data_18833 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18833 _Entry.PDB_ID 2M0Z 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 18833 _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 PRO HA H 2 4.472 4.472 4.623 -0.151 18833 2 1 1 . 1 1 2 2 PRO C C 2 175.867 175.867 175.775 0.092 18833 3 1 1 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.534 0.306 18833 4 1 1 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.591 -0.278 18833 5 1 1 . 1 1 3 3 LYS N N 3 124.698 124.698 121.075 3.623 18833 6 1 1 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.448 0.159 18833 7 1 1 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.446 -0.839 18833 8 1 1 . 1 1 3 3 LYS CB C 3 31.587 31.587 31.798 -0.211 18833 9 1 1 . 1 1 3 3 LYS H H 3 8.933 8.933 8.270 0.663 18833 10 1 1 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.317 -0.376 18833 11 1 1 . 1 1 4 4 PRO C C 4 177.504 177.504 177.592 -0.088 18833 12 1 1 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.790 0.722 18833 13 1 1 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.444 0.226 18833 14 1 1 . 1 1 5 5 GLY N N 5 113.652 113.652 111.727 1.925 18833 15 1 1 . 1 1 5 5 GLY C C 5 174.146 174.146 173.563 0.583 18833 16 1 1 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.821 0.251 18833 17 1 1 . 1 1 5 5 GLY H H 5 9.014 9.014 8.698 0.316 18833 18 1 1 . 1 1 6 6 ASP N N 6 121.766 121.766 120.731 1.035 18833 19 1 1 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.822 -0.151 18833 20 1 1 . 1 1 6 6 ASP C C 6 175.762 175.762 175.390 0.372 18833 21 1 1 . 1 1 6 6 ASP CA C 6 54.899 54.899 53.287 1.612 18833 22 1 1 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.553 -1.147 18833 23 1 1 . 1 1 6 6 ASP H H 6 8.489 8.489 7.728 0.761 18833 24 1 1 . 1 1 7 7 ILE N N 7 121.794 121.794 124.699 -2.905 18833 25 1 1 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.597 0.736 18833 26 1 1 . 1 1 7 7 ILE C C 7 176.854 176.854 175.644 1.210 18833 27 1 1 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.467 -0.835 18833 28 1 1 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.796 -0.581 18833 29 1 1 . 1 1 7 7 ILE H H 7 8.368 8.368 8.553 -0.185 18833 30 1 1 . 1 1 8 8 PHE N N 8 125.873 125.873 125.625 0.248 18833 31 1 1 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.992 0.072 18833 32 1 1 . 1 1 8 8 PHE C C 8 171.167 171.167 173.014 -1.847 18833 33 1 1 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.329 0.221 18833 34 1 1 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.463 -0.130 18833 35 1 1 . 1 1 8 8 PHE H H 8 9.498 9.498 8.851 0.647 18833 36 1 1 . 1 1 9 9 GLU N N 9 119.065 119.065 120.589 -1.524 18833 37 1 1 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.808 0.407 18833 38 1 1 . 1 1 9 9 GLU C C 9 176.019 176.019 175.149 0.870 18833 39 1 1 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.101 -1.112 18833 40 1 1 . 1 1 9 9 GLU CB C 9 33.411 33.411 32.058 1.353 18833 41 1 1 . 1 1 9 9 GLU H H 9 8.502 8.502 8.514 -0.012 18833 42 1 1 . 1 1 10 10 VAL N N 10 120.078 120.078 122.252 -2.174 18833 43 1 1 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.303 -0.168 18833 44 1 1 . 1 1 10 10 VAL C C 10 173.177 173.177 174.323 -1.146 18833 45 1 1 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.739 0.374 18833 46 1 1 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.781 2.001 18833 47 1 1 . 1 1 10 10 VAL H H 10 8.581 8.581 8.856 -0.275 18833 48 1 1 . 1 1 11 11 GLU N N 11 126.482 126.482 126.726 -0.244 18833 49 1 1 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.109 -0.111 18833 50 1 1 . 1 1 11 11 GLU C C 11 174.618 174.618 175.117 -0.499 18833 51 1 1 . 1 1 11 11 GLU CA C 11 54.814 54.814 55.017 -0.203 18833 52 1 1 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.965 0.043 18833 53 1 1 . 1 1 11 11 GLU H H 11 7.810 7.810 8.539 -0.729 18833 54 1 1 . 1 1 12 12 LEU N N 12 126.093 126.093 127.123 -1.030 18833 55 1 1 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.655 -0.001 18833 56 1 1 . 1 1 12 12 LEU C C 12 174.013 174.013 175.025 -1.012 18833 57 1 1 . 1 1 12 12 LEU CA C 12 53.174 53.174 52.989 0.185 18833 58 1 1 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.940 1.926 18833 59 1 1 . 1 1 12 12 LEU H H 12 8.888 8.888 8.175 0.713 18833 60 1 1 . 1 1 13 13 ALA N N 13 126.137 126.137 129.330 -3.193 18833 61 1 1 . 1 1 13 13 ALA HA H 13 5.101 5.101 5.063 0.038 18833 62 1 1 . 1 1 13 13 ALA C C 13 177.290 177.290 177.230 0.060 18833 63 1 1 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.872 -0.989 18833 64 1 1 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.892 -1.483 18833 65 1 1 . 1 1 13 13 ALA H H 13 8.494 8.494 8.566 -0.072 18833 66 1 1 . 1 1 14 14 LYS N N 14 120.270 120.270 122.057 -1.787 18833 67 1 1 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.572 -0.774 18833 68 1 1 . 1 1 14 14 LYS C C 14 176.313 176.313 176.186 0.127 18833 69 1 1 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.293 2.505 18833 70 1 1 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.274 2.639 18833 71 1 1 . 1 1 14 14 LYS H H 14 8.486 8.486 8.244 0.242 18833 72 1 1 . 1 1 15 15 ASN N N 15 117.746 117.746 117.923 -0.177 18833 73 1 1 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.634 0.190 18833 74 1 1 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.368 -2.589 18833 75 1 1 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.336 1.786 18833 76 1 1 . 1 1 15 15 ASN H H 15 8.139 8.139 8.216 -0.077 18833 77 1 1 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.476 -0.174 18833 78 1 1 . 1 1 16 16 ASP C C 16 175.367 175.367 175.959 -0.592 18833 79 1 1 . 1 1 16 16 ASP CA C 16 55.452 55.452 56.245 -0.793 18833 80 1 1 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.468 -2.013 18833 81 1 1 . 1 1 17 17 ASN N N 17 111.793 111.793 114.229 -2.436 18833 82 1 1 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.799 -0.419 18833 83 1 1 . 1 1 17 17 ASN C C 17 174.599 174.599 173.783 0.816 18833 84 1 1 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.309 1.484 18833 85 1 1 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.178 -1.462 18833 86 1 1 . 1 1 17 17 ASN H H 17 8.698 8.698 8.052 0.646 18833 87 1 1 . 1 1 18 18 SER N N 18 112.321 112.321 115.492 -3.171 18833 88 1 1 . 1 1 18 18 SER HA H 18 4.827 4.827 4.333 0.494 18833 89 1 1 . 1 1 18 18 SER CA C 18 56.795 56.795 58.429 -1.634 18833 90 1 1 . 1 1 18 18 SER CB C 18 64.855 64.855 64.334 0.521 18833 91 1 1 . 1 1 18 18 SER H H 18 7.989 7.989 8.371 -0.382 18833 92 1 1 . 1 1 19 19 LEU N N 19 127.097 127.097 122.145 4.952 18833 93 1 1 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.040 0.126 18833 94 1 1 . 1 1 19 19 LEU C C 19 177.329 177.329 178.079 -0.750 18833 95 1 1 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.531 -0.018 18833 96 1 1 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.940 1.379 18833 97 1 1 . 1 1 19 19 LEU H H 19 9.247 9.247 8.466 0.781 18833 98 1 1 . 1 1 20 20 GLY N N 20 104.340 104.340 104.861 -0.521 18833 99 1 1 . 1 1 20 20 GLY C C 20 175.984 175.984 173.370 2.614 18833 100 1 1 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.250 1.549 18833 101 1 1 . 1 1 20 20 GLY H H 20 8.664 8.664 8.443 0.221 18833 102 1 1 . 1 1 21 21 ILE N N 21 115.279 115.279 117.643 -2.364 18833 103 1 1 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.156 -0.160 18833 104 1 1 . 1 1 21 21 ILE C C 21 175.972 175.972 174.849 1.123 18833 105 1 1 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.346 0.435 18833 106 1 1 . 1 1 21 21 ILE CB C 21 42.622 42.622 42.473 0.149 18833 107 1 1 . 1 1 21 21 ILE H H 21 7.614 7.614 7.588 0.026 18833 108 1 1 . 1 1 22 22 CYS N N 22 122.210 122.210 120.341 1.869 18833 109 1 1 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.103 0.168 18833 110 1 1 . 1 1 22 22 CYS C C 22 175.904 175.904 172.999 2.905 18833 111 1 1 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.492 -5.547 18833 112 1 1 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.845 4.347 18833 113 1 1 . 1 1 22 22 CYS H H 22 8.506 8.506 8.434 0.072 18833 114 1 1 . 1 1 23 23 VAL N N 23 117.739 117.739 115.387 2.352 18833 115 1 1 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.342 0.125 18833 116 1 1 . 1 1 23 23 VAL C C 23 173.821 173.821 174.144 -0.323 18833 117 1 1 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.114 -0.294 18833 118 1 1 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.569 0.186 18833 119 1 1 . 1 1 23 23 VAL H H 23 9.203 9.203 8.454 0.749 18833 120 1 1 . 1 1 24 24 THR N N 24 114.753 114.753 114.311 0.442 18833 121 1 1 . 1 1 24 24 THR HA H 24 4.649 4.649 4.664 -0.015 18833 122 1 1 . 1 1 24 24 THR C C 24 171.786 171.786 173.010 -1.224 18833 123 1 1 . 1 1 24 24 THR CA C 24 59.529 59.529 59.510 0.019 18833 124 1 1 . 1 1 24 24 THR CB C 24 70.563 70.563 70.417 0.146 18833 125 1 1 . 1 1 24 24 THR H H 24 9.237 9.237 8.652 0.585 18833 126 1 1 . 1 1 25 25 GLY N N 25 111.927 111.927 109.700 2.227 18833 127 1 1 . 1 1 25 25 GLY C C 25 174.099 174.099 173.327 0.772 18833 128 1 1 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.699 -0.087 18833 129 1 1 . 1 1 25 25 GLY H H 25 8.291 8.291 8.624 -0.333 18833 130 1 1 . 1 1 26 26 GLY N N 26 107.140 107.140 107.160 -0.020 18833 131 1 1 . 1 1 26 26 GLY C C 26 176.180 176.180 173.704 2.476 18833 132 1 1 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.421 -1.618 18833 133 1 1 . 1 1 26 26 GLY H H 26 7.545 7.545 8.530 -0.985 18833 134 1 1 . 1 1 27 27 VAL N N 27 116.837 116.837 120.698 -3.861 18833 135 1 1 . 1 1 27 27 VAL HA H 27 4.126 4.126 4.053 0.073 18833 136 1 1 . 1 1 27 27 VAL C C 27 175.764 175.764 175.577 0.187 18833 137 1 1 . 1 1 27 27 VAL CA C 27 63.795 63.795 61.825 1.970 18833 138 1 1 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.756 1.226 18833 139 1 1 . 1 1 27 27 VAL H H 27 8.091 8.091 8.305 -0.214 18833 140 1 1 . 1 1 28 28 ASN N N 28 117.997 117.997 115.824 2.173 18833 141 1 1 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.478 0.331 18833 142 1 1 . 1 1 28 28 ASN C C 28 174.860 174.860 174.514 0.346 18833 143 1 1 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.805 -0.350 18833 144 1 1 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.150 0.597 18833 145 1 1 . 1 1 28 28 ASN H H 28 8.795 8.795 8.200 0.595 18833 146 1 1 . 1 1 29 29 THR N N 29 111.381 111.381 114.098 -2.717 18833 147 1 1 . 1 1 29 29 THR HA H 29 4.689 4.689 4.462 0.227 18833 148 1 1 . 1 1 29 29 THR CA C 29 61.526 61.526 61.081 0.445 18833 149 1 1 . 1 1 29 29 THR CB C 29 70.889 70.889 69.840 1.049 18833 150 1 1 . 1 1 29 29 THR H H 29 7.858 7.858 7.886 -0.028 18833 151 1 1 . 1 1 30 30 SER N N 30 114.070 114.070 116.330 -2.260 18833 152 1 1 . 1 1 30 30 SER HA H 30 4.535 4.535 4.129 0.406 18833 153 1 1 . 1 1 30 30 SER C C 30 174.879 174.879 174.921 -0.042 18833 154 1 1 . 1 1 30 30 SER CA C 30 58.380 58.380 60.113 -1.733 18833 155 1 1 . 1 1 30 30 SER CB C 30 63.532 63.532 63.158 0.374 18833 156 1 1 . 1 1 30 30 SER H H 30 8.433 8.433 8.640 -0.207 18833 157 1 1 . 1 1 31 31 VAL N N 31 118.337 118.337 117.111 1.226 18833 158 1 1 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.174 -0.083 18833 159 1 1 . 1 1 31 31 VAL C C 31 176.528 176.528 176.630 -0.102 18833 160 1 1 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.624 0.521 18833 161 1 1 . 1 1 31 31 VAL CB C 31 32.500 32.500 33.096 -0.596 18833 162 1 1 . 1 1 31 31 VAL H H 31 7.588 7.588 7.601 -0.013 18833 163 1 1 . 1 1 32 32 ARG N N 32 124.670 124.670 125.098 -0.428 18833 164 1 1 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.079 -0.068 18833 165 1 1 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.585 -0.613 18833 166 1 1 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.020 -0.445 18833 167 1 1 . 1 1 32 32 ARG H H 32 8.511 8.511 8.573 -0.062 18833 168 1 1 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.516 0.057 18833 169 1 1 . 1 1 33 33 HIS C C 33 175.064 175.064 175.681 -0.617 18833 170 1 1 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.802 0.029 18833 171 1 1 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.994 -0.876 18833 172 1 1 . 1 1 34 34 GLY N N 34 109.531 109.531 107.168 2.363 18833 173 1 1 . 1 1 34 34 GLY C C 34 174.582 174.582 175.011 -0.429 18833 174 1 1 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.663 0.918 18833 175 1 1 . 1 1 34 34 GLY H H 34 8.471 8.471 7.428 1.043 18833 176 1 1 . 1 1 35 35 GLY N N 35 105.151 105.151 108.163 -3.012 18833 177 1 1 . 1 1 35 35 GLY C C 35 170.505 170.505 174.273 -3.768 18833 178 1 1 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.974 0.603 18833 179 1 1 . 1 1 35 35 GLY H H 35 7.833 7.833 8.079 -0.246 18833 180 1 1 . 1 1 36 36 ILE N N 36 119.676 119.676 123.733 -4.057 18833 181 1 1 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.446 0.266 18833 182 1 1 . 1 1 36 36 ILE C C 36 174.641 174.641 175.416 -0.775 18833 183 1 1 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.842 -1.758 18833 184 1 1 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.472 0.260 18833 185 1 1 . 1 1 36 36 ILE H H 36 8.350 8.350 7.630 0.720 18833 186 1 1 . 1 1 37 37 TYR N N 37 123.307 123.307 126.694 -3.387 18833 187 1 1 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.052 0.255 18833 188 1 1 . 1 1 37 37 TYR C C 37 176.165 176.165 176.526 -0.361 18833 189 1 1 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.344 -1.497 18833 190 1 1 . 1 1 37 37 TYR CB C 37 42.329 42.329 39.675 2.655 18833 191 1 1 . 1 1 37 37 TYR H H 37 8.892 8.892 8.019 0.873 18833 192 1 1 . 