data_25961 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25961 _Entry.PDB_ID 2NB4 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 25961 _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 LEU N N 2 122.611 122.611 119.382 3.229 25961 2 1 1 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.663 -0.271 25961 3 1 1 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.673 -1.341 25961 4 1 1 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.702 -4.385 25961 5 1 1 . 1 1 2 2 LEU H H 2 8.535 8.535 8.318 0.217 25961 6 1 1 . 1 1 3 3 THR N N 3 112.475 112.475 114.644 -2.169 25961 7 1 1 . 1 1 3 3 THR HA H 3 4.777 4.777 4.592 0.185 25961 8 1 1 . 1 1 3 3 THR CA C 3 59.259 59.259 59.820 -0.561 25961 9 1 1 . 1 1 3 3 THR CB C 3 70.185 70.185 70.422 -0.237 25961 10 1 1 . 1 1 3 3 THR H H 3 7.903 7.903 8.325 -0.422 25961 11 1 1 . 1 1 4 4 ARG N N 4 120.183 120.183 121.980 -1.797 25961 12 1 1 . 1 1 4 4 ARG H H 4 8.809 8.809 8.484 0.325 25961 13 1 1 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.408 -0.036 25961 14 1 1 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.584 1.433 25961 15 1 1 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.322 1.266 25961 16 1 1 . 1 1 6 6 TYR N N 6 120.727 120.727 122.987 -2.260 25961 17 1 1 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.625 0.009 25961 18 1 1 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.452 -1.376 25961 19 1 1 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.900 -0.846 25961 20 1 1 . 1 1 6 6 TYR H H 6 7.530 7.530 8.091 -0.561 25961 21 1 1 . 1 1 7 7 LEU N N 7 126.575 126.575 122.939 3.636 25961 22 1 1 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.373 -0.966 25961 23 1 1 . 1 1 7 7 LEU H H 7 8.500 8.500 8.006 0.494 25961 24 1 1 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.642 1.065 25961 25 1 1 . 1 1 9 9 PHE N N 9 114.612 114.612 115.494 -0.882 25961 26 1 1 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.834 0.524 25961 27 1 1 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.254 -0.992 25961 28 1 1 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.518 -1.064 25961 29 1 1 . 1 1 9 9 PHE H H 9 7.102 7.102 7.224 -0.122 25961 30 1 1 . 1 1 10 10 ARG N N 10 117.800 117.800 121.446 -3.646 25961 31 1 1 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.769 -0.098 25961 32 1 1 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.316 -1.917 25961 33 1 1 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.156 0.659 25961 34 1 1 . 1 1 10 10 ARG H H 10 8.206 8.206 8.789 -0.583 25961 35 1 1 . 1 1 11 11 VAL N N 11 117.216 117.216 117.963 -0.747 25961 36 1 1 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.274 -0.107 25961 37 1 1 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.020 -1.830 25961 38 1 1 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.984 -1.109 25961 39 1 1 . 1 1 11 11 VAL H H 11 8.601 8.601 8.376 0.225 25961 40 1 1 . 1 1 12 12 ALA N N 12 123.025 123.025 129.873 -6.848 25961 41 1 1 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.814 -0.234 25961 42 1 1 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.713 -1.170 25961 43 1 1 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.903 0.879 25961 44 1 1 . 1 1 12 12 ALA H H 12 8.861 8.861 8.100 0.761 25961 45 1 1 . 1 1 13 13 VAL N N 13 121.395 121.395 124.376 -2.981 25961 46 1 1 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.021 0.530 25961 47 1 1 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.572 -1.289 25961 48 1 1 . 1 1 13 13 VAL CB C 13 31.694 31.694 31.965 -0.271 25961 49 1 1 . 1 1 13 13 VAL H H 13 8.585 8.585 8.776 -0.191 25961 50 1 1 . 1 1 14 14 GLY N N 14 117.546 117.546 116.838 0.708 25961 51 1 1 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.357 -1.973 25961 52 1 1 . 1 1 14 14 GLY H H 14 8.789 8.789 8.242 0.547 25961 53 1 1 . 1 1 15 15 ARG N N 15 120.075 120.075 120.542 -0.467 25961 54 1 1 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.753 0.357 25961 55 1 1 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.609 -0.716 25961 56 1 1 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.405 0.351 25961 57 1 1 . 1 1 15 15 ARG H H 15 8.299 8.299 8.407 -0.108 25961 58 1 1 . 1 1 16 16 ASP N N 16 123.872 123.872 120.232 3.640 25961 59 1 1 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.726 0.019 25961 60 1 1 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.864 -1.492 25961 61 1 1 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.849 -1.097 25961 62 1 1 . 1 1 16 16 ASP H H 16 8.619 8.619 8.434 0.185 25961 63 1 1 . 1 1 17 17 SER N N 17 114.309 114.309 114.573 -0.264 25961 64 1 1 . 1 1 17 17 SER HA H 17 4.196 4.196 4.253 -0.057 25961 65 1 1 . 1 1 17 17 SER CA C 17 59.950 59.950 60.489 -0.539 25961 66 1 1 . 1 1 17 17 SER CB C 17 61.825 61.825 63.514 -1.689 25961 67 1 1 . 1 1 17 17 SER H H 17 8.624 8.624 8.302 0.322 25961 68 1 1 . 1 1 18 18 SER N N 18 117.903 117.903 116.527 1.376 25961 69 1 1 . 1 1 18 18 SER HA H 18 4.597 4.597 4.494 0.103 25961 70 1 1 . 1 1 18 18 SER CA C 18 57.732 57.732 59.193 -1.460 25961 71 1 1 . 1 1 18 18 SER CB C 18 63.470 63.470 64.646 -1.176 25961 72 1 1 . 1 1 18 18 SER H H 18 8.385 8.385 7.680 0.705 25961 73 1 1 . 1 1 19 19 GLY N N 19 109.883 109.883 110.277 -0.394 25961 74 1 1 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.922 -0.751 25961 75 1 1 . 1 1 19 19 GLY H H 19 8.214 8.214 7.983 0.231 25961 76 1 1 . 1 1 20 20 CYS N N 20 122.167 122.167 119.045 3.122 25961 77 1 1 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.628 -0.140 25961 78 1 1 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.891 0.146 25961 79 1 1 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.367 -2.682 25961 80 1 1 . 1 1 20 20 CYS H H 20 8.286 8.286 8.094 0.192 25961 81 1 1 . 1 1 21 21 THR N N 21 119.387 119.387 114.684 4.703 25961 82 1 1 . 1 1 21 21 THR HA H 21 4.764 4.764 4.114 0.650 25961 83 1 1 . 1 1 21 21 THR CA C 21 61.953 61.953 64.016 -2.063 25961 84 1 1 . 1 1 21 21 THR CB C 21 68.795 68.795 67.076 1.719 25961 85 1 1 . 1 1 21 21 THR H H 21 8.626 8.626 7.926 0.700 25961 86 1 1 . 1 1 22 22 THR N N 22 116.611 116.611 115.862 0.749 25961 87 1 1 . 1 1 22 22 THR HA H 22 4.513 4.513 4.750 -0.237 25961 88 1 1 . 1 1 22 22 THR CA C 22 58.918 58.918 59.755 -0.837 25961 89 1 1 . 1 1 22 22 THR CB C 22 71.128 71.128 70.963 0.165 25961 90 1 1 . 1 1 22 22 THR H H 22 8.343 8.343 7.729 0.614 25961 91 1 1 . 1 1 23 23 LEU N N 23 122.893 122.893 125.059 -2.166 25961 92 1 1 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.143 -0.211 25961 93 1 1 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.299 -1.812 25961 94 1 1 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.766 -1.501 25961 95 1 1 . 1 1 23 23 LEU H H 23 9.157 9.157 8.640 0.517 25961 96 1 1 . 1 1 24 24 SER N N 24 116.771 116.771 116.907 -0.136 25961 97 1 1 . 1 1 24 24 SER HA H 24 5.173 5.173 4.660 0.513 25961 98 1 1 . 1 1 24 24 SER CA C 24 55.247 55.247 57.915 -2.668 25961 99 1 1 . 1 1 24 24 SER CB C 24 64.841 64.841 64.563 0.278 25961 100 1 1 . 1 1 24 24 SER H H 24 8.656 8.656 7.973 0.683 25961 101 1 1 . 1 1 25 25 ILE N N 25 122.747 122.747 124.775 -2.028 25961 102 1 1 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.817 -0.786 25961 103 1 1 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.013 2.257 25961 104 1 1 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.535 -2.886 25961 105 1 1 . 1 1 25 25 ILE H H 25 9.023 9.023 8.133 0.890 25961 106 1 1 . 1 1 26 26 GLN N N 26 129.779 129.779 125.549 4.230 25961 107 1 1 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.333 0.096 25961 108 1 1 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.325 -2.738 25961 109 1 1 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.916 0.360 25961 110 1 1 . 1 1 26 26 GLN H H 26 9.093 9.093 8.537 0.556 25961 111 1 1 . 1 1 27 27 GLU N N 27 118.722 118.722 118.083 0.639 25961 112 1 1 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.952 0.012 25961 113 1 1 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.513 0.509 25961 114 1 1 . 1 1 27 27 GLU H H 27 7.479 7.479 8.039 -0.560 25961 115 1 1 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.393 0.050 25961 116 1 1 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.750 -0.595 25961 117 1 1 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.161 1.519 25961 118 1 1 . 1 1 29 29 THR N N 29 124.459 124.459 119.910 4.549 25961 119 1 1 . 1 1 29 29 THR HA H 29 4.183 4.183 4.637 -0.454 25961 120 1 1 . 1 1 29 29 THR CA C 29 62.474 62.474 62.564 -0.090 25961 121 1 1 . 1 1 29 29 THR CB C 29 68.811 68.811 69.306 -0.495 25961 122 1 1 . 1 1 29 29 THR H H 29 8.009 8.009 8.500 -0.491 25961 123 1 1 . 1 1 30 30 GLN N N 30 130.053 130.053 120.402 9.651 25961 124 1 1 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.434 -0.912 25961 125 1 1 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.689 2.197 25961 126 1 1 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.695 -1.390 25961 127 1 1 . 1 1 30 30 GLN H H 30 9.321 9.321 8.208 1.113 25961 128 1 1 . 1 1 31 31 THR N N 31 111.234 111.234 109.175 2.059 25961 129 1 1 . 1 1 31 31 THR HA H 31 5.509 5.509 4.646 0.863 25961 130 1 1 . 1 1 31 31 THR CA C 31 58.798 58.798 60.810 -2.012 25961 131 1 1 . 1 1 31 31 THR CB C 31 71.374 71.374 69.168 2.206 25961 132 1 1 . 1 1 31 31 THR H H 31 7.630 7.630 7.899 -0.269 25961 133 1 1 . 1 1 32 32 TYR N N 32 121.998 121.998 120.094 1.904 25961 134 1 1 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.728 0.075 25961 135 1 1 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.635 -2.836 25961 136 1 1 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.022 -2.304 25961 137 1 1 . 1 1 32 32 TYR H H 32 9.359 9.359 7.492 1.867 25961 138 1 1 . 1 1 33 33 THR N N 33 114.039 114.039 114.694 -0.655 25961 139 1 1 . 1 1 33 33 THR HA H 33 4.390 4.390 4.618 -0.228 25961 140 1 1 . 1 1 33 33 THR CA C 33 59.896 59.896 61.569 -1.673 25961 141 1 1 . 1 1 33 33 THR CB C 33 69.135 69.135 71.779 -2.644 25961 142 1 1 . 1 1 33 33 THR H H 33 7.985 7.985 8.032 -0.047 25961 143 1 1 . 1 1 34 34 GLY N N 34 113.445 113.445 110.060 3.385 25961 144 1 1 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.912 -1.840 25961 145 1 1 . 1 1 34 34 GLY H H 34 8.698 8.698 8.419 0.279 25961 146 1 1 . 1 1 35 35 SER N N 35 113.837 113.837 116.739 -2.902 25961 147 1 1 . 1 1 35 35 SER HA H 35 4.264 4.264 4.468 -0.204 25961 148 1 1 . 1 1 35 35 SER CA C 35 57.651 57.651 56.826 0.825 25961 149 1 1 . 1 1 35 35 SER CB C 35 63.056 63.056 64.517 -1.461 25961 150 1 1 . 1 1 35 35 SER H H 35 8.039 8.039 7.774 0.265 25961 151 1 1 . 1 1 36 36 ASN N N 36 119.749 119.749 123.543 -3.794 25961 152 1 1 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.403 0.181 25961 153 1 1 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.296 -1.515 25961 154 1 1 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.861 -0.674 25961 155 1 1 . 1 1 36 36 ASN H H 36 8.767 8.767 9.175 -0.408 25961 156 1 1 . 1 1 37 37 GLY N N 37 110.628 110.628 103.472 7.156 25961 157 1 1 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.329 -0.744 25961 158 1 1 . 1 1 37 37 GLY H H 37 8.496 8.496 7.668 0.828 25961 159 1 1 . 1 1 38 38 GLY N N 38 108.654 108.654 109.459 -0.805 25961 160 1 1 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.244 -1.144 25961 161 1 1 . 1 1 38 38 GLY H H 38 7.955 7.955 8.148 -0.193 25961 162 1 1 . 1 1 39 39 ALA N N 39 123.326 123.326 124.723 -1.397 25961 163 1 1 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.365 -0.154 25961 164 1 1 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.693 -0.855 25961 165 1 1 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.275 -1.546 25961 166 1 1 . 1 1 39 39 ALA H H 39 8.028 8.028 7.916 0.112 25961 167 1 1 . 1 1 40 40 ASP N N 40 119.573 119.573 119.674 -0.101 25961 168 1 1 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.426 -0.039 25961 169 1 1 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.315 -0.321 25961 170 1 1 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.307 -0.680 25961 171 1 1 . 1 1 40 40 ASP H H 40 8.261 8.261 8.213 0.048 25961 172 1 1 . 1 1 41 41 LEU N N 41 123.899 123.899 122.564 1.335 25961 173 1 1 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.298 0.143 25961 174 1 1 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.763 -2.542 25961 175 1 1 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.159 -2.150 25961 176 1 1 . 1 1 41 41 LEU H H 41 8.663 8.663 7.685 0.978 25961 177 1 1 . 1 1 42 42 MET N N 42 119.684 119.684 118.007 1.677 25961 178 1 1 . 1 1 42 42 MET HA H 42 4.730 4.730 4.775 -0.045 25961 179 1 1 . 1 1 42 42 MET CA C 42 54.695 54.695 55.257 -0.562 25961 180 1 1 . 1 1 42 42 MET CB C 42 32.194 32.194 33.212 -1.018 25961 181 1 1 . 1 1 42 42 MET H H 42 8.553 8.553 8.323 0.230 25961 182 1 1 . 1 1 43 43 GLY N N 43 113.052 113.052 110.722 2.330 25961 183 1 1 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.493 -3.115 25961 184 1 1 . 1 1 43 43 GLY H H 43 8.618 8.618 8.655 -0.037 25961 185 1 1 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.358 0.362 25961 186 1 1 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.729 -3.498 25961 187 1 1 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.495 0.458 25961 188 1 1 . 1 1 45 45 ALA N N 45 120.693 120.693 121.988 -1.295 25961 189 1 1 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.098 -0.114 25961 190 1 1 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.791 -0.987 25961 191 1 1 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.165 -0.198 25961 192 1 1 . 1 1 45 45 ALA H H 45 7.524 7.524 8.306 -0.782 25961 193 1 1 . 1 1 46 46 PHE N N 46 122.306 122.306 117.437 4.869 25961 194 1 1 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.165 -0.203 25961 195 1 1 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.840 0.486 25961 196 1 1 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.174 -0.554 25961 197 1 1 . 1 1 46 46 PHE H H 46 8.603 8.603 8.001 0.602 25961 198 1 1 . 1 1 47 47 ALA N N 47 123.253 123.253 121.337 1.916 25961 199 1 1 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.156 -0.068 25961 200 1 1 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.366 -0.415 25961 201 1 1 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.111 -0.464 25961 202 1 1 . 1 1 47 47 ALA H H 47 9.199 9.199 7.494 1.705 25961 203 1 1 . 1 1 48 48 ALA N N 48 117.571 117.571 119.056 -1.485 25961 204 1 1 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.284 0.019 25961 205 1 1 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.920 -0.233 25961 206 1 1 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.227 -1.455 25961 207 1 1 . 1 1 48 48 ALA H H 48 7.262 7.262 7.371 -0.109 25961 208 1 1 . 1 1 49 49 GLY N N 49 103.229 103.229 106.260 -3.031 25961 209 1 1 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.552 -0.933 25961 210 1 1 . 1 1 49 49 GLY H H 49 7.461 7.461 7.588 -0.127 25961 211 1 1 . 1 1 50 50 LEU N N 50 120.470 120.470 121.984 -1.514 25961 212 1 1 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.056 -0.538 25961 213 1 1 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.893 -1.481 25961 214 1 1 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.955 -0.000 25961 215 1 1 . 1 1 50 50 LEU H H 50 7.224 7.224 7.497 -0.273 25961 216 1 1 . 1 1 51 51 ARG N N 51 119.645 119.645 123.903 -4.258 25961 217 1 1 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.402 -1.911 25961 218 1 1 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.019 -0.203 25961 219 1 1 . 1 1 51 51 ARG H H 51 8.678 8.678 8.101 0.577 25961 220 1 1 . 1 1 52 52 VAL N N 52 119.995 119.995 118.438 1.557 25961 221 1 1 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.956 -0.733 25961 222 1 1 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.563 1.655 25961 223 1 1 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.467 -1.318 25961 224 1 1 . 1 1 52 52 VAL H H 52 8.482 8.482 8.364 0.118 25961 225 1 1 . 1 1 53 53 GLY N N 53 117.052 117.052 116.512 0.540 25961 226 1 1 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.952 -1.527 25961 227 1 1 . 1 1 53 53 GLY H H 53 9.122 9.122 8.551 0.571 25961 228 1 1 . 1 1 54 54 ASP N N 54 124.203 124.203 123.445 0.758 25961 229 1 1 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.903 -0.070 25961 230 1 1 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.386 0.348 25961 231 1 1 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.467 -1.188 25961 232 1 1 . 1 1 54 54 ASP H H 54 7.848 7.848 7.947 -0.099 25961 233 1 1 . 1 1 55 55 GLN N N 55 121.703 121.703 119.327 2.376 25961 234 1 1 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.575 0.292 25961 235 1 1 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.214 -1.688 25961 236 1 1 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.791 -1.759 25961 237 1 1 . 1 1 55 55 GLN H H 55 9.158 9.158 8.103 1.055 25961 238 1 1 . 1 1 56 56 LEU N N 56 124.733 124.733 122.771 1.962 25961 239 1 1 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.588 -0.401 25961 240 1 1 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.491 0.704 25961 241 1 1 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.319 -1.306 25961 242 1 1 . 1 1 56 56 LEU H H 56 8.770 8.770 8.433 0.337 25961 243 1 1 . 1 1 57 57 VAL N N 57 123.383 123.383 118.696 4.687 25961 244 1 1 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.348 -0.040 25961 245 1 1 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.520 1.623 25961 246 1 1 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.477 -0.842 25961 247 1 1 . 1 1 57 57 VAL H H 57 8.889 8.889 8.016 0.873 25961 248 1 1 . 1 1 58 58 ARG N N 58 118.094 118.094 119.538 -1.444 25961 249 1 1 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.845 1.493 25961 250 1 1 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.458 -3.246 25961 251 1 1 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.034 5.579 25961 252 1 1 . 1 1 58 58 ARG H H 58 8.531 8.531 7.490 1.041 25961 253 1 1 . 1 1 59 59 PHE N N 59 123.332 123.332 116.442 6.890 25961 254 1 1 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.616 0.319 25961 255 1 1 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.222 0.634 25961 256 1 1 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.962 0.009 25961 257 1 1 . 1 1 59 59 PHE H H 59 9.295 9.295 7.653 1.642 25961 258 1 1 . 1 1 60 60 ALA N N 60 127.537 127.537 125.361 2.176 25961 259 1 1 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.256 -0.669 25961 260 1 1 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.906 -0.532 25961 261 1 1 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.050 -2.577 25961 262 1 1 . 1 1 60 60 ALA H H 60 8.356 8.356 8.871 -0.515 25961 263 1 1 . 1 1 61 61 GLY N N 61 103.058 103.058 111.688 -8.630 25961 264 1 1 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.610 -0.823 25961 265 1 1 . 1 1 61 61 GLY H H 61 9.178 9.178 8.273 0.905 25961 266 1 1 . 1 1 62 62 TYR N N 62 120.218 120.218 116.619 3.599 25961 267 1 1 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.091 0.539 25961 268 1 1 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.454 -1.877 25961 269 1 1 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.388 3.504 25961 270 1 1 . 1 1 62 62 TYR H H 62 7.888 7.888 7.606 0.282 25961 271 1 1 . 1 1 63 63 THR N N 63 120.933 120.933 112.004 8.929 25961 272 1 1 . 1 1 63 63 THR HA H 63 4.479 4.479 4.811 -0.332 25961 273 1 1 . 1 1 63 63 THR CA C 63 62.851 62.851 60.495 2.356 25961 274 1 1 . 1 1 63 63 THR CB C 63 67.848 67.848 72.030 -4.182 25961 275 1 1 . 1 1 63 63 THR H H 63 9.108 9.108 7.592 1.516 25961 276 1 1 . 1 1 64 64 VAL N N 64 121.039 121.039 124.734 -3.695 25961 277 1 1 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.741 -0.142 25961 278 1 1 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.928 -2.061 25961 279 1 1 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.149 -2.145 25961 280 1 1 . 1 1 64 64 VAL H H 64 7.782 7.782 8.047 -0.265 25961 281 1 1 . 1 1 65 65 THR N N 65 114.373 114.373 118.546 -4.173 25961 282 1 1 . 1 1 65 65 THR HA H 65 4.452 4.452 4.318 0.134 25961 283 1 1 . 1 1 65 65 THR CA C 65 60.536 60.536 63.560 -3.024 25961 284 1 1 . 1 1 65 65 THR CB C 65 69.037 69.037 69.266 -0.229 25961 285 1 1 . 1 1 65 65 THR H H 65 9.053 9.053 8.581 0.472 25961 286 1 1 . 1 1 66 66 GLU N N 66 115.766 115.766 117.150 -1.384 25961 287 1 1 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.487 0.076 25961 288 1 1 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.996 -2.610 25961 289 1 1 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.377 1.188 25961 290 1 1 . 1 1 66 66 GLU H H 66 7.345 7.345 7.671 -0.326 25961 291 1 1 . 1 1 67 67 LEU N N 67 124.674 124.674 117.869 6.805 25961 292 1 1 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.598 -0.664 25961 293 1 1 . 1 1 67 67 LEU CA C 67 57.535 57.535 58.038 -0.503 25961 294 1 1 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.217 -0.164 25961 295 1 1 . 1 1 67 67 LEU H H 67 8.906 8.906 8.653 0.253 25961 296 1 1 . 1 1 68 68 ALA N N 68 120.493 120.493 121.158 -0.665 25961 297 1 1 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.001 0.135 25961 298 1 1 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.127 -0.453 25961 299 1 1 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.805 -1.284 25961 300 1 1 . 1 1 68 68 ALA H H 68 9.022 9.022 8.367 0.655 25961 301 1 1 . 1 1 69 69 ALA N N 69 119.695 119.695 121.558 -1.863 25961 302 1 1 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.261 -0.099 25961 303 1 1 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.564 -0.544 25961 304 1 1 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.774 -1.111 25961 305 1 1 . 1 1 69 69 ALA H H 69 7.258 7.258 7.612 -0.354 25961 306 1 1 . 1 1 70 70 PHE N N 70 119.274 119.274 118.960 0.314 25961 307 1 1 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.278 -0.319 25961 308 1 1 . 1 1 70 70 PHE CA C 70 60.960 60.960 58.932 2.028 25961 309 1 1 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.440 -1.008 25961 310 1 1 . 1 1 70 70 PHE H H 70 7.769 7.769 8.284 -0.515 25961 311 1 1 . 1 1 71 71 ASN N N 71 117.363 117.363 118.798 -1.435 25961 312 1 1 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.361 -0.259 25961 313 1 1 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.183 -2.486 25961 314 1 1 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.729 -2.656 25961 315 1 1 . 1 1 71 71 ASN H H 71 8.801 8.801 8.507 0.294 25961 316 1 1 . 1 1 72 72 THR N N 72 119.746 119.746 113.475 6.271 25961 317 1 1 . 1 1 72 72 THR HA H 72 4.220 4.220 3.989 0.231 25961 318 1 1 . 1 1 72 72 THR CA C 72 65.927 65.927 66.131 -0.204 25961 319 1 1 . 1 1 72 72 THR CB C 72 67.600 67.600 68.774 -1.174 25961 320 1 1 . 1 1 72 72 THR H H 72 8.109 8.109 7.412 0.697 25961 321 1 1 . 1 1 73 73 VAL N N 73 123.156 123.156 122.543 0.613 25961 322 1 1 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.267 0.188 25961 323 1 1 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.181 -0.025 25961 324 1 1 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.353 -1.017 25961 325 1 1 . 1 1 73 73 VAL H H 73 7.744 7.744 7.300 0.444 25961 326 1 1 . 1 1 74 74 VAL N N 74 120.420 120.420 119.216 1.204 25961 327 1 1 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.281 0.085 25961 328 1 1 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.863 -1.265 25961 329 1 1 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.093 -0.608 25961 330 1 1 . 1 1 74 74 VAL H H 74 8.154 8.154 7.915 0.239 25961 331 1 1 . 1 1 75 75 ALA N N 75 120.206 120.206 121.552 -1.346 25961 332 1 1 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.034 -0.039 25961 333 1 1 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.737 -0.738 25961 334 1 1 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.468 -1.504 25961 335 1 1 . 1 1 75 75 ALA H H 75 7.788 7.788 7.548 0.240 25961 336 1 1 . 1 1 76 76 ARG N N 76 114.701 114.701 116.919 -2.218 25961 337 1 1 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.159 -0.074 25961 338 1 1 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.630 -0.648 25961 339 1 1 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.942 0.742 25961 340 1 1 . 1 1 76 76 ARG H H 76 7.705 7.705 8.021 -0.316 25961 341 1 1 . 1 1 77 77 HIS N N 77 112.695 112.695 116.273 -3.578 25961 342 1 1 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.472 0.338 25961 343 1 1 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.708 -0.547 25961 344 1 1 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.079 0.954 25961 345 1 1 . 1 1 77 77 HIS H H 77 8.123 8.123 7.877 0.246 25961 346 1 1 . 1 1 78 78 VAL N N 78 119.219 119.219 120.868 -1.649 25961 347 1 1 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.928 -0.035 25961 348 1 1 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.030 -0.465 25961 349 1 1 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.237 -1.109 25961 350 1 1 . 1 1 78 78 VAL H H 78 8.034 8.034 7.831 0.203 25961 351 1 1 . 1 1 79 79 ARG N N 79 126.908 126.908 126.500 0.408 25961 352 1 1 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.014 -1.653 25961 353 1 1 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.461 -3.270 25961 354 1 1 . 1 1 79 79 ARG H H 79 7.023 7.023 7.863 -0.840 25961 355 1 1 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.524 -0.499 25961 356 1 1 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.519 0.051 25961 357 1 1 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.109 0.103 25961 358 1 1 . 1 1 81 81 SER N N 81 115.039 115.039 115.233 -0.194 25961 359 1 1 . 1 1 81 81 SER HA H 81 4.047 4.047 3.974 0.073 25961 360 1 1 . 1 1 81 81 SER CA C 81 60.713 60.713 58.822 1.891 25961 361 1 1 . 1 1 81 81 SER H H 81 8.210 8.210 8.495 -0.285 25961 362 1 1 . 1 1 82 82 ALA N N 82 123.546 123.546 124.123 -0.577 25961 363 1 1 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.519 -0.173 25961 364 1 1 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.422 0.084 25961 365 1 1 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.145 -1.050 25961 366 1 1 . 1 1 82 82 ALA H H 82 7.770 7.770 7.367 0.403 25961 367 1 1 . 1 1 83 83 SER N N 83 116.753 116.753 118.784 -2.031 25961 368 1 1 . 1 1 83 83 SER HA H 83 5.129 5.129 5.274 -0.145 25961 369 1 1 . 1 1 83 83 SER CA C 83 56.582 56.582 56.616 -0.034 25961 370 1 1 . 1 1 83 83 SER CB C 83 62.554 62.554 64.212 -1.658 25961 371 1 1 . 1 1 83 83 SER H H 83 8.524 8.524 8.448 0.076 25961 372 1 1 . 1 1 84 84 ILE N N 84 126.985 126.985 118.711 8.274 25961 373 1 1 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.779 -2.993 25961 374 1 1 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.695 -1.271 25961 375 1 1 . 1 1 84 84 ILE H H 84 9.599 9.599 8.004 1.595 25961 376 1 1 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.482 0.463 25961 377 1 1 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.779 -1.226 25961 378 1 1 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.823 -0.396 25961 379 1 1 . 1 1 86 86 VAL N N 86 123.811 123.811 122.996 0.815 25961 380 1 1 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.532 0.317 25961 381 1 1 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.546 -0.773 25961 382 1 1 . 1 1 86 86 VAL CB C 86 34.644 34.644 36.422 -1.778 25961 383 1 1 . 1 1 86 86 VAL H H 86 9.033 9.033 7.880 1.153 25961 384 1 1 . 1 1 87 87 VAL N N 87 127.839 127.839 127.386 0.453 25961 385 1 1 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.439 0.533 25961 386 1 1 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.134 -0.441 25961 387 1 1 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.725 -0.307 25961 388 1 1 . 1 1 87 87 VAL H H 87 9.132 9.132 8.421 0.711 25961 389 1 1 . 1 1 88 88 PHE N N 88 127.301 127.301 126.622 0.679 25961 390 1 1 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.543 0.075 25961 391 1 1 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.496 -0.285 25961 392 1 1 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.120 -1.118 25961 393 1 1 . 1 1 88 88 PHE H H 88 9.248 9.248 7.926 1.322 25961 394 1 1 . 1 1 89 89 SER N N 89 113.734 113.734 114.321 -0.587 25961 395 1 1 . 1 1 89 89 SER HA H 89 5.336 5.336 5.033 0.303 25961 396 1 1 . 1 1 89 89 SER CA C 89 54.452 54.452 57.126 -2.674 25961 397 1 1 . 1 1 89 89 SER CB C 89 64.474 64.474 66.626 -2.152 25961 398 1 1 . 1 1 89 89 SER H H 89 9.689 9.689 8.217 1.472 25961 399 1 1 . 1 1 90 90 ARG N N 90 128.114 128.114 125.188 2.926 25961 400 1 1 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.498 0.249 25961 401 1 1 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.538 -1.416 25961 402 1 1 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.160 1.176 25961 403 1 1 . 1 1 90 90 ARG H H 90 8.561 8.561 8.178 0.383 25961 404 1 1 . 1 1 91 91 ASP N N 91 129.790 129.790 121.332 8.458 25961 405 1 1 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.389 -0.120 25961 406 1 1 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.281 -0.780 25961 407 1 1 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.605 -0.524 25961 408 1 1 . 1 1 91 91 ASP H H 91 9.461 9.461 8.420 1.041 25961 409 1 1 . 1 1 92 92 GLY N N 92 102.404 102.404 103.281 -0.877 25961 410 1 1 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.042 -0.737 25961 411 1 1 . 1 1 92 92 GLY H H 92 8.391 8.391 8.034 0.357 25961 412 1 1 . 1 1 93 93 VAL N N 93 123.090 123.090 120.350 2.740 25961 413 1 1 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.068 -0.066 25961 414 1 1 . 1 1 93 93 VAL CA C 93 61.266 61.266 61.531 -0.265 25961 415 1 1 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.483 -1.665 25961 416 1 1 . 1 1 93 93 VAL H H 93 7.682 7.682 7.793 -0.111 25961 417 1 1 . 1 1 94 94 VAL N N 94 128.414 128.414 126.141 2.273 25961 418 1 1 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.733 0.401 25961 419 1 1 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.708 0.632 25961 420 1 1 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.018 -1.902 25961 421 1 1 . 1 1 94 94 VAL H H 94 8.400 8.400 8.203 0.197 25961 422 1 1 . 1 1 95 95 MET N N 95 129.196 129.196 128.601 0.595 25961 423 1 1 . 1 1 95 95 MET HA H 95 4.352 4.352 4.719 -0.367 25961 424 1 1 . 1 1 95 95 MET CA C 95 53.674 53.674 54.096 -0.422 25961 425 1 1 . 1 1 95 95 MET CB C 95 36.104 36.104 36.548 -0.444 25961 426 1 1 . 1 1 95 95 MET H H 95 9.100 9.100 8.079 1.021 25961 427 1 1 . 1 1 96 96 SER N N 96 111.540 111.540 116.389 -4.849 25961 428 1 1 . 1 1 96 96 SER HA H 96 5.469 5.469 5.313 0.156 25961 429 1 1 . 1 1 96 96 SER CA C 96 55.830 55.830 56.990 -1.160 25961 430 1 1 . 1 1 96 96 SER CB C 96 65.471 65.471 65.923 -0.452 25961 431 1 1 . 1 1 96 96 SER H H 96 8.004 8.004 8.230 -0.226 25961 432 1 1 . 1 1 97 97 ALA N N 97 124.079 124.079 128.531 -4.452 25961 433 1 1 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.795 -0.007 25961 434 1 1 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.980 -1.581 25961 435 1 1 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.094 0.450 25961 436 1 1 . 1 1 97 97 ALA H H 97 9.145 9.145 8.447 0.698 25961 437 1 1 . 1 1 98 98 THR N N 98 117.342 117.342 118.909 -1.567 25961 438 1 1 . 1 1 98 98 THR HA H 98 4.823 4.823 4.429 0.394 25961 439 1 1 . 1 1 98 98 THR CA C 98 61.053 61.053 62.696 -1.643 25961 440 1 1 . 1 1 98 98 THR CB C 98 69.913 69.913 68.743 1.170 25961 441 1 1 . 1 1 98 98 THR H H 98 8.754 8.754 8.460 0.294 25961 442 1 1 . 1 1 99 99 ILE N N 99 125.689 125.689 125.002 0.687 25961 443 1 1 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.550 -0.439 25961 444 1 1 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.379 -1.010 25961 445 1 1 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.099 -0.408 25961 446 1 1 . 1 1 99 99 ILE H H 99 8.868 8.868 8.042 0.826 25961 447 1 1 . 1 1 100 100 VAL N N 100 129.871 129.871 126.682 3.189 25961 448 1 1 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.306 0.360 25961 449 1 1 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.636 0.231 25961 450 1 1 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.381 -2.771 25961 451 1 1 . 1 1 100 100 VAL H H 100 8.818 8.818 8.441 0.377 25961 452 1 1 . 1 1 101 101 VAL N N 101 128.299 128.299 129.329 -1.030 25961 453 1 1 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.246 -0.877 25961 454 1 1 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.552 2.775 25961 455 1 1 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.250 -2.276 25961 456 1 1 . 1 1 101 101 VAL H H 101 8.795 8.795 7.828 0.967 25961 457 1 1 . 1 1 102 102 GLY N N 102 115.466 115.466 113.104 2.362 25961 458 1 1 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.346 -0.666 25961 459 1 1 . 1 1 102 102 GLY H H 102 8.393 8.393 8.670 -0.277 25961 460 1 1 . 1 1 103 103 GLU N N 103 119.459 119.459 125.009 -5.550 25961 461 1 1 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.416 0.539 25961 462 1 1 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.725 -2.979 25961 463 1 1 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.789 1.412 25961 464 1 1 . 1 1 103 103 GLU H H 103 8.386 8.386 8.289 0.097 25961 465 1 1 . 1 1 104 104 LEU N N 104 123.881 123.881 118.116 5.765 25961 466 1 1 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.535 0.165 25961 467 1 1 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.737 -1.171 25961 468 1 1 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.688 1.370 25961 469 1 1 . 1 1 104 104 LEU H H 104 8.735 8.735 7.823 0.912 25961 470 1 2 . 1 1 2 2 LEU N N 2 122.611 122.611 120.041 2.570 25961 471 1 2 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.740 -0.348 25961 472 1 2 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.651 -0.319 25961 473 1 2 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.751 -4.434 25961 474 1 2 . 1 1 2 2 LEU H H 2 8.535 8.535 8.836 -0.301 25961 475 1 2 . 1 1 3 3 THR N N 3 112.475 112.475 113.904 -1.429 25961 476 1 2 . 1 1 3 3 THR HA H 3 4.777 4.777 4.480 0.297 25961 477 1 2 . 1 1 3 3 THR CA C 3 59.259 59.259 60.272 -1.013 25961 478 1 2 . 1 1 3 3 THR CB C 3 70.185 70.185 70.310 -0.125 25961 479 1 2 . 1 1 3 3 THR H H 3 7.903 7.903 8.323 -0.420 25961 480 1 2 . 1 1 4 4 ARG N N 4 120.183 120.183 122.159 -1.976 25961 481 1 2 . 1 1 4 4 ARG H H 4 8.809 8.809 8.613 0.196 25961 482 1 2 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.442 -0.070 25961 483 1 2 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.492 1.525 25961 484 1 2 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.583 1.005 25961 485 1 2 . 1 1 6 6 TYR N N 6 120.727 120.727 123.146 -2.419 25961 486 1 2 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.672 -0.038 25961 487 1 2 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.341 -1.265 25961 488 1 2 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.916 -0.862 25961 489 1 2 . 1 1 6 6 TYR H H 6 7.530 7.530 8.111 -0.581 25961 490 1 2 . 1 1 7 7 LEU N N 7 126.575 126.575 120.466 6.109 25961 491 1 2 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.471 -0.064 25961 492 1 2 . 1 1 7 7 LEU H H 7 8.500 8.500 7.773 0.727 25961 493 1 2 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.071 0.636 25961 494 1 2 . 1 1 9 9 PHE N N 9 114.612 114.612 117.009 -2.397 25961 495 1 2 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.781 0.577 25961 496 1 2 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.195 -0.933 25961 497 1 2 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.668 -1.214 25961 498 1 2 . 1 1 9 9 PHE H H 9 7.102 7.102 7.400 -0.298 25961 499 1 2 . 1 1 10 10 ARG N N 10 117.800 117.800 120.426 -2.626 25961 500 1 2 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.553 0.117 25961 501 1 2 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.946 -1.547 25961 502 1 2 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.744 1.071 25961 503 1 2 . 1 1 10 10 ARG H H 10 8.206 8.206 8.486 -0.280 25961 504 1 2 . 1 1 11 11 VAL N N 11 117.216 117.216 121.370 -4.154 25961 505 1 2 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.895 0.272 25961 506 1 2 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.603 -2.413 25961 507 1 2 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.711 -1.836 25961 508 1 2 . 1 1 11 11 VAL H H 11 8.601 8.601 8.376 0.225 25961 509 1 2 . 1 1 12 12 ALA N N 12 123.025 123.025 132.534 -9.509 25961 510 1 2 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.804 -0.224 25961 511 1 2 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.903 -1.360 25961 512 1 2 . 1 1 12 12 ALA CB C 12 21.782 21.782 21.008 0.774 25961 513 1 2 . 1 1 12 12 ALA H H 12 8.861 8.861 8.170 0.691 25961 514 1 2 . 1 1 13 13 VAL N N 13 121.395 121.395 124.992 -3.597 25961 515 1 2 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.047 0.504 25961 516 1 2 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.100 -0.817 25961 517 1 2 . 1 1 13 13 VAL CB C 13 31.694 31.694 31.957 -0.263 25961 518 1 2 . 1 1 13 13 VAL H H 13 8.585 8.585 8.621 -0.036 25961 519 1 2 . 1 1 14 14 GLY N N 14 117.546 117.546 116.390 1.156 25961 520 1 2 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.037 -1.653 25961 521 1 2 . 1 1 14 14 GLY H H 14 8.789 8.789 7.828 0.961 25961 522 1 2 . 1 1 15 15 ARG N N 15 120.075 120.075 120.894 -0.819 25961 523 1 2 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.709 0.401 25961 524 1 2 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.122 -1.229 25961 525 1 2 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.495 0.261 25961 526 1 2 . 1 1 15 15 ARG H H 15 8.299 8.299 8.310 -0.011 25961 527 1 2 . 1 1 16 16 ASP N N 16 123.872 123.872 120.604 3.268 25961 528 1 2 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.728 0.017 25961 529 1 2 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.799 -1.428 25961 530 1 2 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.602 -0.850 25961 531 1 2 . 1 1 16 16 ASP H H 16 8.619 8.619 8.441 0.178 25961 532 1 2 . 1 1 17 17 SER N N 17 114.309 114.309 114.183 0.126 25961 533 1 2 . 1 1 17 17 SER HA H 17 4.196 4.196 4.297 -0.101 25961 534 1 2 . 1 1 17 17 SER CA C 17 59.950 59.950 60.506 -0.556 25961 535 1 2 . 1 1 17 17 SER CB C 17 61.825 61.825 63.531 -1.706 25961 536 1 2 . 1 1 17 17 SER H H 17 8.624 8.624 8.288 0.336 25961 537 1 2 . 1 1 18 18 SER N N 18 117.903 117.903 116.110 1.793 25961 538 1 2 . 1 1 18 18 SER HA H 18 4.597 4.597 4.436 0.161 25961 539 1 2 . 1 1 18 18 SER CA C 18 57.732 57.732 59.272 -1.540 25961 540 1 2 . 1 1 18 18 SER CB C 18 63.470 63.470 64.311 -0.841 25961 541 1 2 . 1 1 18 18 SER H H 18 8.385 8.385 7.644 0.741 25961 542 1 2 . 1 1 19 19 GLY N N 19 109.883 109.883 109.616 0.267 25961 543 1 2 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.940 -0.769 25961 544 1 2 . 1 1 19 19 GLY H H 19 8.214 8.214 8.186 0.028 25961 545 1 2 . 1 1 20 20 CYS N N 20 122.167 122.167 119.034 3.133 25961 546 1 2 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.672 -0.184 25961 547 1 2 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.352 0.685 25961 548 1 2 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.374 -1.689 25961 549 1 2 . 1 1 20 20 CYS H H 20 8.286 8.286 8.314 -0.028 25961 550 1 2 . 1 1 21 21 THR N N 21 119.387 119.387 114.919 4.468 25961 551 1 2 . 1 1 21 21 THR HA H 21 4.764 4.764 3.987 0.777 25961 552 1 2 . 1 1 21 21 THR CA C 21 61.953 61.953 63.871 -1.918 25961 553 1 2 . 1 1 21 21 THR CB C 21 68.795 68.795 67.558 1.237 25961 554 1 2 . 1 1 21 21 THR H H 21 8.626 8.626 7.952 0.674 25961 555 1 2 . 1 1 22 22 THR N N 22 116.611 116.611 116.644 -0.033 25961 556 1 2 . 1 1 22 22 THR HA H 22 4.513 4.513 4.704 -0.191 25961 557 1 2 . 1 1 22 22 THR CA C 22 58.918 58.918 59.907 -0.990 25961 558 1 2 . 1 1 22 22 THR CB C 22 71.128 71.128 71.221 -0.093 25961 559 1 2 . 1 1 22 22 THR H H 22 8.343 8.343 7.962 0.381 25961 560 1 2 . 1 1 23 23 LEU N N 23 122.893 122.893 124.160 -1.267 25961 561 1 2 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.911 0.021 25961 562 1 2 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.099 -1.612 25961 563 1 2 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.538 -2.272 25961 564 1 2 . 1 1 23 23 LEU H H 23 9.157 9.157 8.674 0.483 25961 565 1 2 . 1 1 24 24 SER N N 24 116.771 116.771 114.452 2.319 25961 566 1 2 . 1 1 24 24 SER HA H 24 5.173 5.173 4.770 0.403 25961 567 1 2 . 1 1 24 24 SER CA C 24 55.247 55.247 56.617 -1.370 25961 568 1 2 . 1 1 24 24 SER CB C 24 64.841 64.841 65.100 -0.259 25961 569 1 2 . 1 1 24 24 SER H H 24 8.656 8.656 7.911 0.745 25961 570 1 2 . 1 1 25 25 ILE N N 25 122.747 122.747 123.759 -1.012 25961 571 1 2 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.555 -0.524 25961 572 1 2 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.300 1.970 25961 573 1 2 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.504 -2.854 25961 574 1 2 . 1 1 25 25 ILE H H 25 9.023 9.023 8.194 0.829 25961 575 1 2 . 1 1 26 26 GLN N N 26 129.779 129.779 124.960 4.819 25961 576 1 2 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.429 -0.000 25961 577 1 2 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.893 -2.306 25961 578 1 2 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.084 0.192 25961 579 1 2 . 1 1 26 26 GLN H H 26 9.093 9.093 8.605 0.488 25961 580 1 2 . 1 1 27 27 GLU N N 27 118.722 118.722 117.772 0.950 25961 581 1 2 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.599 0.365 25961 582 1 2 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.314 -0.292 25961 583 1 2 . 1 1 27 27 GLU H H 27 7.479 7.479 7.950 -0.471 25961 584 1 2 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.427 0.016 25961 585 1 2 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.638 -0.483 25961 586 1 2 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.844 0.836 25961 587 1 2 . 1 1 29 29 THR N N 29 124.459 124.459 118.992 5.467 25961 588 1 2 . 1 1 29 29 THR HA H 29 4.183 4.183 4.565 -0.382 25961 589 1 2 . 1 1 29 29 THR CA C 29 62.474 62.474 63.028 -0.554 25961 590 1 2 . 1 1 29 29 THR CB C 29 68.811 68.811 68.794 0.017 25961 591 1 2 . 1 1 29 29 THR H H 29 8.009 8.009 8.673 -0.664 25961 592 1 2 . 1 1 30 30 GLN N N 30 130.053 130.053 119.297 10.756 25961 593 1 2 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.461 -0.939 25961 594 1 2 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.912 1.974 25961 595 1 2 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.503 -1.198 25961 596 1 2 . 1 1 30 30 GLN H H 30 9.321 9.321 8.408 0.913 25961 597 1 2 . 1 1 31 31 THR N N 31 111.234 111.234 107.785 3.449 25961 598 1 2 . 1 1 31 31 THR HA H 31 5.509 5.509 4.478 1.031 25961 599 1 2 . 1 1 31 31 THR CA C 31 58.798 58.798 61.029 -2.231 25961 600 1 2 . 1 1 31 31 THR CB C 31 71.374 71.374 69.360 2.014 25961 601 1 2 . 1 1 31 31 THR H H 31 7.630 7.630 7.743 -0.113 25961 602 1 2 . 1 1 32 32 TYR N N 32 121.998 121.998 121.605 0.393 25961 603 1 2 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.673 0.130 25961 604 1 2 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.166 -3.367 25961 605 1 2 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.815 -2.097 25961 606 1 2 . 1 1 32 32 TYR H H 32 9.359 9.359 7.469 1.890 25961 607 1 2 . 1 1 33 33 THR N N 33 114.039 114.039 116.523 -2.484 25961 608 1 2 . 1 1 33 33 THR HA H 33 4.390 4.390 4.667 -0.277 25961 609 1 2 . 1 1 33 33 THR CA C 33 59.896 59.896 61.659 -1.763 25961 610 1 2 . 1 1 33 33 THR CB C 33 69.135 69.135 72.284 -3.149 25961 611 1 2 . 1 1 33 33 THR H H 33 7.985 7.985 8.098 -0.113 25961 612 1 2 . 1 1 34 34 GLY N N 34 113.445 113.445 110.805 2.640 25961 613 1 2 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.585 -1.513 25961 614 1 2 . 1 1 34 34 GLY H H 34 8.698 8.698 8.610 0.088 25961 615 1 2 . 1 1 35 35 SER N N 35 113.837 113.837 116.947 -3.110 25961 616 1 2 . 1 1 35 35 SER HA H 35 4.264 4.264 4.611 -0.347 25961 617 1 2 . 1 1 35 35 SER CA C 35 57.651 57.651 57.802 -0.151 25961 618 1 2 . 1 1 35 35 SER CB C 35 63.056 63.056 64.369 -1.313 25961 619 1 2 . 1 1 35 35 SER H H 35 8.039 8.039 7.940 0.099 25961 620 1 2 . 1 1 36 36 ASN N N 36 119.749 119.749 121.107 -1.358 25961 621 1 2 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.435 0.149 25961 622 1 2 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.416 -1.635 25961 623 1 2 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.002 -0.816 25961 624 1 2 . 1 1 36 36 ASN H H 36 8.767 8.767 9.006 -0.239 25961 625 1 2 . 1 1 37 37 GLY N N 37 110.628 110.628 102.613 8.015 25961 626 1 2 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.292 -0.707 25961 627 1 2 . 1 1 37 37 GLY H H 37 8.496 8.496 7.735 0.761 25961 628 1 2 . 1 1 38 38 GLY N N 38 108.654 108.654 109.962 -1.308 25961 629 1 2 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.396 -1.296 25961 630 1 2 . 1 1 38 38 GLY H H 38 7.955 7.955 8.219 -0.264 25961 631 1 2 . 1 1 39 39 ALA N N 39 123.326 123.326 125.606 -2.280 25961 632 1 2 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.314 -0.103 25961 633 1 2 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.733 -0.895 25961 634 1 2 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.393 -1.664 25961 635 1 2 . 1 1 39 39 ALA H H 39 8.028 8.028 7.302 0.726 25961 636 1 2 . 1 1 40 40 ASP N N 40 119.573 119.573 119.614 -0.041 25961 637 1 2 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.380 0.007 25961 638 1 2 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.291 -0.297 25961 639 1 2 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.388 -0.761 25961 640 1 2 . 1 1 40 40 ASP H H 40 8.261 8.261 8.155 0.106 25961 641 1 2 . 1 1 41 41 LEU N N 41 123.899 123.899 123.257 0.642 25961 642 1 2 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.431 0.011 25961 643 1 2 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.415 -2.194 25961 644 1 2 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.793 -2.784 25961 645 1 2 . 1 1 41 41 LEU H H 41 8.663 8.663 8.004 0.659 25961 646 1 2 . 1 1 42 42 MET N N 42 119.684 119.684 119.308 0.376 25961 647 1 2 . 1 1 42 42 MET HA H 42 4.730 4.730 4.731 -0.001 25961 648 1 2 . 1 1 42 42 MET CA C 42 54.695 54.695 54.926 -0.231 25961 649 1 2 . 1 1 42 42 MET CB C 42 32.194 32.194 33.103 -0.909 25961 650 1 2 . 1 1 42 42 MET H H 42 8.553 8.553 8.096 0.457 25961 651 1 2 . 1 1 43 43 GLY N N 43 113.052 113.052 113.705 -0.653 25961 652 1 2 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.321 -2.943 25961 653 1 2 . 1 1 43 43 GLY H H 43 8.618 8.618 8.633 -0.015 25961 654 1 2 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.434 0.286 25961 655 1 2 . 1 1 44 44 PRO CA C 44 61.231 61.231 65.027 -3.796 25961 656 1 2 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.441 0.512 25961 657 1 2 . 1 1 45 45 ALA N N 45 120.693 120.693 122.072 -1.379 25961 658 1 2 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.133 -0.149 25961 659 1 2 . 1 1 45 45 ALA CA C 45 53.804 53.804 55.078 -1.274 25961 660 1 2 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.017 -0.050 25961 661 1 2 . 1 1 45 45 ALA H H 45 7.524 7.524 8.242 -0.718 25961 662 1 2 . 1 1 46 46 PHE N N 46 122.306 122.306 118.053 4.253 25961 663 1 2 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.228 -0.266 25961 664 1 2 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.635 0.691 25961 665 1 2 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.072 -0.452 25961 666 1 2 . 1 1 46 46 PHE H H 46 8.603 8.603 8.170 0.433 25961 667 1 2 . 1 1 47 47 ALA N N 47 123.253 123.253 121.232 2.021 25961 668 1 2 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.123 -0.035 25961 669 1 2 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.298 -0.347 25961 670 1 2 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.276 -0.629 25961 671 1 2 . 1 1 47 47 ALA H H 47 9.199 9.199 7.716 1.483 25961 672 1 2 . 1 1 48 48 ALA N N 48 117.571 117.571 119.396 -1.825 25961 673 1 2 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.215 0.088 25961 674 1 2 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.193 -0.506 25961 675 1 2 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.924 -1.152 25961 676 1 2 . 1 1 48 48 ALA H H 48 7.262 7.262 7.605 -0.343 25961 677 1 2 . 1 1 49 49 GLY N N 49 103.229 103.229 105.209 -1.980 25961 678 1 2 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.567 -0.948 25961 679 1 2 . 1 1 49 49 GLY H H 49 7.461 7.461 7.616 -0.155 25961 680 1 2 . 1 1 50 50 LEU N N 50 120.470 120.470 123.278 -2.808 25961 681 1 2 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.154 -0.636 25961 682 1 2 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.415 -1.003 25961 683 1 2 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.494 0.461 25961 684 1 2 . 1 1 50 50 LEU H H 50 7.224 7.224 8.132 -0.908 25961 685 1 2 . 1 1 51 51 ARG N N 51 119.645 119.645 124.247 -4.602 25961 686 1 2 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.456 -1.965 25961 687 1 2 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.330 -0.514 25961 688 1 2 . 1 1 51 51 ARG H H 51 8.678 8.678 8.108 0.570 25961 689 1 2 . 1 1 52 52 VAL N N 52 119.995 119.995 120.024 -0.029 25961 690 1 2 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.722 -0.499 25961 691 1 2 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.432 0.786 25961 692 1 2 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.440 -1.291 25961 693 1 2 . 1 1 52 52 VAL H H 52 8.482 8.482 8.500 -0.018 25961 694 1 2 . 1 1 53 53 GLY N N 53 117.052 117.052 115.835 1.217 25961 695 1 2 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.803 -1.378 25961 696 1 2 . 1 1 53 53 GLY H H 53 9.122 9.122 9.087 0.035 25961 697 1 2 . 1 1 54 54 ASP N N 54 124.203 124.203 124.295 -0.092 25961 698 1 2 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.665 0.168 25961 699 1 2 . 1 1 54 54 ASP CA C 54 54.734 54.734 55.571 -0.837 25961 700 1 2 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.595 -1.316 25961 701 1 2 . 1 1 54 54 ASP H H 54 7.848 7.848 7.754 0.094 25961 702 1 2 . 1 1 55 55 GLN N N 55 121.703 121.703 119.129 2.574 25961 703 1 2 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.619 0.248 25961 704 1 2 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.494 -1.968 25961 705 1 2 . 1 1 55 55 GLN CB C 55 29.032 29.032 31.388 -2.356 25961 706 1 2 . 1 1 55 55 GLN H H 55 9.158 9.158 8.087 1.071 25961 707 1 2 . 1 1 56 56 LEU N N 56 124.733 124.733 122.549 2.184 25961 708 1 2 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.706 -0.519 25961 709 1 2 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.903 1.292 25961 710 1 2 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.841 -0.828 25961 711 1 2 . 1 1 56 56 LEU H H 56 8.770 8.770 8.447 0.323 25961 712 1 2 . 1 1 57 57 VAL N N 57 123.383 123.383 120.335 3.048 25961 713 1 2 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.324 -0.016 25961 714 1 2 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.915 1.228 25961 715 1 2 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.503 -0.868 25961 716 1 2 . 1 1 57 57 VAL H H 57 8.889 8.889 8.188 0.701 25961 717 1 2 . 1 1 58 58 ARG N N 58 118.094 118.094 117.876 0.218 25961 718 1 2 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.850 1.488 25961 719 1 2 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.369 -3.157 25961 720 1 2 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.186 6.427 25961 721 1 2 . 1 1 58 58 ARG H H 58 8.531 8.531 7.642 0.889 25961 722 1 2 . 1 1 59 59 PHE N N 59 123.332 123.332 116.556 6.776 25961 723 1 2 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.646 0.289 25961 724 1 2 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.990 0.866 25961 725 1 2 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.333 0.638 25961 726 1 2 . 1 1 59 59 PHE H H 59 9.295 9.295 7.645 1.650 25961 727 1 2 . 1 1 60 60 ALA N N 60 127.537 127.537 125.373 2.164 25961 728 1 2 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.397 -0.810 25961 729 1 2 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.764 -0.390 25961 730 1 2 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.489 -3.016 25961 731 1 2 . 1 1 60 60 ALA H H 60 8.356 8.356 8.778 -0.422 25961 732 1 2 . 1 1 61 61 GLY N N 61 103.058 103.058 112.525 -9.467 25961 733 1 2 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.320 -0.533 25961 734 1 2 . 1 1 61 61 GLY H H 61 9.178 9.178 7.864 1.314 25961 735 1 2 . 1 1 62 62 TYR N N 62 120.218 120.218 116.808 3.410 25961 736 1 2 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.134 0.496 25961 737 1 2 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.412 -1.835 25961 738 1 2 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.325 3.567 25961 739 1 2 . 1 1 62 62 TYR H H 62 7.888 7.888 7.699 0.189 25961 740 1 2 . 1 1 63 63 THR N N 63 120.933 120.933 111.752 9.181 25961 741 1 2 . 1 1 63 63 THR HA H 63 4.479 4.479 4.992 -0.513 25961 742 1 2 . 1 1 63 63 THR CA C 63 62.851 62.851 60.319 2.532 25961 743 1 2 . 1 1 63 63 THR CB C 63 67.848 67.848 72.054 -4.206 25961 744 1 2 . 1 1 63 63 THR H H 63 9.108 9.108 7.597 1.511 25961 745 1 2 . 1 1 64 64 VAL N N 64 121.039 121.039 124.562 -3.523 25961 746 1 2 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.739 -0.140 25961 747 1 2 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.720 -0.853 25961 748 1 2 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.359 -2.355 25961 749 1 2 . 1 1 64 64 VAL H H 64 7.782 7.782 8.334 -0.552 25961 750 1 2 . 1 1 65 65 THR N N 65 114.373 114.373 119.007 -4.634 25961 751 1 2 . 1 1 65 65 THR HA H 65 4.452 4.452 4.447 0.005 25961 752 1 2 . 1 1 65 65 THR CA C 65 60.536 60.536 63.831 -3.295 25961 753 1 2 . 1 1 65 65 THR CB C 65 69.037 69.037 69.310 -0.273 25961 754 1 2 . 1 1 65 65 THR H H 65 9.053 9.053 8.519 0.534 25961 755 1 2 . 1 1 66 66 GLU N N 66 115.766 115.766 119.252 -3.486 25961 756 1 2 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.395 0.168 25961 757 1 2 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.928 -2.541 25961 758 1 2 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.385 1.180 25961 759 1 2 . 1 1 66 66 GLU H H 66 7.345 7.345 7.975 -0.630 25961 760 1 2 . 1 1 67 67 LEU N N 67 124.674 124.674 118.071 6.603 25961 761 1 2 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.448 -0.514 25961 762 1 2 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.777 -0.242 25961 763 1 2 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.694 0.359 25961 764 1 2 . 1 1 67 67 LEU H H 67 8.906 8.906 8.509 0.397 25961 765 1 2 . 1 1 68 68 ALA N N 68 120.493 120.493 121.043 -0.550 25961 766 1 2 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.095 0.041 25961 767 1 2 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.889 -0.215 25961 768 1 2 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.989 -1.468 25961 769 1 2 . 1 1 68 68 ALA H H 68 9.022 9.022 8.402 0.620 25961 770 1 2 . 1 1 69 69 ALA N N 69 119.695 119.695 121.209 -1.514 25961 771 1 2 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.247 -0.085 25961 772 1 2 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.511 -0.491 25961 773 1 2 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.867 -1.204 25961 774 1 2 . 1 1 69 69 ALA H H 69 7.258 7.258 7.639 -0.381 25961 775 1 2 . 1 1 70 70 PHE N N 70 119.274 119.274 118.856 0.418 25961 776 1 2 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.086 -0.127 25961 777 1 2 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.376 0.584 25961 778 1 2 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.576 -1.144 25961 779 1 2 . 1 1 70 70 PHE H H 70 7.769 7.769 8.051 -0.282 25961 780 1 2 . 1 1 71 71 ASN N N 71 117.363 117.363 117.702 -0.339 25961 781 1 2 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.240 -0.138 25961 782 1 2 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.172 -2.475 25961 783 1 2 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.617 -2.544 25961 784 1 2 . 1 1 71 71 ASN H H 71 8.801 8.801 8.166 0.635 25961 785 1 2 . 1 1 72 72 THR N N 72 119.746 119.746 112.556 7.190 25961 786 1 2 . 1 1 72 72 THR HA H 72 4.220 4.220 4.100 0.120 25961 787 1 2 . 1 1 72 72 THR CA C 72 65.927 65.927 65.223 0.704 25961 788 1 2 . 1 1 72 72 THR CB C 72 67.600 67.600 68.372 -0.772 25961 789 1 2 . 1 1 72 72 THR H H 72 8.109 8.109 7.615 0.494 25961 790 1 2 . 1 1 73 73 VAL N N 73 123.156 123.156 121.717 1.439 25961 791 1 2 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.623 -0.168 25961 792 1 2 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.467 0.689 25961 793 1 2 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.683 -0.346 25961 794 1 2 . 1 1 73 73 VAL H H 73 7.744 7.744 7.285 0.459 25961 795 1 2 . 1 1 74 74 VAL N N 74 120.420 120.420 119.742 0.678 25961 796 1 2 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.298 0.068 25961 797 1 2 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.546 -0.948 25961 798 1 2 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.131 0.354 25961 799 1 2 . 1 1 74 74 VAL H H 74 8.154 8.154 8.102 0.052 25961 800 1 2 . 1 1 75 75 ALA N N 75 120.206 120.206 121.872 -1.666 25961 801 1 2 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.989 0.006 25961 802 1 2 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.971 -0.972 25961 803 1 2 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.650 -1.686 25961 804 1 2 . 1 1 75 75 ALA H H 75 7.788 7.788 7.371 0.417 25961 805 1 2 . 1 1 76 76 ARG N N 76 114.701 114.701 114.607 0.094 25961 806 1 2 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.203 -0.118 25961 807 1 2 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.869 -0.887 25961 808 1 2 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.797 0.887 25961 809 1 2 . 1 1 76 76 ARG H H 76 7.705 7.705 7.646 0.059 25961 810 1 2 . 1 1 77 77 HIS N N 77 112.695 112.695 117.483 -4.788 25961 811 1 2 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.462 0.348 25961 812 1 2 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.271 -1.110 25961 813 1 2 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.505 0.528 25961 814 1 2 . 1 1 77 77 HIS H H 77 8.123 8.123 8.031 0.092 25961 815 1 2 . 1 1 78 78 VAL N N 78 119.219 119.219 118.149 1.070 25961 816 1 2 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.877 0.016 25961 817 1 2 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.630 -0.065 25961 818 1 2 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.904 -1.776 25961 819 1 2 . 1 1 78 78 VAL H H 78 8.034 8.034 8.022 0.012 25961 820 1 2 . 1 1 79 79 ARG N N 79 126.908 126.908 124.354 2.554 25961 821 1 2 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.496 -1.135 25961 822 1 2 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.691 -3.501 25961 823 1 2 . 1 1 79 79 ARG H H 79 7.023 7.023 7.767 -0.744 25961 824 1 2 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.496 -0.471 25961 825 1 2 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.586 -0.015 25961 826 1 2 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.609 0.603 25961 827 1 2 . 1 1 81 81 SER N N 81 115.039 115.039 115.086 -0.047 25961 828 1 2 . 1 1 81 81 SER HA H 81 4.047 4.047 3.952 0.095 25961 829 1 2 . 1 1 81 81 SER CA C 81 60.713 60.713 59.294 1.419 25961 830 1 2 . 1 1 81 81 SER H H 81 8.210 8.210 8.326 -0.116 25961 831 1 2 . 1 1 82 82 ALA N N 82 123.546 123.546 122.996 0.550 25961 832 1 2 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.638 -0.292 25961 833 1 2 . 1 1 82 82 ALA CA C 82 51.506 51.506 50.869 0.637 25961 834 1 2 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.030 -1.935 25961 835 1 2 . 1 1 82 82 ALA H H 82 7.770 7.770 7.308 0.462 25961 836 1 2 . 1 1 83 83 SER N N 83 116.753 116.753 118.456 -1.703 25961 837 1 2 . 1 1 83 83 SER HA H 83 5.129 5.129 5.290 -0.161 25961 838 1 2 . 1 1 83 83 SER CA C 83 56.582 56.582 57.030 -0.448 25961 839 1 2 . 1 1 83 83 SER CB C 83 62.554 62.554 64.468 -1.914 25961 840 1 2 . 1 1 83 83 SER H H 83 8.524 8.524 8.476 0.048 25961 841 1 2 . 1 1 84 84 ILE N N 84 126.985 126.985 117.405 9.580 25961 842 1 2 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.194 -2.409 25961 843 1 2 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.692 -0.268 25961 844 1 2 . 1 1 84 84 ILE H H 84 9.599 9.599 8.331 1.268 25961 845 1 2 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.475 0.470 25961 846 1 2 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.845 -1.291 25961 847 1 2 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.948 -0.521 25961 848 1 2 . 1 1 86 86 VAL N N 86 123.811 123.811 125.210 -1.399 25961 849 1 2 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.359 0.490 25961 850 1 2 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.031 -1.258 25961 851 1 2 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.479 -0.835 25961 852 1 2 . 1 1 86 86 VAL H H 86 9.033 9.033 8.177 0.856 25961 853 1 2 . 1 1 87 87 VAL N N 87 127.839 127.839 126.113 1.726 25961 854 1 2 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.529 0.443 25961 855 1 2 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.428 0.265 25961 856 1 2 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.194 -0.776 25961 857 1 2 . 1 1 87 87 VAL H H 87 9.132 9.132 8.530 0.602 25961 858 1 2 . 1 1 88 88 PHE N N 88 127.301 127.301 126.519 0.782 25961 859 1 2 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.387 0.231 25961 860 1 2 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.961 -0.750 25961 861 1 2 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.434 -1.433 25961 862 1 2 . 1 1 88 88 PHE H H 88 9.248 9.248 8.086 1.162 25961 863 1 2 . 1 1 89 89 SER N N 89 113.734 113.734 114.600 -0.866 25961 864 1 2 . 1 1 89 89 SER HA H 89 5.336 5.336 4.895 0.441 25961 865 1 2 . 1 1 89 89 SER CA C 89 54.452 54.452 56.741 -2.289 25961 866 1 2 . 1 1 89 89 SER CB C 89 64.474 64.474 66.264 -1.790 25961 867 1 2 . 1 1 89 89 SER H H 89 9.689 9.689 8.174 1.515 25961 868 1 2 . 1 1 90 90 ARG N N 90 128.114 128.114 125.239 2.875 25961 869 1 2 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.451 0.296 25961 870 1 2 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.608 -1.486 25961 871 1 2 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.826 1.510 25961 872 1 2 . 1 1 90 90 ARG H H 90 8.561 8.561 8.105 0.456 25961 873 1 2 . 1 1 91 91 ASP N N 91 129.790 129.790 121.367 8.423 25961 874 1 2 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.370 -0.101 25961 875 1 2 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.321 -0.820 25961 876 1 2 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.986 0.095 25961 877 1 2 . 1 1 91 91 ASP H H 91 9.461 9.461 8.726 0.735 25961 878 1 2 . 1 1 92 92 GLY N N 92 102.404 102.404 102.753 -0.349 25961 879 1 2 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.107 -0.802 25961 880 1 2 . 1 1 92 92 GLY H H 92 8.391 8.391 8.280 0.111 25961 881 1 2 . 1 1 93 93 VAL N N 93 123.090 123.090 119.963 3.127 25961 882 1 2 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.056 -0.054 25961 883 1 2 . 1 1 93 93 VAL CA C 93 61.266 61.266 61.232 0.034 25961 884 1 2 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.764 -1.946 25961 885 1 2 . 1 1 93 93 VAL H H 93 7.682 7.682 7.545 0.137 25961 886 1 2 . 1 1 94 94 VAL N N 94 128.414 128.414 125.606 2.808 25961 887 1 2 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.733 0.401 25961 888 1 2 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.653 0.687 25961 889 1 2 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.006 -1.890 25961 890 1 2 . 1 1 94 94 VAL H H 94 8.400 8.400 8.117 0.283 25961 891 1 2 . 1 1 95 95 MET N N 95 129.196 129.196 128.980 0.216 25961 892 1 2 . 1 1 95 95 MET HA H 95 4.352 4.352 4.706 -0.354 25961 893 1 2 . 1 1 95 95 MET CA C 95 53.674 53.674 54.058 -0.384 25961 894 1 2 . 1 1 95 95 MET CB C 95 36.104 36.104 36.610 -0.506 25961 895 1 2 . 1 1 95 95 MET H H 95 9.100 9.100 7.980 1.120 25961 896 1 2 . 1 1 96 96 SER N N 96 111.540 111.540 117.808 -6.268 25961 897 1 2 . 1 1 96 96 SER HA H 96 5.469 5.469 5.086 0.383 25961 898 1 2 . 1 1 96 96 SER CA C 96 55.830 55.830 57.230 -1.400 25961 899 1 2 . 1 1 96 96 SER CB C 96 65.471 65.471 65.328 0.143 25961 900 1 2 . 1 1 96 96 SER H H 96 8.004 8.004 8.336 -0.332 25961 901 1 2 . 1 1 97 97 ALA N N 97 124.079 124.079 128.820 -4.741 25961 902 1 2 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.794 -0.006 25961 903 1 2 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.961 -1.562 25961 904 1 2 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.143 0.401 25961 905 1 2 . 1 1 97 97 ALA H H 97 9.145 9.145 8.435 0.710 25961 906 1 2 . 1 1 98 98 THR N N 98 117.342 117.342 118.176 -0.834 25961 907 1 2 . 1 1 98 98 THR HA H 98 4.823 4.823 4.309 0.514 25961 908 1 2 . 1 1 98 98 THR CA C 98 61.053 61.053 62.991 -1.938 25961 909 1 2 . 1 1 98 98 THR CB C 98 69.913 69.913 69.174 0.739 25961 910 1 2 . 1 1 98 98 THR H H 98 8.754 8.754 8.365 0.389 25961 911 1 2 . 1 1 99 99 ILE N N 99 125.689 125.689 128.415 -2.726 25961 912 1 2 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.359 -0.248 25961 913 1 2 . 1 1 99 99 ILE CA C 99 59.369 59.369 58.629 0.740 25961 914 1 2 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.232 1.459 25961 915 1 2 . 1 1 99 99 ILE H H 99 8.868 8.868 8.047 0.821 25961 916 1 2 . 1 1 100 100 VAL N N 100 129.871 129.871 121.920 7.951 25961 917 1 2 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.357 0.309 25961 918 1 2 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.849 0.018 25961 919 1 2 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.322 -2.712 25961 920 1 2 . 1 1 100 100 VAL H H 100 8.818 8.818 8.333 0.485 25961 921 1 2 . 1 1 101 101 VAL N N 101 128.299 128.299 126.609 1.690 25961 922 1 2 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.297 -0.928 25961 923 1 2 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.284 3.043 25961 924 1 2 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.460 -2.486 25961 925 1 2 . 1 1 101 101 VAL H H 101 8.795 8.795 7.683 1.113 25961 926 1 2 . 1 1 102 102 GLY N N 102 115.466 115.466 113.355 2.111 25961 927 1 2 . 1 1 102 102 GLY CA C 102 43.680 43.680 43.883 -0.202 25961 928 1 2 . 1 1 102 102 GLY H H 102 8.393 8.393 8.720 -0.327 25961 929 1 2 . 1 1 103 103 GLU N N 103 119.459 119.459 126.113 -6.654 25961 930 1 2 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.306 0.649 25961 931 1 2 . 1 1 103 103 GLU CA C 103 54.746 54.746 58.381 -3.635 25961 932 1 2 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.395 1.806 25961 933 1 2 . 1 1 103 103 GLU H H 103 8.386 8.386 8.069 0.317 25961 934 1 2 . 1 1 104 104 LEU N N 104 123.881 123.881 119.583 4.298 25961 935 1 2 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.488 0.212 25961 936 1 2 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.119 -0.552 25961 937 1 2 . 1 1 104 104 LEU CB C 104 44.058 44.058 39.850 4.208 25961 938 1 2 . 1 1 104 104 LEU H H 104 8.735 8.735 7.936 0.799 25961 939 1 3 . 1 1 2 2 LEU N N 2 122.611 122.611 115.690 6.921 25961 940 1 3 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.883 -0.491 25961 941 1 3 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.312 0.020 25961 942 1 3 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.021 -2.704 25961 943 1 3 . 1 1 2 2 LEU H H 2 8.535 8.535 9.073 -0.538 25961 944 1 3 . 1 1 3 3 THR N N 3 112.475 112.475 113.396 -0.921 25961 945 1 3 . 1 1 3 3 THR HA H 3 4.777 4.777 4.503 0.274 25961 946 1 3 . 1 1 3 3 THR CA C 3 59.259 59.259 60.660 -1.401 25961 947 1 3 . 1 1 3 3 THR CB C 3 70.185 70.185 70.977 -0.792 25961 948 1 3 . 1 1 3 3 THR H H 3 7.903 7.903 8.121 -0.218 25961 949 1 3 . 1 1 4 4 ARG N N 4 120.183 120.183 124.004 -3.821 25961 950 1 3 . 1 1 4 4 ARG H H 4 8.809 8.809 8.182 0.627 25961 951 1 3 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.495 -0.123 25961 952 1 3 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.387 1.630 25961 953 1 3 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.425 1.163 25961 954 1 3 . 1 1 6 6 TYR N N 6 120.727 120.727 122.395 -1.668 25961 955 1 3 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.636 -0.002 25961 956 1 3 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.415 -1.339 25961 957 1 3 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.668 -0.614 25961 958 1 3 . 1 1 6 6 TYR H H 6 7.530 7.530 8.209 -0.679 25961 959 1 3 . 1 1 7 7 LEU N N 7 126.575 126.575 121.714 4.861 25961 960 1 3 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.245 0.162 25961 961 1 3 . 1 1 7 7 LEU H H 7 8.500 8.500 8.136 0.364 25961 962 1 3 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.961 0.746 25961 963 1 3 . 1 1 9 9 PHE N N 9 114.612 114.612 116.200 -1.588 25961 964 1 3 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.811 0.547 25961 965 1 3 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.125 -0.863 25961 966 1 3 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.673 -1.219 25961 967 1 3 . 1 1 9 9 PHE H H 9 7.102 7.102 7.069 0.033 25961 968 1 3 . 1 1 10 10 ARG N N 10 117.800 117.800 120.692 -2.892 25961 969 1 3 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.792 -0.121 25961 970 1 3 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.087 -1.688 25961 971 1 3 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.781 1.034 25961 972 1 3 . 1 1 10 10 ARG H H 10 8.206 8.206 8.633 -0.427 25961 973 1 3 . 1 1 11 11 VAL N N 11 117.216 117.216 118.294 -1.078 25961 974 1 3 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.182 -0.015 25961 975 1 3 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.947 -1.757 25961 976 1 3 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.264 -0.389 25961 977 1 3 . 1 1 11 11 VAL H H 11 8.601 8.601 8.411 0.190 25961 978 1 3 . 1 1 12 12 ALA N N 12 123.025 123.025 130.405 -7.380 25961 979 1 3 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.829 -0.249 25961 980 1 3 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.925 -1.382 25961 981 1 3 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.919 0.863 25961 982 1 3 . 1 1 12 12 ALA H H 12 8.861 8.861 8.101 0.760 25961 983 1 3 . 1 1 13 13 VAL N N 13 121.395 121.395 123.451 -2.056 25961 984 1 3 . 1 1 13 13 VAL HA H 13 4.551 4.551 3.985 0.566 25961 985 1 3 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.446 -1.163 25961 986 1 3 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.393 -0.699 25961 987 1 3 . 1 1 13 13 VAL H H 13 8.585 8.585 8.760 -0.175 25961 988 1 3 . 1 1 14 14 GLY N N 14 117.546 117.546 115.821 1.725 25961 989 1 3 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.540 -2.156 25961 990 1 3 . 1 1 14 14 GLY H H 14 8.789 8.789 8.241 0.548 25961 991 1 3 . 1 1 15 15 ARG N N 15 120.075 120.075 121.159 -1.084 25961 992 1 3 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.767 0.343 25961 993 1 3 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.646 -0.753 25961 994 1 3 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.427 0.329 25961 995 1 3 . 1 1 15 15 ARG H H 15 8.299 8.299 8.363 -0.064 25961 996 1 3 . 1 1 16 16 ASP N N 16 123.872 123.872 120.271 3.601 25961 997 1 3 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.709 0.036 25961 998 1 3 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.951 -1.580 25961 999 1 3 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.875 -1.123 25961 1000 1 3 . 1 1 16 16 ASP H H 16 8.619 8.619 8.449 0.170 25961 1001 1 3 . 1 1 17 17 SER N N 17 114.309 114.309 113.693 0.616 25961 1002 1 3 . 1 1 17 17 SER HA H 17 4.196 4.196 4.271 -0.075 25961 1003 1 3 . 1 1 17 17 SER CA C 17 59.950 59.950 60.216 -0.266 25961 1004 1 3 . 1 1 17 17 SER CB C 17 61.825 61.825 63.525 -1.700 25961 1005 1 3 . 1 1 17 17 SER H H 17 8.624 8.624 8.292 0.332 25961 1006 1 3 . 1 1 18 18 SER N N 18 117.903 117.903 114.918 2.985 25961 1007 1 3 . 1 1 18 18 SER HA H 18 4.597 4.597 4.449 0.148 25961 1008 1 3 . 1 1 18 18 SER CA C 18 57.732 57.732 58.850 -1.118 25961 1009 1 3 . 1 1 18 18 SER CB C 18 63.470 63.470 64.400 -0.930 25961 1010 1 3 . 1 1 18 18 SER H H 18 8.385 8.385 7.781 0.604 25961 1011 1 3 . 1 1 19 19 GLY N N 19 109.883 109.883 109.807 0.076 25961 1012 1 3 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.101 -0.930 25961 1013 1 3 . 1 1 19 19 GLY H H 19 8.214 8.214 8.122 0.092 25961 1014 1 3 . 1 1 20 20 CYS N N 20 122.167 122.167 119.661 2.506 25961 1015 1 3 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.685 -0.197 25961 1016 1 3 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.166 0.871 25961 1017 1 3 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.389 -1.704 25961 1018 1 3 . 1 1 20 20 CYS H H 20 8.286 8.286 8.235 0.051 25961 1019 1 3 . 1 1 21 21 THR N N 21 119.387 119.387 114.766 4.621 25961 1020 1 3 . 1 1 21 21 THR HA H 21 4.764 4.764 3.996 0.768 25961 1021 1 3 . 1 1 21 21 THR CA C 21 61.953 61.953 63.614 -1.661 25961 1022 1 3 . 1 1 21 21 THR CB C 21 68.795 68.795 66.963 1.832 25961 1023 1 3 . 1 1 21 21 THR H H 21 8.626 8.626 7.987 0.639 25961 1024 1 3 . 1 1 22 22 THR N N 22 116.611 116.611 115.432 1.179 25961 1025 1 3 . 1 1 22 22 THR HA H 22 4.513 4.513 4.728 -0.215 25961 1026 1 3 . 1 1 22 22 THR CA C 22 58.918 58.918 60.305 -1.387 25961 1027 1 3 . 1 1 22 22 THR CB C 22 71.128 71.128 70.748 0.380 25961 1028 1 3 . 1 1 22 22 THR H H 22 8.343 8.343 7.795 0.549 25961 1029 1 3 . 1 1 23 23 LEU N N 23 122.893 122.893 123.879 -0.986 25961 1030 1 3 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.917 0.015 25961 1031 1 3 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.152 -1.665 25961 1032 1 3 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.246 -1.981 25961 1033 1 3 . 1 1 23 23 LEU H H 23 9.157 9.157 8.641 0.516 25961 1034 1 3 . 1 1 24 24 SER N N 24 116.771 116.771 114.007 2.764 25961 1035 1 3 . 1 1 24 24 SER HA H 24 5.173 5.173 4.715 0.458 25961 1036 1 3 . 1 1 24 24 SER CA C 24 55.247 55.247 56.394 -1.147 25961 1037 1 3 . 1 1 24 24 SER CB C 24 64.841 64.841 64.740 0.101 25961 1038 1 3 . 1 1 24 24 SER H H 24 8.656 8.656 8.053 0.603 25961 1039 1 3 . 1 1 25 25 ILE N N 25 122.747 122.747 124.424 -1.677 25961 1040 1 3 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.865 -0.834 25961 1041 1 3 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.316 1.954 25961 1042 1 3 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.802 -3.153 25961 1043 1 3 . 1 1 25 25 ILE H H 25 9.023 9.023 8.533 0.490 25961 1044 1 3 . 1 1 26 26 GLN N N 26 129.779 129.779 125.307 4.472 25961 1045 1 3 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.412 0.017 25961 1046 1 3 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.603 -2.016 25961 1047 1 3 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.320 -0.044 25961 1048 1 3 . 1 1 26 26 GLN H H 26 9.093 9.093 8.445 0.648 25961 1049 1 3 . 1 1 27 27 GLU N N 27 118.722 118.722 117.236 1.486 25961 1050 1 3 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.420 0.544 25961 1051 1 3 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.820 0.202 25961 1052 1 3 . 1 1 27 27 GLU H H 27 7.479 7.479 8.020 -0.541 25961 1053 1 3 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.373 0.070 25961 1054 1 3 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.797 -0.642 25961 1055 1 3 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.694 0.986 25961 1056 1 3 . 1 1 29 29 THR N N 29 124.459 124.459 119.211 5.248 25961 1057 1 3 . 1 1 29 29 THR HA H 29 4.183 4.183 4.688 -0.505 25961 1058 1 3 . 1 1 29 29 THR CA C 29 62.474 62.474 62.164 0.310 25961 1059 1 3 . 1 1 29 29 THR CB C 29 68.811 68.811 69.529 -0.718 25961 1060 1 3 . 1 1 29 29 THR H H 29 8.009 8.009 8.635 -0.626 25961 1061 1 3 . 1 1 30 30 GLN N N 30 130.053 130.053 119.912 10.141 25961 1062 1 3 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.333 -0.811 25961 1063 1 3 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.540 1.346 25961 1064 1 3 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.672 -1.367 25961 1065 1 3 . 1 1 30 30 GLN H H 30 9.321 9.321 8.614 0.707 25961 1066 1 3 . 1 1 31 31 THR N N 31 111.234 111.234 107.813 3.421 25961 1067 1 3 . 1 1 31 31 THR HA H 31 5.509 5.509 4.472 1.037 25961 1068 1 3 . 1 1 31 31 THR CA C 31 58.798 58.798 60.879 -2.081 25961 1069 1 3 . 1 1 31 31 THR CB C 31 71.374 71.374 69.314 2.061 25961 1070 1 3 . 1 1 31 31 THR H H 31 7.630 7.630 7.765 -0.135 25961 1071 1 3 . 1 1 32 32 TYR N N 32 121.998 121.998 121.278 0.720 25961 1072 1 3 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.700 0.103 25961 1073 1 3 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.019 -3.220 25961 1074 1 3 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.840 -2.122 25961 1075 1 3 . 1 1 32 32 TYR H H 32 9.359 9.359 7.496 1.863 25961 1076 1 3 . 1 1 33 33 THR N N 33 114.039 114.039 115.655 -1.616 25961 1077 1 3 . 1 1 33 33 THR HA H 33 4.390 4.390 4.635 -0.245 25961 1078 1 3 . 1 1 33 33 THR CA C 33 59.896 59.896 61.452 -1.556 25961 1079 1 3 . 1 1 33 33 THR CB C 33 69.135 69.135 72.279 -3.144 25961 1080 1 3 . 1 1 33 33 THR H H 33 7.985 7.985 8.054 -0.069 25961 1081 1 3 . 1 1 34 34 GLY N N 34 113.445 113.445 109.362 4.083 25961 1082 1 3 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.711 -1.639 25961 1083 1 3 . 1 1 34 34 GLY H H 34 8.698 8.698 8.375 0.323 25961 1084 1 3 . 1 1 35 35 SER N N 35 113.837 113.837 117.720 -3.883 25961 1085 1 3 . 1 1 35 35 SER HA H 35 4.264 4.264 4.635 -0.371 25961 1086 1 3 . 1 1 35 35 SER CA C 35 57.651 57.651 57.941 -0.289 25961 1087 1 3 . 1 1 35 35 SER CB C 35 63.056 63.056 64.093 -1.037 25961 1088 1 3 . 1 1 35 35 SER H H 35 8.039 8.039 8.047 -0.008 25961 1089 1 3 . 1 1 36 36 ASN N N 36 119.749 119.749 122.051 -2.302 25961 1090 1 3 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.416 0.168 25961 1091 1 3 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.252 -1.471 25961 1092 1 3 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.915 -0.729 25961 1093 1 3 . 1 1 36 36 ASN H H 36 8.767 8.767 9.075 -0.308 25961 1094 1 3 . 1 1 37 37 GLY N N 37 110.628 110.628 102.940 7.688 25961 1095 1 3 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.408 -0.823 25961 1096 1 3 . 1 1 37 37 GLY H H 37 8.496 8.496 7.791 0.705 25961 1097 1 3 . 1 1 38 38 GLY N N 38 108.654 108.654 109.031 -0.377 25961 1098 1 3 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.155 -1.055 25961 1099 1 3 . 1 1 38 38 GLY H H 38 7.955 7.955 8.130 -0.175 25961 1100 1 3 . 1 1 39 39 ALA N N 39 123.326 123.326 124.362 -1.036 25961 1101 1 3 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.396 -0.185 25961 1102 1 3 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.870 -1.032 25961 1103 1 3 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.636 -1.907 25961 1104 1 3 . 1 1 39 39 ALA H H 39 8.028 8.028 7.827 0.201 25961 1105 1 3 . 1 1 40 40 ASP N N 40 119.573 119.573 120.327 -0.754 25961 1106 1 3 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.589 -0.202 25961 1107 1 3 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.720 0.274 25961 1108 1 3 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.588 -0.961 25961 1109 1 3 . 1 1 40 40 ASP H H 40 8.261 8.261 8.206 0.055 25961 1110 1 3 . 1 1 41 41 LEU N N 41 123.899 123.899 122.279 1.620 25961 1111 1 3 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.407 0.035 25961 1112 1 3 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.799 -2.578 25961 1113 1 3 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.492 -2.483 25961 1114 1 3 . 1 1 41 41 LEU H H 41 8.663 8.663 7.786 0.877 25961 1115 1 3 . 1 1 42 42 MET N N 42 119.684 119.684 117.379 2.305 25961 1116 1 3 . 1 1 42 42 MET HA H 42 4.730 4.730 4.736 -0.006 25961 1117 1 3 . 1 1 42 42 MET CA C 42 54.695 54.695 55.150 -0.455 25961 1118 1 3 . 1 1 42 42 MET CB C 42 32.194 32.194 33.124 -0.930 25961 1119 1 3 . 1 1 42 42 MET H H 42 8.553 8.553 8.249 0.304 25961 1120 1 3 . 1 1 43 43 GLY N N 43 113.052 113.052 110.691 2.361 25961 1121 1 3 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.514 -3.135 25961 1122 1 3 . 1 1 43 43 GLY H H 43 8.618 8.618 8.653 -0.035 25961 1123 1 3 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.392 0.328 25961 1124 1 3 . 1 1 44 44 PRO CA C 44 61.231 61.231 65.102 -3.871 25961 1125 1 3 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.488 0.465 25961 1126 1 3 . 1 1 45 45 ALA N N 45 120.693 120.693 121.853 -1.160 25961 1127 1 3 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.103 -0.119 25961 1128 1 3 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.986 -1.182 25961 1129 1 3 . 1 1 45 45 ALA CB C 45 17.967 17.967 17.936 0.031 25961 1130 1 3 . 1 1 45 45 ALA H H 45 7.524 7.524 8.444 -0.920 25961 1131 1 3 . 1 1 46 46 PHE N N 46 122.306 122.306 118.976 3.330 25961 1132 1 3 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.166 -0.204 25961 1133 1 3 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.465 0.861 25961 1134 1 3 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.030 -0.410 25961 1135 1 3 . 1 1 46 46 PHE H H 46 8.603 8.603 8.131 0.472 25961 1136 1 3 . 1 1 47 47 ALA N N 47 123.253 123.253 121.026 2.227 25961 1137 1 3 . 1 1 47 47 ALA HA H 47 4.088 4.088 3.935 0.153 25961 1138 1 3 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.203 -0.252 25961 1139 1 3 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.089 -0.442 25961 1140 1 3 . 1 1 47 47 ALA H H 47 9.199 9.199 7.676 1.523 25961 1141 1 3 . 1 1 48 48 ALA N N 48 117.571 117.571 119.570 -1.999 25961 1142 1 3 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.208 0.095 25961 1143 1 3 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.101 -0.414 25961 1144 1 3 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.016 -1.244 25961 1145 1 3 . 1 1 48 48 ALA H H 48 7.262 7.262 7.383 -0.121 25961 1146 1 3 . 1 1 49 49 GLY N N 49 103.229 103.229 105.993 -2.764 25961 1147 1 3 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.608 -0.989 25961 1148 1 3 . 1 1 49 49 GLY H H 49 7.461 7.461 7.741 -0.280 25961 1149 1 3 . 1 1 50 50 LEU N N 50 120.470 120.470 121.872 -1.402 25961 1150 1 3 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.101 -0.583 25961 1151 1 3 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.761 -1.349 25961 1152 1 3 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.777 0.178 25961 1153 1 3 . 1 1 50 50 LEU H H 50 7.224 7.224 8.084 -0.860 25961 1154 1 3 . 1 1 51 51 ARG N N 51 119.645 119.645 124.061 -4.416 25961 1155 1 3 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.520 -2.029 25961 1156 1 3 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.299 -0.483 25961 1157 1 3 . 1 1 51 51 ARG H H 51 8.678 8.678 8.009 0.669 25961 1158 1 3 . 1 1 52 52 VAL N N 52 119.995 119.995 118.964 1.031 25961 1159 1 3 . 1 1 52 52 VAL HA H 52 3.223 3.223 4.159 -0.936 25961 1160 1 3 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.212 2.006 25961 1161 1 3 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.127 0.022 25961 1162 1 3 . 1 1 52 52 VAL H H 52 8.482 8.482 8.481 0.001 25961 1163 1 3 . 1 1 53 53 GLY N N 53 117.052 117.052 115.651 1.401 25961 1164 1 3 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.711 -1.286 25961 1165 1 3 . 1 1 53 53 GLY H H 53 9.122 9.122 8.375 0.747 25961 1166 1 3 . 1 1 54 54 ASP N N 54 124.203 124.203 123.951 0.252 25961 1167 1 3 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.698 0.135 25961 1168 1 3 . 1 1 54 54 ASP CA C 54 54.734 54.734 55.670 -0.936 25961 1169 1 3 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.218 -0.939 25961 1170 1 3 . 1 1 54 54 ASP H H 54 7.848 7.848 7.775 0.073 25961 1171 1 3 . 1 1 55 55 GLN N N 55 121.703 121.703 124.666 -2.963 25961 1172 1 3 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.368 0.499 25961 1173 1 3 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.653 -2.127 25961 1174 1 3 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.125 -1.093 25961 1175 1 3 . 1 1 55 55 GLN H H 55 9.158 9.158 8.116 1.042 25961 1176 1 3 . 1 1 56 56 LEU N N 56 124.733 124.733 122.827 1.906 25961 1177 1 3 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.492 -0.305 25961 1178 1 3 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.534 0.661 25961 1179 1 3 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.605 -0.592 25961 1180 1 3 . 1 1 56 56 LEU H H 56 8.770 8.770 8.467 0.303 25961 1181 1 3 . 1 1 57 57 VAL N N 57 123.383 123.383 123.735 -0.352 25961 1182 1 3 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.307 0.001 25961 1183 1 3 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.517 1.626 25961 1184 1 3 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.585 -0.950 25961 1185 1 3 . 1 1 57 57 VAL H H 57 8.889 8.889 7.838 1.051 25961 1186 1 3 . 1 1 58 58 ARG N N 58 118.094 118.094 118.969 -0.875 25961 1187 1 3 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.835 1.503 25961 1188 1 3 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.253 -3.041 25961 1189 1 3 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.286 6.327 25961 1190 1 3 . 1 1 58 58 ARG H H 58 8.531 8.531 7.501 1.030 25961 1191 1 3 . 1 1 59 59 PHE N N 59 123.332 123.332 116.909 6.423 25961 1192 1 3 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.627 0.308 25961 1193 1 3 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.593 1.262 25961 1194 1 3 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.240 0.731 25961 1195 1 3 . 1 1 59 59 PHE H H 59 9.295 9.295 7.572 1.723 25961 1196 1 3 . 1 1 60 60 ALA N N 60 127.537 127.537 125.647 1.890 25961 1197 1 3 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.265 -0.678 25961 1198 1 3 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.882 -0.508 25961 1199 1 3 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.081 -2.608 25961 1200 1 3 . 1 1 60 60 ALA H H 60 8.356 8.356 8.792 -0.436 25961 1201 1 3 . 1 1 61 61 GLY N N 61 103.058 103.058 112.857 -9.799 25961 1202 1 3 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.456 -0.669 25961 1203 1 3 . 1 1 61 61 GLY H H 61 9.178 9.178 8.100 1.078 25961 1204 1 3 . 1 1 62 62 TYR N N 62 120.218 120.218 115.251 4.967 25961 1205 1 3 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.156 0.474 25961 1206 1 3 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.258 -1.681 25961 1207 1 3 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.892 3.000 25961 1208 1 3 . 1 1 62 62 TYR H H 62 7.888 7.888 7.563 0.325 25961 1209 1 3 . 1 1 63 63 THR N N 63 120.933 120.933 113.763 7.170 25961 1210 1 3 . 1 1 63 63 THR HA H 63 4.479 4.479 4.827 -0.348 25961 1211 1 3 . 1 1 63 63 THR CA C 63 62.851 62.851 60.846 2.005 25961 1212 1 3 . 1 1 63 63 THR CB C 63 67.848 67.848 71.118 -3.270 25961 1213 1 3 . 1 1 63 63 THR H H 63 9.108 9.108 7.725 1.383 25961 1214 1 3 . 1 1 64 64 VAL N N 64 121.039 121.039 126.594 -5.555 25961 1215 1 3 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.754 -0.155 25961 1216 1 3 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.402 -0.535 25961 1217 1 3 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.309 -2.305 25961 1218 1 3 . 1 1 64 64 VAL H H 64 7.782 7.782 8.068 -0.286 25961 1219 1 3 . 1 1 65 65 THR N N 65 114.373 114.373 120.241 -5.868 25961 1220 1 3 . 1 1 65 65 THR HA H 65 4.452 4.452 4.393 0.059 25961 1221 1 3 . 1 1 65 65 THR CA C 65 60.536 60.536 64.545 -4.009 25961 1222 1 3 . 1 1 65 65 THR CB C 65 69.037 69.037 69.351 -0.314 25961 1223 1 3 . 1 1 65 65 THR H H 65 9.053 9.053 8.729 0.324 25961 1224 1 3 . 1 1 66 66 GLU N N 66 115.766 115.766 117.984 -2.218 25961 1225 1 3 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.518 0.045 25961 1226 1 3 . 1 1 66 66 GLU CA C 66 53.387 53.387 56.148 -2.760 25961 1227 1 3 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.315 1.250 25961 1228 1 3 . 1 1 66 66 GLU H H 66 7.345 7.345 7.761 -0.416 25961 1229 1 3 . 1 1 67 67 LEU N N 67 124.674 124.674 118.330 6.344 25961 1230 1 3 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.508 -0.574 25961 1231 1 3 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.870 -0.335 25961 1232 1 3 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.566 0.487 25961 1233 1 3 . 1 1 67 67 LEU H H 67 8.906 8.906 8.577 0.329 25961 1234 1 3 . 1 1 68 68 ALA N N 68 120.493 120.493 120.982 -0.489 25961 1235 1 3 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.107 0.029 25961 1236 1 3 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.953 -0.279 25961 1237 1 3 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.756 -1.235 25961 1238 1 3 . 1 1 68 68 ALA H H 68 9.022 9.022 8.457 0.565 25961 1239 1 3 . 1 1 69 69 ALA N N 69 119.695 119.695 121.456 -1.761 25961 1240 1 3 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.278 -0.116 25961 1241 1 3 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.398 -0.378 25961 1242 1 3 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.685 -1.022 25961 1243 1 3 . 1 1 69 69 ALA H H 69 7.258 7.258 7.645 -0.387 25961 1244 1 3 . 1 1 70 70 PHE N N 70 119.274 119.274 119.481 -0.207 25961 1245 1 3 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.171 -0.212 25961 1246 1 3 . 1 1 70 70 PHE CA C 70 60.960 60.960 59.865 1.095 25961 1247 1 3 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.226 -0.794 25961 1248 1 3 . 1 1 70 70 PHE H H 70 7.769 7.769 8.027 -0.258 25961 1249 1 3 . 1 1 71 71 ASN N N 71 117.363 117.363 116.940 0.423 25961 1250 1 3 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.373 -0.271 25961 1251 1 3 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.887 -2.190 25961 1252 1 3 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.797 -2.724 25961 1253 1 3 . 1 1 71 71 ASN H H 71 8.801 8.801 7.959 0.842 25961 1254 1 3 . 1 1 72 72 THR N N 72 119.746 119.746 116.004 3.742 25961 1255 1 3 . 1 1 72 72 THR HA H 72 4.220 4.220 4.151 0.069 25961 1256 1 3 . 1 1 72 72 THR CA C 72 65.927 65.927 66.234 -0.307 25961 1257 1 3 . 1 1 72 72 THR CB C 72 67.600 67.600 68.856 -1.256 25961 1258 1 3 . 1 1 72 72 THR H H 72 8.109 8.109 7.684 0.425 25961 1259 1 3 . 1 1 73 73 VAL N N 73 123.156 123.156 120.512 2.644 25961 1260 1 3 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.823 -0.368 25961 1261 1 3 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.038 1.118 25961 1262 1 3 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.203 0.134 25961 1263 1 3 . 