029 25050 2009 1 18 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.782 -0.042 25050 2010 1 18 . 1 1 27 27 ILE H H 27 8.475 8.475 8.628 -0.153 25050 2011 1 18 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.077 -0.037 25050 2012 1 18 . 1 1 28 28 LYS CA C 28 57.634 57.634 58.921 -1.287 25050 2013 1 18 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.551 0.404 25050 2014 1 18 . 1 1 28 28 LYS H H 28 7.774 7.774 8.442 -0.668 25050 2015 1 18 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.378 -0.183 25050 2016 1 18 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.954 0.274 25050 2017 1 18 . 1 1 29 29 ARG H H 29 7.301 7.301 7.309 -0.008 25050 2018 1 18 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.293 -0.101 25050 2019 1 18 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.050 0.580 25050 2020 1 18 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.452 0.010 25050 2021 1 18 . 1 1 30 30 ASN H H 30 8.223 8.223 7.921 0.302 25050 2022 1 18 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.514 0.045 25050 2023 1 18 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.173 0.138 25050 2024 1 18 . 1 1 31 31 LEU H H 31 7.075 7.075 7.506 -0.431 25050 2025 1 18 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.791 -0.057 25050 2026 1 18 . 1 1 32 32 LYS CB C 32 31.938 31.938 33.081 -1.143 25050 2027 1 18 . 1 1 32 32 LYS H H 32 8.248 8.248 8.441 -0.193 25050 2028 1 18 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.018 -0.026 25050 2029 1 18 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.273 0.231 25050 2030 1 18 . 1 1 33 33 ILE H H 33 8.480 8.480 8.292 0.188 25050 2031 1 18 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.445 -0.337 25050 2032 1 18 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.387 -4.969 25050 2033 1 18 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.578 11.613 25050 2034 1 18 . 1 1 34 34 CYS H H 34 7.758 7.758 7.926 -0.168 25050 2035 1 19 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.180 -0.257 25050 2036 1 19 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.202 -3.509 25050 2037 1 19 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.727 13.002 25050 2038 1 19 . 1 1 2 2 CYS H H 2 8.404 8.404 7.745 0.659 25050 2039 1 19 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.342 -0.413 25050 2040 1 19 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.135 0.013 25050 2041 1 19 . 1 1 3 3 ILE CB C 3 38.040 38.040 39.009 -0.969 25050 2042 1 19 . 1 1 3 3 ILE H H 3 8.924 8.924 8.429 0.495 25050 2043 1 19 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.415 -0.446 25050 2044 1 19 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.420 -0.596 25050 2045 1 19 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.951 0.051 25050 2046 1 19 . 1 1 4 4 ALA H H 4 7.989 7.989 8.657 -0.668 25050 2047 1 19 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.155 -0.417 25050 2048 1 19 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.329 -0.265 25050 2049 1 19 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.429 1.751 25050 2050 1 19 . 1 1 5 5 LYS H H 5 7.690 7.690 8.576 -0.886 25050 2051 1 19 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.716 -0.565 25050 2052 1 19 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.047 0.852 25050 2053 1 19 . 1 1 6 6 ASN CB C 6 36.680 36.680 41.017 -4.337 25050 2054 1 19 . 1 1 6 6 ASN H H 6 9.818 9.818 8.600 1.218 25050 2055 1 19 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.476 0.031 25050 2056 1 19 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.441 -1.353 25050 2057 1 19 . 1 1 7 7 LYS H H 7 7.801 7.801 7.529 0.272 25050 2058 1 19 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.441 0.258 25050 2059 1 19 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.082 6.262 25050 2060 1 19 . 1 1 8 8 GLU H H 8 8.370 8.370 8.522 -0.152 25050 2061 1 19 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.693 0.177 25050 2062 1 19 . 1 1 9 9 CYS CA C 9 53.222 53.222 58.399 -5.177 25050 2063 1 19 . 1 1 9 9 CYS CB C 9 47.025 47.025 28.652 18.373 25050 2064 1 19 . 