1 1 38 38 VAL N N 38 120.580 120.580 121.442 -0.862 18833 193 1 1 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.044 -0.308 18833 194 1 1 . 1 1 38 38 VAL C C 38 175.983 175.983 176.454 -0.471 18833 195 1 1 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.485 0.185 18833 196 1 1 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.541 -0.014 18833 197 1 1 . 1 1 38 38 VAL H H 38 9.365 9.365 9.132 0.233 18833 198 1 1 . 1 1 39 39 LYS N N 39 133.297 133.297 130.393 2.904 18833 199 1 1 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.420 -0.035 18833 200 1 1 . 1 1 39 39 LYS C C 39 174.520 174.520 175.566 -1.046 18833 201 1 1 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.267 0.242 18833 202 1 1 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.578 0.056 18833 203 1 1 . 1 1 39 39 LYS H H 39 9.560 9.560 8.997 0.563 18833 204 1 1 . 1 1 40 40 ALA N N 40 118.155 118.155 121.382 -3.227 18833 205 1 1 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.680 -0.175 18833 206 1 1 . 1 1 40 40 ALA C C 40 174.639 174.639 174.970 -0.331 18833 207 1 1 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.539 0.256 18833 208 1 1 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.932 0.548 18833 209 1 1 . 1 1 40 40 ALA H H 40 7.498 7.498 7.504 -0.006 18833 210 1 1 . 1 1 41 41 VAL N N 41 121.634 121.634 120.343 1.291 18833 211 1 1 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.791 -0.382 18833 212 1 1 . 1 1 41 41 VAL C C 41 175.829 175.829 175.442 0.387 18833 213 1 1 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.815 0.489 18833 214 1 1 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.298 -3.103 18833 215 1 1 . 1 1 41 41 VAL H H 41 8.634 8.634 8.330 0.304 18833 216 1 1 . 1 1 42 42 ILE N N 42 128.094 128.094 127.755 0.339 18833 217 1 1 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.302 -0.156 18833 218 1 1 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.364 -0.718 18833 219 1 1 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.309 -0.304 18833 220 1 1 . 1 1 42 42 ILE H H 42 7.944 7.944 8.725 -0.781 18833 221 1 1 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.347 0.104 18833 222 1 1 . 1 1 43 43 PRO C C 43 177.234 177.234 175.995 1.239 18833 223 1 1 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.750 0.447 18833 224 1 1 . 1 1 43 43 PRO CB C 43 31.845 31.845 32.025 -0.180 18833 225 1 1 . 1 1 44 44 GLN N N 44 116.825 116.825 119.791 -2.966 18833 226 1 1 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.982 -0.133 18833 227 1 1 . 1 1 44 44 GLN C C 44 175.752 175.752 175.417 0.335 18833 228 1 1 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.316 1.816 18833 229 1 1 . 1 1 44 44 GLN CB C 44 26.474 26.474 27.845 -1.371 18833 230 1 1 . 1 1 44 44 GLN H H 44 9.345 9.345 8.708 0.637 18833 231 1 1 . 1 1 45 45 GLY N N 45 106.186 106.186 104.628 1.558 18833 232 1 1 . 1 1 45 45 GLY C C 45 174.374 174.374 173.901 0.473 18833 233 1 1 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.155 0.569 18833 234 1 1 . 1 1 45 45 GLY H H 45 7.887 7.887 7.927 -0.040 18833 235 1 1 . 1 1 46 46 ALA N N 46 120.843 120.843 123.112 -2.269 18833 236 1 1 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.968 0.091 18833 237 1 1 . 1 1 46 46 ALA C C 46 180.628 180.628 179.356 1.272 18833 238 1 1 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.419 -0.384 18833 239 1 1 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.729 -0.107 18833 240 1 1 . 1 1 46 46 ALA H H 46 8.907 8.907 8.154 0.753 18833 241 1 1 . 1 1 47 47 ALA N N 47 118.721 118.721 120.989 -2.268 18833 242 1 1 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.921 0.150 18833 243 1 1 . 1 1 47 47 ALA C C 47 180.589 180.589 179.524 1.065 18833 244 1 1 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.294 -0.448 18833 245 1 1 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.925 0.843 18833 246 1 1 . 1 1 47 47 ALA H H 47 7.856 7.856 7.705 0.151 18833 247 1 1 . 1 1 48 48 GLU N N 48 124.373 124.373 119.216 5.157 18833 248 1 1 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.046 -0.237 18833 249 1 1 . 1 1 48 48 GLU C C 48 178.120 178.120 178.750 -0.630 18833 250 1 1 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.406 1.451 18833 251 1 1 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.160 0.459 18833 252 1 1 . 1 1 48 48 GLU H H 48 9.195 9.195 8.428 0.767 18833 253 1 1 . 1 1 49 49 SER N N 49 113.220 113.220 113.371 -0.151 18833 254 1 1 . 1 1 49 49 SER HA H 49 4.099 4.099 4.211 -0.112 18833 255 1 1 . 1 1 49 49 SER C C 49 175.707 175.707 176.428 -0.721 18833 256 1 1 . 1 1 49 49 SER CA C 49 61.168 61.168 60.786 0.382 18833 257 1 1 . 1 1 49 49 SER CB C 49 62.775 62.775 63.015 -0.240 18833 258 1 1 . 1 1 49 49 SER H H 49 8.020 8.020 8.391 -0.371 18833 259 1 1 . 1 1 50 50 ASP N N 50 120.022 120.022 119.507 0.515 18833 260 1 1 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.506 -0.126 18833 261 1 1 . 1 1 50 50 ASP C C 50 177.650 177.650 177.451 0.199 18833 262 1 1 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.407 1.790 18833 263 1 1 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.196 3.039 18833 264 1 1 . 1 1 50 50 ASP H H 50 7.579 7.579 7.910 -0.331 18833 265 1 1 . 1 1 51 51 GLY N N 51 102.979 102.979 107.949 -4.970 18833 266 1 1 . 1 1 51 51 GLY C C 51 175.026 175.026 175.002 0.024 18833 267 1 1 . 1 1 51 51 GLY CA C 51 46.346 46.346 46.095 0.251 18833 268 1 1 . 1 1 51 51 GLY H H 51 7.364 7.364 8.347 -0.983 18833 269 1 1 . 1 1 52 52 ARG N N 52 117.501 117.501 119.803 -2.302 18833 270 1 1 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.125 0.183 18833 271 1 1 . 1 1 52 52 ARG C C 52 175.898 175.898 176.178 -0.280 18833 272 1 1 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.468 0.436 18833 273 1 1 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.925 2.074 18833 274 1 1 . 1 1 52 52 ARG H H 52 7.958 7.958 7.808 0.150 18833 275 1 1 . 1 1 53 53 ILE N N 53 120.028 120.028 117.987 2.041 18833 276 1 1 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.109 0.123 18833 277 1 1 . 1 1 53 53 ILE C C 53 173.773 173.773 173.983 -0.210 18833 278 1 1 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.547 0.882 18833 279 1 1 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.856 -0.157 18833 280 1 1 . 1 1 53 53 ILE H H 53 8.223 8.223 7.210 1.013 18833 281 1 1 . 1 1 54 54 HIS N N 54 123.681 123.681 122.162 1.519 18833 282 1 1 . 1 1 54 54 HIS HA H 54 4.801 4.801 5.117 -0.316 18833 283 1 1 . 1 1 54 54 HIS C C 54 173.826 173.826 175.446 -1.620 18833 284 1 1 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.663 0.222 18833 285 1 1 . 1 1 54 54 HIS CB C 54 33.499 33.499 34.149 -0.650 18833 286 1 1 . 1 1 54 54 HIS H H 54 9.073 9.073 8.305 0.768 18833 287 1 1 . 1 1 55 55 LYS N N 55 120.814 120.814 119.344 1.470 18833 288 1 1 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.132 -0.522 18833 289 1 1 . 1 1 55 55 LYS C C 55 177.014 177.014 177.181 -0.167 18833 290 1 1 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.248 1.185 18833 291 1 1 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.942 0.418 18833 292 1 1 . 1 1 55 55 LYS H H 55 8.715 8.715 8.930 -0.215 18833 293 1 1 . 1 1 56 56 GLY N N 56 114.423 114.423 110.409 4.014 18833 294 1 1 . 1 1 56 56 GLY C C 56 174.469 174.469 174.301 0.168 18833 295 1 1 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.529 -0.691 18833 296 1 1 . 1 1 56 56 GLY H H 56 9.128 9.128 8.876 0.252 18833 297 1 1 . 1 1 57 57 ASP N N 57 121.735 121.735 121.905 -0.170 18833 298 1 1 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.920 -0.037 18833 299 1 1 . 1 1 57 57 ASP C C 57 174.808 174.808 174.585 0.223 18833 300 1 1 . 1 1 57 57 ASP CA C 57 55.827 55.827 54.259 1.568 18833 301 1 1 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.572 -1.517 18833 302 1 1 . 1 1 57 57 ASP H H 57 8.033 8.033 7.660 0.373 18833 303 1 1 . 1 1 58 58 ARG N N 58 123.530 123.530 118.799 4.731 18833 304 1 1 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.992 -0.354 18833 305 1 1 . 1 1 58 58 ARG C C 58 175.641 175.641 174.793 0.848 18833 306 1 1 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.372 0.328 18833 307 1 1 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.916 1.715 18833 308 1 1 . 1 1 58 58 ARG H H 58 9.097 9.097 8.596 0.501 18833 309 1 1 . 1 1 59 59 VAL N N 59 126.202 126.202 122.157 4.045 18833 310 1 1 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.491 -0.586 18833 311 1 1 . 1 1 59 59 VAL C C 59 174.515 174.515 175.409 -0.894 18833 312 1 1 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.459 0.693 18833 313 1 1 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.167 -2.093 18833 314 1 1 . 1 1 59 59 VAL H H 59 8.898 8.898 8.698 0.200 18833 315 1 1 . 1 1 60 60 LEU N N 60 127.209 127.209 120.936 6.273 18833 316 1 1 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.896 -0.576 18833 317 1 1 . 1 1 60 60 LEU C C 60 178.352 178.352 176.105 2.247 18833 318 1 1 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.966 1.195 18833 319 1 1 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.356 -0.731 18833 320 1 1 . 1 1 60 60 LEU H H 60 9.193 9.193 8.704 0.489 18833 321 1 1 . 1 1 61 61 ALA N N 61 118.965 118.965 120.257 -1.292 18833 322 1 1 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.355 -0.416 18833 323 1 1 . 1 1 61 61 ALA C C 61 175.332 175.332 175.363 -0.031 18833 324 1 1 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.309 1.983 18833 325 1 1 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.762 -0.676 18833 326 1 1 . 1 1 61 61 ALA H H 61 7.759 7.759 7.403 0.356 18833 327 1 1 . 1 1 62 62 VAL N N 62 119.695 119.695 120.070 -0.375 18833 328 1 1 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.722 -0.238 18833 329 1 1 . 1 1 62 62 VAL C C 62 175.538 175.538 176.195 -0.657 18833 330 1 1 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.050 -0.513 18833 331 1 1 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.267 -0.307 18833 332 1 1 . 1 1 62 62 VAL H H 62 8.218 8.218 8.220 -0.002 18833 333 1 1 . 1 1 63 63 ASN N N 63 128.940 128.940 126.440 2.500 18833 334 1 1 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.369 0.202 18833 335 1 1 . 1 1 63 63 ASN C C 63 175.155 175.155 175.196 -0.041 18833 336 1 1 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.432 0.027 18833 337 1 1 . 1 1 63 63 ASN CB C 63 36.919 36.919 37.227 -0.309 18833 338 1 1 . 1 1 63 63 ASN H H 63 10.387 10.387 9.509 0.878 18833 339 1 1 . 1 1 64 64 GLY N N 64 103.432 103.432 103.804 -0.372 18833 340 1 1 . 1 1 64 64 GLY C C 64 173.902 173.902 173.692 0.210 18833 341 1 1 . 1 1 64 64 GLY CA C 64 45.197 45.197 44.939 0.258 18833 342 1 1 . 1 1 64 64 GLY H H 64 9.094 9.094 8.701 0.393 18833 343 1 1 . 1 1 65 65 VAL N N 65 123.418 123.418 122.169 1.249 18833 344 1 1 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.229 -0.253 18833 345 1 1 . 1 1 65 65 VAL C C 65 175.675 175.675 175.389 0.286 18833 346 1 1 . 1 1 65 65 VAL CA C 65 62.062 62.062 60.867 1.195 18833 347 1 1 . 1 1 65 65 VAL CB C 65 31.829 31.829 33.027 -1.198 18833 348 1 1 . 1 1 65 65 VAL H H 65 7.948 7.948 7.807 0.141 18833 349 1 1 . 1 1 66 66 SER N N 66 121.122 121.122 124.415 -3.293 18833 350 1 1 . 1 1 66 66 SER HA H 66 4.365 4.365 4.434 -0.069 18833 351 1 1 . 1 1 66 66 SER C C 66 176.402 176.402 174.383 2.019 18833 352 1 1 . 1 1 66 66 SER CA C 66 58.310 58.310 59.126 -0.816 18833 353 1 1 . 1 1 66 66 SER CB C 66 63.651 63.651 63.146 0.505 18833 354 1 1 . 1 1 66 66 SER H H 66 8.671 8.671 8.797 -0.126 18833 355 1 1 . 1 1 67 67 LEU N N 67 125.351 125.351 125.382 -0.031 18833 356 1 1 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.422 0.018 18833 357 1 1 . 1 1 67 67 LEU C C 67 176.359 176.359 176.968 -0.609 18833 358 1 1 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.718 -0.851 18833 359 1 1 . 1 1 67 67 LEU CB C 67 40.981 40.981 42.219 -1.238 18833 360 1 1 . 1 1 67 67 LEU H H 67 8.205 8.205 8.303 -0.098 18833 361 1 1 . 1 1 68 68 GLU N N 68 123.211 123.211 118.856 4.355 18833 362 1 1 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.064 -0.018 18833 363 1 1 . 1 1 68 68 GLU C C 68 177.820 177.820 177.165 0.655 18833 364 1 1 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.436 1.099 18833 365 1 1 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.476 -0.396 18833 366 1 1 . 1 1 68 68 GLU H H 68 8.300 8.300 7.563 0.737 18833 367 1 1 . 1 1 69 69 GLY N N 69 115.507 115.507 111.490 4.017 18833 368 1 1 . 1 1 69 69 GLY C C 69 173.652 173.652 174.360 -0.708 18833 369 1 1 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.836 0.511 18833 370 1 1 . 1 1 69 69 GLY H H 69 8.945 8.945 9.016 -0.071 18833 371 1 1 . 1 1 70 70 ALA N N 70 122.308 122.308 125.862 -3.554 18833 372 1 1 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.290 0.200 18833 373 1 1 . 1 1 70 70 ALA C C 70 179.583 179.583 176.520 3.063 18833 374 1 1 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.144 0.340 18833 375 1 1 . 1 1 70 70 ALA CB C 70 19.588 19.588 20.256 -0.668 18833 376 1 1 . 1 1 70 70 ALA H H 70 7.882 7.882 7.635 0.247 18833 377 1 1 . 1 1 71 71 THR N N 71 111.173 111.173 111.513 -0.340 18833 378 1 1 . 1 1 71 71 THR HA H 71 4.526 4.526 4.556 -0.030 18833 379 1 1 . 1 1 71 71 THR C C 71 174.660 174.660 176.195 -1.535 18833 380 1 1 . 1 1 71 71 THR CA C 71 60.732 60.732 60.625 0.107 18833 381 1 1 . 1 1 71 71 THR CB C 71 71.196 71.196 70.828 0.368 18833 382 1 1 . 1 1 71 71 THR H H 71 8.185 8.185 8.414 -0.229 18833 383 1 1 . 