1 1 73 73 VAL H H 73 7.744 7.744 7.545 0.199 25961 1264 1 3 . 1 1 74 74 VAL N N 74 120.420 120.420 121.314 -0.894 25961 1265 1 3 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.479 -0.113 25961 1266 1 3 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.844 -1.246 25961 1267 1 3 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.859 -0.374 25961 1268 1 3 . 1 1 74 74 VAL H H 74 8.154 8.154 8.059 0.095 25961 1269 1 3 . 1 1 75 75 ALA N N 75 120.206 120.206 122.046 -1.840 25961 1270 1 3 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.010 -0.015 25961 1271 1 3 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.939 -0.940 25961 1272 1 3 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.593 -1.629 25961 1273 1 3 . 1 1 75 75 ALA H H 75 7.788 7.788 7.595 0.193 25961 1274 1 3 . 1 1 76 76 ARG N N 76 114.701 114.701 115.294 -0.593 25961 1275 1 3 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.180 -0.095 25961 1276 1 3 . 1 1 76 76 ARG CA C 76 56.982 56.982 58.100 -1.118 25961 1277 1 3 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.201 0.483 25961 1278 1 3 . 1 1 76 76 ARG H H 76 7.705 7.705 7.495 0.210 25961 1279 1 3 . 1 1 77 77 HIS N N 77 112.695 112.695 119.345 -6.650 25961 1280 1 3 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.432 0.378 25961 1281 1 3 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.093 -0.932 25961 1282 1 3 . 1 1 77 77 HIS CB C 77 31.033 31.033 31.287 -0.254 25961 1283 1 3 . 1 1 77 77 HIS H H 77 8.123 8.123 7.915 0.208 25961 1284 1 3 . 1 1 78 78 VAL N N 78 119.219 119.219 117.144 2.075 25961 1285 1 3 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.658 0.235 25961 1286 1 3 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.995 -0.430 25961 1287 1 3 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.109 -0.981 25961 1288 1 3 . 1 1 78 78 VAL H H 78 8.034 8.034 7.917 0.117 25961 1289 1 3 . 1 1 79 79 ARG N N 79 126.908 126.908 126.202 0.706 25961 1290 1 3 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.842 -1.481 25961 1291 1 3 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.877 -3.686 25961 1292 1 3 . 1 1 79 79 ARG H H 79 7.023 7.023 8.543 -1.520 25961 1293 1 3 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.598 -0.573 25961 1294 1 3 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.392 0.178 25961 1295 1 3 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.911 0.301 25961 1296 1 3 . 1 1 81 81 SER N N 81 115.039 115.039 116.180 -1.141 25961 1297 1 3 . 1 1 81 81 SER HA H 81 4.047 4.047 3.983 0.064 25961 1298 1 3 . 1 1 81 81 SER CA C 81 60.713 60.713 59.230 1.483 25961 1299 1 3 . 1 1 81 81 SER H H 81 8.210 8.210 8.255 -0.045 25961 1300 1 3 . 1 1 82 82 ALA N N 82 123.546 123.546 123.144 0.402 25961 1301 1 3 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.660 -0.314 25961 1302 1 3 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.019 0.487 25961 1303 1 3 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.192 -2.097 25961 1304 1 3 . 1 1 82 82 ALA H H 82 7.770 7.770 7.345 0.425 25961 1305 1 3 . 1 1 83 83 SER N N 83 116.753 116.753 118.915 -2.162 25961 1306 1 3 . 1 1 83 83 SER HA H 83 5.129 5.129 5.231 -0.102 25961 1307 1 3 . 1 1 83 83 SER CA C 83 56.582 56.582 57.454 -0.872 25961 1308 1 3 . 1 1 83 83 SER CB C 83 62.554 62.554 64.850 -2.296 25961 1309 1 3 . 1 1 83 83 SER H H 83 8.524 8.524 8.567 -0.043 25961 1310 1 3 . 1 1 84 84 ILE N N 84 126.985 126.985 115.626 11.359 25961 1311 1 3 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.435 -2.649 25961 1312 1 3 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.838 -1.414 25961 1313 1 3 . 1 1 84 84 ILE H H 84 9.599 9.599 8.161 1.438 25961 1314 1 3 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.540 0.405 25961 1315 1 3 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.990 -1.436 25961 1316 1 3 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.354 0.073 25961 1317 1 3 . 1 1 86 86 VAL N N 86 123.811 123.811 126.425 -2.614 25961 1318 1 3 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.258 0.591 25961 1319 1 3 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.724 -0.951 25961 1320 1 3 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.909 -0.265 25961 1321 1 3 . 1 1 86 86 VAL H H 86 9.033 9.033 7.946 1.087 25961 1322 1 3 . 1 1 87 87 VAL N N 87 127.839 127.839 125.322 2.517 25961 1323 1 3 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.477 0.495 25961 1324 1 3 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.516 0.177 25961 1325 1 3 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.408 -0.990 25961 1326 1 3 . 1 1 87 87 VAL H H 87 9.132 9.132 8.420 0.712 25961 1327 1 3 . 1 1 88 88 PHE N N 88 127.301 127.301 126.548 0.753 25961 1328 1 3 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.536 0.082 25961 1329 1 3 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.607 -0.396 25961 1330 1 3 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.167 -1.165 25961 1331 1 3 . 1 1 88 88 PHE H H 88 9.248 9.248 7.913 1.335 25961 1332 1 3 . 1 1 89 89 SER N N 89 113.734 113.734 114.498 -0.764 25961 1333 1 3 . 1 1 89 89 SER HA H 89 5.336 5.336 4.973 0.363 25961 1334 1 3 . 1 1 89 89 SER CA C 89 54.452 54.452 56.986 -2.534 25961 1335 1 3 . 1 1 89 89 SER CB C 89 64.474 64.474 65.842 -1.368 25961 1336 1 3 . 1 1 89 89 SER H H 89 9.689 9.689 8.220 1.469 25961 1337 1 3 . 1 1 90 90 ARG N N 90 128.114 128.114 125.182 2.932 25961 1338 1 3 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.558 0.189 25961 1339 1 3 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.223 -1.101 25961 1340 1 3 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.769 1.567 25961 1341 1 3 . 1 1 90 90 ARG H H 90 8.561 8.561 8.239 0.322 25961 1342 1 3 . 1 1 91 91 ASP N N 91 129.790 129.790 123.493 6.297 25961 1343 1 3 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.341 -0.072 25961 1344 1 3 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.540 -1.039 25961 1345 1 3 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.753 0.328 25961 1346 1 3 . 1 1 91 91 ASP H H 91 9.461 9.461 9.452 0.009 25961 1347 1 3 . 1 1 92 92 GLY N N 92 102.404 102.404 102.316 0.088 25961 1348 1 3 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.037 -0.732 25961 1349 1 3 . 1 1 92 92 GLY H H 92 8.391 8.391 8.259 0.132 25961 1350 1 3 . 1 1 93 93 VAL N N 93 123.090 123.090 121.937 1.153 25961 1351 1 3 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.873 0.129 25961 1352 1 3 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.688 -2.422 25961 1353 1 3 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.793 -0.975 25961 1354 1 3 . 1 1 93 93 VAL H H 93 7.682 7.682 7.352 0.330 25961 1355 1 3 . 1 1 94 94 VAL N N 94 128.414 128.414 125.964 2.450 25961 1356 1 3 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.957 0.177 25961 1357 1 3 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.975 1.365 25961 1358 1 3 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.660 -2.544 25961 1359 1 3 . 1 1 94 94 VAL H H 94 8.400 8.400 8.135 0.265 25961 1360 1 3 . 1 1 95 95 MET N N 95 129.196 129.196 129.226 -0.030 25961 1361 1 3 . 1 1 95 95 MET HA H 95 4.352 4.352 4.705 -0.353 25961 1362 1 3 . 1 1 95 95 MET CA C 95 53.674 53.674 53.527 0.147 25961 1363 1 3 . 1 1 95 95 MET CB C 95 36.104 36.104 36.574 -0.470 25961 1364 1 3 . 1 1 95 95 MET H H 95 9.100 9.100 7.983 1.117 25961 1365 1 3 . 1 1 96 96 SER N N 96 111.540 111.540 116.802 -5.262 25961 1366 1 3 . 1 1 96 96 SER HA H 96 5.469 5.469 5.066 0.403 25961 1367 1 3 . 1 1 96 96 SER CA C 96 55.830 55.830 57.259 -1.429 25961 1368 1 3 . 1 1 96 96 SER CB C 96 65.471 65.471 65.684 -0.213 25961 1369 1 3 . 1 1 96 96 SER H H 96 8.004 8.004 8.232 -0.228 25961 1370 1 3 . 1 1 97 97 ALA N N 97 124.079 124.079 128.078 -3.999 25961 1371 1 3 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.801 -0.013 25961 1372 1 3 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.998 -1.599 25961 1373 1 3 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.163 0.381 25961 1374 1 3 . 1 1 97 97 ALA H H 97 9.145 9.145 8.350 0.795 25961 1375 1 3 . 1 1 98 98 THR N N 98 117.342 117.342 118.809 -1.467 25961 1376 1 3 . 1 1 98 98 THR HA H 98 4.823 4.823 4.481 0.342 25961 1377 1 3 . 1 1 98 98 THR CA C 98 61.053 61.053 62.981 -1.928 25961 1378 1 3 . 1 1 98 98 THR CB C 98 69.913 69.913 68.930 0.983 25961 1379 1 3 . 1 1 98 98 THR H H 98 8.754 8.754 8.435 0.319 25961 1380 1 3 . 1 1 99 99 ILE N N 99 125.689 125.689 124.264 1.425 25961 1381 1 3 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.611 -0.500 25961 1382 1 3 . 1 1 99 99 ILE CA C 99 59.369 59.369 59.965 -0.597 25961 1383 1 3 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.703 -0.012 25961 1384 1 3 . 1 1 99 99 ILE H H 99 8.868 8.868 8.065 0.803 25961 1385 1 3 . 1 1 100 100 VAL N N 100 129.871 129.871 126.769 3.102 25961 1386 1 3 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.304 0.362 25961 1387 1 3 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.557 0.310 25961 1388 1 3 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.513 -2.903 25961 1389 1 3 . 1 1 100 100 VAL H H 100 8.818 8.818 8.471 0.347 25961 1390 1 3 . 1 1 101 101 VAL N N 101 128.299 128.299 129.826 -1.527 25961 1391 1 3 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.254 -0.885 25961 1392 1 3 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.505 3.822 25961 1393 1 3 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.072 -2.098 25961 1394 1 3 . 1 1 101 101 VAL H H 101 8.795 8.795 7.838 0.957 25961 1395 1 3 . 1 1 102 102 GLY N N 102 115.466 115.466 112.916 2.550 25961 1396 1 3 . 1 1 102 102 GLY CA C 102 43.680 43.680 43.923 -0.243 25961 1397 1 3 . 1 1 102 102 GLY H H 102 8.393 8.393 8.570 -0.177 25961 1398 1 3 . 1 1 103 103 GLU N N 103 119.459 119.459 125.918 -6.459 25961 1399 1 3 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.396 0.559 25961 1400 1 3 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.314 -2.568 25961 1401 1 3 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.485 1.716 25961 1402 1 3 . 1 1 103 103 GLU H H 103 8.386 8.386 8.055 0.331 25961 1403 1 3 . 1 1 104 104 LEU N N 104 123.881 123.881 119.586 4.295 25961 1404 1 3 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.470 0.230 25961 1405 1 3 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.627 -1.060 25961 1406 1 3 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.186 3.872 25961 1407 1 3 . 1 1 104 104 LEU H H 104 8.735 8.735 7.976 0.759 25961 1408 1 4 . 1 1 2 2 LEU N N 2 122.611 122.611 114.460 8.151 25961 1409 1 4 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.915 -0.523 25961 1410 1 4 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.388 -1.056 25961 1411 1 4 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.879 -2.562 25961 1412 1 4 . 1 1 2 2 LEU H H 2 8.535 8.535 8.178 0.357 25961 1413 1 4 . 1 1 3 3 THR N N 3 112.475 112.475 114.246 -1.771 25961 1414 1 4 . 1 1 3 3 THR HA H 3 4.777 4.777 4.593 0.184 25961 1415 1 4 . 1 1 3 3 THR CA C 3 59.259 59.259 60.506 -1.247 25961 1416 1 4 . 1 1 3 3 THR CB C 3 70.185 70.185 70.434 -0.249 25961 1417 1 4 . 1 1 3 3 THR H H 3 7.903 7.903 8.290 -0.387 25961 1418 1 4 . 1 1 4 4 ARG N N 4 120.183 120.183 122.254 -2.071 25961 1419 1 4 . 1 1 4 4 ARG H H 4 8.809 8.809 8.669 0.140 25961 1420 1 4 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.398 -0.026 25961 1421 1 4 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.482 1.535 25961 1422 1 4 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.625 0.963 25961 1423 1 4 . 1 1 6 6 TYR N N 6 120.727 120.727 123.295 -2.568 25961 1424 1 4 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.631 0.003 25961 1425 1 4 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.506 -1.430 25961 1426 1 4 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.409 -0.355 25961 1427 1 4 . 1 1 6 6 TYR H H 6 7.530 7.530 8.105 -0.575 25961 1428 1 4 . 1 1 7 7 LEU N N 7 126.575 126.575 122.399 4.176 25961 1429 1 4 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.553 -0.146 25961 1430 1 4 . 1 1 7 7 LEU H H 7 8.500 8.500 8.092 0.408 25961 1431 1 4 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.990 0.717 25961 1432 1 4 . 1 1 9 9 PHE N N 9 114.612 114.612 116.410 -1.798 25961 1433 1 4 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.826 0.532 25961 1434 1 4 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.181 -0.919 25961 1435 1 4 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.853 -1.399 25961 1436 1 4 . 1 1 9 9 PHE H H 9 7.102 7.102 7.348 -0.246 25961 1437 1 4 . 1 1 10 10 ARG N N 10 117.800 117.800 120.930 -3.130 25961 1438 1 4 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.737 -0.066 25961 1439 1 4 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.836 -1.437 25961 1440 1 4 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.955 0.860 25961 1441 1 4 . 1 1 10 10 ARG H H 10 8.206 8.206 8.571 -0.365 25961 1442 1 4 . 1 1 11 11 VAL N N 11 117.216 117.216 118.298 -1.082 25961 1443 1 4 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.080 0.087 25961 1444 1 4 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.130 -1.940 25961 1445 1 4 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.641 -0.766 25961 1446 1 4 . 1 1 11 11 VAL H H 11 8.601 8.601 8.383 0.218 25961 1447 1 4 . 1 1 12 12 ALA N N 12 123.025 123.025 130.060 -7.035 25961 1448 1 4 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.849 -0.269 25961 1449 1 4 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.817 -1.274 25961 1450 1 4 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.624 1.158 25961 1451 1 4 . 1 1 12 12 ALA H H 12 8.861 8.861 8.142 0.719 25961 1452 1 4 . 1 1 13 13 VAL N N 13 121.395 121.395 123.939 -2.544 25961 1453 1 4 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.078 0.473 25961 1454 1 4 . 1 1 13 13 VAL CA C 13 61.283 61.283 63.192 -1.909 25961 1455 1 4 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.794 -1.100 25961 1456 1 4 . 1 1 13 13 VAL H H 13 8.585 8.585 8.642 -0.057 25961 1457 1 4 . 1 1 14 14 GLY N N 14 117.546 117.546 116.266 1.280 25961 1458 1 4 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.371 -1.987 25961 1459 1 4 . 1 1 14 14 GLY H H 14 8.789 8.789 7.987 0.802 25961 1460 1 4 . 1 1 15 15 ARG N N 15 120.075 120.075 119.363 0.712 25961 1461 1 4 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.778 0.332 25961 1462 1 4 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.089 -1.196 25961 1463 1 4 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.609 0.146 25961 1464 1 4 . 1 1 15 15 ARG H H 15 8.299 8.299 8.345 -0.046 25961 1465 1 4 . 1 1 16 16 ASP N N 16 123.872 123.872 120.031 3.841 25961 1466 1 4 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.908 -0.163 25961 1467 1 4 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.480 -1.109 25961 1468 1 4 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.792 -1.040 25961 1469 1 4 . 1 1 16 16 ASP H H 16 8.619 8.619 8.429 0.190 25961 1470 1 4 . 1 1 17 17 SER N N 17 114.309 114.309 114.532 -0.223 25961 1471 1 4 . 1 1 17 17 SER HA H 17 4.196 4.196 4.328 -0.132 25961 1472 1 4 . 1 1 17 17 SER CA C 17 59.950 59.950 60.533 -0.583 25961 1473 1 4 . 1 1 17 17 SER CB C 17 61.825 61.825 63.475 -1.650 25961 1474 1 4 . 1 1 17 17 SER H H 17 8.624 8.624 8.408 0.216 25961 1475 1 4 . 1 1 18 18 SER N N 18 117.903 117.903 115.610 2.293 25961 1476 1 4 . 1 1 18 18 SER HA H 18 4.597 4.597 4.413 0.184 25961 1477 1 4 . 1 1 18 18 SER CA C 18 57.732 57.732 59.074 -1.342 25961 1478 1 4 . 1 1 18 18 SER CB C 18 63.470 63.470 63.786 -0.316 25961 1479 1 4 . 1 1 18 18 SER H H 18 8.385 8.385 7.929 0.456 25961 1480 1 4 . 1 1 19 19 GLY N N 19 109.883 109.883 109.066 0.817 25961 1481 1 4 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.918 -0.747 25961 1482 1 4 . 1 1 19 19 GLY H H 19 8.214 8.214 8.644 -0.430 25961 1483 1 4 . 1 1 20 20 CYS N N 20 122.167 122.167 119.596 2.571 25961 1484 1 4 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.816 -0.328 25961 1485 1 4 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.666 0.371 25961 1486 1 4 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.012 -2.327 25961 1487 1 4 . 1 1 20 20 CYS H H 20 8.286 8.286 8.185 0.101 25961 1488 1 4 . 1 1 21 21 THR N N 21 119.387 119.387 116.368 3.019 25961 1489 1 4 . 1 1 21 21 THR HA H 21 4.764 4.764 3.909 0.855 25961 1490 1 4 . 1 1 21 21 THR CA C 21 61.953 61.953 63.274 -1.321 25961 1491 1 4 . 1 1 21 21 THR CB C 21 68.795 68.795 67.462 1.333 25961 1492 1 4 . 1 1 21 21 THR H H 21 8.626 8.626 7.890 0.736 25961 1493 1 4 . 1 1 22 22 THR N N 22 116.611 116.611 116.329 0.282 25961 1494 1 4 . 1 1 22 22 THR HA H 22 4.513 4.513 4.724 -0.211 25961 1495 1 4 . 1 1 22 22 THR CA C 22 58.918 58.918 59.847 -0.930 25961 1496 1 4 . 1 1 22 22 THR CB C 22 71.128 71.128 70.881 0.247 25961 1497 1 4 . 1 1 22 22 THR H H 22 8.343 8.343 7.992 0.351 25961 1498 1 4 . 1 1 23 23 LEU N N 23 122.893 122.893 124.641 -1.748 25961 1499 1 4 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.860 0.072 25961 1500 1 4 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.455 -1.968 25961 1501 1 4 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.885 -1.620 25961 1502 1 4 . 1 1 23 23 LEU H H 23 9.157 9.157 8.617 0.540 25961 1503 1 4 . 1 1 24 24 SER N N 24 116.771 116.771 115.838 0.933 25961 1504 1 4 . 1 1 24 24 SER HA H 24 5.173 5.173 4.712 0.461 25961 1505 1 4 . 1 1 24 24 SER CA C 24 55.247 55.247 56.868 -1.621 25961 1506 1 4 . 1 1 24 24 SER CB C 24 64.841 64.841 65.076 -0.235 25961 1507 1 4 . 1 1 24 24 SER H H 24 8.656 8.656 7.960 0.696 25961 1508 1 4 . 1 1 25 25 ILE N N 25 122.747 122.747 125.300 -2.553 25961 1509 1 4 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.392 -0.361 25961 1510 1 4 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.505 0.765 25961 1511 1 4 . 1 1 25 25 ILE CB C 25 34.649 34.649 39.795 -5.146 25961 1512 1 4 . 1 1 25 25 ILE H H 25 9.023 9.023 8.206 0.817 25961 1513 1 4 . 1 1 26 26 GLN N N 26 129.779 129.779 126.677 3.102 25961 1514 1 4 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.446 -0.017 25961 1515 1 4 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.996 -2.409 25961 1516 1 4 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.181 0.095 25961 1517 1 4 . 1 1 26 26 GLN H H 26 9.093 9.093 8.556 0.537 25961 1518 1 4 . 1 1 27 27 GLU N N 27 118.722 118.722 118.116 0.606 25961 1519 1 4 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.920 0.044 25961 1520 1 4 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.016 0.006 25961 1521 1 4 . 1 1 27 27 GLU H H 27 7.479 7.479 7.894 -0.415 25961 1522 1 4 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.408 0.035 25961 1523 1 4 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.995 0.160 25961 1524 1 4 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.366 1.314 25961 1525 1 4 . 1 1 29 29 THR N N 29 124.459 124.459 118.883 5.576 25961 1526 1 4 . 1 1 29 29 THR HA H 29 4.183 4.183 4.770 -0.587 25961 1527 1 4 . 1 1 29 29 THR CA C 29 62.474 62.474 62.471 0.003 25961 1528 1 4 . 1 1 29 29 THR CB C 29 68.811 68.811 69.089 -0.278 25961 1529 1 4 . 1 1 29 29 THR H H 29 8.009 8.009 8.411 -0.402 25961 1530 1 4 . 1 1 30 30 GLN N N 30 130.053 130.053 119.115 10.938 25961 1531 1 4 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.537 -1.015 25961 1532 1 4 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.442 2.444 25961 1533 1 4 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.498 -1.193 25961 1534 1 4 . 1 1 30 30 GLN H H 30 9.321 9.321 8.260 1.061 25961 1535 1 4 . 1 1 31 31 THR N N 31 111.234 111.234 108.945 2.289 25961 1536 1 4 . 1 1 31 31 THR HA H 31 5.509 5.509 4.503 1.006 25961 1537 1 4 . 1 1 31 31 THR CA C 31 58.798 58.798 60.986 -2.188 25961 1538 1 4 . 1 1 31 31 THR CB C 31 71.374 71.374 69.029 2.345 25961 1539 1 4 . 1 1 31 31 THR H H 31 7.630 7.630 7.748 -0.118 25961 1540 1 4 . 1 1 32 32 TYR N N 32 121.998 121.998 121.835 0.163 25961 1541 1 4 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.654 0.149 25961 1542 1 4 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.082 -3.283 25961 1543 1 4 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.853 -2.135 25961 1544 1 4 . 1 1 32 32 TYR H H 32 9.359 9.359 7.490 1.869 25961 1545 1 4 . 1 1 33 33 THR N N 33 114.039 114.039 114.207 -0.168 25961 1546 1 4 . 1 1 33 33 THR HA H 33 4.390 4.390 4.670 -0.280 25961 1547 1 4 . 1 1 33 33 THR CA C 33 59.896 59.896 60.928 -1.032 25961 1548 1 4 . 1 1 33 33 THR CB C 33 69.135 69.135 72.542 -3.407 25961 1549 1 4 . 1 1 33 33 THR H H 33 7.985 7.985 8.251 -0.266 25961 1550 1 4 . 1 1 34 34 GLY N N 34 113.445 113.445 109.443 4.002 25961 1551 1 4 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.972 -1.900 25961 1552 1 4 . 1 1 34 34 GLY H H 34 8.698 8.698 8.602 0.096 25961 1553 1 4 . 1 1 35 35 SER N N 35 113.837 113.837 117.014 -3.177 25961 1554 1 4 . 1 1 35 35 SER HA H 35 4.264 4.264 4.595 -0.331 25961 1555 1 4 . 1 1 35 35 SER CA C 35 57.651 57.651 56.961 0.691 25961 1556 1 4 . 1 1 35 35 SER CB C 35 63.056 63.056 64.623 -1.567 25961 1557 1 4 . 1 1 35 35 SER H H 35 8.039 8.039 7.928 0.111 25961 1558 1 4 . 1 1 36 36 ASN N N 36 119.749 119.749 120.963 -1.214 25961 1559 1 4 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.420 0.164 25961 1560 1 4 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.114 -1.333 25961 1561 1 4 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.536 -0.350 25961 1562 1 4 . 1 1 36 36 ASN H H 36 8.767 8.767 9.058 -0.291 25961 1563 1 4 . 1 1 37 37 GLY N N 37 110.628 110.628 102.907 7.721 25961 1564 1 4 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.311 -0.726 25961 1565 1 4 . 1 1 37 37 GLY H H 37 8.496 8.496 7.717 0.779 25961 1566 1 4 . 1 1 38 38 GLY N N 38 108.654 108.654 109.631 -0.977 25961 1567 1 4 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.463 -1.363 25961 1568 1 4 . 1 1 38 38 GLY H H 38 7.955 7.955 8.186 -0.231 25961 1569 1 4 . 1 1 39 39 ALA N N 39 123.326 123.326 124.860 -1.534 25961 1570 1 4 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.313 -0.102 25961 1571 1 4 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.296 -0.458 25961 1572 1 4 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.711 -1.982 25961 1573 1 4 . 1 1 39 39 ALA H H 39 8.028 8.028 7.664 0.364 25961 1574 1 4 . 1 1 40 40 ASP N N 40 119.573 119.573 120.943 -1.370 25961 1575 1 4 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.616 -0.229 25961 1576 1 4 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.905 0.089 25961 1577 1 4 . 1 1 40 40 ASP CB C 40 39.627 39.627 41.112 -1.485 25961 1578 1 4 . 1 1 40 40 ASP H H 40 8.261 8.261 8.306 -0.045 25961 1579 1 4 . 1 1 41 41 LEU N N 41 123.899 123.899 122.990 0.909 25961 1580 1 4 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.436 0.006 25961 1581 1 4 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.504 -2.283 25961 1582 1 4 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.751 -2.742 25961 1583 1 4 . 1 1 41 41 LEU H H 41 8.663 8.663 8.184 0.479 25961 1584 1 4 . 1 1 42 42 MET N N 42 119.684 119.684 118.578 1.106 25961 1585 1 4 . 1 1 42 42 MET HA H 42 4.730 4.730 4.685 0.045 25961 1586 1 4 . 1 1 42 42 MET CA C 42 54.695 54.695 54.906 -0.211 25961 1587 1 4 . 1 1 42 42 MET CB C 42 32.194 32.194 32.870 -0.676 25961 1588 1 4 . 1 1 42 42 MET H H 42 8.553 8.553 8.179 0.374 25961 1589 1 4 . 1 1 43 43 GLY N N 43 113.052 113.052 113.557 -0.505 25961 1590 1 4 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.339 -2.961 25961 1591 1 4 . 1 1 43 43 GLY H H 43 8.618 8.618 8.663 -0.045 25961 1592 1 4 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.392 0.328 25961 1593 1 4 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.468 -3.237 25961 1594 1 4 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.502 0.451 25961 1595 1 4 . 1 1 45 45 ALA N N 45 120.693 120.693 121.858 -1.165 25961 1596 1 4 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.151 -0.167 25961 1597 1 4 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.745 -0.941 25961 1598 1 4 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.199 -0.232 25961 1599 1 4 . 1 1 45 45 ALA H H 45 7.524 7.524 8.223 -0.699 25961 1600 1 4 . 1 1 46 46 PHE N N 46 122.306 122.306 117.974 4.332 25961 1601 1 4 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.242 -0.280 25961 1602 1 4 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.039 1.287 25961 1603 1 4 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.326 -0.706 25961 1604 1 4 . 1 1 46 46 PHE H H 46 8.603 8.603 7.793 0.810 25961 1605 1 4 . 1 1 47 47 ALA N N 47 123.253 123.253 121.743 1.510 25961 1606 1 4 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.022 0.066 25961 1607 1 4 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.291 -0.340 25961 1608 1 4 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.148 -0.501 25961 1609 1 4 . 1 1 47 47 ALA H H 47 9.199 9.199 7.881 1.318 25961 1610 1 4 . 1 1 48 48 ALA N N 48 117.571 117.571 118.989 -1.418 25961 1611 1 4 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.218 0.085 25961 1612 1 4 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.866 -0.179 25961 1613 1 4 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.197 -1.425 25961 1614 1 4 . 1 1 48 48 ALA H H 48 7.262 7.262 7.533 -0.271 25961 1615 1 4 . 1 1 49 49 GLY N N 49 103.229 103.229 106.032 -2.803 25961 1616 1 4 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.541 -0.922 25961 1617 1 4 . 1 1 49 49 GLY H H 49 7.461 7.461 7.476 -0.015 25961 1618 1 4 . 1 1 50 50 LEU N N 50 120.470 120.470 121.506 -1.036 25961 1619 1 4 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.082 -0.564 25961 1620 1 4 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.875 -1.463 25961 1621 1 4 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.962 -0.007 25961 1622 1 4 . 1 1 50 50 LEU H H 50 7.224 7.224 7.498 -0.274 25961 1623 1 4 . 1 1 51 51 ARG N N 51 119.645 119.645 125.367 -5.722 25961 1624 1 4 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.309 -1.818 25961 1625 1 4 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.547 -0.731 25961 1626 1 4 . 1 1 51 51 ARG H H 51 8.678 8.678 7.898 0.780 25961 1627 1 4 . 1 1 52 52 VAL N N 52 119.995 119.995 120.247 -0.252 25961 1628 1 4 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.818 -0.595 25961 1629 1 4 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.139 1.079 25961 1630 1 4 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.159 -0.010 25961 1631 1 4 . 1 1 52 52 VAL H H 52 8.482 8.482 8.424 0.058 25961 1632 1 4 . 1 1 53 53 GLY N N 53 117.052 117.052 116.329 0.723 25961 1633 1 4 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.844 -1.419 25961 1634 1 4 . 1 1 53 53 GLY H H 53 9.122 9.122 8.585 0.537 25961 1635 1 4 . 1 1 54 54 ASP N N 54 124.203 124.203 123.052 1.151 25961 1636 1 4 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.937 -0.104 25961 1637 1 4 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.537 1.197 25961 1638 1 4 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.163 -0.885 25961 1639 1 4 . 1 1 54 54 ASP H H 54 7.848 7.848 7.808 0.040 25961 1640 1 4 . 1 1 55 55 GLN N N 55 121.703 121.703 123.182 -1.479 25961 1641 1 4 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.423 0.445 25961 1642 1 4 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.660 -2.134 25961 1643 1 4 . 1 1 55 55 GLN CB C 55 29.032 29.032 28.687 0.345 25961 1644 1 4 . 1 1 55 55 GLN H H 55 9.158 9.158 8.085 1.073 25961 1645 1 4 . 1 1 56 56 LEU N N 56 124.733 124.733 122.656 2.077 25961 1646 1 4 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.552 -0.365 25961 1647 1 4 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.846 0.349 25961 1648 1 4 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.561 0.452 25961 1649 1 4 . 1 1 56 56 LEU H H 56 8.770 8.770 8.287 0.483 25961 1650 1 4 . 1 1 57 57 VAL N N 57 123.383 123.383 118.602 4.781 25961 1651 1 4 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.386 -0.078 25961 1652 1 4 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.901 1.242 25961 1653 1 4 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.578 -0.943 25961 1654 1 4 . 1 1 57 57 VAL H H 57 8.889 8.889 8.117 0.772 25961 1655 1 4 . 1 1 58 58 ARG N N 58 118.094 118.094 117.688 0.406 25961 1656 1 4 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.820 1.518 25961 1657 1 4 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.470 -3.258 25961 1658 1 4 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.128 6.485 25961 1659 1 4 . 1 1 58 58 ARG H H 58 8.531 8.531 7.625 0.906 25961 1660 1 4 . 1 1 59 59 PHE N N 59 123.332 123.332 116.725 6.607 25961 1661 1 4 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.657 0.278 25961 1662 1 4 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.634 1.222 25961 1663 1 4 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.167 0.804 25961 1664 1 4 . 1 1 59 59 PHE H H 59 9.295 9.295 7.633 1.662 25961 1665 1 4 . 1 1 60 60 ALA N N 60 127.537 127.537 125.232 2.305 25961 1666 1 4 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.267 -0.680 25961 1667 1 4 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.936 -0.562 25961 1668 1 4 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.049 -2.576 25961 1669 1 4 . 1 1 60 60 ALA H H 60 8.356 8.356 8.800 -0.444 25961 1670 1 4 . 1 1 61 61 GLY N N 61 103.058 103.058 112.261 -9.203 25961 1671 1 4 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.539 -0.753 25961 1672 1 4 . 1 1 61 61 GLY H H 61 9.178 9.178 8.060 1.118 25961 1673 1 4 . 1 1 62 62 TYR N N 62 120.218 120.218 116.986 3.232 25961 1674 1 4 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.088 0.542 25961 1675 1 4 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.716 -2.139 25961 1676 1 4 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.460 3.432 25961 1677 1 4 . 1 1 62 62 TYR H H 62 7.888 7.888 7.596 0.292 25961 1678 1 4 . 1 1 63 63 THR N N 63 120.933 120.933 111.466 9.467 25961 1679 1 4 . 1 1 63 63 THR HA H 63 4.479 4.479 4.997 -0.518 25961 1680 1 4 . 1 1 63 63 THR CA C 63 62.851 62.851 60.185 2.666 25961 1681 1 4 . 1 1 63 63 THR CB C 63 67.848 67.848 71.957 -4.109 25961 1682 1 4 . 1 1 63 63 THR H H 63 9.108 9.108 7.602 1.506 25961 1683 1 4 . 1 1 64 64 VAL N N 64 121.039 121.039 123.598 -2.559 25961 1684 1 4 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.781 -0.182 25961 1685 1 4 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.598 -1.731 25961 1686 1 4 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.471 -2.467 25961 1687 1 4 . 1 1 64 64 VAL H H 64 7.782 7.782 8.676 -0.894 25961 1688 1 4 . 1 1 65 65 THR N N 65 114.373 114.373 117.754 -3.381 25961 1689 1 4 . 1 1 65 65 THR HA H 65 4.452 4.452 4.375 0.077 25961 1690 1 4 . 1 1 65 65 THR CA C 65 60.536 60.536 63.310 -2.774 25961 1691 1 4 . 1 1 65 65 THR CB C 65 69.037 69.037 69.260 -0.222 25961 1692 1 4 . 1 1 65 65 THR H H 65 9.053 9.053 8.553 0.500 25961 1693 1 4 . 1 1 66 66 GLU N N 66 115.766 115.766 118.025 -2.259 25961 1694 1 4 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.491 0.072 25961 1695 1 4 . 1 1 66 66 GLU CA C 66 53.387 53.387 56.009 -2.622 25961 1696 1 4 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.364 1.201 25961 1697 1 4 . 1 1 66 66 GLU H H 66 7.345 7.345 7.693 -0.348 25961 1698 1 4 . 1 1 67 67 LEU N N 67 124.674 124.674 117.062 7.612 25961 1699 1 4 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.549 -0.615 25961 1700 1 4 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.807 -0.272 25961 1701 1 4 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.105 -0.052 25961 1702 1 4 . 1 1 67 67 LEU H H 67 8.906 8.906 8.613 0.293 25961 1703 1 4 . 1 1 68 68 ALA N N 68 120.493 120.493 121.309 -0.816 25961 1704 1 4 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.005 0.131 25961 1705 1 4 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.052 -0.378 25961 1706 1 4 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.975 -1.454 25961 1707 1 4 . 1 1 68 68 ALA H H 68 9.022 9.022 8.339 0.683 25961 1708 1 4 . 1 1 69 69 ALA N N 69 119.695 119.695 120.756 -1.061 25961 1709 1 4 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.231 -0.069 25961 1710 1 4 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.653 -0.633 25961 1711 1 4 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.665 -1.002 25961 1712 1 4 . 1 1 69 69 ALA H H 69 7.258 7.258 7.613 -0.355 25961 1713 1 4 . 1 1 70 70 PHE N N 70 119.274 119.274 119.172 0.102 25961 1714 1 4 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.169 -0.210 25961 1715 1 4 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.332 0.628 25961 1716 1 4 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.552 -1.120 25961 1717 1 4 . 1 1 70 70 PHE H H 70 7.769 7.769 7.891 -0.122 25961 1718 1 4 . 1 1 71 71 ASN N N 71 117.363 117.363 118.061 -0.698 25961 1719 1 4 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.397 -0.295 25961 1720 1 4 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.441 -1.744 25961 1721 1 4 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.611 -2.538 25961 1722 1 4 . 1 1 71 71 ASN H H 71 8.801 8.801 8.192 0.609 25961 1723 1 4 . 1 1 72 72 THR N N 72 119.746 119.746 116.177 3.569 25961 1724 1 4 . 1 1 72 72 THR HA H 72 4.220 4.220 4.109 0.111 25961 1725 1 4 . 1 1 72 72 THR CA C 72 65.927 65.927 66.538 -0.611 25961 1726 1 4 . 1 1 72 72 THR CB C 72 67.600 67.600 68.969 -1.369 25961 1727 1 4 . 1 1 72 72 THR H H 72 8.109 8.109 7.501 0.608 25961 1728 1 4 . 1 1 73 73 VAL N N 73 123.156 123.156 119.021 4.135 25961 1729 1 4 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.766 -0.311 25961 1730 1 4 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.991 0.165 25961 1731 1 4 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.286 -0.950 25961 1732 1 4 . 1 1 73 73 VAL H H 73 7.744 7.744 7.529 0.215 25961 1733 1 4 . 1 1 74 74 VAL N N 74 120.420 120.420 120.085 0.335 25961 1734 1 4 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.498 -0.132 25961 1735 1 4 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.853 -0.255 25961 1736 1 4 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.470 0.016 25961 1737 1 4 . 1 1 74 74 VAL H H 74 8.154 8.154 7.833 0.321 25961 1738 1 4 . 1 1 75 75 ALA N N 75 120.206 120.206 122.381 -2.175 25961 1739 1 4 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.992 0.003 25961 1740 1 4 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.087 -1.088 25961 1741 1 4 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.506 -1.542 25961 1742 1 4 . 1 1 75 75 ALA H H 75 7.788 7.788 7.862 -0.074 25961 1743 1 4 . 1 1 76 76 ARG N N 76 114.701 114.701 115.853 -1.152 25961 1744 1 4 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.226 -0.141 25961 1745 1 4 . 1 1 76 76 ARG CA C 76 56.982 56.982 56.679 0.302 25961 1746 1 4 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.654 1.030 25961 1747 1 4 . 1 1 76 76 ARG H H 76 7.705 7.705 7.588 0.117 25961 1748 1 4 . 1 1 77 77 HIS N N 77 112.695 112.695 119.340 -6.645 25961 1749 1 4 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.501 0.309 25961 1750 1 4 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.524 -1.363 25961 1751 1 4 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.321 0.712 25961 1752 1 4 . 1 1 77 77 HIS H H 77 8.123 8.123 7.732 0.391 25961 1753 1 4 . 1 1 78 78 VAL N N 78 119.219 119.219 122.549 -3.330 25961 1754 1 4 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.650 0.243 25961 1755 1 4 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.457 -0.892 25961 1756 1 4 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.477 -1.349 25961 1757 1 4 . 1 1 78 78 VAL H H 78 8.034 8.034 7.889 0.145 25961 1758 1 4 . 1 1 79 79 ARG N N 79 126.908 126.908 125.948 0.960 25961 1759 1 4 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.906 -1.545 25961 1760 1 4 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.546 -3.355 25961 1761 1 4 . 1 1 79 79 ARG H H 79 7.023 7.023 7.558 -0.535 25961 1762 1 4 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.431 -0.406 25961 1763 1 4 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.245 0.325 25961 1764 1 4 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.545 -0.333 25961 1765 1 4 . 1 1 81 81 SER N N 81 115.039 115.039 117.069 -2.030 25961 1766 1 4 . 1 1 81 81 SER HA H 81 4.047 4.047 3.996 0.051 25961 1767 1 4 . 1 1 81 81 SER CA C 81 60.713 60.713 58.402 2.311 25961 1768 1 4 . 1 1 81 81 SER H H 81 8.210 8.210 8.497 -0.287 25961 1769 1 4 . 1 1 82 82 ALA N N 82 123.546 123.546 123.367 0.179 25961 1770 1 4 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.369 -0.023 25961 1771 1 4 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.602 -0.096 25961 1772 1 4 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.594 -0.499 25961 1773 1 4 . 1 1 82 82 ALA H H 82 7.770 7.770 7.299 0.471 25961 1774 1 4 . 1 1 83 83 SER N N 83 116.753 116.753 119.762 -3.009 25961 1775 1 4 . 1 1 83 83 SER HA H 83 5.129 5.129 5.399 -0.270 25961 1776 1 4 . 1 1 83 83 SER CA C 83 56.582 56.582 57.302 -0.720 25961 1777 1 4 . 1 1 83 83 SER CB C 83 62.554 62.554 64.301 -1.747 25961 1778 1 4 . 1 1 83 83 SER H H 83 8.524 8.524 8.505 0.019 25961 1779 1 4 . 1 1 84 84 ILE N N 84 126.985 126.985 118.390 8.595 25961 1780 1 4 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.631 -2.845 25961 1781 1 4 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.937 -1.513 25961 1782 1 4 . 1 1 84 84 ILE H H 84 9.599 9.599 8.357 1.242 25961 1783 1 4 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.515 0.430 25961 1784 1 4 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.866 -1.312 25961 1785 1 4 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.593 -0.167 25961 1786 1 4 . 1 1 86 86 VAL N N 86 123.811 123.811 125.776 -1.965 25961 1787 1 4 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.296 0.553 25961 1788 1 4 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.367 -1.594 25961 1789 1 4 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.545 -0.901 25961 1790 1 4 . 1 1 86 86 VAL H H 86 9.033 9.033 7.812 1.221 25961 1791 1 4 . 1 1 87 87 VAL N N 87 127.839 127.839 123.689 4.150 25961 1792 1 4 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.400 0.572 25961 1793 1 4 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.573 -0.880 25961 1794 1 4 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.487 -0.069 25961 1795 1 4 . 1 1 87 87 VAL H H 87 9.132 9.132 8.521 0.611 25961 1796 1 4 . 1 1 88 88 PHE N N 88 127.301 127.301 125.312 1.989 25961 1797 1 4 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.679 -0.061 25961 1798 1 4 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.977 -0.766 25961 1799 1 4 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.010 -2.008 25961 1800 1 4 . 1 1 88 88 PHE H H 88 9.248 9.248 8.217 1.031 25961 1801 1 4 . 1 1 89 89 SER N N 89 113.734 113.734 114.473 -0.739 25961 1802 1 4 . 1 1 89 89 SER HA H 89 5.336 5.336 4.842 0.494 25961 1803 1 4 . 1 1 89 89 SER CA C 89 54.452 54.452 57.311 -2.859 25961 1804 1 4 . 1 1 89 89 SER CB C 89 64.474 64.474 66.553 -2.079 25961 1805 1 4 . 1 1 89 89 SER H H 89 9.689 9.689 8.212 1.477 25961 1806 1 4 . 1 1 90 90 ARG N N 90 128.114 128.114 124.562 3.552 25961 1807 1 4 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.643 0.104 25961 1808 1 4 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.254 -1.132 25961 1809 1 4 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.590 0.746 25961 1810 1 4 . 1 1 90 90 ARG H H 90 8.561 8.561 7.948 0.613 25961 1811 1 4 . 1 1 91 91 ASP N N 91 129.790 129.790 123.885 5.905 25961 1812 1 4 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.330 -0.061 25961 1813 1 4 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.998 -0.498 25961 1814 1 4 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.347 -0.266 25961 1815 1 4 . 1 1 91 91 ASP H H 91 9.461 9.461 9.234 0.227 25961 1816 1 4 . 1 1 92 92 GLY N N 92 102.404 102.404 101.578 0.826 25961 1817 1 4 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.946 -0.641 25961 1818 1 4 . 1 1 92 92 GLY H H 92 8.391 8.391 8.397 -0.006 25961 1819 1 4 . 1 1 93 93 VAL N N 93 123.090 123.090 121.432 1.658 25961 1820 1 4 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.851 0.151 25961 1821 1 4 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.540 -2.274 25961 1822 1 4 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.733 -0.916 25961 1823 1 4 . 1 1 93 93 VAL H H 93 7.682 7.682 7.307 0.375 25961 1824 1 4 . 1 1 94 94 VAL N N 94 128.414 128.414 126.059 2.355 25961 1825 1 4 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.872 0.262 25961 1826 1 4 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.731 1.609 25961 1827 1 4 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.572 -2.456 25961 1828 1 4 . 1 1 94 94 VAL H H 94 8.400 8.400 8.094 0.306 25961 1829 1 4 . 1 1 95 95 MET N N 95 129.196 129.196 128.634 0.562 25961 1830 1 4 . 1 1 95 95 MET HA H 95 4.352 4.352 4.784 -0.432 25961 1831 1 4 . 1 1 95 95 MET CA C 95 53.674 53.674 54.081 -0.407 25961 1832 1 4 . 1 1 95 95 MET CB C 95 36.104 36.104 36.787 -0.683 25961 1833 1 4 . 1 1 95 95 MET H H 95 9.100 9.100 8.017 1.083 25961 1834 1 4 . 1 1 96 96 SER N N 96 111.540 111.540 118.234 -6.694 25961 1835 1 4 . 1 1 96 96 SER HA H 96 5.469 5.469 5.134 0.335 25961 1836 1 4 . 1 1 96 96 SER CA C 96 55.830 55.830 57.331 -1.501 25961 1837 1 4 . 1 1 96 96 SER CB C 96 65.471 65.471 64.870 0.601 25961 1838 1 4 . 1 1 96 96 SER H H 96 8.004 8.004 8.329 -0.325 25961 1839 1 4 . 1 1 97 97 ALA N N 97 124.079 124.079 128.078 -3.999 25961 1840 1 4 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.771 0.017 25961 1841 1 4 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.760 -1.361 25961 1842 1 4 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.020 0.524 25961 1843 1 4 . 1 1 97 97 ALA H H 97 9.145 9.145 8.420 0.725 25961 1844 1 4 . 1 1 98 98 THR N N 98 117.342 117.342 118.700 -1.358 25961 1845 1 4 . 1 1 98 98 THR HA H 98 4.823 4.823 4.356 0.467 25961 1846 1 4 . 1 1 98 98 THR CA C 98 61.053 61.053 62.912 -1.859 25961 1847 1 4 . 1 1 98 98 THR CB C 98 69.913 69.913 69.225 0.688 25961 1848 1 4 . 1 1 98 98 THR H H 98 8.754 8.754 8.405 0.349 25961 1849 1 4 . 1 1 99 99 ILE N N 99 125.689 125.689 128.110 -2.421 25961 1850 1 4 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.410 -0.299 25961 1851 1 4 . 1 1 99 99 ILE CA C 99 59.369 59.369 58.802 0.567 25961 1852 1 4 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.944 0.747 25961 1853 1 4 . 1 1 99 99 ILE H H 99 8.868 8.868 8.144 0.724 25961 1854 1 4 . 1 1 100 100 VAL N N 100 129.871 129.871 127.813 2.058 25961 1855 1 4 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.656 0.010 25961 1856 1 4 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.728 0.139 25961 1857 1 4 . 1 1 100 100 VAL CB C 100 29.610 29.610 33.135 -3.525 25961 1858 1 4 . 1 1 100 100 VAL H H 100 8.818 8.818 8.485 0.333 25961 1859 1 4 . 1 1 101 101 VAL N N 101 128.299 128.299 129.581 -1.282 25961 1860 1 4 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.375 -1.006 25961 1861 1 4 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.208 3.119 25961 1862 1 4 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.554 -2.580 25961 1863 1 4 . 1 1 101 101 VAL H H 101 8.795 8.795 7.960 0.836 25961 1864 1 4 . 1 1 102 102 GLY N N 102 115.466 115.466 112.656 2.810 25961 1865 1 4 . 1 1 102 102 GLY CA C 102 43.680 43.680 43.945 -0.265 25961 1866 1 4 . 1 1 102 102 GLY H H 102 8.393 8.393 8.546 -0.153 25961 1867 1 4 . 1 1 103 103 GLU N N 103 119.459 119.459 123.526 -4.067 25961 1868 1 4 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.096 0.859 25961 1869 1 4 . 1 1 103 103 GLU CA C 103 54.746 54.746 58.195 -3.449 25961 1870 1 4 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.035 2.166 25961 1871 1 4 . 1 1 103 103 GLU H H 103 8.386 8.386 8.351 0.035 25961 1872 1 4 . 1 1 104 104 LEU N N 104 123.881 123.881 110.479 13.402 25961 1873 1 4 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.610 0.090 25961 1874 1 4 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.675 -1.108 25961 1875 1 4 . 1 1 104 104 LEU CB C 104 44.058 44.058 43.439 0.619 25961 1876 1 4 . 1 1 104 104 LEU H H 104 8.735 8.735 7.315 1.420 25961 1877 1 5 . 1 1 2 2 LEU N N 2 122.611 122.611 117.004 5.607 25961 1878 1 5 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.907 -0.515 25961 1879 1 5 . 1 1 2 2 LEU CA C 2 54.332 54.332 53.947 0.385 25961 1880 1 5 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.281 -3.964 25961 1881 1 5 . 1 1 2 2 LEU H H 2 8.535 8.535 8.109 0.426 25961 1882 1 5 . 1 1 3 3 THR N N 3 112.475 112.475 113.360 -0.885 25961 1883 1 5 . 1 1 3 3 THR HA H 3 4.777 4.777 4.476 0.301 25961 1884 1 5 . 1 1 3 3 THR CA C 3 59.259 59.259 60.067 -0.808 25961 1885 1 5 . 1 1 3 3 THR CB C 3 70.185 70.185 70.999 -0.814 25961 1886 1 5 . 1 1 3 3 THR H H 3 7.903 7.903 8.271 -0.368 25961 1887 1 5 . 1 1 4 4 ARG N N 4 120.183 120.183 121.808 -1.625 25961 1888 1 5 . 1 1 4 4 ARG H H 4 8.809 8.809 8.409 0.400 25961 1889 1 5 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.419 -0.047 25961 1890 1 5 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.607 1.410 25961 1891 1 5 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.329 1.259 25961 1892 1 5 . 1 1 6 6 TYR N N 6 120.727 120.727 122.901 -2.174 25961 1893 1 5 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.642 -0.008 25961 1894 1 5 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.201 -1.125 25961 1895 1 5 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.992 -0.938 25961 1896 1 5 . 1 1 6 6 TYR H H 6 7.530 7.530 8.097 -0.567 25961 1897 1 5 . 1 1 7 7 LEU N N 7 126.575 126.575 121.202 5.373 25961 1898 1 5 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.579 -0.172 25961 1899 1 5 . 1 1 7 7 LEU H H 7 8.500 8.500 7.861 0.639 25961 1900 1 5 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.782 0.925 25961 1901 1 5 . 1 1 9 9 PHE N N 9 114.612 114.612 115.941 -1.329 25961 1902 1 5 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.793 0.565 25961 1903 1 5 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.054 -0.792 25961 1904 1 5 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.762 -1.308 25961 1905 1 5 . 1 1 9 9 PHE H H 9 7.102 7.102 7.109 -0.007 25961 1906 1 5 . 1 1 10 10 ARG N N 10 117.800 117.800 120.588 -2.788 25961 1907 1 5 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.697 -0.026 25961 1908 1 5 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.999 -1.600 25961 1909 1 5 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.223 0.592 25961 1910 1 5 . 1 1 10 10 ARG H H 10 8.206 8.206 8.587 -0.381 25961 1911 1 5 . 1 1 11 11 VAL N N 11 117.216 117.216 121.984 -4.768 25961 1912 1 5 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.869 0.298 25961 1913 1 5 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.002 -1.812 25961 1914 1 5 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.037 -1.162 25961 1915 1 5 . 1 1 11 11 VAL H H 11 8.601 8.601 8.562 0.039 25961 1916 1 5 . 1 1 12 12 ALA N N 12 123.025 123.025 132.185 -9.160 25961 1917 1 5 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.811 -0.231 25961 1918 1 5 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.911 -1.368 25961 1919 1 5 . 1 1 12 12 ALA CB C 12 21.782 21.782 21.113 0.669 25961 1920 1 5 . 1 1 12 12 ALA H H 12 8.861 8.861 8.244 0.617 25961 1921 1 5 . 1 1 13 13 VAL N N 13 121.395 121.395 123.449 -2.054 25961 1922 1 5 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.114 0.437 25961 1923 1 5 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.595 -0.312 25961 1924 1 5 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.362 -0.668 25961 1925 1 5 . 1 1 13 13 VAL H H 13 8.585 8.585 8.578 0.007 25961 1926 1 5 . 1 1 14 14 GLY N N 14 117.546 117.546 116.858 0.688 25961 1927 1 5 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.479 -2.095 25961 1928 1 5 . 1 1 14 14 GLY H H 14 8.789 8.789 7.947 0.842 25961 1929 1 5 . 1 1 15 15 ARG N N 15 120.075 120.075 120.680 -0.605 25961 1930 1 5 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.721 0.389 25961 1931 1 5 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.077 -1.184 25961 1932 1 5 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.544 0.213 25961 1933 1 5 . 1 1 15 15 ARG H H 15 8.299 8.299 8.337 -0.038 25961 1934 1 5 . 1 1 16 16 ASP N N 16 123.872 123.872 122.428 1.444 25961 1935 1 5 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.765 -0.020 25961 1936 1 5 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.871 -1.500 25961 1937 1 5 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.544 -0.792 25961 1938 1 5 . 1 1 16 16 ASP H H 16 8.619 8.619 8.427 0.192 25961 1939 1 5 . 1 1 17 17 SER N N 17 114.309 114.309 113.683 0.626 25961 1940 1 5 . 1 1 17 17 SER HA H 17 4.196 4.196 4.319 -0.123 25961 1941 1 5 . 1 1 17 17 SER CA C 17 59.950 59.950 59.661 0.289 25961 1942 1 5 . 1 1 17 17 SER CB C 17 61.825 61.825 63.525 -1.700 25961 1943 1 5 . 1 1 17 17 SER H H 17 8.624 8.624 8.233 0.391 25961 1944 1 5 . 1 1 18 18 SER N N 18 117.903 117.903 116.007 1.896 25961 1945 1 5 . 1 1 18 18 SER HA H 18 4.597 4.597 4.388 0.209 25961 1946 1 5 . 1 1 18 18 SER CA C 18 57.732 57.732 59.157 -1.425 25961 1947 1 5 . 1 1 18 18 SER CB C 18 63.470 63.470 64.663 -1.193 25961 1948 1 5 . 1 1 18 18 SER H H 18 8.385 8.385 7.790 0.595 25961 1949 1 5 . 1 1 19 19 GLY N N 19 109.883 109.883 110.300 -0.417 25961 1950 1 5 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.849 -0.678 25961 1951 1 5 . 1 1 19 19 GLY H H 19 8.214 8.214 8.602 -0.388 25961 1952 1 5 . 1 1 20 20 CYS N N 20 122.167 122.167 118.467 3.700 25961 1953 1 5 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.686 -0.198 25961 1954 1 5 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.001 0.036 25961 1955 1 5 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.414 -2.729 25961 1956 1 5 . 1 1 20 20 CYS H H 20 8.286 8.286 8.218 0.068 25961 1957 1 5 . 1 1 21 21 THR N N 21 119.387 119.387 114.941 4.446 25961 1958 1 5 . 1 1 21 21 THR HA H 21 4.764 4.764 3.948 0.816 25961 1959 1 5 . 1 1 21 21 THR CA C 21 61.953 61.953 63.754 -1.801 25961 1960 1 5 . 1 1 21 21 THR CB C 21 68.795 68.795 67.451 1.344 25961 1961 1 5 . 1 1 21 21 THR H H 21 8.626 8.626 7.776 0.850 25961 1962 1 5 . 1 1 22 22 THR N N 22 116.611 116.611 116.122 0.489 25961 1963 1 5 . 1 1 22 22 THR HA H 22 4.513 4.513 4.702 -0.189 25961 1964 1 5 . 1 1 22 22 THR CA C 22 58.918 58.918 59.709 -0.791 25961 1965 1 5 . 1 1 22 22 THR CB C 22 71.128 71.128 70.996 0.132 25961 1966 1 5 . 1 1 22 22 THR H H 22 8.343 8.343 8.033 0.310 25961 1967 1 5 . 1 1 23 23 LEU N N 23 122.893 122.893 124.795 -1.902 25961 1968 1 5 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.989 -0.057 25961 1969 1 5 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.848 -1.361 25961 1970 1 5 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.267 -2.002 25961 1971 1 5 . 1 1 23 23 LEU H H 23 9.157 9.157 8.632 0.525 25961 1972 1 5 . 1 1 24 24 SER N N 24 116.771 116.771 116.622 0.149 25961 1973 1 5 . 1 1 24 24 SER HA H 24 5.173 5.173 4.635 0.538 25961 1974 1 5 . 1 1 24 24 SER CA C 24 55.247 55.247 57.041 -1.794 25961 1975 1 5 . 1 1 24 24 SER CB C 24 64.841 64.841 64.750 0.091 25961 1976 1 5 . 1 1 24 24 SER H H 24 8.656 8.656 7.968 0.688 25961 1977 1 5 . 1 1 25 25 ILE N N 25 122.747 122.747 123.384 -0.637 25961 1978 1 5 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.478 -0.447 25961 1979 1 5 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.898 1.373 25961 1980 1 5 . 1 1 25 25 ILE CB C 25 34.649 34.649 40.151 -5.502 25961 1981 1 5 . 1 1 25 25 ILE H H 25 9.023 9.023 8.272 0.751 25961 1982 1 5 . 1 1 26 26 GLN N N 26 129.779 129.779 126.725 3.054 25961 1983 1 5 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.444 -0.015 25961 1984 1 5 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.920 -2.333 25961 1985 1 5 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.108 0.168 25961 1986 1 5 . 1 1 26 26 GLN H H 26 9.093 9.093 8.617 0.476 25961 1987 1 5 . 1 1 27 27 GLU N N 27 118.722 118.722 118.510 0.212 25961 1988 1 5 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.950 0.014 25961 1989 1 5 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.759 0.263 25961 1990 1 5 . 1 1 27 27 GLU H H 27 7.479 7.479 7.830 -0.351 25961 1991 1 5 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.397 0.046 25961 1992 1 5 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.998 0.157 25961 1993 1 5 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.254 1.426 25961 1994 1 5 . 1 1 29 29 THR N N 29 124.459 124.459 118.025 6.434 25961 1995 1 5 . 1 1 29 29 THR HA H 29 4.183 4.183 4.590 -0.407 25961 1996 1 5 . 1 1 29 29 THR CA C 29 62.474 62.474 62.310 0.163 25961 1997 1 5 . 1 1 29 29 THR CB C 29 68.811 68.811 68.930 -0.118 25961 1998 1 5 . 1 1 29 29 THR H H 29 8.009 8.009 8.644 -0.635 25961 1999 1 5 . 1 1 30 30 GLN N N 30 130.053 130.053 119.801 10.252 25961 2000 1 5 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.396 -0.874 25961 2001 1 5 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.793 2.093 25961 2002 1 5 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.076 -0.771 25961 2003 1 5 . 1 1 30 30 GLN H H 30 9.321 9.321 8.590 0.731 25961 2004 1 5 . 1 1 31 31 THR N N 31 111.234 111.234 108.335 2.899 25961 2005 1 5 . 1 1 31 31 THR HA H 31 5.509 5.509 4.523 0.986 25961 2006 1 5 . 1 1 31 31 THR CA C 31 58.798 58.798 61.288 -2.490 25961 2007 1 5 . 1 1 31 31 THR CB C 31 71.374 71.374 69.102 2.272 25961 2008 1 5 . 1 1 31 31 THR H H 31 7.630 7.630 7.821 -0.191 25961 2009 1 5 . 1 1 32 32 TYR N N 32 121.998 121.998 121.288 0.710 25961 2010 1 5 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.705 0.098 25961 2011 1 5 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.950 -3.151 25961 2012 1 5 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.955 -2.236 25961 2013 1 5 . 1 1 32 32 TYR H H 32 9.359 9.359 7.452 1.907 25961 2014 1 5 . 1 1 33 33 THR N N 33 114.039 114.039 115.393 -1.354 25961 2015 1 5 . 1 1 33 33 THR HA H 33 4.390 4.390 4.697 -0.307 25961 2016 1 5 . 1 1 33 33 THR CA C 33 59.896 59.896 60.903 -1.007 25961 2017 1 5 . 1 1 33 33 THR CB C 33 69.135 69.135 71.844 -2.709 25961 2018 1 5 . 1 1 33 33 THR H H 33 7.985 7.985 8.209 -0.224 25961 2019 1 5 . 1 1 34 34 GLY N N 34 113.445 113.445 110.129 3.316 25961 2020 1 5 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.470 -1.398 25961 2021 1 5 . 1 1 34 34 GLY H H 34 8.698 8.698 8.608 0.090 25961 2022 1 5 . 1 1 35 35 SER N N 35 113.837 113.837 116.853 -3.016 25961 2023 1 5 . 1 1 35 35 SER HA H 35 4.264 4.264 4.493 -0.229 25961 2024 1 5 . 1 1 35 35 SER CA C 35 57.651 57.651 57.512 0.139 25961 2025 1 5 . 1 1 35 35 SER CB C 35 63.056 63.056 64.784 -1.728 25961 2026 1 5 . 1 1 35 35 SER H H 35 8.039 8.039 7.831 0.208 25961 2027 1 5 . 1 1 36 36 ASN N N 36 119.749 119.749 123.082 -3.333 25961 2028 1 5 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.473 0.111 25961 2029 1 5 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.248 -1.467 25961 2030 1 5 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.675 -0.489 25961 2031 1 5 . 1 1 36 36 ASN H H 36 8.767 8.767 9.143 -0.376 25961 2032 1 5 . 1 1 37 37 GLY N N 37 110.628 110.628 103.688 6.940 25961 2033 1 5 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.626 -1.041 25961 2034 1 5 . 1 1 37 37 GLY H H 37 8.496 8.496 7.803 0.693 25961 2035 1 5 . 1 1 38 38 GLY N N 38 108.654 108.654 109.113 -0.459 25961 2036 1 5 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.047 -0.947 25961 2037 1 5 . 1 1 38 38 GLY H H 38 7.955 7.955 8.145 -0.190 25961 2038 1 5 . 1 1 39 39 ALA N N 39 123.326 123.326 123.261 0.065 25961 2039 1 5 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.344 -0.133 25961 2040 1 5 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.722 -0.884 25961 2041 1 5 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.226 -2.497 25961 2042 1 5 . 1 1 39 39 ALA H H 39 8.028 8.028 7.680 0.348 25961 2043 1 5 . 1 1 40 40 ASP N N 40 119.573 119.573 120.575 -1.002 25961 2044 1 5 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.476 -0.089 25961 2045 1 5 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.042 -0.048 25961 2046 1 5 . 1 1 40 40 ASP CB C 40 39.627 39.627 41.188 -1.561 25961 2047 1 5 . 1 1 40 40 ASP H H 40 8.261 8.261 8.194 0.067 25961 2048 1 5 . 1 1 41 41 LEU N N 41 123.899 123.899 122.501 1.398 25961 2049 1 5 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.416 0.026 25961 2050 1 5 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.391 -2.170 25961 2051 1 5 . 1 1 41 41 LEU CB C 41 43.009 43.009 46.093 -3.084 25961 2052 1 5 . 1 1 41 41 LEU H H 41 8.663 8.663 7.909 0.754 25961 2053 1 5 . 1 1 42 42 MET N N 42 119.684 119.684 118.604 1.080 25961 2054 1 5 . 1 1 42 42 MET HA H 42 4.730 4.730 4.711 0.019 25961 2055 1 5 . 1 1 42 42 MET CA C 42 54.695 54.695 54.656 0.040 25961 2056 1 5 . 1 1 42 42 MET CB C 42 32.194 32.194 33.059 -0.865 25961 2057 1 5 . 1 1 42 42 MET H H 42 8.553 8.553 8.167 0.386 25961 2058 1 5 . 1 1 43 43 GLY N N 43 113.052 113.052 113.212 -0.160 25961 2059 1 5 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.352 -2.974 25961 2060 1 5 . 1 1 43 43 GLY H H 43 8.618 8.618 8.621 -0.003 25961 2061 1 5 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.539 0.181 25961 2062 1 5 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.621 -3.390 25961 2063 1 5 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.521 0.432 25961 2064 1 5 . 1 1 45 45 ALA N N 45 120.693 120.693 122.188 -1.495 25961 2065 1 5 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.132 -0.148 25961 2066 1 5 . 1 1 45 45 ALA CA C 45 53.804 53.804 55.220 -1.416 25961 2067 1 5 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.186 -0.219 25961 2068 1 5 . 1 1 45 45 ALA H H 45 7.524 7.524 8.281 -0.757 25961 2069 1 5 . 1 1 46 46 PHE N N 46 122.306 122.306 116.684 5.622 25961 2070 1 5 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.318 -0.356 25961 2071 1 5 . 1 1 46 46 PHE CA C 46 60.326 60.326 58.707 1.619 25961 2072 1 5 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.568 -0.948 25961 2073 1 5 . 1 1 46 46 PHE H H 46 8.603 8.603 7.884 0.719 25961 2074 1 5 . 1 1 47 47 ALA N N 47 123.253 123.253 121.920 1.333 25961 2075 1 5 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.061 0.027 25961 2076 1 5 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.446 -0.495 25961 2077 1 5 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.428 -0.781 25961 2078 1 5 . 1 1 47 47 ALA H H 47 9.199 9.199 7.891 1.308 25961 2079 1 5 . 1 1 48 48 ALA N N 48 117.571 117.571 118.377 -0.806 25961 2080 1 5 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.310 -0.007 25961 2081 1 5 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.049 -0.362 25961 2082 1 5 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.199 -1.427 25961 2083 1 5 . 1 1 48 48 ALA H H 48 7.262 7.262 7.576 -0.314 25961 2084 1 5 . 1 1 49 49 GLY N N 49 103.229 103.229 106.162 -2.933 25961 2085 1 5 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.709 -1.090 25961 2086 1 5 . 1 1 49 49 GLY H H 49 7.461 7.461 7.624 -0.163 25961 2087 1 5 . 1 1 50 50 LEU N N 50 120.470 120.470 121.692 -1.222 25961 2088 1 5 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.202 -0.684 25961 2089 1 5 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.998 -1.586 25961 2090 1 5 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.485 -0.530 25961 2091 1 5 . 1 1 50 50 LEU H H 50 7.224 7.224 7.958 -0.734 25961 2092 1 5 . 1 1 51 51 ARG N N 51 119.645 119.645 124.657 -5.012 25961 2093 1 5 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.006 -1.515 25961 2094 1 5 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.314 -0.498 25961 2095 1 5 . 1 1 51 51 ARG H H 51 8.678 8.678 8.180 0.498 25961 2096 1 5 . 1 1 52 52 VAL N N 52 119.995 119.995 118.628 1.367 25961 2097 1 5 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.914 -0.691 25961 2098 1 5 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.153 1.065 25961 2099 1 5 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.447 -1.298 25961 2100 1 5 . 1 1 52 52 VAL H H 52 8.482 8.482 8.531 -0.049 25961 2101 1 5 . 1 1 53 53 GLY N N 53 117.052 117.052 114.812 2.240 25961 2102 1 5 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.711 -1.286 25961 2103 1 5 . 1 1 53 53 GLY H H 53 9.122 9.122 8.365 0.757 25961 2104 1 5 . 1 1 54 54 ASP N N 54 124.203 124.203 123.213 0.990 25961 2105 1 5 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.828 0.005 25961 2106 1 5 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.957 0.777 25961 2107 1 5 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.514 -1.235 25961 2108 1 5 . 1 1 54 54 ASP H H 54 7.848 7.848 7.561 0.287 25961 2109 1 5 . 1 1 55 55 GLN N N 55 121.703 121.703 124.156 -2.453 25961 2110 1 5 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.225 0.642 25961 2111 1 5 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.986 -2.461 25961 2112 1 5 . 1 1 55 55 GLN CB C 55 29.032 29.032 28.807 0.225 25961 2113 1 5 . 1 1 55 55 GLN H H 55 9.158 9.158 7.988 1.170 25961 2114 1 5 . 1 1 56 56 LEU N N 56 124.733 124.733 125.965 -1.232 25961 2115 1 5 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.365 -0.178 25961 2116 1 5 . 1 1 56 56 LEU CA C 56 55.195 55.195 55.267 -0.072 25961 2117 1 5 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.046 0.967 25961 2118 1 5 . 1 1 56 56 LEU H H 56 8.770 8.770 8.431 0.339 25961 2119 1 5 . 1 1 57 57 VAL N N 57 123.383 123.383 119.764 3.619 25961 2120 1 5 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.299 0.009 25961 2121 1 5 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.821 1.322 25961 2122 1 5 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.069 -0.434 25961 2123 1 5 . 1 1 57 57 VAL H H 57 8.889 8.889 8.021 0.868 25961 2124 1 5 . 1 1 58 58 ARG N N 58 118.094 118.094 119.536 -1.442 25961 2125 1 5 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.822 1.516 25961 2126 1 5 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.173 -2.961 25961 2127 1 5 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.546 6.067 25961 2128 1 5 . 1 1 58 58 ARG H H 58 8.531 8.531 7.547 0.984 25961 2129 1 5 . 1 1 59 59 PHE N N 59 123.332 123.332 116.992 6.340 25961 2130 1 5 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.643 0.292 25961 2131 1 5 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.814 1.042 25961 2132 1 5 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.407 0.564 25961 2133 1 5 . 1 1 59 59 PHE H H 59 9.295 9.295 7.654 1.641 25961 2134 1 5 . 1 1 60 60 ALA N N 60 127.537 127.537 125.354 2.183 25961 2135 1 5 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.267 -0.680 25961 2136 1 5 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.924 -0.550 25961 2137 1 5 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.068 -2.595 25961 2138 1 5 . 1 1 60 60 ALA H H 60 8.356 8.356 8.812 -0.456 25961 2139 1 5 . 1 1 61 61 GLY N N 61 103.058 103.058 113.039 -9.981 25961 2140 1 5 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.589 -0.802 25961 2141 1 5 . 1 1 61 61 GLY H H 61 9.178 9.178 8.055 1.123 25961 2142 1 5 . 1 1 62 62 TYR N N 62 120.218 120.218 116.094 4.124 25961 2143 1 5 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.213 0.417 25961 2144 1 5 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.885 -1.308 25961 2145 1 5 . 1 1 62 62 TYR CB C 62 38.892 38.892 34.950 3.942 25961 2146 1 5 . 1 1 62 62 TYR H H 62 7.888 7.888 7.612 0.276 25961 2147 1 5 . 1 1 63 63 THR N N 63 120.933 120.933 110.469 10.464 25961 2148 1 5 . 1 1 63 63 THR HA H 63 4.479 4.479 5.129 -0.650 25961 2149 1 5 . 1 1 63 63 THR CA C 63 62.851 62.851 60.151 2.700 25961 2150 1 5 . 1 1 63 63 THR CB C 63 67.848 67.848 72.178 -4.330 25961 2151 1 5 . 1 1 63 63 THR H H 63 9.108 9.108 7.646 1.462 25961 2152 1 5 . 1 1 64 64 VAL N N 64 121.039 121.039 124.662 -3.623 25961 2153 1 5 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.743 -0.144 25961 2154 1 5 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.321 -1.454 25961 2155 1 5 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.326 -1.322 25961 2156 1 5 . 1 1 64 64 VAL H H 64 7.782 7.782 8.320 -0.538 25961 2157 1 5 . 1 1 65 65 THR N N 65 114.373 114.373 117.500 -3.127 25961 2158 1 5 . 1 1 65 65 THR HA H 65 4.452 4.452 4.406 0.046 25961 2159 1 5 . 1 1 65 65 THR CA C 65 60.536 60.536 63.355 -2.819 25961 2160 1 5 . 1 1 65 65 THR CB C 65 69.037 69.037 69.337 -0.300 25961 2161 1 5 . 1 1 65 65 THR H H 65 9.053 9.053 8.500 0.553 25961 2162 1 5 . 1 1 66 66 GLU N N 66 115.766 115.766 118.567 -2.801 25961 2163 1 5 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.409 0.154 25961 2164 1 5 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.913 -2.526 25961 2165 1 5 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.465 1.100 25961 2166 1 5 . 1 1 66 66 GLU H H 66 7.345 7.345 8.003 -0.658 25961 2167 1 5 . 1 1 67 67 LEU N N 67 124.674 124.674 117.616 7.058 25961 2168 1 5 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.590 -0.656 25961 2169 1 5 . 1 1 67 67 LEU CA C 67 57.535 57.535 58.165 -0.630 25961 2170 1 5 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.314 -0.261 25961 2171 1 5 . 1 1 67 67 LEU H H 67 8.906 8.906 8.637 0.269 25961 2172 1 5 . 1 1 68 68 ALA N N 68 120.493 120.493 121.807 -1.314 25961 2173 1 5 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.028 0.108 25961 2174 1 5 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.088 -0.414 25961 2175 1 5 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.765 -1.244 25961 2176 1 5 . 1 1 68 68 ALA H H 68 9.022 9.022 7.894 1.128 25961 2177 1 5 . 1 1 69 69 ALA N N 69 119.695 119.695 121.091 -1.396 25961 2178 1 5 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.238 -0.076 25961 2179 1 5 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.566 -0.546 25961 2180 1 5 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.685 -1.022 25961 2181 1 5 . 1 1 69 69 ALA H H 69 7.258 7.258 7.497 -0.239 25961 2182 1 5 . 1 1 70 70 PHE N N 70 119.274 119.274 118.711 0.563 25961 2183 1 5 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.198 -0.239 25961 2184 1 5 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.270 0.690 25961 2185 1 5 . 1 1 70 70 PHE CB C 70 38.432 38.432 40.028 -1.596 25961 2186 1 5 . 1 1 70 70 PHE H H 70 7.769 7.769 8.442 -0.673 25961 2187 1 5 . 1 1 71 71 ASN N N 71 117.363 117.363 118.887 -1.524 25961 2188 1 5 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.317 -0.215 25961 2189 1 5 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.918 -2.221 25961 2190 1 5 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.427 -2.354 25961 2191 1 5 . 1 1 71 71 ASN H H 71 8.801 8.801 8.539 0.262 25961 2192 1 5 . 1 1 72 72 THR N N 72 119.746 119.746 111.917 7.829 25961 2193 1 5 . 1 1 72 72 THR HA H 72 4.220 4.220 4.040 0.180 25961 2194 1 5 . 1 1 72 72 THR CA C 72 65.927 65.927 65.661 0.266 25961 2195 1 5 . 1 1 72 72 THR CB C 72 67.600 67.600 68.868 -1.268 25961 2196 1 5 . 1 1 72 72 THR H H 72 8.109 8.109 7.448 0.661 25961 2197 1 5 . 1 1 73 73 VAL N N 73 123.156 123.156 121.845 1.311 25961 2198 1 5 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.488 -0.033 25961 2199 1 5 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.234 -0.078 25961 2200 1 5 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.201 -0.865 25961 2201 1 5 . 1 1 73 73 VAL H H 73 7.744 7.744 7.204 0.540 25961 2202 1 5 . 1 1 74 74 VAL N N 74 120.420 120.420 120.167 0.253 25961 2203 1 5 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.400 -0.034 25961 2204 1 5 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.325 -0.727 25961 2205 1 5 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.199 0.286 25961 2206 1 5 . 1 1 74 74 VAL H H 74 8.154 8.154 8.191 -0.037 25961 2207 1 5 . 1 1 75 75 ALA N N 75 120.206 120.206 121.047 -0.841 25961 2208 1 5 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.121 -0.126 25961 2209 1 5 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.650 -0.651 25961 2210 1 5 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.472 -1.508 25961 2211 1 5 . 1 1 75 75 ALA H H 75 7.788 7.788 7.543 0.245 25961 2212 1 5 . 1 1 76 76 ARG N N 76 114.701 114.701 116.180 -1.479 25961 2213 1 5 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.508 -0.423 25961 2214 1 5 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.418 -0.436 25961 2215 1 5 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.226 0.458 25961 2216 1 5 . 1 1 76 76 ARG H H 76 7.705 7.705 7.287 0.418 25961 2217 1 5 . 1 1 77 77 HIS N N 77 112.695 112.695 116.290 -3.595 25961 2218 1 5 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.531 0.279 25961 2219 1 5 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.284 -1.123 25961 2220 1 5 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.967 0.066 25961 2221 1 5 . 1 1 77 77 HIS H H 77 8.123 8.123 7.907 0.216 25961 2222 1 5 . 1 1 78 78 VAL N N 78 119.219 119.219 117.609 1.610 25961 2223 1 5 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.782 0.111 25961 2224 1 5 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.894 -0.329 25961 2225 1 5 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.960 -1.832 25961 2226 1 5 . 1 1 78 78 VAL H H 78 8.034 8.034 7.949 0.085 25961 2227 1 5 . 1 1 79 79 ARG N N 79 126.908 126.908 125.700 1.208 25961 2228 1 5 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.572 -1.211 25961 2229 1 5 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.986 -3.795 25961 2230 1 5 . 1 1 79 79 ARG H H 79 7.023 7.023 7.935 -0.912 25961 2231 1 5 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.510 -0.485 25961 2232 1 5 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.432 0.138 25961 2233 1 5 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.319 -0.107 25961 2234 1 5 . 1 1 81 81 SER N N 81 115.039 115.039 114.575 0.464 25961 2235 1 5 . 1 1 81 81 SER HA H 81 4.047 4.047 3.981 0.066 25961 2236 1 5 . 1 1 81 81 SER CA C 81 60.713 60.713 59.492 1.222 25961 2237 1 5 . 1 1 81 81 SER H H 81 8.210 8.210 8.526 -0.316 25961 2238 1 5 . 1 1 82 82 ALA N N 82 123.546 123.546 123.653 -0.107 25961 2239 1 5 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.632 -0.286 25961 2240 1 5 . 1 1 82 82 ALA CA C 82 51.506 51.506 50.873 0.633 25961 2241 1 5 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.547 -1.452 25961 2242 1 5 . 1 1 82 82 ALA H H 82 7.770 7.770 7.339 0.431 25961 2243 1 5 . 1 1 83 83 SER N N 83 116.753 116.753 118.581 -1.828 25961 2244 1 5 . 1 1 83 83 SER HA H 83 5.129 5.129 4.606 0.523 25961 2245 1 5 . 1 1 83 83 SER CA C 83 56.582 56.582 58.020 -1.438 25961 2246 1 5 . 1 1 83 83 SER CB C 83 62.554 62.554 64.164 -1.610 25961 2247 1 5 . 1 1 83 83 SER H H 83 8.524 8.524 8.614 -0.090 25961 2248 1 5 . 1 1 84 84 ILE N N 84 126.985 126.985 121.447 5.538 25961 2249 1 5 . 1 1 84 84 ILE CA C 84 54.786 54.786 58.245 -3.459 25961 2250 1 5 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.467 -3.043 25961 2251 1 5 . 1 1 84 84 ILE H H 84 9.599 9.599 8.094 1.505 25961 2252 1 5 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.367 0.578 25961 2253 1 5 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.359 -0.805 25961 2254 1 5 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.469 -0.042 25961 2255 1 5 . 1 1 86 86 VAL N N 86 123.811 123.811 117.205 6.606 25961 2256 1 5 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.446 0.403 25961 2257 1 5 . 1 1 86 86 VAL CA C 86 59.773 59.773 59.672 0.101 25961 2258 1 5 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.634 0.010 25961 2259 1 5 . 1 1 86 86 VAL H H 86 9.033 9.033 7.786 1.247 25961 2260 1 5 . 1 1 87 87 VAL N N 87 127.839 127.839 122.563 5.276 25961 2261 1 5 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.193 0.779 25961 2262 1 5 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.520 0.173 25961 2263 1 5 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.043 -0.625 25961 2264 1 5 . 1 1 87 87 VAL H H 87 9.132 9.132 8.100 1.032 25961 2265 1 5 . 1 1 88 88 PHE N N 88 127.301 127.301 127.942 -0.641 25961 2266 1 5 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.601 0.017 25961 2267 1 5 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.329 -1.118 25961 2268 1 5 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.817 -2.815 25961 2269 1 5 . 1 1 88 88 PHE H H 88 9.248 9.248 7.874 1.374 25961 2270 1 5 . 1 1 89 89 SER N N 89 113.734 113.734 114.242 -0.508 25961 2271 1 5 . 1 1 89 89 SER HA H 89 5.336 5.336 5.191 0.145 25961 2272 1 5 . 1 1 89 89 SER CA C 89 54.452 54.452 56.974 -2.522 25961 2273 1 5 . 1 1 89 89 SER CB C 89 64.474 64.474 66.294 -1.820 25961 2274 1 5 . 1 1 89 89 SER H H 89 9.689 9.689 8.318 1.371 25961 2275 1 5 . 1 1 90 90 ARG N N 90 128.114 128.114 124.382 3.732 25961 2276 1 5 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.597 0.150 25961 2277 1 5 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.566 -1.444 25961 2278 1 5 . 1 1 90 90 ARG CB C 90 32.336 32.336 32.899 -0.563 25961 2279 1 5 . 1 1 90 90 ARG H H 90 8.561 8.561 7.970 0.591 25961 2280 1 5 . 1 1 91 91 ASP N N 91 129.790 129.790 124.220 5.570 25961 2281 1 5 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.335 -0.066 25961 2282 1 5 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.137 -0.636 25961 2283 1 5 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.602 -0.521 25961 2284 1 5 . 1 1 91 91 ASP H H 91 9.461 9.461 9.201 0.260 25961 2285 1 5 . 1 1 92 92 GLY N N 92 102.404 102.404 104.230 -1.826 25961 2286 1 5 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.020 -0.715 25961 2287 1 5 . 1 1 92 92 GLY H H 92 8.391 8.391 8.382 0.009 25961 2288 1 5 . 1 1 93 93 VAL N N 93 123.090 123.090 121.498 1.592 25961 2289 1 5 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.858 0.144 25961 2290 1 5 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.016 -1.750 25961 2291 1 5 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.533 -0.715 25961 2292 1 5 . 1 1 93 93 VAL H H 93 7.682 7.682 7.590 0.092 25961 2293 1 5 . 1 1 94 94 VAL N N 94 128.414 128.414 126.371 2.043 25961 2294 1 5 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.878 0.256 25961 2295 1 5 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.670 0.670 25961 2296 1 5 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.084 -1.968 25961 2297 1 5 . 1 1 94 94 VAL H H 94 8.400 8.400 8.292 0.108 25961 2298 1 5 . 1 1 95 95 MET N N 95 129.196 129.196 129.357 -0.161 25961 2299 1 5 . 1 1 95 95 MET HA H 95 4.352 4.352 4.879 -0.527 25961 2300 1 5 . 1 1 95 95 MET CA C 95 53.674 53.674 54.245 -0.570 25961 2301 1 5 . 1 1 95 95 MET CB C 95 36.104 36.104 36.670 -0.566 25961 2302 1 5 . 1 1 95 95 MET H H 95 9.100 9.100 8.456 0.644 25961 2303 1 5 . 1 1 96 96 SER N N 96 111.540 111.540 116.929 -5.389 25961 2304 1 5 . 1 1 96 96 SER HA H 96 5.469 5.469 5.001 0.468 25961 2305 1 5 . 1 1 96 96 SER CA C 96 55.830 55.830 57.392 -1.562 25961 2306 1 5 . 1 1 96 96 SER CB C 96 65.471 65.471 65.602 -0.131 25961 2307 1 5 . 1 1 96 96 SER H H 96 8.004 8.004 8.288 -0.284 25961 2308 1 5 . 1 1 97 97 ALA N N 97 124.079 124.079 127.402 -3.323 25961 2309 1 5 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.672 0.116 25961 2310 1 5 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.911 -1.512 25961 2311 1 5 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.957 0.587 25961 2312 1 5 . 1 1 97 97 ALA H H 97 9.145 9.145 7.966 1.179 25961 2313 1 5 . 1 1 98 98 THR N N 98 117.342 117.342 118.792 -1.450 25961 2314 1 5 . 1 1 98 98 THR HA H 98 4.823 4.823 4.327 0.496 25961 2315 1 5 . 1 1 98 98 THR CA C 98 61.053 61.053 63.169 -2.115 25961 2316 1 5 . 1 1 98 98 THR CB C 98 69.913 69.913 68.933 0.980 25961 2317 1 5 . 1 1 98 98 THR H H 98 8.754 8.754 8.386 0.368 25961 2318 1 5 . 1 1 99 99 ILE N N 99 125.689 125.689 124.104 1.585 25961 2319 1 5 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.599 -0.488 25961 2320 1 5 . 1 1 99 99 ILE CA C 99 59.369 59.369 59.843 -0.474 25961 2321 1 5 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.332 -0.641 25961 2322 1 5 . 1 1 99 99 ILE H H 99 8.868 8.868 7.912 0.956 25961 2323 1 5 . 1 1 100 100 VAL N N 100 129.871 129.871 126.962 2.909 25961 2324 1 5 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.013 0.653 25961 2325 1 5 . 1 1 100 100 VAL CA C 100 60.867 60.867 62.133 -1.266 25961 2326 1 5 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.962 -2.352 25961 2327 1 5 . 1 1 100 100 VAL H H 100 8.818 8.818 8.528 0.290 25961 2328 1 5 . 1 1 101 101 VAL N N 101 128.299 128.299 126.260 2.039 25961 2329 1 5 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.290 -0.921 25961 2330 1 5 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.863 3.464 25961 2331 1 5 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.917 -1.943 25961 2332 1 5 . 1 1 101 101 VAL H H 101 8.795 8.795 7.734 1.061 25961 2333 1 5 . 1 1 102 102 GLY N N 102 115.466 115.466 112.798 2.668 25961 2334 1 5 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.126 -0.446 25961 2335 1 5 . 1 1 102 102 GLY H H 102 8.393 8.393 8.471 -0.078 25961 2336 1 5 . 1 1 103 103 GLU N N 103 119.459 119.459 124.840 -5.381 25961 2337 1 5 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.282 0.673 25961 2338 1 5 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.566 -2.820 25961 2339 1 5 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.334 1.867 25961 2340 1 5 . 1 1 103 103 GLU H H 103 8.386 8.386 8.258 0.128 25961 2341 1 5 . 1 1 104 104 LEU N N 104 123.881 123.881 115.595 8.286 25961 2342 1 5 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.576 0.124 25961 2343 1 5 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.222 -1.655 25961 2344 1 5 . 1 1 104 104 LEU CB C 104 44.058 44.058 44.961 -0.903 25961 2345 1 5 . 1 1 104 104 LEU H H 104 8.735 8.735 7.627 1.108 25961 2346 1 6 . 1 1 2 2 LEU N N 2 122.611 122.611 113.066 9.545 25961 2347 1 6 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.970 -0.578 25961 2348 1 6 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.426 -1.095 25961 2349 1 6 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.652 -2.335 25961 2350 1 6 . 1 1 2 2 LEU H H 2 8.535 8.535 8.234 0.301 25961 2351 1 6 . 1 1 3 3 THR N N 3 112.475 112.475 113.684 -1.209 25961 2352 1 6 . 1 1 3 3 THR HA H 3 4.777 4.777 4.606 0.171 25961 2353 1 6 . 1 1 3 3 THR CA C 3 59.259 59.259 59.889 -0.630 25961 2354 1 6 . 1 1 3 3 THR CB C 3 70.185 70.185 70.871 -0.686 25961 2355 1 6 . 1 1 3 3 THR H H 3 7.903 7.903 8.268 -0.365 25961 2356 1 6 . 1 1 4 4 ARG N N 4 120.183 120.183 122.362 -2.179 25961 2357 1 6 . 1 1 4 4 ARG H H 4 8.809 8.809 8.517 0.292 25961 2358 1 6 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.508 -0.136 25961 2359 1 6 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.281 1.736 25961 2360 1 6 . 1 1 5 5 PRO CB C 5 31.588 31.588 29.917 1.671 25961 2361 1 6 . 1 1 6 6 TYR N N 6 120.727 120.727 122.991 -2.264 25961 2362 1 6 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.659 -0.025 25961 2363 1 6 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.567 -1.491 25961 2364 1 6 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.745 -0.691 25961 2365 1 6 . 1 1 6 6 TYR H H 6 7.530 7.530 8.162 -0.632 25961 2366 1 6 . 1 1 7 7 LEU N N 7 126.575 126.575 121.911 4.664 25961 2367 1 6 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.416 -0.009 25961 2368 1 6 . 1 1 7 7 LEU H H 7 8.500 8.500 8.146 0.354 25961 2369 1 6 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.050 0.657 25961 2370 1 6 . 1 1 9 9 PHE N N 9 114.612 114.612 116.607 -1.995 25961 2371 1 6 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.778 0.580 25961 2372 1 6 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.983 -0.721 25961 2373 1 6 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.474 -1.020 25961 2374 1 6 . 1 1 9 9 PHE H H 9 7.102 7.102 7.009 0.093 25961 2375 1 6 . 1 1 10 10 ARG N N 10 117.800 117.800 120.701 -2.901 25961 2376 1 6 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.700 -0.029 25961 2377 1 6 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.199 -1.800 25961 2378 1 6 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.841 0.974 25961 2379 1 6 . 1 1 10 10 ARG H H 10 8.206 8.206 8.524 -0.318 25961 2380 1 6 . 1 1 11 11 VAL N N 11 117.216 117.216 121.697 -4.481 25961 2381 1 6 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.822 0.345 25961 2382 1 6 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.677 -2.487 25961 2383 1 6 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.606 -1.731 25961 2384 1 6 . 1 1 11 11 VAL H H 11 8.601 8.601 8.517 0.084 25961 2385 1 6 . 1 1 12 12 ALA N N 12 123.025 123.025 132.626 -9.601 25961 2386 1 6 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.810 -0.230 25961 2387 1 6 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.906 -1.363 25961 2388 1 6 . 1 1 12 12 ALA CB C 12 21.782 21.782 21.084 0.698 25961 2389 1 6 . 1 1 12 12 ALA H H 12 8.861 8.861 8.255 0.606 25961 2390 1 6 . 1 1 13 13 VAL N N 13 121.395 121.395 123.411 -2.016 25961 2391 1 6 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.073 0.478 25961 2392 1 6 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.857 -0.574 25961 2393 1 6 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.311 -0.617 25961 2394 1 6 . 1 1 13 13 VAL H H 13 8.585 8.585 8.615 -0.030 25961 2395 1 6 . 1 1 14 14 GLY N N 14 117.546 117.546 116.888 0.658 25961 2396 1 6 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.281 -1.897 25961 2397 1 6 . 1 1 14 14 GLY H H 14 8.789 8.789 8.141 0.648 25961 2398 1 6 . 1 1 15 15 ARG N N 15 120.075 120.075 119.635 0.440 25961 2399 1 6 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.708 0.402 25961 2400 1 6 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.063 -1.170 25961 2401 1 6 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.666 0.090 25961 2402 1 6 . 1 1 15 15 ARG H H 15 8.299 8.299 8.341 -0.042 25961 2403 1 6 . 1 1 16 16 ASP N N 16 123.872 123.872 120.797 3.075 25961 2404 1 6 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.922 -0.177 25961 2405 1 6 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.678 -1.307 25961 2406 1 6 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.537 -0.785 25961 2407 1 6 . 1 1 16 16 ASP H H 16 8.619 8.619 8.375 0.244 25961 2408 1 6 . 1 1 17 17 SER N N 17 114.309 114.309 114.324 -0.015 25961 2409 1 6 . 1 1 17 17 SER HA H 17 4.196 4.196 4.287 -0.091 25961 2410 1 6 . 1 1 17 17 SER CA C 17 59.950 59.950 60.433 -0.483 25961 2411 1 6 . 1 1 17 17 SER CB C 17 61.825 61.825 63.363 -1.538 25961 2412 1 6 . 1 1 17 17 SER H H 17 8.624 8.624 8.364 0.260 25961 2413 1 6 . 1 1 18 18 SER N N 18 117.903 117.903 115.748 2.155 25961 2414 1 6 . 1 1 18 18 SER HA H 18 4.597 4.597 4.409 0.188 25961 2415 1 6 . 1 1 18 18 SER CA C 18 57.732 57.732 59.311 -1.579 25961 2416 1 6 . 1 1 18 18 SER CB C 18 63.470 63.470 63.756 -0.286 25961 2417 1 6 . 1 1 18 18 SER H H 18 8.385 8.385 8.066 0.319 25961 2418 1 6 . 1 1 19 19 GLY N N 19 109.883 109.883 108.045 1.838 25961 2419 1 6 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.574 -0.403 25961 2420 1 6 . 1 1 19 19 GLY H H 19 8.214 8.214 8.599 -0.385 25961 2421 1 6 . 1 1 20 20 CYS N N 20 122.167 122.167 119.235 2.932 25961 2422 1 6 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.654 -0.166 25961 2423 1 6 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.920 0.117 25961 2424 1 6 . 1 1 20 20 CYS CB C 20 26.685 26.685 30.062 -3.377 25961 2425 1 6 . 1 1 20 20 CYS H H 20 8.286 8.286 8.244 0.042 25961 2426 1 6 . 1 1 21 21 THR N N 21 119.387 119.387 115.047 4.340 25961 2427 1 6 . 1 1 21 21 THR HA H 21 4.764 4.764 3.964 0.800 25961 2428 1 6 . 1 1 21 21 THR CA C 21 61.953 61.953 63.501 -1.548 25961 2429 1 6 . 1 1 21 21 THR CB C 21 68.795 68.795 67.520 1.275 25961 2430 1 6 . 1 1 21 21 THR H H 21 8.626 8.626 7.879 0.747 25961 2431 1 6 . 1 1 22 22 THR N N 22 116.611 116.611 116.252 0.359 25961 2432 1 6 . 1 1 22 22 THR HA H 22 4.513 4.513 4.680 -0.167 25961 2433 1 6 . 1 1 22 22 THR CA C 22 58.918 58.918 60.023 -1.105 25961 2434 1 6 . 1 1 22 22 THR CB C 22 71.128 71.128 70.833 0.295 25961 2435 1 6 . 1 1 22 22 THR H H 22 8.343 8.343 8.075 0.268 25961 2436 1 6 . 1 1 23 23 LEU N N 23 122.893 122.893 124.439 -1.546 25961 2437 1 6 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.890 0.042 25961 2438 1 6 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.186 -1.699 25961 2439 1 6 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.293 -2.028 25961 2440 1 6 . 1 1 23 23 LEU H H 23 9.157 9.157 8.612 0.545 25961 2441 1 6 . 1 1 24 24 SER N N 24 116.771 116.771 114.802 1.969 25961 2442 1 6 . 1 1 24 24 SER HA H 24 5.173 5.173 4.796 0.377 25961 2443 1 6 . 1 1 24 24 SER CA C 24 55.247 55.247 56.733 -1.486 25961 2444 1 6 . 1 1 24 24 SER CB C 24 64.841 64.841 64.993 -0.152 25961 2445 1 6 . 1 1 24 24 SER H H 24 8.656 8.656 7.975 0.681 25961 2446 1 6 . 1 1 25 25 ILE N N 25 122.747 122.747 120.776 1.971 25961 2447 1 6 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.940 -0.909 25961 2448 1 6 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.811 1.459 25961 2449 1 6 . 1 1 25 25 ILE CB C 25 34.649 34.649 39.727 -5.078 25961 2450 1 6 . 1 1 25 25 ILE H H 25 9.023 9.023 8.204 0.819 25961 2451 1 6 . 1 1 26 26 GLN N N 26 129.779 129.779 124.700 5.079 25961 2452 1 6 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.312 0.117 25961 2453 1 6 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.561 -2.974 25961 2454 1 6 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.501 0.775 25961 2455 1 6 . 1 1 26 26 GLN H H 26 9.093 9.093 8.499 0.594 25961 2456 1 6 . 1 1 27 27 GLU N N 27 118.722 118.722 117.285 1.437 25961 2457 1 6 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.748 0.216 25961 2458 1 6 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.852 0.170 25961 2459 1 6 . 1 1 27 27 GLU H H 27 7.479 7.479 7.981 -0.502 25961 2460 1 6 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.444 -0.001 25961 2461 1 6 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.896 0.259 25961 2462 1 6 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.748 0.932 25961 2463 1 6 . 1 1 29 29 THR N N 29 124.459 124.459 117.267 7.192 25961 2464 1 6 . 1 1 29 29 THR HA H 29 4.183 4.183 4.542 -0.359 25961 2465 1 6 . 1 1 29 29 THR CA C 29 62.474 62.474 61.878 0.596 25961 2466 1 6 . 1 1 29 29 THR CB C 29 68.811 68.811 69.372 -0.561 25961 2467 1 6 . 1 1 29 29 THR H H 29 8.009 8.009 8.375 -0.366 25961 2468 1 6 . 1 1 30 30 GLN N N 30 130.053 130.053 119.465 10.588 25961 2469 1 6 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.504 -0.982 25961 2470 1 6 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.745 2.141 25961 2471 1 6 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.429 -1.124 25961 2472 1 6 . 1 1 30 30 GLN H H 30 9.321 9.321 8.320 1.001 25961 2473 1 6 . 1 1 31 31 THR N N 31 111.234 111.234 108.193 3.041 25961 2474 1 6 . 1 1 31 31 THR HA H 31 5.509 5.509 4.529 0.980 25961 2475 1 6 . 1 1 31 31 THR CA C 31 58.798 58.798 61.165 -2.367 25961 2476 1 6 . 1 1 31 31 THR CB C 31 71.374 71.374 69.589 1.785 25961 2477 1 6 . 1 1 31 31 THR H H 31 7.630 7.630 7.728 -0.098 25961 2478 1 6 . 1 1 32 32 TYR N N 32 121.998 121.998 120.946 1.052 25961 2479 1 6 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.764 0.039 25961 2480 1 6 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.785 -2.986 25961 2481 1 6 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.082 -2.364 25961 2482 1 6 . 1 1 32 32 TYR H H 32 9.359 9.359 7.518 1.841 25961 2483 1 6 . 1 1 33 33 THR N N 33 114.039 114.039 115.819 -1.780 25961 2484 1 6 . 1 1 33 33 THR HA H 33 4.390 4.390 4.664 -0.274 25961 2485 1 6 . 1 1 33 33 THR CA C 33 59.896 59.896 61.242 -1.346 25961 2486 1 6 . 1 1 33 33 THR CB C 33 69.135 69.135 72.053 -2.918 25961 2487 1 6 . 1 1 33 33 THR H H 33 7.985 7.985 7.897 0.088 25961 2488 1 6 . 1 1 34 34 GLY N N 34 113.445 113.445 109.260 4.185 25961 2489 1 6 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.607 -1.535 25961 2490 1 6 . 1 1 34 34 GLY H H 34 8.698 8.698 8.368 0.330 25961 2491 1 6 . 1 1 35 35 SER N N 35 113.837 113.837 116.129 -2.292 25961 2492 1 6 . 1 1 35 35 SER HA H 35 4.264 4.264 4.544 -0.280 25961 2493 1 6 . 1 1 35 35 SER CA C 35 57.651 57.651 57.087 0.564 25961 2494 1 6 . 1 1 35 35 SER CB C 35 63.056 63.056 64.874 -1.818 25961 2495 1 6 . 1 1 35 35 SER H H 35 8.039 8.039 7.608 0.431 25961 2496 1 6 . 1 1 36 36 ASN N N 36 119.749 119.749 121.640 -1.891 25961 2497 1 6 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.441 0.143 25961 2498 1 6 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.973 -1.192 25961 2499 1 6 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.355 -0.169 25961 2500 1 6 . 1 1 36 36 ASN H H 36 8.767 8.767 9.075 -0.308 25961 2501 1 6 . 1 1 37 37 GLY N N 37 110.628 110.628 102.848 7.780 25961 2502 1 6 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.346 -0.761 25961 2503 1 6 . 1 1 37 37 GLY H H 37 8.496 8.496 7.703 0.793 25961 2504 1 6 . 1 1 38 38 GLY N N 38 108.654 108.654 109.367 -0.713 25961 2505 1 6 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.977 -0.877 25961 2506 1 6 . 1 1 38 38 GLY H H 38 7.955 7.955 8.086 -0.131 25961 2507 1 6 . 1 1 39 39 ALA N N 39 123.326 123.326 124.165 -0.839 25961 2508 1 6 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.306 -0.095 25961 2509 1 6 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.725 -0.887 25961 2510 1 6 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.744 -2.014 25961 2511 1 6 . 1 1 39 39 ALA H H 39 8.028 8.028 7.619 0.409 25961 2512 1 6 . 