1 1 9 9 CYS H H 9 8.157 8.157 8.365 -0.208 25050 2065 1 19 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.660 -0.441 25050 2066 1 19 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.478 -0.444 25050 2067 1 19 . 1 1 10 10 ALA CB C 10 20.222 20.222 19.700 0.522 25050 2068 1 19 . 1 1 10 10 ALA H H 10 8.169 8.169 8.159 0.010 25050 2069 1 19 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.551 0.041 25050 2070 1 19 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.203 -0.880 25050 2071 1 19 . 1 1 11 11 TRP H H 11 8.070 8.070 8.902 -0.832 25050 2072 1 19 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.778 -0.267 25050 2073 1 19 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.261 -2.559 25050 2074 1 19 . 1 1 12 12 PHE H H 12 8.019 8.019 7.823 0.196 25050 2075 1 19 . 1 1 13 13 SER HA H 13 4.366 4.366 4.317 0.049 25050 2076 1 19 . 1 1 13 13 SER CB C 13 63.656 63.656 63.591 0.065 25050 2077 1 19 . 1 1 13 13 SER H H 13 7.860 7.860 7.975 -0.115 25050 2078 1 19 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.888 -0.303 25050 2079 1 19 . 1 1 14 14 GLY H H 14 7.866 7.866 8.547 -0.681 25050 2080 1 19 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.953 0.352 25050 2081 1 19 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.755 0.144 25050 2082 1 19 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.911 -0.214 25050 2083 1 19 . 1 1 15 15 GLU H H 15 7.719 7.719 7.380 0.339 25050 2084 1 19 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.097 -0.170 25050 2085 1 19 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.303 -0.534 25050 2086 1 19 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.390 -0.948 25050 2087 1 19 . 1 1 16 16 TRP H H 16 8.423 8.423 7.990 0.433 25050 2088 1 19 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.778 0.278 25050 2089 1 19 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.234 -4.578 25050 2090 1 19 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.707 11.254 25050 2091 1 19 . 1 1 17 17 CYS H H 17 8.749 8.749 8.904 -0.155 25050 2092 1 19 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.492 -0.006 25050 2093 1 19 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.572 13.306 25050 2094 1 19 . 1 1 18 18 CYS H H 18 9.360 9.360 8.548 0.812 25050 2095 1 19 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.236 -0.311 25050 2096 1 19 . 1 1 19 19 GLY H H 19 8.577 8.577 8.832 -0.255 25050 2097 1 19 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.493 -0.048 25050 2098 1 19 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.044 -2.466 25050 2099 1 19 . 1 1 20 20 ALA H H 20 8.625 8.625 8.182 0.443 25050 2100 1 19 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.605 -0.237 25050 2101 1 19 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.500 -1.373 25050 2102 1 19 . 1 1 21 21 LEU H H 21 7.637 7.637 7.577 0.060 25050 2103 1 19 . 1 1 22 22 SER HA H 22 4.712 4.712 4.712 -0.000 25050 2104 1 19 . 1 1 22 22 SER CB C 22 65.549 65.549 65.142 0.407 25050 2105 1 19 . 1 1 22 22 SER H H 22 9.351 9.351 8.497 0.854 25050 2106 1 19 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.790 0.098 25050 2107 1 19 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.064 -3.155 25050 2108 1 19 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.536 12.917 25050 2109 1 19 . 1 1 23 23 CYS H H 23 8.690 8.690 8.732 -0.042 25050 2110 1 19 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.836 0.032 25050 2111 1 19 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.488 -0.275 25050 2112 1 19 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.441 0.892 25050 2113 1 19 . 1 1 24 24 LYS H H 24 9.202 9.202 8.708 0.494 25050 2114 1 19 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.530 -0.363 25050 2115 1 19 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.002 0.206 25050 2116 1 19 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.616 -1.637 25050 2117 1 19 . 1 1 25 25 TYR H H 25 8.912 8.912 8.536 0.376 25050 2118 1 19 . 1 1 26 26 SER HA H 26 4.597 4.597 4.737 -0.140 25050 2119 1 19 . 