1 1 72 72 HIS N N 72 121.107 121.107 119.590 1.517 18833 384 1 1 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.217 -0.216 18833 385 1 1 . 1 1 72 72 HIS C C 72 176.702 176.702 177.203 -0.501 18833 386 1 1 . 1 1 72 72 HIS CA C 72 61.452 61.452 60.155 1.297 18833 387 1 1 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.030 1.279 18833 388 1 1 . 1 1 72 72 HIS H H 72 9.077 9.077 8.963 0.114 18833 389 1 1 . 1 1 73 73 LYS N N 73 116.672 116.672 119.054 -2.382 18833 390 1 1 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.892 -0.136 18833 391 1 1 . 1 1 73 73 LYS C C 73 178.603 178.603 178.766 -0.163 18833 392 1 1 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.254 0.768 18833 393 1 1 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.389 1.071 18833 394 1 1 . 1 1 73 73 LYS H H 73 8.473 8.473 7.494 0.979 18833 395 1 1 . 1 1 74 74 GLN N N 74 116.558 116.558 119.380 -2.822 18833 396 1 1 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.016 -0.084 18833 397 1 1 . 1 1 74 74 GLN C C 74 179.891 179.891 178.741 1.150 18833 398 1 1 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.766 -0.195 18833 399 1 1 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.010 0.315 18833 400 1 1 . 1 1 74 74 GLN H H 74 7.568 7.568 7.675 -0.107 18833 401 1 1 . 1 1 75 75 ALA N N 75 123.337 123.337 123.020 0.317 18833 402 1 1 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.032 -0.238 18833 403 1 1 . 1 1 75 75 ALA C C 75 178.309 178.309 179.408 -1.099 18833 404 1 1 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.176 0.492 18833 405 1 1 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.289 1.079 18833 406 1 1 . 1 1 75 75 ALA H H 75 8.320 8.320 7.918 0.402 18833 407 1 1 . 1 1 76 76 VAL N N 76 118.172 118.172 118.742 -0.570 18833 408 1 1 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.691 -0.504 18833 409 1 1 . 1 1 76 76 VAL C C 76 179.705 179.705 177.622 2.083 18833 410 1 1 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.872 0.280 18833 411 1 1 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.561 -0.386 18833 412 1 1 . 1 1 76 76 VAL H H 76 8.122 8.122 7.916 0.206 18833 413 1 1 . 1 1 77 77 CYS N N 77 116.979 116.979 117.943 -0.964 18833 414 1 1 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.089 0.112 18833 415 1 1 . 1 1 77 77 CYS C C 77 177.004 177.004 177.660 -0.656 18833 416 1 1 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.119 -1.227 18833 417 1 1 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.401 11.142 18833 418 1 1 . 1 1 77 77 CYS H H 77 8.327 8.327 8.379 -0.052 18833 419 1 1 . 1 1 78 78 THR N N 78 117.521 117.521 117.155 0.366 18833 420 1 1 . 1 1 78 78 THR HA H 78 3.867 3.867 3.951 -0.084 18833 421 1 1 . 1 1 78 78 THR C C 78 176.306 176.306 176.856 -0.550 18833 422 1 1 . 1 1 78 78 THR CA C 78 67.197 67.197 66.488 0.709 18833 423 1 1 . 1 1 78 78 THR CB C 78 68.145 68.145 68.692 -0.547 18833 424 1 1 . 1 1 78 78 THR H H 78 8.259 8.259 8.083 0.176 18833 425 1 1 . 1 1 79 79 LEU N N 79 119.714 119.714 122.933 -3.219 18833 426 1 1 . 1 1 79 79 LEU HA H 79 3.836 3.836 4.002 -0.166 18833 427 1 1 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.876 0.074 18833 428 1 1 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.417 0.211 18833 429 1 1 . 1 1 79 79 LEU H H 79 7.748 7.748 7.594 0.154 18833 430 1 1 . 1 1 80 80 ARG N N 80 119.613 119.613 117.315 2.298 18833 431 1 1 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.009 0.106 18833 432 1 1 . 1 1 80 80 ARG C C 80 177.905 177.905 177.443 0.462 18833 433 1 1 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.574 -0.112 18833 434 1 1 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.893 0.877 18833 435 1 1 . 1 1 80 80 ARG H H 80 7.944 7.944 8.210 -0.266 18833 436 1 1 . 1 1 81 81 ASN N N 81 119.257 119.257 115.882 3.375 18833 437 1 1 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.755 0.206 18833 438 1 1 . 1 1 81 81 ASN C C 81 175.030 175.030 175.340 -0.310 18833 439 1 1 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.160 -0.354 18833 440 1 1 . 1 1 81 81 ASN CB C 81 37.454 37.454 40.086 -2.632 18833 441 1 1 . 1 1 81 81 ASN H H 81 7.843 7.843 7.815 0.028 18833 442 1 1 . 1 1 82 82 THR N N 82 109.817 109.817 113.580 -3.763 18833 443 1 1 . 1 1 82 82 THR HA H 82 4.391 4.391 4.472 -0.081 18833 444 1 1 . 1 1 82 82 THR C C 82 175.114 175.114 174.828 0.286 18833 445 1 1 . 1 1 82 82 THR CA C 82 60.155 60.155 61.520 -1.365 18833 446 1 1 . 1 1 82 82 THR CB C 82 72.327 72.327 70.836 1.491 18833 447 1 1 . 1 1 82 82 THR H H 82 7.514 7.514 7.827 -0.313 18833 448 1 1 . 1 1 83 83 GLY N N 83 109.536 109.536 107.463 2.073 18833 449 1 1 . 1 1 83 83 GLY C C 83 173.492 173.492 174.521 -1.029 18833 450 1 1 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.103 0.023 18833 451 1 1 . 1 1 83 83 GLY H H 83 8.406 8.406 8.464 -0.058 18833 452 1 1 . 1 1 84 84 GLN N N 84 117.293 117.293 118.627 -1.334 18833 453 1 1 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.209 -0.241 18833 454 1 1 . 1 1 84 84 GLN C C 84 175.351 175.351 175.470 -0.119 18833 455 1 1 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.068 0.444 18833 456 1 1 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.172 -0.149 18833 457 1 1 . 1 1 84 84 GLN H H 84 8.218 8.218 8.485 -0.267 18833 458 1 1 . 1 1 85 85 VAL N N 85 116.238 116.238 117.779 -1.541 18833 459 1 1 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.410 0.282 18833 460 1 1 . 1 1 85 85 VAL C C 85 175.864 175.864 175.157 0.707 18833 461 1 1 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.445 -0.103 18833 462 1 1 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.005 0.369 18833 463 1 1 . 1 1 85 85 VAL H H 85 7.715 7.715 7.740 -0.025 18833 464 1 1 . 1 1 86 86 VAL N N 86 128.273 128.273 125.945 2.328 18833 465 1 1 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.404 0.120 18833 466 1 1 . 1 1 86 86 VAL C C 86 173.320 173.320 173.744 -0.424 18833 467 1 1 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.961 -0.175 18833 468 1 1 . 1 1 86 86 VAL CB C 86 35.105 35.105 36.180 -1.075 18833 469 1 1 . 1 1 86 86 VAL H H 86 9.034 9.034 8.169 0.865 18833 470 1 1 . 1 1 87 87 HIS N N 87 126.224 126.224 125.165 1.059 18833 471 1 1 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.768 0.269 18833 472 1 1 . 1 1 87 87 HIS C C 87 174.442 174.442 173.966 0.476 18833 473 1 1 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.653 0.105 18833 474 1 1 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.155 1.346 18833 475 1 1 . 1 1 87 87 HIS H H 87 8.761 8.761 8.801 -0.040 18833 476 1 1 . 1 1 88 88 LEU N N 88 126.604 126.604 127.654 -1.050 18833 477 1 1 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.800 0.169 18833 478 1 1 . 1 1 88 88 LEU C C 88 173.306 173.306 174.381 -1.075 18833 479 1 1 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.446 0.203 18833 480 1 1 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.008 0.280 18833 481 1 1 . 1 1 88 88 LEU H H 88 9.045 9.045 9.042 0.003 18833 482 1 1 . 1 1 89 89 LEU N N 89 124.501 124.501 124.756 -0.255 18833 483 1 1 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.726 -0.005 18833 484 1 1 . 1 1 89 89 LEU C C 89 175.180 175.180 174.241 0.939 18833 485 1 1 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.383 0.355 18833 486 1 1 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.761 0.605 18833 487 1 1 . 1 1 89 89 LEU H H 89 7.977 7.977 8.549 -0.572 18833 488 1 1 . 1 1 90 90 LEU N N 90 127.520 127.520 125.808 1.712 18833 489 1 1 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.878 0.411 18833 490 1 1 . 1 1 90 90 LEU C C 90 173.616 173.616 174.397 -0.781 18833 491 1 1 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.661 0.494 18833 492 1 1 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.293 -0.273 18833 493 1 1 . 1 1 90 90 LEU H H 90 8.896 8.896 8.757 0.139 18833 494 1 1 . 1 1 91 91 GLU N N 91 118.964 118.964 120.345 -1.381 18833 495 1 1 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.003 0.083 18833 496 1 1 . 1 1 91 91 GLU C C 91 176.652 176.652 175.400 1.252 18833 497 1 1 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.144 -0.326 18833 498 1 1 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.543 0.363 18833 499 1 1 . 1 1 91 91 GLU H H 91 8.825 8.825 8.082 0.743 18833 500 1 1 . 1 1 92 92 LYS N N 92 128.805 128.805 124.694 4.111 18833 501 1 1 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.654 -0.285 18833 502 1 1 . 1 1 92 92 LYS C C 92 178.011 178.011 176.880 1.131 18833 503 1 1 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.505 -0.165 18833 504 1 1 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.254 -1.185 18833 505 1 1 . 1 1 92 92 LYS H H 92 9.333 9.333 8.946 0.387 18833 506 1 1 . 1 1 93 93 GLY N N 93 117.774 117.774 107.151 10.623 18833 507 1 1 . 1 1 93 93 GLY C C 93 173.157 173.157 174.168 -1.011 18833 508 1 1 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.666 0.509 18833 509 1 1 . 1 1 93 93 GLY H H 93 9.735 9.735 8.638 1.097 18833 510 1 1 . 1 1 94 94 GLN N N 94 116.912 116.912 118.630 -1.718 18833 511 1 1 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.765 -0.501 18833 512 1 1 . 1 1 94 94 GLN C C 94 175.955 175.955 175.307 0.648 18833 513 1 1 . 1 1 94 94 GLN CA C 94 55.501 55.501 53.821 1.680 18833 514 1 1 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.717 -0.999 18833 515 1 1 . 1 1 94 94 GLN H H 94 8.243 8.243 7.896 0.347 18833 516 1 1 . 1 1 95 95 SER N N 95 118.157 118.157 117.767 0.390 18833 517 1 1 . 1 1 95 95 SER HA H 95 4.662 4.662 4.602 0.060 18833 518 1 1 . 1 1 95 95 SER CA C 95 56.615 56.615 57.674 -1.059 18833 519 1 1 . 1 1 95 95 SER CB C 95 63.203 63.203 62.710 0.493 18833 520 1 1 . 1 1 95 95 SER H H 95 8.396 8.396 8.168 0.228 18833 521 1 1 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.514 -0.037 18833 522 1 1 . 1 1 96 96 PRO C C 96 176.303 176.303 176.583 -0.280 18833 523 1 1 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.004 0.510 18833 524 1 1 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.088 -0.159 18833 525 1 2 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.666 -0.194 18833 526 1 2 . 1 1 2 2 PRO C C 2 175.867 175.867 176.255 -0.388 18833 527 1 2 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.295 0.545 18833 528 1 2 . 1 1 2 2 PRO CB C 2 32.313 32.313 31.942 0.371 18833 529 1 2 . 1 1 3 3 LYS N N 3 124.698 124.698 123.784 0.914 18833 530 1 2 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.614 -0.007 18833 531 1 2 . 1 1 3 3 LYS CA C 3 53.607 53.607 53.636 -0.029 18833 532 1 2 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.570 -0.983 18833 533 1 2 . 1 1 3 3 LYS H H 3 8.933 8.933 8.191 0.742 18833 534 1 2 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.184 -0.243 18833 535 1 2 . 1 1 4 4 PRO C C 4 177.504 177.504 177.545 -0.041 18833 536 1 2 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.182 0.330 18833 537 1 2 . 1 1 4 4 PRO CB C 4 31.670 31.670 30.876 0.794 18833 538 1 2 . 1 1 5 5 GLY N N 5 113.652 113.652 113.368 0.284 18833 539 1 2 . 1 1 5 5 GLY C C 5 174.146 174.146 173.665 0.481 18833 540 1 2 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.817 0.255 18833 541 1 2 . 1 1 5 5 GLY H H 5 9.014 9.014 8.242 0.772 18833 542 1 2 . 1 1 6 6 ASP N N 6 121.766 121.766 120.818 0.948 18833 543 1 2 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.901 -0.230 18833 544 1 2 . 1 1 6 6 ASP C C 6 175.762 175.762 175.163 0.599 18833 545 1 2 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.986 1.913 18833 546 1 2 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.880 -1.474 18833 547 1 2 . 1 1 6 6 ASP H H 6 8.489 8.489 8.090 0.399 18833 548 1 2 . 1 1 7 7 ILE N N 7 121.794 121.794 123.958 -2.164 18833 549 1 2 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.830 0.503 18833 550 1 2 . 1 1 7 7 ILE C C 7 176.854 176.854 175.794 1.060 18833 551 1 2 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.376 -0.744 18833 552 1 2 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.355 -1.140 18833 553 1 2 . 1 1 7 7 ILE H H 7 8.368 8.368 8.495 -0.127 18833 554 1 2 . 1 1 8 8 PHE N N 8 125.873 125.873 125.247 0.626 18833 555 1 2 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.037 0.027 18833 556 1 2 . 1 1 8 8 PHE C C 8 171.167 171.167 173.201 -2.034 18833 557 1 2 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.353 0.196 18833 558 1 2 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.457 -0.124 18833 559 1 2 . 1 1 8 8 PHE H H 8 9.498 9.498 8.709 0.789 18833 560 1 2 . 1 1 9 9 GLU N N 9 119.065 119.065 120.408 -1.343 18833 561 1 2 . 1 1 9 9 GLU HA H 9 5.215 5.215 5.045 0.170 18833 562 1 2 . 1 1 9 9 GLU C C 9 176.019 176.019 176.054 -0.035 18833 563 1 2 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.187 -1.198 18833 564 1 2 . 1 1 9 9 GLU CB C 9 33.411 33.411 32.061 1.350 18833 565 1 2 . 1 1 9 9 GLU H H 9 8.502 8.502 8.513 -0.011 18833 566 1 2 . 1 1 10 10 VAL N N 10 120.078 120.078 124.197 -4.119 18833 567 1 2 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.343 -0.208 18833 568 1 2 . 1 1 10 10 VAL C C 10 173.177 173.177 174.413 -1.236 18833 569 1 2 . 1 1 10 10 VAL CA C 10 61.113 61.113 61.016 0.097 18833 570 1 2 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.686 2.095 18833 571 1 2 . 1 1 10 10 VAL H H 10 8.581 8.581 9.160 -0.579 18833 572 1 2 . 1 1 11 11 GLU N N 11 126.482 126.482 127.132 -0.650 18833 573 1 2 . 1 1 11 11 GLU HA H 11 4.999 4.999 4.983 0.016 18833 574 1 2 . 1 1 11 11 GLU C C 11 174.618 174.618 175.275 -0.657 18833 575 1 2 . 