1 1 40 40 ASP N N 40 119.573 119.573 121.177 -1.604 25961 2513 1 6 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.558 -0.171 25961 2514 1 6 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.739 0.255 25961 2515 1 6 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.639 -1.012 25961 2516 1 6 . 1 1 40 40 ASP H H 40 8.261 8.261 8.207 0.054 25961 2517 1 6 . 1 1 41 41 LEU N N 41 123.899 123.899 122.792 1.107 25961 2518 1 6 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.494 -0.052 25961 2519 1 6 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.596 -2.375 25961 2520 1 6 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.753 -2.744 25961 2521 1 6 . 1 1 41 41 LEU H H 41 8.663 8.663 8.215 0.448 25961 2522 1 6 . 1 1 42 42 MET N N 42 119.684 119.684 118.573 1.111 25961 2523 1 6 . 1 1 42 42 MET HA H 42 4.730 4.730 4.793 -0.063 25961 2524 1 6 . 1 1 42 42 MET CA C 42 54.695 54.695 54.652 0.043 25961 2525 1 6 . 1 1 42 42 MET CB C 42 32.194 32.194 32.933 -0.739 25961 2526 1 6 . 1 1 42 42 MET H H 42 8.553 8.553 8.172 0.381 25961 2527 1 6 . 1 1 43 43 GLY N N 43 113.052 113.052 113.630 -0.578 25961 2528 1 6 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.341 -2.963 25961 2529 1 6 . 1 1 43 43 GLY H H 43 8.618 8.618 8.675 -0.057 25961 2530 1 6 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.477 0.243 25961 2531 1 6 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.766 -3.535 25961 2532 1 6 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.538 0.415 25961 2533 1 6 . 1 1 45 45 ALA N N 45 120.693 120.693 122.145 -1.452 25961 2534 1 6 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.165 -0.181 25961 2535 1 6 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.737 -0.933 25961 2536 1 6 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.096 -0.129 25961 2537 1 6 . 1 1 45 45 ALA H H 45 7.524 7.524 8.310 -0.786 25961 2538 1 6 . 1 1 46 46 PHE N N 46 122.306 122.306 118.901 3.405 25961 2539 1 6 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.236 -0.274 25961 2540 1 6 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.898 0.428 25961 2541 1 6 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.944 -0.324 25961 2542 1 6 . 1 1 46 46 PHE H H 46 8.603 8.603 8.146 0.457 25961 2543 1 6 . 1 1 47 47 ALA N N 47 123.253 123.253 121.462 1.791 25961 2544 1 6 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.201 -0.113 25961 2545 1 6 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.340 -0.389 25961 2546 1 6 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.200 -0.553 25961 2547 1 6 . 1 1 47 47 ALA H H 47 9.199 9.199 7.689 1.510 25961 2548 1 6 . 1 1 48 48 ALA N N 48 117.571 117.571 119.577 -2.006 25961 2549 1 6 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.270 0.033 25961 2550 1 6 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.822 -0.135 25961 2551 1 6 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.094 -1.322 25961 2552 1 6 . 1 1 48 48 ALA H H 48 7.262 7.262 7.331 -0.069 25961 2553 1 6 . 1 1 49 49 GLY N N 49 103.229 103.229 106.812 -3.583 25961 2554 1 6 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.648 -1.029 25961 2555 1 6 . 1 1 49 49 GLY H H 49 7.461 7.461 7.684 -0.223 25961 2556 1 6 . 1 1 50 50 LEU N N 50 120.470 120.470 121.604 -1.134 25961 2557 1 6 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.006 -0.488 25961 2558 1 6 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.861 -1.449 25961 2559 1 6 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.088 -0.133 25961 2560 1 6 . 1 1 50 50 LEU H H 50 7.224 7.224 7.831 -0.607 25961 2561 1 6 . 1 1 51 51 ARG N N 51 119.645 119.645 123.730 -4.085 25961 2562 1 6 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.626 -1.135 25961 2563 1 6 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.725 -0.909 25961 2564 1 6 . 1 1 51 51 ARG H H 51 8.678 8.678 7.656 1.022 25961 2565 1 6 . 1 1 52 52 VAL N N 52 119.995 119.995 118.050 1.945 25961 2566 1 6 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.672 -0.449 25961 2567 1 6 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.260 0.959 25961 2568 1 6 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.523 -1.374 25961 2569 1 6 . 1 1 52 52 VAL H H 52 8.482 8.482 8.188 0.294 25961 2570 1 6 . 1 1 53 53 GLY N N 53 117.052 117.052 114.575 2.477 25961 2571 1 6 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.732 -1.307 25961 2572 1 6 . 1 1 53 53 GLY H H 53 9.122 9.122 8.762 0.360 25961 2573 1 6 . 1 1 54 54 ASP N N 54 124.203 124.203 121.939 2.264 25961 2574 1 6 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.819 0.014 25961 2575 1 6 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.914 0.820 25961 2576 1 6 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.533 -1.254 25961 2577 1 6 . 1 1 54 54 ASP H H 54 7.848 7.848 7.674 0.174 25961 2578 1 6 . 1 1 55 55 GLN N N 55 121.703 121.703 123.228 -1.525 25961 2579 1 6 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.308 0.559 25961 2580 1 6 . 1 1 55 55 GLN CA C 55 53.526 53.526 56.311 -2.785 25961 2581 1 6 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.605 -0.573 25961 2582 1 6 . 1 1 55 55 GLN H H 55 9.158 9.158 8.074 1.084 25961 2583 1 6 . 1 1 56 56 LEU N N 56 124.733 124.733 121.386 3.347 25961 2584 1 6 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.822 -0.635 25961 2585 1 6 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.117 1.078 25961 2586 1 6 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.194 -0.181 25961 2587 1 6 . 1 1 56 56 LEU H H 56 8.770 8.770 8.468 0.302 25961 2588 1 6 . 1 1 57 57 VAL N N 57 123.383 123.383 119.058 4.325 25961 2589 1 6 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.517 -0.209 25961 2590 1 6 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.532 1.611 25961 2591 1 6 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.674 -1.039 25961 2592 1 6 . 1 1 57 57 VAL H H 57 8.889 8.889 8.131 0.758 25961 2593 1 6 . 1 1 58 58 ARG N N 58 118.094 118.094 119.704 -1.610 25961 2594 1 6 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.990 1.348 25961 2595 1 6 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.400 -3.188 25961 2596 1 6 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.014 5.599 25961 2597 1 6 . 1 1 58 58 ARG H H 58 8.531 8.531 7.726 0.805 25961 2598 1 6 . 1 1 59 59 PHE N N 59 123.332 123.332 117.189 6.143 25961 2599 1 6 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.640 0.295 25961 2600 1 6 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.125 0.731 25961 2601 1 6 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.412 0.559 25961 2602 1 6 . 1 1 59 59 PHE H H 59 9.295 9.295 7.768 1.527 25961 2603 1 6 . 1 1 60 60 ALA N N 60 127.537 127.537 126.451 1.086 25961 2604 1 6 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.060 -0.473 25961 2605 1 6 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.219 0.155 25961 2606 1 6 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.549 -2.076 25961 2607 1 6 . 1 1 60 60 ALA H H 60 8.356 8.356 7.710 0.646 25961 2608 1 6 . 1 1 61 61 GLY N N 61 103.058 103.058 110.828 -7.770 25961 2609 1 6 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.654 -0.867 25961 2610 1 6 . 1 1 61 61 GLY H H 61 9.178 9.178 8.138 1.040 25961 2611 1 6 . 1 1 62 62 TYR N N 62 120.218 120.218 116.528 3.690 25961 2612 1 6 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.024 0.606 25961 2613 1 6 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.669 -2.092 25961 2614 1 6 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.639 3.253 25961 2615 1 6 . 1 1 62 62 TYR H H 62 7.888 7.888 7.666 0.222 25961 2616 1 6 . 1 1 63 63 THR N N 63 120.933 120.933 111.661 9.272 25961 2617 1 6 . 1 1 63 63 THR HA H 63 4.479 4.479 4.859 -0.380 25961 2618 1 6 . 1 1 63 63 THR CA C 63 62.851 62.851 60.472 2.379 25961 2619 1 6 . 1 1 63 63 THR CB C 63 67.848 67.848 72.113 -4.265 25961 2620 1 6 . 1 1 63 63 THR H H 63 9.108 9.108 7.686 1.422 25961 2621 1 6 . 1 1 64 64 VAL N N 64 121.039 121.039 124.752 -3.713 25961 2622 1 6 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.457 0.142 25961 2623 1 6 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.621 -1.754 25961 2624 1 6 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.195 -1.191 25961 2625 1 6 . 1 1 64 64 VAL H H 64 7.782 7.782 8.658 -0.876 25961 2626 1 6 . 1 1 65 65 THR N N 65 114.373 114.373 118.618 -4.245 25961 2627 1 6 . 1 1 65 65 THR HA H 65 4.452 4.452 4.213 0.239 25961 2628 1 6 . 1 1 65 65 THR CA C 65 60.536 60.536 64.689 -4.153 25961 2629 1 6 . 1 1 65 65 THR CB C 65 69.037 69.037 69.466 -0.429 25961 2630 1 6 . 1 1 65 65 THR H H 65 9.053 9.053 8.610 0.443 25961 2631 1 6 . 1 1 66 66 GLU N N 66 115.766 115.766 116.471 -0.705 25961 2632 1 6 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.418 0.145 25961 2633 1 6 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.985 -2.598 25961 2634 1 6 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.993 0.572 25961 2635 1 6 . 1 1 66 66 GLU H H 66 7.345 7.345 7.735 -0.390 25961 2636 1 6 . 1 1 67 67 LEU N N 67 124.674 124.674 117.844 6.830 25961 2637 1 6 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.489 -0.555 25961 2638 1 6 . 1 1 67 67 LEU CA C 67 57.535 57.535 58.112 -0.577 25961 2639 1 6 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.420 -0.367 25961 2640 1 6 . 1 1 67 67 LEU H H 67 8.906 8.906 8.527 0.379 25961 2641 1 6 . 1 1 68 68 ALA N N 68 120.493 120.493 121.272 -0.779 25961 2642 1 6 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.012 0.124 25961 2643 1 6 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.031 -0.357 25961 2644 1 6 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.869 -1.347 25961 2645 1 6 . 1 1 68 68 ALA H H 68 9.022 9.022 8.349 0.673 25961 2646 1 6 . 1 1 69 69 ALA N N 69 119.695 119.695 121.256 -1.561 25961 2647 1 6 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.199 -0.037 25961 2648 1 6 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.566 -0.547 25961 2649 1 6 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.649 -0.986 25961 2650 1 6 . 1 1 69 69 ALA H H 69 7.258 7.258 7.684 -0.426 25961 2651 1 6 . 1 1 70 70 PHE N N 70 119.274 119.274 119.544 -0.270 25961 2652 1 6 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.217 -0.258 25961 2653 1 6 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.898 0.062 25961 2654 1 6 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.719 -1.287 25961 2655 1 6 . 1 1 70 70 PHE H H 70 7.769 7.769 7.850 -0.081 25961 2656 1 6 . 1 1 71 71 ASN N N 71 117.363 117.363 118.833 -1.470 25961 2657 1 6 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.487 -0.385 25961 2658 1 6 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.028 -2.330 25961 2659 1 6 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.662 -2.589 25961 2660 1 6 . 1 1 71 71 ASN H H 71 8.801 8.801 8.455 0.346 25961 2661 1 6 . 1 1 72 72 THR N N 72 119.746 119.746 115.419 4.327 25961 2662 1 6 . 1 1 72 72 THR HA H 72 4.220 4.220 4.101 0.119 25961 2663 1 6 . 1 1 72 72 THR CA C 72 65.927 65.927 66.089 -0.162 25961 2664 1 6 . 1 1 72 72 THR CB C 72 67.600 67.600 68.837 -1.237 25961 2665 1 6 . 1 1 72 72 THR H H 72 8.109 8.109 7.506 0.603 25961 2666 1 6 . 1 1 73 73 VAL N N 73 123.156 123.156 122.335 0.821 25961 2667 1 6 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.726 -0.271 25961 2668 1 6 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.069 0.087 25961 2669 1 6 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.108 -0.772 25961 2670 1 6 . 1 1 73 73 VAL H H 73 7.744 7.744 7.329 0.415 25961 2671 1 6 . 1 1 74 74 VAL N N 74 120.420 120.420 119.583 0.837 25961 2672 1 6 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.465 -0.099 25961 2673 1 6 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.743 -0.145 25961 2674 1 6 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.136 -0.651 25961 2675 1 6 . 1 1 74 74 VAL H H 74 8.154 8.154 8.165 -0.011 25961 2676 1 6 . 1 1 75 75 ALA N N 75 120.206 120.206 121.758 -1.552 25961 2677 1 6 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.047 -0.052 25961 2678 1 6 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.973 -0.974 25961 2679 1 6 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.420 -1.456 25961 2680 1 6 . 1 1 75 75 ALA H H 75 7.788 7.788 7.919 -0.131 25961 2681 1 6 . 1 1 76 76 ARG N N 76 114.701 114.701 115.834 -1.133 25961 2682 1 6 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.208 -0.123 25961 2683 1 6 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.285 -0.303 25961 2684 1 6 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.075 0.609 25961 2685 1 6 . 1 1 76 76 ARG H H 76 7.705 7.705 7.626 0.079 25961 2686 1 6 . 1 1 77 77 HIS N N 77 112.695 112.695 117.878 -5.183 25961 2687 1 6 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.481 0.329 25961 2688 1 6 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.645 -0.484 25961 2689 1 6 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.232 0.801 25961 2690 1 6 . 1 1 77 77 HIS H H 77 8.123 8.123 7.954 0.169 25961 2691 1 6 . 1 1 78 78 VAL N N 78 119.219 119.219 121.848 -2.629 25961 2692 1 6 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.671 0.223 25961 2693 1 6 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.643 -1.078 25961 2694 1 6 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.525 -1.397 25961 2695 1 6 . 1 1 78 78 VAL H H 78 8.034 8.034 7.886 0.148 25961 2696 1 6 . 1 1 79 79 ARG N N 79 126.908 126.908 127.066 -0.158 25961 2697 1 6 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.710 -1.349 25961 2698 1 6 . 1 1 79 79 ARG CB C 79 30.191 30.191 34.036 -3.845 25961 2699 1 6 . 1 1 79 79 ARG H H 79 7.023 7.023 8.412 -1.389 25961 2700 1 6 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.605 -0.580 25961 2701 1 6 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.363 0.207 25961 2702 1 6 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.645 -0.433 25961 2703 1 6 . 1 1 81 81 SER N N 81 115.039 115.039 114.803 0.236 25961 2704 1 6 . 1 1 81 81 SER HA H 81 4.047 4.047 4.024 0.023 25961 2705 1 6 . 1 1 81 81 SER CA C 81 60.713 60.713 58.877 1.835 25961 2706 1 6 . 1 1 81 81 SER H H 81 8.210 8.210 8.381 -0.171 25961 2707 1 6 . 1 1 82 82 ALA N N 82 123.546 123.546 123.977 -0.431 25961 2708 1 6 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.628 -0.282 25961 2709 1 6 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.313 0.193 25961 2710 1 6 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.229 -1.134 25961 2711 1 6 . 1 1 82 82 ALA H H 82 7.770 7.770 7.372 0.398 25961 2712 1 6 . 1 1 83 83 SER N N 83 116.753 116.753 118.998 -2.245 25961 2713 1 6 . 1 1 83 83 SER HA H 83 5.129 5.129 5.448 -0.319 25961 2714 1 6 . 1 1 83 83 SER CA C 83 56.582 56.582 57.326 -0.744 25961 2715 1 6 . 1 1 83 83 SER CB C 83 62.554 62.554 64.954 -2.400 25961 2716 1 6 . 1 1 83 83 SER H H 83 8.524 8.524 8.575 -0.051 25961 2717 1 6 . 1 1 84 84 ILE N N 84 126.985 126.985 117.495 9.490 25961 2718 1 6 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.870 -3.084 25961 2719 1 6 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.262 -1.838 25961 2720 1 6 . 1 1 84 84 ILE H H 84 9.599 9.599 8.147 1.452 25961 2721 1 6 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.534 0.411 25961 2722 1 6 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.604 -1.050 25961 2723 1 6 . 1 1 85 85 PRO CB C 85 31.427 31.427 32.298 -0.871 25961 2724 1 6 . 1 1 86 86 VAL N N 86 123.811 123.811 121.334 2.477 25961 2725 1 6 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.434 0.415 25961 2726 1 6 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.103 -0.330 25961 2727 1 6 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.963 -1.319 25961 2728 1 6 . 1 1 86 86 VAL H H 86 9.033 9.033 7.927 1.106 25961 2729 1 6 . 1 1 87 87 VAL N N 87 127.839 127.839 126.060 1.779 25961 2730 1 6 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.310 0.662 25961 2731 1 6 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.291 -0.598 25961 2732 1 6 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.598 0.820 25961 2733 1 6 . 1 1 87 87 VAL H H 87 9.132 9.132 8.520 0.612 25961 2734 1 6 . 1 1 88 88 PHE N N 88 127.301 127.301 126.370 0.931 25961 2735 1 6 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.572 0.047 25961 2736 1 6 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.556 -0.345 25961 2737 1 6 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.312 -1.310 25961 2738 1 6 . 1 1 88 88 PHE H H 88 9.248 9.248 7.864 1.384 25961 2739 1 6 . 1 1 89 89 SER N N 89 113.734 113.734 115.075 -1.341 25961 2740 1 6 . 1 1 89 89 SER HA H 89 5.336 5.336 4.946 0.390 25961 2741 1 6 . 1 1 89 89 SER CA C 89 54.452 54.452 56.797 -2.345 25961 2742 1 6 . 1 1 89 89 SER CB C 89 64.474 64.474 65.878 -1.404 25961 2743 1 6 . 1 1 89 89 SER H H 89 9.689 9.689 8.228 1.461 25961 2744 1 6 . 1 1 90 90 ARG N N 90 128.114 128.114 125.488 2.626 25961 2745 1 6 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.651 0.096 25961 2746 1 6 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.331 -1.209 25961 2747 1 6 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.443 0.893 25961 2748 1 6 . 1 1 90 90 ARG H H 90 8.561 8.561 8.070 0.491 25961 2749 1 6 . 1 1 91 91 ASP N N 91 129.790 129.790 124.849 4.941 25961 2750 1 6 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.264 0.005 25961 2751 1 6 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.223 -0.722 25961 2752 1 6 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.866 0.215 25961 2753 1 6 . 1 1 91 91 ASP H H 91 9.461 9.461 8.810 0.651 25961 2754 1 6 . 1 1 92 92 GLY N N 92 102.404 102.404 102.644 -0.240 25961 2755 1 6 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.846 -0.541 25961 2756 1 6 . 1 1 92 92 GLY H H 92 8.391 8.391 7.955 0.436 25961 2757 1 6 . 1 1 93 93 VAL N N 93 123.090 123.090 121.728 1.362 25961 2758 1 6 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.838 0.164 25961 2759 1 6 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.526 -2.260 25961 2760 1 6 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.572 -0.754 25961 2761 1 6 . 1 1 93 93 VAL H H 93 7.682 7.682 7.326 0.356 25961 2762 1 6 . 1 1 94 94 VAL N N 94 128.414 128.414 125.580 2.834 25961 2763 1 6 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.718 0.416 25961 2764 1 6 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.968 1.371 25961 2765 1 6 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.022 -1.906 25961 2766 1 6 . 1 1 94 94 VAL H H 94 8.400 8.400 8.179 0.221 25961 2767 1 6 . 1 1 95 95 MET N N 95 129.196 129.196 128.280 0.916 25961 2768 1 6 . 1 1 95 95 MET HA H 95 4.352 4.352 4.714 -0.362 25961 2769 1 6 . 1 1 95 95 MET CA C 95 53.674 53.674 54.078 -0.404 25961 2770 1 6 . 1 1 95 95 MET CB C 95 36.104 36.104 36.871 -0.767 25961 2771 1 6 . 1 1 95 95 MET H H 95 9.100 9.100 7.883 1.217 25961 2772 1 6 . 1 1 96 96 SER N N 96 111.540 111.540 117.260 -5.720 25961 2773 1 6 . 1 1 96 96 SER HA H 96 5.469 5.469 5.340 0.129 25961 2774 1 6 . 1 1 96 96 SER CA C 96 55.830 55.830 56.796 -0.966 25961 2775 1 6 . 1 1 96 96 SER CB C 96 65.471 65.471 65.753 -0.282 25961 2776 1 6 . 1 1 96 96 SER H H 96 8.004 8.004 8.249 -0.245 25961 2777 1 6 . 1 1 97 97 ALA N N 97 124.079 124.079 128.283 -4.204 25961 2778 1 6 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.783 0.005 25961 2779 1 6 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.792 -1.393 25961 2780 1 6 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.988 0.556 25961 2781 1 6 . 1 1 97 97 ALA H H 97 9.145 9.145 8.407 0.738 25961 2782 1 6 . 1 1 98 98 THR N N 98 117.342 117.342 118.279 -0.937 25961 2783 1 6 . 1 1 98 98 THR HA H 98 4.823 4.823 4.360 0.463 25961 2784 1 6 . 1 1 98 98 THR CA C 98 61.053 61.053 62.602 -1.549 25961 2785 1 6 . 1 1 98 98 THR CB C 98 69.913 69.913 68.953 0.960 25961 2786 1 6 . 1 1 98 98 THR H H 98 8.754 8.754 8.452 0.302 25961 2787 1 6 . 1 1 99 99 ILE N N 99 125.689 125.689 128.165 -2.476 25961 2788 1 6 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.394 -0.283 25961 2789 1 6 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.272 -0.903 25961 2790 1 6 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.234 -0.543 25961 2791 1 6 . 1 1 99 99 ILE H H 99 8.868 8.868 8.037 0.831 25961 2792 1 6 . 1 1 100 100 VAL N N 100 129.871 129.871 123.178 6.693 25961 2793 1 6 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.399 0.267 25961 2794 1 6 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.539 -0.672 25961 2795 1 6 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.085 -2.475 25961 2796 1 6 . 1 1 100 100 VAL H H 100 8.818 8.818 8.298 0.520 25961 2797 1 6 . 1 1 101 101 VAL N N 101 128.299 128.299 127.639 0.660 25961 2798 1 6 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.263 -0.894 25961 2799 1 6 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.861 2.466 25961 2800 1 6 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.715 -2.741 25961 2801 1 6 . 1 1 101 101 VAL H H 101 8.795 8.795 7.771 1.024 25961 2802 1 6 . 1 1 102 102 GLY N N 102 115.466 115.466 112.975 2.491 25961 2803 1 6 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.255 -0.575 25961 2804 1 6 . 1 1 102 102 GLY H H 102 8.393 8.393 8.532 -0.139 25961 2805 1 6 . 1 1 103 103 GLU N N 103 119.459 119.459 125.563 -6.104 25961 2806 1 6 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.260 0.695 25961 2807 1 6 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.933 -3.187 25961 2808 1 6 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.079 2.122 25961 2809 1 6 . 1 1 103 103 GLU H H 103 8.386 8.386 8.668 -0.282 25961 2810 1 6 . 1 1 104 104 LEU N N 104 123.881 123.881 119.713 4.168 25961 2811 1 6 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.552 0.148 25961 2812 1 6 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.806 -1.239 25961 2813 1 6 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.257 3.801 25961 2814 1 6 . 1 1 104 104 LEU H H 104 8.735 8.735 7.688 1.047 25961 2815 1 7 . 1 1 2 2 LEU N N 2 122.611 122.611 113.989 8.622 25961 2816 1 7 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.780 -0.388 25961 2817 1 7 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.954 -0.622 25961 2818 1 7 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.988 -2.671 25961 2819 1 7 . 1 1 2 2 LEU H H 2 8.535 8.535 8.093 0.442 25961 2820 1 7 . 1 1 3 3 THR N N 3 112.475 112.475 113.530 -1.055 25961 2821 1 7 . 1 1 3 3 THR HA H 3 4.777 4.777 4.544 0.233 25961 2822 1 7 . 1 1 3 3 THR CA C 3 59.259 59.259 60.920 -1.661 25961 2823 1 7 . 1 1 3 3 THR CB C 3 70.185 70.185 71.219 -1.034 25961 2824 1 7 . 1 1 3 3 THR H H 3 7.903 7.903 8.244 -0.341 25961 2825 1 7 . 1 1 4 4 ARG N N 4 120.183 120.183 124.087 -3.904 25961 2826 1 7 . 1 1 4 4 ARG H H 4 8.809 8.809 8.200 0.609 25961 2827 1 7 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.430 -0.058 25961 2828 1 7 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.295 1.722 25961 2829 1 7 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.455 1.133 25961 2830 1 7 . 1 1 6 6 TYR N N 6 120.727 120.727 122.322 -1.595 25961 2831 1 7 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.619 0.015 25961 2832 1 7 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.606 -1.530 25961 2833 1 7 . 1 1 6 6 TYR CB C 6 41.054 41.054 40.719 0.335 25961 2834 1 7 . 1 1 6 6 TYR H H 6 7.530 7.530 8.060 -0.530 25961 2835 1 7 . 1 1 7 7 LEU N N 7 126.575 126.575 124.853 1.722 25961 2836 1 7 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.834 -0.427 25961 2837 1 7 . 1 1 7 7 LEU H H 7 8.500 8.500 8.510 -0.010 25961 2838 1 7 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.217 0.490 25961 2839 1 7 . 1 1 9 9 PHE N N 9 114.612 114.612 116.375 -1.763 25961 2840 1 7 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.771 0.587 25961 2841 1 7 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.526 -1.264 25961 2842 1 7 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.857 -1.403 25961 2843 1 7 . 1 1 9 9 PHE H H 9 7.102 7.102 7.296 -0.194 25961 2844 1 7 . 1 1 10 10 ARG N N 10 117.800 117.800 120.734 -2.934 25961 2845 1 7 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.726 -0.055 25961 2846 1 7 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.881 -1.482 25961 2847 1 7 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.958 0.857 25961 2848 1 7 . 1 1 10 10 ARG H H 10 8.206 8.206 8.544 -0.338 25961 2849 1 7 . 1 1 11 11 VAL N N 11 117.216 117.216 118.010 -0.794 25961 2850 1 7 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.024 0.143 25961 2851 1 7 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.209 -2.019 25961 2852 1 7 . 1 1 11 11 VAL CB C 11 33.875 33.875 33.982 -0.107 25961 2853 1 7 . 1 1 11 11 VAL H H 11 8.601 8.601 8.394 0.207 25961 2854 1 7 . 1 1 12 12 ALA N N 12 123.025 123.025 130.508 -7.483 25961 2855 1 7 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.816 -0.236 25961 2856 1 7 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.720 -1.177 25961 2857 1 7 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.723 1.060 25961 2858 1 7 . 1 1 12 12 ALA H H 12 8.861 8.861 8.122 0.739 25961 2859 1 7 . 1 1 13 13 VAL N N 13 121.395 121.395 123.962 -2.567 25961 2860 1 7 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.018 0.533 25961 2861 1 7 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.640 -1.357 25961 2862 1 7 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.149 -0.455 25961 2863 1 7 . 1 1 13 13 VAL H H 13 8.585 8.585 8.791 -0.206 25961 2864 1 7 . 1 1 14 14 GLY N N 14 117.546 117.546 116.762 0.784 25961 2865 1 7 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.416 -2.032 25961 2866 1 7 . 1 1 14 14 GLY H H 14 8.789 8.789 8.239 0.550 25961 2867 1 7 . 1 1 15 15 ARG N N 15 120.075 120.075 121.212 -1.137 25961 2868 1 7 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.744 0.366 25961 2869 1 7 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.074 -1.181 25961 2870 1 7 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.608 0.148 25961 2871 1 7 . 1 1 15 15 ARG H H 15 8.299 8.299 8.369 -0.070 25961 2872 1 7 . 1 1 16 16 ASP N N 16 123.872 123.872 119.761 4.111 25961 2873 1 7 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.747 -0.002 25961 2874 1 7 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.946 -1.575 25961 2875 1 7 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.816 -1.064 25961 2876 1 7 . 1 1 16 16 ASP H H 16 8.619 8.619 8.470 0.149 25961 2877 1 7 . 1 1 17 17 SER N N 17 114.309 114.309 114.191 0.118 25961 2878 1 7 . 1 1 17 17 SER HA H 17 4.196 4.196 4.248 -0.052 25961 2879 1 7 . 1 1 17 17 SER CA C 17 59.950 59.950 60.255 -0.305 25961 2880 1 7 . 1 1 17 17 SER CB C 17 61.825 61.825 63.495 -1.670 25961 2881 1 7 . 1 1 17 17 SER H H 17 8.624 8.624 8.311 0.313 25961 2882 1 7 . 1 1 18 18 SER N N 18 117.903 117.903 115.910 1.993 25961 2883 1 7 . 1 1 18 18 SER HA H 18 4.597 4.597 4.446 0.151 25961 2884 1 7 . 1 1 18 18 SER CA C 18 57.732 57.732 59.119 -1.387 25961 2885 1 7 . 1 1 18 18 SER CB C 18 63.470 63.470 64.597 -1.127 25961 2886 1 7 . 1 1 18 18 SER H H 18 8.385 8.385 7.669 0.716 25961 2887 1 7 . 1 1 19 19 GLY N N 19 109.883 109.883 109.771 0.112 25961 2888 1 7 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.630 -0.459 25961 2889 1 7 . 1 1 19 19 GLY H H 19 8.214 8.214 8.333 -0.119 25961 2890 1 7 . 1 1 20 20 CYS N N 20 122.167 122.167 119.791 2.376 25961 2891 1 7 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.670 -0.182 25961 2892 1 7 . 1 1 20 20 CYS CA C 20 58.037 58.037 56.903 1.134 25961 2893 1 7 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.847 -2.162 25961 2894 1 7 . 1 1 20 20 CYS H H 20 8.286 8.286 8.203 0.083 25961 2895 1 7 . 1 1 21 21 THR N N 21 119.387 119.387 115.760 3.627 25961 2896 1 7 . 1 1 21 21 THR HA H 21 4.764 4.764 3.931 0.833 25961 2897 1 7 . 1 1 21 21 THR CA C 21 61.953 61.953 63.641 -1.688 25961 2898 1 7 . 1 1 21 21 THR CB C 21 68.795 68.795 67.685 1.110 25961 2899 1 7 . 1 1 21 21 THR H H 21 8.626 8.626 7.997 0.629 25961 2900 1 7 . 1 1 22 22 THR N N 22 116.611 116.611 115.927 0.684 25961 2901 1 7 . 1 1 22 22 THR HA H 22 4.513 4.513 4.789 -0.276 25961 2902 1 7 . 1 1 22 22 THR CA C 22 58.918 58.918 59.701 -0.783 25961 2903 1 7 . 1 1 22 22 THR CB C 22 71.128 71.128 71.371 -0.243 25961 2904 1 7 . 1 1 22 22 THR H H 22 8.343 8.343 8.065 0.278 25961 2905 1 7 . 1 1 23 23 LEU N N 23 122.893 122.893 124.143 -1.250 25961 2906 1 7 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.935 -0.003 25961 2907 1 7 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.964 -1.477 25961 2908 1 7 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.822 -2.557 25961 2909 1 7 . 1 1 23 23 LEU H H 23 9.157 9.157 8.664 0.493 25961 2910 1 7 . 1 1 24 24 SER N N 24 116.771 116.771 115.553 1.218 25961 2911 1 7 . 1 1 24 24 SER HA H 24 5.173 5.173 4.817 0.356 25961 2912 1 7 . 1 1 24 24 SER CA C 24 55.247 55.247 57.205 -1.958 25961 2913 1 7 . 1 1 24 24 SER CB C 24 64.841 64.841 64.823 0.018 25961 2914 1 7 . 1 1 24 24 SER H H 24 8.656 8.656 8.087 0.569 25961 2915 1 7 . 1 1 25 25 ILE N N 25 122.747 122.747 124.196 -1.449 25961 2916 1 7 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.786 -0.755 25961 2917 1 7 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.088 2.182 25961 2918 1 7 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.155 -2.506 25961 2919 1 7 . 1 1 25 25 ILE H H 25 9.023 9.023 8.041 0.982 25961 2920 1 7 . 1 1 26 26 GLN N N 26 129.779 129.779 126.539 3.240 25961 2921 1 7 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.311 0.118 25961 2922 1 7 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.606 -3.019 25961 2923 1 7 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.755 0.521 25961 2924 1 7 . 1 1 26 26 GLN H H 26 9.093 9.093 8.531 0.562 25961 2925 1 7 . 1 1 27 27 GLU N N 27 118.722 118.722 117.603 1.119 25961 2926 1 7 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.115 0.849 25961 2927 1 7 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.576 0.446 25961 2928 1 7 . 1 1 27 27 GLU H H 27 7.479 7.479 8.028 -0.549 25961 2929 1 7 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.410 0.033 25961 2930 1 7 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.381 -0.226 25961 2931 1 7 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.775 0.905 25961 2932 1 7 . 1 1 29 29 THR N N 29 124.459 124.459 118.280 6.179 25961 2933 1 7 . 1 1 29 29 THR HA H 29 4.183 4.183 4.500 -0.317 25961 2934 1 7 . 1 1 29 29 THR CA C 29 62.474 62.474 62.372 0.102 25961 2935 1 7 . 1 1 29 29 THR CB C 29 68.811 68.811 68.528 0.283 25961 2936 1 7 . 1 1 29 29 THR H H 29 8.009 8.009 8.485 -0.476 25961 2937 1 7 . 1 1 30 30 GLN N N 30 130.053 130.053 119.038 11.015 25961 2938 1 7 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.416 -0.894 25961 2939 1 7 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.786 2.100 25961 2940 1 7 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.560 -1.255 25961 2941 1 7 . 1 1 30 30 GLN H H 30 9.321 9.321 8.334 0.987 25961 2942 1 7 . 1 1 31 31 THR N N 31 111.234 111.234 107.381 3.853 25961 2943 1 7 . 1 1 31 31 THR HA H 31 5.509 5.509 4.519 0.990 25961 2944 1 7 . 1 1 31 31 THR CA C 31 58.798 58.798 61.023 -2.225 25961 2945 1 7 . 1 1 31 31 THR CB C 31 71.374 71.374 69.170 2.204 25961 2946 1 7 . 1 1 31 31 THR H H 31 7.630 7.630 7.663 -0.033 25961 2947 1 7 . 1 1 32 32 TYR N N 32 121.998 121.998 121.256 0.742 25961 2948 1 7 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.702 0.101 25961 2949 1 7 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.977 -3.178 25961 2950 1 7 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.895 -2.177 25961 2951 1 7 . 1 1 32 32 TYR H H 32 9.359 9.359 7.471 1.888 25961 2952 1 7 . 1 1 33 33 THR N N 33 114.039 114.039 116.670 -2.631 25961 2953 1 7 . 1 1 33 33 THR HA H 33 4.390 4.390 4.655 -0.265 25961 2954 1 7 . 1 1 33 33 THR CA C 33 59.896 59.896 61.542 -1.646 25961 2955 1 7 . 1 1 33 33 THR CB C 33 69.135 69.135 72.282 -3.147 25961 2956 1 7 . 1 1 33 33 THR H H 33 7.985 7.985 7.824 0.161 25961 2957 1 7 . 1 1 34 34 GLY N N 34 113.445 113.445 110.201 3.244 25961 2958 1 7 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.856 -1.784 25961 2959 1 7 . 1 1 34 34 GLY H H 34 8.698 8.698 8.418 0.280 25961 2960 1 7 . 1 1 35 35 SER N N 35 113.837 113.837 117.324 -3.487 25961 2961 1 7 . 1 1 35 35 SER HA H 35 4.264 4.264 4.691 -0.427 25961 2962 1 7 . 1 1 35 35 SER CA C 35 57.651 57.651 56.858 0.793 25961 2963 1 7 . 1 1 35 35 SER CB C 35 63.056 63.056 64.219 -1.163 25961 2964 1 7 . 1 1 35 35 SER H H 35 8.039 8.039 7.949 0.090 25961 2965 1 7 . 1 1 36 36 ASN N N 36 119.749 119.749 121.955 -2.206 25961 2966 1 7 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.402 0.182 25961 2967 1 7 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.463 -1.682 25961 2968 1 7 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.961 -0.774 25961 2969 1 7 . 1 1 36 36 ASN H H 36 8.767 8.767 9.110 -0.343 25961 2970 1 7 . 1 1 37 37 GLY N N 37 110.628 110.628 103.695 6.933 25961 2971 1 7 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.434 -0.849 25961 2972 1 7 . 1 1 37 37 GLY H H 37 8.496 8.496 7.708 0.788 25961 2973 1 7 . 1 1 38 38 GLY N N 38 108.654 108.654 109.034 -0.380 25961 2974 1 7 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.211 -1.111 25961 2975 1 7 . 1 1 38 38 GLY H H 38 7.955 7.955 8.074 -0.119 25961 2976 1 7 . 1 1 39 39 ALA N N 39 123.326 123.326 124.304 -0.978 25961 2977 1 7 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.372 -0.161 25961 2978 1 7 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.796 -0.958 25961 2979 1 7 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.472 -1.743 25961 2980 1 7 . 1 1 39 39 ALA H H 39 8.028 8.028 7.826 0.202 25961 2981 1 7 . 1 1 40 40 ASP N N 40 119.573 119.573 119.797 -0.224 25961 2982 1 7 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.480 -0.093 25961 2983 1 7 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.770 0.224 25961 2984 1 7 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.233 -0.605 25961 2985 1 7 . 1 1 40 40 ASP H H 40 8.261 8.261 8.134 0.127 25961 2986 1 7 . 1 1 41 41 LEU N N 41 123.899 123.899 122.806 1.093 25961 2987 1 7 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.299 0.143 25961 2988 1 7 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.820 -2.599 25961 2989 1 7 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.127 -2.118 25961 2990 1 7 . 1 1 41 41 LEU H H 41 8.663 8.663 7.971 0.692 25961 2991 1 7 . 1 1 42 42 MET N N 42 119.684 119.684 118.451 1.233 25961 2992 1 7 . 1 1 42 42 MET HA H 42 4.730 4.730 4.700 0.030 25961 2993 1 7 . 1 1 42 42 MET CA C 42 54.695 54.695 54.856 -0.161 25961 2994 1 7 . 1 1 42 42 MET CB C 42 32.194 32.194 33.031 -0.837 25961 2995 1 7 . 1 1 42 42 MET H H 42 8.553 8.553 8.188 0.365 25961 2996 1 7 . 1 1 43 43 GLY N N 43 113.052 113.052 112.896 0.156 25961 2997 1 7 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.306 -2.928 25961 2998 1 7 . 1 1 43 43 GLY H H 43 8.618 8.618 8.632 -0.014 25961 2999 1 7 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.483 0.237 25961 3000 1 7 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.570 -3.339 25961 3001 1 7 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.462 0.491 25961 3002 1 7 . 1 1 45 45 ALA N N 45 120.693 120.693 121.121 -0.428 25961 3003 1 7 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.202 -0.217 25961 3004 1 7 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.186 -0.382 25961 3005 1 7 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.255 -0.288 25961 3006 1 7 . 1 1 45 45 ALA H H 45 7.524 7.524 8.283 -0.759 25961 3007 1 7 . 1 1 46 46 PHE N N 46 122.306 122.306 119.037 3.269 25961 3008 1 7 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.238 -0.276 25961 3009 1 7 . 1 1 46 46 PHE CA C 46 60.326 60.326 58.676 1.650 25961 3010 1 7 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.556 0.064 25961 3011 1 7 . 1 1 46 46 PHE H H 46 8.603 8.603 8.135 0.468 25961 3012 1 7 . 1 1 47 47 ALA N N 47 123.253 123.253 120.704 2.549 25961 3013 1 7 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.009 0.079 25961 3014 1 7 . 1 1 47 47 ALA CA C 47 53.951 53.951 53.813 0.138 25961 3015 1 7 . 1 1 47 47 ALA CB C 47 17.647 17.647 17.963 -0.316 25961 3016 1 7 . 1 1 47 47 ALA H H 47 9.199 9.199 7.694 1.505 25961 3017 1 7 . 1 1 48 48 ALA N N 48 117.571 117.571 119.900 -2.329 25961 3018 1 7 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.182 0.121 25961 3019 1 7 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.047 -0.360 25961 3020 1 7 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.873 -1.101 25961 3021 1 7 . 1 1 48 48 ALA H H 48 7.262 7.262 7.382 -0.120 25961 3022 1 7 . 1 1 49 49 GLY N N 49 103.229 103.229 105.952 -2.723 25961 3023 1 7 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.605 -0.986 25961 3024 1 7 . 1 1 49 49 GLY H H 49 7.461 7.461 7.491 -0.030 25961 3025 1 7 . 1 1 50 50 LEU N N 50 120.470 120.470 122.387 -1.917 25961 3026 1 7 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.104 -0.586 25961 3027 1 7 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.964 -1.552 25961 3028 1 7 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.302 -0.347 25961 3029 1 7 . 1 1 50 50 LEU H H 50 7.224 7.224 7.417 -0.193 25961 3030 1 7 . 1 1 51 51 ARG N N 51 119.645 119.645 123.163 -3.518 25961 3031 1 7 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.419 -1.928 25961 3032 1 7 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.894 -1.078 25961 3033 1 7 . 1 1 51 51 ARG H H 51 8.678 8.678 8.190 0.488 25961 3034 1 7 . 1 1 52 52 VAL N N 52 119.995 119.995 119.326 0.669 25961 3035 1 7 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.594 -0.371 25961 3036 1 7 . 1 1 52 52 VAL CA C 52 64.218 64.218 64.044 0.174 25961 3037 1 7 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.211 -1.062 25961 3038 1 7 . 1 1 52 52 VAL H H 52 8.482 8.482 8.464 0.018 25961 3039 1 7 . 1 1 53 53 GLY N N 53 117.052 117.052 115.754 1.298 25961 3040 1 7 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.767 -1.342 25961 3041 1 7 . 1 1 53 53 GLY H H 53 9.122 9.122 8.832 0.290 25961 3042 1 7 . 1 1 54 54 ASP N N 54 124.203 124.203 124.054 0.149 25961 3043 1 7 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.677 0.156 25961 3044 1 7 . 1 1 54 54 ASP CA C 54 54.734 54.734 55.627 -0.893 25961 3045 1 7 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.739 -1.460 25961 3046 1 7 . 1 1 54 54 ASP H H 54 7.848 7.848 7.805 0.043 25961 3047 1 7 . 1 1 55 55 GLN N N 55 121.703 121.703 119.448 2.255 25961 3048 1 7 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.601 0.266 25961 3049 1 7 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.269 -1.743 25961 3050 1 7 . 1 1 55 55 GLN CB C 55 29.032 29.032 31.339 -2.307 25961 3051 1 7 . 1 1 55 55 GLN H H 55 9.158 9.158 8.065 1.093 25961 3052 1 7 . 1 1 56 56 LEU N N 56 124.733 124.733 124.008 0.725 25961 3053 1 7 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.610 -0.423 25961 3054 1 7 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.602 0.592 25961 3055 1 7 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.358 -1.345 25961 3056 1 7 . 1 1 56 56 LEU H H 56 8.770 8.770 8.629 0.141 25961 3057 1 7 . 1 1 57 57 VAL N N 57 123.383 123.383 120.014 3.369 25961 3058 1 7 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.493 -0.185 25961 3059 1 7 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.580 1.563 25961 3060 1 7 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.577 -0.942 25961 3061 1 7 . 1 1 57 57 VAL H H 57 8.889 8.889 8.197 0.692 25961 3062 1 7 . 1 1 58 58 ARG N N 58 118.094 118.094 119.759 -1.665 25961 3063 1 7 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.879 1.459 25961 3064 1 7 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.434 -3.222 25961 3065 1 7 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.730 5.883 25961 3066 1 7 . 1 1 58 58 ARG H H 58 8.531 8.531 7.723 0.808 25961 3067 1 7 . 1 1 59 59 PHE N N 59 123.332 123.332 117.069 6.263 25961 3068 1 7 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.641 0.294 25961 3069 1 7 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.196 0.660 25961 3070 1 7 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.288 0.683 25961 3071 1 7 . 1 1 59 59 PHE H H 59 9.295 9.295 7.681 1.614 25961 3072 1 7 . 1 1 60 60 ALA N N 60 127.537 127.537 125.342 2.195 25961 3073 1 7 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.283 -0.696 25961 3074 1 7 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.912 -0.538 25961 3075 1 7 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.065 -2.592 25961 3076 1 7 . 1 1 60 60 ALA H H 60 8.356 8.356 8.821 -0.465 25961 3077 1 7 . 1 1 61 61 GLY N N 61 103.058 103.058 111.299 -8.241 25961 3078 1 7 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.577 -0.790 25961 3079 1 7 . 1 1 61 61 GLY H H 61 9.178 9.178 8.306 0.872 25961 3080 1 7 . 1 1 62 62 TYR N N 62 120.218 120.218 116.558 3.660 25961 3081 1 7 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.017 0.613 25961 3082 1 7 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.631 -2.054 25961 3083 1 7 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.625 3.267 25961 3084 1 7 . 1 1 62 62 TYR H H 62 7.888 7.888 7.656 0.232 25961 3085 1 7 . 1 1 63 63 THR N N 63 120.933 120.933 112.077 8.856 25961 3086 1 7 . 1 1 63 63 THR HA H 63 4.479 4.479 4.826 -0.347 25961 3087 1 7 . 1 1 63 63 THR CA C 63 62.851 62.851 60.636 2.215 25961 3088 1 7 . 1 1 63 63 THR CB C 63 67.848 67.848 71.906 -4.058 25961 3089 1 7 . 1 1 63 63 THR H H 63 9.108 9.108 7.587 1.521 25961 3090 1 7 . 1 1 64 64 VAL N N 64 121.039 121.039 124.893 -3.854 25961 3091 1 7 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.750 -0.151 25961 3092 1 7 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.729 -1.862 25961 3093 1 7 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.380 -2.377 25961 3094 1 7 . 1 1 64 64 VAL H H 64 7.782 7.782 8.203 -0.421 25961 3095 1 7 . 1 1 65 65 THR N N 65 114.373 114.373 118.859 -4.486 25961 3096 1 7 . 1 1 65 65 THR HA H 65 4.452 4.452 4.413 0.039 25961 3097 1 7 . 1 1 65 65 THR CA C 65 60.536 60.536 63.363 -2.827 25961 3098 1 7 . 1 1 65 65 THR CB C 65 69.037 69.037 69.315 -0.278 25961 3099 1 7 . 1 1 65 65 THR H H 65 9.053 9.053 8.511 0.542 25961 3100 1 7 . 1 1 66 66 GLU N N 66 115.766 115.766 119.511 -3.745 25961 3101 1 7 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.399 0.164 25961 3102 1 7 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.951 -2.564 25961 3103 1 7 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.500 1.065 25961 3104 1 7 . 1 1 66 66 GLU H H 66 7.345 7.345 8.021 -0.676 25961 3105 1 7 . 1 1 67 67 LEU N N 67 124.674 124.674 118.261 6.413 25961 3106 1 7 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.456 -0.522 25961 3107 1 7 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.855 -0.320 25961 3108 1 7 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.612 0.441 25961 3109 1 7 . 1 1 67 67 LEU H H 67 8.906 8.906 8.511 0.395 25961 3110 1 7 . 1 1 68 68 ALA N N 68 120.493 120.493 120.606 -0.113 25961 3111 1 7 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.064 0.072 25961 3112 1 7 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.872 -0.198 25961 3113 1 7 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.904 -1.383 25961 3114 1 7 . 1 1 68 68 ALA H H 68 9.022 9.022 8.385 0.637 25961 3115 1 7 . 1 1 69 69 ALA N N 69 119.695 119.695 120.857 -1.162 25961 3116 1 7 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.296 -0.134 25961 3117 1 7 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.618 -0.598 25961 3118 1 7 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.670 -1.007 25961 3119 1 7 . 1 1 69 69 ALA H H 69 7.258 7.258 7.675 -0.417 25961 3120 1 7 . 1 1 70 70 PHE N N 70 119.274 119.274 118.620 0.654 25961 3121 1 7 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.252 -0.293 25961 3122 1 7 . 1 1 70 70 PHE CA C 70 60.960 60.960 59.435 1.524 25961 3123 1 7 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.568 -1.136 25961 3124 1 7 . 1 1 70 70 PHE H H 70 7.769 7.769 7.933 -0.164 25961 3125 1 7 . 1 1 71 71 ASN N N 71 117.363 117.363 118.968 -1.605 25961 3126 1 7 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.336 -0.234 25961 3127 1 7 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.754 -3.057 25961 3128 1 7 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.420 -2.347 25961 3129 1 7 . 1 1 71 71 ASN H H 71 8.801 8.801 8.108 0.693 25961 3130 1 7 . 1 1 72 72 THR N N 72 119.746 119.746 114.533 5.213 25961 3131 1 7 . 1 1 72 72 THR HA H 72 4.220 4.220 4.068 0.152 25961 3132 1 7 . 1 1 72 72 THR CA C 72 65.927 65.927 65.490 0.437 25961 3133 1 7 . 1 1 72 72 THR CB C 72 67.600 67.600 68.551 -0.951 25961 3134 1 7 . 1 1 72 72 THR H H 72 8.109 8.109 7.728 0.381 25961 3135 1 7 . 1 1 73 73 VAL N N 73 123.156 123.156 122.098 1.058 25961 3136 1 7 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.429 0.026 25961 3137 1 7 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.321 -0.165 25961 3138 1 7 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.936 -0.600 25961 3139 1 7 . 1 1 73 73 VAL H H 73 7.744 7.744 7.247 0.497 25961 3140 1 7 . 1 1 74 74 VAL N N 74 120.420 120.420 119.597 0.823 25961 3141 1 7 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.395 -0.029 25961 3142 1 7 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.138 0.460 25961 3143 1 7 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.173 -0.688 25961 3144 1 7 . 1 1 74 74 VAL H H 74 8.154 8.154 7.715 0.440 25961 3145 1 7 . 1 1 75 75 ALA N N 75 120.206 120.206 122.832 -2.626 25961 3146 1 7 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.075 -0.080 25961 3147 1 7 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.062 -1.063 25961 3148 1 7 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.371 -1.407 25961 3149 1 7 . 1 1 75 75 ALA H H 75 7.788 7.788 7.527 0.261 25961 3150 1 7 . 1 1 76 76 ARG N N 76 114.701 114.701 116.241 -1.540 25961 3151 1 7 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.251 -0.166 25961 3152 1 7 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.307 -0.325 25961 3153 1 7 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.464 0.220 25961 3154 1 7 . 1 1 76 76 ARG H H 76 7.705 7.705 7.703 0.002 25961 3155 1 7 . 1 1 77 77 HIS N N 77 112.695 112.695 117.270 -4.575 25961 3156 1 7 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.385 0.425 25961 3157 1 7 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.776 -0.615 25961 3158 1 7 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.770 0.263 25961 3159 1 7 . 1 1 77 77 HIS H H 77 8.123 8.123 7.823 0.300 25961 3160 1 7 . 1 1 78 78 VAL N N 78 119.219 119.219 120.596 -1.377 25961 3161 1 7 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.817 0.076 25961 3162 1 7 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.077 -0.512 25961 3163 1 7 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.200 -2.072 25961 3164 1 7 . 1 1 78 78 VAL H H 78 8.034 8.034 7.872 0.162 25961 3165 1 7 . 1 1 79 79 ARG N N 79 126.908 126.908 127.807 -0.899 25961 3166 1 7 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.826 -1.465 25961 3167 1 7 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.492 -3.301 25961 3168 1 7 . 1 1 79 79 ARG H H 79 7.023 7.023 8.199 -1.176 25961 3169 1 7 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.669 -0.644 25961 3170 1 7 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.517 0.053 25961 3171 1 7 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.280 -0.068 25961 3172 1 7 . 1 1 81 81 SER N N 81 115.039 115.039 114.808 0.231 25961 3173 1 7 . 1 1 81 81 SER HA H 81 4.047 4.047 3.966 0.081 25961 3174 1 7 . 1 1 81 81 SER CA C 81 60.713 60.713 58.975 1.738 25961 3175 1 7 . 1 1 81 81 SER H H 81 8.210 8.210 8.571 -0.361 25961 3176 1 7 . 1 1 82 82 ALA N N 82 123.546 123.546 123.421 0.125 25961 3177 1 7 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.595 -0.248 25961 3178 1 7 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.213 0.293 25961 3179 1 7 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.543 -1.448 25961 3180 1 7 . 1 1 82 82 ALA H H 82 7.770 7.770 7.319 0.451 25961 3181 1 7 . 1 1 83 83 SER N N 83 116.753 116.753 119.445 -2.692 25961 3182 1 7 . 1 1 83 83 SER HA H 83 5.129 5.129 5.236 -0.107 25961 3183 1 7 . 1 1 83 83 SER CA C 83 56.582 56.582 57.326 -0.744 25961 3184 1 7 . 1 1 83 83 SER CB C 83 62.554 62.554 64.574 -2.020 25961 3185 1 7 . 1 1 83 83 SER H H 83 8.524 8.524 8.584 -0.060 25961 3186 1 7 . 1 1 84 84 ILE N N 84 126.985 126.985 124.300 2.685 25961 3187 1 7 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.040 -2.254 25961 3188 1 7 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.374 -1.950 25961 3189 1 7 . 1 1 84 84 ILE H H 84 9.599 9.599 8.380 1.219 25961 3190 1 7 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.511 0.434 25961 3191 1 7 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.614 -1.060 25961 3192 1 7 . 1 1 85 85 PRO CB C 85 31.427 31.427 30.567 0.861 25961 3193 1 7 . 1 1 86 86 VAL N N 86 123.811 123.811 121.354 2.457 25961 3194 1 7 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.660 0.189 25961 3195 1 7 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.472 -0.699 25961 3196 1 7 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.499 0.145 25961 3197 1 7 . 1 1 86 86 VAL H H 86 9.033 9.033 7.720 1.313 25961 3198 1 7 . 1 1 87 87 VAL N N 87 127.839 127.839 122.562 5.277 25961 3199 1 7 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.418 0.554 25961 3200 1 7 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.721 -1.028 25961 3201 1 7 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.890 -0.472 25961 3202 1 7 . 1 1 87 87 VAL H H 87 9.132 9.132 8.327 0.805 25961 3203 1 7 . 1 1 88 88 PHE N N 88 127.301 127.301 125.076 2.225 25961 3204 1 7 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.369 0.249 25961 3205 1 7 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.789 -0.578 25961 3206 1 7 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.259 -1.257 25961 3207 1 7 . 1 1 88 88 PHE H H 88 9.248 9.248 7.962 1.286 25961 3208 1 7 . 1 1 89 89 SER N N 89 113.734 113.734 114.148 -0.414 25961 3209 1 7 . 1 1 89 89 SER HA H 89 5.336 5.336 5.008 0.328 25961 3210 1 7 . 1 1 89 89 SER CA C 89 54.452 54.452 56.435 -1.983 25961 3211 1 7 . 1 1 89 89 SER CB C 89 64.474 64.474 65.939 -1.466 25961 3212 1 7 . 1 1 89 89 SER H H 89 9.689 9.689 8.214 1.475 25961 3213 1 7 . 1 1 90 90 ARG N N 90 128.114 128.114 125.269 2.845 25961 3214 1 7 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.507 0.240 25961 3215 1 7 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.007 -0.885 25961 3216 1 7 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.633 1.703 25961 3217 1 7 . 1 1 90 90 ARG H H 90 8.561 8.561 8.001 0.560 25961 3218 1 7 . 1 1 91 91 ASP N N 91 129.790 129.790 120.429 9.361 25961 3219 1 7 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.435 -0.166 25961 3220 1 7 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.984 -0.483 25961 3221 1 7 . 1 1 91 91 ASP CB C 91 39.081 39.081 40.181 -1.100 25961 3222 1 7 . 1 1 91 91 ASP H H 91 9.461 9.461 8.529 0.932 25961 3223 1 7 . 1 1 92 92 GLY N N 92 102.404 102.404 102.226 0.178 25961 3224 1 7 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.037 -0.732 25961 3225 1 7 . 1 1 92 92 GLY H H 92 8.391 8.391 8.108 0.283 25961 3226 1 7 . 1 1 93 93 VAL N N 93 123.090 123.090 120.516 2.574 25961 3227 1 7 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.059 -0.057 25961 3228 1 7 . 1 1 93 93 VAL CA C 93 61.266 61.266 61.082 0.184 25961 3229 1 7 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.688 -1.870 25961 3230 1 7 . 1 1 93 93 VAL H H 93 7.682 7.682 7.448 0.234 25961 3231 1 7 . 1 1 94 94 VAL N N 94 128.414 128.414 126.353 2.061 25961 3232 1 7 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.704 0.430 25961 3233 1 7 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.393 0.947 25961 3234 1 7 . 1 1 94 94 VAL CB C 94 30.116 30.116 31.400 -1.284 25961 3235 1 7 . 1 1 94 94 VAL H H 94 8.400 8.400 8.156 0.244 25961 3236 1 7 . 1 1 95 95 MET N N 95 129.196 129.196 128.738 0.458 25961 3237 1 7 . 1 1 95 95 MET HA H 95 4.352 4.352 4.684 -0.332 25961 3238 1 7 . 1 1 95 95 MET CA C 95 53.674 53.674 54.173 -0.499 25961 3239 1 7 . 1 1 95 95 MET CB C 95 36.104 36.104 36.392 -0.288 25961 3240 1 7 . 1 1 95 95 MET H H 95 9.100 9.100 8.078 1.022 25961 3241 1 7 . 1 1 96 96 SER N N 96 111.540 111.540 115.837 -4.297 25961 3242 1 7 . 1 1 96 96 SER HA H 96 5.469 5.469 4.995 0.474 25961 3243 1 7 . 1 1 96 96 SER CA C 96 55.830 55.830 57.215 -1.385 25961 3244 1 7 . 1 1 96 96 SER CB C 96 65.471 65.471 65.727 -0.256 25961 3245 1 7 . 1 1 96 96 SER H H 96 8.004 8.004 8.228 -0.224 25961 3246 1 7 . 1 1 97 97 ALA N N 97 124.079 124.079 128.534 -4.455 25961 3247 1 7 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.865 -0.077 25961 3248 1 7 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.054 -1.655 25961 3249 1 7 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.331 0.213 25961 3250 1 7 . 1 1 97 97 ALA H H 97 9.145 9.145 8.533 0.612 25961 3251 1 7 . 1 1 98 98 THR N N 98 117.342 117.342 118.587 -1.245 25961 3252 1 7 . 1 1 98 98 THR HA H 98 4.823 4.823 4.340 0.483 25961 3253 1 7 . 1 1 98 98 THR CA C 98 61.053 61.053 62.838 -1.785 25961 3254 1 7 . 1 1 98 98 THR CB C 98 69.913 69.913 69.260 0.653 25961 3255 1 7 . 1 1 98 98 THR H H 98 8.754 8.754 8.419 0.335 25961 3256 1 7 . 1 1 99 99 ILE N N 99 125.689 125.689 128.635 -2.946 25961 3257 1 7 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.377 -0.266 25961 3258 1 7 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.611 -1.242 25961 3259 1 7 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.233 -0.542 25961 3260 1 7 . 1 1 99 99 ILE H H 99 8.868 8.868 8.148 0.720 25961 3261 1 7 . 1 1 100 100 VAL N N 100 129.871 129.871 127.782 2.089 25961 3262 1 7 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.293 0.373 25961 3263 1 7 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.570 0.297 25961 3264 1 7 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.516 -2.906 25961 3265 1 7 . 1 1 100 100 VAL H H 100 8.818 8.818 8.461 0.357 25961 3266 1 7 . 1 1 101 101 VAL N N 101 128.299 128.299 128.857 -0.558 25961 3267 1 7 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.361 -0.992 25961 3268 1 7 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.444 3.883 25961 3269 1 7 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.449 -2.475 25961 3270 1 7 . 1 1 101 101 VAL H H 101 8.795 8.795 7.803 0.992 25961 3271 1 7 . 1 1 102 102 GLY N N 102 115.466 115.466 112.170 3.296 25961 3272 1 7 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.470 -0.790 25961 3273 1 7 . 1 1 102 102 GLY H H 102 8.393 8.393 8.462 -0.069 25961 3274 1 7 . 1 1 103 103 GLU N N 103 119.459 119.459 125.407 -5.948 25961 3275 1 7 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.337 0.618 25961 3276 1 7 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.039 -2.293 25961 3277 1 7 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.414 1.787 25961 3278 1 7 . 1 1 103 103 GLU H H 103 8.386 8.386 8.337 0.049 25961 3279 1 7 . 1 1 104 104 LEU N N 104 123.881 123.881 117.619 6.262 25961 3280 1 7 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.581 0.119 25961 3281 1 7 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.361 -0.794 25961 3282 1 7 . 1 1 104 104 LEU CB C 104 44.058 44.058 45.141 -1.083 25961 3283 1 7 . 1 1 104 104 LEU H H 104 8.735 8.735 7.614 1.121 25961 3284 1 8 . 1 1 2 2 LEU N N 2 122.611 122.611 115.107 7.504 25961 3285 1 8 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.813 -0.421 25961 3286 1 8 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.900 -0.568 25961 3287 1 8 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.185 -2.868 25961 3288 1 8 . 1 1 2 2 LEU H H 2 8.535 8.535 8.168 0.367 25961 3289 1 8 . 1 1 3 3 THR N N 3 112.475 112.475 113.746 -1.271 25961 3290 1 8 . 1 1 3 3 THR HA H 3 4.777 4.777 4.515 0.262 25961 3291 1 8 . 1 1 3 3 THR CA C 3 59.259 59.259 60.202 -0.943 25961 3292 1 8 . 1 1 3 3 THR CB C 3 70.185 70.185 71.105 -0.920 25961 3293 1 8 . 1 1 3 3 THR H H 3 7.903 7.903 8.268 -0.365 25961 3294 1 8 . 1 1 4 4 ARG N N 4 120.183 120.183 123.671 -3.488 25961 3295 1 8 . 1 1 4 4 ARG H H 4 8.809 8.809 8.530 0.279 25961 3296 1 8 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.461 -0.089 25961 3297 1 8 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.402 1.615 25961 3298 1 8 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.278 1.310 25961 3299 1 8 . 1 1 6 6 TYR N N 6 120.727 120.727 123.170 -2.443 25961 3300 1 8 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.657 -0.023 25961 3301 1 8 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.734 -1.658 25961 3302 1 8 . 1 1 6 6 TYR CB C 6 41.054 41.054 40.832 0.222 25961 3303 1 8 . 1 1 6 6 TYR H H 6 7.530 7.530 8.130 -0.600 25961 3304 1 8 . 1 1 7 7 LEU N N 7 126.575 126.575 126.377 0.198 25961 3305 1 8 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.989 -0.581 25961 3306 1 8 . 1 1 7 7 LEU H H 7 8.500 8.500 8.501 -0.001 25961 3307 1 8 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.897 0.810 25961 3308 1 8 . 1 1 9 9 PHE N N 9 114.612 114.612 115.289 -0.677 25961 3309 1 8 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.761 0.597 25961 3310 1 8 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.086 -0.824 25961 3311 1 8 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.996 -1.542 25961 3312 1 8 . 1 1 9 9 PHE H H 9 7.102 7.102 7.459 -0.357 25961 3313 1 8 . 1 1 10 10 ARG N N 10 117.800 117.800 120.451 -2.651 25961 3314 1 8 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.548 0.123 25961 3315 1 8 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.599 -1.200 25961 3316 1 8 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.279 0.536 25961 3317 1 8 . 1 1 10 10 ARG H H 10 8.206 8.206 8.711 -0.505 25961 3318 1 8 . 1 1 11 11 VAL N N 11 117.216 117.216 116.703 0.513 25961 3319 1 8 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.201 -0.034 25961 3320 1 8 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.637 -1.447 25961 3321 1 8 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.981 -1.106 25961 3322 1 8 . 1 1 11 11 VAL H H 11 8.601 8.601 8.257 0.344 25961 3323 1 8 . 1 1 12 12 ALA N N 12 123.025 123.025 129.291 -6.266 25961 3324 1 8 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.819 -0.239 25961 3325 1 8 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.641 -1.098 25961 3326 1 8 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.734 1.048 25961 3327 1 8 . 1 1 12 12 ALA H H 12 8.861 8.861 8.089 0.772 25961 3328 1 8 . 1 1 13 13 VAL N N 13 121.395 121.395 125.853 -4.458 25961 3329 1 8 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.588 -0.037 25961 3330 1 8 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.476 -1.193 25961 3331 1 8 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.702 -1.008 25961 3332 1 8 . 1 1 13 13 VAL H H 13 8.585 8.585 8.682 -0.097 25961 3333 1 8 . 1 1 14 14 GLY N N 14 117.546 117.546 116.312 1.234 25961 3334 1 8 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.121 -1.737 25961 3335 1 8 . 1 1 14 14 GLY H H 14 8.789 8.789 8.470 0.319 25961 3336 1 8 . 1 1 15 15 ARG N N 15 120.075 120.075 120.815 -0.740 25961 3337 1 8 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.704 0.406 25961 3338 1 8 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.030 -1.137 25961 3339 1 8 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.447 0.309 25961 3340 1 8 . 1 1 15 15 ARG H H 15 8.299 8.299 8.331 -0.032 25961 3341 1 8 . 1 1 16 16 ASP N N 16 123.872 123.872 120.164 3.708 25961 3342 1 8 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.725 0.020 25961 3343 1 8 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.855 -1.484 25961 3344 1 8 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.004 -1.252 25961 3345 1 8 . 1 1 16 16 ASP H H 16 8.619 8.619 8.417 0.202 25961 3346 1 8 . 1 1 17 17 SER N N 17 114.309 114.309 114.292 0.017 25961 3347 1 8 . 1 1 17 17 SER HA H 17 4.196 4.196 4.229 -0.033 25961 3348 1 8 . 1 1 17 17 SER CA C 17 59.950 59.950 60.380 -0.430 25961 3349 1 8 . 1 1 17 17 SER CB C 17 61.825 61.825 63.403 -1.578 25961 3350 1 8 . 1 1 17 17 SER H H 17 8.624 8.624 8.318 0.306 25961 3351 1 8 . 1 1 18 18 SER N N 18 117.903 117.903 115.588 2.315 25961 3352 1 8 . 1 1 18 18 SER HA H 18 4.597 4.597 4.464 0.133 25961 3353 1 8 . 1 1 18 18 SER CA C 18 57.732 57.732 58.495 -0.763 25961 3354 1 8 . 1 1 18 18 SER CB C 18 63.470 63.470 64.123 -0.653 25961 3355 1 8 . 1 1 18 18 SER H H 18 8.385 8.385 7.701 0.684 25961 3356 1 8 . 1 1 19 19 GLY N N 19 109.883 109.883 109.372 0.511 25961 3357 1 8 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.364 -1.192 25961 3358 1 8 . 1 1 19 19 GLY H H 19 8.214 8.214 7.879 0.335 25961 3359 1 8 . 1 1 20 20 CYS N N 20 122.167 122.167 118.767 3.400 25961 3360 1 8 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.739 -0.251 25961 3361 1 8 . 1 1 20 20 CYS CA C 20 58.037 58.037 56.871 1.166 25961 3362 1 8 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.479 -1.794 25961 3363 1 8 . 1 1 20 20 CYS H H 20 8.286 8.286 8.128 0.158 25961 3364 1 8 . 1 1 21 21 THR N N 21 119.387 119.387 115.179 4.208 25961 3365 1 8 . 1 1 21 21 THR HA H 21 4.764 4.764 4.199 0.565 25961 3366 1 8 . 1 1 21 21 THR CA C 21 61.953 61.953 63.722 -1.769 25961 3367 1 8 . 1 1 21 21 THR CB C 21 68.795 68.795 67.363 1.432 25961 3368 1 8 . 1 1 21 21 THR H H 21 8.626 8.626 8.232 0.394 25961 3369 1 8 . 1 1 22 22 THR N N 22 116.611 116.611 115.229 1.382 25961 3370 1 8 . 1 1 22 22 THR HA H 22 4.513 4.513 4.729 -0.216 25961 3371 1 8 . 1 1 22 22 THR CA C 22 58.918 58.918 59.372 -0.454 25961 3372 1 8 . 1 1 22 22 THR CB C 22 71.128 71.128 72.332 -1.204 25961 3373 1 8 . 1 1 22 22 THR H H 22 8.343 8.343 7.955 0.388 25961 3374 1 8 . 1 1 23 23 LEU N N 23 122.893 122.893 121.808 1.085 25961 3375 1 8 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.261 -0.329 25961 3376 1 8 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.912 -1.425 25961 3377 1 8 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.133 -2.868 25961 3378 1 8 . 1 1 23 23 LEU H H 23 9.157 9.157 8.570 0.587 25961 3379 1 8 . 1 1 24 24 SER N N 24 116.771 116.771 118.266 -1.495 25961 3380 1 8 . 1 1 24 24 SER HA H 24 5.173 5.173 4.701 0.472 25961 3381 1 8 . 1 1 24 24 SER CA C 24 55.247 55.247 58.041 -2.794 25961 3382 1 8 . 1 1 24 24 SER CB C 24 64.841 64.841 64.267 0.574 25961 3383 1 8 . 1 1 24 24 SER H H 24 8.656 8.656 8.050 0.606 25961 3384 1 8 . 1 1 25 25 ILE N N 25 122.747 122.747 122.904 -0.157 25961 3385 1 8 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.694 -0.663 25961 3386 1 8 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.024 2.246 25961 3387 1 8 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.274 -2.625 25961 3388 1 8 . 1 1 25 25 ILE H H 25 9.023 9.023 8.485 0.538 25961 3389 1 8 . 1 1 26 26 GLN N N 26 129.779 129.779 125.715 4.064 25961 3390 1 8 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.394 0.035 25961 3391 1 8 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.721 -2.134 25961 3392 1 8 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.176 0.100 25961 3393 1 8 . 1 1 26 26 GLN H H 26 9.093 9.093 8.436 0.657 25961 3394 1 8 . 1 1 27 27 GLU N N 27 118.722 118.722 117.817 0.905 25961 3395 1 8 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.763 0.201 25961 3396 1 8 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.956 0.066 25961 3397 1 8 . 1 1 27 27 GLU H H 27 7.479 7.479 8.059 -0.580 25961 3398 1 8 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.373 0.070 25961 3399 1 8 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.655 0.500 25961 3400 1 8 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.328 1.353 25961 3401 1 8 . 1 1 29 29 THR N N 29 124.459 124.459 118.560 5.899 25961 3402 1 8 . 1 1 29 29 THR HA H 29 4.183 4.183 4.349 -0.166 25961 3403 1 8 . 1 1 29 29 THR CA C 29 62.474 62.474 62.659 -0.185 25961 3404 1 8 . 1 1 29 29 THR CB C 29 68.811 68.811 69.170 -0.359 25961 3405 1 8 . 1 1 29 29 THR H H 29 8.009 8.009 8.484 -0.475 25961 3406 1 8 . 1 1 30 30 GLN N N 30 130.053 130.053 119.427 10.626 25961 3407 1 8 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.278 -0.756 25961 3408 1 8 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.977 0.909 25961 3409 1 8 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.220 -0.915 25961 3410 1 8 . 1 1 30 30 GLN H H 30 9.321 9.321 8.491 0.830 25961 3411 1 8 . 1 1 31 31 THR N N 31 111.234 111.234 107.500 3.734 25961 3412 1 8 . 1 1 31 31 THR HA H 31 5.509 5.509 4.439 1.071 25961 3413 1 8 . 1 1 31 31 THR CA C 31 58.798 58.798 61.501 -2.703 25961 3414 1 8 . 1 1 31 31 THR CB C 31 71.374 71.374 69.261 2.113 25961 3415 1 8 . 1 1 31 31 THR H H 31 7.630 7.630 7.769 -0.139 25961 3416 1 8 . 1 1 32 32 TYR N N 32 121.998 121.998 120.049 1.949 25961 3417 1 8 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.671 0.132 25961 3418 1 8 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.148 -2.349 25961 3419 1 8 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.047 -2.329 25961 3420 1 8 . 1 1 32 32 TYR H H 32 9.359 9.359 7.597 1.762 25961 3421 1 8 . 1 1 33 33 THR N N 33 114.039 114.039 115.128 -1.089 25961 3422 1 8 . 1 1 33 33 THR HA H 33 4.390 4.390 4.631 -0.241 25961 3423 1 8 . 1 1 33 33 THR CA C 33 59.896 59.896 61.608 -1.712 25961 3424 1 8 . 1 1 33 33 THR CB C 33 69.135 69.135 72.439 -3.304 25961 3425 1 8 . 1 1 33 33 THR H H 33 7.985 7.985 8.012 -0.027 25961 3426 1 8 . 1 1 34 34 GLY N N 34 113.445 113.445 108.858 4.587 25961 3427 1 8 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.731 -1.659 25961 3428 1 8 . 1 1 34 34 GLY H H 34 8.698 8.698 8.433 0.265 25961 3429 1 8 . 1 1 35 35 SER N N 35 113.837 113.837 116.325 -2.488 25961 3430 1 8 . 1 1 35 35 SER HA H 35 4.264 4.264 4.636 -0.371 25961 3431 1 8 . 1 1 35 35 SER CA C 35 57.651 57.651 57.205 0.446 25961 3432 1 8 . 1 1 35 35 SER CB C 35 63.056 63.056 64.174 -1.118 25961 3433 1 8 . 1 1 35 35 SER H H 35 8.039 8.039 8.057 -0.018 25961 3434 1 8 . 1 1 36 36 ASN N N 36 119.749 119.749 122.479 -2.730 25961 3435 1 8 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.459 0.125 25961 3436 1 8 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.091 -1.310 25961 3437 1 8 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.123 -0.937 25961 3438 1 8 . 1 1 36 36 ASN H H 36 8.767 8.767 9.081 -0.314 25961 3439 1 8 . 1 1 37 37 GLY N N 37 110.628 110.628 104.532 6.096 25961 3440 1 8 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.048 -0.463 25961 3441 1 8 . 1 1 37 37 GLY H H 37 8.496 8.496 7.946 0.550 25961 3442 1 8 . 1 1 38 38 GLY N N 38 108.654 108.654 109.260 -0.606 25961 3443 1 8 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.132 -1.032 25961 3444 1 8 . 1 1 38 38 GLY H H 38 7.955 7.955 8.001 -0.046 25961 3445 1 8 . 1 1 39 39 ALA N N 39 123.326 123.326 124.319 -0.993 25961 3446 1 8 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.331 -0.120 25961 3447 1 8 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.874 -1.036 25961 3448 1 8 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.713 -1.984 25961 3449 1 8 . 1 1 39 39 ALA H H 39 8.028 8.028 7.769 0.259 25961 3450 1 8 . 1 1 40 40 ASP N N 40 119.573 119.573 120.736 -1.163 25961 3451 1 8 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.585 -0.198 25961 3452 1 8 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.655 0.339 25961 3453 1 8 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.786 -1.159 25961 3454 1 8 . 1 1 40 40 ASP H H 40 8.261 8.261 8.197 0.064 25961 3455 1 8 . 1 1 41 41 LEU N N 41 123.899 123.899 122.748 1.151 25961 3456 1 8 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.341 0.101 25961 3457 1 8 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.461 -2.240 25961 3458 1 8 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.434 -2.425 25961 3459 1 8 . 1 1 41 41 LEU H H 41 8.663 8.663 7.873 0.790 25961 3460 1 8 . 1 1 42 42 MET N N 42 119.684 119.684 119.378 0.306 25961 3461 1 8 . 1 1 42 42 MET HA H 42 4.730 4.730 4.792 -0.062 25961 3462 1 8 . 1 1 42 42 MET CA C 42 54.695 54.695 55.272 -0.577 25961 3463 1 8 . 1 1 42 42 MET CB C 42 32.194 32.194 33.233 -1.039 25961 3464 1 8 . 1 1 42 42 MET H H 42 8.553 8.553 8.264 0.289 25961 3465 1 8 . 1 1 43 43 GLY N N 43 113.052 113.052 111.246 1.806 25961 3466 1 8 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.483 -3.105 25961 3467 1 8 . 1 1 43 43 GLY H H 43 8.618 8.618 8.708 -0.090 25961 3468 1 8 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.483 0.237 25961 3469 1 8 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.619 -3.388 25961 3470 1 8 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.567 0.386 25961 3471 1 8 . 1 1 45 45 ALA N N 45 120.693 120.693 121.793 -1.100 25961 3472 1 8 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.221 -0.237 25961 3473 1 8 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.261 -0.457 25961 3474 1 8 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.614 -0.648 25961 3475 1 8 . 1 1 45 45 ALA H H 45 7.524 7.524 8.036 -0.512 25961 3476 1 8 . 1 1 46 46 PHE N N 46 122.306 122.306 119.327 2.979 25961 3477 1 8 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.141 -0.179 25961 3478 1 8 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.867 0.459 25961 3479 1 8 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.344 -0.724 25961 3480 1 8 . 1 1 46 46 PHE H H 46 8.603 8.603 8.250 0.353 25961 3481 1 8 . 1 1 47 47 ALA N N 47 123.253 123.253 120.891 2.362 25961 3482 1 8 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.023 0.065 25961 3483 1 8 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.228 -0.277 25961 3484 1 8 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.222 -0.575 25961 3485 1 8 . 1 1 47 47 ALA H H 47 9.199 9.199 7.800 1.399 25961 3486 1 8 . 1 1 48 48 ALA N N 48 117.571 117.571 118.977 -1.406 25961 3487 1 8 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.347 -0.044 25961 3488 1 8 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.677 0.010 25961 3489 1 8 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.422 -1.650 25961 3490 1 8 . 1 1 48 48 ALA H H 48 7.262 7.262 7.306 -0.044 25961 3491 1 8 . 1 1 49 49 GLY N N 49 103.229 103.229 107.844 -4.615 25961 3492 1 8 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.829 -1.210 25961 3493 1 8 . 1 1 49 49 GLY H H 49 7.461 7.461 7.698 -0.237 25961 3494 1 8 . 1 1 50 50 LEU N N 50 120.470 120.470 121.205 -0.735 25961 3495 1 8 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.061 -0.543 25961 3496 1 8 . 1 1 50 50 LEU CA C 50 54.412 54.412 56.151 -1.739 25961 3497 1 8 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.965 -0.010 25961 3498 1 8 . 1 1 50 50 LEU H H 50 7.224 7.224 7.515 -0.291 25961 3499 1 8 . 1 1 51 51 ARG N N 51 119.645 119.645 124.030 -4.385 25961 3500 1 8 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.221 -0.730 25961 3501 1 8 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.961 -1.145 25961 3502 1 8 . 1 1 51 51 ARG H H 51 8.678 8.678 8.728 -0.050 25961 3503 1 8 . 1 1 52 52 VAL N N 52 119.995 119.995 118.728 1.267 25961 3504 1 8 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.909 -0.686 25961 3505 1 8 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.187 1.031 25961 3506 1 8 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.593 -0.445 25961 3507 1 8 . 1 1 52 52 VAL H H 52 8.482 8.482 8.341 0.141 25961 3508 1 8 . 1 1 53 53 GLY N N 53 117.052 117.052 117.254 -0.202 25961 3509 1 8 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.979 -1.554 25961 3510 1 8 . 1 1 53 53 GLY H H 53 9.122 9.122 8.832 0.290 25961 3511 1 8 . 1 1 54 54 ASP N N 54 124.203 124.203 124.530 -0.327 25961 3512 1 8 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.580 0.253 25961 3513 1 8 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.073 0.661 25961 3514 1 8 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.052 -0.773 25961 3515 1 8 . 1 1 54 54 ASP H H 54 7.848 7.848 7.992 -0.144 25961 3516 1 8 . 1 1 55 55 GLN N N 55 121.703 121.703 120.256 1.447 25961 3517 1 8 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.695 0.172 25961 3518 1 8 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.588 -2.062 25961 3519 1 8 . 1 1 55 55 GLN CB C 55 29.032 29.032 31.247 -2.215 25961 3520 1 8 . 1 1 55 55 GLN H H 55 9.158 9.158 7.957 1.201 25961 3521 1 8 . 1 1 56 56 LEU N N 56 124.733 124.733 124.177 0.556 25961 3522 1 8 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.348 -0.161 25961 3523 1 8 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.682 0.513 25961 3524 1 8 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.244 -0.231 25961 3525 1 8 . 1 1 56 56 LEU H H 56 8.770 8.770 8.847 -0.077 25961 3526 1 8 . 1 1 57 57 VAL N N 57 123.383 123.383 124.417 -1.034 25961 3527 1 8 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.366 -0.058 25961 3528 1 8 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.428 1.715 25961 3529 1 8 . 1 1 57 57 VAL CB C 57 32.635 32.635 34.400 -1.765 25961 3530 1 8 . 1 1 57 57 VAL H H 57 8.889 8.889 7.922 0.967 25961 3531 1 8 . 1 1 58 58 ARG N N 58 118.094 118.094 119.659 -1.565 25961 3532 1 8 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.973 1.365 25961 3533 1 8 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.478 -3.266 25961 3534 1 8 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.841 5.772 25961 3535 1 8 . 1 1 58 58 ARG H H 58 8.531 8.531 7.558 0.973 25961 3536 1 8 . 1 1 59 59 PHE N N 59 123.332 123.332 116.988 6.344 25961 3537 1 8 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.548 0.387 25961 3538 1 8 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.566 0.290 25961 3539 1 8 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.277 0.694 25961 3540 1 8 . 1 1 59 59 PHE H H 59 9.295 9.295 7.541 1.754 25961 3541 1 8 . 1 1 60 60 ALA N N 60 127.537 127.537 126.828 0.709 25961 3542 1 8 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.976 -0.389 25961 3543 1 8 . 1 1 60 60 ALA CA C 60 52.374 52.374 51.955 0.419 25961 3544 1 8 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.426 -1.953 25961 3545 1 8 . 1 1 60 60 ALA H H 60 8.356 8.356 7.714 0.642 25961 3546 1 8 . 1 1 61 61 GLY N N 61 103.058 103.058 111.752 -8.694 25961 3547 1 8 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.908 -1.121 25961 3548 1 8 . 1 1 61 61 GLY H H 61 9.178 9.178 7.677 1.501 25961 3549 1 8 . 1 1 62 62 TYR N N 62 120.218 120.218 117.380 2.838 25961 3550 1 8 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.119 0.511 25961 3551 1 8 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.631 -2.054 25961 3552 1 8 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.235 3.657 25961 3553 1 8 . 1 1 62 62 TYR H H 62 7.888 7.888 7.464 0.424 25961 3554 1 8 . 1 1 63 63 THR N N 63 120.933 120.933 113.702 7.231 25961 3555 1 8 . 1 1 63 63 THR HA H 63 4.479 4.479 5.153 -0.674 25961 3556 1 8 . 1 1 63 63 THR CA C 63 62.851 62.851 60.959 1.892 25961 3557 1 8 . 1 1 63 63 THR CB C 63 67.848 67.848 71.254 -3.406 25961 3558 1 8 . 1 1 63 63 THR H H 63 9.108 9.108 7.787 1.321 25961 3559 1 8 . 1 1 64 64 VAL N N 64 121.039 121.039 126.829 -5.790 25961 3560 1 8 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.425 0.174 25961 3561 1 8 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.047 -2.180 25961 3562 1 8 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.995 -1.991 25961 3563 1 8 . 1 1 64 64 VAL H H 64 7.782 7.782 8.127 -0.345 25961 3564 1 8 . 1 1 65 65 THR N N 65 114.373 114.373 116.694 -2.321 25961 3565 1 8 . 1 1 65 65 THR HA H 65 4.452 4.452 4.415 0.037 25961 3566 1 8 . 1 1 65 65 THR CA C 65 60.536 60.536 63.093 -2.557 25961 3567 1 8 . 1 1 65 65 THR CB C 65 69.037 69.037 69.648 -0.611 25961 3568 1 8 . 1 1 65 65 THR H H 65 9.053 9.053 8.227 0.826 25961 3569 1 8 . 1 1 66 66 GLU N N 66 115.766 115.766 117.905 -2.139 25961 3570 1 8 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.421 0.142 25961 3571 1 8 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.901 -2.514 25961 3572 1 8 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.235 1.330 25961 3573 1 8 . 1 1 66 66 GLU H H 66 7.345 7.345 7.724 -0.379 25961 3574 1 8 . 1 1 67 67 LEU N N 67 124.674 124.674 117.627 7.047 25961 3575 1 8 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.364 -0.430 25961 3576 1 8 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.634 -0.099 25961 3577 1 8 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.332 -0.279 25961 3578 1 8 . 1 1 67 67 LEU H H 67 8.906 8.906 8.609 0.297 25961 3579 1 8 . 1 1 68 68 ALA N N 68 120.493 120.493 121.511 -1.018 25961 3580 1 8 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.069 0.067 25961 3581 1 8 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.909 -0.235 25961 3582 1 8 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.852 -1.331 25961 3583 1 8 . 1 1 68 68 ALA H H 68 9.022 9.022 8.220 0.802 25961 3584 1 8 . 1 1 69 69 ALA N N 69 119.695 119.695 121.883 -2.188 25961 3585 1 8 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.159 0.003 25961 3586 1 8 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.508 -0.488 25961 3587 1 8 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.523 -0.860 25961 3588 1 8 . 1 1 69 69 ALA H H 69 7.258 7.258 7.601 -0.343 25961 3589 1 8 . 1 1 70 70 PHE N N 70 119.274 119.274 119.297 -0.023 25961 3590 1 8 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.171 -0.212 25961 3591 1 8 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.143 -0.183 25961 3592 1 8 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.702 -1.270 25961 3593 1 8 . 1 1 70 70 PHE H H 70 7.769 7.769 7.937 -0.168 25961 3594 1 8 . 1 1 71 71 ASN N N 71 117.363 117.363 117.514 -0.151 25961 3595 1 8 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.388 -0.286 25961 3596 1 8 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.987 -2.290 25961 3597 1 8 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.526 -2.453 25961 3598 1 8 . 1 1 71 71 ASN H H 71 8.801 8.801 8.102 0.699 25961 3599 1 8 . 1 1 72 72 THR N N 72 119.746 119.746 115.488 4.258 25961 3600 1 8 . 1 1 72 72 THR HA H 72 4.220 4.220 4.109 0.111 25961 3601 1 8 . 1 1 72 72 THR CA C 72 65.927 65.927 65.722 0.205 25961 3602 1 8 . 1 1 72 72 THR CB C 72 67.600 67.600 68.441 -0.841 25961 3603 1 8 . 1 1 72 72 THR H H 72 8.109 8.109 7.322 0.787 25961 3604 1 8 . 1 1 73 73 VAL N N 73 123.156 123.156 121.896 1.260 25961 3605 1 8 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.745 -0.290 25961 3606 1 8 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.138 0.019 25961 3607 1 8 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.262 -0.926 25961 3608 1 8 . 1 1 73 73 VAL H H 73 7.744 7.744 7.338 0.406 25961 3609 1 8 . 1 1 74 74 VAL N N 74 120.420 120.420 120.072 0.348 25961 3610 1 8 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.442 -0.076 25961 3611 1 8 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.653 -0.055 25961 3612 1 8 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.030 -0.545 25961 3613 1 8 . 1 1 74 74 VAL H H 74 8.154 8.154 8.124 0.030 25961 3614 1 8 . 1 1 75 75 ALA N N 75 120.206 120.206 123.207 -3.001 25961 3615 1 8 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.085 -0.090 25961 3616 1 8 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.197 -1.198 25961 3617 1 8 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.179 -1.215 25961 3618 1 8 . 1 1 75 75 ALA H H 75 7.788 7.788 7.590 0.198 25961 3619 1 8 . 1 1 76 76 ARG N N 76 114.701 114.701 114.983 -0.282 25961 3620 1 8 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.249 -0.164 25961 3621 1 8 . 1 1 76 76 ARG CA C 76 56.982 56.982 56.788 0.194 25961 3622 1 8 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.631 1.053 25961 3623 1 8 . 1 1 76 76 ARG H H 76 7.705 7.705 7.685 0.020 25961 3624 1 8 . 1 1 77 77 HIS N N 77 112.695 112.695 118.527 -5.832 25961 3625 1 8 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.392 0.418 25961 3626 1 8 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.864 -1.703 25961 3627 1 8 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.964 0.069 25961 3628 1 8 . 1 1 77 77 HIS H H 77 8.123 8.123 7.966 0.157 25961 3629 1 8 . 1 1 78 78 VAL N N 78 119.219 119.219 117.671 1.548 25961 3630 1 8 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.927 -0.034 25961 3631 1 8 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.066 -0.501 25961 3632 1 8 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.337 -1.208 25961 3633 1 8 . 1 1 78 78 VAL H H 78 8.034 8.034 8.016 0.018 25961 3634 1 8 . 1 1 79 79 ARG N N 79 126.908 126.908 126.113 0.795 25961 3635 1 8 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.935 -1.574 25961 3636 1 8 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.887 -3.696 25961 3637 1 8 . 1 1 79 79 ARG H H 79 7.023 7.023 8.390 -1.367 25961 3638 1 8 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.524 -0.499 25961 3639 1 8 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.677 -0.107 25961 3640 1 8 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.078 0.134 25961 3641 1 8 . 1 1 81 81 SER N N 81 115.039 115.039 115.886 -0.847 25961 3642 1 8 . 1 1 81 81 SER HA H 81 4.047 4.047 4.019 0.028 25961 3643 1 8 . 1 1 81 81 SER CA C 81 60.713 60.713 59.384 1.329 25961 3644 1 8 . 1 1 81 81 SER H H 81 8.210 8.210 8.471 -0.261 25961 3645 1 8 . 1 1 82 82 ALA N N 82 123.546 123.546 123.840 -0.294 25961 3646 1 8 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.432 -0.086 25961 3647 1 8 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.342 0.164 25961 3648 1 8 . 1 1 82 82 ALA CB C 82 19.095 19.095 18.984 0.111 25961 3649 1 8 . 1 1 82 82 ALA H H 82 7.770 7.770 7.492 0.278 25961 3650 1 8 . 1 1 83 83 SER N N 83 116.753 116.753 120.260 -3.507 25961 3651 1 8 . 1 1 83 83 SER HA H 83 5.129 5.129 4.704 0.425 25961 3652 1 8 . 1 1 83 83 SER CA C 83 56.582 56.582 58.291 -1.709 25961 3653 1 8 . 1 1 83 83 SER CB C 83 62.554 62.554 63.690 -1.136 25961 3654 1 8 . 1 1 83 83 SER H H 83 8.524 8.524 8.471 0.053 25961 3655 1 8 . 1 1 84 84 ILE N N 84 126.985 126.985 126.314 0.671 25961 3656 1 8 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.769 -2.983 25961 3657 1 8 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.321 -2.897 25961 3658 1 8 . 1 1 84 84 ILE H H 84 9.599 9.599 8.108 1.491 25961 3659 1 8 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.543 0.402 25961 3660 1 8 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.667 -1.113 25961 3661 1 8 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.326 0.101 25961 3662 1 8 . 1 1 86 86 VAL N N 86 123.811 123.811 124.058 -0.247 25961 3663 1 8 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.295 0.554 25961 3664 1 8 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.731 -0.958 25961 3665 1 8 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.145 -0.501 25961 3666 1 8 . 1 1 86 86 VAL H H 86 9.033 9.033 8.082 0.951 25961 3667 1 8 . 1 1 87 87 VAL N N 87 127.839 127.839 123.946 3.893 25961 3668 1 8 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.206 0.766 25961 3669 1 8 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.369 -1.676 25961 3670 1 8 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.528 0.890 25961 3671 1 8 . 1 1 87 87 VAL H H 87 9.132 9.132 8.472 0.660 25961 3672 1 8 . 1 1 88 88 PHE N N 88 127.301 127.301 127.748 -0.447 25961 3673 1 8 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.234 0.384 25961 3674 1 8 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.711 -2.500 25961 3675 1 8 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.227 -2.224 25961 3676 1 8 . 1 1 88 88 PHE H H 88 9.248 9.248 8.294 0.954 25961 3677 1 8 . 1 1 89 89 SER N N 89 113.734 113.734 114.985 -1.251 25961 3678 1 8 . 1 1 89 89 SER HA H 89 5.336 5.336 5.345 -0.009 25961 3679 1 8 . 1 1 89 89 SER CA C 89 54.452 54.452 57.347 -2.895 25961 3680 1 8 . 1 1 89 89 SER CB C 89 64.474 64.474 66.332 -1.858 25961 3681 1 8 . 1 1 89 89 SER H H 89 9.689 9.689 8.354 1.335 25961 3682 1 8 . 1 1 90 90 ARG N N 90 128.114 128.114 124.990 3.124 25961 3683 1 8 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.612 0.135 25961 3684 1 8 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.592 -1.470 25961 3685 1 8 . 1 1 90 90 ARG CB C 90 32.336 32.336 32.322 0.014 25961 3686 1 8 . 1 1 90 90 ARG H H 90 8.561 8.561 8.093 0.468 25961 3687 1 8 . 1 1 91 91 ASP N N 91 129.790 129.790 123.420 6.370 25961 3688 1 8 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.305 -0.036 25961 3689 1 8 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.338 -0.837 25961 3690 1 8 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.650 -0.569 25961 3691 1 8 . 1 1 91 91 ASP H H 91 9.461 9.461 9.370 0.091 25961 3692 1 8 . 1 1 92 92 GLY N N 92 102.404 102.404 102.505 -0.101 25961 3693 1 8 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.825 -0.520 25961 3694 1 8 . 1 1 92 92 GLY H H 92 8.391 8.391 8.392 -0.001 25961 3695 1 8 . 1 1 93 93 VAL N N 93 123.090 123.090 120.858 2.232 25961 3696 1 8 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.825 0.177 25961 3697 1 8 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.247 -1.981 25961 3698 1 8 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.693 -0.875 25961 3699 1 8 . 1 1 93 93 VAL H H 93 7.682 7.682 7.441 0.241 25961 3700 1 8 . 1 1 94 94 VAL N N 94 128.414 128.414 127.287 1.127 25961 3701 1 8 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.146 -0.012 25961 3702 1 8 . 1 1 94 94 VAL CA C 94 62.340 62.340 62.353 -0.013 25961 3703 1 8 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.146 -2.030 25961 3704 1 8 . 1 1 94 94 VAL H H 94 8.400 8.400 8.412 -0.012 25961 3705 1 8 . 1 1 95 95 MET N N 95 129.196 129.196 129.352 -0.156 25961 3706 1 8 . 1 1 95 95 MET HA H 95 4.352 4.352 4.989 -0.637 25961 3707 1 8 . 1 1 95 95 MET CA C 95 53.674 53.674 54.457 -0.783 25961 3708 1 8 . 1 1 95 95 MET CB C 95 36.104 36.104 37.244 -1.140 25961 3709 1 8 . 1 1 95 95 MET H H 95 9.100 9.100 8.568 0.532 25961 3710 1 8 . 1 1 96 96 SER N N 96 111.540 111.540 116.469 -4.929 25961 3711 1 8 . 1 1 96 96 SER HA H 96 5.469 5.469 5.047 0.422 25961 3712 1 8 . 1 1 96 96 SER CA C 96 55.830 55.830 57.423 -1.593 25961 3713 1 8 . 1 1 96 96 SER CB C 96 65.471 65.471 65.484 -0.013 25961 3714 1 8 . 1 1 96 96 SER H H 96 8.004 8.004 8.418 -0.414 25961 3715 1 8 . 1 1 97 97 ALA N N 97 124.079 124.079 129.374 -5.295 25961 3716 1 8 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.772 0.016 25961 3717 1 8 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.037 -1.638 25961 3718 1 8 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.042 0.502 25961 3719 1 8 . 1 1 97 97 ALA H H 97 9.145 9.145 8.422 0.723 25961 3720 1 8 . 1 1 98 98 THR N N 98 117.342 117.342 118.021 -0.679 25961 3721 1 8 . 1 1 98 98 THR HA H 98 4.823 4.823 4.500 0.323 25961 3722 1 8 . 1 1 98 98 THR CA C 98 61.053 61.053 62.362 -1.309 25961 3723 1 8 . 1 1 98 98 THR CB C 98 69.913 69.913 68.815 1.098 25961 3724 1 8 . 1 1 98 98 THR H H 98 8.754 8.754 8.405 0.349 25961 3725 1 8 . 1 1 99 99 ILE N N 99 125.689 125.689 124.165 1.524 25961 3726 1 8 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.635 -0.524 25961 3727 1 8 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.479 -1.110 25961 3728 1 8 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.378 -0.687 25961 3729 1 8 . 1 1 99 99 ILE H H 99 8.868 8.868 8.027 0.841 25961 3730 1 8 . 1 1 100 100 VAL N N 100 129.871 129.871 126.976 2.895 25961 3731 1 8 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.240 0.426 25961 3732 1 8 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.883 -1.016 25961 3733 1 8 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.356 -2.746 25961 3734 1 8 . 1 1 100 100 VAL H H 100 8.818 8.818 8.537 0.281 25961 3735 1 8 . 1 1 101 101 VAL N N 101 128.299 128.299 128.874 -0.575 25961 3736 1 8 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.312 -0.943 25961 3737 1 8 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.676 3.651 25961 3738 1 8 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.673 -0.699 25961 3739 1 8 . 1 1 101 101 VAL H H 101 8.795 8.795 8.059 0.736 25961 3740 1 8 . 1 1 102 102 GLY N N 102 115.466 115.466 114.193 1.273 25961 3741 1 8 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.328 -0.648 25961 3742 1 8 . 1 1 102 102 GLY H H 102 8.393 8.393 8.272 0.121 25961 3743 1 8 . 1 1 103 103 GLU N N 103 119.459 119.459 125.208 -5.749 25961 3744 1 8 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.308 0.647 25961 3745 1 8 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.249 -2.503 25961 3746 1 8 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.397 1.804 25961 3747 1 8 . 1 1 103 103 GLU H H 103 8.386 8.386 8.316 0.070 25961 3748 1 8 . 1 1 104 104 LEU N N 104 123.881 123.881 119.629 4.252 25961 3749 1 8 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.597 0.103 25961 3750 1 8 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.684 -1.117 25961 3751 1 8 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.460 1.598 25961 3752 1 8 . 1 1 104 104 LEU H H 104 8.735 8.735 7.767 0.968 25961 3753 1 9 . 1 1 2 2 LEU N N 2 122.611 122.611 118.365 4.246 25961 3754 1 9 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.728 -0.336 25961 3755 1 9 . 1 1 2 2 LEU CA C 2 54.332 54.332 56.045 -1.713 25961 3756 1 9 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.340 -3.023 25961 3757 1 9 . 1 1 2 2 LEU H H 2 8.535 8.535 8.369 0.166 25961 3758 1 9 . 1 1 3 3 THR N N 3 112.475 112.475 114.698 -2.223 25961 3759 1 9 . 