1 1 26 26 SER CB C 26 63.103 63.103 63.717 -0.614 25050 2120 1 19 . 1 1 26 26 SER H H 26 8.099 8.099 8.407 -0.308 25050 2121 1 19 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.901 -0.106 25050 2122 1 19 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.834 -0.094 25050 2123 1 19 . 1 1 27 27 ILE H H 27 8.475 8.475 8.757 -0.282 25050 2124 1 19 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.067 -0.027 25050 2125 1 19 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.140 -1.506 25050 2126 1 19 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.538 0.417 25050 2127 1 19 . 1 1 28 28 LYS H H 28 7.774 7.774 8.476 -0.702 25050 2128 1 19 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.364 -0.169 25050 2129 1 19 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.963 0.265 25050 2130 1 19 . 1 1 29 29 ARG H H 29 7.301 7.301 7.908 -0.607 25050 2131 1 19 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.296 -0.104 25050 2132 1 19 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.174 0.455 25050 2133 1 19 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.779 -0.317 25050 2134 1 19 . 1 1 30 30 ASN H H 30 8.223 8.223 7.974 0.249 25050 2135 1 19 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.449 0.110 25050 2136 1 19 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.003 0.308 25050 2137 1 19 . 1 1 31 31 LEU H H 31 7.075 7.075 7.454 -0.379 25050 2138 1 19 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.754 -0.020 25050 2139 1 19 . 1 1 32 32 LYS CB C 32 31.938 31.938 31.671 0.268 25050 2140 1 19 . 1 1 32 32 LYS H H 32 8.248 8.248 8.202 0.046 25050 2141 1 19 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.003 -0.011 25050 2142 1 19 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.654 -0.150 25050 2143 1 19 . 1 1 33 33 ILE H H 33 8.480 8.480 8.204 0.276 25050 2144 1 19 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.453 -0.345 25050 2145 1 19 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.235 -4.817 25050 2146 1 19 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.652 11.539 25050 2147 1 19 . 1 1 34 34 CYS H H 34 7.758 7.758 7.860 -0.102 25050 2148 1 20 . 1 1 2 2 CYS HA H 2 4.923 4.923 5.196 -0.273 25050 2149 1 20 . 1 1 2 2 CYS CA C 2 53.693 53.693 57.191 -3.498 25050 2150 1 20 . 1 1 2 2 CYS CB C 2 42.729 42.729 30.243 12.486 25050 2151 1 20 . 1 1 2 2 CYS H H 2 8.404 8.404 8.310 0.094 25050 2152 1 20 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.328 -0.399 25050 2153 1 20 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.304 -0.156 25050 2154 1 20 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.580 -0.540 25050 2155 1 20 . 1 1 3 3 ILE H H 3 8.924 8.924 8.291 0.633 25050 2156 1 20 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.391 -0.422 25050 2157 1 20 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.490 -0.666 25050 2158 1 20 . 1 1 4 4 ALA CB C 4 20.002 20.002 20.045 -0.043 25050 2159 1 20 . 1 1 4 4 ALA H H 4 7.989 7.989 8.654 -0.665 25050 2160 1 20 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.165 -0.427 25050 2161 1 20 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.044 0.020 25050 2162 1 20 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.430 1.750 25050 2163 1 20 . 1 1 5 5 LYS H H 5 7.690 7.690 8.421 -0.731 25050 2164 1 20 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.678 -0.527 25050 2165 1 20 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.193 0.706 25050 2166 1 20 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.694 -4.013 25050 2167 1 20 . 1 1 6 6 ASN H H 6 9.818 9.818 8.718 1.100 25050 2168 1 20 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.491 0.016 25050 2169 1 20 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.273 -1.184 25050 2170 1 20 . 1 1 7 7 LYS H H 7 7.801 7.801 7.530 0.271 25050 2171 1 20 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.523 0.176 25050 2172 1 20 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.201 6.143 25050 2173 1 20 . 1 1 8 8 GLU H H 8 8.370 8.370 8.501 -0.131 25050 2174 1 20 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.918 -0.048 25050 2175 1 20 . 