1 1 11 11 GLU CA C 11 54.814 54.814 55.127 -0.312 18833 576 1 2 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.576 0.432 18833 577 1 2 . 1 1 11 11 GLU H H 11 7.810 7.810 8.569 -0.759 18833 578 1 2 . 1 1 12 12 LEU N N 12 126.093 126.093 127.106 -1.013 18833 579 1 2 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.608 0.046 18833 580 1 2 . 1 1 12 12 LEU C C 12 174.013 174.013 174.751 -0.738 18833 581 1 2 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.170 0.004 18833 582 1 2 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.572 2.294 18833 583 1 2 . 1 1 12 12 LEU H H 12 8.888 8.888 8.062 0.826 18833 584 1 2 . 1 1 13 13 ALA N N 13 126.137 126.137 128.625 -2.488 18833 585 1 2 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.849 0.252 18833 586 1 2 . 1 1 13 13 ALA C C 13 177.290 177.290 177.286 0.004 18833 587 1 2 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.909 -1.026 18833 588 1 2 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.567 -1.158 18833 589 1 2 . 1 1 13 13 ALA H H 13 8.494 8.494 8.497 -0.003 18833 590 1 2 . 1 1 14 14 LYS N N 14 120.270 120.270 123.661 -3.391 18833 591 1 2 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.389 -0.591 18833 592 1 2 . 1 1 14 14 LYS C C 14 176.313 176.313 176.645 -0.332 18833 593 1 2 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.162 2.636 18833 594 1 2 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.428 2.485 18833 595 1 2 . 1 1 14 14 LYS H H 14 8.486 8.486 8.645 -0.159 18833 596 1 2 . 1 1 15 15 ASN N N 15 117.746 117.746 116.881 0.865 18833 597 1 2 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.506 0.318 18833 598 1 2 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.238 -2.459 18833 599 1 2 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.734 1.387 18833 600 1 2 . 1 1 15 15 ASN H H 15 8.139 8.139 8.228 -0.089 18833 601 1 2 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.676 -0.375 18833 602 1 2 . 1 1 16 16 ASP C C 16 175.367 175.367 176.453 -1.086 18833 603 1 2 . 1 1 16 16 ASP CA C 16 55.452 55.452 53.666 1.786 18833 604 1 2 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.979 -2.523 18833 605 1 2 . 1 1 17 17 ASN N N 17 111.793 111.793 118.003 -6.210 18833 606 1 2 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.648 -0.268 18833 607 1 2 . 1 1 17 17 ASN C C 17 174.599 174.599 175.240 -0.641 18833 608 1 2 . 1 1 17 17 ASN CA C 17 53.793 53.793 54.774 -0.981 18833 609 1 2 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.193 -0.477 18833 610 1 2 . 1 1 17 17 ASN H H 17 8.698 8.698 8.573 0.125 18833 611 1 2 . 1 1 18 18 SER N N 18 112.321 112.321 117.299 -4.978 18833 612 1 2 . 1 1 18 18 SER HA H 18 4.827 4.827 4.505 0.322 18833 613 1 2 . 1 1 18 18 SER CA C 18 56.795 56.795 58.606 -1.811 18833 614 1 2 . 1 1 18 18 SER CB C 18 64.855 64.855 63.471 1.384 18833 615 1 2 . 1 1 18 18 SER H H 18 7.989 7.989 8.400 -0.411 18833 616 1 2 . 1 1 19 19 LEU N N 19 127.097 127.097 127.274 -0.177 18833 617 1 2 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.187 -0.021 18833 618 1 2 . 1 1 19 19 LEU C C 19 177.329 177.329 178.207 -0.878 18833 619 1 2 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.180 0.333 18833 620 1 2 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.783 1.536 18833 621 1 2 . 1 1 19 19 LEU H H 19 9.247 9.247 8.390 0.857 18833 622 1 2 . 1 1 20 20 GLY N N 20 104.340 104.340 106.502 -2.162 18833 623 1 2 . 1 1 20 20 GLY C C 20 175.984 175.984 173.924 2.060 18833 624 1 2 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.608 1.191 18833 625 1 2 . 1 1 20 20 GLY H H 20 8.664 8.664 8.497 0.167 18833 626 1 2 . 1 1 21 21 ILE N N 21 115.279 115.279 117.764 -2.485 18833 627 1 2 . 1 1 21 21 ILE HA H 21 4.996 4.996 4.690 0.306 18833 628 1 2 . 1 1 21 21 ILE C C 21 175.972 175.972 176.035 -0.063 18833 629 1 2 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.698 0.083 18833 630 1 2 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.045 1.577 18833 631 1 2 . 1 1 21 21 ILE H H 21 7.614 7.614 7.741 -0.127 18833 632 1 2 . 1 1 22 22 CYS N N 22 122.210 122.210 120.706 1.504 18833 633 1 2 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.853 0.418 18833 634 1 2 . 1 1 22 22 CYS C C 22 175.904 175.904 172.786 3.118 18833 635 1 2 . 1 1 22 22 CYS CA C 22 51.945 51.945 58.160 -6.215 18833 636 1 2 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.485 3.707 18833 637 1 2 . 1 1 22 22 CYS H H 22 8.506 8.506 8.606 -0.100 18833 638 1 2 . 1 1 23 23 VAL N N 23 117.739 117.739 116.070 1.669 18833 639 1 2 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.227 0.240 18833 640 1 2 . 1 1 23 23 VAL C C 23 173.821 173.821 174.070 -0.249 18833 641 1 2 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.244 -0.424 18833 642 1 2 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.490 0.265 18833 643 1 2 . 1 1 23 23 VAL H H 23 9.203 9.203 8.481 0.722 18833 644 1 2 . 1 1 24 24 THR N N 24 114.753 114.753 114.296 0.457 18833 645 1 2 . 1 1 24 24 THR HA H 24 4.649 4.649 4.660 -0.011 18833 646 1 2 . 1 1 24 24 THR C C 24 171.786 171.786 172.995 -1.209 18833 647 1 2 . 1 1 24 24 THR CA C 24 59.529 59.529 59.923 -0.394 18833 648 1 2 . 1 1 24 24 THR CB C 24 70.563 70.563 70.601 -0.038 18833 649 1 2 . 1 1 24 24 THR H H 24 9.237 9.237 8.622 0.615 18833 650 1 2 . 1 1 25 25 GLY N N 25 111.927 111.927 109.341 2.586 18833 651 1 2 . 1 1 25 25 GLY C C 25 174.099 174.099 173.232 0.867 18833 652 1 2 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.512 0.100 18833 653 1 2 . 1 1 25 25 GLY H H 25 8.291 8.291 8.315 -0.024 18833 654 1 2 . 1 1 26 26 GLY N N 26 107.140 107.140 107.355 -0.215 18833 655 1 2 . 1 1 26 26 GLY C C 26 176.180 176.180 174.022 2.158 18833 656 1 2 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.383 -1.580 18833 657 1 2 . 1 1 26 26 GLY H H 26 7.545 7.545 8.474 -0.929 18833 658 1 2 . 1 1 27 27 VAL N N 27 116.837 116.837 121.845 -5.008 18833 659 1 2 . 1 1 27 27 VAL HA H 27 4.126 4.126 4.037 0.089 18833 660 1 2 . 1 1 27 27 VAL C C 27 175.764 175.764 175.900 -0.136 18833 661 1 2 . 1 1 27 27 VAL CA C 27 63.795 63.795 61.944 1.851 18833 662 1 2 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.623 1.360 18833 663 1 2 . 1 1 27 27 VAL H H 27 8.091 8.091 8.301 -0.210 18833 664 1 2 . 1 1 28 28 ASN N N 28 117.997 117.997 116.949 1.048 18833 665 1 2 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.490 0.319 18833 666 1 2 . 1 1 28 28 ASN C C 28 174.860 174.860 174.405 0.455 18833 667 1 2 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.666 -0.211 18833 668 1 2 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.477 0.271 18833 669 1 2 . 1 1 28 28 ASN H H 28 8.795 8.795 8.033 0.762 18833 670 1 2 . 1 1 29 29 THR N N 29 111.381 111.381 113.495 -2.114 18833 671 1 2 . 1 1 29 29 THR HA H 29 4.689 4.689 4.501 0.188 18833 672 1 2 . 1 1 29 29 THR CA C 29 61.526 61.526 61.145 0.381 18833 673 1 2 . 1 1 29 29 THR CB C 29 70.889 70.889 69.896 0.993 18833 674 1 2 . 1 1 29 29 THR H H 29 7.858 7.858 7.990 -0.132 18833 675 1 2 . 1 1 30 30 SER N N 30 114.070 114.070 115.426 -1.356 18833 676 1 2 . 1 1 30 30 SER HA H 30 4.535 4.535 4.202 0.333 18833 677 1 2 . 1 1 30 30 SER C C 30 174.879 174.879 174.511 0.368 18833 678 1 2 . 1 1 30 30 SER CA C 30 58.380 58.380 59.882 -1.502 18833 679 1 2 . 1 1 30 30 SER CB C 30 63.532 63.532 63.211 0.321 18833 680 1 2 . 1 1 30 30 SER H H 30 8.433 8.433 8.654 -0.221 18833 681 1 2 . 1 1 31 31 VAL N N 31 118.337 118.337 116.125 2.212 18833 682 1 2 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.128 -0.037 18833 683 1 2 . 1 1 31 31 VAL C C 31 176.528 176.528 176.567 -0.039 18833 684 1 2 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.591 0.554 18833 685 1 2 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.711 -0.211 18833 686 1 2 . 1 1 31 31 VAL H H 31 7.588 7.588 7.417 0.171 18833 687 1 2 . 1 1 32 32 ARG N N 32 124.670 124.670 127.821 -3.151 18833 688 1 2 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.011 0.000 18833 689 1 2 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.780 -0.808 18833 690 1 2 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.326 -0.751 18833 691 1 2 . 1 1 32 32 ARG H H 32 8.511 8.511 8.643 -0.132 18833 692 1 2 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.517 0.056 18833 693 1 2 . 1 1 33 33 HIS C C 33 175.064 175.064 175.540 -0.476 18833 694 1 2 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.073 0.758 18833 695 1 2 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.453 -0.335 18833 696 1 2 . 1 1 34 34 GLY N N 34 109.531 109.531 107.565 1.966 18833 697 1 2 . 1 1 34 34 GLY C C 34 174.582 174.582 174.716 -0.134 18833 698 1 2 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.550 1.031 18833 699 1 2 . 1 1 34 34 GLY H H 34 8.471 8.471 7.494 0.977 18833 700 1 2 . 1 1 35 35 GLY N N 35 105.151 105.151 107.369 -2.218 18833 701 1 2 . 1 1 35 35 GLY C C 35 170.505 170.505 174.204 -3.699 18833 702 1 2 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.947 0.630 18833 703 1 2 . 1 1 35 35 GLY H H 35 7.833 7.833 7.848 -0.015 18833 704 1 2 . 1 1 36 36 ILE N N 36 119.676 119.676 123.397 -3.721 18833 705 1 2 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.441 0.271 18833 706 1 2 . 1 1 36 36 ILE C C 36 174.641 174.641 175.301 -0.660 18833 707 1 2 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.160 -2.076 18833 708 1 2 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.648 0.084 18833 709 1 2 . 1 1 36 36 ILE H H 36 8.350 8.350 7.976 0.374 18833 710 1 2 . 1 1 37 37 TYR N N 37 123.307 123.307 127.626 -4.319 18833 711 1 2 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.751 0.556 18833 712 1 2 . 1 1 37 37 TYR C C 37 176.165 176.165 175.979 0.186 18833 713 1 2 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.405 -1.558 18833 714 1 2 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.181 2.148 18833 715 1 2 . 1 1 37 37 TYR H H 37 8.892 8.892 8.787 0.105 18833 716 1 2 . 1 1 38 38 VAL N N 38 120.580 120.580 121.547 -0.967 18833 717 1 2 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.107 -0.371 18833 718 1 2 . 1 1 38 38 VAL C C 38 175.983 175.983 176.163 -0.180 18833 719 1 2 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.179 0.491 18833 720 1 2 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.575 -0.047 18833 721 1 2 . 1 1 38 38 VAL H H 38 9.365 9.365 9.237 0.128 18833 722 1 2 . 1 1 39 39 LYS N N 39 133.297 133.297 128.936 4.361 18833 723 1 2 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.446 -0.061 18833 724 1 2 . 1 1 39 39 LYS C C 39 174.520 174.520 175.600 -1.080 18833 725 1 2 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.325 0.184 18833 726 1 2 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.367 0.266 18833 727 1 2 . 1 1 39 39 LYS H H 39 9.560 9.560 8.384 1.176 18833 728 1 2 . 1 1 40 40 ALA N N 40 118.155 118.155 119.745 -1.590 18833 729 1 2 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.593 -0.088 18833 730 1 2 . 1 1 40 40 ALA C C 40 174.639 174.639 174.667 -0.028 18833 731 1 2 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.781 0.014 18833 732 1 2 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.574 0.906 18833 733 1 2 . 1 1 40 40 ALA H H 40 7.498 7.498 7.396 0.102 18833 734 1 2 . 1 1 41 41 VAL N N 41 121.634 121.634 119.509 2.125 18833 735 1 2 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.764 -0.355 18833 736 1 2 . 1 1 41 41 VAL C C 41 175.829 175.829 175.471 0.358 18833 737 1 2 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.994 0.310 18833 738 1 2 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.347 -3.152 18833 739 1 2 . 1 1 41 41 VAL H H 41 8.634 8.634 8.276 0.358 18833 740 1 2 . 1 1 42 42 ILE N N 42 128.094 128.094 126.780 1.314 18833 741 1 2 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.406 -0.260 18833 742 1 2 . 1 1 42 42 ILE CA C 42 58.646 58.646 57.544 1.102 18833 743 1 2 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.334 0.671 18833 744 1 2 . 1 1 42 42 ILE H H 42 7.944 7.944 8.311 -0.367 18833 745 1 2 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.382 0.069 18833 746 1 2 . 1 1 43 43 PRO C C 43 177.234 177.234 176.235 0.999 18833 747 1 2 . 1 1 43 43 PRO CA C 43 64.197 64.197 64.009 0.188 18833 748 1 2 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.194 0.651 18833 749 1 2 . 1 1 44 44 GLN N N 44 116.825 116.825 115.264 1.561 18833 750 1 2 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.931 -0.082 18833 751 1 2 . 1 1 44 44 GLN C C 44 175.752 175.752 175.554 0.198 18833 752 1 2 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.932 1.200 18833 753 1 2 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.069 0.405 18833 754 1 2 . 1 1 44 44 GLN H H 44 9.345 9.345 9.529 -0.184 18833 755 1 2 . 1 1 45 45 GLY N N 45 106.186 106.186 105.133 1.053 18833 756 1 2 . 1 1 45 45 GLY C C 45 174.374 174.374 174.463 -0.089 18833 757 1 2 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.372 0.352 18833 758 1 2 . 1 1 45 45 GLY H H 45 7.887 7.887 7.960 -0.073 18833 759 1 2 . 1 1 46 46 ALA N N 46 120.843 120.843 123.970 -3.127 18833 760 1 2 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.974 0.085 18833 761 1 2 . 1 1 46 46 ALA C C 46 180.628 180.628 179.114 1.514 18833 762 1 2 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.285 -0.249 18833 763 1 2 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.749 -0.127 18833 764 1 2 . 1 1 46 46 ALA H H 46 8.907 8.907 8.139 0.768 18833 765 1 2 . 1 1 47 47 ALA N N 47 118.721 118.721 121.017 -2.296 18833 766 1 2 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.866 0.205 18833 767 1 2 . 