1 1 3 3 THR HA H 3 4.777 4.777 4.632 0.145 25961 3760 1 9 . 1 1 3 3 THR CA C 3 59.259 59.259 60.307 -1.048 25961 3761 1 9 . 1 1 3 3 THR CB C 3 70.185 70.185 70.787 -0.602 25961 3762 1 9 . 1 1 3 3 THR H H 3 7.903 7.903 8.342 -0.439 25961 3763 1 9 . 1 1 4 4 ARG N N 4 120.183 120.183 122.527 -2.344 25961 3764 1 9 . 1 1 4 4 ARG H H 4 8.809 8.809 8.737 0.072 25961 3765 1 9 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.489 -0.117 25961 3766 1 9 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.455 1.562 25961 3767 1 9 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.201 1.387 25961 3768 1 9 . 1 1 6 6 TYR N N 6 120.727 120.727 123.220 -2.493 25961 3769 1 9 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.679 -0.045 25961 3770 1 9 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.419 -1.343 25961 3771 1 9 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.917 -0.863 25961 3772 1 9 . 1 1 6 6 TYR H H 6 7.530 7.530 8.110 -0.580 25961 3773 1 9 . 1 1 7 7 LEU N N 7 126.575 126.575 121.903 4.672 25961 3774 1 9 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.155 -0.748 25961 3775 1 9 . 1 1 7 7 LEU H H 7 8.500 8.500 8.421 0.079 25961 3776 1 9 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.095 0.612 25961 3777 1 9 . 1 1 9 9 PHE N N 9 114.612 114.612 116.643 -2.031 25961 3778 1 9 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.813 0.545 25961 3779 1 9 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.585 -0.323 25961 3780 1 9 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.536 -1.082 25961 3781 1 9 . 1 1 9 9 PHE H H 9 7.102 7.102 7.526 -0.424 25961 3782 1 9 . 1 1 10 10 ARG N N 10 117.800 117.800 120.331 -2.531 25961 3783 1 9 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.487 0.184 25961 3784 1 9 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.712 -1.313 25961 3785 1 9 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.866 0.949 25961 3786 1 9 . 1 1 10 10 ARG H H 10 8.206 8.206 8.461 -0.255 25961 3787 1 9 . 1 1 11 11 VAL N N 11 117.216 117.216 121.537 -4.321 25961 3788 1 9 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.933 0.234 25961 3789 1 9 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.084 -1.894 25961 3790 1 9 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.856 -0.981 25961 3791 1 9 . 1 1 11 11 VAL H H 11 8.601 8.601 8.368 0.233 25961 3792 1 9 . 1 1 12 12 ALA N N 12 123.025 123.025 131.450 -8.425 25961 3793 1 9 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.829 -0.249 25961 3794 1 9 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.818 -1.274 25961 3795 1 9 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.959 0.823 25961 3796 1 9 . 1 1 12 12 ALA H H 12 8.861 8.861 8.179 0.682 25961 3797 1 9 . 1 1 13 13 VAL N N 13 121.395 121.395 124.259 -2.864 25961 3798 1 9 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.036 0.515 25961 3799 1 9 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.305 -1.022 25961 3800 1 9 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.382 -0.688 25961 3801 1 9 . 1 1 13 13 VAL H H 13 8.585 8.585 8.713 -0.128 25961 3802 1 9 . 1 1 14 14 GLY N N 14 117.546 117.546 115.730 1.816 25961 3803 1 9 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.138 -1.754 25961 3804 1 9 . 1 1 14 14 GLY H H 14 8.789 8.789 7.988 0.801 25961 3805 1 9 . 1 1 15 15 ARG N N 15 120.075 120.075 120.715 -0.640 25961 3806 1 9 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.729 0.381 25961 3807 1 9 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.087 -1.194 25961 3808 1 9 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.520 0.236 25961 3809 1 9 . 1 1 15 15 ARG H H 15 8.299 8.299 8.324 -0.025 25961 3810 1 9 . 1 1 16 16 ASP N N 16 123.872 123.872 121.335 2.537 25961 3811 1 9 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.779 -0.034 25961 3812 1 9 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.794 -1.423 25961 3813 1 9 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.871 -1.119 25961 3814 1 9 . 1 1 16 16 ASP H H 16 8.619 8.619 8.487 0.132 25961 3815 1 9 . 1 1 17 17 SER N N 17 114.309 114.309 114.405 -0.096 25961 3816 1 9 . 1 1 17 17 SER HA H 17 4.196 4.196 4.289 -0.093 25961 3817 1 9 . 1 1 17 17 SER CA C 17 59.950 59.950 60.297 -0.347 25961 3818 1 9 . 1 1 17 17 SER CB C 17 61.825 61.825 63.363 -1.538 25961 3819 1 9 . 1 1 17 17 SER H H 17 8.624 8.624 8.305 0.319 25961 3820 1 9 . 1 1 18 18 SER N N 18 117.903 117.903 116.104 1.799 25961 3821 1 9 . 1 1 18 18 SER HA H 18 4.597 4.597 4.421 0.176 25961 3822 1 9 . 1 1 18 18 SER CA C 18 57.732 57.732 58.967 -1.234 25961 3823 1 9 . 1 1 18 18 SER CB C 18 63.470 63.470 64.592 -1.122 25961 3824 1 9 . 1 1 18 18 SER H H 18 8.385 8.385 7.795 0.591 25961 3825 1 9 . 1 1 19 19 GLY N N 19 109.883 109.883 109.299 0.584 25961 3826 1 9 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.898 -0.727 25961 3827 1 9 . 1 1 19 19 GLY H H 19 8.214 8.214 8.881 -0.667 25961 3828 1 9 . 1 1 20 20 CYS N N 20 122.167 122.167 119.418 2.749 25961 3829 1 9 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.805 -0.317 25961 3830 1 9 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.400 -0.363 25961 3831 1 9 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.080 -1.395 25961 3832 1 9 . 1 1 20 20 CYS H H 20 8.286 8.286 8.457 -0.171 25961 3833 1 9 . 1 1 21 21 THR N N 21 119.387 119.387 115.858 3.529 25961 3834 1 9 . 1 1 21 21 THR HA H 21 4.764 4.764 3.946 0.818 25961 3835 1 9 . 1 1 21 21 THR CA C 21 61.953 61.953 63.236 -1.283 25961 3836 1 9 . 1 1 21 21 THR CB C 21 68.795 68.795 68.008 0.786 25961 3837 1 9 . 1 1 21 21 THR H H 21 8.626 8.626 7.917 0.709 25961 3838 1 9 . 1 1 22 22 THR N N 22 116.611 116.611 116.040 0.571 25961 3839 1 9 . 1 1 22 22 THR HA H 22 4.513 4.513 4.834 -0.321 25961 3840 1 9 . 1 1 22 22 THR CA C 22 58.918 58.918 59.846 -0.928 25961 3841 1 9 . 1 1 22 22 THR CB C 22 71.128 71.128 71.235 -0.107 25961 3842 1 9 . 1 1 22 22 THR H H 22 8.343 8.343 8.015 0.328 25961 3843 1 9 . 1 1 23 23 LEU N N 23 122.893 122.893 124.399 -1.506 25961 3844 1 9 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.904 0.028 25961 3845 1 9 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.814 -1.327 25961 3846 1 9 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.719 -2.454 25961 3847 1 9 . 1 1 23 23 LEU H H 23 9.157 9.157 8.726 0.431 25961 3848 1 9 . 1 1 24 24 SER N N 24 116.771 116.771 114.098 2.673 25961 3849 1 9 . 1 1 24 24 SER HA H 24 5.173 5.173 4.773 0.400 25961 3850 1 9 . 1 1 24 24 SER CA C 24 55.247 55.247 56.513 -1.266 25961 3851 1 9 . 1 1 24 24 SER CB C 24 64.841 64.841 65.111 -0.270 25961 3852 1 9 . 1 1 24 24 SER H H 24 8.656 8.656 7.990 0.666 25961 3853 1 9 . 1 1 25 25 ILE N N 25 122.747 122.747 123.990 -1.243 25961 3854 1 9 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.477 -0.446 25961 3855 1 9 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.514 0.756 25961 3856 1 9 . 1 1 25 25 ILE CB C 25 34.649 34.649 39.794 -5.144 25961 3857 1 9 . 1 1 25 25 ILE H H 25 9.023 9.023 8.447 0.576 25961 3858 1 9 . 1 1 26 26 GLN N N 26 129.779 129.779 126.522 3.257 25961 3859 1 9 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.438 -0.009 25961 3860 1 9 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.139 -2.551 25961 3861 1 9 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.275 0.001 25961 3862 1 9 . 1 1 26 26 GLN H H 26 9.093 9.093 8.611 0.482 25961 3863 1 9 . 1 1 27 27 GLU N N 27 118.722 118.722 118.091 0.631 25961 3864 1 9 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.930 0.034 25961 3865 1 9 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.062 -0.041 25961 3866 1 9 . 1 1 27 27 GLU H H 27 7.479 7.479 7.831 -0.352 25961 3867 1 9 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.338 0.105 25961 3868 1 9 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.691 -0.536 25961 3869 1 9 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.656 1.024 25961 3870 1 9 . 1 1 29 29 THR N N 29 124.459 124.459 119.292 5.167 25961 3871 1 9 . 1 1 29 29 THR HA H 29 4.183 4.183 4.417 -0.234 25961 3872 1 9 . 1 1 29 29 THR CA C 29 62.474 62.474 62.567 -0.093 25961 3873 1 9 . 1 1 29 29 THR CB C 29 68.811 68.811 69.004 -0.193 25961 3874 1 9 . 1 1 29 29 THR H H 29 8.009 8.009 8.566 -0.557 25961 3875 1 9 . 1 1 30 30 GLN N N 30 130.053 130.053 119.828 10.225 25961 3876 1 9 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.431 -0.909 25961 3877 1 9 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.752 2.134 25961 3878 1 9 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.442 -1.137 25961 3879 1 9 . 1 1 30 30 GLN H H 30 9.321 9.321 8.691 0.630 25961 3880 1 9 . 1 1 31 31 THR N N 31 111.234 111.234 107.258 3.976 25961 3881 1 9 . 1 1 31 31 THR HA H 31 5.509 5.509 4.582 0.927 25961 3882 1 9 . 1 1 31 31 THR CA C 31 58.798 58.798 60.953 -2.155 25961 3883 1 9 . 1 1 31 31 THR CB C 31 71.374 71.374 68.850 2.523 25961 3884 1 9 . 1 1 31 31 THR H H 31 7.630 7.630 7.723 -0.093 25961 3885 1 9 . 1 1 32 32 TYR N N 32 121.998 121.998 121.679 0.319 25961 3886 1 9 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.748 0.055 25961 3887 1 9 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.327 -2.528 25961 3888 1 9 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.322 -1.603 25961 3889 1 9 . 1 1 32 32 TYR H H 32 9.359 9.359 7.433 1.926 25961 3890 1 9 . 1 1 33 33 THR N N 33 114.039 114.039 117.336 -3.297 25961 3891 1 9 . 1 1 33 33 THR HA H 33 4.390 4.390 4.284 0.106 25961 3892 1 9 . 1 1 33 33 THR CA C 33 59.896 59.896 60.981 -1.085 25961 3893 1 9 . 1 1 33 33 THR CB C 33 69.135 69.135 71.557 -2.422 25961 3894 1 9 . 1 1 33 33 THR H H 33 7.985 7.985 7.258 0.727 25961 3895 1 9 . 1 1 34 34 GLY N N 34 113.445 113.445 108.644 4.801 25961 3896 1 9 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.737 -1.665 25961 3897 1 9 . 1 1 34 34 GLY H H 34 8.698 8.698 8.201 0.497 25961 3898 1 9 . 1 1 35 35 SER N N 35 113.837 113.837 116.802 -2.965 25961 3899 1 9 . 1 1 35 35 SER HA H 35 4.264 4.264 4.550 -0.286 25961 3900 1 9 . 1 1 35 35 SER CA C 35 57.651 57.651 56.885 0.766 25961 3901 1 9 . 1 1 35 35 SER CB C 35 63.056 63.056 64.324 -1.268 25961 3902 1 9 . 1 1 35 35 SER H H 35 8.039 8.039 7.675 0.364 25961 3903 1 9 . 1 1 36 36 ASN N N 36 119.749 119.749 122.438 -2.689 25961 3904 1 9 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.370 0.214 25961 3905 1 9 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.025 -1.244 25961 3906 1 9 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.071 -0.885 25961 3907 1 9 . 1 1 36 36 ASN H H 36 8.767 8.767 9.074 -0.307 25961 3908 1 9 . 1 1 37 37 GLY N N 37 110.628 110.628 103.398 7.230 25961 3909 1 9 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.276 -0.691 25961 3910 1 9 . 1 1 37 37 GLY H H 37 8.496 8.496 7.713 0.783 25961 3911 1 9 . 1 1 38 38 GLY N N 38 108.654 108.654 109.039 -0.385 25961 3912 1 9 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.416 -1.316 25961 3913 1 9 . 1 1 38 38 GLY H H 38 7.955 7.955 7.869 0.086 25961 3914 1 9 . 1 1 39 39 ALA N N 39 123.326 123.326 124.686 -1.360 25961 3915 1 9 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.368 -0.157 25961 3916 1 9 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.664 -0.826 25961 3917 1 9 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.245 -1.516 25961 3918 1 9 . 1 1 39 39 ALA H H 39 8.028 8.028 7.841 0.187 25961 3919 1 9 . 1 1 40 40 ASP N N 40 119.573 119.573 119.506 0.067 25961 3920 1 9 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.470 -0.083 25961 3921 1 9 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.494 -0.500 25961 3922 1 9 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.544 -0.917 25961 3923 1 9 . 1 1 40 40 ASP H H 40 8.261 8.261 8.190 0.071 25961 3924 1 9 . 1 1 41 41 LEU N N 41 123.899 123.899 122.740 1.159 25961 3925 1 9 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.413 0.029 25961 3926 1 9 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.760 -2.539 25961 3927 1 9 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.242 -2.233 25961 3928 1 9 . 1 1 41 41 LEU H H 41 8.663 8.663 7.838 0.825 25961 3929 1 9 . 1 1 42 42 MET N N 42 119.684 119.684 118.236 1.448 25961 3930 1 9 . 1 1 42 42 MET HA H 42 4.730 4.730 4.768 -0.038 25961 3931 1 9 . 1 1 42 42 MET CA C 42 54.695 54.695 55.276 -0.581 25961 3932 1 9 . 1 1 42 42 MET CB C 42 32.194 32.194 32.867 -0.673 25961 3933 1 9 . 1 1 42 42 MET H H 42 8.553 8.553 8.308 0.245 25961 3934 1 9 . 1 1 43 43 GLY N N 43 113.052 113.052 111.342 1.710 25961 3935 1 9 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.470 -3.092 25961 3936 1 9 . 1 1 43 43 GLY H H 43 8.618 8.618 8.733 -0.115 25961 3937 1 9 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.388 0.332 25961 3938 1 9 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.454 -3.223 25961 3939 1 9 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.562 0.390 25961 3940 1 9 . 1 1 45 45 ALA N N 45 120.693 120.693 121.723 -1.030 25961 3941 1 9 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.153 -0.169 25961 3942 1 9 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.564 -0.760 25961 3943 1 9 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.390 -0.423 25961 3944 1 9 . 1 1 45 45 ALA H H 45 7.524 7.524 8.157 -0.633 25961 3945 1 9 . 1 1 46 46 PHE N N 46 122.306 122.306 119.082 3.224 25961 3946 1 9 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.185 -0.223 25961 3947 1 9 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.695 0.631 25961 3948 1 9 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.092 -0.472 25961 3949 1 9 . 1 1 46 46 PHE H H 46 8.603 8.603 7.887 0.716 25961 3950 1 9 . 1 1 47 47 ALA N N 47 123.253 123.253 121.522 1.731 25961 3951 1 9 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.034 0.054 25961 3952 1 9 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.204 -0.253 25961 3953 1 9 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.172 -0.525 25961 3954 1 9 . 1 1 47 47 ALA H H 47 9.199 9.199 7.842 1.357 25961 3955 1 9 . 1 1 48 48 ALA N N 48 117.571 117.571 119.232 -1.661 25961 3956 1 9 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.216 0.087 25961 3957 1 9 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.913 -0.227 25961 3958 1 9 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.145 -1.373 25961 3959 1 9 . 1 1 48 48 ALA H H 48 7.262 7.262 7.478 -0.216 25961 3960 1 9 . 1 1 49 49 GLY N N 49 103.229 103.229 106.133 -2.904 25961 3961 1 9 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.596 -0.977 25961 3962 1 9 . 1 1 49 49 GLY H H 49 7.461 7.461 7.631 -0.170 25961 3963 1 9 . 1 1 50 50 LEU N N 50 120.470 120.470 121.528 -1.058 25961 3964 1 9 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.077 -0.559 25961 3965 1 9 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.922 -1.510 25961 3966 1 9 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.104 -0.149 25961 3967 1 9 . 1 1 50 50 LEU H H 50 7.224 7.224 7.479 -0.255 25961 3968 1 9 . 1 1 51 51 ARG N N 51 119.645 119.645 123.708 -4.063 25961 3969 1 9 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.908 -1.417 25961 3970 1 9 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.103 -0.287 25961 3971 1 9 . 1 1 51 51 ARG H H 51 8.678 8.678 8.027 0.651 25961 3972 1 9 . 1 1 52 52 VAL N N 52 119.995 119.995 118.054 1.941 25961 3973 1 9 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.993 -0.770 25961 3974 1 9 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.858 1.360 25961 3975 1 9 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.774 -1.625 25961 3976 1 9 . 1 1 52 52 VAL H H 52 8.482 8.482 8.462 0.020 25961 3977 1 9 . 1 1 53 53 GLY N N 53 117.052 117.052 114.425 2.627 25961 3978 1 9 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.690 -1.264 25961 3979 1 9 . 1 1 53 53 GLY H H 53 9.122 9.122 8.416 0.706 25961 3980 1 9 . 1 1 54 54 ASP N N 54 124.203 124.203 123.039 1.164 25961 3981 1 9 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.859 -0.026 25961 3982 1 9 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.532 1.202 25961 3983 1 9 . 1 1 54 54 ASP CB C 54 40.279 40.279 40.895 -0.616 25961 3984 1 9 . 1 1 54 54 ASP H H 54 7.848 7.848 7.646 0.202 25961 3985 1 9 . 1 1 55 55 GLN N N 55 121.703 121.703 123.562 -1.859 25961 3986 1 9 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.367 0.500 25961 3987 1 9 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.962 -2.436 25961 3988 1 9 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.044 -0.012 25961 3989 1 9 . 1 1 55 55 GLN H H 55 9.158 9.158 8.137 1.021 25961 3990 1 9 . 1 1 56 56 LEU N N 56 124.733 124.733 126.520 -1.787 25961 3991 1 9 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.163 0.024 25961 3992 1 9 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.929 0.265 25961 3993 1 9 . 1 1 56 56 LEU CB C 56 42.013 42.013 40.192 1.821 25961 3994 1 9 . 1 1 56 56 LEU H H 56 8.770 8.770 8.605 0.165 25961 3995 1 9 . 1 1 57 57 VAL N N 57 123.383 123.383 124.530 -1.147 25961 3996 1 9 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.254 0.054 25961 3997 1 9 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.792 0.351 25961 3998 1 9 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.428 -0.793 25961 3999 1 9 . 1 1 57 57 VAL H H 57 8.889 8.889 7.661 1.228 25961 4000 1 9 . 1 1 58 58 ARG N N 58 118.094 118.094 118.453 -0.359 25961 4001 1 9 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.678 1.660 25961 4002 1 9 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.955 -2.743 25961 4003 1 9 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.862 5.751 25961 4004 1 9 . 1 1 58 58 ARG H H 58 8.531 8.531 7.407 1.124 25961 4005 1 9 . 1 1 59 59 PHE N N 59 123.332 123.332 116.380 6.952 25961 4006 1 9 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.563 0.372 25961 4007 1 9 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.308 0.548 25961 4008 1 9 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.833 0.138 25961 4009 1 9 . 1 1 59 59 PHE H H 59 9.295 9.295 7.483 1.812 25961 4010 1 9 . 1 1 60 60 ALA N N 60 127.537 127.537 125.665 1.872 25961 4011 1 9 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.261 -0.674 25961 4012 1 9 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.866 -0.492 25961 4013 1 9 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.967 -2.494 25961 4014 1 9 . 1 1 60 60 ALA H H 60 8.356 8.356 8.863 -0.507 25961 4015 1 9 . 1 1 61 61 GLY N N 61 103.058 103.058 112.423 -9.365 25961 4016 1 9 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.627 -0.840 25961 4017 1 9 . 1 1 61 61 GLY H H 61 9.178 9.178 7.992 1.186 25961 4018 1 9 . 1 1 62 62 TYR N N 62 120.218 120.218 116.853 3.365 25961 4019 1 9 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.130 0.500 25961 4020 1 9 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.689 -2.112 25961 4021 1 9 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.846 3.046 25961 4022 1 9 . 1 1 62 62 TYR H H 62 7.888 7.888 7.611 0.277 25961 4023 1 9 . 1 1 63 63 THR N N 63 120.933 120.933 112.541 8.392 25961 4024 1 9 . 1 1 63 63 THR HA H 63 4.479 4.479 5.122 -0.643 25961 4025 1 9 . 1 1 63 63 THR CA C 63 62.851 62.851 60.480 2.371 25961 4026 1 9 . 1 1 63 63 THR CB C 63 67.848 67.848 71.750 -3.902 25961 4027 1 9 . 1 1 63 63 THR H H 63 9.108 9.108 7.717 1.391 25961 4028 1 9 . 1 1 64 64 VAL N N 64 121.039 121.039 122.304 -1.265 25961 4029 1 9 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.659 -0.060 25961 4030 1 9 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.142 -2.275 25961 4031 1 9 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.438 -2.434 25961 4032 1 9 . 1 1 64 64 VAL H H 64 7.782 7.782 8.054 -0.272 25961 4033 1 9 . 1 1 65 65 THR N N 65 114.373 114.373 115.292 -0.919 25961 4034 1 9 . 1 1 65 65 THR HA H 65 4.452 4.452 4.474 -0.022 25961 4035 1 9 . 1 1 65 65 THR CA C 65 60.536 60.536 62.436 -1.900 25961 4036 1 9 . 1 1 65 65 THR CB C 65 69.037 69.037 69.845 -0.808 25961 4037 1 9 . 1 1 65 65 THR H H 65 9.053 9.053 8.434 0.619 25961 4038 1 9 . 1 1 66 66 GLU N N 66 115.766 115.766 119.813 -4.047 25961 4039 1 9 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.437 0.126 25961 4040 1 9 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.730 -2.344 25961 4041 1 9 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.944 0.621 25961 4042 1 9 . 1 1 66 66 GLU H H 66 7.345 7.345 8.033 -0.688 25961 4043 1 9 . 1 1 67 67 LEU N N 67 124.674 124.674 118.125 6.549 25961 4044 1 9 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.464 -0.530 25961 4045 1 9 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.725 -0.190 25961 4046 1 9 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.501 0.552 25961 4047 1 9 . 1 1 67 67 LEU H H 67 8.906 8.906 8.495 0.411 25961 4048 1 9 . 1 1 68 68 ALA N N 68 120.493 120.493 121.303 -0.810 25961 4049 1 9 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.188 -0.052 25961 4050 1 9 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.945 -0.271 25961 4051 1 9 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.690 -1.169 25961 4052 1 9 . 1 1 68 68 ALA H H 68 9.022 9.022 8.521 0.501 25961 4053 1 9 . 1 1 69 69 ALA N N 69 119.695 119.695 121.716 -2.021 25961 4054 1 9 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.303 -0.141 25961 4055 1 9 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.863 -0.843 25961 4056 1 9 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.594 -0.931 25961 4057 1 9 . 1 1 69 69 ALA H H 69 7.258 7.258 7.925 -0.667 25961 4058 1 9 . 1 1 70 70 PHE N N 70 119.274 119.274 118.388 0.886 25961 4059 1 9 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.308 -0.349 25961 4060 1 9 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.833 0.127 25961 4061 1 9 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.968 -1.536 25961 4062 1 9 . 1 1 70 70 PHE H H 70 7.769 7.769 7.913 -0.144 25961 4063 1 9 . 1 1 71 71 ASN N N 71 117.363 117.363 118.815 -1.452 25961 4064 1 9 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.545 -0.443 25961 4065 1 9 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.495 -1.798 25961 4066 1 9 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.757 -2.684 25961 4067 1 9 . 1 1 71 71 ASN H H 71 8.801 8.801 8.591 0.210 25961 4068 1 9 . 1 1 72 72 THR N N 72 119.746 119.746 115.591 4.155 25961 4069 1 9 . 1 1 72 72 THR HA H 72 4.220 4.220 4.125 0.095 25961 4070 1 9 . 1 1 72 72 THR CA C 72 65.927 65.927 65.871 0.056 25961 4071 1 9 . 1 1 72 72 THR CB C 72 67.600 67.600 68.729 -1.129 25961 4072 1 9 . 1 1 72 72 THR H H 72 8.109 8.109 8.109 -0.000 25961 4073 1 9 . 1 1 73 73 VAL N N 73 123.156 123.156 118.662 4.494 25961 4074 1 9 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.866 -0.411 25961 4075 1 9 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.096 0.060 25961 4076 1 9 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.885 -0.549 25961 4077 1 9 . 1 1 73 73 VAL H H 73 7.744 7.744 7.480 0.264 25961 4078 1 9 . 1 1 74 74 VAL N N 74 120.420 120.420 121.575 -1.155 25961 4079 1 9 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.556 -0.190 25961 4080 1 9 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.190 -0.592 25961 4081 1 9 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.201 -0.716 25961 4082 1 9 . 1 1 74 74 VAL H H 74 8.154 8.154 7.714 0.440 25961 4083 1 9 . 1 1 75 75 ALA N N 75 120.206 120.206 122.178 -1.972 25961 4084 1 9 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.986 0.009 25961 4085 1 9 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.314 -1.315 25961 4086 1 9 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.388 -1.424 25961 4087 1 9 . 1 1 75 75 ALA H H 75 7.788 7.788 8.207 -0.419 25961 4088 1 9 . 1 1 76 76 ARG N N 76 114.701 114.701 116.367 -1.666 25961 4089 1 9 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.172 -0.087 25961 4090 1 9 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.414 -0.432 25961 4091 1 9 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.768 0.916 25961 4092 1 9 . 1 1 76 76 ARG H H 76 7.705 7.705 7.580 0.125 25961 4093 1 9 . 1 1 77 77 HIS N N 77 112.695 112.695 118.091 -5.396 25961 4094 1 9 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.390 0.420 25961 4095 1 9 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.846 -1.685 25961 4096 1 9 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.103 0.930 25961 4097 1 9 . 1 1 77 77 HIS H H 77 8.123 8.123 7.704 0.419 25961 4098 1 9 . 1 1 78 78 VAL N N 78 119.219 119.219 120.264 -1.045 25961 4099 1 9 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.967 -0.074 25961 4100 1 9 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.904 -0.339 25961 4101 1 9 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.958 -0.830 25961 4102 1 9 . 1 1 78 78 VAL H H 78 8.034 8.034 7.970 0.064 25961 4103 1 9 . 1 1 79 79 ARG N N 79 126.908 126.908 126.023 0.885 25961 4104 1 9 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.539 -1.178 25961 4105 1 9 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.506 -3.315 25961 4106 1 9 . 1 1 79 79 ARG H H 79 7.023 7.023 7.835 -0.812 25961 4107 1 9 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.518 -0.493 25961 4108 1 9 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.547 0.023 25961 4109 1 9 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.181 0.031 25961 4110 1 9 . 1 1 81 81 SER N N 81 115.039 115.039 115.775 -0.736 25961 4111 1 9 . 1 1 81 81 SER HA H 81 4.047 4.047 3.978 0.069 25961 4112 1 9 . 1 1 81 81 SER CA C 81 60.713 60.713 58.815 1.899 25961 4113 1 9 . 1 1 81 81 SER H H 81 8.210 8.210 8.535 -0.325 25961 4114 1 9 . 1 1 82 82 ALA N N 82 123.546 123.546 123.790 -0.244 25961 4115 1 9 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.557 -0.211 25961 4116 1 9 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.459 0.047 25961 4117 1 9 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.997 -0.902 25961 4118 1 9 . 1 1 82 82 ALA H H 82 7.770 7.770 7.384 0.386 25961 4119 1 9 . 1 1 83 83 SER N N 83 116.753 116.753 118.960 -2.207 25961 4120 1 9 . 1 1 83 83 SER HA H 83 5.129 5.129 5.007 0.122 25961 4121 1 9 . 1 1 83 83 SER CA C 83 56.582 56.582 57.908 -1.327 25961 4122 1 9 . 1 1 83 83 SER CB C 83 62.554 62.554 64.576 -2.022 25961 4123 1 9 . 1 1 83 83 SER H H 83 8.524 8.524 8.650 -0.126 25961 4124 1 9 . 1 1 84 84 ILE N N 84 126.985 126.985 124.121 2.864 25961 4125 1 9 . 1 1 84 84 ILE CA C 84 54.786 54.786 58.193 -3.407 25961 4126 1 9 . 1 1 84 84 ILE CB C 84 38.424 38.424 42.006 -3.582 25961 4127 1 9 . 1 1 84 84 ILE H H 84 9.599 9.599 8.290 1.309 25961 4128 1 9 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.520 0.425 25961 4129 1 9 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.642 -1.089 25961 4130 1 9 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.263 0.164 25961 4131 1 9 . 1 1 86 86 VAL N N 86 123.811 123.811 126.249 -2.438 25961 4132 1 9 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.068 0.781 25961 4133 1 9 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.596 -0.824 25961 4134 1 9 . 1 1 86 86 VAL CB C 86 34.644 34.644 33.828 0.817 25961 4135 1 9 . 1 1 86 86 VAL H H 86 9.033 9.033 8.003 1.030 25961 4136 1 9 . 1 1 87 87 VAL N N 87 127.839 127.839 122.831 5.008 25961 4137 1 9 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.174 0.798 25961 4138 1 9 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.819 -1.126 25961 4139 1 9 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.436 -0.018 25961 4140 1 9 . 1 1 87 87 VAL H H 87 9.132 9.132 8.122 1.010 25961 4141 1 9 . 1 1 88 88 PHE N N 88 127.301 127.301 126.288 1.013 25961 4142 1 9 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.299 0.319 25961 4143 1 9 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.141 -1.930 25961 4144 1 9 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.035 -2.033 25961 4145 1 9 . 1 1 88 88 PHE H H 88 9.248 9.248 8.249 0.999 25961 4146 1 9 . 1 1 89 89 SER N N 89 113.734 113.734 114.485 -0.751 25961 4147 1 9 . 1 1 89 89 SER HA H 89 5.336 5.336 5.275 0.061 25961 4148 1 9 . 1 1 89 89 SER CA C 89 54.452 54.452 57.331 -2.879 25961 4149 1 9 . 1 1 89 89 SER CB C 89 64.474 64.474 66.427 -1.953 25961 4150 1 9 . 1 1 89 89 SER H H 89 9.689 9.689 8.365 1.324 25961 4151 1 9 . 1 1 90 90 ARG N N 90 128.114 128.114 123.826 4.288 25961 4152 1 9 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.810 -0.063 25961 4153 1 9 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.641 -1.519 25961 4154 1 9 . 1 1 90 90 ARG CB C 90 32.336 32.336 32.004 0.332 25961 4155 1 9 . 1 1 90 90 ARG H H 90 8.561 8.561 8.108 0.453 25961 4156 1 9 . 1 1 91 91 ASP N N 91 129.790 129.790 124.274 5.516 25961 4157 1 9 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.351 -0.082 25961 4158 1 9 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.325 -0.824 25961 4159 1 9 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.441 -0.360 25961 4160 1 9 . 1 1 91 91 ASP H H 91 9.461 9.461 8.898 0.563 25961 4161 1 9 . 1 1 92 92 GLY N N 92 102.404 102.404 103.095 -0.691 25961 4162 1 9 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.888 -0.583 25961 4163 1 9 . 1 1 92 92 GLY H H 92 8.391 8.391 8.370 0.021 25961 4164 1 9 . 1 1 93 93 VAL N N 93 123.090 123.090 120.915 2.175 25961 4165 1 9 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.846 0.156 25961 4166 1 9 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.144 -1.878 25961 4167 1 9 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.554 -0.736 25961 4168 1 9 . 1 1 93 93 VAL H H 93 7.682 7.682 7.537 0.145 25961 4169 1 9 . 1 1 94 94 VAL N N 94 128.414 128.414 125.094 3.320 25961 4170 1 9 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.968 0.166 25961 4171 1 9 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.005 1.335 25961 4172 1 9 . 1 1 94 94 VAL CB C 94 30.116 30.116 31.135 -1.019 25961 4173 1 9 . 1 1 94 94 VAL H H 94 8.400 8.400 8.143 0.257 25961 4174 1 9 . 1 1 95 95 MET N N 95 129.196 129.196 128.537 0.659 25961 4175 1 9 . 1 1 95 95 MET HA H 95 4.352 4.352 4.849 -0.497 25961 4176 1 9 . 1 1 95 95 MET CA C 95 53.674 53.674 54.644 -0.970 25961 4177 1 9 . 1 1 95 95 MET CB C 95 36.104 36.104 37.424 -1.320 25961 4178 1 9 . 1 1 95 95 MET H H 95 9.100 9.100 8.278 0.822 25961 4179 1 9 . 1 1 96 96 SER N N 96 111.540 111.540 116.613 -5.073 25961 4180 1 9 . 1 1 96 96 SER HA H 96 5.469 5.469 5.106 0.363 25961 4181 1 9 . 1 1 96 96 SER CA C 96 55.830 55.830 57.753 -1.923 25961 4182 1 9 . 1 1 96 96 SER CB C 96 65.471 65.471 65.762 -0.291 25961 4183 1 9 . 1 1 96 96 SER H H 96 8.004 8.004 8.362 -0.358 25961 4184 1 9 . 1 1 97 97 ALA N N 97 124.079 124.079 127.891 -3.812 25961 4185 1 9 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.744 0.044 25961 4186 1 9 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.002 -1.603 25961 4187 1 9 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.182 0.362 25961 4188 1 9 . 1 1 97 97 ALA H H 97 9.145 9.145 8.386 0.759 25961 4189 1 9 . 1 1 98 98 THR N N 98 117.342 117.342 118.398 -1.056 25961 4190 1 9 . 1 1 98 98 THR HA H 98 4.823 4.823 4.434 0.389 25961 4191 1 9 . 1 1 98 98 THR CA C 98 61.053 61.053 63.224 -2.171 25961 4192 1 9 . 1 1 98 98 THR CB C 98 69.913 69.913 69.060 0.853 25961 4193 1 9 . 1 1 98 98 THR H H 98 8.754 8.754 8.402 0.352 25961 4194 1 9 . 1 1 99 99 ILE N N 99 125.689 125.689 124.400 1.289 25961 4195 1 9 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.586 -0.475 25961 4196 1 9 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.049 -0.680 25961 4197 1 9 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.185 -0.494 25961 4198 1 9 . 1 1 99 99 ILE H H 99 8.868 8.868 8.009 0.859 25961 4199 1 9 . 1 1 100 100 VAL N N 100 129.871 129.871 126.400 3.471 25961 4200 1 9 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.273 0.393 25961 4201 1 9 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.631 -0.764 25961 4202 1 9 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.832 -2.222 25961 4203 1 9 . 1 1 100 100 VAL H H 100 8.818 8.818 8.517 0.301 25961 4204 1 9 . 1 1 101 101 VAL N N 101 128.299 128.299 127.511 0.788 25961 4205 1 9 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.249 -0.880 25961 4206 1 9 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.307 3.020 25961 4207 1 9 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.261 -2.287 25961 4208 1 9 . 1 1 101 101 VAL H H 101 8.795 8.795 7.829 0.966 25961 4209 1 9 . 1 1 102 102 GLY N N 102 115.466 115.466 113.552 1.914 25961 4210 1 9 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.559 -0.879 25961 4211 1 9 . 1 1 102 102 GLY H H 102 8.393 8.393 8.576 -0.183 25961 4212 1 9 . 1 1 103 103 GLU N N 103 119.459 119.459 125.756 -6.297 25961 4213 1 9 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.327 0.628 25961 4214 1 9 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.725 -2.979 25961 4215 1 9 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.446 1.755 25961 4216 1 9 . 1 1 103 103 GLU H H 103 8.386 8.386 8.462 -0.076 25961 4217 1 9 . 1 1 104 104 LEU N N 104 123.881 123.881 118.055 5.826 25961 4218 1 9 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.488 0.212 25961 4219 1 9 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.636 -1.069 25961 4220 1 9 . 1 1 104 104 LEU CB C 104 44.058 44.058 44.528 -0.470 25961 4221 1 9 . 1 1 104 104 LEU H H 104 8.735 8.735 7.704 1.031 25961 4222 1 10 . 1 1 2 2 LEU N N 2 122.611 122.611 117.879 4.732 25961 4223 1 10 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.644 -0.252 25961 4224 1 10 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.763 -1.431 25961 4225 1 10 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.486 -4.169 25961 4226 1 10 . 1 1 2 2 LEU H H 2 8.535 8.535 9.120 -0.585 25961 4227 1 10 . 1 1 3 3 THR N N 3 112.475 112.475 114.809 -2.334 25961 4228 1 10 . 1 1 3 3 THR HA H 3 4.777 4.777 4.508 0.269 25961 4229 1 10 . 1 1 3 3 THR CA C 3 59.259 59.259 60.531 -1.272 25961 4230 1 10 . 1 1 3 3 THR CB C 3 70.185 70.185 70.062 0.123 25961 4231 1 10 . 1 1 3 3 THR H H 3 7.903 7.903 8.403 -0.500 25961 4232 1 10 . 1 1 4 4 ARG N N 4 120.183 120.183 122.365 -2.182 25961 4233 1 10 . 1 1 4 4 ARG H H 4 8.809 8.809 8.665 0.144 25961 4234 1 10 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.623 -0.251 25961 4235 1 10 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.106 1.911 25961 4236 1 10 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.293 1.295 25961 4237 1 10 . 1 1 6 6 TYR N N 6 120.727 120.727 122.177 -1.450 25961 4238 1 10 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.667 -0.033 25961 4239 1 10 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.368 -1.292 25961 4240 1 10 . 1 1 6 6 TYR CB C 6 41.054 41.054 42.278 -1.224 25961 4241 1 10 . 1 1 6 6 TYR H H 6 7.530 7.530 8.144 -0.614 25961 4242 1 10 . 1 1 7 7 LEU N N 7 126.575 126.575 120.809 5.766 25961 4243 1 10 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.417 -1.010 25961 4244 1 10 . 1 1 7 7 LEU H H 7 8.500 8.500 8.393 0.107 25961 4245 1 10 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.778 0.929 25961 4246 1 10 . 1 1 9 9 PHE N N 9 114.612 114.612 115.505 -0.893 25961 4247 1 10 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.667 0.691 25961 4248 1 10 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.552 -1.290 25961 4249 1 10 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.175 -0.721 25961 4250 1 10 . 1 1 9 9 PHE H H 9 7.102 7.102 7.405 -0.303 25961 4251 1 10 . 1 1 10 10 ARG N N 10 117.800 117.800 121.298 -3.498 25961 4252 1 10 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.558 0.113 25961 4253 1 10 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.059 -1.660 25961 4254 1 10 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.266 0.549 25961 4255 1 10 . 1 1 10 10 ARG H H 10 8.206 8.206 8.657 -0.451 25961 4256 1 10 . 1 1 11 11 VAL N N 11 117.216 117.216 122.274 -5.058 25961 4257 1 10 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.754 0.413 25961 4258 1 10 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.223 -2.033 25961 4259 1 10 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.952 -1.077 25961 4260 1 10 . 1 1 11 11 VAL H H 11 8.601 8.601 8.408 0.193 25961 4261 1 10 . 1 1 12 12 ALA N N 12 123.025 123.025 132.551 -9.526 25961 4262 1 10 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.817 -0.237 25961 4263 1 10 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.514 -0.972 25961 4264 1 10 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.934 0.848 25961 4265 1 10 . 1 1 12 12 ALA H H 12 8.861 8.861 8.127 0.734 25961 4266 1 10 . 1 1 13 13 VAL N N 13 121.395 121.395 124.809 -3.414 25961 4267 1 10 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.153 0.398 25961 4268 1 10 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.811 -1.528 25961 4269 1 10 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.625 -0.931 25961 4270 1 10 . 1 1 13 13 VAL H H 13 8.585 8.585 8.646 -0.061 25961 4271 1 10 . 1 1 14 14 GLY N N 14 117.546 117.546 116.479 1.067 25961 4272 1 10 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.157 -1.773 25961 4273 1 10 . 1 1 14 14 GLY H H 14 8.789 8.789 8.639 0.150 25961 4274 1 10 . 1 1 15 15 ARG N N 15 120.075 120.075 119.952 0.123 25961 4275 1 10 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.670 0.440 25961 4276 1 10 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.108 -1.216 25961 4277 1 10 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.888 -0.132 25961 4278 1 10 . 1 1 15 15 ARG H H 15 8.299 8.299 8.328 -0.029 25961 4279 1 10 . 1 1 16 16 ASP N N 16 123.872 123.872 122.838 1.034 25961 4280 1 10 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.760 -0.015 25961 4281 1 10 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.348 -0.977 25961 4282 1 10 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.615 -0.863 25961 4283 1 10 . 1 1 16 16 ASP H H 16 8.619 8.619 8.240 0.379 25961 4284 1 10 . 1 1 17 17 SER N N 17 114.309 114.309 113.683 0.626 25961 4285 1 10 . 1 1 17 17 SER HA H 17 4.196 4.196 4.169 0.027 25961 4286 1 10 . 1 1 17 17 SER CA C 17 59.950 59.950 60.403 -0.452 25961 4287 1 10 . 1 1 17 17 SER CB C 17 61.825 61.825 63.180 -1.355 25961 4288 1 10 . 1 1 17 17 SER H H 17 8.624 8.624 8.372 0.252 25961 4289 1 10 . 1 1 18 18 SER N N 18 117.903 117.903 116.131 1.772 25961 4290 1 10 . 1 1 18 18 SER HA H 18 4.597 4.597 4.322 0.275 25961 4291 1 10 . 1 1 18 18 SER CA C 18 57.732 57.732 59.483 -1.751 25961 4292 1 10 . 1 1 18 18 SER CB C 18 63.470 63.470 63.461 0.009 25961 4293 1 10 . 1 1 18 18 SER H H 18 8.385 8.385 7.656 0.729 25961 4294 1 10 . 1 1 19 19 GLY N N 19 109.883 109.883 109.116 0.767 25961 4295 1 10 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.124 -0.953 25961 4296 1 10 . 1 1 19 19 GLY H H 19 8.214 8.214 8.743 -0.529 25961 4297 1 10 . 1 1 20 20 CYS N N 20 122.167 122.167 119.325 2.842 25961 4298 1 10 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.596 -0.108 25961 4299 1 10 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.516 -0.479 25961 4300 1 10 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.070 -2.385 25961 4301 1 10 . 1 1 20 20 CYS H H 20 8.286 8.286 8.050 0.236 25961 4302 1 10 . 1 1 21 21 THR N N 21 119.387 119.387 115.219 4.168 25961 4303 1 10 . 1 1 21 21 THR HA H 21 4.764 4.764 4.168 0.596 25961 4304 1 10 . 1 1 21 21 THR CA C 21 61.953 61.953 63.721 -1.768 25961 4305 1 10 . 1 1 21 21 THR CB C 21 68.795 68.795 67.093 1.702 25961 4306 1 10 . 1 1 21 21 THR H H 21 8.626 8.626 8.354 0.272 25961 4307 1 10 . 1 1 22 22 THR N N 22 116.611 116.611 113.618 2.993 25961 4308 1 10 . 1 1 22 22 THR HA H 22 4.513 4.513 4.927 -0.414 25961 4309 1 10 . 1 1 22 22 THR CA C 22 58.918 58.918 59.467 -0.549 25961 4310 1 10 . 1 1 22 22 THR CB C 22 71.128 71.128 71.879 -0.751 25961 4311 1 10 . 1 1 22 22 THR H H 22 8.343 8.343 7.927 0.416 25961 4312 1 10 . 1 1 23 23 LEU N N 23 122.893 122.893 121.889 1.004 25961 4313 1 10 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.060 -0.128 25961 4314 1 10 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.030 -1.543 25961 4315 1 10 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.948 -2.683 25961 4316 1 10 . 1 1 23 23 LEU H H 23 9.157 9.157 8.619 0.538 25961 4317 1 10 . 1 1 24 24 SER N N 24 116.771 116.771 118.900 -2.129 25961 4318 1 10 . 1 1 24 24 SER HA H 24 5.173 5.173 4.696 0.477 25961 4319 1 10 . 1 1 24 24 SER CA C 24 55.247 55.247 57.728 -2.481 25961 4320 1 10 . 1 1 24 24 SER CB C 24 64.841 64.841 64.246 0.595 25961 4321 1 10 . 1 1 24 24 SER H H 24 8.656 8.656 8.038 0.618 25961 4322 1 10 . 1 1 25 25 ILE N N 25 122.747 122.747 123.747 -1.000 25961 4323 1 10 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.684 -0.653 25961 4324 1 10 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.650 2.620 25961 4325 1 10 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.119 -2.470 25961 4326 1 10 . 1 1 25 25 ILE H H 25 9.023 9.023 7.879 1.144 25961 4327 1 10 . 1 1 26 26 GLN N N 26 129.779 129.779 126.288 3.491 25961 4328 1 10 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.308 0.121 25961 4329 1 10 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.789 -3.202 25961 4330 1 10 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.721 0.555 25961 4331 1 10 . 1 1 26 26 GLN H H 26 9.093 9.093 8.486 0.607 25961 4332 1 10 . 1 1 27 27 GLU N N 27 118.722 118.722 118.450 0.272 25961 4333 1 10 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.130 -0.166 25961 4334 1 10 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.167 -0.145 25961 4335 1 10 . 1 1 27 27 GLU H H 27 7.479 7.479 7.849 -0.370 25961 4336 1 10 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.254 0.189 25961 4337 1 10 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.487 -0.332 25961 4338 1 10 . 1 1 28 28 VAL CB C 28 33.680 33.680 33.393 0.287 25961 4339 1 10 . 1 1 29 29 THR N N 29 124.459 124.459 119.492 4.967 25961 4340 1 10 . 1 1 29 29 THR HA H 29 4.183 4.183 4.393 -0.210 25961 4341 1 10 . 1 1 29 29 THR CA C 29 62.474 62.474 63.142 -0.668 25961 4342 1 10 . 1 1 29 29 THR CB C 29 68.811 68.811 69.003 -0.192 25961 4343 1 10 . 1 1 29 29 THR H H 29 8.009 8.009 8.382 -0.372 25961 4344 1 10 . 1 1 30 30 GLN N N 30 130.053 130.053 121.028 9.025 25961 4345 1 10 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.263 -0.741 25961 4346 1 10 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.828 1.058 25961 4347 1 10 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.828 -1.523 25961 4348 1 10 . 1 1 30 30 GLN H H 30 9.321 9.321 8.095 1.226 25961 4349 1 10 . 1 1 31 31 THR N N 31 111.234 111.234 109.984 1.250 25961 4350 1 10 . 1 1 31 31 THR HA H 31 5.509 5.509 4.490 1.019 25961 4351 1 10 . 1 1 31 31 THR CA C 31 58.798 58.798 61.096 -2.298 25961 4352 1 10 . 1 1 31 31 THR CB C 31 71.374 71.374 67.936 3.438 25961 4353 1 10 . 1 1 31 31 THR H H 31 7.630 7.630 7.829 -0.199 25961 4354 1 10 . 1 1 32 32 TYR N N 32 121.998 121.998 121.543 0.455 25961 4355 1 10 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.627 0.176 25961 4356 1 10 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.657 -2.858 25961 4357 1 10 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.088 -2.370 25961 4358 1 10 . 1 1 32 32 TYR H H 32 9.359 9.359 7.516 1.843 25961 4359 1 10 . 1 1 33 33 THR N N 33 114.039 114.039 114.204 -0.165 25961 4360 1 10 . 1 1 33 33 THR HA H 33 4.390 4.390 4.570 -0.180 25961 4361 1 10 . 1 1 33 33 THR CA C 33 59.896 59.896 61.336 -1.440 25961 4362 1 10 . 1 1 33 33 THR CB C 33 69.135 69.135 71.464 -2.329 25961 4363 1 10 . 1 1 33 33 THR H H 33 7.985 7.985 7.743 0.242 25961 4364 1 10 . 1 1 34 34 GLY N N 34 113.445 113.445 108.991 4.454 25961 4365 1 10 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.996 -1.924 25961 4366 1 10 . 1 1 34 34 GLY H H 34 8.698 8.698 8.413 0.285 25961 4367 1 10 . 1 1 35 35 SER N N 35 113.837 113.837 117.885 -4.048 25961 4368 1 10 . 1 1 35 35 SER HA H 35 4.264 4.264 4.522 -0.258 25961 4369 1 10 . 1 1 35 35 SER CA C 35 57.651 57.651 57.446 0.205 25961 4370 1 10 . 1 1 35 35 SER CB C 35 63.056 63.056 63.876 -0.820 25961 4371 1 10 . 1 1 35 35 SER H H 35 8.039 8.039 7.852 0.187 25961 4372 1 10 . 1 1 36 36 ASN N N 36 119.749 119.749 122.236 -2.487 25961 4373 1 10 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.380 0.204 25961 4374 1 10 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.221 -1.440 25961 4375 1 10 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.586 -0.400 25961 4376 1 10 . 1 1 36 36 ASN H H 36 8.767 8.767 8.982 -0.215 25961 4377 1 10 . 1 1 37 37 GLY N N 37 110.628 110.628 102.783 7.845 25961 4378 1 10 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.460 -0.875 25961 4379 1 10 . 1 1 37 37 GLY H H 37 8.496 8.496 8.136 0.360 25961 4380 1 10 . 1 1 38 38 GLY N N 38 108.654 108.654 107.166 1.488 25961 4381 1 10 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.921 -1.821 25961 4382 1 10 . 1 1 38 38 GLY H H 38 7.955 7.955 7.922 0.033 25961 4383 1 10 . 1 1 39 39 ALA N N 39 123.326 123.326 122.529 0.797 25961 4384 1 10 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.712 -0.501 25961 4385 1 10 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.512 -0.674 25961 4386 1 10 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.558 -2.829 25961 4387 1 10 . 1 1 39 39 ALA H H 39 8.028 8.028 7.625 0.403 25961 4388 1 10 . 1 1 40 40 ASP N N 40 119.573 119.573 118.825 0.748 25961 4389 1 10 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.304 0.083 25961 4390 1 10 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.314 -0.320 25961 4391 1 10 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.677 -1.050 25961 4392 1 10 . 1 1 40 40 ASP H H 40 8.261 8.261 8.122 0.139 25961 4393 1 10 . 1 1 41 41 LEU N N 41 123.899 123.899 122.404 1.495 25961 4394 1 10 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.533 -0.091 25961 4395 1 10 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.644 -2.423 25961 4396 1 10 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.731 -2.722 25961 4397 1 10 . 1 1 41 41 LEU H H 41 8.663 8.663 7.893 0.770 25961 4398 1 10 . 1 1 42 42 MET N N 42 119.684 119.684 119.208 0.476 25961 4399 1 10 . 1 1 42 42 MET HA H 42 4.730 4.730 4.801 -0.071 25961 4400 1 10 . 1 1 42 42 MET CA C 42 54.695 54.695 55.514 -0.819 25961 4401 1 10 . 1 1 42 42 MET CB C 42 32.194 32.194 33.979 -1.785 25961 4402 1 10 . 1 1 42 42 MET H H 42 8.553 8.553 8.281 0.272 25961 4403 1 10 . 1 1 43 43 GLY N N 43 113.052 113.052 110.218 2.834 25961 4404 1 10 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.381 -3.003 25961 4405 1 10 . 1 1 43 43 GLY H H 43 8.618 8.618 8.588 0.030 25961 4406 1 10 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.481 0.239 25961 4407 1 10 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.702 -3.471 25961 4408 1 10 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.579 0.374 25961 4409 1 10 . 1 1 45 45 ALA N N 45 120.693 120.693 122.163 -1.470 25961 4410 1 10 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.080 -0.096 25961 4411 1 10 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.796 -0.992 25961 4412 1 10 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.243 -0.276 25961 4413 1 10 . 1 1 45 45 ALA H H 45 7.524 7.524 8.321 -0.797 25961 4414 1 10 . 1 1 46 46 PHE N N 46 122.306 122.306 117.068 5.238 25961 4415 1 10 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.251 -0.289 25961 4416 1 10 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.632 0.694 25961 4417 1 10 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.196 -0.576 25961 4418 1 10 . 1 1 46 46 PHE H H 46 8.603 8.603 8.237 0.366 25961 4419 1 10 . 1 1 47 47 ALA N N 47 123.253 123.253 121.947 1.306 25961 4420 1 10 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.126 -0.038 25961 4421 1 10 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.582 -0.631 25961 4422 1 10 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.249 -0.602 25961 4423 1 10 . 1 1 47 47 ALA H H 47 9.199 9.199 7.614 1.585 25961 4424 1 10 . 1 1 48 48 ALA N N 48 117.571 117.571 118.655 -1.084 25961 4425 1 10 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.384 -0.081 25961 4426 1 10 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.123 -0.436 25961 4427 1 10 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.291 -1.519 25961 4428 1 10 . 1 1 48 48 ALA H H 48 7.262 7.262 7.666 -0.404 25961 4429 1 10 . 1 1 49 49 GLY N N 49 103.229 103.229 105.808 -2.579 25961 4430 1 10 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.742 -1.123 25961 4431 1 10 . 1 1 49 49 GLY H H 49 7.461 7.461 7.631 -0.170 25961 4432 1 10 . 1 1 50 50 LEU N N 50 120.470 120.470 122.912 -2.442 25961 4433 1 10 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.090 -0.572 25961 4434 1 10 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.303 -0.891 25961 4435 1 10 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.372 0.583 25961 4436 1 10 . 1 1 50 50 LEU H H 50 7.224 7.224 8.140 -0.916 25961 4437 1 10 . 1 1 51 51 ARG N N 51 119.645 119.645 123.780 -4.135 25961 4438 1 10 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.056 -1.565 25961 4439 1 10 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.638 -0.822 25961 4440 1 10 . 1 1 51 51 ARG H H 51 8.678 8.678 8.021 0.657 25961 4441 1 10 . 1 1 52 52 VAL N N 52 119.995 119.995 118.916 1.079 25961 4442 1 10 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.768 -0.545 25961 4443 1 10 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.099 1.119 25961 4444 1 10 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.519 -1.370 25961 4445 1 10 . 1 1 52 52 VAL H H 52 8.482 8.482 8.295 0.187 25961 4446 1 10 . 1 1 53 53 GLY N N 53 117.052 117.052 116.258 0.794 25961 4447 1 10 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.768 -1.343 25961 4448 1 10 . 1 1 53 53 GLY H H 53 9.122 9.122 8.520 0.602 25961 4449 1 10 . 1 1 54 54 ASP N N 54 124.203 124.203 123.711 0.492 25961 4450 1 10 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.661 0.172 25961 4451 1 10 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.496 0.238 25961 4452 1 10 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.307 -1.028 25961 4453 1 10 . 1 1 54 54 ASP H H 54 7.848 7.848 7.851 -0.003 25961 4454 1 10 . 1 1 55 55 GLN N N 55 121.703 121.703 119.219 2.484 25961 4455 1 10 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.508 0.359 25961 4456 1 10 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.775 -2.249 25961 4457 1 10 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.572 -1.540 25961 4458 1 10 . 1 1 55 55 GLN H H 55 9.158 9.158 8.087 1.071 25961 4459 1 10 . 1 1 56 56 LEU N N 56 124.733 124.733 126.817 -2.084 25961 4460 1 10 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.961 -0.774 25961 4461 1 10 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.018 1.177 25961 4462 1 10 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.790 -1.777 25961 4463 1 10 . 1 1 56 56 LEU H H 56 8.770 8.770 8.069 0.701 25961 4464 1 10 . 1 1 57 57 VAL N N 57 123.383 123.383 121.711 1.672 25961 4465 1 10 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.455 -0.147 25961 4466 1 10 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.484 1.659 25961 4467 1 10 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.177 -0.542 25961 4468 1 10 . 1 1 57 57 VAL H H 57 8.889 8.889 8.340 0.549 25961 4469 1 10 . 1 1 58 58 ARG N N 58 118.094 118.094 120.254 -2.160 25961 4470 1 10 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.772 1.566 25961 4471 1 10 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.346 -3.134 25961 4472 1 10 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.750 5.862 25961 4473 1 10 . 1 1 58 58 ARG H H 58 8.531 8.531 7.522 1.009 25961 4474 1 10 . 1 1 59 59 PHE N N 59 123.332 123.332 116.594 6.738 25961 4475 1 10 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.563 0.372 25961 4476 1 10 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.139 0.717 25961 4477 1 10 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.180 0.791 25961 4478 1 10 . 1 1 59 59 PHE H H 59 9.295 9.295 7.474 1.821 25961 4479 1 10 . 1 1 60 60 ALA N N 60 127.537 127.537 125.524 2.013 25961 4480 1 10 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.199 -0.612 25961 4481 1 10 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.682 -0.308 25961 4482 1 10 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.855 -2.382 25961 4483 1 10 . 1 1 60 60 ALA H H 60 8.356 8.356 8.765 -0.409 25961 4484 1 10 . 1 1 61 61 GLY N N 61 103.058 103.058 112.022 -8.964 25961 4485 1 10 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.830 -1.043 25961 4486 1 10 . 1 1 61 61 GLY H H 61 9.178 9.178 7.911 1.267 25961 4487 1 10 . 1 1 62 62 TYR N N 62 120.218 120.218 116.395 3.823 25961 4488 1 10 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.122 0.508 25961 4489 1 10 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.279 -1.702 25961 4490 1 10 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.185 3.707 25961 4491 1 10 . 1 1 62 62 TYR H H 62 7.888 7.888 7.391 0.497 25961 4492 1 10 . 1 1 63 63 THR N N 63 120.933 120.933 112.847 8.086 25961 4493 1 10 . 1 1 63 63 THR HA H 63 4.479 4.479 5.465 -0.986 25961 4494 1 10 . 1 1 63 63 THR CA C 63 62.851 62.851 59.536 3.315 25961 4495 1 10 . 1 1 63 63 THR CB C 63 67.848 67.848 71.173 -3.325 25961 4496 1 10 . 1 1 63 63 THR H H 63 9.108 9.108 7.643 1.465 25961 4497 1 10 . 1 1 64 64 VAL N N 64 121.039 121.039 125.779 -4.740 25961 4498 1 10 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.691 -0.092 25961 4499 1 10 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.903 -2.036 25961 4500 1 10 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.351 -2.347 25961 4501 1 10 . 1 1 64 64 VAL H H 64 7.782 7.782 8.694 -0.912 25961 4502 1 10 . 1 1 65 65 THR N N 65 114.373 114.373 115.829 -1.456 25961 4503 1 10 . 1 1 65 65 THR HA H 65 4.452 4.452 4.423 0.029 25961 4504 1 10 . 1 1 65 65 THR CA C 65 60.536 60.536 62.636 -2.100 25961 4505 1 10 . 1 1 65 65 THR CB C 65 69.037 69.037 69.592 -0.555 25961 4506 1 10 . 1 1 65 65 THR H H 65 9.053 9.053 8.356 0.697 25961 4507 1 10 . 1 1 66 66 GLU N N 66 115.766 115.766 118.544 -2.778 25961 4508 1 10 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.442 0.121 25961 4509 1 10 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.798 -2.411 25961 4510 1 10 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.365 1.200 25961 4511 1 10 . 1 1 66 66 GLU H H 66 7.345 7.345 7.816 -0.471 25961 4512 1 10 . 1 1 67 67 LEU N N 67 124.674 124.674 117.409 7.265 25961 4513 1 10 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.290 -0.356 25961 4514 1 10 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.852 -0.317 25961 4515 1 10 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.174 -0.121 25961 4516 1 10 . 1 1 67 67 LEU H H 67 8.906 8.906 8.759 0.147 25961 4517 1 10 . 1 1 68 68 ALA N N 68 120.493 120.493 121.466 -0.973 25961 4518 1 10 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.069 0.067 25961 4519 1 10 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.884 -0.210 25961 4520 1 10 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.825 -1.304 25961 4521 1 10 . 1 1 68 68 ALA H H 68 9.022 9.022 8.074 0.948 25961 4522 1 10 . 1 1 69 69 ALA N N 69 119.695 119.695 121.931 -2.236 25961 4523 1 10 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.248 -0.086 25961 4524 1 10 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.639 -0.619 25961 4525 1 10 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.717 -1.054 25961 4526 1 10 . 1 1 69 69 ALA H H 69 7.258 7.258 7.759 -0.501 25961 4527 1 10 . 1 1 70 70 PHE N N 70 119.274 119.274 119.048 0.226 25961 4528 1 10 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.407 -0.448 25961 4529 1 10 . 1 1 70 70 PHE CA C 70 60.960 60.960 59.939 1.021 25961 4530 1 10 . 1 1 70 70 PHE CB C 70 38.432 38.432 40.042 -1.610 25961 4531 1 10 . 1 1 70 70 PHE H H 70 7.769 7.769 7.919 -0.150 25961 4532 1 10 . 1 1 71 71 ASN N N 71 117.363 117.363 119.493 -2.130 25961 4533 1 10 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.423 -0.321 25961 4534 1 10 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.249 -2.552 25961 4535 1 10 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.824 -2.751 25961 4536 1 10 . 1 1 71 71 ASN H H 71 8.801 8.801 8.638 0.163 25961 4537 1 10 . 1 1 72 72 THR N N 72 119.746 119.746 115.393 4.353 25961 4538 1 10 . 1 1 72 72 THR HA H 72 4.220 4.220 4.064 0.156 25961 4539 1 10 . 1 1 72 72 THR CA C 72 65.927 65.927 65.929 -0.002 25961 4540 1 10 . 1 1 72 72 THR CB C 72 67.600 67.600 68.855 -1.254 25961 4541 1 10 . 1 1 72 72 THR H H 72 8.109 8.109 7.631 0.478 25961 4542 1 10 . 1 1 73 73 VAL N N 73 123.156 123.156 121.683 1.473 25961 4543 1 10 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.705 -0.250 25961 4544 1 10 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.396 -0.240 25961 4545 1 10 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.213 -0.877 25961 4546 1 10 . 1 1 73 73 VAL H H 73 7.744 7.744 7.273 0.471 25961 4547 1 10 . 1 1 74 74 VAL N N 74 120.420 120.420 119.894 0.526 25961 4548 1 10 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.467 -0.101 25961 4549 1 10 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.617 -1.019 25961 4550 1 10 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.441 0.044 25961 4551 1 10 . 1 1 74 74 VAL H H 74 8.154 8.154 8.246 -0.092 25961 4552 1 10 . 1 1 75 75 ALA N N 75 120.206 120.206 122.289 -2.083 25961 4553 1 10 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.040 -0.045 25961 4554 1 10 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.691 -1.692 25961 4555 1 10 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.378 -1.414 25961 4556 1 10 . 1 1 75 75 ALA H H 75 7.788 7.788 7.600 0.188 25961 4557 1 10 . 1 1 76 76 ARG N N 76 114.701 114.701 115.982 -1.281 25961 4558 1 10 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.188 -0.103 25961 4559 1 10 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.302 -0.320 25961 4560 1 10 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.383 1.301 25961 4561 1 10 . 1 1 76 76 ARG H H 76 7.705 7.705 7.719 -0.014 25961 4562 1 10 . 1 1 77 77 HIS N N 77 112.695 112.695 119.320 -6.625 25961 4563 1 10 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.481 0.329 25961 4564 1 10 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.329 -1.168 25961 4565 1 10 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.363 0.671 25961 4566 1 10 . 1 1 77 77 HIS H H 77 8.123 8.123 8.053 0.070 25961 4567 1 10 . 1 1 78 78 VAL N N 78 119.219 119.219 121.737 -2.518 25961 4568 1 10 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.738 0.155 25961 4569 1 10 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.024 -0.459 25961 4570 1 10 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.745 -0.618 25961 4571 1 10 . 1 1 78 78 VAL H H 78 8.034 8.034 8.000 0.034 25961 4572 1 10 . 1 1 79 79 ARG N N 79 126.908 126.908 126.520 0.388 25961 4573 1 10 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.859 -1.498 25961 4574 1 10 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.575 -3.384 25961 4575 1 10 . 1 1 79 79 ARG H H 79 7.023 7.023 7.785 -0.762 25961 4576 1 10 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.561 -0.536 25961 4577 1 10 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.476 0.094 25961 4578 1 10 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.158 0.054 25961 4579 1 10 . 1 1 81 81 SER N N 81 115.039 115.039 115.305 -0.266 25961 4580 1 10 . 1 1 81 81 SER HA H 81 4.047 4.047 3.968 0.079 25961 4581 1 10 . 1 1 81 81 SER CA C 81 60.713 60.713 58.758 1.955 25961 4582 1 10 . 1 1 81 81 SER H H 81 8.210 8.210 8.493 -0.283 25961 4583 1 10 . 1 1 82 82 ALA N N 82 123.546 123.546 124.032 -0.486 25961 4584 1 10 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.493 -0.147 25961 4585 1 10 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.575 -0.069 25961 4586 1 10 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.075 -0.980 25961 4587 1 10 . 1 1 82 82 ALA H H 82 7.770 7.770 7.384 0.386 25961 4588 1 10 . 1 1 83 83 SER N N 83 116.753 116.753 119.268 -2.515 25961 4589 1 10 . 1 1 83 83 SER HA H 83 5.129 5.129 5.280 -0.151 25961 4590 1 10 . 1 1 83 83 SER CA C 83 56.582 56.582 56.794 -0.212 25961 4591 1 10 . 1 1 83 83 SER CB C 83 62.554 62.554 63.798 -1.244 25961 4592 1 10 . 1 1 83 83 SER H H 83 8.524 8.524 8.580 -0.056 25961 4593 1 10 . 1 1 84 84 ILE N N 84 126.985 126.985 120.703 6.282 25961 4594 1 10 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.567 -2.781 25961 4595 1 10 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.239 -1.815 25961 4596 1 10 . 1 1 84 84 ILE H H 84 9.599 9.599 8.242 1.357 25961 4597 1 10 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.426 0.519 25961 4598 1 10 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.746 -1.192 25961 4599 1 10 . 1 1 85 85 PRO CB C 85 31.427 31.427 32.184 -0.757 25961 4600 1 10 . 1 1 86 86 VAL N N 86 123.811 123.811 121.787 2.024 25961 4601 1 10 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.168 0.681 25961 4602 1 10 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.541 -0.768 25961 4603 1 10 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.430 -0.786 25961 4604 1 10 . 1 1 86 86 VAL H H 86 9.033 9.033 7.792 1.241 25961 4605 1 10 . 1 1 87 87 VAL N N 87 127.839 127.839 125.026 2.813 25961 4606 1 10 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.133 0.839 25961 4607 1 10 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.611 -0.918 25961 4608 1 10 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.466 -0.048 25961 4609 1 10 . 1 1 87 87 VAL H H 87 9.132 9.132 8.029 1.103 25961 4610 1 10 . 1 1 88 88 PHE N N 88 127.301 127.301 126.974 0.327 25961 4611 1 10 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.302 0.316 25961 4612 1 10 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.528 -1.317 25961 4613 1 10 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.831 -1.829 25961 4614 1 10 . 1 1 88 88 PHE H H 88 9.248 9.248 7.986 1.262 25961 4615 1 10 . 1 1 89 89 SER N N 89 113.734 113.734 114.057 -0.323 25961 4616 1 10 . 1 1 89 89 SER HA H 89 5.336 5.336 5.351 -0.015 25961 4617 1 10 . 1 1 89 89 SER CA C 89 54.452 54.452 57.138 -2.686 25961 4618 1 10 . 1 1 89 89 SER CB C 89 64.474 64.474 66.308 -1.834 25961 4619 1 10 . 1 1 89 89 SER H H 89 9.689 9.689 8.296 1.393 25961 4620 1 10 . 1 1 90 90 ARG N N 90 128.114 128.114 123.925 4.189 25961 4621 1 10 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.611 0.136 25961 4622 1 10 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.535 -1.413 25961 4623 1 10 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.821 0.515 25961 4624 1 10 . 1 1 90 90 ARG H H 90 8.561 8.561 8.278 0.283 25961 4625 1 10 . 1 1 91 91 ASP N N 91 129.790 129.790 123.108 6.682 25961 4626 1 10 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.256 0.013 25961 4627 1 10 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.592 -1.091 25961 4628 1 10 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.305 -0.224 25961 4629 1 10 . 1 1 91 91 ASP H H 91 9.461 9.461 8.737 0.724 25961 4630 1 10 . 1 1 92 92 GLY N N 92 102.404 102.404 101.625 0.779 25961 4631 1 10 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.893 -0.588 25961 4632 1 10 . 1 1 92 92 GLY H H 92 8.391 8.391 8.060 0.331 25961 4633 1 10 . 1 1 93 93 VAL N N 93 123.090 123.090 122.287 0.803 25961 4634 1 10 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.922 0.080 25961 4635 1 10 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.302 -2.036 25961 4636 1 10 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.714 -0.896 25961 4637 1 10 . 1 1 93 93 VAL H H 93 7.682 7.682 7.302 0.380 25961 4638 1 10 . 1 1 94 94 VAL N N 94 128.414 128.414 126.834 1.580 25961 4639 1 10 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.331 -0.197 25961 4640 1 10 . 1 1 94 94 VAL CA C 94 62.340 62.340 62.000 0.340 25961 4641 1 10 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.168 -2.052 25961 4642 1 10 . 1 1 94 94 VAL H H 94 8.400 8.400 8.151 0.249 25961 4643 1 10 . 1 1 95 95 MET N N 95 129.196 129.196 128.229 0.967 25961 4644 1 10 . 1 1 95 95 MET HA H 95 4.352 4.352 4.971 -0.619 25961 4645 1 10 . 1 1 95 95 MET CA C 95 53.674 53.674 54.549 -0.875 25961 4646 1 10 . 1 1 95 95 MET CB C 95 36.104 36.104 36.829 -0.725 25961 4647 1 10 . 1 1 95 95 MET H H 95 9.100 9.100 8.575 0.525 25961 4648 1 10 . 1 1 96 96 SER N N 96 111.540 111.540 115.157 -3.617 25961 4649 1 10 . 1 1 96 96 SER HA H 96 5.469 5.469 4.992 0.477 25961 4650 1 10 . 1 1 96 96 SER CA C 96 55.830 55.830 57.403 -1.573 25961 4651 1 10 . 1 1 96 96 SER CB C 96 65.471 65.471 65.185 0.286 25961 4652 1 10 . 1 1 96 96 SER H H 96 8.004 8.004 8.375 -0.371 25961 4653 1 10 . 1 1 97 97 ALA N N 97 124.079 124.079 128.660 -4.581 25961 4654 1 10 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.736 0.052 25961 4655 1 10 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.031 -1.632 25961 4656 1 10 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.009 0.535 25961 4657 1 10 . 1 1 97 97 ALA H H 97 9.145 9.145 8.102 1.043 25961 4658 1 10 . 1 1 98 98 THR N N 98 117.342 117.342 117.767 -0.425 25961 4659 1 10 . 1 1 98 98 THR HA H 98 4.823 4.823 4.370 0.453 25961 4660 1 10 . 1 1 98 98 THR CA C 98 61.053 61.053 62.489 -1.436 25961 4661 1 10 . 1 1 98 98 THR CB C 98 69.913 69.913 68.749 1.164 25961 4662 1 10 . 1 1 98 98 THR H H 98 8.754 8.754 8.327 0.427 25961 4663 1 10 . 1 1 99 99 ILE N N 99 125.689 125.689 124.108 1.581 25961 4664 1 10 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.622 -0.511 25961 4665 1 10 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.210 -0.841 25961 4666 1 10 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.264 0.427 25961 4667 1 10 . 1 1 99 99 ILE H H 99 8.868 8.868 7.922 0.946 25961 4668 1 10 . 1 1 100 100 VAL N N 100 129.871 129.871 122.913 6.958 25961 4669 1 10 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.506 0.160 25961 4670 1 10 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.270 0.597 25961 4671 1 10 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.925 -2.315 25961 4672 1 10 . 1 1 100 100 VAL H H 100 8.818 8.818 8.386 0.432 25961 4673 1 10 . 1 1 101 101 VAL N N 101 128.299 128.299 127.338 0.961 25961 4674 1 10 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.276 -0.907 25961 4675 1 10 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.464 2.863 25961 4676 1 10 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.365 -2.391 25961 4677 1 10 . 1 1 101 101 VAL H H 101 8.795 8.795 7.840 0.955 25961 4678 1 10 . 1 1 102 102 GLY N N 102 115.466 115.466 113.258 2.208 25961 4679 1 10 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.356 -0.676 25961 4680 1 10 . 1 1 102 102 GLY H H 102 8.393 8.393 8.675 -0.282 25961 4681 1 10 . 1 1 103 103 GLU N N 103 119.459 119.459 124.498 -5.039 25961 4682 1 10 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.328 0.627 25961 4683 1 10 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.617 -2.871 25961 4684 1 10 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.902 1.299 25961 4685 1 10 . 1 1 103 103 GLU H H 103 8.386 8.386 8.117 0.269 25961 4686 1 10 . 1 1 104 104 LEU N N 104 123.881 123.881 118.180 5.701 25961 4687 1 10 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.475 0.225 25961 4688 1 10 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.026 -1.459 25961 4689 1 10 . 1 1 104 104 LEU CB C 104 44.058 44.058 44.877 -0.819 25961 4690 1 10 . 1 1 104 104 LEU H H 104 8.735 8.735 7.532 1.203 25961 4691 1 11 . 1 1 2 2 LEU N N 2 122.611 122.611 118.407 4.204 25961 4692 1 11 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.717 -0.325 25961 4693 1 11 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.976 -0.644 25961 4694 1 11 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.566 -4.248 25961 4695 1 11 . 1 1 2 2 LEU H H 2 8.535 8.535 8.358 0.177 25961 4696 1 11 . 1 1 3 3 THR N N 3 112.475 112.475 115.526 -3.051 25961 4697 1 11 . 1 1 3 3 THR HA H 3 4.777 4.777 4.697 0.080 25961 4698 1 11 . 1 1 3 3 THR CA C 3 59.259 59.259 60.122 -0.863 25961 4699 1 11 . 1 1 3 3 THR CB C 3 70.185 70.185 70.478 -0.293 25961 4700 1 11 . 1 1 3 3 THR H H 3 7.903 7.903 8.429 -0.526 25961 4701 1 11 . 1 1 4 4 ARG N N 4 120.183 120.183 122.117 -1.934 25961 4702 1 11 . 1 1 4 4 ARG H H 4 8.809 8.809 8.447 0.362 25961 4703 1 11 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.599 -0.227 25961 4704 1 11 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.253 1.764 25961 4705 1 11 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.529 1.058 25961 4706 1 11 . 1 1 6 6 TYR N N 6 120.727 120.727 123.719 -2.992 25961 4707 1 11 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.715 -0.081 25961 4708 1 11 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.473 -1.397 25961 4709 1 11 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.303 -0.249 25961 4710 1 11 . 1 1 6 6 TYR H H 6 7.530 7.530 8.173 -0.643 25961 4711 1 11 . 1 1 7 7 LEU N N 7 126.575 126.575 123.255 3.320 25961 4712 1 11 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.526 -0.119 25961 4713 1 11 . 1 1 7 7 LEU H H 7 8.500 8.500 8.031 0.469 25961 4714 1 11 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.053 0.654 25961 4715 1 11 . 1 1 9 9 PHE N N 9 114.612 114.612 116.700 -2.088 25961 4716 1 11 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.839 0.519 25961 4717 1 11 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.315 -1.053 25961 4718 1 11 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.691 -1.237 25961 4719 1 11 . 1 1 9 9 PHE H H 9 7.102 7.102 7.466 -0.364 25961 4720 1 11 . 1 1 10 10 ARG N N 10 117.800 117.800 120.927 -3.127 25961 4721 1 11 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.553 0.118 25961 4722 1 11 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.075 -1.676 25961 4723 1 11 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.567 1.248 25961 4724 1 11 . 1 1 10 10 ARG H H 10 8.206 8.206 8.485 -0.279 25961 4725 1 11 . 1 1 11 11 VAL N N 11 117.216 117.216 122.490 -5.274 25961 4726 1 11 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.803 0.364 25961 4727 1 11 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.051 -1.861 25961 4728 1 11 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.729 -0.854 25961 4729 1 11 . 1 1 11 11 VAL H H 11 8.601 8.601 8.416 0.185 25961 4730 1 11 . 1 1 12 12 ALA N N 12 123.025 123.025 131.753 -8.728 25961 4731 1 11 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.809 -0.229 25961 4732 1 11 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.810 -1.267 25961 4733 1 11 . 1 1 12 12 ALA CB C 12 21.782 21.782 21.017 0.765 25961 4734 1 11 . 1 1 12 12 ALA H H 12 8.861 8.861 8.156 0.705 25961 4735 1 11 . 1 1 13 13 VAL N N 13 121.395 121.395 123.164 -1.769 25961 4736 1 11 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.003 0.548 25961 4737 1 11 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.386 -1.103 25961 4738 1 11 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.384 -0.690 25961 4739 1 11 . 1 1 13 13 VAL H H 13 8.585 8.585 8.693 -0.108 25961 4740 1 11 . 1 1 14 14 GLY N N 14 117.546 117.546 115.961 1.585 25961 4741 1 11 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.382 -1.998 25961 4742 1 11 . 1 1 14 14 GLY H H 14 8.789 8.789 8.265 0.524 25961 4743 1 11 . 1 1 15 15 ARG N N 15 120.075 120.075 120.289 -0.214 25961 4744 1 11 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.686 0.424 25961 4745 1 11 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.051 -1.158 25961 4746 1 11 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.312 0.444 25961 4747 1 11 . 1 1 15 15 ARG H H 15 8.299 8.299 8.400 -0.101 25961 4748 1 11 . 1 1 16 16 ASP N N 16 123.872 123.872 121.344 2.528 25961 4749 1 11 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.819 -0.074 25961 4750 1 11 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.078 -1.707 25961 4751 1 11 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.324 -1.572 25961 4752 1 11 . 1 1 16 16 ASP H H 16 8.619 8.619 8.443 0.176 25961 4753 1 11 . 1 1 17 17 SER N N 17 114.309 114.309 114.818 -0.509 25961 4754 1 11 . 1 1 17 17 SER HA H 17 4.196 4.196 4.285 -0.089 25961 4755 1 11 . 1 1 17 17 SER CA C 17 59.950 59.950 60.525 -0.575 25961 4756 1 11 . 1 1 17 17 SER CB C 17 61.825 61.825 63.550 -1.725 25961 4757 1 11 . 1 1 17 17 SER H H 17 8.624 8.624 8.542 0.082 25961 4758 1 11 . 1 1 18 18 SER N N 18 117.903 117.903 117.030 0.873 25961 4759 1 11 . 1 1 18 18 SER HA H 18 4.597 4.597 4.381 0.216 25961 4760 1 11 . 1 1 18 18 SER CA C 18 57.732 57.732 60.364 -2.632 25961 4761 1 11 . 1 1 18 18 SER CB C 18 63.470 63.470 63.391 0.079 25961 4762 1 11 . 1 1 18 18 SER H H 18 8.385 8.385 7.876 0.509 25961 4763 1 11 . 1 1 19 19 GLY N N 19 109.883 109.883 108.120 1.763 25961 4764 1 11 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.975 -0.804 25961 4765 1 11 . 1 1 19 19 GLY H H 19 8.214 8.214 8.150 0.064 25961 4766 1 11 . 1 1 20 20 CYS N N 20 122.167 122.167 117.722 4.445 25961 4767 1 11 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.600 -0.112 25961 4768 1 11 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.942 0.095 25961 4769 1 11 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.364 -1.679 25961 4770 1 11 . 1 1 20 20 CYS H H 20 8.286 8.286 8.113 0.173 25961 4771 1 11 . 1 1 21 21 THR N N 21 119.387 119.387 115.581 3.806 25961 4772 1 11 . 1 1 21 21 THR HA H 21 4.764 4.764 3.905 0.859 25961 4773 1 11 . 1 1 21 21 THR CA C 21 61.953 61.953 63.409 -1.456 25961 4774 1 11 . 1 1 21 21 THR CB C 21 68.795 68.795 67.938 0.857 25961 4775 1 11 . 1 1 21 21 THR H H 21 8.626 8.626 8.046 0.580 25961 4776 1 11 . 1 1 22 22 THR N N 22 116.611 116.611 115.586 1.025 25961 4777 1 11 . 1 1 22 22 THR HA H 22 4.513 4.513 4.755 -0.242 25961 4778 1 11 . 1 1 22 22 THR CA C 22 58.918 58.918 59.908 -0.991 25961 4779 1 11 . 1 1 22 22 THR CB C 22 71.128 71.128 70.574 0.554 25961 4780 1 11 . 1 1 22 22 THR H H 22 8.343 8.343 8.017 0.326 25961 4781 1 11 . 1 1 23 23 LEU N N 23 122.893 122.893 123.520 -0.627 25961 4782 1 11 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.840 0.092 25961 4783 1 11 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.064 -1.577 25961 4784 1 11 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.405 -2.140 25961 4785 1 11 . 1 1 23 23 LEU H H 23 9.157 9.157 8.573 0.584 25961 4786 1 11 . 1 1 24 24 SER N N 24 116.771 116.771 114.800 1.971 25961 4787 1 11 . 1 1 24 24 SER HA H 24 5.173 5.173 4.655 0.518 25961 4788 1 11 . 1 1 24 24 SER CA C 24 55.247 55.247 56.715 -1.468 25961 4789 1 11 . 1 1 24 24 SER CB C 24 64.841 64.841 64.618 0.223 25961 4790 1 11 . 1 1 24 24 SER H H 24 8.656 8.656 7.870 0.786 25961 4791 1 11 . 1 1 25 25 ILE N N 25 122.747 122.747 125.419 -2.672 25961 4792 1 11 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.688 -0.657 25961 4793 1 11 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.291 1.979 25961 4794 1 11 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.402 -2.753 25961 4795 1 11 . 1 1 25 25 ILE H H 25 9.023 9.023 8.064 0.959 25961 4796 1 11 . 1 1 26 26 GLN N N 26 129.779 129.779 125.342 4.437 25961 4797 1 11 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.362 0.067 25961 4798 1 11 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.828 -3.241 25961 4799 1 11 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.958 0.318 25961 4800 1 11 . 1 1 26 26 GLN H H 26 9.093 9.093 8.561 0.532 25961 4801 1 11 . 1 1 27 27 GLU N N 27 118.722 118.722 117.854 0.868 25961 4802 1 11 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.907 0.057 25961 4803 1 11 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.956 0.066 25961 4804 1 11 . 1 1 27 27 GLU H H 27 7.479 7.479 7.971 -0.492 25961 4805 1 11 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.397 0.046 25961 4806 1 11 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.706 0.449 25961 4807 1 11 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.491 1.189 25961 4808 1 11 . 1 1 29 29 THR N N 29 124.459 124.459 117.042 7.417 25961 4809 1 11 . 1 1 29 29 THR HA H 29 4.183 4.183 4.533 -0.350 25961 4810 1 11 . 1 1 29 29 THR CA C 29 62.474 62.474 61.993 0.481 25961 4811 1 11 . 1 1 29 29 THR CB C 29 68.811 68.811 69.243 -0.432 25961 4812 1 11 . 1 1 29 29 THR H H 29 8.009 8.009 8.405 -0.396 25961 4813 1 11 . 1 1 30 30 GLN N N 30 130.053 130.053 119.017 11.036 25961 4814 1 11 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.384 -0.862 25961 4815 1 11 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.040 1.846 25961 4816 1 11 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.763 -0.458 25961 4817 1 11 . 1 1 30 30 GLN H H 30 9.321 9.321 8.265 1.056 25961 4818 1 11 . 1 1 31 31 THR N N 31 111.234 111.234 107.376 3.858 25961 4819 1 11 . 1 1 31 31 THR HA H 31 5.509 5.509 4.599 0.910 25961 4820 1 11 . 1 1 31 31 THR CA C 31 58.798 58.798 61.305 -2.507 25961 4821 1 11 . 1 1 31 31 THR CB C 31 71.374 71.374 69.316 2.058 25961 4822 1 11 . 1 1 31 31 THR H H 31 7.630 7.630 7.722 -0.092 25961 4823 1 11 . 1 1 32 32 TYR N N 32 121.998 121.998 120.817 1.181 25961 4824 1 11 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.750 0.053 25961 4825 1 11 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.691 -2.892 25961 4826 1 11 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.379 -2.661 25961 4827 1 11 . 1 1 32 32 TYR H H 32 9.359 9.359 7.424 1.935 25961 4828 1 11 . 1 1 33 33 THR N N 33 114.039 114.039 115.667 -1.628 25961 4829 1 11 . 1 1 33 33 THR HA H 33 4.390 4.390 4.645 -0.255 25961 4830 1 11 . 1 1 33 33 THR CA C 33 59.896 59.896 61.304 -1.408 25961 4831 1 11 . 1 1 33 33 THR CB C 33 69.135 69.135 72.008 -2.873 25961 4832 1 11 . 1 1 33 33 THR H H 33 7.985 7.985 7.880 0.105 25961 4833 1 11 . 1 1 34 34 GLY N N 34 113.445 113.445 109.560 3.885 25961 4834 1 11 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.719 -1.647 25961 4835 1 11 . 1 1 34 34 GLY H H 34 8.698 8.698 8.625 0.073 25961 4836 1 11 . 1 1 35 35 SER N N 35 113.837 113.837 116.821 -2.984 25961 4837 1 11 . 1 1 35 35 SER HA H 35 4.264 4.264 4.548 -0.284 25961 4838 1 11 . 1 1 35 35 SER CA C 35 57.651 57.651 57.841 -0.190 25961 4839 1 11 . 1 1 35 35 SER CB C 35 63.056 63.056 64.394 -1.339 25961 4840 1 11 . 1 1 35 35 SER H H 35 8.039 8.039 7.963 0.076 25961 4841 1 11 . 1 1 36 36 ASN N N 36 119.749 119.749 122.372 -2.623 25961 4842 1 11 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.438 0.146 25961 4843 1 11 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.067 -1.286 25961 4844 1 11 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.045 -0.860 25961 4845 1 11 . 1 1 36 36 ASN H H 36 8.767 8.767 9.092 -0.325 25961 4846 1 11 . 1 1 37 37 GLY N N 37 110.628 110.628 104.312 6.316 25961 4847 1 11 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.476 -0.891 25961 4848 1 11 . 1 1 37 37 GLY H H 37 8.496 8.496 7.870 0.626 25961 4849 1 11 . 1 1 38 38 GLY N N 38 108.654 108.654 109.409 -0.755 25961 4850 1 11 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.463 -1.363 25961 4851 1 11 . 1 1 38 38 GLY H H 38 7.955 7.955 8.207 -0.252 25961 4852 1 11 . 1 1 39 39 ALA N N 39 123.326 123.326 124.224 -0.898 25961 4853 1 11 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.247 -0.036 25961 4854 1 11 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.181 -0.343 25961 4855 1 11 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.634 -1.905 25961 4856 1 11 . 1 1 39 39 ALA H H 39 8.028 8.028 7.603 0.425 25961 4857 1 11 . 1 1 40 40 ASP N N 40 119.573 119.573 120.749 -1.176 25961 4858 1 11 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.536 -0.149 25961 4859 1 11 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.506 0.488 25961 4860 1 11 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.520 -0.893 25961 4861 1 11 . 1 1 40 40 ASP H H 40 8.261 8.261 8.129 0.132 25961 4862 1 11 . 1 1 41 41 LEU N N 41 123.899 123.899 122.613 1.286 25961 4863 1 11 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.587 -0.145 25961 4864 1 11 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.561 -2.340 25961 4865 1 11 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.678 -2.669 25961 4866 1 11 . 1 1 41 41 LEU H H 41 8.663 8.663 7.916 0.747 25961 4867 1 11 . 1 1 42 42 MET N N 42 119.684 119.684 117.603 2.081 25961 4868 1 11 . 1 1 42 42 MET HA H 42 4.730 4.730 4.847 -0.117 25961 4869 1 11 . 1 1 42 42 MET CA C 42 54.695 54.695 55.313 -0.618 25961 4870 1 11 . 1 1 42 42 MET CB C 42 32.194 32.194 33.417 -1.223 25961 4871 1 11 . 1 1 42 42 MET H H 42 8.553 8.553 8.342 0.211 25961 4872 1 11 . 1 1 43 43 GLY N N 43 113.052 113.052 110.575 2.477 25961 4873 1 11 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.608 -3.230 25961 4874 1 11 . 1 1 43 43 GLY H H 43 8.618 8.618 8.763 -0.145 25961 4875 1 11 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.476 0.244 25961 4876 1 11 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.556 -3.325 25961 4877 1 11 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.478 0.475 25961 4878 1 11 . 1 1 45 45 ALA N N 45 120.693 120.693 122.318 -1.625 25961 4879 1 11 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.131 -0.147 25961 4880 1 11 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.656 -0.852 25961 4881 1 11 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.328 -0.361 25961 4882 1 11 . 1 1 45 45 ALA H H 45 7.524 7.524 8.179 -0.655 25961 4883 1 11 . 1 1 46 46 PHE N N 46 122.306 122.306 117.190 5.116 25961 4884 1 11 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.239 -0.277 25961 4885 1 11 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.796 -0.470 25961 4886 1 11 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.815 -0.195 25961 4887 1 11 . 1 1 46 46 PHE H H 46 8.603 8.603 7.931 0.672 25961 4888 1 11 . 1 1 47 47 ALA N N 47 123.253 123.253 121.069 2.184 25961 4889 1 11 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.208 -0.120 25961 4890 1 11 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.345 -0.394 25961 4891 1 11 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.397 -0.750 25961 4892 1 11 . 1 1 47 47 ALA H H 47 9.199 9.199 7.742 1.457 25961 4893 1 11 . 1 1 48 48 ALA N N 48 117.571 117.571 119.323 -1.752 25961 4894 1 11 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.353 -0.050 25961 4895 1 11 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.694 -0.007 25961 4896 1 11 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.198 -1.427 25961 4897 1 11 . 1 1 48 48 ALA H H 48 7.262 7.262 7.304 -0.042 25961 4898 1 11 . 1 1 49 49 GLY N N 49 103.229 103.229 107.916 -4.687 25961 4899 1 11 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.891 -1.272 25961 4900 1 11 . 1 1 49 49 GLY H H 49 7.461 7.461 7.916 -0.455 25961 4901 1 11 . 1 1 50 50 LEU N N 50 120.470 120.470 121.761 -1.291 25961 4902 1 11 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.169 -0.651 25961 4903 1 11 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.613 -1.201 25961 4904 1 11 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.145 -0.190 25961 4905 1 11 . 1 1 50 50 LEU H H 50 7.224 7.224 7.798 -0.574 25961 4906 1 11 . 1 1 51 51 ARG N N 51 119.645 119.645 123.030 -3.385 25961 4907 1 11 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.282 -1.791 25961 4908 1 11 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.893 -1.077 25961 4909 1 11 . 1 1 51 51 ARG H H 51 8.678 8.678 8.277 0.401 25961 4910 1 11 . 1 1 52 52 VAL N N 52 119.995 119.995 119.750 0.245 25961 4911 1 11 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.681 -0.458 25961 4912 1 11 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.780 0.438 25961 4913 1 11 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.384 -1.235 25961 4914 1 11 . 1 1 52 52 VAL H H 52 8.482 8.482 8.428 0.054 25961 4915 1 11 . 1 1 53 53 GLY N N 53 117.052 117.052 115.565 1.487 25961 4916 1 11 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.804 -1.379 25961 4917 1 11 . 1 1 53 53 GLY H H 53 9.122 9.122 8.524 0.598 25961 4918 1 11 . 1 1 54 54 ASP N N 54 124.203 124.203 123.277 0.926 25961 4919 1 11 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.885 -0.052 25961 4920 1 11 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.991 -0.257 25961 4921 1 11 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.163 -1.885 25961 4922 1 11 . 1 1 54 54 ASP H H 54 7.848 7.848 7.655 0.193 25961 4923 1 11 . 1 1 55 55 GLN N N 55 121.703 121.703 118.939 2.764 25961 4924 1 11 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.413 0.454 25961 4925 1 11 . 1 1 55 55 GLN CA C 55 53.526 53.526 54.874 -1.348 25961 4926 1 11 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.945 -1.913 25961 4927 1 11 . 1 1 55 55 GLN H H 55 9.158 9.158 7.853 1.305 25961 4928 1 11 . 1 1 56 56 LEU N N 56 124.733 124.733 119.531 5.202 25961 4929 1 11 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.217 -0.030 25961 4930 1 11 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.566 1.629 25961 4931 1 11 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.621 -0.608 25961 4932 1 11 . 1 1 56 56 LEU H H 56 8.770 8.770 8.205 0.565 25961 4933 1 11 . 1 1 57 57 VAL N N 57 123.383 123.383 117.664 5.719 25961 4934 1 11 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.438 -0.130 25961 4935 1 11 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.934 1.209 25961 4936 1 11 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.856 -1.221 25961 4937 1 11 . 1 1 57 57 VAL H H 57 8.889 8.889 7.842 1.047 25961 4938 1 11 . 1 1 58 58 ARG N N 58 118.094 118.094 117.894 0.200 25961 4939 1 11 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.013 1.325 25961 4940 1 11 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.396 -3.184 25961 4941 1 11 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.433 6.180 25961 4942 1 11 . 1 1 58 58 ARG H H 58 8.531 8.531 7.808 0.723 25961 4943 1 11 . 1 1 59 59 PHE N N 59 123.332 123.332 116.981 6.351 25961 4944 1 11 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.645 0.290 25961 4945 1 11 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.785 1.071 25961 4946 1 11 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.926 1.045 25961 4947 1 11 . 1 1 59 59 PHE H H 59 9.295 9.295 7.676 1.619 25961 4948 1 11 . 1 1 60 60 ALA N N 60 127.537 127.537 127.498 0.039 25961 4949 1 11 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.156 -0.569 25961 4950 1 11 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.455 -0.081 25961 4951 1 11 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.157 -1.684 25961 4952 1 11 . 1 1 60 60 ALA H H 60 8.356 8.356 7.755 0.601 25961 4953 1 11 . 1 1 61 61 GLY N N 61 103.058 103.058 110.593 -7.535 25961 4954 1 11 . 1 1 61 61 GLY CA C 61 43.787 43.787 45.030 -1.243 25961 4955 1 11 . 1 1 61 61 GLY H H 61 9.178 9.178 7.865 1.313 25961 4956 1 11 . 1 1 62 62 TYR N N 62 120.218 120.218 117.089 3.129 25961 4957 1 11 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.110 0.520 25961 4958 1 11 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.355 -1.778 25961 4959 1 11 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.447 3.445 25961 4960 1 11 . 1 1 62 62 TYR H H 62 7.888 7.888 7.727 0.161 25961 4961 1 11 . 1 1 63 63 THR N N 63 120.933 120.933 112.110 8.823 25961 4962 1 11 . 1 1 63 63 THR HA H 63 4.479 4.479 5.077 -0.598 25961 4963 1 11 . 1 1 63 63 THR CA C 63 62.851 62.851 60.534 2.317 25961 4964 1 11 . 1 1 63 63 THR CB C 63 67.848 67.848 72.081 -4.233 25961 4965 1 11 . 1 1 63 63 THR H H 63 9.108 9.108 7.784 1.324 25961 4966 1 11 . 1 1 64 64 VAL N N 64 121.039 121.039 123.274 -2.235 25961 4967 1 11 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.442 0.157 25961 4968 1 11 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.805 -1.938 25961 4969 1 11 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.279 -2.275 25961 4970 1 11 . 1 1 64 64 VAL H H 64 7.782 7.782 8.130 -0.348 25961 4971 1 11 . 1 1 65 65 THR N N 65 114.373 114.373 115.115 -0.742 25961 4972 1 11 . 1 1 65 65 THR HA H 65 4.452 4.452 4.380 0.072 25961 4973 1 11 . 1 1 65 65 THR CA C 65 60.536 60.536 62.516 -1.980 25961 4974 1 11 . 1 1 65 65 THR CB C 65 69.037 69.037 69.592 -0.555 25961 4975 1 11 . 1 1 65 65 THR H H 65 9.053 9.053 8.337 0.716 25961 4976 1 11 . 1 1 66 66 GLU N N 66 115.766 115.766 119.361 -3.595 25961 4977 1 11 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.344 0.219 25961 4978 1 11 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.757 -2.370 25961 4979 1 11 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.493 1.072 25961 4980 1 11 . 1 1 66 66 GLU H H 66 7.345 7.345 7.895 -0.550 25961 4981 1 11 . 1 1 67 67 LEU N N 67 124.674 124.674 116.519 8.155 25961 4982 1 11 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.437 -0.503 25961 4983 1 11 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.675 -0.140 25961 4984 1 11 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.008 0.045 25961 4985 1 11 . 1 1 67 67 LEU H H 67 8.906 8.906 8.638 0.268 25961 4986 1 11 . 1 1 68 68 ALA N N 68 120.493 120.493 121.292 -0.799 25961 4987 1 11 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.109 0.027 25961 4988 1 11 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.608 0.066 25961 4989 1 11 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.914 -1.393 25961 4990 1 11 . 1 1 68 68 ALA H H 68 9.022 9.022 8.077 0.945 25961 4991 1 11 . 1 1 69 69 ALA N N 69 119.695 119.695 122.962 -3.267 25961 4992 1 11 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.186 -0.024 25961 4993 1 11 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.394 -0.374 25961 4994 1 11 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.529 -0.866 25961 4995 1 11 . 