1 1 9 9 CYS CA C 9 53.222 53.222 56.241 -3.019 25050 2176 1 20 . 1 1 9 9 CYS CB C 9 47.025 47.025 30.464 16.561 25050 2177 1 20 . 1 1 9 9 CYS H H 9 8.157 8.157 8.478 -0.321 25050 2178 1 20 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.725 -0.506 25050 2179 1 20 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.003 0.031 25050 2180 1 20 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.185 0.037 25050 2181 1 20 . 1 1 10 10 ALA H H 10 8.169 8.169 8.337 -0.168 25050 2182 1 20 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.538 0.054 25050 2183 1 20 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.106 -0.783 25050 2184 1 20 . 1 1 11 11 TRP H H 11 8.070 8.070 8.949 -0.879 25050 2185 1 20 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.776 -0.265 25050 2186 1 20 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.224 -2.523 25050 2187 1 20 . 1 1 12 12 PHE H H 12 8.019 8.019 7.831 0.188 25050 2188 1 20 . 1 1 13 13 SER HA H 13 4.366 4.366 4.341 0.025 25050 2189 1 20 . 1 1 13 13 SER CB C 13 63.656 63.656 63.639 0.017 25050 2190 1 20 . 1 1 13 13 SER H H 13 7.860 7.860 8.058 -0.198 25050 2191 1 20 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.881 -0.296 25050 2192 1 20 . 1 1 14 14 GLY H H 14 7.866 7.866 8.529 -0.663 25050 2193 1 20 . 1 1 15 15 GLU HA H 15 4.305 4.305 3.917 0.388 25050 2194 1 20 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.725 0.174 25050 2195 1 20 . 1 1 15 15 GLU CB C 15 30.697 30.697 30.854 -0.157 25050 2196 1 20 . 1 1 15 15 GLU H H 15 7.719 7.719 7.381 0.338 25050 2197 1 20 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.122 -0.195 25050 2198 1 20 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.497 -0.728 25050 2199 1 20 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.420 -0.978 25050 2200 1 20 . 1 1 16 16 TRP H H 16 8.423 8.423 7.998 0.425 25050 2201 1 20 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.792 0.264 25050 2202 1 20 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.411 -4.755 25050 2203 1 20 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.394 11.567 25050 2204 1 20 . 1 1 17 17 CYS H H 17 8.749 8.749 8.879 -0.130 25050 2205 1 20 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.482 0.004 25050 2206 1 20 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.686 13.192 25050 2207 1 20 . 1 1 18 18 CYS H H 18 9.360 9.360 8.522 0.838 25050 2208 1 20 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.262 -0.337 25050 2209 1 20 . 1 1 19 19 GLY H H 19 8.577 8.577 8.822 -0.245 25050 2210 1 20 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.490 -0.045 25050 2211 1 20 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.037 -2.459 25050 2212 1 20 . 1 1 20 20 ALA H H 20 8.625 8.625 8.181 0.444 25050 2213 1 20 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.581 -0.213 25050 2214 1 20 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.455 -1.328 25050 2215 1 20 . 1 1 21 21 LEU H H 21 7.637 7.637 7.572 0.065 25050 2216 1 20 . 1 1 22 22 SER HA H 22 4.712 4.712 4.725 -0.013 25050 2217 1 20 . 1 1 22 22 SER CB C 22 65.549 65.549 65.181 0.367 25050 2218 1 20 . 1 1 22 22 SER H H 22 9.351 9.351 8.451 0.900 25050 2219 1 20 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.590 0.298 25050 2220 1 20 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.543 -3.634 25050 2221 1 20 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.688 12.765 25050 2222 1 20 . 1 1 23 23 CYS H H 23 8.690 8.690 8.522 0.168 25050 2223 1 20 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.884 -0.016 25050 2224 1 20 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.518 -0.305 25050 2225 1 20 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.575 0.758 25050 2226 1 20 . 1 1 24 24 LYS H H 24 9.202 9.202 8.891 0.311 25050 2227 1 20 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.635 -0.468 25050 2228 1 20 . 1 1 25 25 TYR CA C 25 59.208 59.208 59.079 0.129 25050 2229 1 20 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.213 -1.234 25050 2230 1 20 . 