1 1 47 47 ALA C C 47 180.589 180.589 179.276 1.313 18833 768 1 2 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.319 -0.472 18833 769 1 2 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.735 1.034 18833 770 1 2 . 1 1 47 47 ALA H H 47 7.856 7.856 7.915 -0.059 18833 771 1 2 . 1 1 48 48 GLU N N 48 124.373 124.373 118.587 5.786 18833 772 1 2 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.847 -0.038 18833 773 1 2 . 1 1 48 48 GLU C C 48 178.120 178.120 178.892 -0.772 18833 774 1 2 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.837 1.020 18833 775 1 2 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.509 0.111 18833 776 1 2 . 1 1 48 48 GLU H H 48 9.195 9.195 8.662 0.533 18833 777 1 2 . 1 1 49 49 SER N N 49 113.220 113.220 114.431 -1.211 18833 778 1 2 . 1 1 49 49 SER HA H 49 4.099 4.099 4.191 -0.092 18833 779 1 2 . 1 1 49 49 SER C C 49 175.707 175.707 176.223 -0.516 18833 780 1 2 . 1 1 49 49 SER CA C 49 61.168 61.168 61.522 -0.354 18833 781 1 2 . 1 1 49 49 SER CB C 49 62.775 62.775 63.176 -0.401 18833 782 1 2 . 1 1 49 49 SER H H 49 8.020 8.020 8.109 -0.089 18833 783 1 2 . 1 1 50 50 ASP N N 50 120.022 120.022 119.802 0.220 18833 784 1 2 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.465 -0.085 18833 785 1 2 . 1 1 50 50 ASP C C 50 177.650 177.650 177.501 0.149 18833 786 1 2 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.968 1.229 18833 787 1 2 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.514 2.721 18833 788 1 2 . 1 1 50 50 ASP H H 50 7.579 7.579 7.739 -0.160 18833 789 1 2 . 1 1 51 51 GLY N N 51 102.979 102.979 105.687 -2.708 18833 790 1 2 . 1 1 51 51 GLY C C 51 175.026 175.026 175.291 -0.265 18833 791 1 2 . 1 1 51 51 GLY CA C 51 46.346 46.346 46.216 0.130 18833 792 1 2 . 1 1 51 51 GLY H H 51 7.364 7.364 8.241 -0.877 18833 793 1 2 . 1 1 52 52 ARG N N 52 117.501 117.501 120.307 -2.806 18833 794 1 2 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.225 0.083 18833 795 1 2 . 1 1 52 52 ARG C C 52 175.898 175.898 176.688 -0.790 18833 796 1 2 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.452 0.452 18833 797 1 2 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.677 2.322 18833 798 1 2 . 1 1 52 52 ARG H H 52 7.958 7.958 7.720 0.238 18833 799 1 2 . 1 1 53 53 ILE N N 53 120.028 120.028 120.063 -0.035 18833 800 1 2 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.255 -0.023 18833 801 1 2 . 1 1 53 53 ILE C C 53 173.773 173.773 174.450 -0.677 18833 802 1 2 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.576 0.853 18833 803 1 2 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.586 1.113 18833 804 1 2 . 1 1 53 53 ILE H H 53 8.223 8.223 7.461 0.762 18833 805 1 2 . 1 1 54 54 HIS N N 54 123.681 123.681 124.029 -0.348 18833 806 1 2 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.935 -0.134 18833 807 1 2 . 1 1 54 54 HIS C C 54 173.826 173.826 174.313 -0.487 18833 808 1 2 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.929 -0.044 18833 809 1 2 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.839 -0.340 18833 810 1 2 . 1 1 54 54 HIS H H 54 9.073 9.073 9.387 -0.314 18833 811 1 2 . 1 1 55 55 LYS N N 55 120.814 120.814 119.341 1.473 18833 812 1 2 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.056 -0.446 18833 813 1 2 . 1 1 55 55 LYS C C 55 177.014 177.014 177.538 -0.524 18833 814 1 2 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.188 1.245 18833 815 1 2 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.942 0.418 18833 816 1 2 . 1 1 55 55 LYS H H 55 8.715 8.715 8.569 0.146 18833 817 1 2 . 1 1 56 56 GLY N N 56 114.423 114.423 111.071 3.352 18833 818 1 2 . 1 1 56 56 GLY C C 56 174.469 174.469 173.998 0.471 18833 819 1 2 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.961 -0.123 18833 820 1 2 . 1 1 56 56 GLY H H 56 9.128 9.128 8.656 0.472 18833 821 1 2 . 1 1 57 57 ASP N N 57 121.735 121.735 123.190 -1.455 18833 822 1 2 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.856 0.027 18833 823 1 2 . 1 1 57 57 ASP C C 57 174.808 174.808 174.686 0.122 18833 824 1 2 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.805 0.022 18833 825 1 2 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.419 -1.364 18833 826 1 2 . 1 1 57 57 ASP H H 57 8.033 8.033 7.797 0.236 18833 827 1 2 . 1 1 58 58 ARG N N 58 123.530 123.530 119.192 4.338 18833 828 1 2 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.995 -0.357 18833 829 1 2 . 1 1 58 58 ARG C C 58 175.641 175.641 174.381 1.260 18833 830 1 2 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.611 0.089 18833 831 1 2 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.781 0.850 18833 832 1 2 . 1 1 58 58 ARG H H 58 9.097 9.097 8.572 0.525 18833 833 1 2 . 1 1 59 59 VAL N N 59 126.202 126.202 120.775 5.427 18833 834 1 2 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.491 -0.586 18833 835 1 2 . 1 1 59 59 VAL C C 59 174.515 174.515 175.305 -0.790 18833 836 1 2 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.143 1.009 18833 837 1 2 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.494 -2.420 18833 838 1 2 . 1 1 59 59 VAL H H 59 8.898 8.898 8.753 0.145 18833 839 1 2 . 1 1 60 60 LEU N N 60 127.209 127.209 120.038 7.171 18833 840 1 2 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.896 -0.576 18833 841 1 2 . 1 1 60 60 LEU C C 60 178.352 178.352 176.161 2.191 18833 842 1 2 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.943 1.218 18833 843 1 2 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.439 -0.814 18833 844 1 2 . 1 1 60 60 LEU H H 60 9.193 9.193 8.748 0.445 18833 845 1 2 . 1 1 61 61 ALA N N 61 118.965 118.965 120.096 -1.131 18833 846 1 2 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.400 -0.461 18833 847 1 2 . 1 1 61 61 ALA C C 61 175.332 175.332 175.389 -0.057 18833 848 1 2 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.239 2.053 18833 849 1 2 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.836 -0.750 18833 850 1 2 . 1 1 61 61 ALA H H 61 7.759 7.759 7.524 0.235 18833 851 1 2 . 1 1 62 62 VAL N N 62 119.695 119.695 119.495 0.200 18833 852 1 2 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.411 0.073 18833 853 1 2 . 1 1 62 62 VAL C C 62 175.538 175.538 175.941 -0.403 18833 854 1 2 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.443 -0.906 18833 855 1 2 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.089 -0.128 18833 856 1 2 . 1 1 62 62 VAL H H 62 8.218 8.218 8.274 -0.056 18833 857 1 2 . 1 1 63 63 ASN N N 63 128.940 128.940 128.089 0.851 18833 858 1 2 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.407 0.164 18833 859 1 2 . 1 1 63 63 ASN C C 63 175.155 175.155 175.494 -0.339 18833 860 1 2 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.346 0.113 18833 861 1 2 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.164 -1.245 18833 862 1 2 . 1 1 63 63 ASN H H 63 10.387 10.387 9.492 0.895 18833 863 1 2 . 1 1 64 64 GLY N N 64 103.432 103.432 101.939 1.493 18833 864 1 2 . 1 1 64 64 GLY C C 64 173.902 173.902 174.023 -0.121 18833 865 1 2 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.004 0.193 18833 866 1 2 . 1 1 64 64 GLY H H 64 9.094 9.094 8.603 0.491 18833 867 1 2 . 1 1 65 65 VAL N N 65 123.418 123.418 122.103 1.315 18833 868 1 2 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.185 -0.209 18833 869 1 2 . 1 1 65 65 VAL C C 65 175.675 175.675 175.386 0.289 18833 870 1 2 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.132 0.930 18833 871 1 2 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.803 -0.974 18833 872 1 2 . 1 1 65 65 VAL H H 65 7.948 7.948 7.772 0.176 18833 873 1 2 . 1 1 66 66 SER N N 66 121.122 121.122 124.635 -3.513 18833 874 1 2 . 1 1 66 66 SER HA H 66 4.365 4.365 4.374 -0.009 18833 875 1 2 . 1 1 66 66 SER C C 66 176.402 176.402 174.223 2.179 18833 876 1 2 . 1 1 66 66 SER CA C 66 58.310 58.310 59.171 -0.861 18833 877 1 2 . 1 1 66 66 SER CB C 66 63.651 63.651 63.238 0.413 18833 878 1 2 . 1 1 66 66 SER H H 66 8.671 8.671 8.784 -0.113 18833 879 1 2 . 1 1 67 67 LEU N N 67 125.351 125.351 125.654 -0.303 18833 880 1 2 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.468 -0.028 18833 881 1 2 . 1 1 67 67 LEU C C 67 176.359 176.359 176.871 -0.512 18833 882 1 2 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.211 -0.343 18833 883 1 2 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.473 -0.492 18833 884 1 2 . 1 1 67 67 LEU H H 67 8.205 8.205 8.636 -0.431 18833 885 1 2 . 1 1 68 68 GLU N N 68 123.211 123.211 119.302 3.909 18833 886 1 2 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.148 -0.102 18833 887 1 2 . 1 1 68 68 GLU C C 68 177.820 177.820 177.614 0.206 18833 888 1 2 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.264 1.271 18833 889 1 2 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.446 -0.366 18833 890 1 2 . 1 1 68 68 GLU H H 68 8.300 8.300 7.529 0.771 18833 891 1 2 . 1 1 69 69 GLY N N 69 115.507 115.507 112.681 2.826 18833 892 1 2 . 1 1 69 69 GLY C C 69 173.652 173.652 174.238 -0.586 18833 893 1 2 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.235 0.112 18833 894 1 2 . 1 1 69 69 GLY H H 69 8.945 8.945 9.040 -0.095 18833 895 1 2 . 1 1 70 70 ALA N N 70 122.308 122.308 124.722 -2.414 18833 896 1 2 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.382 0.108 18833 897 1 2 . 1 1 70 70 ALA C C 70 179.583 179.583 176.366 3.217 18833 898 1 2 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.104 0.380 18833 899 1 2 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.714 -0.126 18833 900 1 2 . 1 1 70 70 ALA H H 70 7.882 7.882 7.482 0.400 18833 901 1 2 . 1 1 71 71 THR N N 71 111.173 111.173 111.014 0.159 18833 902 1 2 . 1 1 71 71 THR HA H 71 4.526 4.526 4.340 0.186 18833 903 1 2 . 1 1 71 71 THR C C 71 174.660 174.660 175.982 -1.322 18833 904 1 2 . 1 1 71 71 THR CA C 71 60.732 60.732 60.789 -0.057 18833 905 1 2 . 1 1 71 71 THR CB C 71 71.196 71.196 70.684 0.511 18833 906 1 2 . 1 1 71 71 THR H H 71 8.185 8.185 7.896 0.289 18833 907 1 2 . 1 1 72 72 HIS N N 72 121.107 121.107 119.687 1.420 18833 908 1 2 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.165 -0.164 18833 909 1 2 . 1 1 72 72 HIS C C 72 176.702 176.702 177.261 -0.559 18833 910 1 2 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.807 1.645 18833 911 1 2 . 1 1 72 72 HIS CB C 72 30.309 30.309 28.949 1.360 18833 912 1 2 . 1 1 72 72 HIS H H 72 9.077 9.077 8.870 0.207 18833 913 1 2 . 1 1 73 73 LYS N N 73 116.672 116.672 117.902 -1.230 18833 914 1 2 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.949 -0.193 18833 915 1 2 . 1 1 73 73 LYS C C 73 178.603 178.603 178.900 -0.297 18833 916 1 2 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.376 0.646 18833 917 1 2 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.554 0.906 18833 918 1 2 . 1 1 73 73 LYS H H 73 8.473 8.473 7.698 0.775 18833 919 1 2 . 1 1 74 74 GLN N N 74 116.558 116.558 119.787 -3.229 18833 920 1 2 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.082 -0.150 18833 921 1 2 . 1 1 74 74 GLN C C 74 179.891 179.891 178.591 1.300 18833 922 1 2 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.834 -0.263 18833 923 1 2 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.079 0.246 18833 924 1 2 . 1 1 74 74 GLN H H 74 7.568 7.568 7.621 -0.053 18833 925 1 2 . 1 1 75 75 ALA N N 75 123.337 123.337 121.574 1.763 18833 926 1 2 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.050 -0.256 18833 927 1 2 . 1 1 75 75 ALA C C 75 178.309 178.309 179.121 -0.812 18833 928 1 2 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.264 0.404 18833 929 1 2 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.233 1.135 18833 930 1 2 . 1 1 75 75 ALA H H 75 8.320 8.320 7.985 0.335 18833 931 1 2 . 1 1 76 76 VAL N N 76 118.172 118.172 118.935 -0.763 18833 932 1 2 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.729 -0.542 18833 933 1 2 . 1 1 76 76 VAL C C 76 179.705 179.705 177.447 2.258 18833 934 1 2 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.138 1.014 18833 935 1 2 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.710 -0.535 18833 936 1 2 . 1 1 76 76 VAL H H 76 8.122 8.122 7.406 0.716 18833 937 1 2 . 1 1 77 77 CYS N N 77 116.979 116.979 118.023 -1.044 18833 938 1 2 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.075 0.126 18833 939 1 2 . 1 1 77 77 CYS C C 77 177.004 177.004 177.587 -0.583 18833 940 1 2 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.096 -1.204 18833 941 1 2 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.345 11.198 18833 942 1 2 . 1 1 77 77 CYS H H 77 8.327 8.327 8.618 -0.291 18833 943 1 2 . 1 1 78 78 THR N N 78 117.521 117.521 117.001 0.520 18833 944 1 2 . 1 1 78 78 THR HA H 78 3.867 3.867 3.932 -0.065 18833 945 1 2 . 1 1 78 78 THR C C 78 176.306 176.306 176.220 0.086 18833 946 1 2 . 1 1 78 78 THR CA C 78 67.197 67.197 66.620 0.577 18833 947 1 2 . 1 1 78 78 THR CB C 78 68.145 68.145 68.659 -0.514 18833 948 1 2 . 1 1 78 78 THR H H 78 8.259 8.259 8.158 0.101 18833 949 1 2 . 1 1 79 79 LEU N N 79 119.714 119.714 121.107 -1.393 18833 950 1 2 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.943 -0.107 18833 951 1 2 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.883 0.068 18833 952 1 2 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.274 0.354 18833 953 1 2 . 1 1 79 79 LEU H H 79 7.748 7.748 7.488 0.260 18833 954 1 2 . 1 1 80 80 ARG N N 80 119.613 119.613 117.732 1.881 18833 955 1 2 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.976 0.139 18833 956 1 2 . 