1 1 69 69 ALA H H 69 7.258 7.258 7.685 -0.427 25961 4996 1 11 . 1 1 70 70 PHE N N 70 119.274 119.274 118.314 0.960 25961 4997 1 11 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.252 -0.293 25961 4998 1 11 . 1 1 70 70 PHE CA C 70 60.960 60.960 58.908 2.052 25961 4999 1 11 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.120 -0.688 25961 5000 1 11 . 1 1 70 70 PHE H H 70 7.769 7.769 8.008 -0.239 25961 5001 1 11 . 1 1 71 71 ASN N N 71 117.363 117.363 117.287 0.076 25961 5002 1 11 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.268 -0.166 25961 5003 1 11 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.452 -1.755 25961 5004 1 11 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.935 -2.862 25961 5005 1 11 . 1 1 71 71 ASN H H 71 8.801 8.801 7.836 0.965 25961 5006 1 11 . 1 1 72 72 THR N N 72 119.746 119.746 115.682 4.064 25961 5007 1 11 . 1 1 72 72 THR HA H 72 4.220 4.220 4.064 0.156 25961 5008 1 11 . 1 1 72 72 THR CA C 72 65.927 65.927 66.066 -0.139 25961 5009 1 11 . 1 1 72 72 THR CB C 72 67.600 67.600 69.031 -1.431 25961 5010 1 11 . 1 1 72 72 THR H H 72 8.109 8.109 7.647 0.462 25961 5011 1 11 . 1 1 73 73 VAL N N 73 123.156 123.156 119.759 3.397 25961 5012 1 11 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.866 -0.411 25961 5013 1 11 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.917 0.239 25961 5014 1 11 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.375 -1.039 25961 5015 1 11 . 1 1 73 73 VAL H H 73 7.744 7.744 7.552 0.192 25961 5016 1 11 . 1 1 74 74 VAL N N 74 120.420 120.420 121.399 -0.979 25961 5017 1 11 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.799 -0.433 25961 5018 1 11 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.373 0.225 25961 5019 1 11 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.134 -0.649 25961 5020 1 11 . 1 1 74 74 VAL H H 74 8.154 8.154 8.013 0.141 25961 5021 1 11 . 1 1 75 75 ALA N N 75 120.206 120.206 122.730 -2.524 25961 5022 1 11 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.024 -0.029 25961 5023 1 11 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.113 -1.114 25961 5024 1 11 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.277 -1.313 25961 5025 1 11 . 1 1 75 75 ALA H H 75 7.788 7.788 7.615 0.173 25961 5026 1 11 . 1 1 76 76 ARG N N 76 114.701 114.701 116.933 -2.232 25961 5027 1 11 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.289 -0.204 25961 5028 1 11 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.031 -0.049 25961 5029 1 11 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.271 0.413 25961 5030 1 11 . 1 1 76 76 ARG H H 76 7.705 7.705 7.748 -0.043 25961 5031 1 11 . 1 1 77 77 HIS N N 77 112.695 112.695 118.145 -5.450 25961 5032 1 11 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.468 0.342 25961 5033 1 11 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.992 -0.831 25961 5034 1 11 . 1 1 77 77 HIS CB C 77 31.033 31.033 31.188 -0.155 25961 5035 1 11 . 1 1 77 77 HIS H H 77 8.123 8.123 7.840 0.283 25961 5036 1 11 . 1 1 78 78 VAL N N 78 119.219 119.219 116.855 2.364 25961 5037 1 11 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.760 0.133 25961 5038 1 11 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.801 -0.236 25961 5039 1 11 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.411 -1.283 25961 5040 1 11 . 1 1 78 78 VAL H H 78 8.034 8.034 7.957 0.077 25961 5041 1 11 . 1 1 79 79 ARG N N 79 126.908 126.908 126.318 0.590 25961 5042 1 11 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.995 -1.634 25961 5043 1 11 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.941 -3.750 25961 5044 1 11 . 1 1 79 79 ARG H H 79 7.023 7.023 7.927 -0.904 25961 5045 1 11 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.462 -0.437 25961 5046 1 11 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.492 0.078 25961 5047 1 11 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.904 0.308 25961 5048 1 11 . 1 1 81 81 SER N N 81 115.039 115.039 117.261 -2.222 25961 5049 1 11 . 1 1 81 81 SER HA H 81 4.047 4.047 4.009 0.038 25961 5050 1 11 . 1 1 81 81 SER CA C 81 60.713 60.713 58.473 2.240 25961 5051 1 11 . 1 1 81 81 SER H H 81 8.210 8.210 8.513 -0.303 25961 5052 1 11 . 1 1 82 82 ALA N N 82 123.546 123.546 123.556 -0.010 25961 5053 1 11 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.437 -0.091 25961 5054 1 11 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.544 -0.038 25961 5055 1 11 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.475 -0.380 25961 5056 1 11 . 1 1 82 82 ALA H H 82 7.770 7.770 7.477 0.293 25961 5057 1 11 . 1 1 83 83 SER N N 83 116.753 116.753 120.425 -3.672 25961 5058 1 11 . 1 1 83 83 SER HA H 83 5.129 5.129 4.635 0.494 25961 5059 1 11 . 1 1 83 83 SER CA C 83 56.582 56.582 58.312 -1.730 25961 5060 1 11 . 1 1 83 83 SER CB C 83 62.554 62.554 63.439 -0.885 25961 5061 1 11 . 1 1 83 83 SER H H 83 8.524 8.524 8.562 -0.038 25961 5062 1 11 . 1 1 84 84 ILE N N 84 126.985 126.985 126.825 0.160 25961 5063 1 11 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.779 -2.993 25961 5064 1 11 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.918 -2.494 25961 5065 1 11 . 1 1 84 84 ILE H H 84 9.599 9.599 8.061 1.538 25961 5066 1 11 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.466 0.479 25961 5067 1 11 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.546 -0.992 25961 5068 1 11 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.656 -0.229 25961 5069 1 11 . 1 1 86 86 VAL N N 86 123.811 123.811 124.893 -1.082 25961 5070 1 11 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.364 0.485 25961 5071 1 11 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.960 -1.187 25961 5072 1 11 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.116 -0.472 25961 5073 1 11 . 1 1 86 86 VAL H H 86 9.033 9.033 8.144 0.889 25961 5074 1 11 . 1 1 87 87 VAL N N 87 127.839 127.839 124.624 3.215 25961 5075 1 11 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.372 0.600 25961 5076 1 11 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.433 -1.740 25961 5077 1 11 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.010 0.408 25961 5078 1 11 . 1 1 87 87 VAL H H 87 9.132 9.132 8.732 0.400 25961 5079 1 11 . 1 1 88 88 PHE N N 88 127.301 127.301 127.621 -0.320 25961 5080 1 11 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.047 0.571 25961 5081 1 11 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.443 -2.232 25961 5082 1 11 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.730 -2.728 25961 5083 1 11 . 1 1 88 88 PHE H H 88 9.248 9.248 8.248 1.000 25961 5084 1 11 . 1 1 89 89 SER N N 89 113.734 113.734 114.628 -0.894 25961 5085 1 11 . 1 1 89 89 SER HA H 89 5.336 5.336 5.199 0.137 25961 5086 1 11 . 1 1 89 89 SER CA C 89 54.452 54.452 56.816 -2.364 25961 5087 1 11 . 1 1 89 89 SER CB C 89 64.474 64.474 66.226 -1.752 25961 5088 1 11 . 1 1 89 89 SER H H 89 9.689 9.689 8.059 1.630 25961 5089 1 11 . 1 1 90 90 ARG N N 90 128.114 128.114 124.158 3.956 25961 5090 1 11 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.469 0.278 25961 5091 1 11 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.343 -1.221 25961 5092 1 11 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.948 1.388 25961 5093 1 11 . 1 1 90 90 ARG H H 90 8.561 8.561 8.303 0.258 25961 5094 1 11 . 1 1 91 91 ASP N N 91 129.790 129.790 121.773 8.017 25961 5095 1 11 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.456 -0.187 25961 5096 1 11 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.411 -0.910 25961 5097 1 11 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.289 -0.208 25961 5098 1 11 . 1 1 91 91 ASP H H 91 9.461 9.461 9.035 0.426 25961 5099 1 11 . 1 1 92 92 GLY N N 92 102.404 102.404 102.775 -0.371 25961 5100 1 11 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.053 -0.748 25961 5101 1 11 . 1 1 92 92 GLY H H 92 8.391 8.391 8.215 0.176 25961 5102 1 11 . 1 1 93 93 VAL N N 93 123.090 123.090 119.611 3.479 25961 5103 1 11 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.082 -0.080 25961 5104 1 11 . 1 1 93 93 VAL CA C 93 61.266 61.266 61.267 -0.002 25961 5105 1 11 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.558 -1.740 25961 5106 1 11 . 1 1 93 93 VAL H H 93 7.682 7.682 7.578 0.104 25961 5107 1 11 . 1 1 94 94 VAL N N 94 128.414 128.414 125.959 2.455 25961 5108 1 11 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.776 0.358 25961 5109 1 11 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.910 0.430 25961 5110 1 11 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.040 -1.924 25961 5111 1 11 . 1 1 94 94 VAL H H 94 8.400 8.400 8.283 0.117 25961 5112 1 11 . 1 1 95 95 MET N N 95 129.196 129.196 129.489 -0.293 25961 5113 1 11 . 1 1 95 95 MET HA H 95 4.352 4.352 4.903 -0.551 25961 5114 1 11 . 1 1 95 95 MET CA C 95 53.674 53.674 54.827 -1.153 25961 5115 1 11 . 1 1 95 95 MET CB C 95 36.104 36.104 36.421 -0.317 25961 5116 1 11 . 1 1 95 95 MET H H 95 9.100 9.100 8.427 0.673 25961 5117 1 11 . 1 1 96 96 SER N N 96 111.540 111.540 117.931 -6.391 25961 5118 1 11 . 1 1 96 96 SER HA H 96 5.469 5.469 5.020 0.449 25961 5119 1 11 . 1 1 96 96 SER CA C 96 55.830 55.830 57.360 -1.530 25961 5120 1 11 . 1 1 96 96 SER CB C 96 65.471 65.471 65.038 0.433 25961 5121 1 11 . 1 1 96 96 SER H H 96 8.004 8.004 8.354 -0.350 25961 5122 1 11 . 1 1 97 97 ALA N N 97 124.079 124.079 128.814 -4.735 25961 5123 1 11 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.747 0.041 25961 5124 1 11 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.994 -1.595 25961 5125 1 11 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.150 0.394 25961 5126 1 11 . 1 1 97 97 ALA H H 97 9.145 9.145 8.232 0.913 25961 5127 1 11 . 1 1 98 98 THR N N 98 117.342 117.342 119.152 -1.810 25961 5128 1 11 . 1 1 98 98 THR HA H 98 4.823 4.823 4.307 0.516 25961 5129 1 11 . 1 1 98 98 THR CA C 98 61.053 61.053 62.911 -1.859 25961 5130 1 11 . 1 1 98 98 THR CB C 98 69.913 69.913 69.066 0.847 25961 5131 1 11 . 1 1 98 98 THR H H 98 8.754 8.754 8.383 0.371 25961 5132 1 11 . 1 1 99 99 ILE N N 99 125.689 125.689 127.396 -1.707 25961 5133 1 11 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.354 -0.243 25961 5134 1 11 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.605 -1.236 25961 5135 1 11 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.755 -1.064 25961 5136 1 11 . 1 1 99 99 ILE H H 99 8.868 8.868 7.899 0.969 25961 5137 1 11 . 1 1 100 100 VAL N N 100 129.871 129.871 128.122 1.749 25961 5138 1 11 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.424 0.242 25961 5139 1 11 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.961 -0.094 25961 5140 1 11 . 1 1 100 100 VAL CB C 100 29.610 29.610 33.290 -3.680 25961 5141 1 11 . 1 1 100 100 VAL H H 100 8.818 8.818 8.543 0.275 25961 5142 1 11 . 1 1 101 101 VAL N N 101 128.299 128.299 130.171 -1.872 25961 5143 1 11 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.286 -0.917 25961 5144 1 11 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.936 3.391 25961 5145 1 11 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.161 -1.188 25961 5146 1 11 . 1 1 101 101 VAL H H 101 8.795 8.795 7.957 0.838 25961 5147 1 11 . 1 1 102 102 GLY N N 102 115.466 115.466 114.535 0.931 25961 5148 1 11 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.049 -0.369 25961 5149 1 11 . 1 1 102 102 GLY H H 102 8.393 8.393 8.465 -0.072 25961 5150 1 11 . 1 1 103 103 GLU N N 103 119.459 119.459 124.890 -5.431 25961 5151 1 11 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.265 0.690 25961 5152 1 11 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.955 -2.209 25961 5153 1 11 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.074 2.127 25961 5154 1 11 . 1 1 103 103 GLU H H 103 8.386 8.386 8.142 0.244 25961 5155 1 11 . 1 1 104 104 LEU N N 104 123.881 123.881 120.454 3.427 25961 5156 1 11 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.517 0.183 25961 5157 1 11 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.918 -1.351 25961 5158 1 11 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.323 3.735 25961 5159 1 11 . 1 1 104 104 LEU H H 104 8.735 8.735 7.639 1.095 25961 5160 1 12 . 1 1 2 2 LEU N N 2 122.611 122.611 116.456 6.155 25961 5161 1 12 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.667 -0.275 25961 5162 1 12 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.081 -0.749 25961 5163 1 12 . 1 1 2 2 LEU CB C 2 41.317 41.317 46.431 -5.114 25961 5164 1 12 . 1 1 2 2 LEU H H 2 8.535 8.535 8.188 0.347 25961 5165 1 12 . 1 1 3 3 THR N N 3 112.475 112.475 112.827 -0.352 25961 5166 1 12 . 1 1 3 3 THR HA H 3 4.777 4.777 4.582 0.195 25961 5167 1 12 . 1 1 3 3 THR CA C 3 59.259 59.259 59.528 -0.269 25961 5168 1 12 . 1 1 3 3 THR CB C 3 70.185 70.185 70.114 0.071 25961 5169 1 12 . 1 1 3 3 THR H H 3 7.903 7.903 7.942 -0.039 25961 5170 1 12 . 1 1 4 4 ARG N N 4 120.183 120.183 124.436 -4.253 25961 5171 1 12 . 1 1 4 4 ARG H H 4 8.809 8.809 8.569 0.240 25961 5172 1 12 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.355 0.017 25961 5173 1 12 . 1 1 5 5 PRO CA C 5 65.017 65.017 64.707 0.310 25961 5174 1 12 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.163 -0.575 25961 5175 1 12 . 1 1 6 6 TYR N N 6 120.727 120.727 118.892 1.835 25961 5176 1 12 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.602 0.032 25961 5177 1 12 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.558 -1.482 25961 5178 1 12 . 1 1 6 6 TYR CB C 6 41.054 41.054 40.336 0.718 25961 5179 1 12 . 1 1 6 6 TYR H H 6 7.530 7.530 7.787 -0.257 25961 5180 1 12 . 1 1 7 7 LEU N N 7 126.575 126.575 120.085 6.490 25961 5181 1 12 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.999 -0.592 25961 5182 1 12 . 1 1 7 7 LEU H H 7 8.500 8.500 8.367 0.133 25961 5183 1 12 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.618 1.089 25961 5184 1 12 . 1 1 9 9 PHE N N 9 114.612 114.612 116.364 -1.752 25961 5185 1 12 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.963 0.395 25961 5186 1 12 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.509 -1.247 25961 5187 1 12 . 1 1 9 9 PHE CB C 9 39.454 39.454 42.053 -2.599 25961 5188 1 12 . 1 1 9 9 PHE H H 9 7.102 7.102 7.758 -0.656 25961 5189 1 12 . 1 1 10 10 ARG N N 10 117.800 117.800 120.700 -2.900 25961 5190 1 12 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.638 0.033 25961 5191 1 12 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.700 -1.301 25961 5192 1 12 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.723 1.092 25961 5193 1 12 . 1 1 10 10 ARG H H 10 8.206 8.206 8.467 -0.261 25961 5194 1 12 . 1 1 11 11 VAL N N 11 117.216 117.216 117.424 -0.208 25961 5195 1 12 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.071 0.096 25961 5196 1 12 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.982 -1.792 25961 5197 1 12 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.599 -0.724 25961 5198 1 12 . 1 1 11 11 VAL H H 11 8.601 8.601 8.194 0.407 25961 5199 1 12 . 1 1 12 12 ALA N N 12 123.025 123.025 129.897 -6.872 25961 5200 1 12 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.797 -0.217 25961 5201 1 12 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.723 -1.180 25961 5202 1 12 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.309 1.473 25961 5203 1 12 . 1 1 12 12 ALA H H 12 8.861 8.861 8.055 0.806 25961 5204 1 12 . 1 1 13 13 VAL N N 13 121.395 121.395 125.142 -3.747 25961 5205 1 12 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.184 0.367 25961 5206 1 12 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.615 -1.332 25961 5207 1 12 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.614 -0.920 25961 5208 1 12 . 1 1 13 13 VAL H H 13 8.585 8.585 8.638 -0.053 25961 5209 1 12 . 1 1 14 14 GLY N N 14 117.546 117.546 116.650 0.896 25961 5210 1 12 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.192 -1.808 25961 5211 1 12 . 1 1 14 14 GLY H H 14 8.789 8.789 8.729 0.060 25961 5212 1 12 . 1 1 15 15 ARG N N 15 120.075 120.075 120.053 0.022 25961 5213 1 12 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.696 0.414 25961 5214 1 12 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.786 -0.893 25961 5215 1 12 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.853 -0.097 25961 5216 1 12 . 1 1 15 15 ARG H H 15 8.299 8.299 8.366 -0.067 25961 5217 1 12 . 1 1 16 16 ASP N N 16 123.872 123.872 120.370 3.502 25961 5218 1 12 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.713 0.032 25961 5219 1 12 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.725 -1.354 25961 5220 1 12 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.422 -0.670 25961 5221 1 12 . 1 1 16 16 ASP H H 16 8.619 8.619 8.470 0.149 25961 5222 1 12 . 1 1 17 17 SER N N 17 114.309 114.309 114.269 0.040 25961 5223 1 12 . 1 1 17 17 SER HA H 17 4.196 4.196 4.165 0.031 25961 5224 1 12 . 1 1 17 17 SER CA C 17 59.950 59.950 60.587 -0.637 25961 5225 1 12 . 1 1 17 17 SER CB C 17 61.825 61.825 63.286 -1.461 25961 5226 1 12 . 1 1 17 17 SER H H 17 8.624 8.624 8.457 0.167 25961 5227 1 12 . 1 1 18 18 SER N N 18 117.903 117.903 116.205 1.698 25961 5228 1 12 . 1 1 18 18 SER HA H 18 4.597 4.597 4.385 0.212 25961 5229 1 12 . 1 1 18 18 SER CA C 18 57.732 57.732 59.766 -2.034 25961 5230 1 12 . 1 1 18 18 SER CB C 18 63.470 63.470 63.520 -0.049 25961 5231 1 12 . 1 1 18 18 SER H H 18 8.385 8.385 7.732 0.653 25961 5232 1 12 . 1 1 19 19 GLY N N 19 109.883 109.883 109.546 0.337 25961 5233 1 12 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.307 -1.136 25961 5234 1 12 . 1 1 19 19 GLY H H 19 8.214 8.214 8.806 -0.592 25961 5235 1 12 . 1 1 20 20 CYS N N 20 122.167 122.167 119.224 2.943 25961 5236 1 12 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.684 -0.196 25961 5237 1 12 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.230 0.807 25961 5238 1 12 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.807 -2.122 25961 5239 1 12 . 1 1 20 20 CYS H H 20 8.286 8.286 8.146 0.140 25961 5240 1 12 . 1 1 21 21 THR N N 21 119.387 119.387 114.981 4.406 25961 5241 1 12 . 1 1 21 21 THR HA H 21 4.764 4.764 4.154 0.610 25961 5242 1 12 . 1 1 21 21 THR CA C 21 61.953 61.953 63.956 -2.003 25961 5243 1 12 . 1 1 21 21 THR CB C 21 68.795 68.795 67.651 1.144 25961 5244 1 12 . 1 1 21 21 THR H H 21 8.626 8.626 8.393 0.233 25961 5245 1 12 . 1 1 22 22 THR N N 22 116.611 116.611 115.248 1.363 25961 5246 1 12 . 1 1 22 22 THR HA H 22 4.513 4.513 4.734 -0.221 25961 5247 1 12 . 1 1 22 22 THR CA C 22 58.918 58.918 59.999 -1.081 25961 5248 1 12 . 1 1 22 22 THR CB C 22 71.128 71.128 71.924 -0.796 25961 5249 1 12 . 1 1 22 22 THR H H 22 8.343 8.343 8.066 0.277 25961 5250 1 12 . 1 1 23 23 LEU N N 23 122.893 122.893 121.272 1.621 25961 5251 1 12 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.176 -0.244 25961 5252 1 12 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.112 -1.625 25961 5253 1 12 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.094 -2.829 25961 5254 1 12 . 1 1 23 23 LEU H H 23 9.157 9.157 8.294 0.863 25961 5255 1 12 . 1 1 24 24 SER N N 24 116.771 116.771 117.128 -0.357 25961 5256 1 12 . 1 1 24 24 SER HA H 24 5.173 5.173 4.651 0.522 25961 5257 1 12 . 1 1 24 24 SER CA C 24 55.247 55.247 56.872 -1.625 25961 5258 1 12 . 1 1 24 24 SER CB C 24 64.841 64.841 64.927 -0.086 25961 5259 1 12 . 1 1 24 24 SER H H 24 8.656 8.656 7.980 0.676 25961 5260 1 12 . 1 1 25 25 ILE N N 25 122.747 122.747 125.608 -2.861 25961 5261 1 12 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.461 -0.430 25961 5262 1 12 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.326 0.944 25961 5263 1 12 . 1 1 25 25 ILE CB C 25 34.649 34.649 39.656 -5.007 25961 5264 1 12 . 1 1 25 25 ILE H H 25 9.023 9.023 7.942 1.081 25961 5265 1 12 . 1 1 26 26 GLN N N 26 129.779 129.779 126.438 3.341 25961 5266 1 12 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.478 -0.049 25961 5267 1 12 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.092 -2.505 25961 5268 1 12 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.417 -0.141 25961 5269 1 12 . 1 1 26 26 GLN H H 26 9.093 9.093 8.675 0.418 25961 5270 1 12 . 1 1 27 27 GLU N N 27 118.722 118.722 118.565 0.157 25961 5271 1 12 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.893 0.071 25961 5272 1 12 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.952 -0.930 25961 5273 1 12 . 1 1 27 27 GLU H H 27 7.479 7.479 7.941 -0.462 25961 5274 1 12 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.257 0.186 25961 5275 1 12 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.501 -0.346 25961 5276 1 12 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.577 1.103 25961 5277 1 12 . 1 1 29 29 THR N N 29 124.459 124.459 118.487 5.972 25961 5278 1 12 . 1 1 29 29 THR HA H 29 4.183 4.183 4.372 -0.189 25961 5279 1 12 . 1 1 29 29 THR CA C 29 62.474 62.474 62.256 0.218 25961 5280 1 12 . 1 1 29 29 THR CB C 29 68.811 68.811 69.055 -0.244 25961 5281 1 12 . 1 1 29 29 THR H H 29 8.009 8.009 8.400 -0.391 25961 5282 1 12 . 1 1 30 30 GLN N N 30 130.053 130.053 118.599 11.454 25961 5283 1 12 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.387 -0.865 25961 5284 1 12 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.108 1.778 25961 5285 1 12 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.285 -0.980 25961 5286 1 12 . 1 1 30 30 GLN H H 30 9.321 9.321 8.402 0.919 25961 5287 1 12 . 1 1 31 31 THR N N 31 111.234 111.234 107.613 3.621 25961 5288 1 12 . 1 1 31 31 THR HA H 31 5.509 5.509 4.401 1.109 25961 5289 1 12 . 1 1 31 31 THR CA C 31 58.798 58.798 60.878 -2.080 25961 5290 1 12 . 1 1 31 31 THR CB C 31 71.374 71.374 69.068 2.306 25961 5291 1 12 . 1 1 31 31 THR H H 31 7.630 7.630 7.330 0.300 25961 5292 1 12 . 1 1 32 32 TYR N N 32 121.998 121.998 120.254 1.744 25961 5293 1 12 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.773 0.030 25961 5294 1 12 . 1 1 32 32 TYR CA C 32 54.799 54.799 56.888 -2.089 25961 5295 1 12 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.252 -2.534 25961 5296 1 12 . 1 1 32 32 TYR H H 32 9.359 9.359 7.208 2.151 25961 5297 1 12 . 1 1 33 33 THR N N 33 114.039 114.039 113.924 0.115 25961 5298 1 12 . 1 1 33 33 THR HA H 33 4.390 4.390 4.627 -0.237 25961 5299 1 12 . 1 1 33 33 THR CA C 33 59.896 59.896 61.731 -1.835 25961 5300 1 12 . 1 1 33 33 THR CB C 33 69.135 69.135 71.942 -2.807 25961 5301 1 12 . 1 1 33 33 THR H H 33 7.985 7.985 8.305 -0.320 25961 5302 1 12 . 1 1 34 34 GLY N N 34 113.445 113.445 108.761 4.684 25961 5303 1 12 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.826 -1.754 25961 5304 1 12 . 1 1 34 34 GLY H H 34 8.698 8.698 8.643 0.055 25961 5305 1 12 . 1 1 35 35 SER N N 35 113.837 113.837 118.451 -4.614 25961 5306 1 12 . 1 1 35 35 SER HA H 35 4.264 4.264 4.577 -0.313 25961 5307 1 12 . 1 1 35 35 SER CA C 35 57.651 57.651 57.837 -0.186 25961 5308 1 12 . 1 1 35 35 SER CB C 35 63.056 63.056 64.283 -1.227 25961 5309 1 12 . 1 1 35 35 SER H H 35 8.039 8.039 8.014 0.025 25961 5310 1 12 . 1 1 36 36 ASN N N 36 119.749 119.749 121.693 -1.944 25961 5311 1 12 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.428 0.156 25961 5312 1 12 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.533 -1.752 25961 5313 1 12 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.781 -0.595 25961 5314 1 12 . 1 1 36 36 ASN H H 36 8.767 8.767 9.094 -0.327 25961 5315 1 12 . 1 1 37 37 GLY N N 37 110.628 110.628 103.422 7.206 25961 5316 1 12 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.169 -0.584 25961 5317 1 12 . 1 1 37 37 GLY H H 37 8.496 8.496 7.621 0.875 25961 5318 1 12 . 1 1 38 38 GLY N N 38 108.654 108.654 109.699 -1.045 25961 5319 1 12 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.651 -1.551 25961 5320 1 12 . 1 1 38 38 GLY H H 38 7.955 7.955 8.305 -0.350 25961 5321 1 12 . 1 1 39 39 ALA N N 39 123.326 123.326 125.183 -1.857 25961 5322 1 12 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.436 -0.225 25961 5323 1 12 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.715 -0.877 25961 5324 1 12 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.288 -1.559 25961 5325 1 12 . 1 1 39 39 ALA H H 39 8.028 8.028 7.938 0.090 25961 5326 1 12 . 1 1 40 40 ASP N N 40 119.573 119.573 119.932 -0.359 25961 5327 1 12 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.643 -0.256 25961 5328 1 12 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.677 -0.683 25961 5329 1 12 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.530 -0.903 25961 5330 1 12 . 1 1 40 40 ASP H H 40 8.261 8.261 8.444 -0.183 25961 5331 1 12 . 1 1 41 41 LEU N N 41 123.899 123.899 122.592 1.307 25961 5332 1 12 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.538 -0.096 25961 5333 1 12 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.787 -2.566 25961 5334 1 12 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.563 -2.554 25961 5335 1 12 . 1 1 41 41 LEU H H 41 8.663 8.663 7.962 0.701 25961 5336 1 12 . 1 1 42 42 MET N N 42 119.684 119.684 118.018 1.666 25961 5337 1 12 . 1 1 42 42 MET HA H 42 4.730 4.730 4.703 0.027 25961 5338 1 12 . 1 1 42 42 MET CA C 42 54.695 54.695 55.224 -0.529 25961 5339 1 12 . 1 1 42 42 MET CB C 42 32.194 32.194 32.988 -0.794 25961 5340 1 12 . 1 1 42 42 MET H H 42 8.553 8.553 8.276 0.277 25961 5341 1 12 . 1 1 43 43 GLY N N 43 113.052 113.052 110.893 2.159 25961 5342 1 12 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.470 -3.092 25961 5343 1 12 . 1 1 43 43 GLY H H 43 8.618 8.618 8.692 -0.074 25961 5344 1 12 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.466 0.254 25961 5345 1 12 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.801 -3.570 25961 5346 1 12 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.558 0.394 25961 5347 1 12 . 1 1 45 45 ALA N N 45 120.693 120.693 122.196 -1.503 25961 5348 1 12 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.143 -0.159 25961 5349 1 12 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.822 -1.018 25961 5350 1 12 . 1 1 45 45 ALA CB C 45 17.967 17.967 17.982 -0.015 25961 5351 1 12 . 1 1 45 45 ALA H H 45 7.524 7.524 8.301 -0.777 25961 5352 1 12 . 1 1 46 46 PHE N N 46 122.306 122.306 119.552 2.754 25961 5353 1 12 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.301 -0.339 25961 5354 1 12 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.305 1.021 25961 5355 1 12 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.669 -0.049 25961 5356 1 12 . 1 1 46 46 PHE H H 46 8.603 8.603 8.086 0.517 25961 5357 1 12 . 1 1 47 47 ALA N N 47 123.253 123.253 121.198 2.055 25961 5358 1 12 . 1 1 47 47 ALA HA H 47 4.088 4.088 3.996 0.092 25961 5359 1 12 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.076 -0.125 25961 5360 1 12 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.145 -0.498 25961 5361 1 12 . 1 1 47 47 ALA H H 47 9.199 9.199 7.807 1.392 25961 5362 1 12 . 1 1 48 48 ALA N N 48 117.571 117.571 119.776 -2.205 25961 5363 1 12 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.125 0.178 25961 5364 1 12 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.190 -0.503 25961 5365 1 12 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.732 -0.960 25961 5366 1 12 . 1 1 48 48 ALA H H 48 7.262 7.262 7.562 -0.300 25961 5367 1 12 . 1 1 49 49 GLY N N 49 103.229 103.229 105.340 -2.111 25961 5368 1 12 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.509 -0.890 25961 5369 1 12 . 1 1 49 49 GLY H H 49 7.461 7.461 7.466 -0.005 25961 5370 1 12 . 1 1 50 50 LEU N N 50 120.470 120.470 121.380 -0.910 25961 5371 1 12 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.407 -0.889 25961 5372 1 12 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.045 -0.633 25961 5373 1 12 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.276 -0.321 25961 5374 1 12 . 1 1 50 50 LEU H H 50 7.224 7.224 8.153 -0.929 25961 5375 1 12 . 1 1 51 51 ARG N N 51 119.645 119.645 123.824 -4.179 25961 5376 1 12 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.210 -1.719 25961 5377 1 12 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.978 -1.162 25961 5378 1 12 . 1 1 51 51 ARG H H 51 8.678 8.678 9.065 -0.387 25961 5379 1 12 . 1 1 52 52 VAL N N 52 119.995 119.995 119.362 0.633 25961 5380 1 12 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.801 -0.578 25961 5381 1 12 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.628 0.590 25961 5382 1 12 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.882 -0.733 25961 5383 1 12 . 1 1 52 52 VAL H H 52 8.482 8.482 8.532 -0.050 25961 5384 1 12 . 1 1 53 53 GLY N N 53 117.052 117.052 115.847 1.205 25961 5385 1 12 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.668 -1.243 25961 5386 1 12 . 1 1 53 53 GLY H H 53 9.122 9.122 8.839 0.283 25961 5387 1 12 . 1 1 54 54 ASP N N 54 124.203 124.203 122.921 1.282 25961 5388 1 12 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.902 -0.069 25961 5389 1 12 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.621 1.113 25961 5390 1 12 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.928 -1.649 25961 5391 1 12 . 1 1 54 54 ASP H H 54 7.848 7.848 8.010 -0.162 25961 5392 1 12 . 1 1 55 55 GLN N N 55 121.703 121.703 119.892 1.811 25961 5393 1 12 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.451 0.416 25961 5394 1 12 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.395 -1.869 25961 5395 1 12 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.592 -1.560 25961 5396 1 12 . 1 1 55 55 GLN H H 55 9.158 9.158 7.949 1.209 25961 5397 1 12 . 1 1 56 56 LEU N N 56 124.733 124.733 119.722 5.011 25961 5398 1 12 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.049 0.138 25961 5399 1 12 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.651 1.544 25961 5400 1 12 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.614 -0.600 25961 5401 1 12 . 1 1 56 56 LEU H H 56 8.770 8.770 8.113 0.657 25961 5402 1 12 . 1 1 57 57 VAL N N 57 123.383 123.383 123.720 -0.337 25961 5403 1 12 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.311 -0.003 25961 5404 1 12 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.615 1.528 25961 5405 1 12 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.606 -0.971 25961 5406 1 12 . 1 1 57 57 VAL H H 57 8.889 8.889 7.945 0.944 25961 5407 1 12 . 1 1 58 58 ARG N N 58 118.094 118.094 119.136 -1.042 25961 5408 1 12 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.931 1.407 25961 5409 1 12 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.546 -3.334 25961 5410 1 12 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.390 6.223 25961 5411 1 12 . 1 1 58 58 ARG H H 58 8.531 8.531 7.627 0.904 25961 5412 1 12 . 1 1 59 59 PHE N N 59 123.332 123.332 116.380 6.952 25961 5413 1 12 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.587 0.348 25961 5414 1 12 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.354 0.502 25961 5415 1 12 . 1 1 59 59 PHE CB C 59 42.971 42.971 43.048 -0.077 25961 5416 1 12 . 1 1 59 59 PHE H H 59 9.295 9.295 7.547 1.748 25961 5417 1 12 . 1 1 60 60 ALA N N 60 127.537 127.537 125.521 2.016 25961 5418 1 12 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.287 -0.700 25961 5419 1 12 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.748 -0.374 25961 5420 1 12 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.859 -2.386 25961 5421 1 12 . 1 1 60 60 ALA H H 60 8.356 8.356 8.880 -0.524 25961 5422 1 12 . 1 1 61 61 GLY N N 61 103.058 103.058 112.032 -8.974 25961 5423 1 12 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.701 -0.914 25961 5424 1 12 . 1 1 61 61 GLY H H 61 9.178 9.178 7.927 1.251 25961 5425 1 12 . 1 1 62 62 TYR N N 62 120.218 120.218 117.343 2.875 25961 5426 1 12 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.041 0.589 25961 5427 1 12 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.191 -1.615 25961 5428 1 12 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.666 3.226 25961 5429 1 12 . 1 1 62 62 TYR H H 62 7.888 7.888 7.592 0.296 25961 5430 1 12 . 1 1 63 63 THR N N 63 120.933 120.933 113.333 7.600 25961 5431 1 12 . 1 1 63 63 THR HA H 63 4.479 4.479 5.070 -0.591 25961 5432 1 12 . 1 1 63 63 THR CA C 63 62.851 62.851 60.739 2.112 25961 5433 1 12 . 1 1 63 63 THR CB C 63 67.848 67.848 71.105 -3.257 25961 5434 1 12 . 1 1 63 63 THR H H 63 9.108 9.108 7.676 1.432 25961 5435 1 12 . 1 1 64 64 VAL N N 64 121.039 121.039 128.292 -7.253 25961 5436 1 12 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.582 0.017 25961 5437 1 12 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.107 -2.240 25961 5438 1 12 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.146 -2.142 25961 5439 1 12 . 1 1 64 64 VAL H H 64 7.782 7.782 8.244 -0.462 25961 5440 1 12 . 1 1 65 65 THR N N 65 114.373 114.373 116.414 -2.041 25961 5441 1 12 . 1 1 65 65 THR HA H 65 4.452 4.452 4.394 0.058 25961 5442 1 12 . 1 1 65 65 THR CA C 65 60.536 60.536 62.832 -2.296 25961 5443 1 12 . 1 1 65 65 THR CB C 65 69.037 69.037 69.548 -0.511 25961 5444 1 12 . 1 1 65 65 THR H H 65 9.053 9.053 8.398 0.655 25961 5445 1 12 . 1 1 66 66 GLU N N 66 115.766 115.766 119.341 -3.575 25961 5446 1 12 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.439 0.124 25961 5447 1 12 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.782 -2.395 25961 5448 1 12 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.386 1.179 25961 5449 1 12 . 1 1 66 66 GLU H H 66 7.345 7.345 7.804 -0.459 25961 5450 1 12 . 1 1 67 67 LEU N N 67 124.674 124.674 118.216 6.458 25961 5451 1 12 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.326 -0.392 25961 5452 1 12 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.555 -0.020 25961 5453 1 12 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.896 0.157 25961 5454 1 12 . 1 1 67 67 LEU H H 67 8.906 8.906 8.679 0.227 25961 5455 1 12 . 1 1 68 68 ALA N N 68 120.493 120.493 121.493 -1.000 25961 5456 1 12 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.003 0.133 25961 5457 1 12 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.891 -0.217 25961 5458 1 12 . 1 1 68 68 ALA CB C 68 16.521 16.521 18.008 -1.487 25961 5459 1 12 . 1 1 68 68 ALA H H 68 9.022 9.022 8.287 0.735 25961 5460 1 12 . 1 1 69 69 ALA N N 69 119.695 119.695 121.944 -2.249 25961 5461 1 12 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.231 -0.069 25961 5462 1 12 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.481 -0.461 25961 5463 1 12 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.674 -1.011 25961 5464 1 12 . 1 1 69 69 ALA H H 69 7.258 7.258 7.617 -0.359 25961 5465 1 12 . 1 1 70 70 PHE N N 70 119.274 119.274 119.250 0.024 25961 5466 1 12 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.114 -0.155 25961 5467 1 12 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.717 -0.757 25961 5468 1 12 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.636 -1.204 25961 5469 1 12 . 1 1 70 70 PHE H H 70 7.769 7.769 8.199 -0.430 25961 5470 1 12 . 1 1 71 71 ASN N N 71 117.363 117.363 117.073 0.290 25961 5471 1 12 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.427 -0.325 25961 5472 1 12 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.139 -2.442 25961 5473 1 12 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.226 -2.153 25961 5474 1 12 . 1 1 71 71 ASN H H 71 8.801 8.801 8.162 0.639 25961 5475 1 12 . 1 1 72 72 THR N N 72 119.746 119.746 114.148 5.598 25961 5476 1 12 . 1 1 72 72 THR HA H 72 4.220 4.220 4.081 0.139 25961 5477 1 12 . 1 1 72 72 THR CA C 72 65.927 65.927 65.536 0.391 25961 5478 1 12 . 1 1 72 72 THR CB C 72 67.600 67.600 68.366 -0.766 25961 5479 1 12 . 1 1 72 72 THR H H 72 8.109 8.109 7.474 0.635 25961 5480 1 12 . 1 1 73 73 VAL N N 73 123.156 123.156 121.695 1.461 25961 5481 1 12 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.630 -0.175 25961 5482 1 12 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.826 0.330 25961 5483 1 12 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.703 -0.367 25961 5484 1 12 . 1 1 73 73 VAL H H 73 7.744 7.744 7.305 0.439 25961 5485 1 12 . 1 1 74 74 VAL N N 74 120.420 120.420 120.490 -0.070 25961 5486 1 12 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.434 -0.068 25961 5487 1 12 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.300 0.298 25961 5488 1 12 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.500 -0.015 25961 5489 1 12 . 1 1 74 74 VAL H H 74 8.154 8.154 8.176 -0.022 25961 5490 1 12 . 1 1 75 75 ALA N N 75 120.206 120.206 122.488 -2.282 25961 5491 1 12 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.083 -0.088 25961 5492 1 12 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.058 -1.059 25961 5493 1 12 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.447 -1.483 25961 5494 1 12 . 1 1 75 75 ALA H H 75 7.788 7.788 7.459 0.329 25961 5495 1 12 . 1 1 76 76 ARG N N 76 114.701 114.701 115.261 -0.560 25961 5496 1 12 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.198 -0.113 25961 5497 1 12 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.530 -0.548 25961 5498 1 12 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.514 1.170 25961 5499 1 12 . 1 1 76 76 ARG H H 76 7.705 7.705 7.690 0.015 25961 5500 1 12 . 1 1 77 77 HIS N N 77 112.695 112.695 117.468 -4.773 25961 5501 1 12 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.381 0.429 25961 5502 1 12 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.265 -1.104 25961 5503 1 12 . 1 1 77 77 HIS CB C 77 31.033 31.033 31.436 -0.402 25961 5504 1 12 . 1 1 77 77 HIS H H 77 8.123 8.123 7.962 0.161 25961 5505 1 12 . 1 1 78 78 VAL N N 78 119.219 119.219 116.803 2.416 25961 5506 1 12 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.760 0.133 25961 5507 1 12 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.792 -0.227 25961 5508 1 12 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.115 -1.987 25961 5509 1 12 . 1 1 78 78 VAL H H 78 8.034 8.034 7.973 0.061 25961 5510 1 12 . 1 1 79 79 ARG N N 79 126.908 126.908 125.684 1.224 25961 5511 1 12 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.693 -1.332 25961 5512 1 12 . 1 1 79 79 ARG CB C 79 30.191 30.191 34.206 -4.015 25961 5513 1 12 . 1 1 79 79 ARG H H 79 7.023 7.023 8.059 -1.036 25961 5514 1 12 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.621 -0.596 25961 5515 1 12 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.544 0.027 25961 5516 1 12 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.009 0.203 25961 5517 1 12 . 1 1 81 81 SER N N 81 115.039 115.039 117.479 -2.440 25961 5518 1 12 . 1 1 81 81 SER HA H 81 4.047 4.047 3.976 0.071 25961 5519 1 12 . 1 1 81 81 SER CA C 81 60.713 60.713 59.163 1.550 25961 5520 1 12 . 1 1 81 81 SER H H 81 8.210 8.210 8.561 -0.351 25961 5521 1 12 . 1 1 82 82 ALA N N 82 123.546 123.546 122.992 0.554 25961 5522 1 12 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.581 -0.235 25961 5523 1 12 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.032 0.474 25961 5524 1 12 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.041 -0.946 25961 5525 1 12 . 1 1 82 82 ALA H H 82 7.770 7.770 7.420 0.350 25961 5526 1 12 . 1 1 83 83 SER N N 83 116.753 116.753 119.821 -3.068 25961 5527 1 12 . 1 1 83 83 SER HA H 83 5.129 5.129 5.075 0.054 25961 5528 1 12 . 1 1 83 83 SER CA C 83 56.582 56.582 57.739 -1.157 25961 5529 1 12 . 1 1 83 83 SER CB C 83 62.554 62.554 64.109 -1.555 25961 5530 1 12 . 1 1 83 83 SER H H 83 8.524 8.524 8.605 -0.082 25961 5531 1 12 . 1 1 84 84 ILE N N 84 126.985 126.985 125.484 1.501 25961 5532 1 12 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.996 -3.211 25961 5533 1 12 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.872 -2.448 25961 5534 1 12 . 1 1 84 84 ILE H H 84 9.599 9.599 8.187 1.412 25961 5535 1 12 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.455 0.490 25961 5536 1 12 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.632 -1.078 25961 5537 1 12 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.619 -0.192 25961 5538 1 12 . 1 1 86 86 VAL N N 86 123.811 123.811 126.390 -2.579 25961 5539 1 12 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.371 0.478 25961 5540 1 12 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.800 -1.027 25961 5541 1 12 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.068 -0.424 25961 5542 1 12 . 1 1 86 86 VAL H H 86 9.033 9.033 8.067 0.966 25961 5543 1 12 . 1 1 87 87 VAL N N 87 127.839 127.839 125.112 2.727 25961 5544 1 12 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.464 0.508 25961 5545 1 12 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.151 -0.458 25961 5546 1 12 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.687 -0.269 25961 5547 1 12 . 1 1 87 87 VAL H H 87 9.132 9.132 8.560 0.572 25961 5548 1 12 . 1 1 88 88 PHE N N 88 127.301 127.301 128.670 -1.369 25961 5549 1 12 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.078 0.540 25961 5550 1 12 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.195 -1.984 25961 5551 1 12 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.784 -2.782 25961 5552 1 12 . 1 1 88 88 PHE H H 88 9.248 9.248 8.188 1.060 25961 5553 1 12 . 1 1 89 89 SER N N 89 113.734 113.734 114.032 -0.298 25961 5554 1 12 . 1 1 89 89 SER HA H 89 5.336 5.336 5.209 0.127 25961 5555 1 12 . 1 1 89 89 SER CA C 89 54.452 54.452 56.974 -2.522 25961 5556 1 12 . 1 1 89 89 SER CB C 89 64.474 64.474 65.982 -1.508 25961 5557 1 12 . 1 1 89 89 SER H H 89 9.689 9.689 8.146 1.543 25961 5558 1 12 . 1 1 90 90 ARG N N 90 128.114 128.114 124.822 3.292 25961 5559 1 12 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.558 0.189 25961 5560 1 12 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.532 -0.410 25961 5561 1 12 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.820 1.516 25961 5562 1 12 . 1 1 90 90 ARG H H 90 8.561 8.561 8.065 0.496 25961 5563 1 12 . 1 1 91 91 ASP N N 91 129.790 129.790 119.799 9.991 25961 5564 1 12 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.333 -0.064 25961 5565 1 12 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.298 -0.797 25961 5566 1 12 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.512 -0.431 25961 5567 1 12 . 1 1 91 91 ASP H H 91 9.461 9.461 8.355 1.106 25961 5568 1 12 . 1 1 92 92 GLY N N 92 102.404 102.404 102.644 -0.240 25961 5569 1 12 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.963 -0.658 25961 5570 1 12 . 1 1 92 92 GLY H H 92 8.391 8.391 7.944 0.447 25961 5571 1 12 . 1 1 93 93 VAL N N 93 123.090 123.090 119.984 3.106 25961 5572 1 12 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.046 -0.044 25961 5573 1 12 . 1 1 93 93 VAL CA C 93 61.266 61.266 61.594 -0.328 25961 5574 1 12 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.276 -1.458 25961 5575 1 12 . 1 1 93 93 VAL H H 93 7.682 7.682 7.545 0.137 25961 5576 1 12 . 1 1 94 94 VAL N N 94 128.414 128.414 126.170 2.244 25961 5577 1 12 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.012 0.122 25961 5578 1 12 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.829 0.511 25961 5579 1 12 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.315 -2.199 25961 5580 1 12 . 1 1 94 94 VAL H H 94 8.400 8.400 8.298 0.102 25961 5581 1 12 . 1 1 95 95 MET N N 95 129.196 129.196 129.063 0.133 25961 5582 1 12 . 1 1 95 95 MET HA H 95 4.352 4.352 4.931 -0.579 25961 5583 1 12 . 1 1 95 95 MET CA C 95 53.674 53.674 54.355 -0.681 25961 5584 1 12 . 1 1 95 95 MET CB C 95 36.104 36.104 37.209 -1.105 25961 5585 1 12 . 1 1 95 95 MET H H 95 9.100 9.100 8.425 0.675 25961 5586 1 12 . 1 1 96 96 SER N N 96 111.540 111.540 116.546 -5.006 25961 5587 1 12 . 1 1 96 96 SER HA H 96 5.469 5.469 4.979 0.490 25961 5588 1 12 . 1 1 96 96 SER CA C 96 55.830 55.830 57.261 -1.431 25961 5589 1 12 . 1 1 96 96 SER CB C 96 65.471 65.471 65.242 0.229 25961 5590 1 12 . 1 1 96 96 SER H H 96 8.004 8.004 8.361 -0.357 25961 5591 1 12 . 1 1 97 97 ALA N N 97 124.079 124.079 128.523 -4.444 25961 5592 1 12 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.678 0.110 25961 5593 1 12 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.838 -1.439 25961 5594 1 12 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.915 0.629 25961 5595 1 12 . 1 1 97 97 ALA H H 97 9.145 9.145 8.236 0.909 25961 5596 1 12 . 1 1 98 98 THR N N 98 117.342 117.342 118.927 -1.585 25961 5597 1 12 . 1 1 98 98 THR HA H 98 4.823 4.823 4.328 0.495 25961 5598 1 12 . 1 1 98 98 THR CA C 98 61.053 61.053 63.017 -1.964 25961 5599 1 12 . 1 1 98 98 THR CB C 98 69.913 69.913 69.307 0.606 25961 5600 1 12 . 1 1 98 98 THR H H 98 8.754 8.754 8.368 0.386 25961 5601 1 12 . 1 1 99 99 ILE N N 99 125.689 125.689 127.219 -1.530 25961 5602 1 12 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.287 -0.176 25961 5603 1 12 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.541 -1.172 25961 5604 1 12 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.608 0.083 25961 5605 1 12 . 1 1 99 99 ILE H H 99 8.868 8.868 7.880 0.988 25961 5606 1 12 . 1 1 100 100 VAL N N 100 129.871 129.871 123.877 5.994 25961 5607 1 12 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.367 0.299 25961 5608 1 12 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.934 -0.066 25961 5609 1 12 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.064 -2.454 25961 5610 1 12 . 1 1 100 100 VAL H H 100 8.818 8.818 8.368 0.450 25961 5611 1 12 . 1 1 101 101 VAL N N 101 128.299 128.299 121.624 6.675 25961 5612 1 12 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.514 -1.145 25961 5613 1 12 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.476 3.851 25961 5614 1 12 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.842 -1.868 25961 5615 1 12 . 1 1 101 101 VAL H H 101 8.795 8.795 7.635 1.160 25961 5616 1 12 . 1 1 102 102 GLY N N 102 115.466 115.466 113.121 2.345 25961 5617 1 12 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.132 -0.452 25961 5618 1 12 . 1 1 102 102 GLY H H 102 8.393 8.393 8.666 -0.273 25961 5619 1 12 . 1 1 103 103 GLU N N 103 119.459 119.459 125.455 -5.996 25961 5620 1 12 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.369 0.586 25961 5621 1 12 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.761 -3.015 25961 5622 1 12 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.809 1.392 25961 5623 1 12 . 1 1 103 103 GLU H H 103 8.386 8.386 8.192 0.194 25961 5624 1 12 . 1 1 104 104 LEU N N 104 123.881 123.881 118.428 5.453 25961 5625 1 12 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.604 0.096 25961 5626 1 12 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.944 -1.377 25961 5627 1 12 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.140 1.918 25961 5628 1 12 . 1 1 104 104 LEU H H 104 8.735 8.735 7.903 0.832 25961 5629 1 13 . 1 1 2 2 LEU N N 2 122.611 122.611 116.359 6.252 25961 5630 1 13 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.705 -0.313 25961 5631 1 13 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.941 -0.609 25961 5632 1 13 . 1 1 2 2 LEU CB C 2 41.317 41.317 46.511 -5.194 25961 5633 1 13 . 1 1 2 2 LEU H H 2 8.535 8.535 8.133 0.402 25961 5634 1 13 . 1 1 3 3 THR N N 3 112.475 112.475 113.269 -0.794 25961 5635 1 13 . 1 1 3 3 THR HA H 3 4.777 4.777 4.562 0.215 25961 5636 1 13 . 1 1 3 3 THR CA C 3 59.259 59.259 59.505 -0.246 25961 5637 1 13 . 1 1 3 3 THR CB C 3 70.185 70.185 70.472 -0.286 25961 5638 1 13 . 1 1 3 3 THR H H 3 7.903 7.903 8.134 -0.231 25961 5639 1 13 . 1 1 4 4 ARG N N 4 120.183 120.183 123.839 -3.656 25961 5640 1 13 . 1 1 4 4 ARG H H 4 8.809 8.809 8.575 0.234 25961 5641 1 13 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.408 -0.036 25961 5642 1 13 . 1 1 5 5 PRO CA C 5 65.017 65.017 64.827 0.190 25961 5643 1 13 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.186 -0.598 25961 5644 1 13 . 1 1 6 6 TYR N N 6 120.727 120.727 118.614 2.113 25961 5645 1 13 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.617 0.017 25961 5646 1 13 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.287 -1.211 25961 5647 1 13 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.811 1.243 25961 5648 1 13 . 1 1 6 6 TYR H H 6 7.530 7.530 7.790 -0.260 25961 5649 1 13 . 1 1 7 7 LEU N N 7 126.575 126.575 119.779 6.796 25961 5650 1 13 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.355 0.052 25961 5651 1 13 . 1 1 7 7 LEU H H 7 8.500 8.500 8.294 0.206 25961 5652 1 13 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.780 0.927 25961 5653 1 13 . 1 1 9 9 PHE N N 9 114.612 114.612 115.498 -0.886 25961 5654 1 13 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.917 0.441 25961 5655 1 13 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.228 0.034 25961 5656 1 13 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.542 -1.088 25961 5657 1 13 . 1 1 9 9 PHE H H 9 7.102 7.102 7.447 -0.345 25961 5658 1 13 . 1 1 10 10 ARG N N 10 117.800 117.800 120.949 -3.149 25961 5659 1 13 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.731 -0.060 25961 5660 1 13 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.749 -1.350 25961 5661 1 13 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.600 1.214 25961 5662 1 13 . 1 1 10 10 ARG H H 10 8.206 8.206 8.541 -0.336 25961 5663 1 13 . 1 1 11 11 VAL N N 11 117.216 117.216 117.362 -0.146 25961 5664 1 13 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.175 -0.008 25961 5665 1 13 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.805 -1.615 25961 5666 1 13 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.086 -1.211 25961 5667 1 13 . 1 1 11 11 VAL H H 11 8.601 8.601 8.365 0.236 25961 5668 1 13 . 1 1 12 12 ALA N N 12 123.025 123.025 129.640 -6.615 25961 5669 1 13 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.859 -0.279 25961 5670 1 13 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.721 -1.178 25961 5671 1 13 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.773 1.009 25961 5672 1 13 . 1 1 12 12 ALA H H 12 8.861 8.861 8.131 0.730 25961 5673 1 13 . 1 1 13 13 VAL N N 13 121.395 121.395 124.813 -3.418 25961 5674 1 13 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.608 -0.057 25961 5675 1 13 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.482 -1.199 25961 5676 1 13 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.976 -1.282 25961 5677 1 13 . 1 1 13 13 VAL H H 13 8.585 8.585 8.651 -0.066 25961 5678 1 13 . 1 1 14 14 GLY N N 14 117.546 117.546 115.807 1.739 25961 5679 1 13 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.331 -1.947 25961 5680 1 13 . 1 1 14 14 GLY H H 14 8.789 8.789 8.540 0.249 25961 5681 1 13 . 1 1 15 15 ARG N N 15 120.075 120.075 119.915 0.160 25961 5682 1 13 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.810 0.300 25961 5683 1 13 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.486 -0.593 25961 5684 1 13 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.398 0.358 25961 5685 1 13 . 1 1 15 15 ARG H H 15 8.299 8.299 8.396 -0.097 25961 5686 1 13 . 1 1 16 16 ASP N N 16 123.872 123.872 122.533 1.339 25961 5687 1 13 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.779 -0.034 25961 5688 1 13 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.609 -1.238 25961 5689 1 13 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.998 -1.246 25961 5690 1 13 . 1 1 16 16 ASP H H 16 8.619 8.619 8.468 0.151 25961 5691 1 13 . 1 1 17 17 SER N N 17 114.309 114.309 113.886 0.423 25961 5692 1 13 . 1 1 17 17 SER HA H 17 4.196 4.196 4.297 -0.101 25961 5693 1 13 . 1 1 17 17 SER CA C 17 59.950 59.950 60.140 -0.190 25961 5694 1 13 . 1 1 17 17 SER CB C 17 61.825 61.825 63.600 -1.775 25961 5695 1 13 . 1 1 17 17 SER H H 17 8.624 8.624 8.491 0.133 25961 5696 1 13 . 1 1 18 18 SER N N 18 117.903 117.903 115.171 2.732 25961 5697 1 13 . 1 1 18 18 SER HA H 18 4.597 4.597 4.440 0.157 25961 5698 1 13 . 1 1 18 18 SER CA C 18 57.732 57.732 59.408 -1.676 25961 5699 1 13 . 1 1 18 18 SER CB C 18 63.470 63.470 64.505 -1.035 25961 5700 1 13 . 1 1 18 18 SER H H 18 8.385 8.385 7.861 0.524 25961 5701 1 13 . 1 1 19 19 GLY N N 19 109.883 109.883 109.074 0.809 25961 5702 1 13 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.014 -0.843 25961 5703 1 13 . 1 1 19 19 GLY H H 19 8.214 8.214 8.142 0.072 25961 5704 1 13 . 1 1 20 20 CYS N N 20 122.167 122.167 118.721 3.446 25961 5705 1 13 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.610 -0.122 25961 5706 1 13 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.615 -0.578 25961 5707 1 13 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.202 -2.517 25961 5708 1 13 . 1 1 20 20 CYS H H 20 8.286 8.286 8.215 0.071 25961 5709 1 13 . 1 1 21 21 THR N N 21 119.387 119.387 114.917 4.470 25961 5710 1 13 . 1 1 21 21 THR HA H 21 4.764 4.764 4.095 0.669 25961 5711 1 13 . 1 1 21 21 THR CA C 21 61.953 61.953 63.367 -1.414 25961 5712 1 13 . 1 1 21 21 THR CB C 21 68.795 68.795 67.936 0.859 25961 5713 1 13 . 1 1 21 21 THR H H 21 8.626 8.626 8.008 0.618 25961 5714 1 13 . 1 1 22 22 THR N N 22 116.611 116.611 114.710 1.901 25961 5715 1 13 . 1 1 22 22 THR HA H 22 4.513 4.513 4.677 -0.164 25961 5716 1 13 . 1 1 22 22 THR CA C 22 58.918 58.918 60.090 -1.172 25961 5717 1 13 . 1 1 22 22 THR CB C 22 71.128 71.128 71.417 -0.289 25961 5718 1 13 . 1 1 22 22 THR H H 22 8.343 8.343 8.179 0.164 25961 5719 1 13 . 1 1 23 23 LEU N N 23 122.893 122.893 121.579 1.314 25961 5720 1 13 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.205 -0.273 25961 5721 1 13 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.354 -1.867 25961 5722 1 13 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.606 -3.341 25961 5723 1 13 . 1 1 23 23 LEU H H 23 9.157 9.157 8.391 0.766 25961 5724 1 13 . 1 1 24 24 SER N N 24 116.771 116.771 118.350 -1.579 25961 5725 1 13 . 1 1 24 24 SER HA H 24 5.173 5.173 4.696 0.477 25961 5726 1 13 . 1 1 24 24 SER CA C 24 55.247 55.247 58.035 -2.788 25961 5727 1 13 . 1 1 24 24 SER CB C 24 64.841 64.841 64.170 0.671 25961 5728 1 13 . 1 1 24 24 SER H H 24 8.656 8.656 8.140 0.516 25961 5729 1 13 . 1 1 25 25 ILE N N 25 122.747 122.747 126.249 -3.502 25961 5730 1 13 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.846 -0.815 25961 5731 1 13 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.851 2.419 25961 5732 1 13 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.674 -3.025 25961 5733 1 13 . 1 1 25 25 ILE H H 25 9.023 9.023 7.970 1.053 25961 5734 1 13 . 1 1 26 26 GLN N N 26 129.779 129.779 125.586 4.193 25961 5735 1 13 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.303 0.126 25961 5736 1 13 . 1 1 26 26 GLN CA C 26 54.587 54.587 58.135 -3.548 25961 5737 1 13 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.659 0.617 25961 5738 1 13 . 1 1 26 26 GLN H H 26 9.093 9.093 8.634 0.459 25961 5739 1 13 . 1 1 27 27 GLU N N 27 118.722 118.722 116.920 1.802 25961 5740 1 13 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.269 -0.305 25961 5741 1 13 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.319 -0.297 25961 5742 1 13 . 1 1 27 27 GLU H H 27 7.479 7.479 8.127 -0.648 25961 5743 1 13 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.567 -0.124 25961 5744 1 13 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.479 0.676 25961 5745 1 13 . 1 1 28 28 VAL CB C 28 33.680 33.680 33.131 0.549 25961 5746 1 13 . 1 1 29 29 THR N N 29 124.459 124.459 116.409 8.050 25961 5747 1 13 . 1 1 29 29 THR HA H 29 4.183 4.183 4.642 -0.459 25961 5748 1 13 . 1 1 29 29 THR CA C 29 62.474 62.474 62.477 -0.003 25961 5749 1 13 . 1 1 29 29 THR CB C 29 68.811 68.811 68.664 0.147 25961 5750 1 13 . 1 1 29 29 THR H H 29 8.009 8.009 8.475 -0.466 25961 5751 1 13 . 1 1 30 30 GLN N N 30 130.053 130.053 119.098 10.955 25961 5752 1 13 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.519 -0.997 25961 5753 1 13 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.493 2.393 25961 5754 1 13 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.886 -1.581 25961 5755 1 13 . 1 1 30 30 GLN H H 30 9.321 9.321 8.211 1.110 25961 5756 1 13 . 1 1 31 31 THR N N 31 111.234 111.234 108.583 2.651 25961 5757 1 13 . 1 1 31 31 THR HA H 31 5.509 5.509 4.441 1.068 25961 5758 1 13 . 1 1 31 31 THR CA C 31 58.798 58.798 60.991 -2.193 25961 5759 1 13 . 1 1 31 31 THR CB C 31 71.374 71.374 68.688 2.687 25961 5760 1 13 . 1 1 31 31 THR H H 31 7.630 7.630 7.750 -0.120 25961 5761 1 13 . 1 1 32 32 TYR N N 32 121.998 121.998 121.191 0.807 25961 5762 1 13 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.722 0.081 25961 5763 1 13 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.573 -2.774 25961 5764 1 13 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.936 -2.218 25961 5765 1 13 . 1 1 32 32 TYR H H 32 9.359 9.359 7.355 2.004 25961 5766 1 13 . 1 1 33 33 THR N N 33 114.039 114.039 112.615 1.424 25961 5767 1 13 . 1 1 33 33 THR HA H 33 4.390 4.390 4.591 -0.201 25961 5768 1 13 . 1 1 33 33 THR CA C 33 59.896 59.896 61.050 -1.153 25961 5769 1 13 . 1 1 33 33 THR CB C 33 69.135 69.135 71.576 -2.441 25961 5770 1 13 . 1 1 33 33 THR H H 33 7.985 7.985 8.162 -0.177 25961 5771 1 13 . 1 1 34 34 GLY N N 34 113.445 113.445 108.473 4.972 25961 5772 1 13 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.653 -1.581 25961 5773 1 13 . 1 1 34 34 GLY H H 34 8.698 8.698 8.675 0.023 25961 5774 1 13 . 1 1 35 35 SER N N 35 113.837 113.837 117.961 -4.124 25961 5775 1 13 . 1 1 35 35 SER HA H 35 4.264 4.264 4.636 -0.372 25961 5776 1 13 . 1 1 35 35 SER CA C 35 57.651 57.651 57.770 -0.119 25961 5777 1 13 . 1 1 35 35 SER CB C 35 63.056 63.056 63.521 -0.465 25961 5778 1 13 . 1 1 35 35 SER H H 35 8.039 8.039 8.057 -0.018 25961 5779 1 13 . 1 1 36 36 ASN N N 36 119.749 119.749 125.518 -5.769 25961 5780 1 13 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.443 0.141 25961 5781 1 13 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.112 -1.331 25961 5782 1 13 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.801 -0.615 25961 5783 1 13 . 1 1 36 36 ASN H H 36 8.767 8.767 9.294 -0.527 25961 5784 1 13 . 1 1 37 37 GLY N N 37 110.628 110.628 104.546 6.082 25961 5785 1 13 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.270 -0.685 25961 5786 1 13 . 1 1 37 37 GLY H H 37 8.496 8.496 7.812 0.684 25961 5787 1 13 . 1 1 38 38 GLY N N 38 108.654 108.654 110.602 -1.948 25961 5788 1 13 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.374 -1.274 25961 5789 1 13 . 1 1 38 38 GLY H H 38 7.955 7.955 8.430 -0.475 25961 5790 1 13 . 1 1 39 39 ALA N N 39 123.326 123.326 122.977 0.349 25961 5791 1 13 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.482 -0.271 25961 5792 1 13 . 1 1 39 39 ALA CA C 39 50.838 50.838 50.050 0.788 25961 5793 1 13 . 1 1 39 39 ALA CB C 39 18.729 18.729 18.658 0.071 25961 5794 1 13 . 1 1 39 39 ALA H H 39 8.028 8.028 7.751 0.277 25961 5795 1 13 . 1 1 40 40 ASP N N 40 119.573 119.573 120.195 -0.622 25961 5796 1 13 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.500 -0.113 25961 5797 1 13 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.780 -0.786 25961 5798 1 13 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.497 -0.870 25961 5799 1 13 . 1 1 40 40 ASP H H 40 8.261 8.261 7.766 0.495 25961 5800 1 13 . 1 1 41 41 LEU N N 41 123.899 123.899 123.042 0.857 25961 5801 1 13 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.380 0.062 25961 5802 1 13 . 1 1 41 41 LEU CA C 41 52.221 52.221 55.075 -2.854 25961 5803 1 13 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.309 -2.300 25961 5804 1 13 . 1 1 41 41 LEU H H 41 8.663 8.663 7.912 0.751 25961 5805 1 13 . 1 1 42 42 MET N N 42 119.684 119.684 119.240 0.444 25961 5806 1 13 . 1 1 42 42 MET HA H 42 4.730 4.730 4.676 0.054 25961 5807 1 13 . 1 1 42 42 MET CA C 42 54.695 54.695 55.401 -0.706 25961 5808 1 13 . 1 1 42 42 MET CB C 42 32.194 32.194 33.570 -1.376 25961 5809 1 13 . 1 1 42 42 MET H H 42 8.553 8.553 8.195 0.358 25961 5810 1 13 . 1 1 43 43 GLY N N 43 113.052 113.052 110.899 2.153 25961 5811 1 13 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.480 -3.102 25961 5812 1 13 . 1 1 43 43 GLY H H 43 8.618 8.618 8.673 -0.055 25961 5813 1 13 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.514 0.206 25961 5814 1 13 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.129 -2.898 25961 5815 1 13 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.584 0.369 25961 5816 1 13 . 1 1 45 45 ALA N N 45 120.693 120.693 121.486 -0.793 25961 5817 1 13 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.220 -0.236 25961 5818 1 13 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.806 -1.002 25961 5819 1 13 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.203 -0.236 25961 5820 1 13 . 1 1 45 45 ALA H H 45 7.524 7.524 8.257 -0.733 25961 5821 1 13 . 1 1 46 46 PHE N N 46 122.306 122.306 118.313 3.993 25961 5822 1 13 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.221 -0.259 25961 5823 1 13 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.450 0.875 25961 5824 1 13 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.329 -0.709 25961 5825 1 13 . 1 1 46 46 PHE H H 46 8.603 8.603 7.793 0.810 25961 5826 1 13 . 1 1 47 47 ALA N N 47 123.253 123.253 120.945 2.308 25961 5827 1 13 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.087 0.001 25961 5828 1 13 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.013 -0.062 25961 5829 1 13 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.543 -0.896 25961 5830 1 13 . 1 1 47 47 ALA H H 47 9.199 9.199 7.826 1.373 25961 5831 1 13 . 1 1 48 48 ALA N N 48 117.571 117.571 119.258 -1.687 25961 5832 1 13 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.470 -0.167 25961 5833 1 13 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.766 -0.079 25961 5834 1 13 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.277 -1.505 25961 5835 1 13 . 1 1 48 48 ALA H H 48 7.262 7.262 7.512 -0.250 25961 5836 1 13 . 1 1 49 49 GLY N N 49 103.229 103.229 107.510 -4.281 25961 5837 1 13 . 1 1 49 49 GLY CA C 49 43.619 43.619 45.038 -1.419 25961 5838 1 13 . 1 1 49 49 GLY H H 49 7.461 7.461 8.122 -0.661 25961 5839 1 13 . 1 1 50 50 LEU N N 50 120.470 120.470 119.375 1.095 25961 5840 1 13 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.253 -0.735 25961 5841 1 13 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.493 -1.081 25961 5842 1 13 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.578 -0.623 25961 5843 1 13 . 1 1 50 50 LEU H H 50 7.224 7.224 7.440 -0.216 25961 5844 1 13 . 1 1 51 51 ARG N N 51 119.645 119.645 124.383 -4.738 25961 5845 1 13 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.116 -1.625 25961 5846 1 13 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.006 -0.190 25961 5847 1 13 . 1 1 51 51 ARG H H 51 8.678 8.678 8.111 0.567 25961 5848 1 13 . 1 1 52 52 VAL N N 52 119.995 119.995 119.102 0.893 25961 5849 1 13 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.818 -0.595 25961 5850 1 13 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.374 0.844 25961 5851 1 13 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.503 -1.354 25961 5852 1 13 . 1 1 52 52 VAL H H 52 8.482 8.482 8.580 -0.098 25961 5853 1 13 . 1 1 53 53 GLY N N 53 117.052 117.052 115.512 1.540 25961 5854 1 13 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.806 -1.381 25961 5855 1 13 . 1 1 53 53 GLY H H 53 9.122 9.122 9.004 0.118 25961 5856 1 13 . 1 1 54 54 ASP N N 54 124.203 124.203 124.886 -0.683 25961 5857 1 13 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.524 0.309 25961 5858 1 13 . 1 1 54 54 ASP CA C 54 54.734 54.734 56.647 -1.913 25961 5859 1 13 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.316 -1.037 25961 5860 1 13 . 1 1 54 54 ASP H H 54 7.848 7.848 7.674 0.174 25961 5861 1 13 . 1 1 55 55 GLN N N 55 121.703 121.703 121.979 -0.276 25961 5862 1 13 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.927 -0.060 25961 5863 1 13 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.161 -1.635 25961 5864 1 13 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.469 -0.437 25961 5865 1 13 . 1 1 55 55 GLN H H 55 9.158 9.158 8.141 1.017 25961 5866 1 13 . 1 1 56 56 LEU N N 56 124.733 124.733 123.442 1.291 25961 5867 1 13 . 1 1 56 56 LEU HA H 56 4.187 4.187 3.762 0.425 25961 5868 1 13 . 1 1 56 56 LEU CA C 56 55.195 55.195 55.485 -0.290 25961 5869 1 13 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.351 0.662 25961 5870 1 13 . 1 1 56 56 LEU H H 56 8.770 8.770 8.593 0.177 25961 5871 1 13 . 1 1 57 57 VAL N N 57 123.383 123.383 124.152 -0.769 25961 5872 1 13 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.194 0.114 25961 5873 1 13 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.369 0.774 25961 5874 1 13 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.855 -0.220 25961 5875 1 13 . 1 1 57 57 VAL H H 57 8.889 8.889 7.438 1.451 25961 5876 1 13 . 1 1 58 58 ARG N N 58 118.094 118.094 118.149 -0.055 25961 5877 1 13 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.654 1.684 25961 5878 1 13 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.962 -2.750 25961 5879 1 13 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.640 5.973 25961 5880 1 13 . 1 1 58 58 ARG H H 58 8.531 8.531 7.342 1.189 25961 5881 1 13 . 1 1 59 59 PHE N N 59 123.332 123.332 116.551 6.781 25961 5882 1 13 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.549 0.386 25961 5883 1 13 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.238 0.618 25961 5884 1 13 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.806 0.165 25961 5885 1 13 . 1 1 59 59 PHE H H 59 9.295 9.295 7.503 1.792 25961 5886 1 13 . 1 1 60 60 ALA N N 60 127.537 127.537 125.374 2.163 25961 5887 1 13 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.244 -0.657 25961 5888 1 13 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.809 -0.435 25961 5889 1 13 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.988 -2.515 25961 5890 1 13 . 1 1 60 60 ALA H H 60 8.356 8.356 8.825 -0.469 25961 5891 1 13 . 1 1 61 61 GLY N N 61 103.058 103.058 111.354 -8.296 25961 5892 1 13 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.687 -0.900 25961 5893 1 13 . 1 1 61 61 GLY H H 61 9.178 9.178 8.105 1.073 25961 5894 1 13 . 1 1 62 62 TYR N N 62 120.218 120.218 116.746 3.472 25961 5895 1 13 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.065 0.565 25961 5896 1 13 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.298 -1.721 25961 5897 1 13 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.704 3.188 25961 5898 1 13 . 1 1 62 62 TYR H H 62 7.888 7.888 7.549 0.339 25961 5899 1 13 . 1 1 63 63 THR N N 63 120.933 120.933 113.402 7.531 25961 5900 1 13 . 1 1 63 63 THR HA H 63 4.479 4.479 4.965 -0.486 25961 5901 1 13 . 1 1 63 63 THR CA C 63 62.851 62.851 60.929 1.922 25961 5902 1 13 . 1 1 63 63 THR CB C 63 67.848 67.848 71.196 -3.348 25961 5903 1 13 . 1 1 63 63 THR H H 63 9.108 9.108 7.575 1.533 25961 5904 1 13 . 1 1 64 64 VAL N N 64 121.039 121.039 127.158 -6.119 25961 5905 1 13 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.610 -0.011 25961 5906 1 13 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.810 -0.943 25961 5907 1 13 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.939 -1.935 25961 5908 1 13 . 1 1 64 64 VAL H H 64 7.782 7.782 7.938 -0.156 25961 5909 1 13 . 1 1 65 65 THR N N 65 114.373 114.373 118.473 -4.100 25961 5910 1 13 . 1 1 65 65 THR HA H 65 4.452 4.452 4.326 0.126 25961 5911 1 13 . 1 1 65 65 THR CA C 65 60.536 60.536 63.015 -2.479 25961 5912 1 13 . 1 1 65 65 THR CB C 65 69.037 69.037 69.279 -0.242 25961 5913 1 13 . 1 1 65 65 THR H H 65 9.053 9.053 8.254 0.799 25961 5914 1 13 . 1 1 66 66 GLU N N 66 115.766 115.766 117.775 -2.009 25961 5915 1 13 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.486 0.077 25961 5916 1 13 . 1 1 66 66 GLU CA C 66 53.387 53.387 56.125 -2.738 25961 5917 1 13 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.505 1.060 25961 5918 1 13 . 1 1 66 66 GLU H H 66 7.345 7.345 7.739 -0.394 25961 5919 1 13 . 1 1 67 67 LEU N N 67 124.674 124.674 118.157 6.517 25961 5920 1 13 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.581 -0.647 25961 5921 1 13 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.530 0.005 25961 5922 1 13 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.005 0.048 25961 5923 1 13 . 1 1 67 67 LEU H H 67 8.906 8.906 8.628 0.278 25961 5924 1 13 . 1 1 68 68 ALA N N 68 120.493 120.493 121.697 -1.204 25961 5925 1 13 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.151 -0.015 25961 5926 1 13 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.982 -0.308 25961 5927 1 13 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.893 -1.372 25961 5928 1 13 . 1 1 68 68 ALA H H 68 9.022 9.022 8.301 0.721 25961 5929 1 13 . 1 1 69 69 ALA N N 69 119.695 119.695 121.165 -1.470 25961 5930 1 13 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.326 -0.164 25961 5931 1 13 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.494 -0.474 25961 5932 1 13 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.531 -0.868 25961 5933 1 13 . 1 1 69 69 ALA H H 69 7.258 7.258 8.176 -0.918 25961 5934 1 13 . 1 1 70 70 PHE N N 70 119.274 119.274 119.564 -0.290 25961 5935 1 13 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.175 -0.216 25961 5936 1 13 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.919 0.041 25961 5937 1 13 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.659 -1.227 25961 5938 1 13 . 1 1 70 70 PHE H H 70 7.769 7.769 8.290 -0.521 25961 5939 1 13 . 1 1 71 71 ASN N N 71 117.363 117.363 117.629 -0.266 25961 5940 1 13 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.315 -0.213 25961 5941 1 13 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.337 -2.640 25961 5942 1 13 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.694 -2.621 25961 5943 1 13 . 1 1 71 71 ASN H H 71 8.801 8.801 8.008 0.793 25961 5944 1 13 . 1 1 72 72 THR N N 72 119.746 119.746 114.768 4.978 25961 5945 1 13 . 1 1 72 72 THR HA H 72 4.220 4.220 4.074 0.146 25961 5946 1 13 . 1 1 72 72 THR CA C 72 65.927 65.927 65.809 0.118 25961 5947 1 13 . 1 1 72 72 THR CB C 72 67.600 67.600 68.617 -1.017 25961 5948 1 13 . 1 1 72 72 THR H H 72 8.109 8.109 7.576 0.533 25961 5949 1 13 . 1 1 73 73 VAL N N 73 123.156 123.156 122.538 0.618 25961 5950 1 13 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.747 -0.292 25961 5951 1 13 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.267 -0.111 25961 5952 1 13 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.332 -0.996 25961 5953 1 13 . 1 1 73 73 VAL H H 73 7.744 7.744 7.361 0.383 25961 5954 1 13 . 1 1 74 74 VAL N N 74 120.420 120.420 120.050 0.370 25961 5955 1 13 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.465 -0.099 25961 5956 1 13 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.253 -0.655 25961 5957 1 13 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.345 0.140 25961 5958 1 13 . 1 1 74 74 VAL H H 74 8.154 8.154 8.191 -0.037 25961 5959 1 13 . 1 1 75 75 ALA N N 75 120.206 120.206 122.431 -2.225 25961 5960 1 13 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.031 -0.036 25961 5961 1 13 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.039 -1.040 25961 5962 1 13 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.474 -1.510 25961 5963 1 13 . 1 1 75 75 ALA H H 75 7.788 7.788 7.497 0.291 25961 5964 1 13 . 1 1 76 76 ARG N N 76 114.701 114.701 115.580 -0.879 25961 5965 1 13 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.225 -0.140 25961 5966 1 13 . 1 1 76 76 ARG CA C 76 56.982 56.982 56.870 0.112 25961 5967 1 13 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.278 0.406 25961 5968 1 13 . 1 1 76 76 ARG H H 76 7.705 7.705 7.460 0.245 25961 5969 1 13 . 1 1 77 77 HIS N N 77 112.695 112.695 120.156 -7.461 25961 5970 1 13 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.478 0.333 25961 5971 1 13 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.265 -1.104 25961 5972 1 13 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.556 0.477 25961 5973 1 13 . 1 1 77 77 HIS H H 77 8.123 8.123 7.937 0.186 25961 5974 1 13 . 1 1 78 78 VAL N N 78 119.219 119.219 117.024 2.195 25961 5975 1 13 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.631 0.262 25961 5976 1 13 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.761 -0.196 25961 5977 1 13 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.351 -1.223 25961 5978 1 13 . 1 1 78 78 VAL H H 78 8.034 8.034 7.839 0.195 25961 5979 1 13 . 1 1 79 79 ARG N N 79 126.908 126.908 126.215 0.693 25961 5980 1 13 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.681 -1.319 25961 5981 1 13 . 1 1 79 79 ARG CB C 79 30.191 30.191 34.057 -3.866 25961 5982 1 13 . 1 1 79 79 ARG H H 79 7.023 7.023 7.946 -0.923 25961 5983 1 13 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.541 -0.516 25961 5984 1 13 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.341 0.229 25961 5985 1 13 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.579 -0.367 25961 5986 1 13 . 1 1 81 81 SER N N 81 115.039 115.039 114.564 0.475 25961 5987 1 13 . 1 1 81 81 SER HA H 81 4.047 4.047 3.986 0.061 25961 5988 1 13 . 1 1 81 81 SER CA C 81 60.713 60.713 59.539 1.174 25961 5989 1 13 . 1 1 81 81 SER H H 81 8.210 8.210 8.417 -0.207 25961 5990 1 13 . 1 1 82 82 ALA N N 82 123.546 123.546 123.919 -0.373 25961 5991 1 13 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.427 -0.081 25961 5992 1 13 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.864 -0.358 25961 5993 1 13 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.811 -0.716 25961 5994 1 13 . 1 1 82 82 ALA H H 82 7.770 7.770 7.321 0.449 25961 5995 1 13 . 1 1 83 83 SER N N 83 116.753 116.753 119.646 -2.893 25961 5996 1 13 . 1 1 83 83 SER HA H 83 5.129 5.129 5.117 0.012 25961 5997 1 13 . 1 1 83 83 SER CA C 83 56.582 56.582 56.987 -0.405 25961 5998 1 13 . 1 1 83 83 SER CB C 83 62.554 62.554 64.542 -1.988 25961 5999 1 13 . 1 1 83 83 SER H H 83 8.524 8.524 8.545 -0.021 25961 6000 1 13 . 1 1 84 84 ILE N N 84 126.985 126.985 119.139 7.846 25961 6001 1 13 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.624 -2.838 25961 6002 1 13 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.872 -1.448 25961 6003 1 13 . 1 1 84 84 ILE H H 84 9.599 9.599 8.337 1.262 25961 6004 1 13 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.550 0.395 25961 6005 1 13 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.606 -1.052 25961 6006 1 13 . 1 1 85 85 PRO CB C 85 31.427 31.427 32.201 -0.774 25961 6007 1 13 . 1 1 86 86 VAL N N 86 123.811 123.811 122.727 1.084 25961 6008 1 13 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.205 0.644 25961 6009 1 13 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.879 -1.106 25961 6010 1 13 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.690 -1.046 25961 6011 1 13 . 1 1 86 86 VAL H H 86 9.033 9.033 8.012 1.021 25961 6012 1 13 . 1 1 87 87 VAL N N 87 127.839 127.839 123.606 4.233 25961 6013 1 13 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.415 0.557 25961 6014 1 13 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.813 -0.120 25961 6015 1 13 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.490 -1.072 25961 6016 1 13 . 1 1 87 87 VAL H H 87 9.132 9.132 8.273 0.859 25961 6017 1 13 . 1 1 88 88 PHE N N 88 127.301 127.301 128.669 -1.368 25961 6018 1 13 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.184 0.434 25961 6019 1 13 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.527 -2.316 25961 6020 1 13 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.804 -2.803 25961 6021 1 13 . 1 1 88 88 PHE H H 88 9.248 9.248 8.242 1.006 25961 6022 1 13 . 1 1 89 89 SER N N 89 113.734 113.734 115.322 -1.588 25961 6023 1 13 . 1 1 89 89 SER HA H 89 5.336 5.336 5.245 0.091 25961 6024 1 13 . 1 1 89 89 SER CA C 89 54.452 54.452 57.223 -2.771 25961 6025 1 13 . 1 1 89 89 SER CB C 89 64.474 64.474 66.389 -1.915 25961 6026 1 13 . 1 1 89 89 SER H H 89 9.689 9.689 8.474 1.215 25961 6027 1 13 . 1 1 90 90 ARG N N 90 128.114 128.114 123.601 4.513 25961 6028 1 13 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.554 0.193 25961 6029 1 13 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.231 -1.109 25961 6030 1 13 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.201 1.135 25961 6031 1 13 . 1 1 90 90 ARG H H 90 8.561 8.561 8.160 0.401 25961 6032 1 13 . 1 1 91 91 ASP N N 91 129.790 129.790 124.495 5.295 25961 6033 1 13 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.343 -0.074 25961 6034 1 13 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.383 -0.882 25961 6035 1 13 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.995 0.086 25961 6036 1 13 . 1 1 91 91 ASP H H 91 9.461 9.461 8.717 0.744 25961 6037 1 13 . 1 1 92 92 GLY N N 92 102.404 102.404 104.143 -1.739 25961 6038 1 13 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.746 -0.441 25961 6039 1 13 . 1 1 92 92 GLY H H 92 8.391 8.391 8.398 -0.007 25961 6040 1 13 . 1 1 93 93 VAL N N 93 123.090 123.090 121.313 1.777 25961 6041 1 13 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.840 0.162 25961 6042 1 13 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.173 -1.907 25961 6043 1 13 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.770 -0.952 25961 6044 1 13 . 1 1 93 93 VAL H H 93 7.682 7.682 7.405 0.277 25961 6045 1 13 . 1 1 94 94 VAL N N 94 128.414 128.414 126.525 1.889 25961 6046 1 13 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.899 0.235 25961 6047 1 13 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.852 0.488 25961 6048 1 13 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.142 -2.026 25961 6049 1 13 . 1 1 94 94 VAL H H 94 8.400 8.400 8.305 0.095 25961 6050 1 13 . 1 1 95 95 MET N N 95 129.196 129.196 128.572 0.624 25961 6051 1 13 . 1 1 95 95 MET HA H 95 4.352 4.352 4.917 -0.565 25961 6052 1 13 . 1 1 95 95 MET CA C 95 53.674 53.674 54.315 -0.641 25961 6053 1 13 . 1 1 95 95 MET CB C 95 36.104 36.104 37.068 -0.964 25961 6054 1 13 . 1 1 95 95 MET H H 95 9.100 9.100 8.517 0.583 25961 6055 1 13 . 1 1 96 96 SER N N 96 111.540 111.540 117.330 -5.790 25961 6056 1 13 . 1 1 96 96 SER HA H 96 5.469 5.469 5.031 0.438 25961 6057 1 13 . 1 1 96 96 SER CA C 96 55.830 55.830 57.359 -1.529 25961 6058 1 13 . 1 1 96 96 SER CB C 96 65.471 65.471 65.117 0.354 25961 6059 1 13 . 1 1 96 96 SER H H 96 8.004 8.004 8.341 -0.337 25961 6060 1 13 . 1 1 97 97 ALA N N 97 124.079 124.079 128.407 -4.328 25961 6061 1 13 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.738 0.050 25961 6062 1 13 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.887 -1.488 25961 6063 1 13 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.955 0.589 25961 6064 1 13 . 1 1 97 97 ALA H H 97 9.145 9.145 8.141 1.004 25961 6065 1 13 . 1 1 98 98 THR N N 98 117.342 117.342 117.793 -0.451 25961 6066 1 13 . 1 1 98 98 THR HA H 98 4.823 4.823 4.348 0.475 25961 6067 1 13 . 1 1 98 98 THR CA C 98 61.053 61.053 62.575 -1.522 25961 6068 1 13 . 1 1 98 98 THR CB C 98 69.913 69.913 69.319 0.594 25961 6069 1 13 . 1 1 98 98 THR H H 98 8.754 8.754 8.429 0.325 25961 6070 1 13 . 1 1 99 99 ILE N N 99 125.689 125.689 126.405 -0.716 25961 6071 1 13 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.456 -0.345 25961 6072 1 13 . 1 1 99 99 ILE CA C 99 59.369 59.369 58.752 0.617 25961 6073 1 13 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.267 1.424 25961 6074 1 13 . 1 1 99 99 ILE H H 99 8.868 8.868 8.005 0.864 25961 6075 1 13 . 1 1 100 100 VAL N N 100 129.871 129.871 128.071 1.800 25961 6076 1 13 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.652 0.014 25961 6077 1 13 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.102 -0.235 25961 6078 1 13 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.467 -2.857 25961 6079 1 13 . 1 1 100 100 VAL H H 100 8.818 8.818 8.514 0.304 25961 6080 1 13 . 1 1 101 101 VAL N N 101 128.299 128.299 127.544 0.755 25961 6081 1 13 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.344 -0.975 25961 6082 1 13 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.736 3.591 25961 6083 1 13 . 1 1 101 101 VAL CB C 101 30.974 30.974 34.195 -3.221 25961 6084 1 13 . 1 1 101 101 VAL H H 101 8.795 8.795 7.816 0.979 25961 6085 1 13 . 1 1 102 102 GLY N N 102 115.466 115.466 109.290 6.176 25961 6086 1 13 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.357 -0.677 25961 6087 1 13 . 1 1 102 102 GLY H H 102 8.393 8.393 8.238 0.155 25961 6088 1 13 . 1 1 103 103 GLU N N 103 119.459 119.459 124.685 -5.226 25961 6089 1 13 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.197 0.758 25961 6090 1 13 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.924 -3.178 25961 6091 1 13 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.582 1.619 25961 6092 1 13 . 1 1 103 103 GLU H H 103 8.386 8.386 8.102 0.284 25961 6093 1 13 . 1 1 104 104 LEU N N 104 123.881 123.881 110.534 13.347 25961 6094 1 13 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.660 0.040 25961 6095 1 13 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.077 -1.510 25961 6096 1 13 . 1 1 104 104 LEU CB C 104 44.058 44.058 43.638 0.420 25961 6097 1 13 . 1 1 104 104 LEU H H 104 8.735 8.735 7.213 1.522 25961 6098 1 14 . 1 1 2 2 LEU N N 2 122.611 122.611 118.737 3.874 25961 6099 1 14 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.730 -0.338 25961 6100 1 14 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.607 -1.275 25961 6101 1 14 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.505 -3.188 25961 6102 1 14 . 1 1 2 2 LEU H H 2 8.535 8.535 8.319 0.216 25961 6103 1 14 . 1 1 3 3 THR N N 3 112.475 112.475 114.292 -1.817 25961 6104 1 14 . 1 1 3 3 THR HA H 3 4.777 4.777 4.727 0.050 25961 6105 1 14 . 1 1 3 3 THR CA C 3 59.259 59.259 59.721 -0.462 25961 6106 1 14 . 1 1 3 3 THR CB C 3 70.185 70.185 70.762 -0.577 25961 6107 1 14 . 1 1 3 3 THR H H 3 7.903 7.903 8.275 -0.372 25961 6108 1 14 . 1 1 4 4 ARG N N 4 120.183 120.183 122.265 -2.082 25961 6109 1 14 . 1 1 4 4 ARG H H 4 8.809 8.809 8.418 0.391 25961 6110 1 14 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.353 0.019 25961 6111 1 14 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.257 1.760 25961 6112 1 14 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.348 1.240 25961 6113 1 14 . 1 1 6 6 TYR N N 6 120.727 120.727 123.798 -3.071 25961 6114 1 14 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.704 -0.070 25961 6115 1 14 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.477 -1.401 25961 6116 1 14 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.471 -0.417 25961 6117 1 14 . 1 1 6 6 TYR H H 6 7.530 7.530 8.076 -0.546 25961 6118 1 14 . 1 1 7 7 LEU N N 7 126.575 126.575 122.975 3.600 25961 6119 1 14 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.077 -0.670 25961 6120 1 14 . 1 1 7 7 LEU H H 7 8.500 8.500 8.029 0.471 25961 6121 1 14 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.996 0.711 25961 6122 1 14 . 1 1 9 9 PHE N N 9 114.612 114.612 116.541 -1.929 25961 6123 1 14 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.849 0.509 25961 6124 1 14 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.171 0.091 25961 6125 1 14 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.815 -1.361 25961 6126 1 14 . 1 1 9 9 PHE H H 9 7.102 7.102 7.552 -0.450 25961 6127 1 14 . 1 1 10 10 ARG N N 10 117.800 117.800 120.291 -2.491 25961 6128 1 14 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.472 0.199 25961 6129 1 14 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.780 -1.381 25961 6130 1 14 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.599 1.216 25961 6131 1 14 . 1 1 10 10 ARG H H 10 8.206 8.206 8.528 -0.322 25961 6132 1 14 . 1 1 11 11 VAL N N 11 117.216 117.216 115.469 1.747 25961 6133 1 14 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.220 -0.053 25961 6134 1 14 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.990 -1.800 25961 6135 1 14 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.558 -1.683 25961 6136 1 14 . 1 1 11 11 VAL H H 11 8.601 8.601 8.155 0.446 25961 6137 1 14 . 1 1 12 12 ALA N N 12 123.025 123.025 128.529 -5.504 25961 6138 1 14 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.800 -0.220 25961 6139 1 14 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.897 -1.354 25961 6140 1 14 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.667 1.115 25961 6141 1 14 . 1 1 12 12 ALA H H 12 8.861 8.861 8.122 0.739 25961 6142 1 14 . 1 1 13 13 VAL N N 13 121.395 121.395 122.810 -1.415 25961 6143 1 14 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.004 0.547 25961 6144 1 14 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.411 -1.128 25961 6145 1 14 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.417 -0.723 25961 6146 1 14 . 1 1 13 13 VAL H H 13 8.585 8.585 8.722 -0.137 25961 6147 1 14 . 1 1 14 14 GLY N N 14 117.546 117.546 115.603 1.943 25961 6148 1 14 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.366 -1.982 25961 6149 1 14 . 1 1 14 14 GLY H H 14 8.789 8.789 8.341 0.448 25961 6150 1 14 . 1 1 15 15 ARG N N 15 120.075 120.075 119.295 0.780 25961 6151 1 14 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.860 0.250 25961 6152 1 14 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.776 -0.883 25961 6153 1 14 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.356 0.400 25961 6154 1 14 . 1 1 15 15 ARG H H 15 8.299 8.299 8.359 -0.060 25961 6155 1 14 . 1 1 16 16 ASP N N 16 123.872 123.872 121.223 2.649 25961 6156 1 14 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.859 -0.114 25961 6157 1 14 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.952 -1.581 25961 6158 1 14 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.737 -0.986 25961 6159 1 14 . 1 1 16 16 ASP H H 16 8.619 8.619 8.367 0.252 25961 6160 1 14 . 1 1 17 17 SER N N 17 114.309 114.309 114.181 0.128 25961 6161 1 14 . 1 1 17 17 SER HA H 17 4.196 4.196 4.306 -0.110 25961 6162 1 14 . 1 1 17 17 SER CA C 17 59.950 59.950 60.282 -0.332 25961 6163 1 14 . 1 1 17 17 SER CB C 17 61.825 61.825 63.581 -1.756 25961 6164 1 14 . 1 1 17 17 SER H H 17 8.624 8.624 8.137 0.487 25961 6165 1 14 . 1 1 18 18 SER N N 18 117.903 117.903 114.880 3.023 25961 6166 1 14 . 1 1 18 18 SER HA H 18 4.597 4.597 4.531 0.066 25961 6167 1 14 . 1 1 18 18 SER CA C 18 57.732 57.732 59.981 -2.249 25961 6168 1 14 . 1 1 18 18 SER CB C 18 63.470 63.470 63.782 -0.312 25961 6169 1 14 . 1 1 18 18 SER H H 18 8.385 8.385 8.065 0.320 25961 6170 1 14 . 1 1 19 19 GLY N N 19 109.883 109.883 108.915 0.968 25961 6171 1 14 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.805 -0.634 25961 6172 1 14 . 1 1 19 19 GLY H H 19 8.214 8.214 8.081 0.133 25961 6173 1 14 . 1 1 20 20 CYS N N 20 122.167 122.167 119.091 3.076 25961 6174 1 14 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.607 -0.119 25961 6175 1 14 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.949 0.088 25961 6176 1 14 . 1 1 20 20 CYS CB C 20 26.685 26.685 30.021 -3.336 25961 6177 1 14 . 1 1 20 20 CYS H H 20 8.286 8.286 8.117 0.169 25961 6178 1 14 . 1 1 21 21 THR N N 21 119.387 119.387 115.077 4.310 25961 6179 1 14 . 1 1 21 21 THR HA H 21 4.764 4.764 3.959 0.805 25961 6180 1 14 . 1 1 21 21 THR CA C 21 61.953 61.953 63.681 -1.728 25961 6181 1 14 . 1 1 21 21 THR CB C 21 68.795 68.795 67.035 1.760 25961 6182 1 14 . 1 1 21 21 THR H H 21 8.626 8.626 8.084 0.542 25961 6183 1 14 . 1 1 22 22 THR N N 22 116.611 116.611 115.104 1.507 25961 6184 1 14 . 1 1 22 22 THR HA H 22 4.513 4.513 4.668 -0.155 25961 6185 1 14 . 1 1 22 22 THR CA C 22 58.918 58.918 60.256 -1.338 25961 6186 1 14 . 1 1 22 22 THR CB C 22 71.128 71.128 70.683 0.445 25961 6187 1 14 . 1 1 22 22 THR H H 22 8.343 8.343 7.933 0.410 25961 6188 1 14 . 1 1 23 23 LEU N N 23 122.893 122.893 125.195 -2.302 25961 6189 1 14 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.887 0.045 25961 6190 1 14 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.205 -1.718 25961 6191 1 14 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.922 -1.657 25961 6192 1 14 . 1 1 23 23 LEU H H 23 9.157 9.157 8.634 0.523 25961 6193 1 14 . 1 1 24 24 SER N N 24 116.771 116.771 114.008 2.763 25961 6194 1 14 . 1 1 24 24 SER HA H 24 5.173 5.173 4.669 0.504 25961 6195 1 14 . 1 1 24 24 SER CA C 24 55.247 55.247 56.872 -1.625 25961 6196 1 14 . 1 1 24 24 SER CB C 24 64.841 64.841 65.267 -0.426 25961 6197 1 14 . 1 1 24 24 SER H H 24 8.656 8.656 7.835 0.821 25961 6198 1 14 . 1 1 25 25 ILE N N 25 122.747 122.747 123.834 -1.087 25961 6199 1 14 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.598 -0.567 25961 6200 1 14 . 1 1 25 25 ILE CA C 25 61.270 61.270 61.087 0.183 25961 6201 1 14 . 1 1 25 25 ILE CB C 25 34.649 34.649 38.349 -3.700 25961 6202 1 14 . 1 1 25 25 ILE H H 25 9.023 9.023 8.015 1.008 25961 6203 1 14 . 1 1 26 26 GLN N N 26 129.779 129.779 125.874 3.905 25961 6204 1 14 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.394 0.035 25961 6205 1 14 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.868 -2.281 25961 6206 1 14 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.396 -0.120 25961 6207 1 14 . 1 1 26 26 GLN H H 26 9.093 9.093 8.469 0.624 25961 6208 1 14 . 1 1 27 27 GLU N N 27 118.722 118.722 117.712 1.010 25961 6209 1 14 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.925 0.039 25961 6210 1 14 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.046 -0.024 25961 6211 1 14 . 1 1 27 27 GLU H H 27 7.479 7.479 8.018 -0.539 25961 6212 1 14 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.359 0.084 25961 6213 1 14 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.978 -0.823 25961 6214 1 14 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.716 0.964 25961 6215 1 14 . 1 1 29 29 THR N N 29 124.459 124.459 119.357 5.102 25961 6216 1 14 . 1 1 29 29 THR HA H 29 4.183 4.183 4.385 -0.202 25961 6217 1 14 . 1 1 29 29 THR CA C 29 62.474 62.474 61.826 0.648 25961 6218 1 14 . 1 1 29 29 THR CB C 29 68.811 68.811 68.986 -0.175 25961 6219 1 14 . 1 1 29 29 THR H H 29 8.009 8.009 8.534 -0.525 25961 6220 1 14 . 1 1 30 30 GLN N N 30 130.053 130.053 119.829 10.224 25961 6221 1 14 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.416 -0.894 25961 6222 1 14 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.406 1.480 25961 6223 1 14 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.759 -1.454 25961 6224 1 14 . 1 1 30 30 GLN H H 30 9.321 9.321 8.662 0.659 25961 6225 1 14 . 1 1 31 31 THR N N 31 111.234 111.234 107.173 4.061 25961 6226 1 14 . 1 1 31 31 THR HA H 31 5.509 5.509 4.552 0.957 25961 6227 1 14 . 1 1 31 31 THR CA C 31 58.798 58.798 61.140 -2.342 25961 6228 1 14 . 1 1 31 31 THR CB C 31 71.374 71.374 69.389 1.985 25961 6229 1 14 . 