1 1 25 25 TYR H H 25 8.912 8.912 8.747 0.165 25050 2231 1 20 . 1 1 26 26 SER HA H 26 4.597 4.597 4.684 -0.087 25050 2232 1 20 . 1 1 26 26 SER CB C 26 63.103 63.103 63.224 -0.121 25050 2233 1 20 . 1 1 26 26 SER H H 26 8.099 8.099 8.568 -0.469 25050 2234 1 20 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.814 -0.019 25050 2235 1 20 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.724 0.016 25050 2236 1 20 . 1 1 27 27 ILE H H 27 8.475 8.475 8.576 -0.101 25050 2237 1 20 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.054 -0.014 25050 2238 1 20 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.097 -1.463 25050 2239 1 20 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.591 0.364 25050 2240 1 20 . 1 1 28 28 LYS H H 28 7.774 7.774 8.412 -0.638 25050 2241 1 20 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.331 -0.136 25050 2242 1 20 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.949 0.279 25050 2243 1 20 . 1 1 29 29 ARG H H 29 7.301 7.301 7.478 -0.177 25050 2244 1 20 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.313 -0.121 25050 2245 1 20 . 1 1 30 30 ASN CA C 30 54.629 54.629 53.994 0.635 25050 2246 1 20 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.380 0.082 25050 2247 1 20 . 1 1 30 30 ASN H H 30 8.223 8.223 7.950 0.273 25050 2248 1 20 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.536 0.023 25050 2249 1 20 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.137 0.174 25050 2250 1 20 . 1 1 31 31 LEU H H 31 7.075 7.075 7.475 -0.400 25050 2251 1 20 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.805 -0.071 25050 2252 1 20 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.935 -0.997 25050 2253 1 20 . 1 1 32 32 LYS H H 32 8.248 8.248 8.495 -0.247 25050 2254 1 20 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.067 -0.075 25050 2255 1 20 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.243 0.261 25050 2256 1 20 . 1 1 33 33 ILE H H 33 8.480 8.480 8.304 0.176 25050 2257 1 20 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.423 -0.315 25050 2258 1 20 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.703 -5.285 25050 2259 1 20 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.566 11.625 25050 2260 1 20 . 1 1 34 34 CYS H H 34 7.758 7.758 7.929 -0.171 25050 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 0 0.000 0.000 0.000 25050 2 1 1 "Average Difference" HA 35 0.261 0.052 0.259 25050 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25050 4 1 1 "Average Difference" CA 19 2.241 1.191 1.950 25050 5 1 1 "Average Difference" CB 30 6.235 -2.417 5.846 25050 6 1 1 "Average Difference" HN 33 0.475 -0.027 0.481 25050 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25050 8 1 2 "Average Difference" HA 35 0.256 0.049 0.255 25050 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25050 10 1 2 "Average Difference" CA 19 2.260 1.177 1.983 25050 11 1 2 "Average Difference" CB 30 6.275 -2.443 5.879 25050 12 1 2 "Average Difference" HN 33 0.505 -0.046 0.511 25050 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25050 14 1 3 "Average Difference" HA 35 0.268 0.055 0.267 25050 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25050 16 1 3 "Average Difference" CA 19 2.287 1.189 2.007 25050 17 1 3 "Average Difference" CB 30 6.222 -2.425 5.828 25050 18 1 3 "Average Difference" HN 33 0.498 -0.045 0.504 25050 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25050 20 1 4 "Average Difference" HA 35 0.257 0.064 0.253 25050 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25050 22 1 4 "Average Difference" CA 19 2.141 1.152 1.854 25050 23 1 4 "Average Difference" CB 30 6.136 -2.312 5.781 25050 24 1 4 "Average Difference" HN 33 0.516 -0.041 0.523 25050 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25050 26 1 5 "Average Difference" HA 35 0.271 0.059 0.268 25050 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25050 28 1 5 "Average Difference" CA 19 2.146 1.128 1.875 25050 29 1 5 "Average Difference" CB 30 6.075 -2.374 5.688 25050 30 1 5 "Average Difference" HN 33 0.497 -0.037 0.503 25050 