1 1 80 80 ARG C C 80 177.905 177.905 178.314 -0.409 18833 957 1 2 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.351 -0.889 18833 958 1 2 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.898 0.872 18833 959 1 2 . 1 1 80 80 ARG H H 80 7.944 7.944 7.769 0.175 18833 960 1 2 . 1 1 81 81 ASN N N 81 119.257 119.257 114.624 4.633 18833 961 1 2 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.784 0.177 18833 962 1 2 . 1 1 81 81 ASN C C 81 175.030 175.030 175.579 -0.549 18833 963 1 2 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.627 -0.821 18833 964 1 2 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.242 -1.788 18833 965 1 2 . 1 1 81 81 ASN H H 81 7.843 7.843 7.838 0.005 18833 966 1 2 . 1 1 82 82 THR N N 82 109.817 109.817 113.342 -3.525 18833 967 1 2 . 1 1 82 82 THR HA H 82 4.391 4.391 4.506 -0.115 18833 968 1 2 . 1 1 82 82 THR C C 82 175.114 175.114 174.942 0.172 18833 969 1 2 . 1 1 82 82 THR CA C 82 60.155 60.155 61.587 -1.432 18833 970 1 2 . 1 1 82 82 THR CB C 82 72.327 72.327 70.674 1.653 18833 971 1 2 . 1 1 82 82 THR H H 82 7.514 7.514 7.583 -0.069 18833 972 1 2 . 1 1 83 83 GLY N N 83 109.536 109.536 106.477 3.059 18833 973 1 2 . 1 1 83 83 GLY C C 83 173.492 173.492 175.060 -1.568 18833 974 1 2 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.096 0.030 18833 975 1 2 . 1 1 83 83 GLY H H 83 8.406 8.406 8.429 -0.023 18833 976 1 2 . 1 1 84 84 GLN N N 84 117.293 117.293 117.559 -0.266 18833 977 1 2 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.176 -0.208 18833 978 1 2 . 1 1 84 84 GLN C C 84 175.351 175.351 175.415 -0.064 18833 979 1 2 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.745 0.768 18833 980 1 2 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.157 -0.134 18833 981 1 2 . 1 1 84 84 GLN H H 84 8.218 8.218 8.586 -0.368 18833 982 1 2 . 1 1 85 85 VAL N N 85 116.238 116.238 119.172 -2.934 18833 983 1 2 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.580 0.112 18833 984 1 2 . 1 1 85 85 VAL C C 85 175.864 175.864 174.899 0.965 18833 985 1 2 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.522 -0.180 18833 986 1 2 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.642 -0.268 18833 987 1 2 . 1 1 85 85 VAL H H 85 7.715 7.715 7.652 0.063 18833 988 1 2 . 1 1 86 86 VAL N N 86 128.273 128.273 126.151 2.122 18833 989 1 2 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.458 0.066 18833 990 1 2 . 1 1 86 86 VAL C C 86 173.320 173.320 174.345 -1.025 18833 991 1 2 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.324 0.462 18833 992 1 2 . 1 1 86 86 VAL CB C 86 35.105 35.105 36.136 -1.031 18833 993 1 2 . 1 1 86 86 VAL H H 86 9.034 9.034 8.152 0.882 18833 994 1 2 . 1 1 87 87 HIS N N 87 126.224 126.224 122.668 3.556 18833 995 1 2 . 1 1 87 87 HIS HA H 87 5.037 5.037 5.009 0.028 18833 996 1 2 . 1 1 87 87 HIS C C 87 174.442 174.442 174.429 0.013 18833 997 1 2 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.202 0.556 18833 998 1 2 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.641 0.860 18833 999 1 2 . 1 1 87 87 HIS H H 87 8.761 8.761 8.689 0.072 18833 1000 1 2 . 1 1 88 88 LEU N N 88 126.604 126.604 124.652 1.952 18833 1001 1 2 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.761 0.208 18833 1002 1 2 . 1 1 88 88 LEU C C 88 173.306 173.306 174.663 -1.357 18833 1003 1 2 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.603 0.046 18833 1004 1 2 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.807 0.481 18833 1005 1 2 . 1 1 88 88 LEU H H 88 9.045 9.045 9.216 -0.171 18833 1006 1 2 . 1 1 89 89 LEU N N 89 124.501 124.501 124.751 -0.250 18833 1007 1 2 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.964 -0.243 18833 1008 1 2 . 1 1 89 89 LEU C C 89 175.180 175.180 174.398 0.782 18833 1009 1 2 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.433 0.305 18833 1010 1 2 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.665 0.701 18833 1011 1 2 . 1 1 89 89 LEU H H 89 7.977 7.977 8.703 -0.726 18833 1012 1 2 . 1 1 90 90 LEU N N 90 127.520 127.520 126.170 1.350 18833 1013 1 2 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.737 0.552 18833 1014 1 2 . 1 1 90 90 LEU C C 90 173.616 173.616 174.292 -0.676 18833 1015 1 2 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.754 0.401 18833 1016 1 2 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.319 -0.299 18833 1017 1 2 . 1 1 90 90 LEU H H 90 8.896 8.896 8.739 0.157 18833 1018 1 2 . 1 1 91 91 GLU N N 91 118.964 118.964 120.574 -1.610 18833 1019 1 2 . 1 1 91 91 GLU HA H 91 5.086 5.086 4.997 0.089 18833 1020 1 2 . 1 1 91 91 GLU C C 91 176.652 176.652 175.700 0.952 18833 1021 1 2 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.296 -0.478 18833 1022 1 2 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.281 0.625 18833 1023 1 2 . 1 1 91 91 GLU H H 91 8.825 8.825 8.085 0.740 18833 1024 1 2 . 1 1 92 92 LYS N N 92 128.805 128.805 127.612 1.193 18833 1025 1 2 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.584 -0.215 18833 1026 1 2 . 1 1 92 92 LYS C C 92 178.011 178.011 175.773 2.238 18833 1027 1 2 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.079 -0.739 18833 1028 1 2 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.525 -1.456 18833 1029 1 2 . 1 1 92 92 LYS H H 92 9.333 9.333 8.930 0.403 18833 1030 1 2 . 1 1 93 93 GLY N N 93 117.774 117.774 110.843 6.931 18833 1031 1 2 . 1 1 93 93 GLY C C 93 173.157 173.157 173.340 -0.183 18833 1032 1 2 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.882 0.293 18833 1033 1 2 . 1 1 93 93 GLY H H 93 9.735 9.735 8.504 1.231 18833 1034 1 2 . 1 1 94 94 GLN N N 94 116.912 116.912 119.647 -2.735 18833 1035 1 2 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.796 -0.532 18833 1036 1 2 . 1 1 94 94 GLN C C 94 175.955 175.955 176.051 -0.096 18833 1037 1 2 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.502 -0.000 18833 1038 1 2 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.325 -0.607 18833 1039 1 2 . 1 1 94 94 GLN H H 94 8.243 8.243 8.208 0.035 18833 1040 1 2 . 1 1 95 95 SER N N 95 118.157 118.157 120.504 -2.347 18833 1041 1 2 . 1 1 95 95 SER HA H 95 4.662 4.662 4.892 -0.230 18833 1042 1 2 . 1 1 95 95 SER CA C 95 56.615 56.615 55.794 0.821 18833 1043 1 2 . 1 1 95 95 SER CB C 95 63.203 63.203 63.840 -0.637 18833 1044 1 2 . 1 1 95 95 SER H H 95 8.396 8.396 8.694 -0.298 18833 1045 1 2 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.550 -0.073 18833 1046 1 2 . 1 1 96 96 PRO C C 96 176.303 176.303 176.463 -0.160 18833 1047 1 2 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.766 0.748 18833 1048 1 2 . 1 1 96 96 PRO CB C 96 31.929 31.929 30.908 1.021 18833 1049 1 3 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.196 0.276 18833 1050 1 3 . 1 1 2 2 PRO C C 2 175.867 175.867 176.050 -0.183 18833 1051 1 3 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.444 0.396 18833 1052 1 3 . 1 1 2 2 PRO CB C 2 32.313 32.313 31.015 1.298 18833 1053 1 3 . 1 1 3 3 LYS N N 3 124.698 124.698 125.000 -0.302 18833 1054 1 3 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.463 0.144 18833 1055 1 3 . 1 1 3 3 LYS CA C 3 53.607 53.607 53.853 -0.246 18833 1056 1 3 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.146 -0.559 18833 1057 1 3 . 1 1 3 3 LYS H H 3 8.933 8.933 7.934 0.999 18833 1058 1 3 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.234 -0.293 18833 1059 1 3 . 1 1 4 4 PRO C C 4 177.504 177.504 177.533 -0.029 18833 1060 1 3 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.065 0.447 18833 1061 1 3 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.209 0.461 18833 1062 1 3 . 1 1 5 5 GLY N N 5 113.652 113.652 112.721 0.931 18833 1063 1 3 . 1 1 5 5 GLY C C 5 174.146 174.146 173.577 0.569 18833 1064 1 3 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.831 0.241 18833 1065 1 3 . 1 1 5 5 GLY H H 5 9.014 9.014 8.547 0.467 18833 1066 1 3 . 1 1 6 6 ASP N N 6 121.766 121.766 120.976 0.790 18833 1067 1 3 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.865 -0.194 18833 1068 1 3 . 1 1 6 6 ASP C C 6 175.762 175.762 175.261 0.501 18833 1069 1 3 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.824 2.075 18833 1070 1 3 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.807 -1.401 18833 1071 1 3 . 1 1 6 6 ASP H H 6 8.489 8.489 8.079 0.409 18833 1072 1 3 . 1 1 7 7 ILE N N 7 121.794 121.794 123.650 -1.856 18833 1073 1 3 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.765 0.568 18833 1074 1 3 . 1 1 7 7 ILE C C 7 176.854 176.854 175.984 0.870 18833 1075 1 3 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.462 -0.829 18833 1076 1 3 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.766 -0.551 18833 1077 1 3 . 1 1 7 7 ILE H H 7 8.368 8.368 8.541 -0.173 18833 1078 1 3 . 1 1 8 8 PHE N N 8 125.873 125.873 125.543 0.330 18833 1079 1 3 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.973 0.091 18833 1080 1 3 . 1 1 8 8 PHE C C 8 171.167 171.167 173.157 -1.990 18833 1081 1 3 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.185 0.365 18833 1082 1 3 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.575 -0.242 18833 1083 1 3 . 1 1 8 8 PHE H H 8 9.498 9.498 8.908 0.590 18833 1084 1 3 . 1 1 9 9 GLU N N 9 119.065 119.065 122.414 -3.349 18833 1085 1 3 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.973 0.242 18833 1086 1 3 . 1 1 9 9 GLU C C 9 176.019 176.019 175.671 0.348 18833 1087 1 3 . 1 1 9 9 GLU CA C 9 53.989 53.989 54.630 -0.641 18833 1088 1 3 . 1 1 9 9 GLU CB C 9 33.411 33.411 32.559 0.852 18833 1089 1 3 . 1 1 9 9 GLU H H 9 8.502 8.502 8.518 -0.016 18833 1090 1 3 . 1 1 10 10 VAL N N 10 120.078 120.078 126.397 -6.319 18833 1091 1 3 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.384 -0.249 18833 1092 1 3 . 1 1 10 10 VAL C C 10 173.177 173.177 174.331 -1.154 18833 1093 1 3 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.803 0.310 18833 1094 1 3 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.849 1.932 18833 1095 1 3 . 1 1 10 10 VAL H H 10 8.581 8.581 9.170 -0.589 18833 1096 1 3 . 1 1 11 11 GLU N N 11 126.482 126.482 127.248 -0.766 18833 1097 1 3 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.301 -0.302 18833 1098 1 3 . 1 1 11 11 GLU C C 11 174.618 174.618 175.067 -0.449 18833 1099 1 3 . 1 1 11 11 GLU CA C 11 54.814 54.814 53.945 0.869 18833 1100 1 3 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.178 0.830 18833 1101 1 3 . 1 1 11 11 GLU H H 11 7.810 7.810 8.646 -0.836 18833 1102 1 3 . 1 1 12 12 LEU N N 12 126.093 126.093 126.828 -0.735 18833 1103 1 3 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.619 0.035 18833 1104 1 3 . 1 1 12 12 LEU C C 12 174.013 174.013 175.166 -1.153 18833 1105 1 3 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.314 -0.140 18833 1106 1 3 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.631 2.235 18833 1107 1 3 . 1 1 12 12 LEU H H 12 8.888 8.888 8.392 0.496 18833 1108 1 3 . 1 1 13 13 ALA N N 13 126.137 126.137 128.373 -2.236 18833 1109 1 3 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.900 0.201 18833 1110 1 3 . 1 1 13 13 ALA C C 13 177.290 177.290 177.163 0.127 18833 1111 1 3 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.855 -0.972 18833 1112 1 3 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.561 -1.152 18833 1113 1 3 . 1 1 13 13 ALA H H 13 8.494 8.494 8.504 -0.010 18833 1114 1 3 . 1 1 14 14 LYS N N 14 120.270 120.270 123.241 -2.971 18833 1115 1 3 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.462 -0.664 18833 1116 1 3 . 1 1 14 14 LYS C C 14 176.313 176.313 176.642 -0.329 18833 1117 1 3 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.041 2.757 18833 1118 1 3 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.591 2.322 18833 1119 1 3 . 1 1 14 14 LYS H H 14 8.486 8.486 8.344 0.142 18833 1120 1 3 . 1 1 15 15 ASN N N 15 117.746 117.746 116.799 0.947 18833 1121 1 3 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.492 0.332 18833 1122 1 3 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.112 -2.333 18833 1123 1 3 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.568 1.554 18833 1124 1 3 . 1 1 15 15 ASN H H 15 8.139 8.139 8.370 -0.231 18833 1125 1 3 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.628 -0.327 18833 1126 1 3 . 1 1 16 16 ASP C C 16 175.367 175.367 176.016 -0.649 18833 1127 1 3 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.547 0.905 18833 1128 1 3 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.240 -1.784 18833 1129 1 3 . 1 1 17 17 ASN N N 17 111.793 111.793 117.391 -5.598 18833 1130 1 3 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.702 -0.322 18833 1131 1 3 . 1 1 17 17 ASN C C 17 174.599 174.599 174.485 0.114 18833 1132 1 3 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.210 0.583 18833 1133 1 3 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.696 -1.980 18833 1134 1 3 . 1 1 17 17 ASN H H 17 8.698 8.698 8.506 0.192 18833 1135 1 3 . 1 1 18 18 SER N N 18 112.321 112.321 116.348 -4.027 18833 1136 1 3 . 1 1 18 18 SER HA H 18 4.827 4.827 4.593 0.234 18833 1137 1 3 . 1 1 18 18 SER CA C 18 56.795 56.795 57.435 -0.641 18833 1138 1 3 . 1 1 18 18 SER CB C 18 64.855 64.855 64.577 0.278 18833 1139 1 3 . 1 1 18 18 SER H H 18 7.989 7.989 7.984 0.005 18833 1140 1 3 . 1 1 19 19 LEU N N 19 127.097 127.097 123.732 3.365 18833 1141 1 3 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.181 -0.015 18833 1142 1 3 . 1 1 19 19 LEU C C 19 177.329 177.329 177.778 -0.449 18833 1143 1 3 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.373 0.140 18833 1144 1 3 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.967 1.352 18833 1145 1 3 . 