1 1 31 31 THR H H 31 7.630 7.630 7.890 -0.260 25961 6230 1 14 . 1 1 32 32 TYR N N 32 121.998 121.998 120.616 1.382 25961 6231 1 14 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.783 0.020 25961 6232 1 14 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.689 -2.890 25961 6233 1 14 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.427 -2.709 25961 6234 1 14 . 1 1 32 32 TYR H H 32 9.359 9.359 7.521 1.838 25961 6235 1 14 . 1 1 33 33 THR N N 33 114.039 114.039 115.917 -1.878 25961 6236 1 14 . 1 1 33 33 THR HA H 33 4.390 4.390 4.643 -0.253 25961 6237 1 14 . 1 1 33 33 THR CA C 33 59.896 59.896 61.207 -1.311 25961 6238 1 14 . 1 1 33 33 THR CB C 33 69.135 69.135 72.103 -2.968 25961 6239 1 14 . 1 1 33 33 THR H H 33 7.985 7.985 7.934 0.051 25961 6240 1 14 . 1 1 34 34 GLY N N 34 113.445 113.445 108.574 4.871 25961 6241 1 14 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.702 -1.630 25961 6242 1 14 . 1 1 34 34 GLY H H 34 8.698 8.698 8.411 0.287 25961 6243 1 14 . 1 1 35 35 SER N N 35 113.837 113.837 116.267 -2.430 25961 6244 1 14 . 1 1 35 35 SER HA H 35 4.264 4.264 4.623 -0.359 25961 6245 1 14 . 1 1 35 35 SER CA C 35 57.651 57.651 57.140 0.511 25961 6246 1 14 . 1 1 35 35 SER CB C 35 63.056 63.056 64.477 -1.421 25961 6247 1 14 . 1 1 35 35 SER H H 35 8.039 8.039 7.953 0.086 25961 6248 1 14 . 1 1 36 36 ASN N N 36 119.749 119.749 121.841 -2.092 25961 6249 1 14 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.410 0.174 25961 6250 1 14 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.097 -1.316 25961 6251 1 14 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.940 -0.754 25961 6252 1 14 . 1 1 36 36 ASN H H 36 8.767 8.767 9.025 -0.258 25961 6253 1 14 . 1 1 37 37 GLY N N 37 110.628 110.628 103.165 7.463 25961 6254 1 14 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.330 -0.744 25961 6255 1 14 . 1 1 37 37 GLY H H 37 8.496 8.496 7.769 0.727 25961 6256 1 14 . 1 1 38 38 GLY N N 38 108.654 108.654 109.441 -0.787 25961 6257 1 14 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.987 -0.887 25961 6258 1 14 . 1 1 38 38 GLY H H 38 7.955 7.955 8.073 -0.118 25961 6259 1 14 . 1 1 39 39 ALA N N 39 123.326 123.326 124.001 -0.675 25961 6260 1 14 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.304 -0.093 25961 6261 1 14 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.729 -0.891 25961 6262 1 14 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.882 -2.153 25961 6263 1 14 . 1 1 39 39 ALA H H 39 8.028 8.028 7.615 0.413 25961 6264 1 14 . 1 1 40 40 ASP N N 40 119.573 119.573 120.853 -1.280 25961 6265 1 14 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.515 -0.128 25961 6266 1 14 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.652 0.342 25961 6267 1 14 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.588 -0.961 25961 6268 1 14 . 1 1 40 40 ASP H H 40 8.261 8.261 8.158 0.103 25961 6269 1 14 . 1 1 41 41 LEU N N 41 123.899 123.899 122.854 1.045 25961 6270 1 14 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.460 -0.018 25961 6271 1 14 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.561 -2.340 25961 6272 1 14 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.655 -2.646 25961 6273 1 14 . 1 1 41 41 LEU H H 41 8.663 8.663 8.095 0.568 25961 6274 1 14 . 1 1 42 42 MET N N 42 119.684 119.684 118.125 1.559 25961 6275 1 14 . 1 1 42 42 MET HA H 42 4.730 4.730 4.716 0.014 25961 6276 1 14 . 1 1 42 42 MET CA C 42 54.695 54.695 54.848 -0.153 25961 6277 1 14 . 1 1 42 42 MET CB C 42 32.194 32.194 33.161 -0.967 25961 6278 1 14 . 1 1 42 42 MET H H 42 8.553 8.553 8.180 0.373 25961 6279 1 14 . 1 1 43 43 GLY N N 43 113.052 113.052 112.891 0.161 25961 6280 1 14 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.302 -2.924 25961 6281 1 14 . 1 1 43 43 GLY H H 43 8.618 8.618 8.649 -0.031 25961 6282 1 14 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.408 0.312 25961 6283 1 14 . 1 1 44 44 PRO CA C 44 61.231 61.231 65.097 -3.866 25961 6284 1 14 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.487 0.466 25961 6285 1 14 . 1 1 45 45 ALA N N 45 120.693 120.693 121.987 -1.294 25961 6286 1 14 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.109 -0.125 25961 6287 1 14 . 1 1 45 45 ALA CA C 45 53.804 53.804 55.016 -1.212 25961 6288 1 14 . 1 1 45 45 ALA CB C 45 17.967 17.967 17.967 -0.000 25961 6289 1 14 . 1 1 45 45 ALA H H 45 7.524 7.524 8.516 -0.992 25961 6290 1 14 . 1 1 46 46 PHE N N 46 122.306 122.306 118.376 3.930 25961 6291 1 14 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.157 -0.195 25961 6292 1 14 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.833 0.493 25961 6293 1 14 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.035 -0.415 25961 6294 1 14 . 1 1 46 46 PHE H H 46 8.603 8.603 8.159 0.444 25961 6295 1 14 . 1 1 47 47 ALA N N 47 123.253 123.253 121.156 2.097 25961 6296 1 14 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.048 0.040 25961 6297 1 14 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.173 -0.222 25961 6298 1 14 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.277 -0.630 25961 6299 1 14 . 1 1 47 47 ALA H H 47 9.199 9.199 7.556 1.643 25961 6300 1 14 . 1 1 48 48 ALA N N 48 117.571 117.571 119.655 -2.084 25961 6301 1 14 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.211 0.092 25961 6302 1 14 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.050 -0.363 25961 6303 1 14 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.792 -1.020 25961 6304 1 14 . 1 1 48 48 ALA H H 48 7.262 7.262 7.471 -0.209 25961 6305 1 14 . 1 1 49 49 GLY N N 49 103.229 103.229 107.626 -4.397 25961 6306 1 14 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.835 -1.216 25961 6307 1 14 . 1 1 49 49 GLY H H 49 7.461 7.461 7.821 -0.360 25961 6308 1 14 . 1 1 50 50 LEU N N 50 120.470 120.470 121.884 -1.414 25961 6309 1 14 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.235 -0.717 25961 6310 1 14 . 1 1 50 50 LEU CA C 50 54.412 54.412 56.045 -1.633 25961 6311 1 14 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.212 -0.257 25961 6312 1 14 . 1 1 50 50 LEU H H 50 7.224 7.224 7.745 -0.521 25961 6313 1 14 . 1 1 51 51 ARG N N 51 119.645 119.645 123.734 -4.089 25961 6314 1 14 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.523 -2.031 25961 6315 1 14 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.248 -0.432 25961 6316 1 14 . 1 1 51 51 ARG H H 51 8.678 8.678 8.117 0.561 25961 6317 1 14 . 1 1 52 52 VAL N N 52 119.995 119.995 118.502 1.493 25961 6318 1 14 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.871 -0.648 25961 6319 1 14 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.505 1.714 25961 6320 1 14 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.217 -1.068 25961 6321 1 14 . 1 1 52 52 VAL H H 52 8.482 8.482 8.256 0.226 25961 6322 1 14 . 1 1 53 53 GLY N N 53 117.052 117.052 116.626 0.426 25961 6323 1 14 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.956 -1.531 25961 6324 1 14 . 1 1 53 53 GLY H H 53 9.122 9.122 8.831 0.291 25961 6325 1 14 . 1 1 54 54 ASP N N 54 124.203 124.203 124.606 -0.403 25961 6326 1 14 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.638 0.195 25961 6327 1 14 . 1 1 54 54 ASP CA C 54 54.734 54.734 55.524 -0.790 25961 6328 1 14 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.718 -1.439 25961 6329 1 14 . 1 1 54 54 ASP H H 54 7.848 7.848 8.050 -0.202 25961 6330 1 14 . 1 1 55 55 GLN N N 55 121.703 121.703 118.791 2.912 25961 6331 1 14 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.484 0.383 25961 6332 1 14 . 1 1 55 55 GLN CA C 55 53.526 53.526 54.603 -1.077 25961 6333 1 14 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.756 -1.724 25961 6334 1 14 . 1 1 55 55 GLN H H 55 9.158 9.158 7.873 1.285 25961 6335 1 14 . 1 1 56 56 LEU N N 56 124.733 124.733 121.930 2.803 25961 6336 1 14 . 1 1 56 56 LEU HA H 56 4.187 4.187 3.716 0.471 25961 6337 1 14 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.743 0.452 25961 6338 1 14 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.818 0.195 25961 6339 1 14 . 1 1 56 56 LEU H H 56 8.770 8.770 8.299 0.471 25961 6340 1 14 . 1 1 57 57 VAL N N 57 123.383 123.383 123.382 0.001 25961 6341 1 14 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.269 0.039 25961 6342 1 14 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.355 0.788 25961 6343 1 14 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.669 -1.034 25961 6344 1 14 . 1 1 57 57 VAL H H 57 8.889 8.889 7.688 1.201 25961 6345 1 14 . 1 1 58 58 ARG N N 58 118.094 118.094 117.927 0.167 25961 6346 1 14 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.885 1.453 25961 6347 1 14 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.261 -3.049 25961 6348 1 14 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.946 5.667 25961 6349 1 14 . 1 1 58 58 ARG H H 58 8.531 8.531 7.741 0.790 25961 6350 1 14 . 1 1 59 59 PHE N N 59 123.332 123.332 115.721 7.611 25961 6351 1 14 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.667 0.268 25961 6352 1 14 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.453 1.403 25961 6353 1 14 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.292 1.679 25961 6354 1 14 . 1 1 59 59 PHE H H 59 9.295 9.295 7.559 1.736 25961 6355 1 14 . 1 1 60 60 ALA N N 60 127.537 127.537 125.668 1.869 25961 6356 1 14 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.383 -0.796 25961 6357 1 14 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.030 -0.656 25961 6358 1 14 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.585 -2.112 25961 6359 1 14 . 1 1 60 60 ALA H H 60 8.356 8.356 8.812 -0.456 25961 6360 1 14 . 1 1 61 61 GLY N N 61 103.058 103.058 112.775 -9.717 25961 6361 1 14 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.716 -0.929 25961 6362 1 14 . 1 1 61 61 GLY H H 61 9.178 9.178 7.904 1.274 25961 6363 1 14 . 1 1 62 62 TYR N N 62 120.218 120.218 117.290 2.928 25961 6364 1 14 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.173 0.457 25961 6365 1 14 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.260 -1.683 25961 6366 1 14 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.341 3.551 25961 6367 1 14 . 1 1 62 62 TYR H H 62 7.888 7.888 7.644 0.244 25961 6368 1 14 . 1 1 63 63 THR N N 63 120.933 120.933 112.827 8.106 25961 6369 1 14 . 1 1 63 63 THR HA H 63 4.479 4.479 5.027 -0.548 25961 6370 1 14 . 1 1 63 63 THR CA C 63 62.851 62.851 60.564 2.287 25961 6371 1 14 . 1 1 63 63 THR CB C 63 67.848 67.848 71.686 -3.838 25961 6372 1 14 . 1 1 63 63 THR H H 63 9.108 9.108 7.662 1.446 25961 6373 1 14 . 1 1 64 64 VAL N N 64 121.039 121.039 122.615 -1.576 25961 6374 1 14 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.595 0.004 25961 6375 1 14 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.171 -2.304 25961 6376 1 14 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.215 -2.211 25961 6377 1 14 . 1 1 64 64 VAL H H 64 7.782 7.782 8.358 -0.576 25961 6378 1 14 . 1 1 65 65 THR N N 65 114.373 114.373 117.332 -2.959 25961 6379 1 14 . 1 1 65 65 THR HA H 65 4.452 4.452 4.497 -0.045 25961 6380 1 14 . 1 1 65 65 THR CA C 65 60.536 60.536 62.664 -2.128 25961 6381 1 14 . 1 1 65 65 THR CB C 65 69.037 69.037 69.578 -0.541 25961 6382 1 14 . 1 1 65 65 THR H H 65 9.053 9.053 8.398 0.655 25961 6383 1 14 . 1 1 66 66 GLU N N 66 115.766 115.766 118.883 -3.117 25961 6384 1 14 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.447 0.116 25961 6385 1 14 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.860 -2.473 25961 6386 1 14 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.692 0.873 25961 6387 1 14 . 1 1 66 66 GLU H H 66 7.345 7.345 7.952 -0.607 25961 6388 1 14 . 1 1 67 67 LEU N N 67 124.674 124.674 117.431 7.243 25961 6389 1 14 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.321 -0.387 25961 6390 1 14 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.624 -0.089 25961 6391 1 14 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.912 0.141 25961 6392 1 14 . 1 1 67 67 LEU H H 67 8.906 8.906 8.441 0.465 25961 6393 1 14 . 1 1 68 68 ALA N N 68 120.493 120.493 121.604 -1.111 25961 6394 1 14 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.123 0.013 25961 6395 1 14 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.001 -0.327 25961 6396 1 14 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.665 -1.144 25961 6397 1 14 . 1 1 68 68 ALA H H 68 9.022 9.022 8.459 0.563 25961 6398 1 14 . 1 1 69 69 ALA N N 69 119.695 119.695 121.585 -1.890 25961 6399 1 14 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.226 -0.064 25961 6400 1 14 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.889 -0.869 25961 6401 1 14 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.381 -0.718 25961 6402 1 14 . 1 1 69 69 ALA H H 69 7.258 7.258 7.806 -0.548 25961 6403 1 14 . 1 1 70 70 PHE N N 70 119.274 119.274 118.106 1.168 25961 6404 1 14 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.265 -0.306 25961 6405 1 14 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.568 0.392 25961 6406 1 14 . 1 1 70 70 PHE CB C 70 38.432 38.432 40.223 -1.791 25961 6407 1 14 . 1 1 70 70 PHE H H 70 7.769 7.769 7.793 -0.024 25961 6408 1 14 . 1 1 71 71 ASN N N 71 117.363 117.363 119.109 -1.746 25961 6409 1 14 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.297 -0.195 25961 6410 1 14 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.124 -1.427 25961 6411 1 14 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.534 -2.461 25961 6412 1 14 . 1 1 71 71 ASN H H 71 8.801 8.801 8.463 0.338 25961 6413 1 14 . 1 1 72 72 THR N N 72 119.746 119.746 115.866 3.880 25961 6414 1 14 . 1 1 72 72 THR HA H 72 4.220 4.220 4.134 0.086 25961 6415 1 14 . 1 1 72 72 THR CA C 72 65.927 65.927 65.813 0.114 25961 6416 1 14 . 1 1 72 72 THR CB C 72 67.600 67.600 68.941 -1.341 25961 6417 1 14 . 1 1 72 72 THR H H 72 8.109 8.109 8.235 -0.126 25961 6418 1 14 . 1 1 73 73 VAL N N 73 123.156 123.156 119.248 3.908 25961 6419 1 14 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.927 -0.472 25961 6420 1 14 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.126 0.030 25961 6421 1 14 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.447 -1.111 25961 6422 1 14 . 1 1 73 73 VAL H H 73 7.744 7.744 7.458 0.286 25961 6423 1 14 . 1 1 74 74 VAL N N 74 120.420 120.420 120.392 0.028 25961 6424 1 14 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.674 -0.308 25961 6425 1 14 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.495 1.103 25961 6426 1 14 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.933 -0.448 25961 6427 1 14 . 1 1 74 74 VAL H H 74 8.154 8.154 7.649 0.505 25961 6428 1 14 . 1 1 75 75 ALA N N 75 120.206 120.206 122.494 -2.288 25961 6429 1 14 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.001 -0.006 25961 6430 1 14 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.191 -1.192 25961 6431 1 14 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.363 -1.399 25961 6432 1 14 . 1 1 75 75 ALA H H 75 7.788 7.788 7.794 -0.006 25961 6433 1 14 . 1 1 76 76 ARG N N 76 114.701 114.701 116.152 -1.451 25961 6434 1 14 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.252 -0.167 25961 6435 1 14 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.339 -0.357 25961 6436 1 14 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.160 0.524 25961 6437 1 14 . 1 1 76 76 ARG H H 76 7.705 7.705 7.624 0.081 25961 6438 1 14 . 1 1 77 77 HIS N N 77 112.695 112.695 118.226 -5.531 25961 6439 1 14 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.523 0.287 25961 6440 1 14 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.310 -1.149 25961 6441 1 14 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.329 0.704 25961 6442 1 14 . 1 1 77 77 HIS H H 77 8.123 8.123 7.649 0.473 25961 6443 1 14 . 1 1 78 78 VAL N N 78 119.219 119.219 121.334 -2.115 25961 6444 1 14 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.750 0.143 25961 6445 1 14 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.460 -0.895 25961 6446 1 14 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.716 -0.588 25961 6447 1 14 . 1 1 78 78 VAL H H 78 8.034 8.034 8.003 0.031 25961 6448 1 14 . 1 1 79 79 ARG N N 79 126.908 126.908 126.022 0.886 25961 6449 1 14 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.533 -1.172 25961 6450 1 14 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.456 -3.265 25961 6451 1 14 . 1 1 79 79 ARG H H 79 7.023 7.023 8.085 -1.062 25961 6452 1 14 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.468 -0.443 25961 6453 1 14 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.558 0.012 25961 6454 1 14 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.359 -0.147 25961 6455 1 14 . 1 1 81 81 SER N N 81 115.039 115.039 117.043 -2.004 25961 6456 1 14 . 1 1 81 81 SER HA H 81 4.047 4.047 3.988 0.059 25961 6457 1 14 . 1 1 81 81 SER CA C 81 60.713 60.713 59.072 1.641 25961 6458 1 14 . 1 1 81 81 SER H H 81 8.210 8.210 8.452 -0.242 25961 6459 1 14 . 1 1 82 82 ALA N N 82 123.546 123.546 123.696 -0.150 25961 6460 1 14 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.418 -0.072 25961 6461 1 14 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.271 0.235 25961 6462 1 14 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.298 -0.203 25961 6463 1 14 . 1 1 82 82 ALA H H 82 7.770 7.770 7.303 0.467 25961 6464 1 14 . 1 1 83 83 SER N N 83 116.753 116.753 119.740 -2.987 25961 6465 1 14 . 1 1 83 83 SER HA H 83 5.129 5.129 4.810 0.319 25961 6466 1 14 . 1 1 83 83 SER CA C 83 56.582 56.582 57.812 -1.230 25961 6467 1 14 . 1 1 83 83 SER CB C 83 62.554 62.554 64.101 -1.547 25961 6468 1 14 . 1 1 83 83 SER H H 83 8.524 8.524 8.440 0.084 25961 6469 1 14 . 1 1 84 84 ILE N N 84 126.985 126.985 124.415 2.570 25961 6470 1 14 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.508 -2.721 25961 6471 1 14 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.138 -2.714 25961 6472 1 14 . 1 1 84 84 ILE H H 84 9.599 9.599 8.527 1.072 25961 6473 1 14 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.473 0.472 25961 6474 1 14 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.522 -0.968 25961 6475 1 14 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.428 -0.001 25961 6476 1 14 . 1 1 86 86 VAL N N 86 123.811 123.811 125.165 -1.354 25961 6477 1 14 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.291 0.558 25961 6478 1 14 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.915 -1.142 25961 6479 1 14 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.153 -0.509 25961 6480 1 14 . 1 1 86 86 VAL H H 86 9.033 9.033 7.902 1.131 25961 6481 1 14 . 1 1 87 87 VAL N N 87 127.839 127.839 123.116 4.723 25961 6482 1 14 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.332 0.640 25961 6483 1 14 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.504 -1.811 25961 6484 1 14 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.447 -0.029 25961 6485 1 14 . 1 1 87 87 VAL H H 87 9.132 9.132 8.541 0.591 25961 6486 1 14 . 1 1 88 88 PHE N N 88 127.301 127.301 127.766 -0.465 25961 6487 1 14 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.217 0.401 25961 6488 1 14 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.117 -1.907 25961 6489 1 14 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.550 -2.547 25961 6490 1 14 . 1 1 88 88 PHE H H 88 9.248 9.248 8.268 0.980 25961 6491 1 14 . 1 1 89 89 SER N N 89 113.734 113.734 114.687 -0.953 25961 6492 1 14 . 1 1 89 89 SER HA H 89 5.336 5.336 5.187 0.149 25961 6493 1 14 . 1 1 89 89 SER CA C 89 54.452 54.452 56.774 -2.322 25961 6494 1 14 . 1 1 89 89 SER CB C 89 64.474 64.474 65.877 -1.403 25961 6495 1 14 . 1 1 89 89 SER H H 89 9.689 9.689 8.072 1.617 25961 6496 1 14 . 1 1 90 90 ARG N N 90 128.114 128.114 123.968 4.146 25961 6497 1 14 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.596 0.151 25961 6498 1 14 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.592 -1.470 25961 6499 1 14 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.672 0.664 25961 6500 1 14 . 1 1 90 90 ARG H H 90 8.561 8.561 8.124 0.437 25961 6501 1 14 . 1 1 91 91 ASP N N 91 129.790 129.790 123.803 5.987 25961 6502 1 14 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.313 -0.044 25961 6503 1 14 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.683 -1.182 25961 6504 1 14 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.382 -0.301 25961 6505 1 14 . 1 1 91 91 ASP H H 91 9.461 9.461 8.946 0.515 25961 6506 1 14 . 1 1 92 92 GLY N N 92 102.404 102.404 103.041 -0.637 25961 6507 1 14 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.834 -0.529 25961 6508 1 14 . 1 1 92 92 GLY H H 92 8.391 8.391 8.210 0.181 25961 6509 1 14 . 1 1 93 93 VAL N N 93 123.090 123.090 122.019 1.071 25961 6510 1 14 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.883 0.119 25961 6511 1 14 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.454 -2.188 25961 6512 1 14 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.598 -0.780 25961 6513 1 14 . 1 1 93 93 VAL H H 93 7.682 7.682 7.368 0.314 25961 6514 1 14 . 1 1 94 94 VAL N N 94 128.414 128.414 126.332 2.082 25961 6515 1 14 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.810 0.324 25961 6516 1 14 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.259 1.081 25961 6517 1 14 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.086 -1.970 25961 6518 1 14 . 1 1 94 94 VAL H H 94 8.400 8.400 8.278 0.122 25961 6519 1 14 . 1 1 95 95 MET N N 95 129.196 129.196 128.669 0.527 25961 6520 1 14 . 1 1 95 95 MET HA H 95 4.352 4.352 4.906 -0.554 25961 6521 1 14 . 1 1 95 95 MET CA C 95 53.674 53.674 54.392 -0.718 25961 6522 1 14 . 1 1 95 95 MET CB C 95 36.104 36.104 37.177 -1.073 25961 6523 1 14 . 1 1 95 95 MET H H 95 9.100 9.100 8.451 0.649 25961 6524 1 14 . 1 1 96 96 SER N N 96 111.540 111.540 116.557 -5.017 25961 6525 1 14 . 1 1 96 96 SER HA H 96 5.469 5.469 4.998 0.471 25961 6526 1 14 . 1 1 96 96 SER CA C 96 55.830 55.830 57.483 -1.653 25961 6527 1 14 . 1 1 96 96 SER CB C 96 65.471 65.471 65.506 -0.035 25961 6528 1 14 . 1 1 96 96 SER H H 96 8.004 8.004 8.317 -0.313 25961 6529 1 14 . 1 1 97 97 ALA N N 97 124.079 124.079 128.032 -3.953 25961 6530 1 14 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.650 0.138 25961 6531 1 14 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.875 -1.476 25961 6532 1 14 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.956 0.588 25961 6533 1 14 . 1 1 97 97 ALA H H 97 9.145 9.145 8.137 1.008 25961 6534 1 14 . 1 1 98 98 THR N N 98 117.342 117.342 117.871 -0.529 25961 6535 1 14 . 1 1 98 98 THR HA H 98 4.823 4.823 4.295 0.528 25961 6536 1 14 . 1 1 98 98 THR CA C 98 61.053 61.053 62.873 -1.820 25961 6537 1 14 . 1 1 98 98 THR CB C 98 69.913 69.913 68.971 0.942 25961 6538 1 14 . 1 1 98 98 THR H H 98 8.754 8.754 8.333 0.421 25961 6539 1 14 . 1 1 99 99 ILE N N 99 125.689 125.689 128.850 -3.161 25961 6540 1 14 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.305 -0.194 25961 6541 1 14 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.602 -1.233 25961 6542 1 14 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.441 -0.750 25961 6543 1 14 . 1 1 99 99 ILE H H 99 8.868 8.868 8.077 0.791 25961 6544 1 14 . 1 1 100 100 VAL N N 100 129.871 129.871 127.928 1.943 25961 6545 1 14 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.430 0.236 25961 6546 1 14 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.136 -0.269 25961 6547 1 14 . 1 1 100 100 VAL CB C 100 29.610 29.610 33.374 -3.764 25961 6548 1 14 . 1 1 100 100 VAL H H 100 8.818 8.818 8.574 0.244 25961 6549 1 14 . 1 1 101 101 VAL N N 101 128.299 128.299 130.212 -1.913 25961 6550 1 14 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.338 -0.969 25961 6551 1 14 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.244 3.083 25961 6552 1 14 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.315 -1.341 25961 6553 1 14 . 1 1 101 101 VAL H H 101 8.795 8.795 7.973 0.822 25961 6554 1 14 . 1 1 102 102 GLY N N 102 115.466 115.466 114.125 1.341 25961 6555 1 14 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.138 -0.458 25961 6556 1 14 . 1 1 102 102 GLY H H 102 8.393 8.393 8.478 -0.085 25961 6557 1 14 . 1 1 103 103 GLU N N 103 119.459 119.459 127.082 -7.623 25961 6558 1 14 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.206 0.749 25961 6559 1 14 . 1 1 103 103 GLU CA C 103 54.746 54.746 58.740 -3.994 25961 6560 1 14 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.124 2.077 25961 6561 1 14 . 1 1 103 103 GLU H H 103 8.386 8.386 8.121 0.265 25961 6562 1 14 . 1 1 104 104 LEU N N 104 123.881 123.881 119.543 4.338 25961 6563 1 14 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.557 0.143 25961 6564 1 14 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.243 -1.676 25961 6565 1 14 . 1 1 104 104 LEU CB C 104 44.058 44.058 39.843 4.215 25961 6566 1 14 . 1 1 104 104 LEU H H 104 8.735 8.735 7.856 0.879 25961 6567 1 15 . 1 1 2 2 LEU N N 2 122.611 122.611 118.143 4.468 25961 6568 1 15 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.723 -0.331 25961 6569 1 15 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.368 -0.036 25961 6570 1 15 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.585 -4.268 25961 6571 1 15 . 1 1 2 2 LEU H H 2 8.535 8.535 8.342 0.193 25961 6572 1 15 . 1 1 3 3 THR N N 3 112.475 112.475 113.531 -1.056 25961 6573 1 15 . 1 1 3 3 THR HA H 3 4.777 4.777 4.642 0.135 25961 6574 1 15 . 1 1 3 3 THR CA C 3 59.259 59.259 60.520 -1.262 25961 6575 1 15 . 1 1 3 3 THR CB C 3 70.185 70.185 71.109 -0.924 25961 6576 1 15 . 1 1 3 3 THR H H 3 7.903 7.903 8.303 -0.400 25961 6577 1 15 . 1 1 4 4 ARG N N 4 120.183 120.183 122.632 -2.449 25961 6578 1 15 . 1 1 4 4 ARG H H 4 8.809 8.809 8.505 0.304 25961 6579 1 15 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.327 0.045 25961 6580 1 15 . 1 1 5 5 PRO CA C 5 65.017 65.017 64.550 0.467 25961 6581 1 15 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.262 -0.674 25961 6582 1 15 . 1 1 6 6 TYR N N 6 120.727 120.727 119.365 1.362 25961 6583 1 15 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.454 0.180 25961 6584 1 15 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.596 -1.520 25961 6585 1 15 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.374 1.680 25961 6586 1 15 . 1 1 6 6 TYR H H 6 7.530 7.530 7.801 -0.271 25961 6587 1 15 . 1 1 7 7 LEU N N 7 126.575 126.575 122.326 4.249 25961 6588 1 15 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.325 0.082 25961 6589 1 15 . 1 1 7 7 LEU H H 7 8.500 8.500 8.224 0.276 25961 6590 1 15 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.477 1.230 25961 6591 1 15 . 1 1 9 9 PHE N N 9 114.612 114.612 115.850 -1.238 25961 6592 1 15 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.626 0.732 25961 6593 1 15 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.989 -1.727 25961 6594 1 15 . 1 1 9 9 PHE CB C 9 39.454 39.454 41.146 -1.692 25961 6595 1 15 . 1 1 9 9 PHE H H 9 7.102 7.102 7.319 -0.217 25961 6596 1 15 . 1 1 10 10 ARG N N 10 117.800 117.800 120.052 -2.252 25961 6597 1 15 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.698 -0.027 25961 6598 1 15 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.937 -1.538 25961 6599 1 15 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.946 0.869 25961 6600 1 15 . 1 1 10 10 ARG H H 10 8.206 8.206 8.497 -0.291 25961 6601 1 15 . 1 1 11 11 VAL N N 11 117.216 117.216 116.679 0.537 25961 6602 1 15 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.294 -0.127 25961 6603 1 15 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.544 -1.354 25961 6604 1 15 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.476 -1.601 25961 6605 1 15 . 1 1 11 11 VAL H H 11 8.601 8.601 8.257 0.344 25961 6606 1 15 . 1 1 12 12 ALA N N 12 123.025 123.025 127.698 -4.673 25961 6607 1 15 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.795 -0.215 25961 6608 1 15 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.759 -1.216 25961 6609 1 15 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.907 0.875 25961 6610 1 15 . 1 1 12 12 ALA H H 12 8.861 8.861 8.100 0.761 25961 6611 1 15 . 1 1 13 13 VAL N N 13 121.395 121.395 123.217 -1.822 25961 6612 1 15 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.001 0.550 25961 6613 1 15 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.675 -1.392 25961 6614 1 15 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.144 -0.450 25961 6615 1 15 . 1 1 13 13 VAL H H 13 8.585 8.585 8.731 -0.146 25961 6616 1 15 . 1 1 14 14 GLY N N 14 117.546 117.546 116.605 0.941 25961 6617 1 15 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.537 -2.153 25961 6618 1 15 . 1 1 14 14 GLY H H 14 8.789 8.789 8.045 0.744 25961 6619 1 15 . 1 1 15 15 ARG N N 15 120.075 120.075 121.331 -1.256 25961 6620 1 15 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.696 0.414 25961 6621 1 15 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.376 -1.483 25961 6622 1 15 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.687 0.069 25961 6623 1 15 . 1 1 15 15 ARG H H 15 8.299 8.299 8.341 -0.042 25961 6624 1 15 . 1 1 16 16 ASP N N 16 123.872 123.872 120.492 3.380 25961 6625 1 15 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.742 0.003 25961 6626 1 15 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.855 -1.484 25961 6627 1 15 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.934 -1.182 25961 6628 1 15 . 1 1 16 16 ASP H H 16 8.619 8.619 8.441 0.178 25961 6629 1 15 . 1 1 17 17 SER N N 17 114.309 114.309 114.239 0.070 25961 6630 1 15 . 1 1 17 17 SER HA H 17 4.196 4.196 4.250 -0.054 25961 6631 1 15 . 1 1 17 17 SER CA C 17 59.950 59.950 60.386 -0.436 25961 6632 1 15 . 1 1 17 17 SER CB C 17 61.825 61.825 63.513 -1.688 25961 6633 1 15 . 1 1 17 17 SER H H 17 8.624 8.624 8.347 0.277 25961 6634 1 15 . 1 1 18 18 SER N N 18 117.903 117.903 115.523 2.380 25961 6635 1 15 . 1 1 18 18 SER HA H 18 4.597 4.597 4.415 0.182 25961 6636 1 15 . 1 1 18 18 SER CA C 18 57.732 57.732 59.142 -1.410 25961 6637 1 15 . 1 1 18 18 SER CB C 18 63.470 63.470 64.503 -1.033 25961 6638 1 15 . 1 1 18 18 SER H H 18 8.385 8.385 7.821 0.564 25961 6639 1 15 . 1 1 19 19 GLY N N 19 109.883 109.883 108.830 1.053 25961 6640 1 15 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.912 -0.741 25961 6641 1 15 . 1 1 19 19 GLY H H 19 8.214 8.214 8.316 -0.102 25961 6642 1 15 . 1 1 20 20 CYS N N 20 122.167 122.167 119.445 2.722 25961 6643 1 15 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.637 -0.149 25961 6644 1 15 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.414 -0.378 25961 6645 1 15 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.218 -1.532 25961 6646 1 15 . 1 1 20 20 CYS H H 20 8.286 8.286 8.240 0.046 25961 6647 1 15 . 1 1 21 21 THR N N 21 119.387 119.387 116.344 3.043 25961 6648 1 15 . 1 1 21 21 THR HA H 21 4.764 4.764 3.986 0.778 25961 6649 1 15 . 1 1 21 21 THR CA C 21 61.953 61.953 63.763 -1.810 25961 6650 1 15 . 1 1 21 21 THR CB C 21 68.795 68.795 67.363 1.432 25961 6651 1 15 . 1 1 21 21 THR H H 21 8.626 8.626 8.042 0.584 25961 6652 1 15 . 1 1 22 22 THR N N 22 116.611 116.611 115.529 1.082 25961 6653 1 15 . 1 1 22 22 THR HA H 22 4.513 4.513 4.762 -0.249 25961 6654 1 15 . 1 1 22 22 THR CA C 22 58.918 58.918 60.214 -1.296 25961 6655 1 15 . 1 1 22 22 THR CB C 22 71.128 71.128 70.985 0.143 25961 6656 1 15 . 1 1 22 22 THR H H 22 8.343 8.343 7.747 0.596 25961 6657 1 15 . 1 1 23 23 LEU N N 23 122.893 122.893 124.831 -1.938 25961 6658 1 15 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.035 -0.103 25961 6659 1 15 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.078 -1.591 25961 6660 1 15 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.727 -1.462 25961 6661 1 15 . 1 1 23 23 LEU H H 23 9.157 9.157 8.699 0.458 25961 6662 1 15 . 1 1 24 24 SER N N 24 116.771 116.771 116.357 0.414 25961 6663 1 15 . 1 1 24 24 SER HA H 24 5.173 5.173 4.651 0.522 25961 6664 1 15 . 1 1 24 24 SER CA C 24 55.247 55.247 57.008 -1.762 25961 6665 1 15 . 1 1 24 24 SER CB C 24 64.841 64.841 65.036 -0.195 25961 6666 1 15 . 1 1 24 24 SER H H 24 8.656 8.656 7.958 0.698 25961 6667 1 15 . 1 1 25 25 ILE N N 25 122.747 122.747 123.991 -1.244 25961 6668 1 15 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.355 -0.324 25961 6669 1 15 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.794 0.476 25961 6670 1 15 . 1 1 25 25 ILE CB C 25 34.649 34.649 39.814 -5.165 25961 6671 1 15 . 1 1 25 25 ILE H H 25 9.023 9.023 8.471 0.552 25961 6672 1 15 . 1 1 26 26 GLN N N 26 129.779 129.779 127.482 2.297 25961 6673 1 15 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.457 -0.028 25961 6674 1 15 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.194 -2.607 25961 6675 1 15 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.608 -0.332 25961 6676 1 15 . 1 1 26 26 GLN H H 26 9.093 9.093 8.522 0.571 25961 6677 1 15 . 1 1 27 27 GLU N N 27 118.722 118.722 117.371 1.351 25961 6678 1 15 . 1 1 27 27 GLU CA C 27 54.964 54.964 53.945 1.019 25961 6679 1 15 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.569 0.453 25961 6680 1 15 . 1 1 27 27 GLU H H 27 7.479 7.479 7.979 -0.500 25961 6681 1 15 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.389 0.054 25961 6682 1 15 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.533 -0.378 25961 6683 1 15 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.757 0.923 25961 6684 1 15 . 1 1 29 29 THR N N 29 124.459 124.459 118.416 6.043 25961 6685 1 15 . 1 1 29 29 THR HA H 29 4.183 4.183 4.670 -0.487 25961 6686 1 15 . 1 1 29 29 THR CA C 29 62.474 62.474 61.711 0.763 25961 6687 1 15 . 1 1 29 29 THR CB C 29 68.811 68.811 69.090 -0.279 25961 6688 1 15 . 1 1 29 29 THR H H 29 8.009 8.009 8.379 -0.370 25961 6689 1 15 . 1 1 30 30 GLN N N 30 130.053 130.053 120.070 9.983 25961 6690 1 15 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.473 -0.951 25961 6691 1 15 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.710 2.176 25961 6692 1 15 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.828 -1.523 25961 6693 1 15 . 1 1 30 30 GLN H H 30 9.321 9.321 8.147 1.174 25961 6694 1 15 . 1 1 31 31 THR N N 31 111.234 111.234 109.226 2.008 25961 6695 1 15 . 1 1 31 31 THR HA H 31 5.509 5.509 4.620 0.889 25961 6696 1 15 . 1 1 31 31 THR CA C 31 58.798 58.798 61.179 -2.381 25961 6697 1 15 . 1 1 31 31 THR CB C 31 71.374 71.374 68.983 2.391 25961 6698 1 15 . 1 1 31 31 THR H H 31 7.630 7.630 7.899 -0.269 25961 6699 1 15 . 1 1 32 32 TYR N N 32 121.998 121.998 120.207 1.791 25961 6700 1 15 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.820 -0.017 25961 6701 1 15 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.437 -2.638 25961 6702 1 15 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.407 -2.689 25961 6703 1 15 . 1 1 32 32 TYR H H 32 9.359 9.359 7.472 1.887 25961 6704 1 15 . 1 1 33 33 THR N N 33 114.039 114.039 114.710 -0.671 25961 6705 1 15 . 1 1 33 33 THR HA H 33 4.390 4.390 4.600 -0.210 25961 6706 1 15 . 1 1 33 33 THR CA C 33 59.896 59.896 61.992 -2.096 25961 6707 1 15 . 1 1 33 33 THR CB C 33 69.135 69.135 71.518 -2.383 25961 6708 1 15 . 1 1 33 33 THR H H 33 7.985 7.985 8.396 -0.411 25961 6709 1 15 . 1 1 34 34 GLY N N 34 113.445 113.445 110.938 2.507 25961 6710 1 15 . 1 1 34 34 GLY CA C 34 44.072 44.072 46.056 -1.984 25961 6711 1 15 . 1 1 34 34 GLY H H 34 8.698 8.698 8.784 -0.086 25961 6712 1 15 . 1 1 35 35 SER N N 35 113.837 113.837 116.866 -3.029 25961 6713 1 15 . 1 1 35 35 SER HA H 35 4.264 4.264 4.641 -0.377 25961 6714 1 15 . 1 1 35 35 SER CA C 35 57.651 57.651 57.759 -0.108 25961 6715 1 15 . 1 1 35 35 SER CB C 35 63.056 63.056 64.230 -1.174 25961 6716 1 15 . 1 1 35 35 SER H H 35 8.039 8.039 8.072 -0.034 25961 6717 1 15 . 1 1 36 36 ASN N N 36 119.749 119.749 123.005 -3.256 25961 6718 1 15 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.482 0.102 25961 6719 1 15 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.036 -1.255 25961 6720 1 15 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.237 -1.051 25961 6721 1 15 . 1 1 36 36 ASN H H 36 8.767 8.767 9.100 -0.333 25961 6722 1 15 . 1 1 37 37 GLY N N 37 110.628 110.628 103.270 7.358 25961 6723 1 15 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.361 -0.777 25961 6724 1 15 . 1 1 37 37 GLY H H 37 8.496 8.496 7.859 0.637 25961 6725 1 15 . 1 1 38 38 GLY N N 38 108.654 108.654 109.322 -0.668 25961 6726 1 15 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.208 -1.108 25961 6727 1 15 . 1 1 38 38 GLY H H 38 7.955 7.955 8.255 -0.300 25961 6728 1 15 . 1 1 39 39 ALA N N 39 123.326 123.326 124.926 -1.600 25961 6729 1 15 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.325 -0.114 25961 6730 1 15 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.748 -0.910 25961 6731 1 15 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.424 -1.695 25961 6732 1 15 . 1 1 39 39 ALA H H 39 8.028 8.028 7.218 0.810 25961 6733 1 15 . 1 1 40 40 ASP N N 40 119.573 119.573 119.968 -0.395 25961 6734 1 15 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.766 -0.379 25961 6735 1 15 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.925 0.069 25961 6736 1 15 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.914 -1.287 25961 6737 1 15 . 1 1 40 40 ASP H H 40 8.261 8.261 8.450 -0.189 25961 6738 1 15 . 1 1 41 41 LEU N N 41 123.899 123.899 122.894 1.005 25961 6739 1 15 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.386 0.056 25961 6740 1 15 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.729 -2.508 25961 6741 1 15 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.548 -2.539 25961 6742 1 15 . 1 1 41 41 LEU H H 41 8.663 8.663 8.046 0.617 25961 6743 1 15 . 1 1 42 42 MET N N 42 119.684 119.684 118.507 1.177 25961 6744 1 15 . 1 1 42 42 MET HA H 42 4.730 4.730 4.698 0.032 25961 6745 1 15 . 1 1 42 42 MET CA C 42 54.695 54.695 54.777 -0.082 25961 6746 1 15 . 1 1 42 42 MET CB C 42 32.194 32.194 33.188 -0.994 25961 6747 1 15 . 1 1 42 42 MET H H 42 8.553 8.553 8.132 0.421 25961 6748 1 15 . 1 1 43 43 GLY N N 43 113.052 113.052 113.169 -0.117 25961 6749 1 15 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.305 -2.927 25961 6750 1 15 . 1 1 43 43 GLY H H 43 8.618 8.618 8.619 -0.001 25961 6751 1 15 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.375 0.345 25961 6752 1 15 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.674 -3.443 25961 6753 1 15 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.477 0.476 25961 6754 1 15 . 1 1 45 45 ALA N N 45 120.693 120.693 122.092 -1.399 25961 6755 1 15 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.123 -0.139 25961 6756 1 15 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.902 -1.098 25961 6757 1 15 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.224 -0.257 25961 6758 1 15 . 1 1 45 45 ALA H H 45 7.524 7.524 8.287 -0.763 25961 6759 1 15 . 1 1 46 46 PHE N N 46 122.306 122.306 117.308 4.998 25961 6760 1 15 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.257 -0.295 25961 6761 1 15 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.444 0.882 25961 6762 1 15 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.233 -0.613 25961 6763 1 15 . 1 1 46 46 PHE H H 46 8.603 8.603 7.986 0.617 25961 6764 1 15 . 1 1 47 47 ALA N N 47 123.253 123.253 121.464 1.789 25961 6765 1 15 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.083 0.005 25961 6766 1 15 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.482 -0.531 25961 6767 1 15 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.072 -0.425 25961 6768 1 15 . 1 1 47 47 ALA H H 47 9.199 9.199 7.736 1.463 25961 6769 1 15 . 1 1 48 48 ALA N N 48 117.571 117.571 119.055 -1.484 25961 6770 1 15 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.245 0.058 25961 6771 1 15 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.995 -0.308 25961 6772 1 15 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.140 -1.368 25961 6773 1 15 . 1 1 48 48 ALA H H 48 7.262 7.262 7.520 -0.258 25961 6774 1 15 . 1 1 49 49 GLY N N 49 103.229 103.229 105.947 -2.718 25961 6775 1 15 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.421 -0.802 25961 6776 1 15 . 1 1 49 49 GLY H H 49 7.461 7.461 7.454 0.007 25961 6777 1 15 . 1 1 50 50 LEU N N 50 120.470 120.470 121.930 -1.460 25961 6778 1 15 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.053 -0.535 25961 6779 1 15 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.737 -1.325 25961 6780 1 15 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.107 -0.152 25961 6781 1 15 . 1 1 50 50 LEU H H 50 7.224 7.224 7.531 -0.307 25961 6782 1 15 . 1 1 51 51 ARG N N 51 119.645 119.645 124.207 -4.562 25961 6783 1 15 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.190 -1.698 25961 6784 1 15 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.234 -0.418 25961 6785 1 15 . 1 1 51 51 ARG H H 51 8.678 8.678 8.167 0.511 25961 6786 1 15 . 1 1 52 52 VAL N N 52 119.995 119.995 119.727 0.268 25961 6787 1 15 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.737 -0.514 25961 6788 1 15 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.525 0.693 25961 6789 1 15 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.480 -1.331 25961 6790 1 15 . 1 1 52 52 VAL H H 52 8.482 8.482 8.527 -0.045 25961 6791 1 15 . 1 1 53 53 GLY N N 53 117.052 117.052 115.269 1.783 25961 6792 1 15 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.778 -1.353 25961 6793 1 15 . 1 1 53 53 GLY H H 53 9.122 9.122 8.507 0.615 25961 6794 1 15 . 1 1 54 54 ASP N N 54 124.203 124.203 123.739 0.464 25961 6795 1 15 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.026 -0.193 25961 6796 1 15 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.486 1.248 25961 6797 1 15 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.182 -0.903 25961 6798 1 15 . 1 1 54 54 ASP H H 54 7.848 7.848 7.730 0.118 25961 6799 1 15 . 1 1 55 55 GLN N N 55 121.703 121.703 123.430 -1.727 25961 6800 1 15 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.348 0.519 25961 6801 1 15 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.812 -2.287 25961 6802 1 15 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.157 -0.124 25961 6803 1 15 . 1 1 55 55 GLN H H 55 9.158 9.158 8.136 1.022 25961 6804 1 15 . 1 1 56 56 LEU N N 56 124.733 124.733 126.439 -1.706 25961 6805 1 15 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.313 -0.126 25961 6806 1 15 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.787 0.408 25961 6807 1 15 . 1 1 56 56 LEU CB C 56 42.013 42.013 40.357 1.656 25961 6808 1 15 . 1 1 56 56 LEU H H 56 8.770 8.770 8.759 0.011 25961 6809 1 15 . 1 1 57 57 VAL N N 57 123.383 123.383 124.549 -1.166 25961 6810 1 15 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.275 0.033 25961 6811 1 15 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.131 1.012 25961 6812 1 15 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.039 -0.404 25961 6813 1 15 . 1 1 57 57 VAL H H 57 8.889 8.889 7.978 0.911 25961 6814 1 15 . 1 1 58 58 ARG N N 58 118.094 118.094 117.855 0.239 25961 6815 1 15 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.864 1.474 25961 6816 1 15 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.147 -2.935 25961 6817 1 15 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.378 6.235 25961 6818 1 15 . 1 1 58 58 ARG H H 58 8.531 8.531 7.704 0.827 25961 6819 1 15 . 1 1 59 59 PHE N N 59 123.332 123.332 116.930 6.402 25961 6820 1 15 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.629 0.306 25961 6821 1 15 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.842 1.014 25961 6822 1 15 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.299 0.672 25961 6823 1 15 . 1 1 59 59 PHE H H 59 9.295 9.295 7.647 1.648 25961 6824 1 15 . 1 1 60 60 ALA N N 60 127.537 127.537 125.614 1.923 25961 6825 1 15 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.267 -0.680 25961 6826 1 15 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.841 -0.467 25961 6827 1 15 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.881 -2.408 25961 6828 1 15 . 1 1 60 60 ALA H H 60 8.356 8.356 8.821 -0.465 25961 6829 1 15 . 1 1 61 61 GLY N N 61 103.058 103.058 111.293 -8.235 25961 6830 1 15 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.879 -1.092 25961 6831 1 15 . 1 1 61 61 GLY H H 61 9.178 9.178 7.951 1.227 25961 6832 1 15 . 1 1 62 62 TYR N N 62 120.218 120.218 117.384 2.834 25961 6833 1 15 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.084 0.546 25961 6834 1 15 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.311 -1.734 25961 6835 1 15 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.584 3.308 25961 6836 1 15 . 1 1 62 62 TYR H H 62 7.888 7.888 7.638 0.250 25961 6837 1 15 . 1 1 63 63 THR N N 63 120.933 120.933 112.462 8.471 25961 6838 1 15 . 1 1 63 63 THR HA H 63 4.479 4.479 5.131 -0.652 25961 6839 1 15 . 1 1 63 63 THR CA C 63 62.851 62.851 60.613 2.238 25961 6840 1 15 . 1 1 63 63 THR CB C 63 67.848 67.848 71.897 -4.050 25961 6841 1 15 . 1 1 63 63 THR H H 63 9.108 9.108 7.695 1.413 25961 6842 1 15 . 1 1 64 64 VAL N N 64 121.039 121.039 123.863 -2.824 25961 6843 1 15 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.691 -0.092 25961 6844 1 15 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.228 -2.361 25961 6845 1 15 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.499 -2.495 25961 6846 1 15 . 1 1 64 64 VAL H H 64 7.782 7.782 8.142 -0.360 25961 6847 1 15 . 1 1 65 65 THR N N 65 114.373 114.373 116.250 -1.877 25961 6848 1 15 . 1 1 65 65 THR HA H 65 4.452 4.452 4.471 -0.019 25961 6849 1 15 . 1 1 65 65 THR CA C 65 60.536 60.536 63.193 -2.657 25961 6850 1 15 . 1 1 65 65 THR CB C 65 69.037 69.037 69.700 -0.663 25961 6851 1 15 . 1 1 65 65 THR H H 65 9.053 9.053 8.562 0.491 25961 6852 1 15 . 1 1 66 66 GLU N N 66 115.766 115.766 117.867 -2.101 25961 6853 1 15 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.475 0.088 25961 6854 1 15 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.659 -2.272 25961 6855 1 15 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.462 1.103 25961 6856 1 15 . 1 1 66 66 GLU H H 66 7.345 7.345 7.822 -0.477 25961 6857 1 15 . 1 1 67 67 LEU N N 67 124.674 124.674 117.708 6.966 25961 6858 1 15 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.305 -0.371 25961 6859 1 15 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.977 -0.442 25961 6860 1 15 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.088 -0.035 25961 6861 1 15 . 1 1 67 67 LEU H H 67 8.906 8.906 8.674 0.232 25961 6862 1 15 . 1 1 68 68 ALA N N 68 120.493 120.493 121.202 -0.709 25961 6863 1 15 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.026 0.110 25961 6864 1 15 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.880 -0.206 25961 6865 1 15 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.842 -1.321 25961 6866 1 15 . 1 1 68 68 ALA H H 68 9.022 9.022 8.154 0.868 25961 6867 1 15 . 1 1 69 69 ALA N N 69 119.695 119.695 121.250 -1.555 25961 6868 1 15 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.209 -0.047 25961 6869 1 15 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.759 -0.739 25961 6870 1 15 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.719 -1.056 25961 6871 1 15 . 1 1 69 69 ALA H H 69 7.258 7.258 7.699 -0.442 25961 6872 1 15 . 1 1 70 70 PHE N N 70 119.274 119.274 118.977 0.297 25961 6873 1 15 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.188 -0.229 25961 6874 1 15 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.208 -0.248 25961 6875 1 15 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.876 -1.444 25961 6876 1 15 . 1 1 70 70 PHE H H 70 7.769 7.769 7.875 -0.106 25961 6877 1 15 . 1 1 71 71 ASN N N 71 117.363 117.363 118.276 -0.913 25961 6878 1 15 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.551 -0.449 25961 6879 1 15 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.636 -1.940 25961 6880 1 15 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.477 -2.404 25961 6881 1 15 . 1 1 71 71 ASN H H 71 8.801 8.801 8.695 0.106 25961 6882 1 15 . 1 1 72 72 THR N N 72 119.746 119.746 115.664 4.082 25961 6883 1 15 . 1 1 72 72 THR HA H 72 4.220 4.220 4.099 0.121 25961 6884 1 15 . 1 1 72 72 THR CA C 72 65.927 65.927 65.931 -0.004 25961 6885 1 15 . 1 1 72 72 THR CB C 72 67.600 67.600 68.494 -0.894 25961 6886 1 15 . 1 1 72 72 THR H H 72 8.109 8.109 7.674 0.435 25961 6887 1 15 . 1 1 73 73 VAL N N 73 123.156 123.156 122.105 1.051 25961 6888 1 15 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.432 0.023 25961 6889 1 15 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.751 -0.595 25961 6890 1 15 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.258 -0.922 25961 6891 1 15 . 1 1 73 73 VAL H H 73 7.744 7.744 7.063 0.681 25961 6892 1 15 . 1 1 74 74 VAL N N 74 120.420 120.420 120.073 0.347 25961 6893 1 15 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.474 -0.108 25961 6894 1 15 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.773 0.825 25961 6895 1 15 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.946 -0.461 25961 6896 1 15 . 1 1 74 74 VAL H H 74 8.154 8.154 8.082 0.071 25961 6897 1 15 . 1 1 75 75 ALA N N 75 120.206 120.206 122.080 -1.874 25961 6898 1 15 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.057 -0.062 25961 6899 1 15 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.836 -0.837 25961 6900 1 15 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.599 -1.635 25961 6901 1 15 . 1 1 75 75 ALA H H 75 7.788 7.788 7.611 0.177 25961 6902 1 15 . 1 1 76 76 ARG N N 76 114.701 114.701 115.374 -0.673 25961 6903 1 15 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.142 -0.057 25961 6904 1 15 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.732 -0.750 25961 6905 1 15 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.318 0.366 25961 6906 1 15 . 1 1 76 76 ARG H H 76 7.705 7.705 7.460 0.245 25961 6907 1 15 . 1 1 77 77 HIS N N 77 112.695 112.695 116.727 -4.032 25961 6908 1 15 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.384 0.426 25961 6909 1 15 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.409 -0.248 25961 6910 1 15 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.527 0.506 25961 6911 1 15 . 1 1 77 77 HIS H H 77 8.123 8.123 7.915 0.208 25961 6912 1 15 . 1 1 78 78 VAL N N 78 119.219 119.219 120.301 -1.082 25961 6913 1 15 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.002 -0.108 25961 6914 1 15 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.070 -0.506 25961 6915 1 15 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.861 -0.734 25961 6916 1 15 . 1 1 78 78 VAL H H 78 8.034 8.034 7.951 0.083 25961 6917 1 15 . 1 1 79 79 ARG N N 79 126.908 126.908 126.328 0.580 25961 6918 1 15 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.788 -1.427 25961 6919 1 15 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.333 -3.142 25961 6920 1 15 . 1 1 79 79 ARG H H 79 7.023 7.023 7.921 -0.898 25961 6921 1 15 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.500 -0.475 25961 6922 1 15 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.561 0.009 25961 6923 1 15 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.194 0.018 25961 6924 1 15 . 1 1 81 81 SER N N 81 115.039 115.039 117.586 -2.547 25961 6925 1 15 . 1 1 81 81 SER HA H 81 4.047 4.047 4.023 0.024 25961 6926 1 15 . 1 1 81 81 SER CA C 81 60.713 60.713 59.048 1.665 25961 6927 1 15 . 1 1 81 81 SER H H 81 8.210 8.210 8.520 -0.310 25961 6928 1 15 . 1 1 82 82 ALA N N 82 123.546 123.546 123.275 0.271 25961 6929 1 15 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.390 -0.044 25961 6930 1 15 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.504 0.002 25961 6931 1 15 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.222 -0.127 25961 6932 1 15 . 1 1 82 82 ALA H H 82 7.770 7.770 7.422 0.348 25961 6933 1 15 . 1 1 83 83 SER N N 83 116.753 116.753 120.764 -4.011 25961 6934 1 15 . 1 1 83 83 SER HA H 83 5.129 5.129 5.049 0.080 25961 6935 1 15 . 1 1 83 83 SER CA C 83 56.582 56.582 57.442 -0.860 25961 6936 1 15 . 1 1 83 83 SER CB C 83 62.554 62.554 63.677 -1.123 25961 6937 1 15 . 1 1 83 83 SER H H 83 8.524 8.524 8.433 0.091 25961 6938 1 15 . 1 1 84 84 ILE N N 84 126.985 126.985 120.828 6.157 25961 6939 1 15 . 1 1 84 84 ILE CA C 84 54.786 54.786 56.932 -2.147 25961 6940 1 15 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.080 0.344 25961 6941 1 15 . 1 1 84 84 ILE H H 84 9.599 9.599 8.029 1.570 25961 6942 1 15 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.529 0.416 25961 6943 1 15 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.780 -1.226 25961 6944 1 15 . 1 1 85 85 PRO CB C 85 31.427 31.427 32.240 -0.814 25961 6945 1 15 . 1 1 86 86 VAL N N 86 123.811 123.811 122.619 1.192 25961 6946 1 15 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.392 0.457 25961 6947 1 15 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.544 -1.771 25961 6948 1 15 . 1 1 86 86 VAL CB C 86 34.644 34.644 36.577 -1.933 25961 6949 1 15 . 1 1 86 86 VAL H H 86 9.033 9.033 7.911 1.122 25961 6950 1 15 . 1 1 87 87 VAL N N 87 127.839 127.839 123.605 4.234 25961 6951 1 15 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.487 0.485 25961 6952 1 15 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.702 -1.009 25961 6953 1 15 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.032 -0.614 25961 6954 1 15 . 1 1 87 87 VAL H H 87 9.132 9.132 8.527 0.605 25961 6955 1 15 . 1 1 88 88 PHE N N 88 127.301 127.301 126.036 1.265 25961 6956 1 15 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.735 -0.117 25961 6957 1 15 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.464 -0.253 25961 6958 1 15 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.610 -1.608 25961 6959 1 15 . 1 1 88 88 PHE H H 88 9.248 9.248 8.170 1.078 25961 6960 1 15 . 1 1 89 89 SER N N 89 113.734 113.734 113.724 0.010 25961 6961 1 15 . 1 1 89 89 SER HA H 89 5.336 5.336 5.046 0.290 25961 6962 1 15 . 1 1 89 89 SER CA C 89 54.452 54.452 56.144 -1.692 25961 6963 1 15 . 1 1 89 89 SER CB C 89 64.474 64.474 66.545 -2.071 25961 6964 1 15 . 1 1 89 89 SER H H 89 9.689 9.689 8.280 1.409 25961 6965 1 15 . 1 1 90 90 ARG N N 90 128.114 128.114 125.066 3.048 25961 6966 1 15 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.532 0.215 25961 6967 1 15 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.266 -1.144 25961 6968 1 15 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.668 1.668 25961 6969 1 15 . 1 1 90 90 ARG H H 90 8.561 8.561 7.865 0.696 25961 6970 1 15 . 1 1 91 91 ASP N N 91 129.790 129.790 119.506 10.284 25961 6971 1 15 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.390 -0.121 25961 6972 1 15 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.053 -0.552 25961 6973 1 15 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.595 -0.514 25961 6974 1 15 . 1 1 91 91 ASP H H 91 9.461 9.461 8.451 1.010 25961 6975 1 15 . 1 1 92 92 GLY N N 92 102.404 102.404 103.361 -0.957 25961 6976 1 15 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.046 -0.741 25961 6977 1 15 . 1 1 92 92 GLY H H 92 8.391 8.391 8.220 0.171 25961 6978 1 15 . 1 1 93 93 VAL N N 93 123.090 123.090 119.168 3.922 25961 6979 1 15 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.092 -0.090 25961 6980 1 15 . 1 1 93 93 VAL CA C 93 61.266 61.266 60.928 0.338 25961 6981 1 15 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.802 -1.984 25961 6982 1 15 . 1 1 93 93 VAL H H 93 7.682 7.682 7.503 0.179 25961 6983 1 15 . 1 1 94 94 VAL N N 94 128.414 128.414 125.331 3.083 25961 6984 1 15 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.820 0.314 25961 6985 1 15 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.441 0.899 25961 6986 1 15 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.184 -2.068 25961 6987 1 15 . 1 1 94 94 VAL H H 94 8.400 8.400 8.169 0.231 25961 6988 1 15 . 1 1 95 95 MET N N 95 129.196 129.196 128.544 0.652 25961 6989 1 15 . 1 1 95 95 MET HA H 95 4.352 4.352 4.773 -0.421 25961 6990 1 15 . 1 1 95 95 MET CA C 95 53.674 53.674 53.891 -0.216 25961 6991 1 15 . 1 1 95 95 MET CB C 95 36.104 36.104 36.883 -0.779 25961 6992 1 15 . 1 1 95 95 MET H H 95 9.100 9.100 8.058 1.042 25961 6993 1 15 . 1 1 96 96 SER N N 96 111.540 111.540 118.134 -6.594 25961 6994 1 15 . 1 1 96 96 SER HA H 96 5.469 5.469 5.140 0.329 25961 6995 1 15 . 1 1 96 96 SER CA C 96 55.830 55.830 57.233 -1.403 25961 6996 1 15 . 1 1 96 96 SER CB C 96 65.471 65.471 65.337 0.134 25961 6997 1 15 . 1 1 96 96 SER H H 96 8.004 8.004 8.309 -0.305 25961 6998 1 15 . 1 1 97 97 ALA N N 97 124.079 124.079 128.598 -4.519 25961 6999 1 15 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.859 -0.071 25961 7000 1 15 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.953 -1.554 25961 7001 1 15 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.173 0.371 25961 7002 1 15 . 1 1 97 97 ALA H H 97 9.145 9.145 8.332 0.813 25961 7003 1 15 . 1 1 98 98 THR N N 98 117.342 117.342 117.648 -0.306 25961 7004 1 15 . 1 1 98 98 THR HA H 98 4.823 4.823 4.300 0.523 25961 7005 1 15 . 1 1 98 98 THR CA C 98 61.053 61.053 62.381 -1.328 25961 7006 1 15 . 1 1 98 98 THR CB C 98 69.913 69.913 69.160 0.753 25961 7007 1 15 . 1 1 98 98 THR H H 98 8.754 8.754 8.387 0.367 25961 7008 1 15 . 1 1 99 99 ILE N N 99 125.689 125.689 127.605 -1.916 25961 7009 1 15 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.415 -0.304 25961 7010 1 15 . 1 1 99 99 ILE CA C 99 59.369 59.369 58.765 0.604 25961 7011 1 15 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.264 0.427 25961 7012 1 15 . 1 1 99 99 ILE H H 99 8.868 8.868 8.091 0.777 25961 7013 1 15 . 1 1 100 100 VAL N N 100 129.871 129.871 127.781 2.090 25961 7014 1 15 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.500 0.166 25961 7015 1 15 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.853 0.014 25961 7016 1 15 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.896 -3.286 25961 7017 1 15 . 1 1 100 100 VAL H H 100 8.818 8.818 8.446 0.372 25961 7018 1 15 . 1 1 101 101 VAL N N 101 128.299 128.299 129.797 -1.498 25961 7019 1 15 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.319 -0.950 25961 7020 1 15 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.314 3.013 25961 7021 1 15 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.571 -2.597 25961 7022 1 15 . 1 1 101 101 VAL H H 101 8.795 8.795 7.788 1.007 25961 7023 1 15 . 1 1 102 102 GLY N N 102 115.466 115.466 112.916 2.550 25961 7024 1 15 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.241 -0.561 25961 7025 1 15 . 1 1 102 102 GLY H H 102 8.393 8.393 8.564 -0.171 25961 7026 1 15 . 1 1 103 103 GLU N N 103 119.459 119.459 124.099 -4.640 25961 7027 1 15 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.192 0.763 25961 7028 1 15 . 1 1 103 103 GLU CA C 103 54.746 54.746 58.489 -3.743 25961 7029 1 15 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.460 1.741 25961 7030 1 15 . 1 1 103 103 GLU H H 103 8.386 8.386 8.350 0.036 25961 7031 1 15 . 1 1 104 104 LEU N N 104 123.881 123.881 112.516 11.365 25961 7032 1 15 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.553 0.147 25961 7033 1 15 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.185 -1.618 25961 7034 1 15 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.493 2.564 25961 7035 1 15 . 1 1 104 104 LEU H H 104 8.735 8.735 7.489 1.246 25961 7036 1 16 . 1 1 2 2 LEU N N 2 122.611 122.611 114.979 7.632 25961 7037 1 16 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.812 -0.420 25961 7038 1 16 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.191 -0.859 25961 7039 1 16 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.144 -2.827 25961 7040 1 16 . 1 1 2 2 LEU H H 2 8.535 8.535 8.120 0.415 25961 7041 1 16 . 1 1 3 3 THR N N 3 112.475 112.475 115.342 -2.867 25961 7042 1 16 . 1 1 3 3 THR HA H 3 4.777 4.777 4.674 0.103 25961 7043 1 16 . 1 1 3 3 THR CA C 3 59.259 59.259 60.284 -1.025 25961 7044 1 16 . 1 1 3 3 THR CB C 3 70.185 70.185 70.205 -0.020 25961 7045 1 16 . 1 1 3 3 THR H H 3 7.903 7.903 8.295 -0.392 25961 7046 1 16 . 1 1 4 4 ARG N N 4 120.183 120.183 122.011 -1.828 25961 7047 1 16 . 1 1 4 4 ARG H H 4 8.809 8.809 8.470 0.339 25961 7048 1 16 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.579 -0.207 25961 7049 1 16 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.037 1.980 25961 7050 1 16 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.296 1.292 25961 7051 1 16 . 1 1 6 6 TYR N N 6 120.727 120.727 124.142 -3.415 25961 7052 1 16 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.641 -0.007 25961 7053 1 16 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.486 -1.409 25961 7054 1 16 . 1 1 6 6 TYR CB C 6 41.054 41.054 40.767 0.287 25961 7055 1 16 . 1 1 6 6 TYR H H 6 7.530 7.530 8.054 -0.524 25961 7056 1 16 . 1 1 7 7 LEU N N 7 126.575 126.575 127.307 -0.732 25961 7057 1 16 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.223 -0.816 25961 7058 1 16 . 1 1 7 7 LEU H H 7 8.500 8.500 8.224 0.276 25961 7059 1 16 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.129 0.578 25961 7060 1 16 . 1 1 9 9 PHE N N 9 114.612 114.612 115.610 -0.998 25961 7061 1 16 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.988 0.370 25961 7062 1 16 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.509 -0.247 25961 7063 1 16 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.767 -1.313 25961 7064 1 16 . 1 1 9 9 PHE H H 9 7.102 7.102 7.539 -0.437 25961 7065 1 16 . 1 1 10 10 ARG N N 10 117.800 117.800 120.170 -2.370 25961 7066 1 16 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.646 0.025 25961 7067 1 16 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.807 -1.408 25961 7068 1 16 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.755 1.060 25961 7069 1 16 . 1 1 10 10 ARG H H 10 8.206 8.206 8.497 -0.291 25961 7070 1 16 . 1 1 11 11 VAL N N 11 117.216 117.216 117.178 0.038 25961 7071 1 16 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.017 0.150 25961 7072 1 16 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.615 -1.425 25961 7073 1 16 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.368 -0.493 25961 7074 1 16 . 1 1 11 11 VAL H H 11 8.601 8.601 8.229 0.372 25961 7075 1 16 . 1 1 12 12 ALA N N 12 123.025 123.025 130.074 -7.049 25961 7076 1 16 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.796 -0.216 25961 7077 1 16 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.830 -1.287 25961 7078 1 16 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.463 1.319 25961 7079 1 16 . 1 1 12 12 ALA H H 12 8.861 8.861 8.038 0.823 25961 7080 1 16 . 1 1 13 13 VAL N N 13 121.395 121.395 123.506 -2.111 25961 7081 1 16 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.035 0.516 25961 7082 1 16 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.758 -1.476 25961 7083 1 16 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.755 -1.061 25961 7084 1 16 . 1 1 13 13 VAL H H 13 8.585 8.585 8.624 -0.039 25961 7085 1 16 . 1 1 14 14 GLY N N 14 117.546 117.546 116.112 1.434 25961 7086 1 16 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.451 -2.067 25961 7087 1 16 . 1 1 14 14 GLY H H 14 8.789 8.789 7.968 0.821 25961 7088 1 16 . 1 1 15 15 ARG N N 15 120.075 120.075 120.027 0.048 25961 7089 1 16 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.693 0.417 25961 7090 1 16 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.355 -1.462 25961 7091 1 16 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.406 0.350 25961 7092 1 16 . 1 1 15 15 ARG H H 15 8.299 8.299 8.295 0.004 25961 7093 1 16 . 1 1 16 16 ASP N N 16 123.872 123.872 120.501 3.371 25961 7094 1 16 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.744 0.001 25961 7095 1 16 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.045 -1.674 25961 7096 1 16 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.736 -0.985 25961 7097 1 16 . 1 1 16 16 ASP H H 16 8.619 8.619 8.422 0.197 25961 7098 1 16 . 1 1 17 17 SER N N 17 114.309 114.309 113.688 0.621 25961 7099 1 16 . 1 1 17 17 SER HA H 17 4.196 4.196 4.287 -0.091 25961 7100 1 16 . 1 1 17 17 SER CA C 17 59.950 59.950 60.675 -0.725 25961 7101 1 16 . 1 1 17 17 SER CB C 17 61.825 61.825 63.420 -1.595 25961 7102 1 16 . 1 1 17 17 SER H H 17 8.624 8.624 8.483 0.141 25961 7103 1 16 . 1 1 18 18 SER N N 18 117.903 117.903 116.076 1.827 25961 7104 1 16 . 1 1 18 18 SER HA H 18 4.597 4.597 4.460 0.137 25961 7105 1 16 . 1 1 18 18 SER CA C 18 57.732 57.732 58.676 -0.944 25961 7106 1 16 . 1 1 18 18 SER CB C 18 63.470 63.470 64.341 -0.871 25961 7107 1 16 . 1 1 18 18 SER H H 18 8.385 8.385 7.834 0.551 25961 7108 1 16 . 1 1 19 19 GLY N N 19 109.883 109.883 109.814 0.069 25961 7109 1 16 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.053 -0.882 25961 7110 1 16 . 1 1 19 19 GLY H H 19 8.214 8.214 8.840 -0.626 25961 7111 1 16 . 1 1 20 20 CYS N N 20 122.167 122.167 118.213 3.954 25961 7112 1 16 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.694 -0.206 25961 7113 1 16 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.594 0.443 25961 7114 1 16 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.898 -2.213 25961 7115 1 16 . 1 1 20 20 CYS H H 20 8.286 8.286 8.211 0.075 25961 7116 1 16 . 1 1 21 21 THR N N 21 119.387 119.387 114.868 4.519 25961 7117 1 16 . 1 1 21 21 THR HA H 21 4.764 4.764 3.900 0.864 25961 7118 1 16 . 1 1 21 21 THR CA C 21 61.953 61.953 63.731 -1.778 25961 7119 1 16 . 1 1 21 21 THR CB C 21 68.795 68.795 67.497 1.298 25961 7120 1 16 . 1 1 21 21 THR H H 21 8.626 8.626 8.050 0.576 25961 7121 1 16 . 1 1 22 22 THR N N 22 116.611 116.611 116.029 0.582 25961 7122 1 16 . 1 1 22 22 THR HA H 22 4.513 4.513 4.781 -0.268 25961 7123 1 16 . 1 1 22 22 THR CA C 22 58.918 58.918 60.322 -1.404 25961 7124 1 16 . 1 1 22 22 THR CB C 22 71.128 71.128 70.784 0.343 25961 7125 1 16 . 1 1 22 22 THR H H 22 8.343 8.343 7.805 0.538 25961 7126 1 16 . 1 1 23 23 LEU N N 23 122.893 122.893 123.898 -1.005 25961 7127 1 16 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.099 -0.167 25961 7128 1 16 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.857 -1.370 25961 7129 1 16 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.953 -2.688 25961 7130 1 16 . 1 1 23 23 LEU H H 23 9.157 9.157 8.654 0.503 25961 7131 1 16 . 1 1 24 24 SER N N 24 116.771 116.771 115.003 1.768 25961 7132 1 16 . 1 1 24 24 SER HA H 24 5.173 5.173 4.789 0.384 25961 7133 1 16 . 1 1 24 24 SER CA C 24 55.247 55.247 57.347 -2.100 25961 7134 1 16 . 1 1 24 24 SER CB C 24 64.841 64.841 65.238 -0.397 25961 7135 1 16 . 1 1 24 24 SER H H 24 8.656 8.656 7.961 0.695 25961 7136 1 16 . 1 1 25 25 ILE N N 25 122.747 122.747 124.920 -2.173 25961 7137 1 16 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.498 -0.467 25961 7138 1 16 . 1 1 25 25 ILE CA C 25 61.270 61.270 61.607 -0.337 25961 7139 1 16 . 1 1 25 25 ILE CB C 25 34.649 34.649 38.457 -3.808 25961 7140 1 16 . 1 1 25 25 ILE H H 25 9.023 9.023 8.216 0.807 25961 7141 1 16 . 1 1 26 26 GLN N N 26 129.779 129.779 125.338 4.441 25961 7142 1 16 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.377 0.052 25961 7143 1 16 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.312 -1.726 25961 7144 1 16 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.036 0.240 25961 7145 1 16 . 1 1 26 26 GLN H H 26 9.093 9.093 8.462 0.631 25961 7146 1 16 . 1 1 27 27 GLU N N 27 118.722 118.722 117.552 1.170 25961 7147 1 16 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.658 0.306 25961 7148 1 16 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.354 -0.332 25961 7149 1 16 . 1 1 27 27 GLU H H 27 7.479 7.479 8.029 -0.550 25961 7150 1 16 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.397 0.046 25961 7151 1 16 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.652 -0.497 25961 7152 1 16 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.678 1.002 25961 7153 1 16 . 1 1 29 29 THR N N 29 124.459 124.459 119.058 5.401 25961 7154 1 16 . 1 1 29 29 THR HA H 29 4.183 4.183 4.516 -0.333 25961 7155 1 16 . 1 1 29 29 THR CA C 29 62.474 62.474 62.708 -0.234 25961 7156 1 16 . 1 1 29 29 THR CB C 29 68.811 68.811 69.237 -0.426 25961 7157 1 16 . 1 1 29 29 THR H H 29 8.009 8.009 8.723 -0.714 25961 7158 1 16 . 1 1 30 30 GLN N N 30 130.053 130.053 119.835 10.218 25961 7159 1 16 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.445 -0.923 25961 7160 1 16 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.276 1.610 25961 7161 1 16 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.827 -1.522 25961 7162 1 16 . 1 1 30 30 GLN H H 30 9.321 9.321 8.621 0.700 25961 7163 1 16 . 1 1 31 31 THR N N 31 111.234 111.234 107.815 3.419 25961 7164 1 16 . 1 1 31 31 THR HA H 31 5.509 5.509 4.539 0.970 25961 7165 1 16 . 1 1 31 31 THR CA C 31 58.798 58.798 61.154 -2.356 25961 7166 1 16 . 1 1 31 31 THR CB C 31 71.374 71.374 68.891 2.483 25961 7167 1 16 . 1 1 31 31 THR H H 31 7.630 7.630 7.814 -0.184 25961 7168 1 16 . 1 1 32 32 TYR N N 32 121.998 121.998 121.664 0.334 25961 7169 1 16 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.647 0.156 25961 7170 1 16 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.370 -3.571 25961 7171 1 16 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.992 -2.274 25961 7172 1 16 . 1 1 32 32 TYR H H 32 9.359 9.359 7.456 1.903 25961 7173 1 16 . 1 1 33 33 THR N N 33 114.039 114.039 116.592 -2.553 25961 7174 1 16 . 1 1 33 33 THR HA H 33 4.390 4.390 4.628 -0.238 25961 7175 1 16 . 1 1 33 33 THR CA C 33 59.896 59.896 61.370 -1.474 25961 7176 1 16 . 1 1 33 33 THR CB C 33 69.135 69.135 72.496 -3.361 25961 7177 1 16 . 1 1 33 33 THR H H 33 7.985 7.985 7.972 0.013 25961 7178 1 16 . 1 1 34 34 GLY N N 34 113.445 113.445 109.209 4.236 25961 7179 1 16 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.813 -1.741 25961 7180 1 16 . 1 1 34 34 GLY H H 34 8.698 8.698 8.311 0.387 25961 7181 1 16 . 1 1 35 35 SER N N 35 113.837 113.837 117.326 -3.489 25961 7182 1 16 . 1 1 35 35 SER HA H 35 4.264 4.264 4.593 -0.329 25961 7183 1 16 . 1 1 35 35 SER CA C 35 57.651 57.651 57.962 -0.311 25961 7184 1 16 . 1 1 35 35 SER CB C 35 63.056 63.056 64.641 -1.585 25961 7185 1 16 . 1 1 35 35 SER H H 35 8.039 8.039 8.068 -0.029 25961 7186 1 16 . 1 1 36 36 ASN N N 36 119.749 119.749 121.216 -1.467 25961 7187 1 16 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.449 0.135 25961 7188 1 16 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.188 -1.407 25961 7189 1 16 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.066 -0.880 25961 7190 1 16 . 1 1 36 36 ASN H H 36 8.767 8.767 9.050 -0.283 25961 7191 1 16 . 1 1 37 37 GLY N N 37 110.628 110.628 104.169 6.459 25961 7192 1 16 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.954 -0.369 25961 7193 1 16 . 1 1 37 37 GLY H H 37 8.496 8.496 7.872 0.624 25961 7194 1 16 . 1 1 38 38 GLY N N 38 108.654 108.654 109.130 -0.476 25961 7195 1 16 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.053 -0.953 25961 7196 1 16 . 1 1 38 38 GLY H H 38 7.955 7.955 8.027 -0.072 25961 7197 1 16 . 1 1 39 39 ALA N N 39 123.326 123.326 124.826 -1.500 25961 7198 1 16 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.302 -0.091 25961 7199 1 16 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.720 -0.882 25961 7200 1 16 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.424 -1.695 25961 7201 1 16 . 1 1 39 39 ALA H H 39 8.028 8.028 7.682 0.346 25961 7202 1 16 . 1 1 40 40 ASP N N 40 119.573 119.573 120.543 -0.970 25961 7203 1 16 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.483 -0.096 25961 7204 1 16 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.935 0.059 25961 7205 1 16 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.477 -0.850 25961 7206 1 16 . 1 1 40 40 ASP H H 40 8.261 8.261 8.262 -0.001 25961 7207 1 16 . 1 1 41 41 LEU N N 41 123.899 123.899 122.435 1.464 25961 7208 1 16 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.467 -0.025 25961 7209 1 16 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.396 -2.175 25961 7210 1 16 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.628 -2.619 25961 7211 1 16 . 1 1 41 41 LEU H H 41 8.663 8.663 7.942 0.721 25961 7212 1 16 . 1 1 42 42 MET N N 42 119.684 119.684 117.941 1.743 25961 7213 1 16 . 1 1 42 42 MET HA H 42 4.730 4.730 4.702 0.028 25961 7214 1 16 . 1 1 42 42 MET CA C 42 54.695 54.695 55.251 -0.556 25961 7215 1 16 . 1 1 42 42 MET CB C 42 32.194 32.194 33.131 -0.937 25961 7216 1 16 . 1 1 42 42 MET H H 42 8.553 8.553 8.244 0.309 25961 7217 1 16 . 1 1 43 43 GLY N N 43 113.052 113.052 110.812 2.240 25961 7218 1 16 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.462 -3.084 25961 7219 1 16 . 1 1 43 43 GLY H H 43 8.618 8.618 8.711 -0.093 25961 7220 1 16 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.572 0.148 25961 7221 1 16 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.531 -3.300 25961 7222 1 16 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.631 0.322 25961 7223 1 16 . 1 1 45 45 ALA N N 45 120.693 120.693 122.070 -1.377 25961 7224 1 16 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.171 -0.187 25961 7225 1 16 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.861 -1.058 25961 7226 1 16 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.028 -0.061 25961 7227 1 16 . 1 1 45 45 ALA H H 45 7.524 7.524 8.318 -0.794 25961 7228 1 16 . 1 1 46 46 PHE N N 46 122.306 122.306 119.058 3.248 25961 7229 1 16 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.184 -0.222 25961 7230 1 16 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.726 0.600 25961 7231 1 16 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.041 -0.421 25961 7232 1 16 . 1 1 46 46 PHE H H 46 8.603 8.603 8.124 0.479 25961 7233 1 16 . 1 1 47 47 ALA N N 47 123.253 123.253 121.236 2.017 25961 7234 1 16 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.076 0.012 25961 7235 1 16 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.285 -0.334 25961 7236 1 16 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.239 -0.592 25961 7237 1 16 . 1 1 47 47 ALA H H 47 9.199 9.199 7.774 1.425 25961 7238 1 16 . 1 1 48 48 ALA N N 48 117.571 117.571 119.738 -2.167 25961 7239 1 16 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.267 0.036 25961 7240 1 16 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.898 -0.211 25961 7241 1 16 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.015 -1.242 25961 7242 1 16 . 1 1 48 48 ALA H H 48 7.262 7.262 7.303 -0.040 25961 7243 1 16 . 1 1 49 49 GLY N N 49 103.229 103.229 105.820 -2.591 25961 7244 1 16 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.644 -1.025 25961 7245 1 16 . 1 1 49 49 GLY H H 49 7.461 7.461 7.894 -0.433 25961 7246 1 16 . 1 1 50 50 LEU N N 50 120.470 120.470 123.068 -2.598 25961 7247 1 16 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.115 -0.597 25961 7248 1 16 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.510 -1.098 25961 7249 1 16 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.504 0.451 25961 7250 1 16 . 1 1 50 50 LEU H H 50 7.224 7.224 8.105 -0.881 25961 7251 1 16 . 1 1 51 51 ARG N N 51 119.645 119.645 123.320 -3.675 25961 7252 1 16 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.042 -1.551 25961 7253 1 16 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.589 -0.773 25961 7254 1 16 . 1 1 51 51 ARG H H 51 8.678 8.678 8.148 0.530 25961 7255 1 16 . 1 1 52 52 VAL N N 52 119.995 119.995 119.697 0.298 25961 7256 1 16 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.712 -0.489 25961 7257 1 16 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.415 0.803 25961 7258 1 16 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.285 -1.136 25961 7259 1 16 . 1 1 52 52 VAL H H 52 8.482 8.482 8.468 0.014 25961 7260 1 16 . 1 1 53 53 GLY N N 53 117.052 117.052 116.008 1.044 25961 7261 1 16 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.783 -1.358 25961 7262 1 16 . 1 1 53 53 GLY H H 53 9.122 9.122 9.076 0.046 25961 7263 1 16 . 1 1 54 54 ASP N N 54 124.203 124.203 124.375 -0.172 25961 7264 1 16 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.672 0.161 25961 7265 1 16 . 1 1 54 54 ASP CA C 54 54.734 54.734 55.604 -0.870 25961 7266 1 16 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.282 -1.003 25961 7267 1 16 . 1 1 54 54 ASP H H 54 7.848 7.848 7.748 0.100 25961 7268 1 16 . 1 1 55 55 GLN N N 55 121.703 121.703 120.464 1.239 25961 7269 1 16 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.611 0.256 25961 7270 1 16 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.100 -1.575 25961 7271 1 16 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.191 -1.159 25961 7272 1 16 . 1 1 55 55 GLN H H 55 9.158 9.158 8.160 0.998 25961 7273 1 16 . 1 1 56 56 LEU N N 56 124.733 124.733 126.225 -1.492 25961 7274 1 16 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.543 -0.356 25961 7275 1 16 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.886 0.309 25961 7276 1 16 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.546 -0.533 25961 7277 1 16 . 1 1 56 56 LEU H H 56 8.770 8.770 8.737 0.033 25961 7278 1 16 . 1 1 57 57 VAL N N 57 123.383 123.383 125.800 -2.417 25961 7279 1 16 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.240 0.068 25961 7280 1 16 . 1 1 57 57 VAL CA C 57 63.143 63.143 63.045 0.098 25961 7281 1 16 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.309 -0.674 25961 7282 1 16 . 1 1 57 57 VAL H H 57 8.889 8.889 8.002 0.887 25961 7283 1 16 . 1 1 58 58 ARG N N 58 118.094 118.094 115.686 2.408 25961 7284 1 16 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.906 1.432 25961 7285 1 16 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.233 -3.021 25961 7286 1 16 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.161 6.452 25961 7287 1 16 . 1 1 58 58 ARG H H 58 8.531 8.531 7.613 0.918 25961 7288 1 16 . 1 1 59 59 PHE N N 59 123.332 123.332 117.342 5.990 25961 7289 1 16 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.637 0.298 25961 7290 1 16 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.042 0.814 25961 7291 1 16 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.128 0.843 25961 7292 1 16 . 1 1 59 59 PHE H H 59 9.295 9.295 7.613 1.682 25961 7293 1 16 . 1 1 60 60 ALA N N 60 127.537 127.537 127.802 -0.265 25961 7294 1 16 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.236 -0.649 25961 7295 1 16 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.392 -0.018 25961 7296 1 16 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.254 -1.781 25961 7297 1 16 . 1 1 60 60 ALA H H 60 8.356 8.356 7.789 0.567 25961 7298 1 16 . 1 1 61 61 GLY N N 61 103.058 103.058 112.765 -9.707 25961 7299 1 16 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.680 -0.893 25961 7300 1 16 . 1 1 61 61 GLY H H 61 9.178 9.178 7.834 1.344 25961 7301 1 16 . 1 1 62 62 TYR N N 62 120.218 120.218 116.855 3.363 25961 7302 1 16 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.202 0.428 25961 7303 1 16 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.280 -1.703 25961 7304 1 16 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.356 3.536 25961 7305 1 16 . 1 1 62 62 TYR H H 62 7.888 7.888 7.603 0.285 25961 7306 1 16 . 1 1 63 63 THR N N 63 120.933 120.933 112.625 8.308 25961 7307 1 16 . 1 1 63 63 THR HA H 63 4.479 4.479 5.084 -0.605 25961 7308 1 16 . 1 1 63 63 THR CA C 63 62.851 62.851 60.497 2.354 25961 7309 1 16 . 1 1 63 63 THR CB C 63 67.848 67.848 71.617 -3.769 25961 7310 1 16 . 1 1 63 63 THR H H 63 9.108 9.108 7.815 1.293 25961 7311 1 16 . 1 1 64 64 VAL N N 64 121.039 121.039 123.081 -2.042 25961 7312 1 16 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.468 0.131 25961 7313 1 16 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.967 -1.100 25961 7314 1 16 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.348 -2.344 25961 7315 1 16 . 1 1 64 64 VAL H H 64 7.782 7.782 8.379 -0.597 25961 7316 1 16 . 1 1 65 65 THR N N 65 114.373 114.373 114.917 -0.544 25961 7317 1 16 . 1 1 65 65 THR HA H 65 4.452 4.452 4.414 0.038 25961 7318 1 16 . 1 1 65 65 THR CA C 65 60.536 60.536 62.435 -1.899 25961 7319 1 16 . 1 1 65 65 THR CB C 65 69.037 69.037 69.569 -0.532 25961 7320 1 16 . 1 1 65 65 THR H H 65 9.053 9.053 8.295 0.758 25961 7321 1 16 . 1 1 66 66 GLU N N 66 115.766 115.766 118.912 -3.146 25961 7322 1 16 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.373 0.190 25961 7323 1 16 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.797 -2.410 25961 7324 1 16 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.526 1.039 25961 7325 1 16 . 1 1 66 66 GLU H H 66 7.345 7.345 7.916 -0.571 25961 7326 1 16 . 1 1 67 67 LEU N N 67 124.674 124.674 116.280 8.394 25961 7327 1 16 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.350 -0.416 25961 7328 1 16 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.591 -0.056 25961 7329 1 16 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.864 0.189 25961 7330 1 16 . 1 1 67 67 LEU H H 67 8.906 8.906 8.570 0.336 25961 7331 1 16 . 1 1 68 68 ALA N N 68 120.493 120.493 121.436 -0.943 25961 7332 1 16 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.043 0.093 25961 7333 1 16 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.891 -0.217 25961 7334 1 16 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.866 -1.345 25961 7335 1 16 . 1 1 68 68 ALA H H 68 9.022 9.022 7.740 1.282 25961 7336 1 16 . 1 1 69 69 ALA N N 69 119.695 119.695 121.686 -1.991 25961 7337 1 16 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.185 -0.023 25961 7338 1 16 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.442 -0.422 25961 7339 1 16 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.545 -0.882 25961 7340 1 16 . 1 1 69 69 ALA H H 69 7.258 7.258 7.611 -0.353 25961 7341 1 16 . 1 1 70 70 PHE N N 70 119.274 119.274 119.278 -0.004 25961 7342 1 16 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.063 -0.104 25961 7343 1 16 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.217 -0.257 25961 7344 1 16 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.678 -1.246 25961 7345 1 16 . 1 1 70 70 PHE H H 70 7.769 7.769 7.834 -0.065 25961 7346 1 16 . 1 1 71 71 ASN N N 71 117.363 117.363 117.838 -0.475 25961 7347 1 16 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.310 -0.208 25961 7348 1 16 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.330 -2.633 25961 7349 1 16 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.688 -2.615 25961 7350 1 16 . 1 1 71 71 ASN H H 71 8.801 8.801 8.089 0.712 25961 7351 1 16 . 1 1 72 72 THR N N 72 119.746 119.746 115.452 4.294 25961 7352 1 16 . 1 1 72 72 THR HA H 72 4.220 4.220 4.057 0.163 25961 7353 1 16 . 1 1 72 72 THR CA C 72 65.927 65.927 66.225 -0.298 25961 7354 1 16 . 1 1 72 72 THR CB C 72 67.600 67.600 68.799 -1.200 25961 7355 1 16 . 1 1 72 72 THR H H 72 8.109 8.109 7.313 0.796 25961 7356 1 16 . 1 1 73 73 VAL N N 73 123.156 123.156 121.952 1.204 25961 7357 1 16 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.784 -0.329 25961 7358 1 16 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.589 -0.433 25961 7359 1 16 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.290 -0.954 25961 7360 1 16 . 1 1 73 73 VAL H H 73 7.744 7.744 7.507 0.237 25961 7361 1 16 . 1 1 74 74 VAL N N 74 120.420 120.420 120.164 0.256 25961 7362 1 16 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.349 0.017 25961 7363 1 16 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.817 -1.218 25961 7364 1 16 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.526 -0.041 25961 7365 1 16 . 1 1 74 74 VAL H H 74 8.154 8.154 8.213 -0.059 25961 7366 1 16 . 1 1 75 75 ALA N N 75 120.206 120.206 122.228 -2.022 25961 7367 1 16 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.019 -0.024 25961 7368 1 16 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.207 -1.208 25961 7369 1 16 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.447 -1.483 25961 7370 1 16 . 1 1 75 75 ALA H H 75 7.788 7.788 7.717 0.071 25961 7371 1 16 . 1 1 76 76 ARG N N 76 114.701 114.701 115.773 -1.072 25961 7372 1 16 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.147 -0.062 25961 7373 1 16 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.847 -0.865 25961 7374 1 16 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.990 0.694 25961 7375 1 16 . 1 1 76 76 ARG H H 76 7.705 7.705 7.530 0.175 25961 7376 1 16 . 1 1 77 77 HIS N N 77 112.695 112.695 117.649 -4.954 25961 7377 1 16 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.473 0.337 25961 7378 1 16 . 1 1 77 77 HIS CA C 77 56.161 56.161 58.435 -2.275 25961 7379 1 16 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.169 0.864 25961 7380 1 16 . 1 1 77 77 HIS H H 77 8.123 8.123 8.122 0.001 25961 7381 1 16 . 1 1 78 78 VAL N N 78 119.219 119.219 120.359 -1.140 25961 7382 1 16 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.980 -0.087 25961 7383 1 16 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.029 -0.464 25961 7384 1 16 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.615 -0.487 25961 7385 1 16 . 1 1 78 78 VAL H H 78 8.034 8.034 8.038 -0.004 25961 7386 1 16 . 1 1 79 79 ARG N N 79 126.908 126.908 126.975 -0.067 25961 7387 1 16 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.727 -1.366 25961 7388 1 16 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.828 -3.637 25961 7389 1 16 . 1 1 79 79 ARG H H 79 7.023 7.023 8.886 -1.863 25961 7390 1 16 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.515 -0.490 25961 7391 1 16 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.469 0.101 25961 7392 1 16 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.977 0.235 25961 7393 1 16 . 1 1 81 81 SER N N 81 115.039 115.039 116.598 -1.559 25961 7394 1 16 . 1 1 81 81 SER HA H 81 4.047 4.047 3.949 0.098 25961 7395 1 16 . 1 1 81 81 SER CA C 81 60.713 60.713 59.071 1.642 25961 7396 1 16 . 1 1 81 81 SER H H 81 8.210 8.210 8.467 -0.257 25961 7397 1 16 . 1 1 82 82 ALA N N 82 123.546 123.546 123.801 -0.255 25961 7398 1 16 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.450 -0.104 25961 7399 1 16 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.386 0.120 25961 7400 1 16 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.579 -0.484 25961 7401 1 16 . 1 1 82 82 ALA H H 82 7.770 7.770 7.434 0.336 25961 7402 1 16 . 1 1 83 83 SER N N 83 116.753 116.753 120.298 -3.545 25961 7403 1 16 . 1 1 83 83 SER HA H 83 5.129 5.129 4.911 0.218 25961 7404 1 16 . 1 1 83 83 SER CA C 83 56.582 56.582 58.300 -1.718 25961 7405 1 16 . 1 1 83 83 SER CB C 83 62.554 62.554 63.882 -1.328 25961 7406 1 16 . 1 1 83 83 SER H H 83 8.524 8.524 8.535 -0.011 25961 7407 1 16 . 1 1 84 84 ILE N N 84 126.985 126.985 126.228 0.757 25961 7408 1 16 . 1 1 84 84 ILE CA C 84 54.786 54.786 56.995 -2.209 25961 7409 1 16 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.559 -2.135 25961 7410 1 16 . 1 1 84 84 ILE H H 84 9.599 9.599 8.235 1.365 25961 7411 1 16 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.500 0.445 25961 7412 1 16 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.513 -0.959 25961 7413 1 16 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.381 0.046 25961 7414 1 16 . 1 1 86 86 VAL N N 86 123.811 123.811 126.507 -2.696 25961 7415 1 16 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.246 0.603 25961 7416 1 16 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.674 -0.901 25961 7417 1 16 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.805 -0.161 25961 7418 1 16 . 1 1 86 86 VAL H H 86 9.033 9.033 7.942 1.091 25961 7419 1 16 . 1 1 87 87 VAL N N 87 127.839 127.839 124.310 3.529 25961 7420 1 16 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.101 0.871 25961 7421 1 16 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.060 -1.367 25961 7422 1 16 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.602 -0.184 25961 7423 1 16 . 1 1 87 87 VAL H H 87 9.132 9.132 8.265 0.867 25961 7424 1 16 . 1 1 88 88 PHE N N 88 127.301 127.301 126.846 0.455 25961 7425 1 16 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.294 0.324 25961 7426 1 16 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.308 -2.097 25961 7427 1 16 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.338 -2.336 25961 7428 1 16 . 1 1 88 88 PHE H H 88 9.248 9.248 8.054 1.194 25961 7429 1 16 . 1 1 89 89 SER N N 89 113.734 113.734 113.774 -0.040 25961 7430 1 16 . 1 1 89 89 SER HA H 89 5.336 5.336 5.210 0.126 25961 7431 1 16 . 1 1 89 89 SER CA C 89 54.452 54.452 57.400 -2.948 25961 7432 1 16 . 1 1 89 89 SER CB C 89 64.474 64.474 66.326 -1.852 25961 7433 1 16 . 1 1 89 89 SER H H 89 9.689 9.689 8.376 1.313 25961 7434 1 16 . 1 1 90 90 ARG N N 90 128.114 128.114 123.826 4.288 25961 7435 1 16 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.508 0.239 25961 7436 1 16 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.615 -1.493 25961 7437 1 16 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.474 0.862 25961 7438 1 16 . 1 1 90 90 ARG H H 90 8.561 8.561 8.247 0.314 25961 7439 1 16 . 1 1 91 91 ASP N N 91 129.790 129.790 124.879 4.911 25961 7440 1 16 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.355 -0.086 25961 7441 1 16 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.496 -0.995 25961 7442 1 16 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.987 0.094 25961 7443 1 16 . 1 1 91 91 ASP H H 91 9.461 9.461 9.419 0.042 25961 7444 1 16 . 1 1 92 92 GLY N N 92 102.404 102.404 104.477 -2.073 25961 7445 1 16 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.852 -0.547 25961 7446 1 16 . 1 1 92 92 GLY H H 92 8.391 8.391 8.134 0.257 25961 7447 1 16 . 1 1 93 93 VAL N N 93 123.090 123.090 121.411 1.679 25961 7448 1 16 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.945 0.057 25961 7449 1 16 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.790 -1.524 25961 7450 1 16 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.758 -0.940 25961 7451 1 16 . 1 1 93 93 VAL H H 93 7.682 7.682 7.364 0.318 25961 7452 1 16 . 1 1 94 94 VAL N N 94 128.414 128.414 126.394 2.020 25961 7453 1 16 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.997 0.137 25961 7454 1 16 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.504 0.836 25961 7455 1 16 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.767 -2.651 25961 7456 1 16 . 1 1 94 94 VAL H H 94 8.400 8.400 8.239 0.161 25961 7457 1 16 . 1 1 95 95 MET N N 95 129.196 129.196 128.222 0.974 25961 7458 1 16 . 1 1 95 95 MET HA H 95 4.352 4.352 4.970 -0.618 25961 7459 1 16 . 