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25050 32 1 6 "Average Difference" HA 35 0.241 0.065 0.236 25050 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25050 34 1 6 "Average Difference" CA 19 2.071 1.157 1.764 25050 35 1 6 "Average Difference" CB 30 6.173 -2.418 5.777 25050 36 1 6 "Average Difference" HN 33 0.513 -0.053 0.518 25050 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25050 38 1 7 "Average Difference" HA 35 0.246 0.050 0.244 25050 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25050 40 1 7 "Average Difference" CA 19 2.154 1.142 1.877 25050 41 1 7 "Average Difference" CB 30 6.114 -2.354 5.739 25050 42 1 7 "Average Difference" HN 33 0.501 -0.025 0.508 25050 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25050 44 1 8 "Average Difference" HA 35 0.260 0.067 0.255 25050 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25050 46 1 8 "Average Difference" CA 19 2.243 1.247 1.915 25050 47 1 8 "Average Difference" CB 30 6.178 -2.332 5.819 25050 48 1 8 "Average Difference" HN 33 0.498 -0.047 0.504 25050 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25050 50 1 9 "Average Difference" HA 35 0.267 0.054 0.266 25050 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25050 52 1 9 "Average Difference" CA 19 2.296 1.206 2.008 25050 53 1 9 "Average Difference" CB 30 6.298 -2.441 5.905 25050 54 1 9 "Average Difference" HN 33 0.483 -0.039 0.489 25050 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25050 56 1 10 "Average Difference" HA 35 0.264 0.058 0.261 25050 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25050 58 1 10 "Average Difference" CA 19 2.132 1.137 1.853 25050 59 1 10 "Average Difference" CB 30 6.176 -2.438 5.771 25050 60 1 10 "Average Difference" HN 33 0.486 -0.050 0.491 25050 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25050 62 1 11 "Average Difference" HA 35 0.266 0.061 0.263 25050 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25050 64 1 11 "Average Difference" CA 19 2.058 1.061 1.811 25050 65 1 11 "Average Difference" CB 30 6.088 -2.402 5.690 25050 66 1 11 "Average Difference" HN 33 0.531 -0.060 0.536 25050 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25050 68 1 12 "Average Difference" HA 35 0.241 0.041 0.240 25050 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25050 70 1 12 "Average Difference" CA 19 2.228 1.201 1.928 25050 71 1 12 "Average Difference" CB 30 6.158 -2.361 5.785 25050 72 1 12 "Average Difference" HN 33 0.476 -0.042 0.481 25050 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25050 74 1 13 "Average Difference" HA 35 0.245 0.061 0.241 25050 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25050 76 1 13 "Average Difference" CA 19 2.295 1.328 1.923 25050 77 1 13 "Average Difference" CB 30 6.401 -2.492 5.997 25050 78 1 13 "Average Difference" HN 33 0.493 -0.006 0.500 25050 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25050 80 1 14 "Average Difference" HA 35 0.258 0.052 0.256 25050 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25050 82 1 14 "Average Difference" CA 19 2.160 1.147 1.881 25050 83 1 14 "Average Difference" CB 30 6.149 -2.397 5.759 25050 84 1 14 "Average Difference" HN 33 0.499 -0.019 0.506 25050 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25050 86 1 15 "Average Difference" HA 35 0.259 0.055 0.257 25050 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25050 88 1 15 "Average Difference" CA 19 2.291 1.226 1.988 25050 89 1 15 "Average Difference" CB 30 6.311 -2.464 5.909 25050 90 1 15 "Average Difference" HN 33 0.511 -0.011 0.518 25050 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25050 92 1 16 "Average Difference" HA 35 0.247 0.046 0.246 25050 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25050 94 1 16 "Average Difference" CA 19 2.119 1.140 1.836 25050 95 1 16 "Average Difference" CB 30 6.142 -2.327 5.782 25050 96 1 16 "Average Difference" HN 33 0.500 -0.043 0.506 25050 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25050 98 1 17 "Average Difference" HA 35 0.243 0.054 0.241 25050 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25050 