1 1 19 19 LEU H H 19 9.247 9.247 8.747 0.500 18833 1146 1 3 . 1 1 20 20 GLY N N 20 104.340 104.340 102.990 1.350 18833 1147 1 3 . 1 1 20 20 GLY C C 20 175.984 175.984 173.997 1.987 18833 1148 1 3 . 1 1 20 20 GLY CA C 20 46.799 46.799 44.848 1.951 18833 1149 1 3 . 1 1 20 20 GLY H H 20 8.664 8.664 8.425 0.239 18833 1150 1 3 . 1 1 21 21 ILE N N 21 115.279 115.279 115.275 0.004 18833 1151 1 3 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.424 -0.428 18833 1152 1 3 . 1 1 21 21 ILE C C 21 175.972 175.972 175.094 0.878 18833 1153 1 3 . 1 1 21 21 ILE CA C 21 59.781 59.781 58.089 1.692 18833 1154 1 3 . 1 1 21 21 ILE CB C 21 42.622 42.622 40.338 2.284 18833 1155 1 3 . 1 1 21 21 ILE H H 21 7.614 7.614 7.637 -0.023 18833 1156 1 3 . 1 1 22 22 CYS N N 22 122.210 122.210 118.946 3.264 18833 1157 1 3 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.864 0.407 18833 1158 1 3 . 1 1 22 22 CYS C C 22 175.904 175.904 172.916 2.988 18833 1159 1 3 . 1 1 22 22 CYS CA C 22 51.945 51.945 58.148 -6.203 18833 1160 1 3 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.397 3.795 18833 1161 1 3 . 1 1 22 22 CYS H H 22 8.506 8.506 8.259 0.247 18833 1162 1 3 . 1 1 23 23 VAL N N 23 117.739 117.739 115.612 2.127 18833 1163 1 3 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.348 0.119 18833 1164 1 3 . 1 1 23 23 VAL C C 23 173.821 173.821 174.080 -0.259 18833 1165 1 3 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.130 -0.310 18833 1166 1 3 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.502 0.253 18833 1167 1 3 . 1 1 23 23 VAL H H 23 9.203 9.203 8.473 0.730 18833 1168 1 3 . 1 1 24 24 THR N N 24 114.753 114.753 113.901 0.852 18833 1169 1 3 . 1 1 24 24 THR HA H 24 4.649 4.649 4.653 -0.004 18833 1170 1 3 . 1 1 24 24 THR C C 24 171.786 171.786 173.367 -1.581 18833 1171 1 3 . 1 1 24 24 THR CA C 24 59.529 59.529 59.559 -0.030 18833 1172 1 3 . 1 1 24 24 THR CB C 24 70.563 70.563 70.468 0.095 18833 1173 1 3 . 1 1 24 24 THR H H 24 9.237 9.237 8.546 0.691 18833 1174 1 3 . 1 1 25 25 GLY N N 25 111.927 111.927 109.813 2.114 18833 1175 1 3 . 1 1 25 25 GLY C C 25 174.099 174.099 173.246 0.853 18833 1176 1 3 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.481 0.131 18833 1177 1 3 . 1 1 25 25 GLY H H 25 8.291 8.291 8.347 -0.056 18833 1178 1 3 . 1 1 26 26 GLY N N 26 107.140 107.140 108.126 -0.986 18833 1179 1 3 . 1 1 26 26 GLY C C 26 176.180 176.180 175.006 1.174 18833 1180 1 3 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.393 -1.590 18833 1181 1 3 . 1 1 26 26 GLY H H 26 7.545 7.545 7.814 -0.269 18833 1182 1 3 . 1 1 27 27 VAL N N 27 116.837 116.837 120.892 -4.055 18833 1183 1 3 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.903 0.223 18833 1184 1 3 . 1 1 27 27 VAL C C 27 175.764 175.764 175.760 0.004 18833 1185 1 3 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.803 0.992 18833 1186 1 3 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.255 1.728 18833 1187 1 3 . 1 1 27 27 VAL H H 27 8.091 8.091 8.382 -0.291 18833 1188 1 3 . 1 1 28 28 ASN N N 28 117.997 117.997 114.999 2.998 18833 1189 1 3 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.455 0.354 18833 1190 1 3 . 1 1 28 28 ASN C C 28 174.860 174.860 174.438 0.422 18833 1191 1 3 . 1 1 28 28 ASN CA C 28 53.455 53.455 54.100 -0.645 18833 1192 1 3 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.812 0.935 18833 1193 1 3 . 1 1 28 28 ASN H H 28 8.795 8.795 8.480 0.315 18833 1194 1 3 . 1 1 29 29 THR N N 29 111.381 111.381 113.687 -2.306 18833 1195 1 3 . 1 1 29 29 THR HA H 29 4.689 4.689 4.597 0.092 18833 1196 1 3 . 1 1 29 29 THR CA C 29 61.526 61.526 60.695 0.831 18833 1197 1 3 . 1 1 29 29 THR CB C 29 70.889 70.889 69.944 0.945 18833 1198 1 3 . 1 1 29 29 THR H H 29 7.858 7.858 8.154 -0.296 18833 1199 1 3 . 1 1 30 30 SER N N 30 114.070 114.070 115.625 -1.555 18833 1200 1 3 . 1 1 30 30 SER HA H 30 4.535 4.535 4.219 0.316 18833 1201 1 3 . 1 1 30 30 SER C C 30 174.879 174.879 174.265 0.614 18833 1202 1 3 . 1 1 30 30 SER CA C 30 58.380 58.380 59.957 -1.577 18833 1203 1 3 . 1 1 30 30 SER CB C 30 63.532 63.532 63.064 0.468 18833 1204 1 3 . 1 1 30 30 SER H H 30 8.433 8.433 8.673 -0.240 18833 1205 1 3 . 1 1 31 31 VAL N N 31 118.337 118.337 115.680 2.657 18833 1206 1 3 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.196 -0.105 18833 1207 1 3 . 1 1 31 31 VAL C C 31 176.528 176.528 176.317 0.211 18833 1208 1 3 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.019 1.126 18833 1209 1 3 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.672 -0.172 18833 1210 1 3 . 1 1 31 31 VAL H H 31 7.588 7.588 7.347 0.241 18833 1211 1 3 . 1 1 32 32 ARG N N 32 124.670 124.670 127.112 -2.442 18833 1212 1 3 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.107 -0.096 18833 1213 1 3 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.362 -0.390 18833 1214 1 3 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.277 -0.702 18833 1215 1 3 . 1 1 32 32 ARG H H 32 8.511 8.511 8.778 -0.267 18833 1216 1 3 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.502 0.071 18833 1217 1 3 . 1 1 33 33 HIS C C 33 175.064 175.064 176.039 -0.975 18833 1218 1 3 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.849 -0.018 18833 1219 1 3 . 1 1 33 33 HIS CB C 33 29.118 29.118 30.145 -1.027 18833 1220 1 3 . 1 1 34 34 GLY N N 34 109.531 109.531 107.742 1.789 18833 1221 1 3 . 1 1 34 34 GLY C C 34 174.582 174.582 175.069 -0.487 18833 1222 1 3 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.781 0.800 18833 1223 1 3 . 1 1 34 34 GLY H H 34 8.471 8.471 7.705 0.766 18833 1224 1 3 . 1 1 35 35 GLY N N 35 105.151 105.151 107.628 -2.477 18833 1225 1 3 . 1 1 35 35 GLY C C 35 170.505 170.505 173.724 -3.219 18833 1226 1 3 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.704 0.873 18833 1227 1 3 . 1 1 35 35 GLY H H 35 7.833 7.833 7.932 -0.099 18833 1228 1 3 . 1 1 36 36 ILE N N 36 119.676 119.676 122.179 -2.503 18833 1229 1 3 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.729 -0.017 18833 1230 1 3 . 1 1 36 36 ILE C C 36 174.641 174.641 175.445 -0.804 18833 1231 1 3 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.594 -1.510 18833 1232 1 3 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.701 0.031 18833 1233 1 3 . 1 1 36 36 ILE H H 36 8.350 8.350 7.668 0.682 18833 1234 1 3 . 1 1 37 37 TYR N N 37 123.307 123.307 127.616 -4.309 18833 1235 1 3 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.485 0.822 18833 1236 1 3 . 1 1 37 37 TYR C C 37 176.165 176.165 176.086 0.079 18833 1237 1 3 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.839 -1.992 18833 1238 1 3 . 1 1 37 37 TYR CB C 37 42.329 42.329 39.557 2.772 18833 1239 1 3 . 1 1 37 37 TYR H H 37 8.892 8.892 8.637 0.255 18833 1240 1 3 . 1 1 38 38 VAL N N 38 120.580 120.580 121.346 -0.766 18833 1241 1 3 . 1 1 38 38 VAL HA H 38 3.736 3.736 3.862 -0.126 18833 1242 1 3 . 1 1 38 38 VAL C C 38 175.983 175.983 175.976 0.007 18833 1243 1 3 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.544 0.126 18833 1244 1 3 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.301 0.227 18833 1245 1 3 . 1 1 38 38 VAL H H 38 9.365 9.365 8.516 0.849 18833 1246 1 3 . 1 1 39 39 LYS N N 39 133.297 133.297 128.163 5.134 18833 1247 1 3 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.448 -0.063 18833 1248 1 3 . 1 1 39 39 LYS C C 39 174.520 174.520 175.329 -0.809 18833 1249 1 3 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.713 -0.204 18833 1250 1 3 . 1 1 39 39 LYS CB C 39 34.634 34.634 35.083 -0.449 18833 1251 1 3 . 1 1 39 39 LYS H H 39 9.560 9.560 8.675 0.885 18833 1252 1 3 . 1 1 40 40 ALA N N 40 118.155 118.155 120.857 -2.702 18833 1253 1 3 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.635 -0.130 18833 1254 1 3 . 1 1 40 40 ALA C C 40 174.639 174.639 174.931 -0.292 18833 1255 1 3 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.486 0.309 18833 1256 1 3 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.672 0.808 18833 1257 1 3 . 1 1 40 40 ALA H H 40 7.498 7.498 7.436 0.062 18833 1258 1 3 . 1 1 41 41 VAL N N 41 121.634 121.634 120.815 0.819 18833 1259 1 3 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.860 -0.451 18833 1260 1 3 . 1 1 41 41 VAL C C 41 175.829 175.829 175.684 0.145 18833 1261 1 3 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.558 0.746 18833 1262 1 3 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.083 -1.888 18833 1263 1 3 . 1 1 41 41 VAL H H 41 8.634 8.634 8.054 0.580 18833 1264 1 3 . 1 1 42 42 ILE N N 42 128.094 128.094 129.019 -0.925 18833 1265 1 3 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.311 -0.165 18833 1266 1 3 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.278 -0.632 18833 1267 1 3 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.605 -0.600 18833 1268 1 3 . 1 1 42 42 ILE H H 42 7.944 7.944 8.943 -0.999 18833 1269 1 3 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.456 -0.005 18833 1270 1 3 . 1 1 43 43 PRO C C 43 177.234 177.234 176.800 0.434 18833 1271 1 3 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.410 0.787 18833 1272 1 3 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.220 0.625 18833 1273 1 3 . 1 1 44 44 GLN N N 44 116.825 116.825 117.031 -0.206 18833 1274 1 3 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.881 -0.032 18833 1275 1 3 . 1 1 44 44 GLN C C 44 175.752 175.752 175.771 -0.019 18833 1276 1 3 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.932 1.200 18833 1277 1 3 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.599 -0.125 18833 1278 1 3 . 1 1 44 44 GLN H H 44 9.345 9.345 9.521 -0.176 18833 1279 1 3 . 1 1 45 45 GLY N N 45 106.186 106.186 105.326 0.860 18833 1280 1 3 . 1 1 45 45 GLY C C 45 174.374 174.374 173.947 0.427 18833 1281 1 3 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.294 0.430 18833 1282 1 3 . 1 1 45 45 GLY H H 45 7.887 7.887 8.002 -0.115 18833 1283 1 3 . 1 1 46 46 ALA N N 46 120.843 120.843 123.631 -2.788 18833 1284 1 3 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.032 0.027 18833 1285 1 3 . 1 1 46 46 ALA C C 46 180.628 180.628 179.457 1.171 18833 1286 1 3 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.028 0.007 18833 1287 1 3 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.912 -0.290 18833 1288 1 3 . 1 1 46 46 ALA H H 46 8.907 8.907 8.167 0.740 18833 1289 1 3 . 1 1 47 47 ALA N N 47 118.721 118.721 121.405 -2.684 18833 1290 1 3 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.955 0.116 18833 1291 1 3 . 1 1 47 47 ALA C C 47 180.589 180.589 179.478 1.111 18833 1292 1 3 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.468 -0.621 18833 1293 1 3 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.880 0.889 18833 1294 1 3 . 1 1 47 47 ALA H H 47 7.856 7.856 7.880 -0.024 18833 1295 1 3 . 1 1 48 48 GLU N N 48 124.373 124.373 118.797 5.576 18833 1296 1 3 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.100 -0.291 18833 1297 1 3 . 1 1 48 48 GLU C C 48 178.120 178.120 179.091 -0.971 18833 1298 1 3 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.755 1.102 18833 1299 1 3 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.637 -0.018 18833 1300 1 3 . 1 1 48 48 GLU H H 48 9.195 9.195 8.735 0.460 18833 1301 1 3 . 1 1 49 49 SER N N 49 113.220 113.220 114.476 -1.256 18833 1302 1 3 . 1 1 49 49 SER HA H 49 4.099 4.099 4.211 -0.112 18833 1303 1 3 . 1 1 49 49 SER C C 49 175.707 175.707 176.137 -0.430 18833 1304 1 3 . 1 1 49 49 SER CA C 49 61.168 61.168 61.157 0.011 18833 1305 1 3 . 1 1 49 49 SER CB C 49 62.775 62.775 63.296 -0.521 18833 1306 1 3 . 1 1 49 49 SER H H 49 8.020 8.020 8.335 -0.315 18833 1307 1 3 . 1 1 50 50 ASP N N 50 120.022 120.022 120.137 -0.115 18833 1308 1 3 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.458 -0.078 18833 1309 1 3 . 1 1 50 50 ASP C C 50 177.650 177.650 177.795 -0.145 18833 1310 1 3 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.633 1.564 18833 1311 1 3 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.794 2.441 18833 1312 1 3 . 1 1 50 50 ASP H H 50 7.579 7.579 7.828 -0.249 18833 1313 1 3 . 1 1 51 51 GLY N N 51 102.979 102.979 108.562 -5.583 18833 1314 1 3 . 1 1 51 51 GLY C C 51 175.026 175.026 175.009 0.017 18833 1315 1 3 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.474 0.872 18833 1316 1 3 . 1 1 51 51 GLY H H 51 7.364 7.364 8.487 -1.123 18833 1317 1 3 . 1 1 52 52 ARG N N 52 117.501 117.501 120.907 -3.406 18833 1318 1 3 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.221 0.087 18833 1319 1 3 . 1 1 52 52 ARG C C 52 175.898 175.898 175.893 0.005 18833 1320 1 3 . 1 1 52 52 ARG CA C 52 57.904 57.904 58.312 -0.408 18833 1321 1 3 . 1 1 52 52 ARG CB C 52 32.999 32.999 31.122 1.877 18833 1322 1 3 . 1 1 52 52 ARG H H 52 7.958 7.958 8.153 -0.195 18833 1323 1 3 . 1 1 53 53 ILE N N 53 120.028 120.028 116.728 3.300 18833 1324 1 3 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.756 -0.524 18833 1325 1 3 . 1 1 53 53 ILE C C 53 173.773 173.773 175.057 -1.284 18833 1326 1 3 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.902 0.527 18833 1327 1 3 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.893 0.806 18833 1328 1 3 . 1 1 53 53 ILE H H 53 8.223 8.223 7.893 0.330 18833 1329 1 3 . 1 1 54 54 HIS N N 54 123.681 123.681 123.203 0.478 18833 1330 1 3 . 1 1 54 54 HIS HA H 54 4.801 4.801 5.025 -0.224 18833 1331 1 3 . 1 1 54 54 HIS C C 54 173.826 173.826 173.518 0.308 18833 1332 1 3 . 1 1 54 54 HIS CA C 54 54.885 54.885 53.432 1.453 18833 1333 1 3 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.093 1.406 18833 1334 1 3 . 1 1 54 54 HIS H H 54 9.073 9.073 9.847 -0.774 18833 1335 1 3 . 