1 1 95 95 MET CA C 95 53.674 53.674 54.512 -0.838 25961 7460 1 16 . 1 1 95 95 MET CB C 95 36.104 36.104 36.753 -0.649 25961 7461 1 16 . 1 1 95 95 MET H H 95 9.100 9.100 8.425 0.675 25961 7462 1 16 . 1 1 96 96 SER N N 96 111.540 111.540 115.540 -4.000 25961 7463 1 16 . 1 1 96 96 SER HA H 96 5.469 5.469 5.047 0.422 25961 7464 1 16 . 1 1 96 96 SER CA C 96 55.830 55.830 57.727 -1.897 25961 7465 1 16 . 1 1 96 96 SER CB C 96 65.471 65.471 65.233 0.238 25961 7466 1 16 . 1 1 96 96 SER H H 96 8.004 8.004 8.406 -0.402 25961 7467 1 16 . 1 1 97 97 ALA N N 97 124.079 124.079 128.315 -4.236 25961 7468 1 16 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.856 -0.068 25961 7469 1 16 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.278 -1.879 25961 7470 1 16 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.381 0.163 25961 7471 1 16 . 1 1 97 97 ALA H H 97 9.145 9.145 8.407 0.738 25961 7472 1 16 . 1 1 98 98 THR N N 98 117.342 117.342 118.462 -1.120 25961 7473 1 16 . 1 1 98 98 THR HA H 98 4.823 4.823 4.404 0.419 25961 7474 1 16 . 1 1 98 98 THR CA C 98 61.053 61.053 63.301 -2.248 25961 7475 1 16 . 1 1 98 98 THR CB C 98 69.913 69.913 69.165 0.748 25961 7476 1 16 . 1 1 98 98 THR H H 98 8.754 8.754 8.449 0.305 25961 7477 1 16 . 1 1 99 99 ILE N N 99 125.689 125.689 125.455 0.234 25961 7478 1 16 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.635 -0.524 25961 7479 1 16 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.292 -0.923 25961 7480 1 16 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.343 -0.652 25961 7481 1 16 . 1 1 99 99 ILE H H 99 8.868 8.868 8.114 0.754 25961 7482 1 16 . 1 1 100 100 VAL N N 100 129.871 129.871 127.147 2.724 25961 7483 1 16 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.394 0.272 25961 7484 1 16 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.467 0.401 25961 7485 1 16 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.768 -3.158 25961 7486 1 16 . 1 1 100 100 VAL H H 100 8.818 8.818 8.650 0.168 25961 7487 1 16 . 1 1 101 101 VAL N N 101 128.299 128.299 124.903 3.396 25961 7488 1 16 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.483 -1.114 25961 7489 1 16 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.677 2.650 25961 7490 1 16 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.316 -1.342 25961 7491 1 16 . 1 1 101 101 VAL H H 101 8.795 8.795 7.772 1.023 25961 7492 1 16 . 1 1 102 102 GLY N N 102 115.466 115.466 113.609 1.857 25961 7493 1 16 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.310 -0.630 25961 7494 1 16 . 1 1 102 102 GLY H H 102 8.393 8.393 8.568 -0.175 25961 7495 1 16 . 1 1 103 103 GLU N N 103 119.459 119.459 124.991 -5.532 25961 7496 1 16 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.433 0.522 25961 7497 1 16 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.642 -2.896 25961 7498 1 16 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.200 2.001 25961 7499 1 16 . 1 1 103 103 GLU H H 103 8.386 8.386 8.636 -0.250 25961 7500 1 16 . 1 1 104 104 LEU N N 104 123.881 123.881 116.203 7.678 25961 7501 1 16 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.585 0.115 25961 7502 1 16 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.432 -0.865 25961 7503 1 16 . 1 1 104 104 LEU CB C 104 44.058 44.058 44.465 -0.407 25961 7504 1 16 . 1 1 104 104 LEU H H 104 8.735 8.735 7.698 1.037 25961 7505 1 17 . 1 1 2 2 LEU N N 2 122.611 122.611 117.504 5.107 25961 7506 1 17 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.769 -0.377 25961 7507 1 17 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.354 -0.022 25961 7508 1 17 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.634 -4.317 25961 7509 1 17 . 1 1 2 2 LEU H H 2 8.535 8.535 8.378 0.157 25961 7510 1 17 . 1 1 3 3 THR N N 3 112.475 112.475 113.457 -0.982 25961 7511 1 17 . 1 1 3 3 THR HA H 3 4.777 4.777 4.595 0.182 25961 7512 1 17 . 1 1 3 3 THR CA C 3 59.259 59.259 60.052 -0.793 25961 7513 1 17 . 1 1 3 3 THR CB C 3 70.185 70.185 70.647 -0.462 25961 7514 1 17 . 1 1 3 3 THR H H 3 7.903 7.903 8.518 -0.615 25961 7515 1 17 . 1 1 4 4 ARG N N 4 120.183 120.183 124.028 -3.845 25961 7516 1 17 . 1 1 4 4 ARG H H 4 8.809 8.809 8.615 0.194 25961 7517 1 17 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.410 -0.038 25961 7518 1 17 . 1 1 5 5 PRO CA C 5 65.017 65.017 64.849 0.168 25961 7519 1 17 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.275 -0.687 25961 7520 1 17 . 1 1 6 6 TYR N N 6 120.727 120.727 119.007 1.720 25961 7521 1 17 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.475 0.159 25961 7522 1 17 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.372 -1.296 25961 7523 1 17 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.572 1.482 25961 7524 1 17 . 1 1 6 6 TYR H H 6 7.530 7.530 7.873 -0.343 25961 7525 1 17 . 1 1 7 7 LEU N N 7 126.575 126.575 118.281 8.294 25961 7526 1 17 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.174 -0.767 25961 7527 1 17 . 1 1 7 7 LEU H H 7 8.500 8.500 8.053 0.447 25961 7528 1 17 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.643 1.064 25961 7529 1 17 . 1 1 9 9 PHE N N 9 114.612 114.612 116.786 -2.174 25961 7530 1 17 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.758 0.600 25961 7531 1 17 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.388 -1.126 25961 7532 1 17 . 1 1 9 9 PHE CB C 9 39.454 39.454 41.803 -2.349 25961 7533 1 17 . 1 1 9 9 PHE H H 9 7.102 7.102 7.307 -0.205 25961 7534 1 17 . 1 1 10 10 ARG N N 10 117.800 117.800 121.302 -3.502 25961 7535 1 17 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.552 0.119 25961 7536 1 17 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.726 -1.327 25961 7537 1 17 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.041 0.774 25961 7538 1 17 . 1 1 10 10 ARG H H 10 8.206 8.206 8.434 -0.228 25961 7539 1 17 . 1 1 11 11 VAL N N 11 117.216 117.216 121.204 -3.988 25961 7540 1 17 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.875 0.292 25961 7541 1 17 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.022 -1.832 25961 7542 1 17 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.002 -1.127 25961 7543 1 17 . 1 1 11 11 VAL H H 11 8.601 8.601 8.369 0.232 25961 7544 1 17 . 1 1 12 12 ALA N N 12 123.025 123.025 131.459 -8.434 25961 7545 1 17 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.793 -0.213 25961 7546 1 17 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.948 -1.405 25961 7547 1 17 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.887 0.895 25961 7548 1 17 . 1 1 12 12 ALA H H 12 8.861 8.861 8.175 0.686 25961 7549 1 17 . 1 1 13 13 VAL N N 13 121.395 121.395 124.380 -2.985 25961 7550 1 17 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.087 0.464 25961 7551 1 17 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.713 -0.430 25961 7552 1 17 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.385 -0.691 25961 7553 1 17 . 1 1 13 13 VAL H H 13 8.585 8.585 8.602 -0.017 25961 7554 1 17 . 1 1 14 14 GLY N N 14 117.546 117.546 116.141 1.405 25961 7555 1 17 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.151 -1.767 25961 7556 1 17 . 1 1 14 14 GLY H H 14 8.789 8.789 7.855 0.934 25961 7557 1 17 . 1 1 15 15 ARG N N 15 120.075 120.075 120.201 -0.126 25961 7558 1 17 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.705 0.405 25961 7559 1 17 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.337 -1.444 25961 7560 1 17 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.364 0.392 25961 7561 1 17 . 1 1 15 15 ARG H H 15 8.299 8.299 8.362 -0.063 25961 7562 1 17 . 1 1 16 16 ASP N N 16 123.872 123.872 121.158 2.714 25961 7563 1 17 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.872 -0.127 25961 7564 1 17 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.153 -1.782 25961 7565 1 17 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.056 -1.304 25961 7566 1 17 . 1 1 16 16 ASP H H 16 8.619 8.619 8.483 0.136 25961 7567 1 17 . 1 1 17 17 SER N N 17 114.309 114.309 114.899 -0.590 25961 7568 1 17 . 1 1 17 17 SER HA H 17 4.196 4.196 4.276 -0.080 25961 7569 1 17 . 1 1 17 17 SER CA C 17 59.950 59.950 60.665 -0.715 25961 7570 1 17 . 1 1 17 17 SER CB C 17 61.825 61.825 63.350 -1.525 25961 7571 1 17 . 1 1 17 17 SER H H 17 8.624 8.624 8.612 0.012 25961 7572 1 17 . 1 1 18 18 SER N N 18 117.903 117.903 116.218 1.685 25961 7573 1 17 . 1 1 18 18 SER HA H 18 4.597 4.597 4.477 0.120 25961 7574 1 17 . 1 1 18 18 SER CA C 18 57.732 57.732 59.783 -2.051 25961 7575 1 17 . 1 1 18 18 SER CB C 18 63.470 63.470 63.739 -0.269 25961 7576 1 17 . 1 1 18 18 SER H H 18 8.385 8.385 7.928 0.457 25961 7577 1 17 . 1 1 19 19 GLY N N 19 109.883 109.883 109.191 0.692 25961 7578 1 17 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.052 -0.881 25961 7579 1 17 . 1 1 19 19 GLY H H 19 8.214 8.214 8.427 -0.213 25961 7580 1 17 . 1 1 20 20 CYS N N 20 122.167 122.167 117.359 4.808 25961 7581 1 17 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.691 -0.203 25961 7582 1 17 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.023 0.014 25961 7583 1 17 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.458 -1.773 25961 7584 1 17 . 1 1 20 20 CYS H H 20 8.286 8.286 8.208 0.078 25961 7585 1 17 . 1 1 21 21 THR N N 21 119.387 119.387 114.518 4.869 25961 7586 1 17 . 1 1 21 21 THR HA H 21 4.764 4.764 3.973 0.791 25961 7587 1 17 . 1 1 21 21 THR CA C 21 61.953 61.953 63.385 -1.432 25961 7588 1 17 . 1 1 21 21 THR CB C 21 68.795 68.795 68.261 0.534 25961 7589 1 17 . 1 1 21 21 THR H H 21 8.626 8.626 7.851 0.775 25961 7590 1 17 . 1 1 22 22 THR N N 22 116.611 116.611 115.662 0.949 25961 7591 1 17 . 1 1 22 22 THR HA H 22 4.513 4.513 4.676 -0.163 25961 7592 1 17 . 1 1 22 22 THR CA C 22 58.918 58.918 59.836 -0.917 25961 7593 1 17 . 1 1 22 22 THR CB C 22 71.128 71.128 70.784 0.344 25961 7594 1 17 . 1 1 22 22 THR H H 22 8.343 8.343 8.056 0.287 25961 7595 1 17 . 1 1 23 23 LEU N N 23 122.893 122.893 123.988 -1.095 25961 7596 1 17 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.903 0.029 25961 7597 1 17 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.832 -1.345 25961 7598 1 17 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.005 -2.740 25961 7599 1 17 . 1 1 23 23 LEU H H 23 9.157 9.157 8.600 0.557 25961 7600 1 17 . 1 1 24 24 SER N N 24 116.771 116.771 114.369 2.402 25961 7601 1 17 . 1 1 24 24 SER HA H 24 5.173 5.173 4.758 0.415 25961 7602 1 17 . 1 1 24 24 SER CA C 24 55.247 55.247 57.114 -1.867 25961 7603 1 17 . 1 1 24 24 SER CB C 24 64.841 64.841 65.269 -0.428 25961 7604 1 17 . 1 1 24 24 SER H H 24 8.656 8.656 7.957 0.699 25961 7605 1 17 . 1 1 25 25 ILE N N 25 122.747 122.747 124.228 -1.481 25961 7606 1 17 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.344 -0.313 25961 7607 1 17 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.442 0.828 25961 7608 1 17 . 1 1 25 25 ILE CB C 25 34.649 34.649 40.062 -5.413 25961 7609 1 17 . 1 1 25 25 ILE H H 25 9.023 9.023 8.596 0.427 25961 7610 1 17 . 1 1 26 26 GLN N N 26 129.779 129.779 127.070 2.709 25961 7611 1 17 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.457 -0.028 25961 7612 1 17 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.897 -2.310 25961 7613 1 17 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.351 -0.075 25961 7614 1 17 . 1 1 26 26 GLN H H 26 9.093 9.093 8.526 0.567 25961 7615 1 17 . 1 1 27 27 GLU N N 27 118.722 118.722 116.468 2.254 25961 7616 1 17 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.687 0.277 25961 7617 1 17 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.685 -0.663 25961 7618 1 17 . 1 1 27 27 GLU H H 27 7.479 7.479 7.924 -0.445 25961 7619 1 17 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.464 -0.021 25961 7620 1 17 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.055 0.100 25961 7621 1 17 . 1 1 28 28 VAL CB C 28 33.680 33.680 33.476 0.204 25961 7622 1 17 . 1 1 29 29 THR N N 29 124.459 124.459 116.753 7.706 25961 7623 1 17 . 1 1 29 29 THR HA H 29 4.183 4.183 4.522 -0.339 25961 7624 1 17 . 1 1 29 29 THR CA C 29 62.474 62.474 61.456 1.018 25961 7625 1 17 . 1 1 29 29 THR CB C 29 68.811 68.811 68.784 0.027 25961 7626 1 17 . 1 1 29 29 THR H H 29 8.009 8.009 8.281 -0.272 25961 7627 1 17 . 1 1 30 30 GLN N N 30 130.053 130.053 119.623 10.430 25961 7628 1 17 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.521 -0.999 25961 7629 1 17 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.768 2.118 25961 7630 1 17 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.222 -0.917 25961 7631 1 17 . 1 1 30 30 GLN H H 30 9.321 9.321 8.343 0.978 25961 7632 1 17 . 1 1 31 31 THR N N 31 111.234 111.234 108.396 2.838 25961 7633 1 17 . 1 1 31 31 THR HA H 31 5.509 5.509 4.467 1.042 25961 7634 1 17 . 1 1 31 31 THR CA C 31 58.798 58.798 61.443 -2.645 25961 7635 1 17 . 1 1 31 31 THR CB C 31 71.374 71.374 69.521 1.853 25961 7636 1 17 . 1 1 31 31 THR H H 31 7.630 7.630 7.763 -0.133 25961 7637 1 17 . 1 1 32 32 TYR N N 32 121.998 121.998 121.758 0.240 25961 7638 1 17 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.675 0.128 25961 7639 1 17 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.911 -3.112 25961 7640 1 17 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.575 -1.857 25961 7641 1 17 . 1 1 32 32 TYR H H 32 9.359 9.359 7.561 1.798 25961 7642 1 17 . 1 1 33 33 THR N N 33 114.039 114.039 113.824 0.215 25961 7643 1 17 . 1 1 33 33 THR HA H 33 4.390 4.390 4.645 -0.255 25961 7644 1 17 . 1 1 33 33 THR CA C 33 59.896 59.896 61.706 -1.810 25961 7645 1 17 . 1 1 33 33 THR CB C 33 69.135 69.135 72.374 -3.239 25961 7646 1 17 . 1 1 33 33 THR H H 33 7.985 7.985 8.263 -0.278 25961 7647 1 17 . 1 1 34 34 GLY N N 34 113.445 113.445 109.835 3.610 25961 7648 1 17 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.988 -1.916 25961 7649 1 17 . 1 1 34 34 GLY H H 34 8.698 8.698 8.612 0.086 25961 7650 1 17 . 1 1 35 35 SER N N 35 113.837 113.837 117.200 -3.363 25961 7651 1 17 . 1 1 35 35 SER HA H 35 4.264 4.264 4.675 -0.411 25961 7652 1 17 . 1 1 35 35 SER CA C 35 57.651 57.651 57.445 0.206 25961 7653 1 17 . 1 1 35 35 SER CB C 35 63.056 63.056 64.177 -1.121 25961 7654 1 17 . 1 1 35 35 SER H H 35 8.039 8.039 7.895 0.144 25961 7655 1 17 . 1 1 36 36 ASN N N 36 119.749 119.749 122.498 -2.749 25961 7656 1 17 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.516 0.068 25961 7657 1 17 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.540 -1.759 25961 7658 1 17 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.789 -0.603 25961 7659 1 17 . 1 1 36 36 ASN H H 36 8.767 8.767 9.017 -0.250 25961 7660 1 17 . 1 1 37 37 GLY N N 37 110.628 110.628 103.385 7.243 25961 7661 1 17 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.057 -0.472 25961 7662 1 17 . 1 1 37 37 GLY H H 37 8.496 8.496 7.821 0.675 25961 7663 1 17 . 1 1 38 38 GLY N N 38 108.654 108.654 109.265 -0.611 25961 7664 1 17 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.468 -1.368 25961 7665 1 17 . 1 1 38 38 GLY H H 38 7.955 7.955 7.910 0.045 25961 7666 1 17 . 1 1 39 39 ALA N N 39 123.326 123.326 125.151 -1.825 25961 7667 1 17 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.326 -0.115 25961 7668 1 17 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.635 -0.797 25961 7669 1 17 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.236 -1.507 25961 7670 1 17 . 1 1 39 39 ALA H H 39 8.028 8.028 7.690 0.338 25961 7671 1 17 . 1 1 40 40 ASP N N 40 119.573 119.573 120.437 -0.864 25961 7672 1 17 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.542 -0.155 25961 7673 1 17 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.352 -0.359 25961 7674 1 17 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.654 -1.027 25961 7675 1 17 . 1 1 40 40 ASP H H 40 8.261 8.261 8.399 -0.138 25961 7676 1 17 . 1 1 41 41 LEU N N 41 123.899 123.899 123.077 0.822 25961 7677 1 17 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.416 0.026 25961 7678 1 17 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.524 -2.303 25961 7679 1 17 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.774 -2.765 25961 7680 1 17 . 1 1 41 41 LEU H H 41 8.663 8.663 8.021 0.642 25961 7681 1 17 . 1 1 42 42 MET N N 42 119.684 119.684 118.708 0.976 25961 7682 1 17 . 1 1 42 42 MET HA H 42 4.730 4.730 4.701 0.029 25961 7683 1 17 . 1 1 42 42 MET CA C 42 54.695 54.695 54.725 -0.030 25961 7684 1 17 . 1 1 42 42 MET CB C 42 32.194 32.194 32.484 -0.291 25961 7685 1 17 . 1 1 42 42 MET H H 42 8.553 8.553 8.131 0.422 25961 7686 1 17 . 1 1 43 43 GLY N N 43 113.052 113.052 113.772 -0.720 25961 7687 1 17 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.340 -2.962 25961 7688 1 17 . 1 1 43 43 GLY H H 43 8.618 8.618 8.622 -0.004 25961 7689 1 17 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.473 0.247 25961 7690 1 17 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.487 -3.256 25961 7691 1 17 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.501 0.452 25961 7692 1 17 . 1 1 45 45 ALA N N 45 120.693 120.693 121.559 -0.866 25961 7693 1 17 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.301 -0.317 25961 7694 1 17 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.653 -0.849 25961 7695 1 17 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.529 -0.562 25961 7696 1 17 . 1 1 45 45 ALA H H 45 7.524 7.524 8.235 -0.711 25961 7697 1 17 . 1 1 46 46 PHE N N 46 122.306 122.306 117.169 5.137 25961 7698 1 17 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.399 -0.437 25961 7699 1 17 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.090 1.236 25961 7700 1 17 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.967 -0.347 25961 7701 1 17 . 1 1 46 46 PHE H H 46 8.603 8.603 7.763 0.840 25961 7702 1 17 . 1 1 47 47 ALA N N 47 123.253 123.253 121.958 1.295 25961 7703 1 17 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.102 -0.014 25961 7704 1 17 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.591 -0.640 25961 7705 1 17 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.179 -0.532 25961 7706 1 17 . 1 1 47 47 ALA H H 47 9.199 9.199 7.595 1.604 25961 7707 1 17 . 1 1 48 48 ALA N N 48 117.571 117.571 118.845 -1.274 25961 7708 1 17 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.262 0.041 25961 7709 1 17 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.001 -0.314 25961 7710 1 17 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.025 -1.253 25961 7711 1 17 . 1 1 48 48 ALA H H 48 7.262 7.262 7.910 -0.648 25961 7712 1 17 . 1 1 49 49 GLY N N 49 103.229 103.229 106.013 -2.784 25961 7713 1 17 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.564 -0.945 25961 7714 1 17 . 1 1 49 49 GLY H H 49 7.461 7.461 7.583 -0.122 25961 7715 1 17 . 1 1 50 50 LEU N N 50 120.470 120.470 121.733 -1.263 25961 7716 1 17 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.108 -0.590 25961 7717 1 17 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.809 -1.397 25961 7718 1 17 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.158 -0.203 25961 7719 1 17 . 1 1 50 50 LEU H H 50 7.224 7.224 7.667 -0.443 25961 7720 1 17 . 1 1 51 51 ARG N N 51 119.645 119.645 124.016 -4.371 25961 7721 1 17 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.111 -1.619 25961 7722 1 17 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.300 -0.484 25961 7723 1 17 . 1 1 51 51 ARG H H 51 8.678 8.678 8.103 0.575 25961 7724 1 17 . 1 1 52 52 VAL N N 52 119.995 119.995 118.327 1.668 25961 7725 1 17 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.915 -0.692 25961 7726 1 17 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.802 1.416 25961 7727 1 17 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.652 -1.503 25961 7728 1 17 . 1 1 52 52 VAL H H 52 8.482 8.482 8.397 0.085 25961 7729 1 17 . 1 1 53 53 GLY N N 53 117.052 117.052 115.136 1.916 25961 7730 1 17 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.712 -1.287 25961 7731 1 17 . 1 1 53 53 GLY H H 53 9.122 9.122 8.701 0.421 25961 7732 1 17 . 1 1 54 54 ASP N N 54 124.203 124.203 122.944 1.259 25961 7733 1 17 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.905 -0.072 25961 7734 1 17 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.391 0.343 25961 7735 1 17 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.635 -1.356 25961 7736 1 17 . 1 1 54 54 ASP H H 54 7.848 7.848 7.674 0.174 25961 7737 1 17 . 1 1 55 55 GLN N N 55 121.703 121.703 123.720 -2.017 25961 7738 1 17 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.371 0.496 25961 7739 1 17 . 1 1 55 55 GLN CA C 55 53.526 53.526 56.049 -2.523 25961 7740 1 17 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.550 -0.519 25961 7741 1 17 . 1 1 55 55 GLN H H 55 9.158 9.158 8.170 0.988 25961 7742 1 17 . 1 1 56 56 LEU N N 56 124.733 124.733 124.330 0.403 25961 7743 1 17 . 1 1 56 56 LEU HA H 56 4.187 4.187 3.978 0.209 25961 7744 1 17 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.251 0.944 25961 7745 1 17 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.935 0.078 25961 7746 1 17 . 1 1 56 56 LEU H H 56 8.770 8.770 8.631 0.139 25961 7747 1 17 . 1 1 57 57 VAL N N 57 123.383 123.383 119.152 4.231 25961 7748 1 17 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.406 -0.098 25961 7749 1 17 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.849 1.294 25961 7750 1 17 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.423 -0.788 25961 7751 1 17 . 1 1 57 57 VAL H H 57 8.889 8.889 7.794 1.095 25961 7752 1 17 . 1 1 58 58 ARG N N 58 118.094 118.094 120.208 -2.114 25961 7753 1 17 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.961 1.377 25961 7754 1 17 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.393 -3.181 25961 7755 1 17 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.015 5.598 25961 7756 1 17 . 1 1 58 58 ARG H H 58 8.531 8.531 7.539 0.992 25961 7757 1 17 . 1 1 59 59 PHE N N 59 123.332 123.332 117.069 6.263 25961 7758 1 17 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.565 0.370 25961 7759 1 17 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.440 0.416 25961 7760 1 17 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.347 0.624 25961 7761 1 17 . 1 1 59 59 PHE H H 59 9.295 9.295 7.601 1.694 25961 7762 1 17 . 1 1 60 60 ALA N N 60 127.537 127.537 126.462 1.075 25961 7763 1 17 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.054 -0.468 25961 7764 1 17 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.200 0.174 25961 7765 1 17 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.628 -2.155 25961 7766 1 17 . 1 1 60 60 ALA H H 60 8.356 8.356 7.713 0.643 25961 7767 1 17 . 1 1 61 61 GLY N N 61 103.058 103.058 111.157 -8.099 25961 7768 1 17 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.783 -0.996 25961 7769 1 17 . 1 1 61 61 GLY H H 61 9.178 9.178 7.973 1.205 25961 7770 1 17 . 1 1 62 62 TYR N N 62 120.218 120.218 116.854 3.364 25961 7771 1 17 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.177 0.453 25961 7772 1 17 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.305 -1.728 25961 7773 1 17 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.053 3.840 25961 7774 1 17 . 1 1 62 62 TYR H H 62 7.888 7.888 7.594 0.294 25961 7775 1 17 . 1 1 63 63 THR N N 63 120.933 120.933 112.079 8.854 25961 7776 1 17 . 1 1 63 63 THR HA H 63 4.479 4.479 4.809 -0.330 25961 7777 1 17 . 1 1 63 63 THR CA C 63 62.851 62.851 60.296 2.555 25961 7778 1 17 . 1 1 63 63 THR CB C 63 67.848 67.848 71.851 -4.003 25961 7779 1 17 . 1 1 63 63 THR H H 63 9.108 9.108 7.663 1.445 25961 7780 1 17 . 1 1 64 64 VAL N N 64 121.039 121.039 123.811 -2.772 25961 7781 1 17 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.422 0.177 25961 7782 1 17 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.021 -2.154 25961 7783 1 17 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.280 -2.276 25961 7784 1 17 . 1 1 64 64 VAL H H 64 7.782 7.782 8.503 -0.721 25961 7785 1 17 . 1 1 65 65 THR N N 65 114.373 114.373 118.780 -4.407 25961 7786 1 17 . 1 1 65 65 THR HA H 65 4.452 4.452 4.329 0.123 25961 7787 1 17 . 1 1 65 65 THR CA C 65 60.536 60.536 63.827 -3.291 25961 7788 1 17 . 1 1 65 65 THR CB C 65 69.037 69.037 69.213 -0.176 25961 7789 1 17 . 1 1 65 65 THR H H 65 9.053 9.053 8.345 0.708 25961 7790 1 17 . 1 1 66 66 GLU N N 66 115.766 115.766 117.956 -2.190 25961 7791 1 17 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.457 0.106 25961 7792 1 17 . 1 1 66 66 GLU CA C 66 53.387 53.387 56.059 -2.672 25961 7793 1 17 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.416 1.149 25961 7794 1 17 . 1 1 66 66 GLU H H 66 7.345 7.345 7.627 -0.282 25961 7795 1 17 . 1 1 67 67 LEU N N 67 124.674 124.674 118.411 6.263 25961 7796 1 17 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.486 -0.552 25961 7797 1 17 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.858 -0.324 25961 7798 1 17 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.233 0.820 25961 7799 1 17 . 1 1 67 67 LEU H H 67 8.906 8.906 8.495 0.411 25961 7800 1 17 . 1 1 68 68 ALA N N 68 120.493 120.493 121.568 -1.075 25961 7801 1 17 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.943 0.193 25961 7802 1 17 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.016 -0.342 25961 7803 1 17 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.928 -1.407 25961 7804 1 17 . 1 1 68 68 ALA H H 68 9.022 9.022 8.368 0.654 25961 7805 1 17 . 1 1 69 69 ALA N N 69 119.695 119.695 121.378 -1.683 25961 7806 1 17 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.152 0.010 25961 7807 1 17 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.351 -0.331 25961 7808 1 17 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.528 -0.865 25961 7809 1 17 . 1 1 69 69 ALA H H 69 7.258 7.258 7.566 -0.308 25961 7810 1 17 . 1 1 70 70 PHE N N 70 119.274 119.274 119.466 -0.192 25961 7811 1 17 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.143 -0.184 25961 7812 1 17 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.349 -0.389 25961 7813 1 17 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.614 -1.182 25961 7814 1 17 . 1 1 70 70 PHE H H 70 7.769 7.769 7.978 -0.209 25961 7815 1 17 . 1 1 71 71 ASN N N 71 117.363 117.363 117.880 -0.517 25961 7816 1 17 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.537 -0.435 25961 7817 1 17 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.480 -2.783 25961 7818 1 17 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.758 -2.685 25961 7819 1 17 . 1 1 71 71 ASN H H 71 8.801 8.801 8.428 0.373 25961 7820 1 17 . 1 1 72 72 THR N N 72 119.746 119.746 116.196 3.550 25961 7821 1 17 . 1 1 72 72 THR HA H 72 4.220 4.220 4.102 0.118 25961 7822 1 17 . 1 1 72 72 THR CA C 72 65.927 65.927 66.314 -0.387 25961 7823 1 17 . 1 1 72 72 THR CB C 72 67.600 67.600 68.746 -1.146 25961 7824 1 17 . 1 1 72 72 THR H H 72 8.109 8.109 7.457 0.652 25961 7825 1 17 . 1 1 73 73 VAL N N 73 123.156 123.156 121.706 1.450 25961 7826 1 17 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.701 -0.246 25961 7827 1 17 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.292 -0.136 25961 7828 1 17 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.922 -0.586 25961 7829 1 17 . 1 1 73 73 VAL H H 73 7.744 7.744 7.281 0.463 25961 7830 1 17 . 1 1 74 74 VAL N N 74 120.420 120.420 120.583 -0.163 25961 7831 1 17 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.577 -0.211 25961 7832 1 17 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.050 0.548 25961 7833 1 17 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.926 -0.441 25961 7834 1 17 . 1 1 74 74 VAL H H 74 8.154 8.154 8.250 -0.096 25961 7835 1 17 . 1 1 75 75 ALA N N 75 120.206 120.206 122.458 -2.252 25961 7836 1 17 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.040 -0.045 25961 7837 1 17 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.090 -1.091 25961 7838 1 17 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.423 -1.459 25961 7839 1 17 . 1 1 75 75 ALA H H 75 7.788 7.788 7.700 0.088 25961 7840 1 17 . 1 1 76 76 ARG N N 76 114.701 114.701 115.858 -1.157 25961 7841 1 17 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.209 -0.124 25961 7842 1 17 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.788 -0.806 25961 7843 1 17 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.099 0.585 25961 7844 1 17 . 1 1 76 76 ARG H H 76 7.705 7.705 7.609 0.096 25961 7845 1 17 . 1 1 77 77 HIS N N 77 112.695 112.695 118.596 -5.901 25961 7846 1 17 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.496 0.314 25961 7847 1 17 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.380 -0.219 25961 7848 1 17 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.290 0.743 25961 7849 1 17 . 1 1 77 77 HIS H H 77 8.123 8.123 8.023 0.100 25961 7850 1 17 . 1 1 78 78 VAL N N 78 119.219 119.219 121.487 -2.268 25961 7851 1 17 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.843 0.050 25961 7852 1 17 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.680 -1.115 25961 7853 1 17 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.408 -1.280 25961 7854 1 17 . 1 1 78 78 VAL H H 78 8.034 8.034 8.059 -0.025 25961 7855 1 17 . 1 1 79 79 ARG N N 79 126.908 126.908 125.878 1.030 25961 7856 1 17 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.623 -1.262 25961 7857 1 17 . 1 1 79 79 ARG CB C 79 30.191 30.191 34.206 -4.015 25961 7858 1 17 . 1 1 79 79 ARG H H 79 7.023 7.023 8.438 -1.415 25961 7859 1 17 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.454 -0.429 25961 7860 1 17 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.500 0.070 25961 7861 1 17 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.254 -0.042 25961 7862 1 17 . 1 1 81 81 SER N N 81 115.039 115.039 116.884 -1.845 25961 7863 1 17 . 1 1 81 81 SER HA H 81 4.047 4.047 4.014 0.033 25961 7864 1 17 . 1 1 81 81 SER CA C 81 60.713 60.713 58.981 1.732 25961 7865 1 17 . 1 1 81 81 SER H H 81 8.210 8.210 8.569 -0.359 25961 7866 1 17 . 1 1 82 82 ALA N N 82 123.546 123.546 123.676 -0.130 25961 7867 1 17 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.496 -0.150 25961 7868 1 17 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.223 0.283 25961 7869 1 17 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.542 -0.447 25961 7870 1 17 . 1 1 82 82 ALA H H 82 7.770 7.770 7.435 0.335 25961 7871 1 17 . 1 1 83 83 SER N N 83 116.753 116.753 119.346 -2.593 25961 7872 1 17 . 1 1 83 83 SER HA H 83 5.129 5.129 4.831 0.298 25961 7873 1 17 . 1 1 83 83 SER CA C 83 56.582 56.582 58.497 -1.915 25961 7874 1 17 . 1 1 83 83 SER CB C 83 62.554 62.554 64.359 -1.805 25961 7875 1 17 . 1 1 83 83 SER H H 83 8.524 8.524 8.465 0.059 25961 7876 1 17 . 1 1 84 84 ILE N N 84 126.985 126.985 124.042 2.943 25961 7877 1 17 . 1 1 84 84 ILE CA C 84 54.786 54.786 58.268 -3.482 25961 7878 1 17 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.682 -3.258 25961 7879 1 17 . 1 1 84 84 ILE H H 84 9.599 9.599 8.288 1.311 25961 7880 1 17 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.527 0.418 25961 7881 1 17 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.637 -1.083 25961 7882 1 17 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.354 0.073 25961 7883 1 17 . 1 1 86 86 VAL N N 86 123.811 123.811 125.877 -2.066 25961 7884 1 17 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.337 0.512 25961 7885 1 17 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.347 -0.575 25961 7886 1 17 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.997 -0.353 25961 7887 1 17 . 1 1 86 86 VAL H H 86 9.033 9.033 8.307 0.726 25961 7888 1 17 . 1 1 87 87 VAL N N 87 127.839 127.839 123.465 4.374 25961 7889 1 17 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.247 0.725 25961 7890 1 17 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.902 -2.209 25961 7891 1 17 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.796 0.622 25961 7892 1 17 . 1 1 87 87 VAL H H 87 9.132 9.132 8.472 0.660 25961 7893 1 17 . 1 1 88 88 PHE N N 88 127.301 127.301 128.104 -0.803 25961 7894 1 17 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.356 0.262 25961 7895 1 17 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.617 -2.406 25961 7896 1 17 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.542 -2.540 25961 7897 1 17 . 1 1 88 88 PHE H H 88 9.248 9.248 8.315 0.933 25961 7898 1 17 . 1 1 89 89 SER N N 89 113.734 113.734 114.920 -1.186 25961 7899 1 17 . 1 1 89 89 SER HA H 89 5.336 5.336 5.210 0.126 25961 7900 1 17 . 1 1 89 89 SER CA C 89 54.452 54.452 57.084 -2.632 25961 7901 1 17 . 1 1 89 89 SER CB C 89 64.474 64.474 66.325 -1.851 25961 7902 1 17 . 1 1 89 89 SER H H 89 9.689 9.689 8.284 1.405 25961 7903 1 17 . 1 1 90 90 ARG N N 90 128.114 128.114 123.748 4.366 25961 7904 1 17 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.583 0.164 25961 7905 1 17 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.639 -1.517 25961 7906 1 17 . 1 1 90 90 ARG CB C 90 32.336 32.336 32.031 0.305 25961 7907 1 17 . 1 1 90 90 ARG H H 90 8.561 8.561 8.110 0.451 25961 7908 1 17 . 1 1 91 91 ASP N N 91 129.790 129.790 124.224 5.566 25961 7909 1 17 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.435 -0.166 25961 7910 1 17 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.421 -0.920 25961 7911 1 17 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.990 0.091 25961 7912 1 17 . 1 1 91 91 ASP H H 91 9.461 9.461 9.025 0.436 25961 7913 1 17 . 1 1 92 92 GLY N N 92 102.404 102.404 102.077 0.327 25961 7914 1 17 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.931 -0.626 25961 7915 1 17 . 1 1 92 92 GLY H H 92 8.391 8.391 8.190 0.201 25961 7916 1 17 . 1 1 93 93 VAL N N 93 123.090 123.090 121.378 1.712 25961 7917 1 17 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.881 0.121 25961 7918 1 17 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.499 -2.233 25961 7919 1 17 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.654 -0.836 25961 7920 1 17 . 1 1 93 93 VAL H H 93 7.682 7.682 7.305 0.377 25961 7921 1 17 . 1 1 94 94 VAL N N 94 128.414 128.414 127.580 0.834 25961 7922 1 17 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.004 0.130 25961 7923 1 17 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.110 1.230 25961 7924 1 17 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.766 -2.650 25961 7925 1 17 . 1 1 94 94 VAL H H 94 8.400 8.400 8.290 0.110 25961 7926 1 17 . 1 1 95 95 MET N N 95 129.196 129.196 129.208 -0.012 25961 7927 1 17 . 1 1 95 95 MET HA H 95 4.352 4.352 4.929 -0.577 25961 7928 1 17 . 1 1 95 95 MET CA C 95 53.674 53.674 54.355 -0.681 25961 7929 1 17 . 1 1 95 95 MET CB C 95 36.104 36.104 36.938 -0.834 25961 7930 1 17 . 1 1 95 95 MET H H 95 9.100 9.100 8.402 0.698 25961 7931 1 17 . 1 1 96 96 SER N N 96 111.540 111.540 118.223 -6.683 25961 7932 1 17 . 1 1 96 96 SER HA H 96 5.469 5.469 5.026 0.443 25961 7933 1 17 . 1 1 96 96 SER CA C 96 55.830 55.830 57.280 -1.450 25961 7934 1 17 . 1 1 96 96 SER CB C 96 65.471 65.471 64.675 0.796 25961 7935 1 17 . 1 1 96 96 SER H H 96 8.004 8.004 8.397 -0.393 25961 7936 1 17 . 1 1 97 97 ALA N N 97 124.079 124.079 129.248 -5.169 25961 7937 1 17 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.730 0.058 25961 7938 1 17 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.989 -1.590 25961 7939 1 17 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.923 0.621 25961 7940 1 17 . 1 1 97 97 ALA H H 97 9.145 9.145 8.336 0.809 25961 7941 1 17 . 1 1 98 98 THR N N 98 117.342 117.342 118.086 -0.744 25961 7942 1 17 . 1 1 98 98 THR HA H 98 4.823 4.823 4.559 0.264 25961 7943 1 17 . 1 1 98 98 THR CA C 98 61.053 61.053 62.029 -0.976 25961 7944 1 17 . 1 1 98 98 THR CB C 98 69.913 69.913 69.108 0.805 25961 7945 1 17 . 1 1 98 98 THR H H 98 8.754 8.754 8.386 0.368 25961 7946 1 17 . 1 1 99 99 ILE N N 99 125.689 125.689 123.711 1.978 25961 7947 1 17 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.638 -0.527 25961 7948 1 17 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.096 -0.727 25961 7949 1 17 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.368 -0.677 25961 7950 1 17 . 1 1 99 99 ILE H H 99 8.868 8.868 8.107 0.761 25961 7951 1 17 . 1 1 100 100 VAL N N 100 129.871 129.871 125.953 3.918 25961 7952 1 17 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.201 0.465 25961 7953 1 17 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.957 -1.090 25961 7954 1 17 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.723 -2.113 25961 7955 1 17 . 1 1 100 100 VAL H H 100 8.818 8.818 8.628 0.190 25961 7956 1 17 . 1 1 101 101 VAL N N 101 128.299 128.299 123.291 5.008 25961 7957 1 17 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.448 -1.079 25961 7958 1 17 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.264 4.062 25961 7959 1 17 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.423 -0.449 25961 7960 1 17 . 1 1 101 101 VAL H H 101 8.795 8.795 7.659 1.136 25961 7961 1 17 . 1 1 102 102 GLY N N 102 115.466 115.466 114.178 1.288 25961 7962 1 17 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.175 -0.495 25961 7963 1 17 . 1 1 102 102 GLY H H 102 8.393 8.393 8.477 -0.084 25961 7964 1 17 . 1 1 103 103 GLU N N 103 119.459 119.459 125.035 -5.576 25961 7965 1 17 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.421 0.534 25961 7966 1 17 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.739 -2.993 25961 7967 1 17 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.385 1.816 25961 7968 1 17 . 1 1 103 103 GLU H H 103 8.386 8.386 8.405 -0.019 25961 7969 1 17 . 1 1 104 104 LEU N N 104 123.881 123.881 118.671 5.210 25961 7970 1 17 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.617 0.083 25961 7971 1 17 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.519 -0.952 25961 7972 1 17 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.511 2.546 25961 7973 1 17 . 1 1 104 104 LEU H H 104 8.735 8.735 7.847 0.888 25961 7974 1 18 . 1 1 2 2 LEU N N 2 122.611 122.611 118.470 4.141 25961 7975 1 18 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.763 -0.371 25961 7976 1 18 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.129 0.203 25961 7977 1 18 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.169 -3.852 25961 7978 1 18 . 1 1 2 2 LEU H H 2 8.535 8.535 8.263 0.272 25961 7979 1 18 . 1 1 3 3 THR N N 3 112.475 112.475 114.997 -2.522 25961 7980 1 18 . 1 1 3 3 THR HA H 3 4.777 4.777 4.669 0.108 25961 7981 1 18 . 1 1 3 3 THR CA C 3 59.259 59.259 60.864 -1.605 25961 7982 1 18 . 1 1 3 3 THR CB C 3 70.185 70.185 71.075 -0.890 25961 7983 1 18 . 1 1 3 3 THR H H 3 7.903 7.903 8.170 -0.267 25961 7984 1 18 . 1 1 4 4 ARG N N 4 120.183 120.183 121.939 -1.756 25961 7985 1 18 . 1 1 4 4 ARG H H 4 8.809 8.809 8.599 0.210 25961 7986 1 18 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.363 0.009 25961 7987 1 18 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.333 1.684 25961 7988 1 18 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.482 1.107 25961 7989 1 18 . 1 1 6 6 TYR N N 6 120.727 120.727 121.992 -1.265 25961 7990 1 18 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.649 -0.015 25961 7991 1 18 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.325 -1.249 25961 7992 1 18 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.354 -0.300 25961 7993 1 18 . 1 1 6 6 TYR H H 6 7.530 7.530 8.123 -0.593 25961 7994 1 18 . 1 1 7 7 LEU N N 7 126.575 126.575 120.633 5.942 25961 7995 1 18 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.559 -0.152 25961 7996 1 18 . 1 1 7 7 LEU H H 7 8.500 8.500 8.459 0.041 25961 7997 1 18 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.802 0.905 25961 7998 1 18 . 1 1 9 9 PHE N N 9 114.612 114.612 115.034 -0.422 25961 7999 1 18 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.997 0.361 25961 8000 1 18 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.580 -1.318 25961 8001 1 18 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.955 -1.501 25961 8002 1 18 . 1 1 9 9 PHE H H 9 7.102 7.102 7.485 -0.383 25961 8003 1 18 . 1 1 10 10 ARG N N 10 117.800 117.800 120.516 -2.716 25961 8004 1 18 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.682 -0.011 25961 8005 1 18 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.657 -1.258 25961 8006 1 18 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.923 0.892 25961 8007 1 18 . 1 1 10 10 ARG H H 10 8.206 8.206 8.503 -0.297 25961 8008 1 18 . 1 1 11 11 VAL N N 11 117.216 117.216 117.674 -0.458 25961 8009 1 18 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.258 -0.091 25961 8010 1 18 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.668 -1.478 25961 8011 1 18 . 1 1 11 11 VAL CB C 11 33.875 33.875 33.923 -0.048 25961 8012 1 18 . 1 1 11 11 VAL H H 11 8.601 8.601 8.314 0.287 25961 8013 1 18 . 1 1 12 12 ALA N N 12 123.025 123.025 130.435 -7.410 25961 8014 1 18 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.801 -0.221 25961 8015 1 18 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.643 -1.100 25961 8016 1 18 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.521 1.260 25961 8017 1 18 . 1 1 12 12 ALA H H 12 8.861 8.861 8.041 0.820 25961 8018 1 18 . 1 1 13 13 VAL N N 13 121.395 121.395 124.484 -3.089 25961 8019 1 18 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.031 0.520 25961 8020 1 18 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.942 -1.659 25961 8021 1 18 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.528 -0.834 25961 8022 1 18 . 1 1 13 13 VAL H H 13 8.585 8.585 8.697 -0.112 25961 8023 1 18 . 1 1 14 14 GLY N N 14 117.546 117.546 116.461 1.085 25961 8024 1 18 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.222 -1.838 25961 8025 1 18 . 1 1 14 14 GLY H H 14 8.789 8.789 8.173 0.616 25961 8026 1 18 . 1 1 15 15 ARG N N 15 120.075 120.075 120.659 -0.584 25961 8027 1 18 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.789 0.321 25961 8028 1 18 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.694 -0.801 25961 8029 1 18 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.505 0.251 25961 8030 1 18 . 1 1 15 15 ARG H H 15 8.299 8.299 8.367 -0.068 25961 8031 1 18 . 1 1 16 16 ASP N N 16 123.872 123.872 121.080 2.792 25961 8032 1 18 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.723 0.022 25961 8033 1 18 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.645 -1.274 25961 8034 1 18 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.576 -0.824 25961 8035 1 18 . 1 1 16 16 ASP H H 16 8.619 8.619 8.442 0.177 25961 8036 1 18 . 1 1 17 17 SER N N 17 114.309 114.309 113.755 0.554 25961 8037 1 18 . 1 1 17 17 SER HA H 17 4.196 4.196 4.306 -0.110 25961 8038 1 18 . 1 1 17 17 SER CA C 17 59.950 59.950 60.316 -0.366 25961 8039 1 18 . 1 1 17 17 SER CB C 17 61.825 61.825 63.568 -1.743 25961 8040 1 18 . 1 1 17 17 SER H H 17 8.624 8.624 8.222 0.402 25961 8041 1 18 . 1 1 18 18 SER N N 18 117.903 117.903 115.481 2.422 25961 8042 1 18 . 1 1 18 18 SER HA H 18 4.597 4.597 4.435 0.162 25961 8043 1 18 . 1 1 18 18 SER CA C 18 57.732 57.732 58.755 -1.023 25961 8044 1 18 . 1 1 18 18 SER CB C 18 63.470 63.470 64.365 -0.895 25961 8045 1 18 . 1 1 18 18 SER H H 18 8.385 8.385 7.772 0.613 25961 8046 1 18 . 1 1 19 19 GLY N N 19 109.883 109.883 110.971 -1.088 25961 8047 1 18 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.028 -0.857 25961 8048 1 18 . 1 1 19 19 GLY H H 19 8.214 8.214 8.183 0.031 25961 8049 1 18 . 1 1 20 20 CYS N N 20 122.167 122.167 119.083 3.084 25961 8050 1 18 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.668 -0.180 25961 8051 1 18 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.237 0.800 25961 8052 1 18 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.497 -1.812 25961 8053 1 18 . 1 1 20 20 CYS H H 20 8.286 8.286 8.413 -0.127 25961 8054 1 18 . 1 1 21 21 THR N N 21 119.387 119.387 115.208 4.179 25961 8055 1 18 . 1 1 21 21 THR HA H 21 4.764 4.764 3.948 0.816 25961 8056 1 18 . 1 1 21 21 THR CA C 21 61.953 61.953 63.736 -1.783 25961 8057 1 18 . 1 1 21 21 THR CB C 21 68.795 68.795 67.160 1.635 25961 8058 1 18 . 1 1 21 21 THR H H 21 8.626 8.626 7.917 0.709 25961 8059 1 18 . 1 1 22 22 THR N N 22 116.611 116.611 116.620 -0.009 25961 8060 1 18 . 1 1 22 22 THR HA H 22 4.513 4.513 4.750 -0.237 25961 8061 1 18 . 1 1 22 22 THR CA C 22 58.918 58.918 60.227 -1.309 25961 8062 1 18 . 1 1 22 22 THR CB C 22 71.128 71.128 70.883 0.245 25961 8063 1 18 . 1 1 22 22 THR H H 22 8.343 8.343 7.846 0.497 25961 8064 1 18 . 1 1 23 23 LEU N N 23 122.893 122.893 124.109 -1.216 25961 8065 1 18 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.094 -0.162 25961 8066 1 18 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.718 -1.230 25961 8067 1 18 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.085 -2.820 25961 8068 1 18 . 1 1 23 23 LEU H H 23 9.157 9.157 8.695 0.462 25961 8069 1 18 . 1 1 24 24 SER N N 24 116.771 116.771 114.845 1.926 25961 8070 1 18 . 1 1 24 24 SER HA H 24 5.173 5.173 4.811 0.362 25961 8071 1 18 . 1 1 24 24 SER CA C 24 55.247 55.247 57.081 -1.833 25961 8072 1 18 . 1 1 24 24 SER CB C 24 64.841 64.841 65.603 -0.762 25961 8073 1 18 . 1 1 24 24 SER H H 24 8.656 8.656 8.011 0.645 25961 8074 1 18 . 1 1 25 25 ILE N N 25 122.747 122.747 122.244 0.503 25961 8075 1 18 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.872 -0.841 25961 8076 1 18 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.591 2.679 25961 8077 1 18 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.471 -2.821 25961 8078 1 18 . 1 1 25 25 ILE H H 25 9.023 9.023 8.502 0.521 25961 8079 1 18 . 1 1 26 26 GLN N N 26 129.779 129.779 125.634 4.145 25961 8080 1 18 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.461 -0.032 25961 8081 1 18 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.581 -1.994 25961 8082 1 18 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.948 0.328 25961 8083 1 18 . 1 1 26 26 GLN H H 26 9.093 9.093 8.502 0.591 25961 8084 1 18 . 1 1 27 27 GLU N N 27 118.722 118.722 118.024 0.698 25961 8085 1 18 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.852 0.112 25961 8086 1 18 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.033 -0.011 25961 8087 1 18 . 1 1 27 27 GLU H H 27 7.479 7.479 8.119 -0.640 25961 8088 1 18 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.377 0.066 25961 8089 1 18 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.885 0.270 25961 8090 1 18 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.609 1.071 25961 8091 1 18 . 1 1 29 29 THR N N 29 124.459 124.459 117.954 6.505 25961 8092 1 18 . 1 1 29 29 THR HA H 29 4.183 4.183 4.626 -0.443 25961 8093 1 18 . 1 1 29 29 THR CA C 29 62.474 62.474 63.231 -0.757 25961 8094 1 18 . 1 1 29 29 THR CB C 29 68.811 68.811 69.063 -0.252 25961 8095 1 18 . 1 1 29 29 THR H H 29 8.009 8.009 8.558 -0.549 25961 8096 1 18 . 1 1 30 30 GLN N N 30 130.053 130.053 119.682 10.371 25961 8097 1 18 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.231 -0.709 25961 8098 1 18 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.725 1.161 25961 8099 1 18 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.329 -1.024 25961 8100 1 18 . 1 1 30 30 GLN H H 30 9.321 9.321 8.596 0.725 25961 8101 1 18 . 1 1 31 31 THR N N 31 111.234 111.234 107.923 3.311 25961 8102 1 18 . 1 1 31 31 THR HA H 31 5.509 5.509 4.439 1.070 25961 8103 1 18 . 1 1 31 31 THR CA C 31 58.798 58.798 61.578 -2.780 25961 8104 1 18 . 1 1 31 31 THR CB C 31 71.374 71.374 68.479 2.895 25961 8105 1 18 . 1 1 31 31 THR H H 31 7.630 7.630 7.781 -0.151 25961 8106 1 18 . 1 1 32 32 TYR N N 32 121.998 121.998 120.998 1.000 25961 8107 1 18 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.716 0.087 25961 8108 1 18 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.768 -2.969 25961 8109 1 18 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.093 -2.375 25961 8110 1 18 . 1 1 32 32 TYR H H 32 9.359 9.359 7.477 1.882 25961 8111 1 18 . 1 1 33 33 THR N N 33 114.039 114.039 113.114 0.925 25961 8112 1 18 . 1 1 33 33 THR HA H 33 4.390 4.390 4.578 -0.188 25961 8113 1 18 . 1 1 33 33 THR CA C 33 59.896 59.896 61.451 -1.555 25961 8114 1 18 . 1 1 33 33 THR CB C 33 69.135 69.135 71.626 -2.491 25961 8115 1 18 . 1 1 33 33 THR H H 33 7.985 7.985 8.136 -0.151 25961 8116 1 18 . 1 1 34 34 GLY N N 34 113.445 113.445 109.145 4.300 25961 8117 1 18 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.888 -1.815 25961 8118 1 18 . 1 1 34 34 GLY H H 34 8.698 8.698 8.474 0.224 25961 8119 1 18 . 1 1 35 35 SER N N 35 113.837 113.837 117.066 -3.229 25961 8120 1 18 . 1 1 35 35 SER HA H 35 4.264 4.264 4.529 -0.265 25961 8121 1 18 . 1 1 35 35 SER CA C 35 57.651 57.651 56.834 0.817 25961 8122 1 18 . 1 1 35 35 SER CB C 35 63.056 63.056 63.653 -0.597 25961 8123 1 18 . 1 1 35 35 SER H H 35 8.039 8.039 7.928 0.111 25961 8124 1 18 . 1 1 36 36 ASN N N 36 119.749 119.749 123.774 -4.025 25961 8125 1 18 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.417 0.167 25961 8126 1 18 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.249 -1.468 25961 8127 1 18 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.803 -0.617 25961 8128 1 18 . 1 1 36 36 ASN H H 36 8.767 8.767 9.038 -0.271 25961 8129 1 18 . 1 1 37 37 GLY N N 37 110.628 110.628 103.441 7.187 25961 8130 1 18 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.825 -1.240 25961 8131 1 18 . 1 1 37 37 GLY H H 37 8.496 8.496 8.193 0.303 25961 8132 1 18 . 1 1 38 38 GLY N N 38 108.654 108.654 108.515 0.139 25961 8133 1 18 . 1 1 38 38 GLY CA C 38 44.100 44.100 46.028 -1.928 25961 8134 1 18 . 1 1 38 38 GLY H H 38 7.955 7.955 8.075 -0.120 25961 8135 1 18 . 1 1 39 39 ALA N N 39 123.326 123.326 122.757 0.569 25961 8136 1 18 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.831 -0.620 25961 8137 1 18 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.582 -0.744 25961 8138 1 18 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.344 -2.615 25961 8139 1 18 . 1 1 39 39 ALA H H 39 8.028 8.028 7.906 0.122 25961 8140 1 18 . 1 1 40 40 ASP N N 40 119.573 119.573 119.203 0.370 25961 8141 1 18 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.567 -0.180 25961 8142 1 18 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.415 -0.421 25961 8143 1 18 . 1 1 40 40 ASP CB C 40 39.627 39.627 41.422 -1.795 25961 8144 1 18 . 1 1 40 40 ASP H H 40 8.261 8.261 8.394 -0.133 25961 8145 1 18 . 1 1 41 41 LEU N N 41 123.899 123.899 121.970 1.929 25961 8146 1 18 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.344 0.098 25961 8147 1 18 . 1 1 41 41 LEU CA C 41 52.221 52.221 55.096 -2.875 25961 8148 1 18 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.430 -2.421 25961 8149 1 18 . 1 1 41 41 LEU H H 41 8.663 8.663 8.109 0.554 25961 8150 1 18 . 1 1 42 42 MET N N 42 119.684 119.684 119.863 -0.179 25961 8151 1 18 . 1 1 42 42 MET HA H 42 4.730 4.730 4.642 0.088 25961 8152 1 18 . 1 1 42 42 MET CA C 42 54.695 54.695 55.234 -0.539 25961 8153 1 18 . 1 1 42 42 MET CB C 42 32.194 32.194 33.017 -0.823 25961 8154 1 18 . 1 1 42 42 MET H H 42 8.553 8.553 8.153 0.400 25961 8155 1 18 . 1 1 43 43 GLY N N 43 113.052 113.052 112.646 0.406 25961 8156 1 18 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.322 -2.943 25961 8157 1 18 . 1 1 43 43 GLY H H 43 8.618 8.618 8.573 0.045 25961 8158 1 18 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.409 0.311 25961 8159 1 18 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.706 -3.475 25961 8160 1 18 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.561 0.392 25961 8161 1 18 . 1 1 45 45 ALA N N 45 120.693 120.693 120.119 0.574 25961 8162 1 18 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.165 -0.181 25961 8163 1 18 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.416 -0.612 25961 8164 1 18 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.221 -0.254 25961 8165 1 18 . 1 1 45 45 ALA H H 45 7.524 7.524 8.353 -0.829 25961 8166 1 18 . 1 1 46 46 PHE N N 46 122.306 122.306 116.222 6.084 25961 8167 1 18 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.478 -0.516 25961 8168 1 18 . 1 1 46 46 PHE CA C 46 60.326 60.326 56.956 3.370 25961 8169 1 18 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.656 -1.036 25961 8170 1 18 . 1 1 46 46 PHE H H 46 8.603 8.603 7.529 1.074 25961 8171 1 18 . 1 1 47 47 ALA N N 47 123.253 123.253 122.219 1.034 25961 8172 1 18 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.062 0.026 25961 8173 1 18 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.362 -0.411 25961 8174 1 18 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.521 -0.874 25961 8175 1 18 . 1 1 47 47 ALA H H 47 9.199 9.199 7.574 1.625 25961 8176 1 18 . 1 1 48 48 ALA N N 48 117.571 117.571 117.737 -0.166 25961 8177 1 18 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.293 0.010 25961 8178 1 18 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.695 -0.008 25961 8179 1 18 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.077 -1.305 25961 8180 1 18 . 1 1 48 48 ALA H H 48 7.262 7.262 7.711 -0.449 25961 8181 1 18 . 1 1 49 49 GLY N N 49 103.229 103.229 107.924 -4.695 25961 8182 1 18 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.824 -1.205 25961 8183 1 18 . 1 1 49 49 GLY H H 49 7.461 7.461 7.547 -0.086 25961 8184 1 18 . 1 1 50 50 LEU N N 50 120.470 120.470 122.299 -1.829 25961 8185 1 18 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.073 -0.555 25961 8186 1 18 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.370 -0.958 25961 8187 1 18 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.918 0.037 25961 8188 1 18 . 1 1 50 50 LEU H H 50 7.224 7.224 7.498 -0.274 25961 8189 1 18 . 1 1 51 51 ARG N N 51 119.645 119.645 123.146 -3.501 25961 8190 1 18 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.050 -0.559 25961 8191 1 18 . 1 1 51 51 ARG CB C 51 33.816 33.816 31.603 2.213 25961 8192 1 18 . 1 1 51 51 ARG H H 51 8.678 8.678 7.754 0.924 25961 8193 1 18 . 1 1 52 52 VAL N N 52 119.995 119.995 120.986 -0.991 25961 8194 1 18 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.717 -0.494 25961 8195 1 18 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.669 0.549 25961 8196 1 18 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.837 -1.688 25961 8197 1 18 . 1 1 52 52 VAL H H 52 8.482 8.482 8.256 0.226 25961 8198 1 18 . 1 1 53 53 GLY N N 53 117.052 117.052 117.177 -0.125 25961 8199 1 18 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.987 -1.562 25961 8200 1 18 . 1 1 53 53 GLY H H 53 9.122 9.122 8.411 0.711 25961 8201 1 18 . 1 1 54 54 ASP N N 54 124.203 124.203 124.345 -0.142 25961 8202 1 18 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.673 0.160 25961 8203 1 18 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.628 1.106 25961 8204 1 18 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.492 -1.213 25961 8205 1 18 . 1 1 54 54 ASP H H 54 7.848 7.848 7.927 -0.079 25961 8206 1 18 . 1 1 55 55 GLN N N 55 121.703 121.703 119.558 2.145 25961 8207 1 18 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.548 0.319 25961 8208 1 18 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.677 -2.151 25961 8209 1 18 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.519 -1.487 25961 8210 1 18 . 1 1 55 55 GLN H H 55 9.158 9.158 8.084 1.074 25961 8211 1 18 . 1 1 56 56 LEU N N 56 124.733 124.733 122.695 2.038 25961 8212 1 18 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.598 -0.411 25961 8213 1 18 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.543 1.652 25961 8214 1 18 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.655 0.358 25961 8215 1 18 . 1 1 56 56 LEU H H 56 8.770 8.770 8.593 0.177 25961 8216 1 18 . 1 1 57 57 VAL N N 57 123.383 123.383 118.876 4.507 25961 8217 1 18 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.467 -0.159 25961 8218 1 18 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.858 1.285 25961 8219 1 18 . 1 1 57 57 VAL CB C 57 32.635 32.635 34.016 -1.381 25961 8220 1 18 . 1 1 57 57 VAL H H 57 8.889 8.889 8.132 0.757 25961 8221 1 18 . 1 1 58 58 ARG N N 58 118.094 118.094 117.846 0.248 25961 8222 1 18 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.810 1.528 25961 8223 1 18 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.403 -3.191 25961 8224 1 18 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.071 6.542 25961 8225 1 18 . 1 1 58 58 ARG H H 58 8.531 8.531 7.627 0.904 25961 8226 1 18 . 1 1 59 59 PHE N N 59 123.332 123.332 116.354 6.978 25961 8227 1 18 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.606 0.329 25961 8228 1 18 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.197 0.659 25961 8229 1 18 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.972 -0.001 25961 8230 1 18 . 1 1 59 59 PHE H H 59 9.295 9.295 7.604 1.691 25961 8231 1 18 . 1 1 60 60 ALA N N 60 127.537 127.537 125.402 2.135 25961 8232 1 18 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.345 -0.758 25961 8233 1 18 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.761 -0.387 25961 8234 1 18 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.455 -2.982 25961 8235 1 18 . 1 1 60 60 ALA H H 60 8.356 8.356 8.810 -0.454 25961 8236 1 18 . 1 1 61 61 GLY N N 61 103.058 103.058 112.444 -9.386 25961 8237 1 18 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.213 -0.426 25961 8238 1 18 . 1 1 61 61 GLY H H 61 9.178 9.178 7.770 1.408 25961 8239 1 18 . 1 1 62 62 TYR N N 62 120.218 120.218 115.748 4.470 25961 8240 1 18 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.195 0.435 25961 8241 1 18 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.094 -1.517 25961 8242 1 18 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.192 3.700 25961 8243 1 18 . 1 1 62 62 TYR H H 62 7.888 7.888 7.553 0.335 25961 8244 1 18 . 1 1 63 63 THR N N 63 120.933 120.933 112.219 8.714 25961 8245 1 18 . 1 1 63 63 THR HA H 63 4.479 4.479 4.941 -0.462 25961 8246 1 18 . 1 1 63 63 THR CA C 63 62.851 62.851 60.270 2.580 25961 8247 1 18 . 1 1 63 63 THR CB C 63 67.848 67.848 71.885 -4.037 25961 8248 1 18 . 1 1 63 63 THR H H 63 9.108 9.108 7.572 1.536 25961 8249 1 18 . 1 1 64 64 VAL N N 64 121.039 121.039 124.279 -3.240 25961 8250 1 18 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.706 -0.107 25961 8251 1 18 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.570 -1.703 25961 8252 1 18 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.353 -2.349 25961 8253 1 18 . 1 1 64 64 VAL H H 64 7.782 7.782 8.379 -0.597 25961 8254 1 18 . 1 1 65 65 THR N N 65 114.373 114.373 119.253 -4.880 25961 8255 1 18 . 1 1 65 65 THR HA H 65 4.452 4.452 4.430 0.022 25961 8256 1 18 . 1 1 65 65 THR CA C 65 60.536 60.536 64.141 -3.605 25961 8257 1 18 . 1 1 65 65 THR CB C 65 69.037 69.037 69.307 -0.270 25961 8258 1 18 . 1 1 65 65 THR H H 65 9.053 9.053 8.533 0.520 25961 8259 1 18 . 1 1 66 66 GLU N N 66 115.766 115.766 117.954 -2.188 25961 8260 1 18 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.487 0.076 25961 8261 1 18 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.905 -2.518 25961 8262 1 18 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.274 1.291 25961 8263 1 18 . 1 1 66 66 GLU H H 66 7.345 7.345 7.846 -0.501 25961 8264 1 18 . 1 1 67 67 LEU N N 67 124.674 124.674 118.643 6.031 25961 8265 1 18 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.343 -0.409 25961 8266 1 18 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.693 -0.158 25961 8267 1 18 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.940 0.113 25961 8268 1 18 . 1 1 67 67 LEU H H 67 8.906 8.906 8.565 0.341 25961 8269 1 18 . 1 1 68 68 ALA N N 68 120.493 120.493 120.774 -0.281 25961 8270 1 18 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.119 0.017 25961 8271 1 18 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.834 -0.160 25961 8272 1 18 . 1 1 68 68 ALA CB C 68 16.521 16.521 18.005 -1.484 25961 8273 1 18 . 1 1 68 68 ALA H H 68 9.022 9.022 8.400 0.622 25961 8274 1 18 . 1 1 69 69 ALA N N 69 119.695 119.695 121.289 -1.594 25961 8275 1 18 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.266 -0.104 25961 8276 1 18 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.492 -0.472 25961 8277 1 18 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.816 -1.153 25961 8278 1 18 . 1 1 69 69 ALA H H 69 7.258 7.258 7.686 -0.428 25961 8279 1 18 . 1 1 70 70 PHE N N 70 119.274 119.274 119.071 0.203 25961 8280 1 18 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.156 -0.197 25961 8281 1 18 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.987 -0.027 25961 8282 1 18 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.647 -1.215 25961 8283 1 18 . 1 1 70 70 PHE H H 70 7.769 7.769 7.931 -0.162 25961 8284 1 18 . 1 1 71 71 ASN N N 71 117.363 117.363 117.448 -0.085 25961 8285 1 18 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.347 -0.245 25961 8286 1 18 . 1 1 71 71 ASN CA C 71 54.697 54.697 57.124 -2.427 25961 8287 1 18 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.624 -2.551 25961 8288 1 18 . 1 1 71 71 ASN H H 71 8.801 8.801 8.084 0.717 25961 8289 1 18 . 1 1 72 72 THR N N 72 119.746 119.746 115.256 4.490 25961 8290 1 18 . 1 1 72 72 THR HA H 72 4.220 4.220 4.102 0.118 25961 8291 1 18 . 1 1 72 72 THR CA C 72 65.927 65.927 65.488 0.439 25961 8292 1 18 . 1 1 72 72 THR CB C 72 67.600 67.600 68.324 -0.724 25961 8293 1 18 . 1 1 72 72 THR H H 72 8.109 8.109 7.538 0.571 25961 8294 1 18 . 1 1 73 73 VAL N N 73 123.156 123.156 121.852 1.304 25961 8295 1 18 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.739 -0.284 25961 8296 1 18 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.233 0.923 25961 8297 1 18 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.925 -0.589 25961 8298 1 18 . 1 1 73 73 VAL H H 73 7.744 7.744 7.329 0.415 25961 8299 1 18 . 1 1 74 74 VAL N N 74 120.420 120.420 120.082 0.338 25961 8300 1 18 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.290 0.076 25961 8301 1 18 . 1 1 74 74 VAL CA C 74 65.598 65.598 67.084 -1.486 25961 8302 1 18 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.828 -0.343 25961 8303 1 18 . 1 1 74 74 VAL H H 74 8.154 8.154 8.223 -0.069 25961 8304 1 18 . 1 1 75 75 ALA N N 75 120.206 120.206 122.741 -2.535 25961 8305 1 18 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.074 -0.079 25961 8306 1 18 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.347 -1.348 25961 8307 1 18 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.272 -1.308 25961 8308 1 18 . 1 1 75 75 ALA H H 75 7.788 7.788 7.544 0.244 25961 8309 1 18 . 1 1 76 76 ARG N N 76 114.701 114.701 116.147 -1.446 25961 8310 1 18 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.172 -0.087 25961 8311 1 18 . 1 1 76 76 ARG CA C 76 56.982 56.982 56.897 0.085 25961 8312 1 18 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.477 1.206 25961 8313 1 18 . 1 1 76 76 ARG H H 76 7.705 7.705 7.561 0.144 25961 8314 1 18 . 1 1 77 77 HIS N N 77 112.695 112.695 118.348 -5.653 25961 8315 1 18 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.499 0.311 25961 8316 1 18 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.651 -1.490 25961 8317 1 18 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.821 0.212 25961 8318 1 18 . 1 1 77 77 HIS H H 77 8.123 8.123 8.017 0.106 25961 8319 1 18 . 1 1 78 78 VAL N N 78 119.219 119.219 121.520 -2.301 25961 8320 1 18 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.800 0.093 25961 8321 1 18 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.369 -0.804 25961 8322 1 18 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.832 -0.704 25961 8323 1 18 . 1 1 78 78 VAL H H 78 8.034 8.034 8.109 -0.075 25961 8324 1 18 . 1 1 79 79 ARG N N 79 126.908 126.908 125.791 1.117 25961 8325 1 18 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.817 -1.456 25961 8326 1 18 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.602 -3.411 25961 8327 1 18 . 1 1 79 79 ARG H H 79 7.023 7.023 7.845 -0.822 25961 8328 1 18 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.532 -0.507 25961 8329 1 18 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.416 0.154 25961 8330 1 18 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.981 0.231 25961 8331 1 18 . 1 1 81 81 SER N N 81 115.039 115.039 115.637 -0.598 25961 8332 1 18 . 1 1 81 81 SER HA H 81 4.047 4.047 3.972 0.075 25961 8333 1 18 . 1 1 81 81 SER CA C 81 60.713 60.713 58.718 1.996 25961 8334 1 18 . 1 1 81 81 SER H H 81 8.210 8.210 8.479 -0.269 25961 8335 1 18 . 1 1 82 82 ALA N N 82 123.546 123.546 124.277 -0.731 25961 8336 1 18 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.439 -0.093 25961 8337 1 18 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.523 -0.017 25961 8338 1 18 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.380 -0.285 25961 8339 1 18 . 1 1 82 82 ALA H H 82 7.770 7.770 7.539 0.231 25961 8340 1 18 . 1 1 83 83 SER N N 83 116.753 116.753 120.108 -3.355 25961 8341 1 18 . 1 1 83 83 SER HA H 83 5.129 5.129 4.650 0.479 25961 8342 1 18 . 1 1 83 83 SER CA C 83 56.582 56.582 58.755 -2.173 25961 8343 1 18 . 1 1 83 83 SER CB C 83 62.554 62.554 63.984 -1.430 25961 8344 1 18 . 1 1 83 83 SER H H 83 8.524 8.524 8.493 0.031 25961 8345 1 18 . 1 1 84 84 ILE N N 84 126.985 126.985 126.061 0.924 25961 8346 1 18 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.332 -2.546 25961 8347 1 18 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.090 -2.666 25961 8348 1 18 . 1 1 84 84 ILE H H 84 9.599 9.599 8.210 1.389 25961 8349 1 18 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.545 0.400 25961 8350 1 18 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.544 -0.990 25961 8351 1 18 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.416 0.011 25961 8352 1 18 . 1 1 86 86 VAL N N 86 123.811 123.811 125.873 -2.062 25961 8353 1 18 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.370 0.479 25961 8354 1 18 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.255 -1.482 25961 8355 1 18 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.957 -0.313 25961 8356 1 18 . 1 1 86 86 VAL H H 86 9.033 9.033 8.072 0.961 25961 8357 1 18 . 1 1 87 87 VAL N N 87 127.839 127.839 125.291 2.548 25961 8358 1 18 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.416 0.556 25961 8359 1 18 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.389 -0.696 25961 8360 1 18 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.018 -0.600 25961 8361 1 18 . 1 1 87 87 VAL H H 87 9.132 9.132 8.484 0.648 25961 8362 1 18 . 1 1 88 88 PHE N N 88 127.301 127.301 126.423 0.878 25961 8363 1 18 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.656 -0.038 25961 8364 1 18 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.613 -0.402 25961 8365 1 18 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.324 -1.322 25961 8366 1 18 . 1 1 88 88 PHE H H 88 9.248 9.248 8.005 1.243 25961 8367 1 18 . 1 1 89 89 SER N N 89 113.734 113.734 114.814 -1.080 25961 8368 1 18 . 1 1 89 89 SER HA H 89 5.336 5.336 4.975 0.361 25961 8369 1 18 . 1 1 89 89 SER CA C 89 54.452 54.452 57.299 -2.847 25961 8370 1 18 . 1 1 89 89 SER CB C 89 64.474 64.474 66.146 -1.672 25961 8371 1 18 . 1 1 89 89 SER H H 89 9.689 9.689 8.287 1.401 25961 8372 1 18 . 1 1 90 90 ARG N N 90 128.114 128.114 125.698 2.416 25961 8373 1 18 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.619 0.128 25961 8374 1 18 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.401 -1.279 25961 8375 1 18 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.976 0.360 25961 8376 1 18 . 1 1 90 90 ARG H H 90 8.561 8.561 8.041 0.520 25961 8377 1 18 . 1 1 91 91 ASP N N 91 129.790 129.790 123.804 5.986 25961 8378 1 18 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.356 -0.087 25961 8379 1 18 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.169 -0.668 25961 8380 1 18 . 1 1 91 91 ASP CB C 91 39.081 39.081 40.046 -0.965 25961 8381 1 18 . 1 1 91 91 ASP H H 91 9.461 9.461 9.274 0.187 25961 8382 1 18 . 1 1 92 92 GLY N N 92 102.404 102.404 102.885 -0.481 25961 8383 1 18 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.907 -0.602 25961 8384 1 18 . 1 1 92 92 GLY H H 92 8.391 8.391 8.207 0.184 25961 8385 1 18 . 1 1 93 93 VAL N N 93 123.090 123.090 120.653 2.437 25961 8386 1 18 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.814 0.188 25961 8387 1 18 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.802 -1.536 25961 8388 1 18 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.761 -0.943 25961 8389 1 18 . 1 1 93 93 VAL H H 93 7.682 7.682 7.435 0.247 25961 8390 1 18 . 1 1 94 94 VAL N N 94 128.414 128.414 125.836 2.578 25961 8391 1 18 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.935 0.199 25961 8392 1 18 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.349 1.991 25961 8393 1 18 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.419 -2.303 25961 8394 1 18 . 1 1 94 94 VAL H H 94 8.400 8.400 8.103 0.297 25961 8395 1 18 . 1 1 95 95 MET N N 95 129.196 129.196 129.139 0.057 25961 8396 1 18 . 1 1 95 95 MET HA H 95 4.352 4.352 4.725 -0.373 25961 8397 1 18 . 1 1 95 95 MET CA C 95 53.674 53.674 54.012 -0.338 25961 8398 1 18 . 1 1 95 95 MET CB C 95 36.104 36.104 36.497 -0.393 25961 8399 1 18 . 1 1 95 95 MET H H 95 9.100 9.100 7.943 1.157 25961 8400 1 18 . 1 1 96 96 SER N N 96 111.540 111.540 117.603 -6.063 25961 8401 1 18 . 1 1 96 96 SER HA H 96 5.469 5.469 5.089 0.380 25961 8402 1 18 . 1 1 96 96 SER CA C 96 55.830 55.830 57.015 -1.185 25961 8403 1 18 . 1 1 96 96 SER CB C 96 65.471 65.471 65.351 0.120 25961 8404 1 18 . 1 1 96 96 SER H H 96 8.004 8.004 8.270 -0.266 25961 8405 1 18 . 1 1 97 97 ALA N N 97 124.079 124.079 128.787 -4.708 25961 8406 1 18 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.837 -0.049 25961 8407 1 18 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.048 -1.649 25961 8408 1 18 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.356 0.188 25961 8409 1 18 . 1 1 97 97 ALA H H 97 9.145 9.145 8.500 0.645 25961 8410 1 18 . 1 1 98 98 THR N N 98 117.342 117.342 118.506 -1.164 25961 8411 1 18 . 1 1 98 98 THR HA H 98 4.823 4.823 4.403 0.420 25961 8412 1 18 . 1 1 98 98 THR CA C 98 61.053 61.053 62.948 -1.895 25961 8413 1 18 . 1 1 98 98 THR CB C 98 69.913 69.913 68.806 1.107 25961 8414 1 18 . 1 1 98 98 THR H H 98 8.754 8.754 8.428 0.326 25961 8415 1 18 . 1 1 99 99 ILE N N 99 125.689 125.689 125.523 0.166 25961 8416 1 18 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.540 -0.429 25961 8417 1 18 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.100 -0.731 25961 8418 1 18 . 1 1 99 99 ILE CB C 99 39.691 39.691 40.337 -0.645 25961 8419 1 18 . 1 1 99 99 ILE H H 99 8.868 8.868 8.049 0.819 25961 8420 1 18 . 1 1 100 100 VAL N N 100 129.871 129.871 127.294 2.577 25961 8421 1 18 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.340 0.326 25961 8422 1 18 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.756 0.111 25961 8423 1 18 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.395 -2.785 25961 8424 1 18 . 1 1 100 100 VAL H H 100 8.818 8.818 8.565 0.253 25961 8425 1 18 . 1 1 101 101 VAL N N 101 128.299 128.299 130.459 -2.160 25961 8426 1 18 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.212 -0.843 25961 8427 1 18 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.486 2.841 25961 8428 1 18 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.565 -1.591 25961 8429 1 18 . 1 1 101 101 VAL H H 101 8.795 8.795 7.883 0.912 25961 8430 1 18 . 1 1 102 102 GLY N N 102 115.466 115.466 114.544 0.922 25961 8431 1 18 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.223 -0.543 25961 8432 1 18 . 1 1 102 102 GLY H H 102 8.393 8.393 8.582 -0.189 25961 8433 1 18 . 1 1 103 103 GLU N N 103 119.459 119.459 123.931 -4.472 25961 8434 1 18 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.380 0.575 25961 8435 1 18 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.833 -2.087 25961 8436 1 18 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.412 1.789 25961 8437 1 18 . 1 1 103 103 GLU H H 103 8.386 8.386 8.064 0.322 25961 8438 1 18 . 1 1 104 104 LEU N N 104 123.881 123.881 121.531 2.350 25961 8439 1 18 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.753 -0.054 25961 8440 1 18 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.067 -0.500 25961 8441 1 18 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.203 2.855 25961 8442 1 18 . 1 1 104 104 LEU H H 104 8.735 8.735 7.751 0.984 25961 8443 1 19 . 1 1 2 2 LEU N N 2 122.611 122.611 114.460 8.151 25961 8444 1 19 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.977 -0.585 25961 8445 1 19 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.186 -0.854 25961 8446 1 19 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.307 -2.990 25961 8447 1 19 . 1 1 2 2 LEU H H 2 8.535 8.535 8.331 0.204 25961 8448 1 19 . 1 1 3 3 THR N N 3 112.475 112.475 113.406 -0.931 25961 8449 1 19 . 1 1 3 3 THR HA H 3 4.777 4.777 4.698 0.079 25961 8450 1 19 . 1 1 3 3 THR CA C 3 59.259 59.259 60.572 -1.313 25961 8451 1 19 . 1 1 3 3 THR CB C 3 70.185 70.185 70.845 -0.660 25961 8452 1 19 . 1 1 3 3 THR H H 3 7.903 7.903 8.306 -0.403 25961 8453 1 19 . 1 1 4 4 ARG N N 4 120.183 120.183 122.449 -2.266 25961 8454 1 19 . 1 1 4 4 ARG H H 4 8.809 8.809 8.672 0.137 25961 8455 1 19 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.414 -0.042 25961 8456 1 19 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.294 1.724 25961 8457 1 19 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.874 0.714 25961 8458 1 19 . 1 1 6 6 TYR N N 6 120.727 120.727 123.690 -2.963 25961 8459 1 19 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.654 -0.020 25961 8460 1 19 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.644 -1.568 25961 8461 1 19 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.215 -0.161 25961 8462 1 19 . 1 1 6 6 TYR H H 6 7.530 7.530 7.939 -0.409 25961 8463 1 19 . 1 1 7 7 LEU N N 7 126.575 126.575 123.177 3.398 25961 8464 1 19 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.492 -1.085 25961 8465 1 19 . 1 1 7 7 LEU H H 7 8.500 8.500 8.068 0.432 25961 8466 1 19 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.102 0.605 25961 8467 1 19 . 1 1 9 9 PHE N N 9 114.612 114.612 115.669 -1.057 25961 8468 1 19 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.711 0.647 25961 8469 1 19 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.687 -1.425 25961 8470 1 19 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.025 -0.571 25961 8471 1 19 . 1 1 9 9 PHE H H 9 7.102 7.102 7.591 -0.489 25961 8472 1 19 . 1 1 10 10 ARG N N 10 117.800 117.800 120.588 -2.788 25961 8473 1 19 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.476 0.195 25961 8474 1 19 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.677 -1.278 25961 8475 1 19 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.170 0.645 25961 8476 1 19 . 1 1 10 10 ARG H H 10 8.206 8.206 8.507 -0.301 25961 8477 1 19 . 1 1 11 11 VAL N N 11 117.216 117.216 115.842 1.374 25961 8478 1 19 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.165 0.002 25961 8479 1 19 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.618 -1.429 25961 8480 1 19 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.353 -1.478 25961 8481 1 19 . 1 1 11 11 VAL H H 11 8.601 8.601 8.156 0.445 25961 8482 1 19 . 1 1 12 12 ALA N N 12 123.025 123.025 129.265 -6.240 25961 8483 1 19 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.796 -0.216 25961 8484 1 19 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.776 -1.234 25961 8485 1 19 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.991 0.791 25961 8486 1 19 . 1 1 12 12 ALA H H 12 8.861 8.861 8.058 0.803 25961 8487 1 19 . 1 1 13 13 VAL N N 13 121.395 121.395 123.187 -1.792 25961 8488 1 19 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.074 0.477 25961 8489 1 19 . 1 1 13 13 VAL CA C 13 61.283 61.283 63.191 -1.907 25961 8490 1 19 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.860 -1.166 25961 8491 1 19 . 1 1 13 13 VAL H H 13 8.585 8.585 8.569 0.016 25961 8492 1 19 . 1 1 14 14 GLY N N 14 117.546 117.546 116.012 1.534 25961 8493 1 19 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.345 -1.961 25961 8494 1 19 . 1 1 14 14 GLY H H 14 8.789 8.789 8.159 0.630 25961 8495 1 19 . 1 1 15 15 ARG N N 15 120.075 120.075 120.588 -0.513 25961 8496 1 19 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.754 0.356 25961 8497 1 19 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.242 -1.349 25961 8498 1 19 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.617 0.140 25961 8499 1 19 . 1 1 15 15 ARG H H 15 8.299 8.299 8.356 -0.057 25961 8500 1 19 . 1 1 16 16 ASP N N 16 123.872 123.872 121.064 2.808 25961 8501 1 19 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.797 -0.052 25961 8502 1 19 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.765 -1.394 25961 8503 1 19 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.359 -0.607 25961 8504 1 19 . 1 1 16 16 ASP H H 16 8.619 8.619 8.465 0.154 25961 8505 1 19 . 1 1 17 17 SER N N 17 114.309 114.309 114.275 0.034 25961 8506 1 19 . 1 1 17 17 SER HA H 17 4.196 4.196 4.307 -0.111 25961 8507 1 19 . 1 1 17 17 SER CA C 17 59.950 59.950 60.082 -0.132 25961 8508 1 19 . 1 1 17 17 SER CB C 17 61.825 61.825 63.465 -1.640 25961 8509 1 19 . 1 1 17 17 SER H H 17 8.624 8.624 8.133 0.491 25961 8510 1 19 . 1 1 18 18 SER N N 18 117.903 117.903 115.659 2.244 25961 8511 1 19 . 1 1 18 18 SER HA H 18 4.597 4.597 4.393 0.204 25961 8512 1 19 . 1 1 18 18 SER CA C 18 57.732 57.732 59.402 -1.670 25961 8513 1 19 . 1 1 18 18 SER CB C 18 63.470 63.470 63.812 -0.342 25961 8514 1 19 . 1 1 18 18 SER H H 18 8.385 8.385 7.962 0.423 25961 8515 1 19 . 1 1 19 19 GLY N N 19 109.883 109.883 108.033 1.850 25961 8516 1 19 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.861 -0.690 25961 8517 1 19 . 1 1 19 19 GLY H H 19 8.214 8.214 8.671 -0.457 25961 8518 1 19 . 1 1 20 20 CYS N N 20 122.167 122.167 118.645 3.522 25961 8519 1 19 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.739 -0.251 25961 8520 1 19 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.733 0.304 25961 8521 1 19 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.371 -2.686 25961 8522 1 19 . 1 1 20 20 CYS H H 20 8.286 8.286 8.243 0.043 25961 8523 1 19 . 1 1 21 21 THR N N 21 119.387 119.387 115.751 3.636 25961 8524 1 19 . 1 1 21 21 THR HA H 21 4.764 4.764 4.136 0.628 25961 8525 1 19 . 1 1 21 21 THR CA C 21 61.953 61.953 64.007 -2.054 25961 8526 1 19 . 1 1 21 21 THR CB C 21 68.795 68.795 67.503 1.292 25961 8527 1 19 . 1 1 21 21 THR H H 21 8.626 8.626 7.898 0.728 25961 8528 1 19 . 1 1 22 22 THR N N 22 116.611 116.611 115.750 0.861 25961 8529 1 19 . 1 1 22 22 THR HA H 22 4.513 4.513 4.687 -0.174 25961 8530 1 19 . 1 1 22 22 THR CA C 22 58.918 58.918 59.957 -1.039 25961 8531 1 19 . 1 1 22 22 THR CB C 22 71.128 71.128 70.971 0.157 25961 8532 1 19 . 1 1 22 22 THR H H 22 8.343 8.343 7.943 0.400 25961 8533 1 19 . 1 1 23 23 LEU N N 23 122.893 122.893 124.009 -1.116 25961 8534 1 19 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.062 -0.130 25961 8535 1 19 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.759 -1.272 25961 8536 1 19 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.420 -2.155 25961 8537 1 19 . 1 1 23 23 LEU H H 23 9.157 9.157 8.719 0.438 25961 8538 1 19 . 1 1 24 24 SER N N 24 116.771 116.771 114.608 2.163 25961 8539 1 19 . 1 1 24 24 SER HA H 24 5.173 5.173 4.889 0.284 25961 8540 1 19 . 1 1 24 24 SER CA C 24 55.247 55.247 57.059 -1.812 25961 8541 1 19 . 1 1 24 24 SER CB C 24 64.841 64.841 65.589 -0.748 25961 8542 1 19 . 1 1 24 24 SER H H 24 8.656 8.656 8.064 0.592 25961 8543 1 19 . 1 1 25 25 ILE N N 25 122.747 122.747 117.914 4.833 25961 8544 1 19 . 1 1 25 25 ILE HA H 25 4.031 4.031 5.216 -1.185 25961 8545 1 19 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.808 1.462 25961 8546 1 19 . 1 1 25 25 ILE CB C 25 34.649 34.649 39.620 -4.971 25961 8547 1 19 . 1 1 25 25 ILE H H 25 9.023 9.023 8.139 0.884 25961 8548 1 19 . 1 1 26 26 GLN N N 26 129.779 129.779 124.405 5.374 25961 8549 1 19 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.355 0.074 25961 8550 1 19 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.361 -2.774 25961 8551 1 19 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.692 0.584 25961 8552 1 19 . 1 1 26 26 GLN H H 26 9.093 9.093 8.558 0.535 25961 8553 1 19 . 1 1 27 27 GLU N N 27 118.722 118.722 117.632 1.090 25961 8554 1 19 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.497 0.467 25961 8555 1 19 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.983 0.039 25961 8556 1 19 . 1 1 27 27 GLU H H 27 7.479 7.479 8.108 -0.629 25961 8557 1 19 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.393 0.050 25961 8558 1 19 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.812 -0.657 25961 8559 1 19 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.548 1.132 25961 8560 1 19 . 1 1 29 29 THR N N 29 124.459 124.459 118.800 5.659 25961 8561 1 19 . 1 1 29 29 THR HA H 29 4.183 4.183 4.602 -0.419 25961 8562 1 19 . 1 1 29 29 THR CA C 29 62.474 62.474 62.569 -0.095 25961 8563 1 19 . 1 1 29 29 THR CB C 29 68.811 68.811 69.220 -0.409 25961 8564 1 19 . 1 1 29 29 THR H H 29 8.009 8.009 8.436 -0.427 25961 8565 1 19 . 1 1 30 30 GLN N N 30 130.053 130.053 120.595 9.458 25961 8566 1 19 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.533 -1.011 25961 8567 1 19 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.754 2.132 25961 8568 1 19 . 1 1 30 30 GLN CB C 30 27.305 27.305 29.160 -1.855 25961 8569 1 19 . 1 1 30 30 GLN H H 30 9.321 9.321 8.175 1.146 25961 8570 1 19 . 1 1 31 31 THR N N 31 111.234 111.234 108.773 2.461 25961 8571 1 19 . 1 1 31 31 THR HA H 31 5.509 5.509 4.614 0.895 25961 8572 1 19 . 1 1 31 31 THR CA C 31 58.798 58.798 60.766 -1.968 25961 8573 1 19 . 1 1 31 31 THR CB C 31 71.374 71.374 68.406 2.968 25961 8574 1 19 . 1 1 31 31 THR H H 31 7.630 7.630 8.071 -0.441 25961 8575 1 19 . 1 1 32 32 TYR N N 32 121.998 121.998 120.639 1.359 25961 8576 1 19 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.729 0.074 25961 8577 1 19 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.538 -2.739 25961 8578 1 19 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.203 -2.485 25961 8579 1 19 . 1 1 32 32 TYR H H 32 9.359 9.359 7.477 1.882 25961 8580 1 19 . 1 1 33 33 THR N N 33 114.039 114.039 115.699 -1.660 25961 8581 1 19 . 1 1 33 33 THR HA H 33 4.390 4.390 4.633 -0.243 25961 8582 1 19 . 1 1 33 33 THR CA C 33 59.896 59.896 61.284 -1.388 25961 8583 1 19 . 1 1 33 33 THR CB C 33 69.135 69.135 72.134 -2.999 25961 8584 1 19 . 1 1 33 33 THR H H 33 7.985 7.985 8.066 -0.081 25961 8585 1 19 . 1 1 34 34 GLY N N 34 113.445 113.445 108.431 5.014 25961 8586 1 19 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.795 -1.723 25961 8587 1 19 . 1 1 34 34 GLY H H 34 8.698 8.698 8.393 0.305 25961 8588 1 19 . 1 1 35 35 SER N N 35 113.837 113.837 116.506 -2.669 25961 8589 1 19 . 1 1 35 35 SER HA H 35 4.264 4.264 4.555 -0.291 25961 8590 1 19 . 1 1 35 35 SER CA C 35 57.651 57.651 56.998 0.653 25961 8591 1 19 . 1 1 35 35 SER CB C 35 63.056 63.056 64.660 -1.604 25961 8592 1 19 . 1 1 35 35 SER H H 35 8.039 8.039 7.701 0.338 25961 8593 1 19 . 1 1 36 36 ASN N N 36 119.749 119.749 121.116 -1.367 25961 8594 1 19 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.396 0.188 25961 8595 1 19 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.163 -1.381 25961 8596 1 19 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.944 -0.757 25961 8597 1 19 . 1 1 36 36 ASN H H 36 8.767 8.767 9.075 -0.308 25961 8598 1 19 . 1 1 37 37 GLY N N 37 110.628 110.628 103.859 6.769 25961 8599 1 19 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.358 -0.773 25961 8600 1 19 . 1 1 37 37 GLY H H 37 8.496 8.496 7.910 0.586 25961 8601 1 19 . 1 1 38 38 GLY N N 38 108.654 108.654 109.421 -0.767 25961 8602 1 19 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.977 -0.877 25961 8603 1 19 . 1 1 38 38 GLY H H 38 7.955 7.955 8.073 -0.118 25961 8604 1 19 . 1 1 39 39 ALA N N 39 123.326 123.326 124.832 -1.506 25961 8605 1 19 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.322 -0.111 25961 8606 1 19 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.857 -1.019 25961 8607 1 19 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.680 -1.951 25961 8608 1 19 . 1 1 39 39 ALA H H 39 8.028 8.028 7.766 0.262 25961 8609 1 19 . 1 1 40 40 ASP N N 40 119.573 119.573 120.731 -1.158 25961 8610 1 19 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.592 -0.205 25961 8611 1 19 . 1 1 40 40 ASP CA C 40 53.994 53.994 53.802 0.192 25961 8612 1 19 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.792 -1.165 25961 8613 1 19 . 1 1 40 40 ASP H H 40 8.261 8.261 8.258 0.002 25961 8614 1 19 . 1 1 41 41 LEU N N 41 123.899 123.899 122.602 1.297 25961 8615 1 19 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.432 0.010 25961 8616 1 19 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.420 -2.199 25961 8617 1 19 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.678 -2.669 25961 8618 1 19 . 1 1 41 41 LEU H H 41 8.663 8.663 7.934 0.729 25961 8619 1 19 . 1 1 42 42 MET N N 42 119.684 119.684 117.826 1.858 25961 8620 1 19 . 1 1 42 42 MET HA H 42 4.730 4.730 4.708 0.022 25961 8621 1 19 . 1 1 42 42 MET CA C 42 54.695 54.695 55.130 -0.435 25961 8622 1 19 . 1 1 42 42 MET CB C 42 32.194 32.194 33.082 -0.888 25961 8623 1 19 . 1 1 42 42 MET H H 42 8.553 8.553 8.224 0.329 25961 8624 1 19 . 1 1 43 43 GLY N N 43 113.052 113.052 111.216 1.836 25961 8625 1 19 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.419 -3.041 25961 8626 1 19 . 1 1 43 43 GLY H H 43 8.618 8.618 8.703 -0.085 25961 8627 1 19 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.574 0.146 25961 8628 1 19 . 1 1 44 44 PRO CA C 44 61.231 61.231 63.883 -2.652 25961 8629 1 19 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.737 0.216 25961 8630 1 19 . 1 1 45 45 ALA N N 45 120.693 120.693 120.738 -0.045 25961 8631 1 19 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.221 -0.237 25961 8632 1 19 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.610 -0.806 25961 8633 1 19 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.486 -0.520 25961 8634 1 19 . 1 1 45 45 ALA H H 45 7.524 7.524 7.943 -0.419 25961 8635 1 19 . 1 1 46 46 PHE N N 46 122.306 122.306 119.948 2.358 25961 8636 1 19 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.246 -0.284 25961 8637 1 19 . 1 1 46 46 PHE CA C 46 60.326 60.326 58.813 1.512 25961 8638 1 19 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.928 -0.308 25961 8639 1 19 . 1 1 46 46 PHE H H 46 8.603 8.603 7.843 0.760 25961 8640 1 19 . 1 1 47 47 ALA N N 47 123.253 123.253 120.837 2.416 25961 8641 1 19 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.007 0.081 25961 8642 1 19 . 1 1 47 47 ALA CA C 47 53.951 53.951 53.835 0.116 25961 8643 1 19 . 1 1 47 47 ALA CB C 47 17.647 17.647 17.988 -0.341 25961 8644 1 19 . 1 1 47 47 ALA H H 47 9.199 9.199 7.779 1.420 25961 8645 1 19 . 1 1 48 48 ALA N N 48 117.571 117.571 119.507 -1.936 25961 8646 1 19 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.313 -0.010 25961 8647 1 19 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.913 -0.226 25961 8648 1 19 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.186 -1.414 25961 8649 1 19 . 1 1 48 48 ALA H H 48 7.262 7.262 7.437 -0.175 25961 8650 1 19 . 1 1 49 49 GLY N N 49 103.229 103.229 106.487 -3.258 25961 8651 1 19 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.768 -1.149 25961 8652 1 19 . 1 1 49 49 GLY H H 49 7.461 7.461 7.629 -0.168 25961 8653 1 19 . 1 1 50 50 LEU N N 50 120.470 120.470 118.008 2.462 25961 8654 1 19 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.445 -0.927 25961 8655 1 19 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.325 -0.913 25961 8656 1 19 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.475 -0.520 25961 8657 1 19 . 1 1 50 50 LEU H H 50 7.224 7.224 7.219 0.005 25961 8658 1 19 . 1 1 51 51 ARG N N 51 119.645 119.645 124.086 -4.441 25961 8659 1 19 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.706 -1.215 25961 8660 1 19 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.674 -0.858 25961 8661 1 19 . 1 1 51 51 ARG H H 51 8.678 8.678 9.261 -0.583 25961 8662 1 19 . 1 1 52 52 VAL N N 52 119.995 119.995 118.599 1.396 25961 8663 1 19 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.815 -0.592 25961 8664 1 19 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.262 0.956 25961 8665 1 19 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.992 -0.843 25961 8666 1 19 . 1 1 52 52 VAL H H 52 8.482 8.482 8.309 0.173 25961 8667 1 19 . 1 1 53 53 GLY N N 53 117.052 117.052 115.349 1.703 25961 8668 1 19 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.850 -1.425 25961 8669 1 19 . 1 1 53 53 GLY H H 53 9.122 9.122 8.593 0.529 25961 8670 1 19 . 1 1 54 54 ASP N N 54 124.203 124.203 122.100 2.103 25961 8671 1 19 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.945 -0.112 25961 8672 1 19 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.062 1.672 25961 8673 1 19 . 1 1 54 54 ASP CB C 54 40.279 40.279 40.839 -0.560 25961 8674 1 19 . 1 1 54 54 ASP H H 54 7.848 7.848 7.777 0.071 25961 8675 1 19 . 1 1 55 55 GLN N N 55 121.703 121.703 123.087 -1.384 25961 8676 1 19 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.400 0.467 25961 8677 1 19 . 1 1 55 55 GLN CA C 55 53.526 53.526 56.028 -2.502 25961 8678 1 19 . 1 1 55 55 GLN CB C 55 29.032 29.032 28.700 0.332 25961 8679 1 19 . 1 1 55 55 GLN H H 55 9.158 9.158 8.145 1.013 25961 8680 1 19 . 1 1 56 56 LEU N N 56 124.733 124.733 126.752 -2.019 25961 8681 1 19 . 1 1 56 56 LEU HA H 56 4.187 4.187 3.860 0.327 25961 8682 1 19 . 1 1 56 56 LEU CA C 56 55.195 55.195 55.602 -0.407 25961 8683 1 19 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.454 0.559 25961 8684 1 19 . 1 1 56 56 LEU H H 56 8.770 8.770 8.591 0.179 25961 8685 1 19 . 1 1 57 57 VAL N N 57 123.383 123.383 124.106 -0.723 25961 8686 1 19 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.203 0.105 25961 8687 1 19 . 1 1 57 57 VAL CA C 57 63.143 63.143 63.077 0.066 25961 8688 1 19 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.002 -0.367 25961 8689 1 19 . 1 1 57 57 VAL H H 57 8.889 8.889 7.678 1.211 25961 8690 1 19 . 1 1 58 58 ARG N N 58 118.094 118.094 116.984 1.110 25961 8691 1 19 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.713 1.625 25961 8692 1 19 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.264 -3.052 25961 8693 1 19 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.696 5.917 25961 8694 1 19 . 