100 1 17 "Average Difference" CA 19 2.099 1.157 1.799 25050 101 1 17 "Average Difference" CB 30 6.143 -2.379 5.760 25050 102 1 17 "Average Difference" HN 33 0.513 -0.045 0.519 25050 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25050 104 1 18 "Average Difference" HA 35 0.259 0.066 0.254 25050 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25050 106 1 18 "Average Difference" CA 19 2.124 1.148 1.836 25050 107 1 18 "Average Difference" CB 30 6.103 -2.400 5.707 25050 108 1 18 "Average Difference" HN 33 0.478 -0.011 0.485 25050 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25050 110 1 19 "Average Difference" HA 35 0.261 0.055 0.259 25050 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25050 112 1 19 "Average Difference" CA 19 2.267 1.261 1.936 25050 113 1 19 "Average Difference" CB 30 6.312 -2.461 5.912 25050 114 1 19 "Average Difference" HN 33 0.506 -0.026 0.513 25050 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25050 116 1 20 "Average Difference" HA 35 0.265 0.063 0.261 25050 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25050 118 1 20 "Average Difference" CA 19 2.171 1.168 1.880 25050 119 1 20 "Average Difference" CB 30 6.094 -2.394 5.699 25050 120 1 20 "Average Difference" HN 33 0.472 -0.002 0.480 25050 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 25050 _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 CYS HA H 2 4.923 4.923 5.123 -0.200 25050 2 1 . 1 1 2 2 CYS CA C 2 53.693 53.693 56.910 -3.217 25050 3 1 . 1 1 2 2 CYS CB C 2 42.729 42.729 29.972 12.757 25050 4 1 . 1 1 2 2 CYS H H 2 8.404 8.404 8.043 0.361 25050 5 1 . 1 1 3 3 ILE HA H 3 3.929 3.929 4.324 -0.395 25050 6 1 . 1 1 3 3 ILE CA C 3 61.148 61.148 61.253 -0.105 25050 7 1 . 1 1 3 3 ILE CB C 3 38.040 38.040 38.702 -0.662 25050 8 1 . 1 1 3 3 ILE H H 3 8.924 8.924 8.396 0.528 25050 9 1 . 1 1 4 4 ALA HA H 4 3.969 3.969 4.398 -0.429 25050 10 1 . 1 1 4 4 ALA CA C 4 50.824 50.824 51.471 -0.647 25050 11 1 . 1 1 4 4 ALA CB C 4 20.002 20.002 19.986 0.016 25050 12 1 . 1 1 4 4 ALA H H 4 7.989 7.989 8.645 -0.656 25050 13 1 . 1 1 5 5 LYS HA H 5 3.738 3.738 4.158 -0.420 25050 14 1 . 1 1 5 5 LYS CA C 5 57.064 57.064 57.147 -0.083 25050 15 1 . 1 1 5 5 LYS CB C 5 32.180 32.180 30.541 1.639 25050 16 1 . 1 1 5 5 LYS H H 5 7.690 7.690 8.523 -0.833 25050 17 1 . 1 1 6 6 ASN HA H 6 4.151 4.151 4.670 -0.519 25050 18 1 . 1 1 6 6 ASN CA C 6 54.899 54.899 54.075 0.824 25050 19 1 . 1 1 6 6 ASN CB C 6 36.680 36.680 40.453 -3.773 25050 20 1 . 1 1 6 6 ASN H H 6 9.818 9.818 8.670 1.148 25050 21 1 . 1 1 7 7 LYS HA H 7 4.507 4.507 4.504 0.003 25050 22 1 . 1 1 7 7 LYS CB C 7 32.089 32.089 33.336 -1.247 25050 23 1 . 1 1 7 7 LYS H H 7 7.801 7.801 7.635 0.166 25050 24 1 . 1 1 8 8 GLU HA H 8 4.699 4.699 4.493 0.206 25050 25 1 . 1 1 8 8 GLU CB C 8 36.344 36.344 30.158 6.186 25050 26 1 . 1 1 8 8 GLU H H 8 8.370 8.370 8.519 -0.149 25050 27 1 . 1 1 9 9 CYS HA H 9 4.870 4.870 4.831 0.039 25050 28 1 . 1 1 9 9 CYS CA C 9 53.222 53.222 57.170 -3.948 25050 29 1 . 1 1 9 9 CYS CB C 9 47.025 47.025 29.907 17.118 25050 30 1 . 1 1 9 9 CYS H H 9 8.157 8.157 8.257 -0.100 25050 31 1 . 1 1 10 10 ALA HA H 10 4.219 4.219 4.721 -0.502 25050 32 1 . 1 1 10 10 ALA CA C 10 51.034 51.034 51.091 -0.057 25050 33 1 . 1 1 10 10 ALA CB C 10 20.222 20.222 20.436 -0.214 25050 34 1 . 1 1 10 10 ALA H H 10 8.169 8.169 8.204 -0.035 25050 35 1 . 1 1 11 11 TRP HA H 11 4.592 4.592 4.506 0.086 25050 36 1 . 1 1 11 11 TRP CB C 11 28.323 28.323 29.201 -0.878 25050 37 1 . 1 1 11 11 TRP H H 11 8.070 8.070 8.877 -0.807 25050 38 1 . 1 1 12 12 PHE HA H 12 4.511 4.511 4.763 -0.252 25050 39 1 . 1 1 12 12 PHE CB C 12 37.701 37.701 40.375 -2.674 25050 40 1 . 1 1 12 12 PHE H H 12 8.019 8.019 7.779 0.240 25050 41 1 . 1 1 13 13 SER HA H 13 4.366 4.366 4.328 0.038 25050 42 1 . 1 1 13 13 SER CB C 13 63.656 63.656 63.691 -0.035 25050 43 1 . 1 1 13 13 SER H H 13 7.860 7.860 8.006 -0.146 25050 44 1 . 1 1 14 14 GLY CA C 14 44.585 44.585 44.862 -0.277 25050 45 1 . 1 1 14 14 GLY H H 14 7.866 7.866 8.580 -0.714 25050 46 1 . 1 1 15 15 GLU HA H 15 4.305 4.305 4.122 0.183 25050 47 1 . 1 1 15 15 GLU CA C 15 54.899 54.899 54.853 0.046 25050 48 1 . 1 1 15 15 GLU CB C 15 30.697 30.697 31.079 -0.382 25050 49 1 . 1 1 15 15 GLU H H 15 7.719 7.719 7.427 0.292 25050 50 1 . 1 1 16 16 TRP HA H 16 4.927 4.927 5.089 -0.162 25050 51 1 . 1 1 16 16 TRP CA C 16 54.769 54.769 55.387 -0.618 25050 52 1 . 1 1 16 16 TRP CB C 16 30.442 30.442 31.356 -0.914 25050 53 1 . 1 1 16 16 TRP H H 16 8.423 8.423 8.027 0.396 25050 54 1 . 1 1 17 17 CYS HA H 17 5.056 5.056 4.842 0.214 25050 55 1 . 1 1 17 17 CYS CA C 17 54.656 54.656 59.253 -4.598 25050 56 1 . 1 1 17 17 CYS CB C 17 38.961 38.961 27.546 11.415 25050 57 1 . 1 1 17 17 CYS H H 17 8.749 8.749 8.899 -0.150 25050 58 1 . 1 1 18 18 CYS HA H 18 4.486 4.486 4.465 0.021 25050 59 1 . 1 1 18 18 CYS CB C 18 40.878 40.878 27.588 13.290 25050 60 1 . 1 1 18 18 CYS H H 18 9.360 9.360 8.536 0.824 25050 61 1 . 1 1 19 19 GLY CA C 19 46.925 46.925 47.234 -0.309 25050 62 1 . 1 1 19 19 GLY H H 19 8.577 8.577 8.826 -0.249 25050 63 1 . 1 1 20 20 ALA HA H 20 4.445 4.445 4.502 -0.057 25050 64 1 . 1 1 20 20 ALA CB C 20 17.578 17.578 20.062 -2.484 25050 65 1 . 1 1 20 20 ALA H H 20 8.625 8.625 8.185 0.440 25050 66 1 . 1 1 21 21 LEU HA H 21 4.368 4.368 4.587 -0.219 25050 67 1 . 1 1 21 21 LEU CB C 21 42.127 42.127 43.339 -1.212 25050 68 1 . 1 1 21 21 LEU H H 21 7.637 7.637 7.575 0.062 25050 69 1 . 1 1 22 22 SER HA H 22 4.712 4.712 4.681 0.031 25050 70 1 . 1 1 22 22 SER CB C 22 65.549 65.549 65.161 0.388 25050 71 1 . 1 1 22 22 SER H H 22 9.351 9.351 8.392 0.959 25050 72 1 . 1 1 23 23 CYS HA H 23 4.888 4.888 4.697 0.191 25050 73 1 . 1 1 23 23 CYS CA C 23 54.909 54.909 58.349 -3.440 25050 74 1 . 1 1 23 23 CYS CB C 23 39.453 39.453 26.512 12.941 25050 75 1 . 1 1 23 23 CYS H H 23 8.690 8.690 8.582 0.108 25050 76 1 . 1 1 24 24 LYS HA H 24 4.868 4.868 4.822 0.046 25050 77 1 . 1 1 24 24 LYS CA C 24 54.213 54.213 54.394 -0.181 25050 78 1 . 1 1 24 24 LYS CB C 24 36.333 36.333 35.408 0.925 25050 79 1 . 1 1 24 24 LYS H H 24 9.202 9.202 8.537 0.665 25050 80 1 . 1 1 25 25 TYR HA H 25 4.167 4.167 4.546 -0.379 25050 81 1 . 1 1 25 25 TYR CA C 25 59.208 59.208 58.949 0.259 25050 82 1 . 1 1 25 25 TYR CB C 25 37.979 37.979 39.424 -1.445 25050 83 1 . 1 1 25 25 TYR H H 25 8.912 8.912 8.634 0.278 25050 84 1 . 1 1 26 26 SER HA H 26 4.597 4.597 4.667 -0.070 25050 85 1 . 1 1 26 26 SER CB C 26 63.103 63.103 63.143 -0.040 25050 86 1 . 1 1 26 26 SER H H 26 8.099 8.099 8.529 -0.430 25050 87 1 . 1 1 27 27 ILE HA H 27 3.795 3.795 3.782 0.013 25050 88 1 . 1 1 27 27 ILE CB C 27 37.740 37.740 37.820 -0.080 25050 89 1 . 1 1 27 27 ILE H H 27 8.475 8.475 8.526 -0.051 25050 90 1 . 1 1 28 28 LYS HA H 28 4.040 4.040 4.054 -0.014 25050 91 1 . 1 1 28 28 LYS CA C 28 57.634 57.634 59.121 -1.487 25050 92 1 . 1 1 28 28 LYS CB C 28 31.955 31.955 31.597 0.358 25050 93 1 . 1 1 28 28 LYS H H 28 7.774 7.774 8.445 -0.671 25050 94 1 . 1 1 29 29 ARG HA H 29 4.195 4.195 4.373 -0.178 25050 95 1 . 1 1 29 29 ARG CB C 29 30.228 30.228 29.962 0.266 25050 96 1 . 1 1 29 29 ARG H H 29 7.301 7.301 7.636 -0.336 25050 97 1 . 1 1 30 30 ASN HA H 30 4.192 4.192 4.303 -0.111 25050 98 1 . 1 1 30 30 ASN CA C 30 54.629 54.629 54.173 0.456 25050 99 1 . 1 1 30 30 ASN CB C 30 36.462 36.462 36.672 -0.210 25050 100 1 . 1 1 30 30 ASN H H 30 8.223 8.223 7.968 0.255 25050 101 1 . 1 1 31 31 LEU HA H 31 4.559 4.559 4.527 0.032 25050 102 1 . 1 1 31 31 LEU CB C 31 46.311 46.311 46.401 -0.090 25050 103 1 . 1 1 31 31 LEU H H 31 7.075 7.075 7.435 -0.360 25050 104 1 . 1 1 32 32 LYS HA H 32 4.734 4.734 4.787 -0.053 25050 105 1 . 1 1 32 32 LYS CB C 32 31.938 31.938 32.644 -0.706 25050 106 1 . 1 1 32 32 LYS H H 32 8.248 8.248 8.263 -0.015 25050 107 1 . 1 1 33 33 ILE HA H 33 4.992 4.992 5.044 -0.052 25050 108 1 . 1 1 33 33 ILE CA C 33 58.504 58.504 58.386 0.118 25050 109 1 . 1 1 33 33 ILE H H 33 8.480 8.480 8.235 0.245 25050 110 1 . 1 1 34 34 CYS HA H 34 5.108 5.108 5.370 -0.262 25050 111 1 . 1 1 34 34 CYS CA C 34 54.418 54.418 59.535 -5.117 25050 112 1 . 1 1 34 34 CYS CB C 34 39.191 39.191 27.401 11.790 25050 113 1 . 1 1 34 34 CYS H H 34 7.758 7.758 7.912 -0.154 25050 stop_ save_