1 1 58 58 ARG H H 58 8.531 8.531 7.464 1.067 25961 8695 1 19 . 1 1 59 59 PHE N N 59 123.332 123.332 116.413 6.919 25961 8696 1 19 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.531 0.404 25961 8697 1 19 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.405 0.451 25961 8698 1 19 . 1 1 59 59 PHE CB C 59 42.971 42.971 43.014 -0.043 25961 8699 1 19 . 1 1 59 59 PHE H H 59 9.295 9.295 7.496 1.799 25961 8700 1 19 . 1 1 60 60 ALA N N 60 127.537 127.537 125.460 2.077 25961 8701 1 19 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.250 -0.663 25961 8702 1 19 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.873 -0.499 25961 8703 1 19 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.021 -2.549 25961 8704 1 19 . 1 1 60 60 ALA H H 60 8.356 8.356 8.839 -0.483 25961 8705 1 19 . 1 1 61 61 GLY N N 61 103.058 103.058 113.378 -10.320 25961 8706 1 19 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.572 -0.785 25961 8707 1 19 . 1 1 61 61 GLY H H 61 9.178 9.178 8.051 1.127 25961 8708 1 19 . 1 1 62 62 TYR N N 62 120.218 120.218 116.642 3.576 25961 8709 1 19 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.175 0.455 25961 8710 1 19 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.308 -1.731 25961 8711 1 19 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.274 3.618 25961 8712 1 19 . 1 1 62 62 TYR H H 62 7.888 7.888 7.694 0.194 25961 8713 1 19 . 1 1 63 63 THR N N 63 120.933 120.933 111.674 9.259 25961 8714 1 19 . 1 1 63 63 THR HA H 63 4.479 4.479 4.791 -0.312 25961 8715 1 19 . 1 1 63 63 THR CA C 63 62.851 62.851 60.450 2.401 25961 8716 1 19 . 1 1 63 63 THR CB C 63 67.848 67.848 71.901 -4.053 25961 8717 1 19 . 1 1 63 63 THR H H 63 9.108 9.108 7.578 1.530 25961 8718 1 19 . 1 1 64 64 VAL N N 64 121.039 121.039 125.108 -4.069 25961 8719 1 19 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.660 -0.061 25961 8720 1 19 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.581 -1.714 25961 8721 1 19 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.471 -2.467 25961 8722 1 19 . 1 1 64 64 VAL H H 64 7.782 7.782 8.290 -0.508 25961 8723 1 19 . 1 1 65 65 THR N N 65 114.373 114.373 118.752 -4.379 25961 8724 1 19 . 1 1 65 65 THR HA H 65 4.452 4.452 4.371 0.081 25961 8725 1 19 . 1 1 65 65 THR CA C 65 60.536 60.536 63.465 -2.929 25961 8726 1 19 . 1 1 65 65 THR CB C 65 69.037 69.037 69.254 -0.217 25961 8727 1 19 . 1 1 65 65 THR H H 65 9.053 9.053 8.526 0.527 25961 8728 1 19 . 1 1 66 66 GLU N N 66 115.766 115.766 119.293 -3.527 25961 8729 1 19 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.523 0.040 25961 8730 1 19 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.768 -2.381 25961 8731 1 19 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.736 0.829 25961 8732 1 19 . 1 1 66 66 GLU H H 66 7.345 7.345 7.760 -0.415 25961 8733 1 19 . 1 1 67 67 LEU N N 67 124.674 124.674 118.108 6.566 25961 8734 1 19 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.388 -0.454 25961 8735 1 19 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.815 -0.280 25961 8736 1 19 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.472 0.581 25961 8737 1 19 . 1 1 67 67 LEU H H 67 8.906 8.906 8.467 0.439 25961 8738 1 19 . 1 1 68 68 ALA N N 68 120.493 120.493 121.437 -0.944 25961 8739 1 19 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.098 0.038 25961 8740 1 19 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.091 -0.417 25961 8741 1 19 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.618 -1.097 25961 8742 1 19 . 1 1 68 68 ALA H H 68 9.022 9.022 8.526 0.496 25961 8743 1 19 . 1 1 69 69 ALA N N 69 119.695 119.695 120.816 -1.121 25961 8744 1 19 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.251 -0.089 25961 8745 1 19 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.974 -0.953 25961 8746 1 19 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.548 -0.885 25961 8747 1 19 . 1 1 69 69 ALA H H 69 7.258 7.258 7.925 -0.667 25961 8748 1 19 . 1 1 70 70 PHE N N 70 119.274 119.274 118.087 1.187 25961 8749 1 19 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.399 -0.440 25961 8750 1 19 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.108 0.852 25961 8751 1 19 . 1 1 70 70 PHE CB C 70 38.432 38.432 40.073 -1.641 25961 8752 1 19 . 1 1 70 70 PHE H H 70 7.769 7.769 7.520 0.249 25961 8753 1 19 . 1 1 71 71 ASN N N 71 117.363 117.363 119.394 -2.031 25961 8754 1 19 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.483 -0.381 25961 8755 1 19 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.537 -1.840 25961 8756 1 19 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.731 -2.659 25961 8757 1 19 . 1 1 71 71 ASN H H 71 8.801 8.801 8.705 0.096 25961 8758 1 19 . 1 1 72 72 THR N N 72 119.746 119.746 116.046 3.700 25961 8759 1 19 . 1 1 72 72 THR HA H 72 4.220 4.220 4.179 0.041 25961 8760 1 19 . 1 1 72 72 THR CA C 72 65.927 65.927 65.769 0.158 25961 8761 1 19 . 1 1 72 72 THR CB C 72 67.600 67.600 68.956 -1.356 25961 8762 1 19 . 1 1 72 72 THR H H 72 8.109 8.109 8.031 0.078 25961 8763 1 19 . 1 1 73 73 VAL N N 73 123.156 123.156 118.938 4.218 25961 8764 1 19 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.834 -0.379 25961 8765 1 19 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.694 0.462 25961 8766 1 19 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.324 -0.988 25961 8767 1 19 . 1 1 73 73 VAL H H 73 7.744 7.744 7.334 0.410 25961 8768 1 19 . 1 1 74 74 VAL N N 74 120.420 120.420 120.344 0.076 25961 8769 1 19 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.603 -0.237 25961 8770 1 19 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.373 1.225 25961 8771 1 19 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.969 -0.484 25961 8772 1 19 . 1 1 74 74 VAL H H 74 8.154 8.154 7.525 0.629 25961 8773 1 19 . 1 1 75 75 ALA N N 75 120.206 120.206 122.352 -2.146 25961 8774 1 19 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.996 -0.001 25961 8775 1 19 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.215 -1.216 25961 8776 1 19 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.357 -1.393 25961 8777 1 19 . 1 1 75 75 ALA H H 75 7.788 7.788 7.813 -0.025 25961 8778 1 19 . 1 1 76 76 ARG N N 76 114.701 114.701 116.479 -1.778 25961 8779 1 19 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.463 -0.378 25961 8780 1 19 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.244 -0.262 25961 8781 1 19 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.048 0.636 25961 8782 1 19 . 1 1 76 76 ARG H H 76 7.705 7.705 7.614 0.091 25961 8783 1 19 . 1 1 77 77 HIS N N 77 112.695 112.695 118.379 -5.684 25961 8784 1 19 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.492 0.318 25961 8785 1 19 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.052 -0.891 25961 8786 1 19 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.107 0.926 25961 8787 1 19 . 1 1 77 77 HIS H H 77 8.123 8.123 7.621 0.502 25961 8788 1 19 . 1 1 78 78 VAL N N 78 119.219 119.219 121.716 -2.497 25961 8789 1 19 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.703 0.190 25961 8790 1 19 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.252 -0.687 25961 8791 1 19 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.744 -0.616 25961 8792 1 19 . 1 1 78 78 VAL H H 78 8.034 8.034 7.963 0.071 25961 8793 1 19 . 1 1 79 79 ARG N N 79 126.908 126.908 126.267 0.641 25961 8794 1 19 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.559 -1.198 25961 8795 1 19 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.743 -3.552 25961 8796 1 19 . 1 1 79 79 ARG H H 79 7.023 7.023 8.128 -1.105 25961 8797 1 19 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.482 -0.457 25961 8798 1 19 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.491 0.079 25961 8799 1 19 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.225 -0.013 25961 8800 1 19 . 1 1 81 81 SER N N 81 115.039 115.039 115.068 -0.029 25961 8801 1 19 . 1 1 81 81 SER HA H 81 4.047 4.047 4.020 0.027 25961 8802 1 19 . 1 1 81 81 SER CA C 81 60.713 60.713 58.783 1.930 25961 8803 1 19 . 1 1 81 81 SER H H 81 8.210 8.210 8.499 -0.289 25961 8804 1 19 . 1 1 82 82 ALA N N 82 123.546 123.546 123.129 0.417 25961 8805 1 19 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.518 -0.172 25961 8806 1 19 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.736 -0.230 25961 8807 1 19 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.128 -1.032 25961 8808 1 19 . 1 1 82 82 ALA H H 82 7.770 7.770 7.295 0.475 25961 8809 1 19 . 1 1 83 83 SER N N 83 116.753 116.753 118.577 -1.824 25961 8810 1 19 . 1 1 83 83 SER HA H 83 5.129 5.129 5.540 -0.411 25961 8811 1 19 . 1 1 83 83 SER CA C 83 56.582 56.582 57.288 -0.706 25961 8812 1 19 . 1 1 83 83 SER CB C 83 62.554 62.554 64.792 -2.238 25961 8813 1 19 . 1 1 83 83 SER H H 83 8.524 8.524 8.583 -0.059 25961 8814 1 19 . 1 1 84 84 ILE N N 84 126.985 126.985 118.255 8.730 25961 8815 1 19 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.847 -3.062 25961 8816 1 19 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.218 -1.794 25961 8817 1 19 . 1 1 84 84 ILE H H 84 9.599 9.599 8.257 1.342 25961 8818 1 19 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.546 0.399 25961 8819 1 19 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.922 -1.368 25961 8820 1 19 . 1 1 85 85 PRO CB C 85 31.427 31.427 32.159 -0.732 25961 8821 1 19 . 1 1 86 86 VAL N N 86 123.811 123.811 123.339 0.472 25961 8822 1 19 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.217 0.632 25961 8823 1 19 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.757 -1.984 25961 8824 1 19 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.339 -0.695 25961 8825 1 19 . 1 1 86 86 VAL H H 86 9.033 9.033 7.952 1.081 25961 8826 1 19 . 1 1 87 87 VAL N N 87 127.839 127.839 126.004 1.835 25961 8827 1 19 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.418 0.554 25961 8828 1 19 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.823 -0.130 25961 8829 1 19 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.780 -0.362 25961 8830 1 19 . 1 1 87 87 VAL H H 87 9.132 9.132 8.374 0.758 25961 8831 1 19 . 1 1 88 88 PHE N N 88 127.301 127.301 128.639 -1.338 25961 8832 1 19 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.378 0.240 25961 8833 1 19 . 1 1 88 88 PHE CA C 88 54.211 54.211 56.185 -1.974 25961 8834 1 19 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.454 -2.452 25961 8835 1 19 . 1 1 88 88 PHE H H 88 9.248 9.248 8.107 1.141 25961 8836 1 19 . 1 1 89 89 SER N N 89 113.734 113.734 114.966 -1.232 25961 8837 1 19 . 1 1 89 89 SER HA H 89 5.336 5.336 5.295 0.041 25961 8838 1 19 . 1 1 89 89 SER CA C 89 54.452 54.452 56.912 -2.460 25961 8839 1 19 . 1 1 89 89 SER CB C 89 64.474 64.474 65.992 -1.518 25961 8840 1 19 . 1 1 89 89 SER H H 89 9.689 9.689 8.284 1.405 25961 8841 1 19 . 1 1 90 90 ARG N N 90 128.114 128.114 123.902 4.212 25961 8842 1 19 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.663 0.084 25961 8843 1 19 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.776 -1.654 25961 8844 1 19 . 1 1 90 90 ARG CB C 90 32.336 32.336 32.673 -0.337 25961 8845 1 19 . 1 1 90 90 ARG H H 90 8.561 8.561 7.987 0.574 25961 8846 1 19 . 1 1 91 91 ASP N N 91 129.790 129.790 122.548 7.242 25961 8847 1 19 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.388 -0.119 25961 8848 1 19 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.132 -0.631 25961 8849 1 19 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.732 -0.651 25961 8850 1 19 . 1 1 91 91 ASP H H 91 9.461 9.461 9.194 0.267 25961 8851 1 19 . 1 1 92 92 GLY N N 92 102.404 102.404 101.707 0.697 25961 8852 1 19 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.069 -0.763 25961 8853 1 19 . 1 1 92 92 GLY H H 92 8.391 8.391 8.444 -0.053 25961 8854 1 19 . 1 1 93 93 VAL N N 93 123.090 123.090 121.932 1.158 25961 8855 1 19 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.830 0.172 25961 8856 1 19 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.710 -2.444 25961 8857 1 19 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.470 -0.652 25961 8858 1 19 . 1 1 93 93 VAL H H 93 7.682 7.682 7.450 0.232 25961 8859 1 19 . 1 1 94 94 VAL N N 94 128.414 128.414 126.722 1.692 25961 8860 1 19 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.886 0.248 25961 8861 1 19 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.932 0.408 25961 8862 1 19 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.036 -1.921 25961 8863 1 19 . 1 1 94 94 VAL H H 94 8.400 8.400 8.312 0.088 25961 8864 1 19 . 1 1 95 95 MET N N 95 129.196 129.196 129.025 0.171 25961 8865 1 19 . 1 1 95 95 MET HA H 95 4.352 4.352 4.938 -0.586 25961 8866 1 19 . 1 1 95 95 MET CA C 95 53.674 53.674 54.238 -0.564 25961 8867 1 19 . 1 1 95 95 MET CB C 95 36.104 36.104 37.070 -0.966 25961 8868 1 19 . 1 1 95 95 MET H H 95 9.100 9.100 8.517 0.583 25961 8869 1 19 . 1 1 96 96 SER N N 96 111.540 111.540 116.760 -5.220 25961 8870 1 19 . 1 1 96 96 SER HA H 96 5.469 5.469 5.106 0.363 25961 8871 1 19 . 1 1 96 96 SER CA C 96 55.830 55.830 57.340 -1.510 25961 8872 1 19 . 1 1 96 96 SER CB C 96 65.471 65.471 65.081 0.390 25961 8873 1 19 . 1 1 96 96 SER H H 96 8.004 8.004 8.389 -0.385 25961 8874 1 19 . 1 1 97 97 ALA N N 97 124.079 124.079 128.961 -4.882 25961 8875 1 19 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.730 0.058 25961 8876 1 19 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.008 -1.609 25961 8877 1 19 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.734 0.810 25961 8878 1 19 . 1 1 97 97 ALA H H 97 9.145 9.145 8.295 0.850 25961 8879 1 19 . 1 1 98 98 THR N N 98 117.342 117.342 118.358 -1.016 25961 8880 1 19 . 1 1 98 98 THR HA H 98 4.823 4.823 4.353 0.470 25961 8881 1 19 . 1 1 98 98 THR CA C 98 61.053 61.053 62.618 -1.565 25961 8882 1 19 . 1 1 98 98 THR CB C 98 69.913 69.913 69.196 0.717 25961 8883 1 19 . 1 1 98 98 THR H H 98 8.754 8.754 8.421 0.333 25961 8884 1 19 . 1 1 99 99 ILE N N 99 125.689 125.689 126.467 -0.778 25961 8885 1 19 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.466 -0.355 25961 8886 1 19 . 1 1 99 99 ILE CA C 99 59.369 59.369 59.209 0.160 25961 8887 1 19 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.690 1.001 25961 8888 1 19 . 1 1 99 99 ILE H H 99 8.868 8.868 8.082 0.786 25961 8889 1 19 . 1 1 100 100 VAL N N 100 129.871 129.871 123.200 6.671 25961 8890 1 19 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.801 -0.135 25961 8891 1 19 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.165 0.702 25961 8892 1 19 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.390 -2.780 25961 8893 1 19 . 1 1 100 100 VAL H H 100 8.818 8.818 8.376 0.442 25961 8894 1 19 . 1 1 101 101 VAL N N 101 128.299 128.299 125.469 2.830 25961 8895 1 19 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.407 -1.038 25961 8896 1 19 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.249 4.078 25961 8897 1 19 . 1 1 101 101 VAL CB C 101 30.974 30.974 34.125 -3.151 25961 8898 1 19 . 1 1 101 101 VAL H H 101 8.795 8.795 7.894 0.901 25961 8899 1 19 . 1 1 102 102 GLY N N 102 115.466 115.466 110.488 4.978 25961 8900 1 19 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.235 -0.555 25961 8901 1 19 . 1 1 102 102 GLY H H 102 8.393 8.393 8.245 0.148 25961 8902 1 19 . 1 1 103 103 GLU N N 103 119.459 119.459 125.679 -6.220 25961 8903 1 19 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.294 0.661 25961 8904 1 19 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.765 -3.019 25961 8905 1 19 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.211 1.990 25961 8906 1 19 . 1 1 103 103 GLU H H 103 8.386 8.386 8.273 0.113 25961 8907 1 19 . 1 1 104 104 LEU N N 104 123.881 123.881 119.996 3.885 25961 8908 1 19 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.562 0.138 25961 8909 1 19 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.355 -0.788 25961 8910 1 19 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.183 1.875 25961 8911 1 19 . 1 1 104 104 LEU H H 104 8.735 8.735 7.729 1.006 25961 8912 1 20 . 1 1 2 2 LEU N N 2 122.611 122.611 113.892 8.719 25961 8913 1 20 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.939 -0.547 25961 8914 1 20 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.142 -0.810 25961 8915 1 20 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.099 -2.782 25961 8916 1 20 . 1 1 2 2 LEU H H 2 8.535 8.535 8.300 0.235 25961 8917 1 20 . 1 1 3 3 THR N N 3 112.475 112.475 113.481 -1.006 25961 8918 1 20 . 1 1 3 3 THR HA H 3 4.777 4.777 4.546 0.231 25961 8919 1 20 . 1 1 3 3 THR CA C 3 59.259 59.259 60.395 -1.136 25961 8920 1 20 . 1 1 3 3 THR CB C 3 70.185 70.185 70.996 -0.811 25961 8921 1 20 . 1 1 3 3 THR H H 3 7.903 7.903 8.304 -0.401 25961 8922 1 20 . 1 1 4 4 ARG N N 4 120.183 120.183 121.640 -1.457 25961 8923 1 20 . 1 1 4 4 ARG H H 4 8.809 8.809 8.398 0.411 25961 8924 1 20 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.476 -0.104 25961 8925 1 20 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.454 1.563 25961 8926 1 20 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.224 1.364 25961 8927 1 20 . 1 1 6 6 TYR N N 6 120.727 120.727 122.736 -2.009 25961 8928 1 20 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.636 -0.002 25961 8929 1 20 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.189 -1.113 25961 8930 1 20 . 1 1 6 6 TYR CB C 6 41.054 41.054 42.162 -1.108 25961 8931 1 20 . 1 1 6 6 TYR H H 6 7.530 7.530 8.108 -0.578 25961 8932 1 20 . 1 1 7 7 LEU N N 7 126.575 126.575 121.451 5.124 25961 8933 1 20 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.356 -0.949 25961 8934 1 20 . 1 1 7 7 LEU H H 7 8.500 8.500 7.951 0.549 25961 8935 1 20 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.658 1.048 25961 8936 1 20 . 1 1 9 9 PHE N N 9 114.612 114.612 115.381 -0.769 25961 8937 1 20 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.705 0.653 25961 8938 1 20 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.714 -1.452 25961 8939 1 20 . 1 1 9 9 PHE CB C 9 39.454 39.454 41.008 -1.554 25961 8940 1 20 . 1 1 9 9 PHE H H 9 7.102 7.102 7.192 -0.090 25961 8941 1 20 . 1 1 10 10 ARG N N 10 117.800 117.800 120.942 -3.142 25961 8942 1 20 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.751 -0.080 25961 8943 1 20 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.997 -1.598 25961 8944 1 20 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.207 0.608 25961 8945 1 20 . 1 1 10 10 ARG H H 10 8.206 8.206 8.554 -0.348 25961 8946 1 20 . 1 1 11 11 VAL N N 11 117.216 117.216 119.053 -1.837 25961 8947 1 20 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.159 0.008 25961 8948 1 20 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.520 -1.330 25961 8949 1 20 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.161 -0.286 25961 8950 1 20 . 1 1 11 11 VAL H H 11 8.601 8.601 8.425 0.176 25961 8951 1 20 . 1 1 12 12 ALA N N 12 123.025 123.025 130.929 -7.904 25961 8952 1 20 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.758 -0.178 25961 8953 1 20 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.782 -1.239 25961 8954 1 20 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.708 1.074 25961 8955 1 20 . 1 1 12 12 ALA H H 12 8.861 8.861 8.036 0.825 25961 8956 1 20 . 1 1 13 13 VAL N N 13 121.395 121.395 125.402 -4.007 25961 8957 1 20 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.639 -0.088 25961 8958 1 20 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.295 -0.012 25961 8959 1 20 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.248 -0.554 25961 8960 1 20 . 1 1 13 13 VAL H H 13 8.585 8.585 8.636 -0.051 25961 8961 1 20 . 1 1 14 14 GLY N N 14 117.546 117.546 117.436 0.110 25961 8962 1 20 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.133 -1.748 25961 8963 1 20 . 1 1 14 14 GLY H H 14 8.789 8.789 8.715 0.074 25961 8964 1 20 . 1 1 15 15 ARG N N 15 120.075 120.075 120.125 -0.050 25961 8965 1 20 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.717 0.393 25961 8966 1 20 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.824 -0.931 25961 8967 1 20 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.384 0.372 25961 8968 1 20 . 1 1 15 15 ARG H H 15 8.299 8.299 8.395 -0.096 25961 8969 1 20 . 1 1 16 16 ASP N N 16 123.872 123.872 122.297 1.575 25961 8970 1 20 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.781 -0.036 25961 8971 1 20 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.601 -1.230 25961 8972 1 20 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.081 -1.329 25961 8973 1 20 . 1 1 16 16 ASP H H 16 8.619 8.619 8.476 0.143 25961 8974 1 20 . 1 1 17 17 SER N N 17 114.309 114.309 113.979 0.330 25961 8975 1 20 . 1 1 17 17 SER HA H 17 4.196 4.196 4.312 -0.116 25961 8976 1 20 . 1 1 17 17 SER CA C 17 59.950 59.950 60.285 -0.335 25961 8977 1 20 . 1 1 17 17 SER CB C 17 61.825 61.825 63.699 -1.874 25961 8978 1 20 . 1 1 17 17 SER H H 17 8.624 8.624 8.147 0.477 25961 8979 1 20 . 1 1 18 18 SER N N 18 117.903 117.903 116.205 1.698 25961 8980 1 20 . 1 1 18 18 SER HA H 18 4.597 4.597 4.404 0.193 25961 8981 1 20 . 1 1 18 18 SER CA C 18 57.732 57.732 59.638 -1.906 25961 8982 1 20 . 1 1 18 18 SER CB C 18 63.470 63.470 64.378 -0.908 25961 8983 1 20 . 1 1 18 18 SER H H 18 8.385 8.385 7.904 0.481 25961 8984 1 20 . 1 1 19 19 GLY N N 19 109.883 109.883 109.501 0.382 25961 8985 1 20 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.118 -0.947 25961 8986 1 20 . 1 1 19 19 GLY H H 19 8.214 8.214 8.529 -0.315 25961 8987 1 20 . 1 1 20 20 CYS N N 20 122.167 122.167 119.457 2.710 25961 8988 1 20 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.692 -0.204 25961 8989 1 20 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.267 0.770 25961 8990 1 20 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.761 -2.076 25961 8991 1 20 . 1 1 20 20 CYS H H 20 8.286 8.286 8.223 0.063 25961 8992 1 20 . 1 1 21 21 THR N N 21 119.387 119.387 116.779 2.608 25961 8993 1 20 . 1 1 21 21 THR HA H 21 4.764 4.764 4.174 0.590 25961 8994 1 20 . 1 1 21 21 THR CA C 21 61.953 61.953 63.981 -2.028 25961 8995 1 20 . 1 1 21 21 THR CB C 21 68.795 68.795 67.697 1.098 25961 8996 1 20 . 1 1 21 21 THR H H 21 8.626 8.626 7.987 0.639 25961 8997 1 20 . 1 1 22 22 THR N N 22 116.611 116.611 115.696 0.915 25961 8998 1 20 . 1 1 22 22 THR HA H 22 4.513 4.513 4.698 -0.185 25961 8999 1 20 . 1 1 22 22 THR CA C 22 58.918 58.918 60.110 -1.192 25961 9000 1 20 . 1 1 22 22 THR CB C 22 71.128 71.128 71.587 -0.459 25961 9001 1 20 . 1 1 22 22 THR H H 22 8.343 8.343 8.061 0.282 25961 9002 1 20 . 1 1 23 23 LEU N N 23 122.893 122.893 121.213 1.680 25961 9003 1 20 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.123 -0.191 25961 9004 1 20 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.222 -1.735 25961 9005 1 20 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.509 -3.244 25961 9006 1 20 . 1 1 23 23 LEU H H 23 9.157 9.157 8.487 0.670 25961 9007 1 20 . 1 1 24 24 SER N N 24 116.771 116.771 117.664 -0.893 25961 9008 1 20 . 1 1 24 24 SER HA H 24 5.173 5.173 4.655 0.518 25961 9009 1 20 . 1 1 24 24 SER CA C 24 55.247 55.247 57.142 -1.895 25961 9010 1 20 . 1 1 24 24 SER CB C 24 64.841 64.841 64.695 0.145 25961 9011 1 20 . 1 1 24 24 SER H H 24 8.656 8.656 7.996 0.660 25961 9012 1 20 . 1 1 25 25 ILE N N 25 122.747 122.747 124.683 -1.936 25961 9013 1 20 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.788 -0.757 25961 9014 1 20 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.657 1.613 25961 9015 1 20 . 1 1 25 25 ILE CB C 25 34.649 34.649 40.151 -5.502 25961 9016 1 20 . 1 1 25 25 ILE H H 25 9.023 9.023 8.409 0.614 25961 9017 1 20 . 1 1 26 26 GLN N N 26 129.779 129.779 127.047 2.732 25961 9018 1 20 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.433 -0.004 25961 9019 1 20 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.955 -2.368 25961 9020 1 20 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.238 0.038 25961 9021 1 20 . 1 1 26 26 GLN H H 26 9.093 9.093 8.499 0.594 25961 9022 1 20 . 1 1 27 27 GLU N N 27 118.722 118.722 117.696 1.026 25961 9023 1 20 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.581 0.383 25961 9024 1 20 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.626 0.396 25961 9025 1 20 . 1 1 27 27 GLU H H 27 7.479 7.479 7.964 -0.485 25961 9026 1 20 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.442 0.001 25961 9027 1 20 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.890 0.265 25961 9028 1 20 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.474 1.206 25961 9029 1 20 . 1 1 29 29 THR N N 29 124.459 124.459 118.698 5.761 25961 9030 1 20 . 1 1 29 29 THR HA H 29 4.183 4.183 4.744 -0.561 25961 9031 1 20 . 1 1 29 29 THR CA C 29 62.474 62.474 62.725 -0.251 25961 9032 1 20 . 1 1 29 29 THR CB C 29 68.811 68.811 68.916 -0.105 25961 9033 1 20 . 1 1 29 29 THR H H 29 8.009 8.009 8.472 -0.463 25961 9034 1 20 . 1 1 30 30 GLN N N 30 130.053 130.053 120.299 9.754 25961 9035 1 20 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.412 -0.889 25961 9036 1 20 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.214 1.672 25961 9037 1 20 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.898 -1.593 25961 9038 1 20 . 1 1 30 30 GLN H H 30 9.321 9.321 8.276 1.045 25961 9039 1 20 . 1 1 31 31 THR N N 31 111.234 111.234 107.776 3.458 25961 9040 1 20 . 1 1 31 31 THR HA H 31 5.509 5.509 4.598 0.911 25961 9041 1 20 . 1 1 31 31 THR CA C 31 58.798 58.798 61.069 -2.271 25961 9042 1 20 . 1 1 31 31 THR CB C 31 71.374 71.374 68.837 2.537 25961 9043 1 20 . 1 1 31 31 THR H H 31 7.630 7.630 7.837 -0.207 25961 9044 1 20 . 1 1 32 32 TYR N N 32 121.998 121.998 120.916 1.082 25961 9045 1 20 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.766 0.037 25961 9046 1 20 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.574 -2.775 25961 9047 1 20 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.251 -2.533 25961 9048 1 20 . 1 1 32 32 TYR H H 32 9.359 9.359 7.417 1.942 25961 9049 1 20 . 1 1 33 33 THR N N 33 114.039 114.039 115.595 -1.556 25961 9050 1 20 . 1 1 33 33 THR HA H 33 4.390 4.390 4.699 -0.309 25961 9051 1 20 . 1 1 33 33 THR CA C 33 59.896 59.896 61.372 -1.476 25961 9052 1 20 . 1 1 33 33 THR CB C 33 69.135 69.135 72.191 -3.056 25961 9053 1 20 . 1 1 33 33 THR H H 33 7.985 7.985 8.192 -0.207 25961 9054 1 20 . 1 1 34 34 GLY N N 34 113.445 113.445 109.457 3.988 25961 9055 1 20 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.657 -1.585 25961 9056 1 20 . 1 1 34 34 GLY H H 34 8.698 8.698 8.380 0.318 25961 9057 1 20 . 1 1 35 35 SER N N 35 113.837 113.837 115.198 -1.361 25961 9058 1 20 . 1 1 35 35 SER HA H 35 4.264 4.264 4.505 -0.241 25961 9059 1 20 . 1 1 35 35 SER CA C 35 57.651 57.651 56.889 0.762 25961 9060 1 20 . 1 1 35 35 SER CB C 35 63.056 63.056 64.747 -1.691 25961 9061 1 20 . 1 1 35 35 SER H H 35 8.039 8.039 7.601 0.438 25961 9062 1 20 . 1 1 36 36 ASN N N 36 119.749 119.749 121.111 -1.362 25961 9063 1 20 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.396 0.188 25961 9064 1 20 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.931 -1.150 25961 9065 1 20 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.686 -0.500 25961 9066 1 20 . 1 1 36 36 ASN H H 36 8.767 8.767 9.069 -0.302 25961 9067 1 20 . 1 1 37 37 GLY N N 37 110.628 110.628 102.234 8.394 25961 9068 1 20 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.263 -0.678 25961 9069 1 20 . 1 1 37 37 GLY H H 37 8.496 8.496 7.782 0.714 25961 9070 1 20 . 1 1 38 38 GLY N N 38 108.654 108.654 109.536 -0.882 25961 9071 1 20 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.063 -0.963 25961 9072 1 20 . 1 1 38 38 GLY H H 38 7.955 7.955 8.106 -0.151 25961 9073 1 20 . 1 1 39 39 ALA N N 39 123.326 123.326 123.954 -0.628 25961 9074 1 20 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.350 -0.139 25961 9075 1 20 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.794 -0.956 25961 9076 1 20 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.134 -2.405 25961 9077 1 20 . 1 1 39 39 ALA H H 39 8.028 8.028 7.708 0.320 25961 9078 1 20 . 1 1 40 40 ASP N N 40 119.573 119.573 120.279 -0.706 25961 9079 1 20 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.607 -0.220 25961 9080 1 20 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.035 -0.041 25961 9081 1 20 . 1 1 40 40 ASP CB C 40 39.627 39.627 41.304 -1.677 25961 9082 1 20 . 1 1 40 40 ASP H H 40 8.261 8.261 8.277 -0.016 25961 9083 1 20 . 1 1 41 41 LEU N N 41 123.899 123.899 122.826 1.073 25961 9084 1 20 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.404 0.038 25961 9085 1 20 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.278 -2.057 25961 9086 1 20 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.625 -2.616 25961 9087 1 20 . 1 1 41 41 LEU H H 41 8.663 8.663 8.168 0.495 25961 9088 1 20 . 1 1 42 42 MET N N 42 119.684 119.684 117.820 1.864 25961 9089 1 20 . 1 1 42 42 MET HA H 42 4.730 4.730 4.674 0.056 25961 9090 1 20 . 1 1 42 42 MET CA C 42 54.695 54.695 54.904 -0.208 25961 9091 1 20 . 1 1 42 42 MET CB C 42 32.194 32.194 33.085 -0.891 25961 9092 1 20 . 1 1 42 42 MET H H 42 8.553 8.553 8.151 0.402 25961 9093 1 20 . 1 1 43 43 GLY N N 43 113.052 113.052 112.954 0.098 25961 9094 1 20 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.343 -2.965 25961 9095 1 20 . 1 1 43 43 GLY H H 43 8.618 8.618 8.608 0.010 25961 9096 1 20 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.500 0.220 25961 9097 1 20 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.765 -3.534 25961 9098 1 20 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.577 0.376 25961 9099 1 20 . 1 1 45 45 ALA N N 45 120.693 120.693 122.003 -1.310 25961 9100 1 20 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.082 -0.098 25961 9101 1 20 . 1 1 45 45 ALA CA C 45 53.804 53.804 55.033 -1.229 25961 9102 1 20 . 1 1 45 45 ALA CB C 45 17.967 17.967 17.922 0.045 25961 9103 1 20 . 1 1 45 45 ALA H H 45 7.524 7.524 8.289 -0.765 25961 9104 1 20 . 1 1 46 46 PHE N N 46 122.306 122.306 118.408 3.898 25961 9105 1 20 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.155 -0.193 25961 9106 1 20 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.819 0.507 25961 9107 1 20 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.012 -0.392 25961 9108 1 20 . 1 1 46 46 PHE H H 46 8.603 8.603 8.135 0.468 25961 9109 1 20 . 1 1 47 47 ALA N N 47 123.253 123.253 121.195 2.058 25961 9110 1 20 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.062 0.026 25961 9111 1 20 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.270 -0.319 25961 9112 1 20 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.345 -0.698 25961 9113 1 20 . 1 1 47 47 ALA H H 47 9.199 9.199 7.678 1.521 25961 9114 1 20 . 1 1 48 48 ALA N N 48 117.571 117.571 119.007 -1.436 25961 9115 1 20 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.224 0.079 25961 9116 1 20 . 1 1 48 48 ALA CA C 48 51.687 51.687 52.119 -0.432 25961 9117 1 20 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.015 -1.243 25961 9118 1 20 . 1 1 48 48 ALA H H 48 7.262 7.262 7.542 -0.280 25961 9119 1 20 . 1 1 49 49 GLY N N 49 103.229 103.229 106.125 -2.896 25961 9120 1 20 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.640 -1.021 25961 9121 1 20 . 1 1 49 49 GLY H H 49 7.461 7.461 7.932 -0.471 25961 9122 1 20 . 1 1 50 50 LEU N N 50 120.470 120.470 121.302 -0.832 25961 9123 1 20 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.025 -0.507 25961 9124 1 20 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.884 -1.472 25961 9125 1 20 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.062 -0.107 25961 9126 1 20 . 1 1 50 50 LEU H H 50 7.224 7.224 7.963 -0.739 25961 9127 1 20 . 1 1 51 51 ARG N N 51 119.645 119.645 124.328 -4.683 25961 9128 1 20 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.862 -1.371 25961 9129 1 20 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.507 -0.691 25961 9130 1 20 . 1 1 51 51 ARG H H 51 8.678 8.678 7.831 0.847 25961 9131 1 20 . 1 1 52 52 VAL N N 52 119.995 119.995 119.177 0.818 25961 9132 1 20 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.872 -0.649 25961 9133 1 20 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.869 1.349 25961 9134 1 20 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.466 -0.317 25961 9135 1 20 . 1 1 52 52 VAL H H 52 8.482 8.482 8.339 0.143 25961 9136 1 20 . 1 1 53 53 GLY N N 53 117.052 117.052 116.180 0.872 25961 9137 1 20 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.836 -1.411 25961 9138 1 20 . 1 1 53 53 GLY H H 53 9.122 9.122 8.451 0.671 25961 9139 1 20 . 1 1 54 54 ASP N N 54 124.203 124.203 122.738 1.465 25961 9140 1 20 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.830 0.003 25961 9141 1 20 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.049 0.685 25961 9142 1 20 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.409 -1.130 25961 9143 1 20 . 1 1 54 54 ASP H H 54 7.848 7.848 7.714 0.134 25961 9144 1 20 . 1 1 55 55 GLN N N 55 121.703 121.703 122.565 -0.862 25961 9145 1 20 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.423 0.444 25961 9146 1 20 . 1 1 55 55 GLN CA C 55 53.526 53.526 56.693 -3.167 25961 9147 1 20 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.965 -0.933 25961 9148 1 20 . 1 1 55 55 GLN H H 55 9.158 9.158 8.243 0.915 25961 9149 1 20 . 1 1 56 56 LEU N N 56 124.733 124.733 124.276 0.457 25961 9150 1 20 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.683 -0.496 25961 9151 1 20 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.922 1.273 25961 9152 1 20 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.620 -0.607 25961 9153 1 20 . 1 1 56 56 LEU H H 56 8.770 8.770 8.172 0.598 25961 9154 1 20 . 1 1 57 57 VAL N N 57 123.383 123.383 124.578 -1.195 25961 9155 1 20 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.398 -0.090 25961 9156 1 20 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.861 1.282 25961 9157 1 20 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.611 -0.977 25961 9158 1 20 . 1 1 57 57 VAL H H 57 8.889 8.889 8.093 0.796 25961 9159 1 20 . 1 1 58 58 ARG N N 58 118.094 118.094 118.816 -0.722 25961 9160 1 20 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.820 1.518 25961 9161 1 20 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.550 -3.338 25961 9162 1 20 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.665 5.948 25961 9163 1 20 . 1 1 58 58 ARG H H 58 8.531 8.531 7.521 1.010 25961 9164 1 20 . 1 1 59 59 PHE N N 59 123.332 123.332 116.244 7.088 25961 9165 1 20 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.602 0.333 25961 9166 1 20 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.247 0.609 25961 9167 1 20 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.963 0.008 25961 9168 1 20 . 1 1 59 59 PHE H H 59 9.295 9.295 7.595 1.700 25961 9169 1 20 . 1 1 60 60 ALA N N 60 127.537 127.537 125.663 1.874 25961 9170 1 20 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.282 -0.695 25961 9171 1 20 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.792 -0.418 25961 9172 1 20 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.994 -2.521 25961 9173 1 20 . 1 1 60 60 ALA H H 60 8.356 8.356 8.866 -0.510 25961 9174 1 20 . 1 1 61 61 GLY N N 61 103.058 103.058 113.161 -10.103 25961 9175 1 20 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.536 -0.749 25961 9176 1 20 . 1 1 61 61 GLY H H 61 9.178 9.178 8.049 1.129 25961 9177 1 20 . 1 1 62 62 TYR N N 62 120.218 120.218 115.524 4.694 25961 9178 1 20 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.199 0.431 25961 9179 1 20 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.937 -1.360 25961 9180 1 20 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.188 3.704 25961 9181 1 20 . 1 1 62 62 TYR H H 62 7.888 7.888 7.538 0.350 25961 9182 1 20 . 1 1 63 63 THR N N 63 120.933 120.933 113.083 7.850 25961 9183 1 20 . 1 1 63 63 THR HA H 63 4.479 4.479 5.006 -0.527 25961 9184 1 20 . 1 1 63 63 THR CA C 63 62.851 62.851 60.479 2.372 25961 9185 1 20 . 1 1 63 63 THR CB C 63 67.848 67.848 71.276 -3.428 25961 9186 1 20 . 1 1 63 63 THR H H 63 9.108 9.108 7.598 1.510 25961 9187 1 20 . 1 1 64 64 VAL N N 64 121.039 121.039 126.858 -5.819 25961 9188 1 20 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.803 -0.204 25961 9189 1 20 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.455 -1.588 25961 9190 1 20 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.422 -2.418 25961 9191 1 20 . 1 1 64 64 VAL H H 64 7.782 7.782 8.294 -0.512 25961 9192 1 20 . 1 1 65 65 THR N N 65 114.373 114.373 118.675 -4.302 25961 9193 1 20 . 1 1 65 65 THR HA H 65 4.452 4.452 4.374 0.078 25961 9194 1 20 . 1 1 65 65 THR CA C 65 60.536 60.536 63.076 -2.540 25961 9195 1 20 . 1 1 65 65 THR CB C 65 69.037 69.037 69.393 -0.356 25961 9196 1 20 . 1 1 65 65 THR H H 65 9.053 9.053 8.452 0.601 25961 9197 1 20 . 1 1 66 66 GLU N N 66 115.766 115.766 119.320 -3.554 25961 9198 1 20 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.525 0.038 25961 9199 1 20 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.292 -1.905 25961 9200 1 20 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.661 0.904 25961 9201 1 20 . 1 1 66 66 GLU H H 66 7.345 7.345 7.905 -0.560 25961 9202 1 20 . 1 1 67 67 LEU N N 67 124.674 124.674 118.723 5.951 25961 9203 1 20 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.340 -0.406 25961 9204 1 20 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.829 -0.294 25961 9205 1 20 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.703 0.351 25961 9206 1 20 . 1 1 67 67 LEU H H 67 8.906 8.906 8.627 0.279 25961 9207 1 20 . 1 1 68 68 ALA N N 68 120.493 120.493 121.083 -0.590 25961 9208 1 20 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.108 0.028 25961 9209 1 20 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.021 -0.347 25961 9210 1 20 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.608 -1.087 25961 9211 1 20 . 1 1 68 68 ALA H H 68 9.022 9.022 8.565 0.457 25961 9212 1 20 . 1 1 69 69 ALA N N 69 119.695 119.695 120.512 -0.817 25961 9213 1 20 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.321 -0.159 25961 9214 1 20 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.819 -0.798 25961 9215 1 20 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.657 -0.994 25961 9216 1 20 . 1 1 69 69 ALA H H 69 7.258 7.258 8.015 -0.757 25961 9217 1 20 . 1 1 70 70 PHE N N 70 119.274 119.274 118.918 0.356 25961 9218 1 20 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.335 -0.376 25961 9219 1 20 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.646 0.314 25961 9220 1 20 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.930 -1.498 25961 9221 1 20 . 1 1 70 70 PHE H H 70 7.769 7.769 7.792 -0.023 25961 9222 1 20 . 1 1 71 71 ASN N N 71 117.363 117.363 118.612 -1.249 25961 9223 1 20 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.683 -0.581 25961 9224 1 20 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.287 -1.590 25961 9225 1 20 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.820 -2.747 25961 9226 1 20 . 1 1 71 71 ASN H H 71 8.801 8.801 8.764 0.037 25961 9227 1 20 . 1 1 72 72 THR N N 72 119.746 119.746 115.410 4.336 25961 9228 1 20 . 1 1 72 72 THR HA H 72 4.220 4.220 4.186 0.034 25961 9229 1 20 . 1 1 72 72 THR CA C 72 65.927 65.927 65.638 0.289 25961 9230 1 20 . 1 1 72 72 THR CB C 72 67.600 67.600 68.728 -1.129 25961 9231 1 20 . 1 1 72 72 THR H H 72 8.109 8.109 8.052 0.057 25961 9232 1 20 . 1 1 73 73 VAL N N 73 123.156 123.156 119.656 3.500 25961 9233 1 20 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.860 -0.405 25961 9234 1 20 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.394 0.762 25961 9235 1 20 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.680 -0.344 25961 9236 1 20 . 1 1 73 73 VAL H H 73 7.744 7.744 7.480 0.264 25961 9237 1 20 . 1 1 74 74 VAL N N 74 120.420 120.420 120.668 -0.248 25961 9238 1 20 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.667 -0.301 25961 9239 1 20 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.677 0.921 25961 9240 1 20 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.893 -0.408 25961 9241 1 20 . 1 1 74 74 VAL H H 74 8.154 8.154 7.603 0.551 25961 9242 1 20 . 1 1 75 75 ALA N N 75 120.206 120.206 122.034 -1.828 25961 9243 1 20 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.037 -0.042 25961 9244 1 20 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.043 -1.044 25961 9245 1 20 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.453 -1.489 25961 9246 1 20 . 1 1 75 75 ALA H H 75 7.788 7.788 7.804 -0.016 25961 9247 1 20 . 1 1 76 76 ARG N N 76 114.701 114.701 115.515 -0.814 25961 9248 1 20 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.345 -0.260 25961 9249 1 20 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.435 -0.453 25961 9250 1 20 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.819 0.865 25961 9251 1 20 . 1 1 76 76 ARG H H 76 7.705 7.705 7.391 0.314 25961 9252 1 20 . 1 1 77 77 HIS N N 77 112.695 112.695 116.299 -3.604 25961 9253 1 20 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.484 0.326 25961 9254 1 20 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.855 -0.694 25961 9255 1 20 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.211 0.822 25961 9256 1 20 . 1 1 77 77 HIS H H 77 8.123 8.123 7.375 0.748 25961 9257 1 20 . 1 1 78 78 VAL N N 78 119.219 119.219 120.844 -1.625 25961 9258 1 20 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.775 0.118 25961 9259 1 20 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.153 -0.587 25961 9260 1 20 . 1 1 78 78 VAL CB C 78 29.128 29.128 29.705 -0.577 25961 9261 1 20 . 1 1 78 78 VAL H H 78 8.034 8.034 8.042 -0.008 25961 9262 1 20 . 1 1 79 79 ARG N N 79 126.908 126.908 126.991 -0.083 25961 9263 1 20 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.951 -1.590 25961 9264 1 20 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.733 -3.542 25961 9265 1 20 . 1 1 79 79 ARG H H 79 7.023 7.023 7.829 -0.806 25961 9266 1 20 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.539 -0.514 25961 9267 1 20 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.434 0.136 25961 9268 1 20 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.460 -0.248 25961 9269 1 20 . 1 1 81 81 SER N N 81 115.039 115.039 114.527 0.512 25961 9270 1 20 . 1 1 81 81 SER HA H 81 4.047 4.047 3.992 0.055 25961 9271 1 20 . 1 1 81 81 SER CA C 81 60.713 60.713 59.505 1.208 25961 9272 1 20 . 1 1 81 81 SER H H 81 8.210 8.210 8.488 -0.278 25961 9273 1 20 . 1 1 82 82 ALA N N 82 123.546 123.546 124.027 -0.481 25961 9274 1 20 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.541 -0.195 25961 9275 1 20 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.231 0.275 25961 9276 1 20 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.984 -0.889 25961 9277 1 20 . 1 1 82 82 ALA H H 82 7.770 7.770 7.369 0.401 25961 9278 1 20 . 1 1 83 83 SER N N 83 116.753 116.753 120.858 -4.105 25961 9279 1 20 . 1 1 83 83 SER HA H 83 5.129 5.129 4.800 0.329 25961 9280 1 20 . 1 1 83 83 SER CA C 83 56.582 56.582 57.538 -0.956 25961 9281 1 20 . 1 1 83 83 SER CB C 83 62.554 62.554 64.347 -1.793 25961 9282 1 20 . 1 1 83 83 SER H H 83 8.524 8.524 8.597 -0.073 25961 9283 1 20 . 1 1 84 84 ILE N N 84 126.985 126.985 122.597 4.388 25961 9284 1 20 . 1 1 84 84 ILE CA C 84 54.786 54.786 58.408 -3.622 25961 9285 1 20 . 1 1 84 84 ILE CB C 84 38.424 38.424 42.332 -3.908 25961 9286 1 20 . 1 1 84 84 ILE H H 84 9.599 9.599 8.138 1.461 25961 9287 1 20 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.504 0.441 25961 9288 1 20 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.664 -1.110 25961 9289 1 20 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.202 0.225 25961 9290 1 20 . 1 1 86 86 VAL N N 86 123.811 123.811 124.832 -1.021 25961 9291 1 20 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.217 0.632 25961 9292 1 20 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.195 -1.422 25961 9293 1 20 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.924 -0.280 25961 9294 1 20 . 1 1 86 86 VAL H H 86 9.033 9.033 7.981 1.052 25961 9295 1 20 . 1 1 87 87 VAL N N 87 127.839 127.839 126.881 0.958 25961 9296 1 20 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.487 0.485 25961 9297 1 20 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.010 0.683 25961 9298 1 20 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.495 -0.077 25961 9299 1 20 . 1 1 87 87 VAL H H 87 9.132 9.132 8.231 0.901 25961 9300 1 20 . 1 1 88 88 PHE N N 88 127.301 127.301 126.248 1.053 25961 9301 1 20 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.618 0.000 25961 9302 1 20 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.752 -0.541 25961 9303 1 20 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.492 -1.490 25961 9304 1 20 . 1 1 88 88 PHE H H 88 9.248 9.248 7.842 1.406 25961 9305 1 20 . 1 1 89 89 SER N N 89 113.734 113.734 114.559 -0.825 25961 9306 1 20 . 1 1 89 89 SER HA H 89 5.336 5.336 5.006 0.330 25961 9307 1 20 . 1 1 89 89 SER CA C 89 54.452 54.452 56.624 -2.172 25961 9308 1 20 . 1 1 89 89 SER CB C 89 64.474 64.474 66.230 -1.756 25961 9309 1 20 . 1 1 89 89 SER H H 89 9.689 9.689 8.251 1.438 25961 9310 1 20 . 1 1 90 90 ARG N N 90 128.114 128.114 125.305 2.809 25961 9311 1 20 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.463 0.284 25961 9312 1 20 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.361 -1.239 25961 9313 1 20 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.623 1.713 25961 9314 1 20 . 1 1 90 90 ARG H H 90 8.561 8.561 8.029 0.532 25961 9315 1 20 . 1 1 91 91 ASP N N 91 129.790 129.790 119.957 9.833 25961 9316 1 20 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.344 -0.075 25961 9317 1 20 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.250 -0.749 25961 9318 1 20 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.218 -0.137 25961 9319 1 20 . 1 1 91 91 ASP H H 91 9.461 9.461 8.309 1.152 25961 9320 1 20 . 1 1 92 92 GLY N N 92 102.404 102.404 102.857 -0.453 25961 9321 1 20 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.984 -0.679 25961 9322 1 20 . 1 1 92 92 GLY H H 92 8.391 8.391 8.067 0.324 25961 9323 1 20 . 1 1 93 93 VAL N N 93 123.090 123.090 120.258 2.832 25961 9324 1 20 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.088 -0.086 25961 9325 1 20 . 1 1 93 93 VAL CA C 93 61.266 61.266 61.411 -0.145 25961 9326 1 20 . 1 1 93 93 VAL CB C 93 31.818 31.818 33.535 -1.717 25961 9327 1 20 . 1 1 93 93 VAL H H 93 7.682 7.682 7.712 -0.030 25961 9328 1 20 . 1 1 94 94 VAL N N 94 128.414 128.414 126.141 2.273 25961 9329 1 20 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.854 0.280 25961 9330 1 20 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.877 0.463 25961 9331 1 20 . 1 1 94 94 VAL CB C 94 30.116 30.116 31.904 -1.788 25961 9332 1 20 . 1 1 94 94 VAL H H 94 8.400 8.400 8.240 0.160 25961 9333 1 20 . 1 1 95 95 MET N N 95 129.196 129.196 128.825 0.371 25961 9334 1 20 . 1 1 95 95 MET HA H 95 4.352 4.352 4.718 -0.366 25961 9335 1 20 . 1 1 95 95 MET CA C 95 53.674 53.674 54.249 -0.575 25961 9336 1 20 . 1 1 95 95 MET CB C 95 36.104 36.104 36.328 -0.224 25961 9337 1 20 . 1 1 95 95 MET H H 95 9.100 9.100 8.133 0.967 25961 9338 1 20 . 1 1 96 96 SER N N 96 111.540 111.540 116.663 -5.123 25961 9339 1 20 . 1 1 96 96 SER HA H 96 5.469 5.469 5.302 0.167 25961 9340 1 20 . 1 1 96 96 SER CA C 96 55.830 55.830 57.235 -1.405 25961 9341 1 20 . 1 1 96 96 SER CB C 96 65.471 65.471 66.009 -0.538 25961 9342 1 20 . 1 1 96 96 SER H H 96 8.004 8.004 8.219 -0.215 25961 9343 1 20 . 1 1 97 97 ALA N N 97 124.079 124.079 127.944 -3.865 25961 9344 1 20 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.843 -0.055 25961 9345 1 20 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.074 -1.675 25961 9346 1 20 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.426 0.118 25961 9347 1 20 . 1 1 97 97 ALA H H 97 9.145 9.145 8.482 0.663 25961 9348 1 20 . 1 1 98 98 THR N N 98 117.342 117.342 118.611 -1.269 25961 9349 1 20 . 1 1 98 98 THR HA H 98 4.823 4.823 4.320 0.503 25961 9350 1 20 . 1 1 98 98 THR CA C 98 61.053 61.053 63.284 -2.231 25961 9351 1 20 . 1 1 98 98 THR CB C 98 69.913 69.913 68.952 0.961 25961 9352 1 20 . 1 1 98 98 THR H H 98 8.754 8.754 8.429 0.325 25961 9353 1 20 . 1 1 99 99 ILE N N 99 125.689 125.689 125.501 0.188 25961 9354 1 20 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.546 -0.435 25961 9355 1 20 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.115 -0.746 25961 9356 1 20 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.816 -0.126 25961 9357 1 20 . 1 1 99 99 ILE H H 99 8.868 8.868 7.949 0.919 25961 9358 1 20 . 1 1 100 100 VAL N N 100 129.871 129.871 127.628 2.243 25961 9359 1 20 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.061 0.605 25961 9360 1 20 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.681 -0.814 25961 9361 1 20 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.806 -2.196 25961 9362 1 20 . 1 1 100 100 VAL H H 100 8.818 8.818 8.557 0.261 25961 9363 1 20 . 1 1 101 101 VAL N N 101 128.299 128.299 127.376 0.923 25961 9364 1 20 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.166 -0.797 25961 9365 1 20 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.013 2.314 25961 9366 1 20 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.599 -1.625 25961 9367 1 20 . 1 1 101 101 VAL H H 101 8.795 8.795 7.622 1.173 25961 9368 1 20 . 1 1 102 102 GLY N N 102 115.466 115.466 113.734 1.732 25961 9369 1 20 . 1 1 102 102 GLY CA C 102 43.680 43.680 43.985 -0.305 25961 9370 1 20 . 1 1 102 102 GLY H H 102 8.393 8.393 8.633 -0.240 25961 9371 1 20 . 1 1 103 103 GLU N N 103 119.459 119.459 125.872 -6.413 25961 9372 1 20 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.365 0.590 25961 9373 1 20 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.601 -2.855 25961 9374 1 20 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.192 2.009 25961 9375 1 20 . 1 1 103 103 GLU H H 103 8.386 8.386 8.627 -0.241 25961 9376 1 20 . 1 1 104 104 LEU N N 104 123.881 123.881 119.616 4.265 25961 9377 1 20 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.570 0.130 25961 9378 1 20 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.813 -1.246 25961 9379 1 20 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.919 3.139 25961 9380 1 20 . 1 1 104 104 LEU H H 104 8.735 8.735 7.899 0.836 25961 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 97 3.465 -0.550 3.439 25961 2 1 1 "Average Difference" HA 107 0.390 -0.016 0.391 25961 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25961 4 1 1 "Average Difference" CA 101 1.551 0.818 1.325 25961 5 1 1 "Average Difference" CB 89 1.649 0.671 1.515 25961 6 1 1 "Average Difference" HN 97 0.676 -0.344 0.585 25961 7 1 2 "Average Difference" N 97 3.828 -0.569 3.805 25961 8 1 2 "Average Difference" HA 107 0.397 -0.030 0.398 25961 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25961 10 1 2 "Average Difference" CA 101 1.506 0.776 1.297 25961 11 1 2 "Average Difference" CB 89 1.774 0.605 1.677 25961 12 1 2 "Average Difference" HN 97 0.660 -0.320 0.581 25961 13 1 3 "Average Difference" N 97 3.675 -0.504 3.659 25961 14 1 3 "Average Difference" HA 107 0.405 -0.017 0.407 25961 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25961 16 1 3 "Average Difference" CA 101 1.559 0.780 1.357 25961 17 1 3 "Average Difference" CB 89 1.650 0.544 1.566 25961 18 1 3 "Average Difference" HN 97 0.667 -0.311 0.594 25961 19 1 4 "Average Difference" N 97 3.843 -0.574 3.820 25961 20 1 4 "Average Difference" HA 107 0.411 -0.016 0.412 25961 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25961 22 1 4 "Average Difference" CA 101 1.546 0.790 1.336 25961 23 1 4 "Average Difference" CB 89 1.729 0.613 1.625 25961 24 1 4 "Average Difference" HN 97 0.649 -0.330 0.561 25961 25 1 5 "Average Difference" N 97 3.731 -0.646 3.694 25961 26 1 5 "Average Difference" HA 107 0.414 -0.031 0.415 25961 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25961 28 1 5 "Average Difference" CA 101 1.501 0.774 1.292 25961 29 1 5 "Average Difference" CB 89 1.785 0.747 1.631 25961 30 1 5 "Average Difference" HN 97 0.684 -0.336 0.599 25961 31 1 6 "Average Difference" N 97 3.748 -0.645 3.711 25961 32 1 6 "Average Difference" HA 107 0.404 -0.017 0.405 25961 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25961 34 1 6 "Average Difference" CA 101 1.534 0.796 1.317 25961 35 1 6 "Average Difference" CB 89 1.722 0.650 1.603 25961 36 1 6 "Average Difference" HN 97 0.666 -0.337 0.577 25961 37 1 7 "Average Difference" N 97 3.545 -0.521 3.524 25961 38 1 7 "Average Difference" HA 107 0.402 -0.026 0.403 25961 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25961 40 1 7 "Average Difference" CA 101 1.533 0.748 1.345 25961 41 1 7 "Average Difference" CB 89 1.620 0.668 1.484 25961 42 1 7 "Average Difference" HN 97 0.655 -0.335 0.565 25961 43 1 8 "Average Difference" N 97 3.327 -0.329 3.328 25961 44 1 8 "Average Difference" HA 107 0.396 -0.006 0.398 25961 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25961 46 1 8 "Average Difference" CA 101 1.528 0.849 1.277 25961 47 1 8 "Average Difference" CB 89 1.629 0.645 1.504 25961 48 1 8 "Average Difference" HN 97 0.632 -0.307 0.555 25961 49 1 9 "Average Difference" N 97 3.449 -0.411 3.442 25961 50 1 9 "Average Difference" HA 107 0.418 -0.033 0.418 25961 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25961 52 1 9 "Average Difference" CA 101 1.493 0.870 1.220 25961 53 1 9 "Average Difference" CB 89 1.642 0.649 1.517 25961 54 1 9 "Average Difference" HN 97 0.653 -0.311 0.577 25961 55 1 10 "Average Difference" N 97 3.566 -0.527 3.546 25961 56 1 10 "Average Difference" HA 107 0.421 -0.010 0.423 25961 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25961 58 1 10 "Average Difference" CA 101 1.573 0.883 1.309 25961 59 1 10 "Average Difference" CB 89 1.671 0.668 1.541 25961 60 1 10 "Average Difference" HN 97 0.688 -0.319 0.613 25961 61 1 11 "Average Difference" N 97 3.634 -0.449 3.625 25961 62 1 11 "Average Difference" HA 107 0.399 -0.031 0.400 25961 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25961 64 1 11 "Average Difference" CA 101 1.536 0.809 1.313 25961 65 1 11 "Average Difference" CB 89 1.746 0.627 1.639 25961 66 1 11 "Average Difference" HN 97 0.660 -0.333 0.572 25961 67 1 12 "Average Difference" N 97 3.743 -0.656 3.704 25961 68 1 12 "Average Difference" HA 107 0.409 -0.023 0.410 25961 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25961 70 1 12 "Average Difference" CA 101 1.502 0.822 1.263 25961 71 1 12 "Average Difference" CB 89 1.766 0.713 1.624 25961 72 1 12 "Average Difference" HN 97 0.681 -0.303 0.613 25961 73 1 13 "Average Difference" N 97 3.909 -0.683 3.869 25961 74 1 13 "Average Difference" HA 107 0.418 -0.009 0.420 25961 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25961 76 1 13 "Average Difference" CA 101 1.512 0.837 1.266 25961 77 1 13 "Average Difference" CB 89 1.710 0.662 1.585 25961 78 1 13 "Average Difference" HN 97 0.682 -0.329 0.600 25961 79 1 14 "Average Difference" N 97 3.415 -0.439 3.404 25961 80 1 14 "Average Difference" HA 107 0.403 -0.037 0.404 25961 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25961 82 1 14 "Average Difference" CA 101 1.534 0.873 1.268 25961 83 1 14 "Average Difference" CB 89 1.741 0.627 1.634 25961 84 1 14 "Average Difference" HN 97 0.657 -0.317 0.579 25961 85 1 15 "Average Difference" N 97 3.499 -0.589 3.467 25961 86 1 15 "Average Difference" HA 107 0.392 -0.025 0.394 25961 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25961 88 1 15 "Average Difference" CA 101 1.478 0.806 1.245 25961 89 1 15 "Average Difference" CB 89 1.750 0.626 1.643 25961 90 1 15 "Average Difference" HN 97 0.661 -0.332 0.574 25961 91 1 16 "Average Difference" N 97 3.397 -0.398 3.391 25961 92 1 16 "Average Difference" HA 107 0.403 -0.017 0.405 25961 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25961 94 1 16 "Average Difference" CA 101 1.484 0.927 1.165 25961 95 1 16 "Average Difference" CB 89 1.671 0.621 1.560 25961 96 1 16 "Average Difference" HN 97 0.680 -0.296 0.616 25961 97 1 17 "Average Difference" N 97 3.629 -0.469 3.617 25961 98 1 17 "Average Difference" HA 107 0.401 -0.028 0.402 25961 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25961 100 1 17 "Average Difference" CA 101 1.605 0.879 1.350 25961 101 1 17 "Average Difference" CB 89 1.750 0.662 1.629 25961 102 1 17 "Average Difference" HN 97 0.646 -0.313 0.569 25961 103 1 18 "Average Difference" N 97 3.421 -0.442 3.410 25961 104 1 18 "Average Difference" HA 107 0.396 -0.001 0.397 25961 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25961 106 1 18 "Average Difference" CA 101 1.579 0.752 1.396 25961 107 1 18 "Average Difference" CB 89 1.737 0.586 1.644 25961 108 1 18 "Average Difference" HN 97 0.656 -0.317 0.577 25961 109 1 19 "Average Difference" N 97 3.694 -0.739 3.638 25961 110 1 19 "Average Difference" HA 107 0.421 -0.001 0.423 25961 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25961 112 1 19 "Average Difference" CA 101 1.536 0.790 1.323 25961 113 1 19 "Average Difference" CB 89 1.740 0.676 1.613 25961 114 1 19 "Average Difference" HN 97 0.656 -0.315 0.578 25961 115 1 20 "Average Difference" N 97 3.520 -0.423 3.513 25961 116 1 20 "Average Difference" HA 107 0.403 0.005 0.405 25961 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25961 118 1 20 "Average Difference" CA 101 1.464 0.758 1.258 25961 119 1 20 "Average Difference" CB 89 1.781 0.662 1.663 25961 120 1 20 "Average Difference" HN 97 0.677 -0.324 0.597 25961 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 25961 _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 LEU N N 2 122.611 122.611 116.619 5.991 25961 2 1 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.792 -0.400 25961 3 1 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.002 -0.670 25961 4 1 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.912 -3.595 25961 5 1 . 1 1 2 2 LEU H H 2 8.535 8.535 8.362 0.173 25961 6 1 . 1 1 3 3 THR N N 3 112.475 112.475 114.007 -1.532 25961 7 1 . 1 1 3 3 THR HA H 3 4.777 4.777 4.592 0.185 25961 8 1 . 1 1 3 3 THR CA C 3 59.259 59.259 60.237 -0.978 25961 9 1 . 1 1 3 3 THR CB C 3 70.185 70.185 70.694 -0.509 25961 10 1 . 1 1 3 3 THR H H 3 7.903 7.903 8.277 -0.374 25961 11 1 . 1 1 4 4 ARG N N 4 120.183 120.183 122.729 -2.546 25961 12 1 . 1 1 4 4 ARG H H 4 8.809 8.809 8.514 0.295 25961 13 1 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.448 -0.076 25961 14 1 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.633 1.384 25961 15 1 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.753 0.835 25961 16 1 . 1 1 6 6 TYR N N 6 120.727 120.727 122.228 -1.501 25961 17 1 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.632 0.002 25961 18 1 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.451 -1.375 25961 19 1 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.187 -0.133 25961 20 1 . 1 1 6 6 TYR H H 6 7.530 7.530 8.047 -0.517 25961 21 1 . 1 1 7 7 LEU N N 7 126.575 126.575 122.192 4.383 25961 22 1 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.856 -0.449 25961 23 1 . 1 1 7 7 LEU H H 7 8.500 8.500 8.177 0.323 25961 24 1 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.887 0.820 25961 25 1 . 1 1 9 9 PHE N N 9 114.612 114.612 116.045 -1.433 25961 26 1 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.809 0.549 25961 27 1 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.182 -0.920 25961 28 1 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.816 -1.362 25961 29 1 . 1 1 9 9 PHE H H 9 7.102 7.102 7.375 -0.273 25961 30 1 . 1 1 10 10 ARG N N 10 117.800 117.800 120.702 -2.902 25961 31 1 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.638 0.033 25961 32 1 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.887 -1.488 25961 33 1 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.930 0.885 25961 34 1 . 1 1 10 10 ARG H H 10 8.206 8.206 8.549 -0.343 25961 35 1 . 1 1 11 11 VAL N N 11 117.216 117.216 118.925 -1.709 25961 36 1 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.054 0.113 25961 37 1 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.967 -1.777 25961 38 1 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.863 -0.988 25961 39 1 . 1 1 11 11 VAL H H 11 8.601 8.601 8.347 0.254 25961 40 1 . 1 1 12 12 ALA N N 12 123.025 123.025 130.558 -7.533 25961 41 1 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.810 -0.230 25961 42 1 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.788 -1.245 25961 43 1 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.812 0.970 25961 44 1 . 1 1 12 12 ALA H H 12 8.861 8.861 8.122 0.739 25961 45 1 . 1 1 13 13 VAL N N 13 121.395 121.395 124.130 -2.735 25961 46 1 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.139 0.412 25961 47 1 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.423 -1.140 25961 48 1 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.448 -0.754 25961 49 1 . 1 1 13 13 VAL H H 13 8.585 8.585 8.669 -0.084 25961 50 1 . 1 1 14 14 GLY N N 14 117.546 117.546 116.357 1.189 25961 51 1 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.300 -1.916 25961 52 1 . 1 1 14 14 GLY H H 14 8.789 8.789 8.226 0.563 25961 53 1 . 1 1 15 15 ARG N N 15 120.075 120.075 120.372 -0.297 25961 54 1 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.734 0.376 25961 55 1 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.992 -1.099 25961 56 1 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.525 0.231 25961 57 1 . 1 1 15 15 ARG H H 15 8.299 8.299 8.355 -0.056 25961 58 1 . 1 1 16 16 ASP N N 16 123.872 123.872 121.026 2.846 25961 59 1 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.780 -0.035 25961 60 1 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.801 -1.430 25961 61 1 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.786 -1.034 25961 62 1 . 1 1 16 16 ASP H H 16 8.619 8.619 8.432 0.187 25961 63 1 . 1 1 17 17 SER N N 17 114.309 114.309 114.177 0.132 25961 64 1 . 1 1 17 17 SER HA H 17 4.196 4.196 4.274 -0.078 25961 65 1 . 1 1 17 17 SER CA C 17 59.950 59.950 60.356 -0.406 25961 66 1 . 1 1 17 17 SER CB C 17 61.825 61.825 63.470 -1.645 25961 67 1 . 1 1 17 17 SER H H 17 8.624 8.624 8.338 0.286 25961 68 1 . 1 1 18 18 SER N N 18 117.903 117.903 115.855 2.048 25961 69 1 . 1 1 18 18 SER HA H 18 4.597 4.597 4.428 0.169 25961 70 1 . 1 1 18 18 SER CA C 18 57.732 57.732 59.292 -1.560 25961 71 1 . 1 1 18 18 SER CB C 18 63.470 63.470 64.134 -0.663 25961 72 1 . 1 1 18 18 SER H H 18 8.385 8.385 7.823 0.562 25961 73 1 . 1 1 19 19 GLY N N 19 109.883 109.883 109.333 0.550 25961 74 1 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.972 -0.801 25961 75 1 . 1 1 19 19 GLY H H 19 8.214 8.214 8.406 -0.192 25961 76 1 . 1 1 20 20 CYS N N 20 122.167 122.167 118.965 3.202 25961 77 1 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.679 -0.191 25961 78 1 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.735 0.302 25961 79 1 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.885 -2.199 25961 80 1 . 1 1 20 20 CYS H H 20 8.286 8.286 8.213 0.073 25961 81 1 . 1 1 21 21 THR N N 21 119.387 119.387 115.338 4.049 25961 82 1 . 1 1 21 21 THR HA H 21 4.764 4.764 4.020 0.744 25961 83 1 . 1 1 21 21 THR CA C 21 61.953 61.953 63.668 -1.715 25961 84 1 . 1 1 21 21 THR CB C 21 68.795 68.795 67.511 1.284 25961 85 1 . 1 1 21 21 THR H H 21 8.626 8.626 8.009 0.617 25961 86 1 . 1 1 22 22 THR N N 22 116.611 116.611 115.669 0.942 25961 87 1 . 1 1 22 22 THR HA H 22 4.513 4.513 4.738 -0.225 25961 88 1 . 1 1 22 22 THR CA C 22 58.918 58.918 59.943 -1.025 25961 89 1 . 1 1 22 22 THR CB C 22 71.128 71.128 71.153 -0.025 25961 90 1 . 1 1 22 22 THR H H 22 8.343 8.343 7.960 0.383 25961 91 1 . 1 1 23 23 LEU N N 23 122.893 122.893 123.641 -0.748 25961 92 1 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.015 -0.083 25961 93 1 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.048 -1.561 25961 94 1 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.617 -2.352 25961 95 1 . 1 1 23 23 LEU H H 23 9.157 9.157 8.607 0.550 25961 96 1 . 1 1 24 24 SER N N 24 116.771 116.771 115.829 0.942 25961 97 1 . 1 1 24 24 SER HA H 24 5.173 5.173 4.725 0.448 25961 98 1 . 1 1 24 24 SER CA C 24 55.247 55.247 57.115 -1.868 25961 99 1 . 1 1 24 24 SER CB C 24 64.841 64.841 64.904 -0.063 25961 100 1 . 1 1 24 24 SER H H 24 8.656 8.656 7.989 0.667 25961 101 1 . 1 1 25 25 ILE N N 25 122.747 122.747 123.817 -1.070 25961 102 1 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.668 -0.637 25961 103 1 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.779 1.491 25961 104 1 . 1 1 25 25 ILE CB C 25 34.649 34.649 38.626 -3.976 25961 105 1 . 1 1 25 25 ILE H H 25 9.023 9.023 8.236 0.787 25961 106 1 . 1 1 26 26 GLN N N 26 129.779 129.779 125.960 3.819 25961 107 1 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.395 0.034 25961 108 1 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.139 -2.552 25961 109 1 . 1 1 26 26 GLN CB C 26 30.276 30.276 30.067 0.209 25961 110 1 . 1 1 26 26 GLN H H 26 9.093 9.093 8.537 0.556 25961 111 1 . 1 1 27 27 GLU N N 27 118.722 118.722 117.738 0.984 25961 112 1 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.737 0.227 25961 113 1 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.028 -0.006 25961 114 1 . 1 1 27 27 GLU H H 27 7.479 7.479 7.983 -0.504 25961 115 1 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.393 0.050 25961 116 1 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.289 -0.134 25961 117 1 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.684 0.996 25961 118 1 . 1 1 29 29 THR N N 29 124.459 124.459 118.444 6.015 25961 119 1 . 1 1 29 29 THR HA H 29 4.183 4.183 4.553 -0.370 25961 120 1 . 1 1 29 29 THR CA C 29 62.474 62.474 62.405 0.069 25961 121 1 . 1 1 29 29 THR CB C 29 68.811 68.811 69.049 -0.238 25961 122 1 . 1 1 29 29 THR H H 29 8.009 8.009 8.491 -0.482 25961 123 1 . 1 1 30 30 GLN N N 30 130.053 130.053 119.698 10.355 25961 124 1 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.419 -0.897 25961 125 1 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.048 1.838 25961 126 1 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.544 -1.239 25961 127 1 . 1 1 30 30 GLN H H 30 9.321 9.321 8.385 0.936 25961 128 1 . 1 1 31 31 THR N N 31 111.234 111.234 108.151 3.083 25961 129 1 . 1 1 31 31 THR HA H 31 5.509 5.509 4.523 0.987 25961 130 1 . 1 1 31 31 THR CA C 31 58.798 58.798 61.112 -2.314 25961 131 1 . 1 1 31 31 THR CB C 31 71.374 71.374 69.018 2.356 25961 132 1 . 1 1 31 31 THR H H 31 7.630 7.630 7.777 -0.147 25961 133 1 . 1 1 32 32 TYR N N 32 121.998 121.998 121.032 0.966 25961 134 1 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.718 0.085 25961 135 1 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.709 -2.910 25961 136 1 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.022 -2.304 25961 137 1 . 1 1 32 32 TYR H H 32 9.359 9.359 7.465 1.894 25961 138 1 . 1 1 33 33 THR N N 33 114.039 114.039 115.164 -1.125 25961 139 1 . 1 1 33 33 THR HA H 33 4.390 4.390 4.619 -0.229 25961 140 1 . 1 1 33 33 THR CA C 33 59.896 59.896 61.384 -1.488 25961 141 1 . 1 1 33 33 THR CB C 33 69.135 69.135 72.025 -2.890 25961 142 1 . 1 1 33 33 THR H H 33 7.985 7.985 8.034 -0.049 25961 143 1 . 1 1 34 34 GLY N N 34 113.445 113.445 109.407 4.038 25961 144 1 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.784 -1.712 25961 145 1 . 1 1 34 34 GLY H H 34 8.698 8.698 8.488 0.210 25961 146 1 . 1 1 35 35 SER N N 35 113.837 113.837 116.970 -3.133 25961 147 1 . 1 1 35 35 SER HA H 35 4.264 4.264 4.581 -0.317 25961 148 1 . 1 1 35 35 SER CA C 35 57.651 57.651 57.350 0.301 25961 149 1 . 1 1 35 35 SER CB C 35 63.056 63.056 64.332 -1.276 25961 150 1 . 1 1 35 35 SER H H 35 8.039 8.039 7.896 0.143 25961 151 1 . 1 1 36 36 ASN N N 36 119.749 119.749 122.282 -2.533 25961 152 1 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.429 0.155 25961 153 1 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.201 -1.420 25961 154 1 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.859 -0.673 25961 155 1 . 1 1 36 36 ASN H H 36 8.767 8.767 9.082 -0.315 25961 156 1 . 1 1 37 37 GLY N N 37 110.628 110.628 103.434 7.194 25961 157 1 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.330 -0.745 25961 158 1 . 1 1 37 37 GLY H H 37 8.496 8.496 7.821 0.675 25961 159 1 . 1 1 38 38 GLY N N 38 108.654 108.654 109.270 -0.616 25961 160 1 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.312 -1.212 25961 161 1 . 1 1 38 38 GLY H H 38 7.955 7.955 8.112 -0.157 25961 162 1 . 1 1 39 39 ALA N N 39 123.326 123.326 124.282 -0.956 25961 163 1 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.387 -0.176 25961 164 1 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.595 -0.757 25961 165 1 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.584 -1.855 25961 166 1 . 1 1 39 39 ALA H H 39 8.028 8.028 7.697 0.331 25961 167 1 . 1 1 40 40 ASP N N 40 119.573 119.573 120.203 -0.630 25961 168 1 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.532 -0.145 25961 169 1 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.066 -0.072 25961 170 1 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.708 -1.081 25961 171 1 . 1 1 40 40 ASP H H 40 8.261 8.261 8.223 0.038 25961 172 1 . 1 1 41 41 LEU N N 41 123.899 123.899 122.699 1.200 25961 173 1 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.424 0.018 25961 174 1 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.629 -2.408 25961 175 1 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.573 -2.564 25961 176 1 . 1 1 41 41 LEU H H 41 8.663 8.663 7.973 0.690 25961 177 1 . 1 1 42 42 MET N N 42 119.684 119.684 118.469 1.215 25961 178 1 . 1 1 42 42 MET HA H 42 4.730 4.730 4.728 0.002 25961 179 1 . 1 1 42 42 MET CA C 42 54.695 54.695 55.064 -0.368 25961 180 1 . 1 1 42 42 MET CB C 42 32.194 32.194 33.127 -0.933 25961 181 1 . 1 1 42 42 MET H H 42 8.553 8.553 8.213 0.340 25961 182 1 . 1 1 43 43 GLY N N 43 113.052 113.052 112.052 1.000 25961 183 1 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.403 -3.024 25961 184 1 . 1 1 43 43 GLY H H 43 8.618 8.618 8.659 -0.041 25961 185 1 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.460 0.260 25961 186 1 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.634 -3.403 25961 187 1 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.537 0.416 25961 188 1 . 1 1 45 45 ALA N N 45 120.693 120.693 121.774 -1.081 25961 189 1 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.155 -0.171 25961 190 1 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.757 -0.953 25961 191 1 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.200 -0.233 25961 192 1 . 1 1 45 45 ALA H H 45 7.524 7.524 8.264 -0.740 25961 193 1 . 1 1 46 46 PHE N N 46 122.306 122.306 118.204 4.102 25961 194 1 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.240 -0.278 25961 195 1 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.384 0.942 25961 196 1 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.099 -0.479 25961 197 1 . 1 1 46 46 PHE H H 46 8.603 8.603 7.999 0.604 25961 198 1 . 1 1 47 47 ALA N N 47 123.253 123.253 121.353 1.900 25961 199 1 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.071 0.017 25961 200 1 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.260 -0.309 25961 201 1 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.228 -0.581 25961 202 1 . 1 1 47 47 ALA H H 47 9.199 9.199 7.718 1.481 25961 203 1 . 1 1 48 48 ALA N N 48 117.571 117.571 119.181 -1.611 25961 204 1 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.270 0.033 25961 205 1 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.952 -0.265 25961 206 1 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.092 -1.320 25961 207 1 . 1 1 48 48 ALA H H 48 7.262 7.262 7.495 -0.233 25961 208 1 . 1 1 49 49 GLY N N 49 103.229 103.229 106.446 -3.217 25961 209 1 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.677 -1.058 25961 210 1 . 1 1 49 49 GLY H H 49 7.461 7.461 7.677 -0.216 25961 211 1 . 1 1 50 50 LEU N N 50 120.470 120.470 121.635 -1.165 25961 212 1 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.141 -0.623 25961 213 1 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.699 -1.287 25961 214 1 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.047 -0.092 25961 215 1 . 1 1 50 50 LEU H H 50 7.224 7.224 7.733 -0.509 25961 216 1 . 1 1 51 51 ARG N N 51 119.645 119.645 123.936 -4.291 25961 217 1 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.051 -1.560 25961 218 1 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.343 -0.527 25961 219 1 . 1 1 51 51 ARG H H 51 8.678 8.678 8.188 0.490 25961 220 1 . 1 1 52 52 VAL N N 52 119.995 119.995 119.130 0.865 25961 221 1 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.822 -0.599 25961 222 1 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.189 1.029 25961 223 1 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.198 -1.049 25961 224 1 . 1 1 52 52 VAL H H 52 8.482 8.482 8.407 0.075 25961 225 1 . 1 1 53 53 GLY N N 53 117.052 117.052 115.804 1.248 25961 226 1 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.807 -1.382 25961 227 1 . 1 1 53 53 GLY H H 53 9.122 9.122 8.663 0.459 25961 228 1 . 1 1 54 54 ASP N N 54 124.203 124.203 123.558 0.645 25961 229 1 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.781 0.052 25961 230 1 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.488 0.246 25961 231 1 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.422 -1.143 25961 232 1 . 1 1 54 54 ASP H H 54 7.848 7.848 7.789 0.059 25961 233 1 . 1 1 55 55 GLN N N 55 121.703 121.703 121.430 0.273 25961 234 1 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.483 0.384 25961 235 1 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.615 -2.089 25961 236 1 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.072 -1.040 25961 237 1 . 1 1 55 55 GLN H H 55 9.158 9.158 8.073 1.085 25961 238 1 . 1 1 56 56 LEU N N 56 124.733 124.733 123.751 0.982 25961 239 1 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.366 -0.179 25961 240 1 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.491 0.704 25961 241 1 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.106 -0.093 25961 242 1 . 1 1 56 56 LEU H H 56 8.770 8.770 8.469 0.301 25961 243 1 . 1 1 57 57 VAL N N 57 123.383 123.383 121.842 1.541 25961 244 1 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.348 -0.040 25961 245 1 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.979 1.164 25961 246 1 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.493 -0.858 25961 247 1 . 1 1 57 57 VAL H H 57 8.889 8.889 7.951 0.938 25961 248 1 . 1 1 58 58 ARG N N 58 118.094 118.094 118.597 -0.503 25961 249 1 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.851 1.487 25961 250 1 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.325 -3.113 25961 251 1 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.589 6.024 25961 252 1 . 1 1 58 58 ARG H H 58 8.531 8.531 7.586 0.945 25961 253 1 . 1 1 59 59 PHE N N 59 123.332 123.332 116.691 6.641 25961 254 1 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.608 0.327 25961 255 1 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.080 0.776 25961 256 1 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.445 0.526 25961 257 1 . 1 1 59 59 PHE H H 59 9.295 9.295 7.597 1.698 25961 258 1 . 1 1 60 60 ALA N N 60 127.537 127.537 125.862 1.675 25961 259 1 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.237 -0.650 25961 260 1 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.697 -0.323 25961 261 1 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.871 -2.398 25961 262 1 . 1 1 60 60 ALA H H 60 8.356 8.356 8.552 -0.196 25961 263 1 . 1 1 61 61 GLY N N 61 103.058 103.058 112.082 -9.024 25961 264 1 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.645 -0.858 25961 265 1 . 1 1 61 61 GLY H H 61 9.178 9.178 7.990 1.188 25961 266 1 . 1 1 62 62 TYR N N 62 120.218 120.218 116.647 3.571 25961 267 1 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.126 0.504 25961 268 1 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.348 -1.771 25961 269 1 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.418 3.475 25961 270 1 . 1 1 62 62 TYR H H 62 7.888 7.888 7.600 0.288 25961 271 1 . 1 1 63 63 THR N N 63 120.933 120.933 112.405 8.528 25961 272 1 . 1 1 63 63 THR HA H 63 4.479 4.479 5.004 -0.525 25961 273 1 . 1 1 63 63 THR CA C 63 62.851 62.851 60.472 2.378 25961 274 1 . 1 1 63 63 THR CB C 63 67.848 67.848 71.701 -3.853 25961 275 1 . 1 1 63 63 THR H H 63 9.108 9.108 7.660 1.448 25961 276 1 . 1 1 64 64 VAL N N 64 121.039 121.039 124.852 -3.813 25961 277 1 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.636 -0.037 25961 278 1 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.606 -1.739 25961 279 1 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.196 -2.192 25961 280 1 . 1 1 64 64 VAL H H 64 7.782 7.782 8.292 -0.510 25961 281 1 . 1 1 65 65 THR N N 65 114.373 114.373 117.615 -3.242 25961 282 1 . 1 1 65 65 THR HA H 65 4.452 4.452 4.393 0.059 25961 283 1 . 1 1 65 65 THR CA C 65 60.536 60.536 63.299 -2.763 25961 284 1 . 1 1 65 65 THR CB C 65 69.037 69.037 69.441 -0.404 25961 285 1 . 1 1 65 65 THR H H 65 9.053 9.053 8.456 0.597 25961 286 1 . 1 1 66 66 GLU N N 66 115.766 115.766 118.494 -2.728 25961 287 1 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.449 0.114 25961 288 1 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.868 -2.481 25961 289 1 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.505 1.060 25961 290 1 . 1 1 66 66 GLU H H 66 7.345 7.345 7.835 -0.490 25961 291 1 . 1 1 67 67 LEU N N 67 124.674 124.674 117.820 6.853 25961 292 1 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.432 -0.498 25961 293 1 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.799 -0.264 25961 294 1 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.903 0.150 25961 295 1 . 1 1 67 67 LEU H H 67 8.906 8.906 8.584 0.322 25961 296 1 . 1 1 68 68 ALA N N 68 120.493 120.493 121.302 -0.809 25961 297 1 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.068 0.068 25961 298 1 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.948 -0.274 25961 299 1 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.839 -1.318 25961 300 1 . 1 1 68 68 ALA H H 68 9.022 9.022 8.294 0.728 25961 301 1 . 1 1 69 69 ALA N N 69 119.695 119.695 121.415 -1.720 25961 302 1 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.241 -0.079 25961 303 1 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.599 -0.579 25961 304 1 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.638 -0.975 25961 305 1 . 1 1 69 69 ALA H H 69 7.258 7.258 7.722 -0.464 25961 306 1 . 1 1 70 70 PHE N N 70 119.274 119.274 118.955 0.319 25961 307 1 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.217 -0.258 25961 308 1 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.482 0.477 25961 309 1 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.714 -1.282 25961 310 1 . 1 1 70 70 PHE H H 70 7.769 7.769 7.973 -0.204 25961 311 1 . 1 1 71 71 ASN N N 71 117.363 117.363 118.228 -0.865 25961 312 1 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.404 -0.302 25961 313 1 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.928 -2.231 25961 314 1 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.643 -2.570 25961 315 1 . 1 1 71 71 ASN H H 71 8.801 8.801 8.325 0.476 25961 316 1 . 1 1 72 72 THR N N 72 119.746 119.746 115.052 4.694 25961 317 1 . 1 1 72 72 THR HA H 72 4.220 4.220 4.097 0.123 25961 318 1 . 1 1 72 72 THR CA C 72 65.927 65.927 65.874 0.053 25961 319 1 . 1 1 72 72 THR CB C 72 67.600 67.600 68.713 -1.113 25961 320 1 . 1 1 72 72 THR H H 72 8.109 8.109 7.648 0.461 25961 321 1 . 1 1 73 73 VAL N N 73 123.156 123.156 121.088 2.068 25961 322 1 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.698 -0.243 25961 323 1 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.001 0.155 25961 324 1 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.069 -0.733 25961 325 1 . 1 1 73 73 VAL H H 73 7.744 7.744 7.360 0.384 25961 326 1 . 1 1 74 74 VAL N N 74 120.420 120.420 120.275 0.146 25961 327 1 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.481 -0.115 25961 328 1 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.798 -0.200 25961 329 1 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.787 -0.302 25961 330 1 . 1 1 74 74 VAL H H 74 8.154 8.154 7.999 0.155 25961 331 1 . 1 1 75 75 ALA N N 75 120.206 120.206 122.260 -2.054 25961 332 1 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.037 -0.042 25961 333 1 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.088 -1.089 25961 334 1 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.427 -1.463 25961 335 1 . 1 1 75 75 ALA H H 75 7.788 7.788 7.666 0.122 25961 336 1 . 1 1 76 76 ARG N N 76 114.701 114.701 115.867 -1.166 25961 337 1 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.239 -0.154 25961 338 1 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.375 -0.393 25961 339 1 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.956 0.728 25961 340 1 . 1 1 76 76 ARG H H 76 7.705 7.705 7.602 0.103 25961 341 1 . 1 1 77 77 HIS N N 77 112.695 112.695 117.990 -5.295 25961 342 1 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.460 0.350 25961 343 1 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.198 -1.037 25961 344 1 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.561 0.472 25961 345 1 . 1 1 77 77 HIS H H 77 8.123 8.123 7.871 0.252 25961 346 1 . 1 1 78 78 VAL N N 78 119.219 119.219 119.834 -0.615 25961 347 1 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.801 0.092 25961 348 1 . 1 1 78 78 VAL CA C 78 63.565 63.565 64.104 -0.539 25961 349 1 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.261 -1.133 25961 350 1 . 1 1 78 78 VAL H H 78 8.034 8.034 7.964 0.070 25961 351 1 . 1 1 79 79 ARG N N 79 126.908 126.908 126.235 0.673 25961 352 1 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.753 -1.392 25961 353 1 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.758 -3.567 25961 354 1 . 1 1 79 79 ARG H H 79 7.023 7.023 8.068 -1.045 25961 355 1 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.527 -0.502 25961 356 1 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.478 0.092 25961 357 1 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.189 0.023 25961 358 1 . 1 1 81 81 SER N N 81 115.039 115.039 115.868 -0.829 25961 359 1 . 1 1 81 81 SER HA H 81 4.047 4.047 3.988 0.058 25961 360 1 . 1 1 81 81 SER CA C 81 60.713 60.713 59.020 1.693 25961 361 1 . 1 1 81 81 SER H H 81 8.210 8.210 8.476 -0.266 25961 362 1 . 1 1 82 82 ALA N N 82 123.546 123.546 123.635 -0.089 25961 363 1 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.511 -0.165 25961 364 1 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.350 0.156 25961 365 1 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.940 -0.845 25961 366 1 . 1 1 82 82 ALA H H 82 7.770 7.770 7.381 0.389 25961 367 1 . 1 1 83 83 SER N N 83 116.753 116.753 119.551 -2.798 25961 368 1 . 1 1 83 83 SER HA H 83 5.129 5.129 5.045 0.084 25961 369 1 . 1 1 83 83 SER CA C 83 56.582 56.582 57.637 -1.055 25961 370 1 . 1 1 83 83 SER CB C 83 62.554 62.554 64.241 -1.687 25961 371 1 . 1 1 83 83 SER H H 83 8.524 8.524 8.536 -0.012 25961 372 1 . 1 1 84 84 ILE N N 84 126.985 126.985 121.919 5.066 25961 373 1 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.671 -2.885 25961 374 1 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.530 -2.106 25961 375 1 . 1 1 84 84 ILE H H 84 9.599 9.599 8.219 1.380 25961 376 1 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.500 0.445 25961 377 1 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.674 -1.120 25961 378 1 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.624 -0.197 25961 379 1 . 1 1 86 86 VAL N N 86 123.811 123.811 124.031 -0.220 25961 380 1 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.326 0.523 25961 381 1 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.805 -1.033 25961 382 1 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.224 -0.580 25961 383 1 . 1 1 86 86 VAL H H 86 9.033 9.033 7.971 1.062 25961 384 1 . 1 1 87 87 VAL N N 87 127.839 127.839 124.576 3.263 25961 385 1 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.351 0.621 25961 386 1 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.438 -0.745 25961 387 1 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.607 -0.189 25961 388 1 . 1 1 87 87 VAL H H 87 9.132 9.132 8.396 0.736 25961 389 1 . 1 1 88 88 PHE N N 88 127.301 127.301 127.021 0.280 25961 390 1 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.404 0.214 25961 391 1 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.516 -1.305 25961 392 1 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.992 -1.990 25961 393 1 . 1 1 88 88 PHE H H 88 9.248 9.248 8.091 1.157 25961 394 1 . 1 1 89 89 SER N N 89 113.734 113.734 114.516 -0.781 25961 395 1 . 1 1 89 89 SER HA H 89 5.336 5.336 5.122 0.214 25961 396 1 . 1 1 89 89 SER CA C 89 54.452 54.452 56.972 -2.520 25961 397 1 . 1 1 89 89 SER CB C 89 64.474 64.474 66.225 -1.751 25961 398 1 . 1 1 89 89 SER H H 89 9.689 9.689 8.256 1.433 25961 399 1 . 1 1 90 90 ARG N N 90 128.114 128.114 124.607 3.507 25961 400 1 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.574 0.173 25961 401 1 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.403 -1.281 25961 402 1 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.478 0.858 25961 403 1 . 1 1 90 90 ARG H H 90 8.561 8.561 8.096 0.465 25961 404 1 . 1 1 91 91 ASP N N 91 129.790 129.790 122.758 7.032 25961 405 1 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.354 -0.085 25961 406 1 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.302 -0.801 25961 407 1 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.374 -0.293 25961 408 1 . 1 1 91 91 ASP H H 91 9.461 9.461 8.905 0.556 25961 409 1 . 1 1 92 92 GLY N N 92 102.404 102.404 102.811 -0.407 25961 410 1 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.951 -0.646 25961 411 1 . 1 1 92 92 GLY H H 92 8.391 8.391 8.213 0.178 25961 412 1 . 1 1 93 93 VAL N N 93 123.090 123.090 120.961 2.129 25961 413 1 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.935 0.067 25961 414 1 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.597 -1.331 25961 415 1 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.985 -1.167 25961 416 1 . 1 1 93 93 VAL H H 93 7.682 7.682 7.465 0.217 25961 417 1 . 1 1 94 94 VAL N N 94 128.414 128.414 126.214 2.200 25961 418 1 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.902 0.232 25961 419 1 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.476 0.864 25961 420 1 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.144 -2.028 25961 421 1 . 1 1 94 94 VAL H H 94 8.400 8.400 8.220 0.180 25961 422 1 . 1 1 95 95 MET N N 95 129.196 129.196 128.835 0.362 25961 423 1 . 1 1 95 95 MET HA H 95 4.352 4.352 4.835 -0.483 25961 424 1 . 1 1 95 95 MET CA C 95 53.674 53.674 54.253 -0.579 25961 425 1 . 1 1 95 95 MET CB C 95 36.104 36.104 36.815 -0.711 25961 426 1 . 1 1 95 95 MET H H 95 9.100 9.100 8.260 0.840 25961 427 1 . 1 1 96 96 SER N N 96 111.540 111.540 116.939 -5.399 25961 428 1 . 1 1 96 96 SER HA H 96 5.469 5.469 5.091 0.378 25961 429 1 . 1 1 96 96 SER CA C 96 55.830 55.830 57.304 -1.474 25961 430 1 . 1 1 96 96 SER CB C 96 65.471 65.471 65.395 0.076 25961 431 1 . 1 1 96 96 SER H H 96 8.004 8.004 8.320 -0.316 25961 432 1 . 1 1 97 97 ALA N N 97 124.079 124.079 128.464 -4.385 25961 433 1 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.770 0.018 25961 434 1 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.974 -1.575 25961 435 1 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.095 0.449 25961 436 1 . 1 1 97 97 ALA H H 97 9.145 9.145 8.328 0.817 25961 437 1 . 1 1 98 98 THR N N 98 117.342 117.342 118.393 -1.051 25961 438 1 . 1 1 98 98 THR HA H 98 4.823 4.823 4.376 0.447 25961 439 1 . 1 1 98 98 THR CA C 98 61.053 61.053 62.810 -1.757 25961 440 1 . 1 1 98 98 THR CB C 98 69.913 69.913 69.045 0.868 25961 441 1 . 1 1 98 98 THR H H 98 8.754 8.754 8.403 0.351 25961 442 1 . 1 1 99 99 ILE N N 99 125.689 125.689 126.175 -0.486 25961 443 1 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.489 -0.378 25961 444 1 . 1 1 99 99 ILE CA C 99 59.369 59.369 59.916 -0.547 25961 445 1 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.775 -0.084 25961 446 1 . 1 1 99 99 ILE H H 99 8.868 8.868 8.030 0.838 25961 447 1 . 1 1 100 100 VAL N N 100 129.871 129.871 126.220 3.651 25961 448 1 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.376 0.290 25961 449 1 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.040 -0.173 25961 450 1 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.410 -2.800 25961 451 1 . 1 1 100 100 VAL H H 100 8.818 8.818 8.484 0.334 25961 452 1 . 1 1 101 101 VAL N N 101 128.299 128.299 127.633 0.665 25961 453 1 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.322 -0.953 25961 454 1 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.078 3.249 25961 455 1 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.991 -2.017 25961 456 1 . 1 1 101 101 VAL H H 101 8.795 8.795 7.817 0.978 25961 457 1 . 1 1 102 102 GLY N N 102 115.466 115.466 113.076 2.390 25961 458 1 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.202 -0.522 25961 459 1 . 1 1 102 102 GLY H H 102 8.393 8.393 8.521 -0.128 25961 460 1 . 1 1 103 103 GLU N N 103 119.459 119.459 125.178 -5.719 25961 461 1 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.309 0.646 25961 462 1 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.710 -2.964 25961 463 1 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.386 1.815 25961 464 1 . 1 1 103 103 GLU H H 103 8.386 8.386 8.292 0.094 25961 465 1 . 1 1 104 104 LEU N N 104 123.881 123.881 117.702 6.179 25961 466 1 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.567 0.132 25961 467 1 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.722 -1.155 25961 468 1 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.305 1.753 25961 469 1 . 1 1 104 104 LEU H H 104 8.735 8.735 7.700 1.035 25961 stop_ save_