1 1 55 55 LYS N N 55 120.814 120.814 121.368 -0.554 18833 1336 1 3 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.946 -0.336 18833 1337 1 3 . 1 1 55 55 LYS C C 55 177.014 177.014 176.864 0.150 18833 1338 1 3 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.002 1.431 18833 1339 1 3 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.790 0.570 18833 1340 1 3 . 1 1 55 55 LYS H H 55 8.715 8.715 8.579 0.136 18833 1341 1 3 . 1 1 56 56 GLY N N 56 114.423 114.423 114.263 0.160 18833 1342 1 3 . 1 1 56 56 GLY C C 56 174.469 174.469 173.938 0.531 18833 1343 1 3 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.768 0.070 18833 1344 1 3 . 1 1 56 56 GLY H H 56 9.128 9.128 8.575 0.553 18833 1345 1 3 . 1 1 57 57 ASP N N 57 121.735 121.735 122.679 -0.944 18833 1346 1 3 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.934 -0.051 18833 1347 1 3 . 1 1 57 57 ASP C C 57 174.808 174.808 174.564 0.244 18833 1348 1 3 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.115 0.712 18833 1349 1 3 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.388 -1.333 18833 1350 1 3 . 1 1 57 57 ASP H H 57 8.033 8.033 7.625 0.408 18833 1351 1 3 . 1 1 58 58 ARG N N 58 123.530 123.530 120.764 2.766 18833 1352 1 3 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.375 0.263 18833 1353 1 3 . 1 1 58 58 ARG C C 58 175.641 175.641 174.347 1.294 18833 1354 1 3 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.749 -0.049 18833 1355 1 3 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.858 0.773 18833 1356 1 3 . 1 1 58 58 ARG H H 58 9.097 9.097 8.113 0.984 18833 1357 1 3 . 1 1 59 59 VAL N N 59 126.202 126.202 123.989 2.213 18833 1358 1 3 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.350 -0.445 18833 1359 1 3 . 1 1 59 59 VAL C C 59 174.515 174.515 175.236 -0.721 18833 1360 1 3 . 1 1 59 59 VAL CA C 59 62.152 62.152 62.002 0.150 18833 1361 1 3 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.674 -1.600 18833 1362 1 3 . 1 1 59 59 VAL H H 59 8.898 8.898 8.908 -0.010 18833 1363 1 3 . 1 1 60 60 LEU N N 60 127.209 127.209 121.414 5.795 18833 1364 1 3 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.903 -0.583 18833 1365 1 3 . 1 1 60 60 LEU C C 60 178.352 178.352 176.065 2.287 18833 1366 1 3 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.000 1.161 18833 1367 1 3 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.493 -0.868 18833 1368 1 3 . 1 1 60 60 LEU H H 60 9.193 9.193 8.852 0.341 18833 1369 1 3 . 1 1 61 61 ALA N N 61 118.965 118.965 120.120 -1.155 18833 1370 1 3 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.414 -0.475 18833 1371 1 3 . 1 1 61 61 ALA C C 61 175.332 175.332 175.383 -0.051 18833 1372 1 3 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.162 2.130 18833 1373 1 3 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.860 -0.774 18833 1374 1 3 . 1 1 61 61 ALA H H 61 7.759 7.759 7.534 0.225 18833 1375 1 3 . 1 1 62 62 VAL N N 62 119.695 119.695 118.983 0.712 18833 1376 1 3 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.716 -0.232 18833 1377 1 3 . 1 1 62 62 VAL C C 62 175.538 175.538 176.048 -0.510 18833 1378 1 3 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.258 -0.721 18833 1379 1 3 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.274 -0.313 18833 1380 1 3 . 1 1 62 62 VAL H H 62 8.218 8.218 8.042 0.176 18833 1381 1 3 . 1 1 63 63 ASN N N 63 128.940 128.940 127.704 1.236 18833 1382 1 3 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.469 0.102 18833 1383 1 3 . 1 1 63 63 ASN C C 63 175.155 175.155 175.504 -0.349 18833 1384 1 3 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.563 -0.104 18833 1385 1 3 . 1 1 63 63 ASN CB C 63 36.919 36.919 37.488 -0.569 18833 1386 1 3 . 1 1 63 63 ASN H H 63 10.387 10.387 9.534 0.853 18833 1387 1 3 . 1 1 64 64 GLY N N 64 103.432 103.432 101.736 1.696 18833 1388 1 3 . 1 1 64 64 GLY C C 64 173.902 173.902 174.074 -0.172 18833 1389 1 3 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.125 0.072 18833 1390 1 3 . 1 1 64 64 GLY H H 64 9.094 9.094 8.548 0.546 18833 1391 1 3 . 1 1 65 65 VAL N N 65 123.418 123.418 121.920 1.498 18833 1392 1 3 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.170 -0.194 18833 1393 1 3 . 1 1 65 65 VAL C C 65 175.675 175.675 175.614 0.061 18833 1394 1 3 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.205 0.858 18833 1395 1 3 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.838 -1.009 18833 1396 1 3 . 1 1 65 65 VAL H H 65 7.948 7.948 7.804 0.143 18833 1397 1 3 . 1 1 66 66 SER N N 66 121.122 121.122 124.298 -3.176 18833 1398 1 3 . 1 1 66 66 SER HA H 66 4.365 4.365 4.287 0.078 18833 1399 1 3 . 1 1 66 66 SER C C 66 176.402 176.402 173.991 2.411 18833 1400 1 3 . 1 1 66 66 SER CA C 66 58.310 58.310 59.484 -1.174 18833 1401 1 3 . 1 1 66 66 SER CB C 66 63.651 63.651 63.026 0.625 18833 1402 1 3 . 1 1 66 66 SER H H 66 8.671 8.671 8.806 -0.135 18833 1403 1 3 . 1 1 67 67 LEU N N 67 125.351 125.351 126.269 -0.918 18833 1404 1 3 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.482 -0.042 18833 1405 1 3 . 1 1 67 67 LEU C C 67 176.359 176.359 176.974 -0.615 18833 1406 1 3 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.552 -0.685 18833 1407 1 3 . 1 1 67 67 LEU CB C 67 40.981 40.981 42.335 -1.354 18833 1408 1 3 . 1 1 67 67 LEU H H 67 8.205 8.205 8.438 -0.233 18833 1409 1 3 . 1 1 68 68 GLU N N 68 123.211 123.211 118.938 4.273 18833 1410 1 3 . 1 1 68 68 GLU HA H 68 4.046 4.046 3.984 0.062 18833 1411 1 3 . 1 1 68 68 GLU C C 68 177.820 177.820 177.407 0.413 18833 1412 1 3 . 1 1 68 68 GLU CA C 68 58.535 58.535 58.154 0.381 18833 1413 1 3 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.614 -0.534 18833 1414 1 3 . 1 1 68 68 GLU H H 68 8.300 8.300 7.490 0.810 18833 1415 1 3 . 1 1 69 69 GLY N N 69 115.507 115.507 111.616 3.891 18833 1416 1 3 . 1 1 69 69 GLY C C 69 173.652 173.652 174.303 -0.651 18833 1417 1 3 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.158 0.189 18833 1418 1 3 . 1 1 69 69 GLY H H 69 8.945 8.945 8.781 0.164 18833 1419 1 3 . 1 1 70 70 ALA N N 70 122.308 122.308 124.610 -2.302 18833 1420 1 3 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.407 0.083 18833 1421 1 3 . 1 1 70 70 ALA C C 70 179.583 179.583 176.330 3.253 18833 1422 1 3 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.049 0.435 18833 1423 1 3 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.514 0.074 18833 1424 1 3 . 1 1 70 70 ALA H H 70 7.882 7.882 7.657 0.225 18833 1425 1 3 . 1 1 71 71 THR N N 71 111.173 111.173 110.899 0.274 18833 1426 1 3 . 1 1 71 71 THR HA H 71 4.526 4.526 4.312 0.214 18833 1427 1 3 . 1 1 71 71 THR C C 71 174.660 174.660 176.075 -1.415 18833 1428 1 3 . 1 1 71 71 THR CA C 71 60.732 60.732 61.303 -0.571 18833 1429 1 3 . 1 1 71 71 THR CB C 71 71.196 71.196 70.308 0.887 18833 1430 1 3 . 1 1 71 71 THR H H 71 8.185 8.185 7.947 0.238 18833 1431 1 3 . 1 1 72 72 HIS N N 72 121.107 121.107 119.383 1.724 18833 1432 1 3 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.231 -0.230 18833 1433 1 3 . 1 1 72 72 HIS C C 72 176.702 176.702 177.616 -0.914 18833 1434 1 3 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.623 1.829 18833 1435 1 3 . 1 1 72 72 HIS CB C 72 30.309 30.309 28.918 1.391 18833 1436 1 3 . 1 1 72 72 HIS H H 72 9.077 9.077 8.879 0.198 18833 1437 1 3 . 1 1 73 73 LYS N N 73 116.672 116.672 118.965 -2.293 18833 1438 1 3 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.840 -0.084 18833 1439 1 3 . 1 1 73 73 LYS C C 73 178.603 178.603 178.898 -0.295 18833 1440 1 3 . 1 1 73 73 LYS CA C 73 60.022 60.022 60.182 -0.160 18833 1441 1 3 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.772 0.688 18833 1442 1 3 . 1 1 73 73 LYS H H 73 8.473 8.473 7.695 0.778 18833 1443 1 3 . 1 1 74 74 GLN N N 74 116.558 116.558 118.763 -2.205 18833 1444 1 3 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.083 -0.151 18833 1445 1 3 . 1 1 74 74 GLN C C 74 179.891 179.891 178.217 1.674 18833 1446 1 3 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.333 0.238 18833 1447 1 3 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.088 0.237 18833 1448 1 3 . 1 1 74 74 GLN H H 74 7.568 7.568 7.592 -0.024 18833 1449 1 3 . 1 1 75 75 ALA N N 75 123.337 123.337 121.427 1.910 18833 1450 1 3 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.071 -0.277 18833 1451 1 3 . 1 1 75 75 ALA C C 75 178.309 178.309 179.156 -0.847 18833 1452 1 3 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.230 0.438 18833 1453 1 3 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.219 1.149 18833 1454 1 3 . 1 1 75 75 ALA H H 75 8.320 8.320 8.327 -0.007 18833 1455 1 3 . 1 1 76 76 VAL N N 76 118.172 118.172 118.914 -0.742 18833 1456 1 3 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.734 -0.547 18833 1457 1 3 . 1 1 76 76 VAL C C 76 179.705 179.705 177.520 2.185 18833 1458 1 3 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.040 1.112 18833 1459 1 3 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.695 -0.520 18833 1460 1 3 . 1 1 76 76 VAL H H 76 8.122 8.122 7.312 0.810 18833 1461 1 3 . 1 1 77 77 CYS N N 77 116.979 116.979 117.875 -0.896 18833 1462 1 3 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.055 0.146 18833 1463 1 3 . 1 1 77 77 CYS C C 77 177.004 177.004 177.628 -0.624 18833 1464 1 3 . 1 1 77 77 CYS CA C 77 61.892 61.892 62.975 -1.083 18833 1465 1 3 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.411 11.132 18833 1466 1 3 . 1 1 77 77 CYS H H 77 8.327 8.327 8.599 -0.272 18833 1467 1 3 . 1 1 78 78 THR N N 78 117.521 117.521 117.024 0.497 18833 1468 1 3 . 1 1 78 78 THR HA H 78 3.867 3.867 4.023 -0.156 18833 1469 1 3 . 1 1 78 78 THR C C 78 176.306 176.306 176.846 -0.540 18833 1470 1 3 . 1 1 78 78 THR CA C 78 67.197 67.197 66.692 0.505 18833 1471 1 3 . 1 1 78 78 THR CB C 78 68.145 68.145 68.731 -0.586 18833 1472 1 3 . 1 1 78 78 THR H H 78 8.259 8.259 8.041 0.218 18833 1473 1 3 . 1 1 79 79 LEU N N 79 119.714 119.714 122.733 -3.019 18833 1474 1 3 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.964 -0.128 18833 1475 1 3 . 1 1 79 79 LEU CA C 79 57.950 57.950 58.119 -0.169 18833 1476 1 3 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.296 0.332 18833 1477 1 3 . 1 1 79 79 LEU H H 79 7.748 7.748 7.489 0.259 18833 1478 1 3 . 1 1 80 80 ARG N N 80 119.613 119.613 115.199 4.414 18833 1479 1 3 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.007 0.108 18833 1480 1 3 . 1 1 80 80 ARG C C 80 177.905 177.905 177.289 0.616 18833 1481 1 3 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.760 -0.298 18833 1482 1 3 . 1 1 80 80 ARG CB C 80 30.770 30.770 30.032 0.738 18833 1483 1 3 . 1 1 80 80 ARG H H 80 7.944 7.944 7.811 0.133 18833 1484 1 3 . 1 1 81 81 ASN N N 81 119.257 119.257 116.142 3.115 18833 1485 1 3 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.820 0.141 18833 1486 1 3 . 1 1 81 81 ASN C C 81 175.030 175.030 175.213 -0.183 18833 1487 1 3 . 1 1 81 81 ASN CA C 81 52.806 52.806 52.993 -0.187 18833 1488 1 3 . 1 1 81 81 ASN CB C 81 37.454 37.454 40.105 -2.651 18833 1489 1 3 . 1 1 81 81 ASN H H 81 7.843 7.843 7.836 0.007 18833 1490 1 3 . 1 1 82 82 THR N N 82 109.817 109.817 112.641 -2.824 18833 1491 1 3 . 1 1 82 82 THR HA H 82 4.391 4.391 4.494 -0.103 18833 1492 1 3 . 1 1 82 82 THR C C 82 175.114 175.114 174.910 0.204 18833 1493 1 3 . 1 1 82 82 THR CA C 82 60.155 60.155 60.986 -0.831 18833 1494 1 3 . 1 1 82 82 THR CB C 82 72.327 72.327 70.838 1.490 18833 1495 1 3 . 1 1 82 82 THR H H 82 7.514 7.514 7.802 -0.288 18833 1496 1 3 . 1 1 83 83 GLY N N 83 109.536 109.536 106.972 2.564 18833 1497 1 3 . 1 1 83 83 GLY C C 83 173.492 173.492 174.483 -0.991 18833 1498 1 3 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.313 -0.187 18833 1499 1 3 . 1 1 83 83 GLY H H 83 8.406 8.406 8.417 -0.011 18833 1500 1 3 . 1 1 84 84 GLN N N 84 117.293 117.293 118.598 -1.305 18833 1501 1 3 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.201 -0.233 18833 1502 1 3 . 1 1 84 84 GLN C C 84 175.351 175.351 175.184 0.167 18833 1503 1 3 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.107 0.405 18833 1504 1 3 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.148 -0.125 18833 1505 1 3 . 1 1 84 84 GLN H H 84 8.218 8.218 8.533 -0.315 18833 1506 1 3 . 1 1 85 85 VAL N N 85 116.238 116.238 118.088 -1.850 18833 1507 1 3 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.542 0.150 18833 1508 1 3 . 1 1 85 85 VAL C C 85 175.864 175.864 175.345 0.519 18833 1509 1 3 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.045 0.296 18833 1510 1 3 . 1 1 85 85 VAL CB C 85 33.374 33.374 32.959 0.415 18833 1511 1 3 . 1 1 85 85 VAL H H 85 7.715 7.715 7.644 0.071 18833 1512 1 3 . 1 1 86 86 VAL N N 86 128.273 128.273 126.737 1.536 18833 1513 1 3 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.185 0.339 18833 1514 1 3 . 1 1 86 86 VAL C C 86 173.320 173.320 174.508 -1.188 18833 1515 1 3 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.410 0.376 18833 1516 1 3 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.450 -0.345 18833 1517 1 3 . 1 1 86 86 VAL H H 86 9.034 9.034 8.313 0.721 18833 1518 1 3 . 1 1 87 87 HIS N N 87 126.224 126.224 123.733 2.491 18833 1519 1 3 . 1 1 87 87 HIS HA H 87 5.037 5.037 5.002 0.035 18833 1520 1 3 . 1 1 87 87 HIS C C 87 174.442 174.442 174.219 0.223 18833 1521 1 3 . 1 1 87 87 HIS CA C 87 55.758 55.758 54.785 0.973 18833 1522 1 3 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.898 1.603 18833 1523 1 3 . 1 1 87 87 HIS H H 87 8.761 8.761 9.305 -0.544 18833 1524 1 3 . 1 1 88 88 LEU N N 88 126.604 126.604 125.850 0.754 18833 1525 1 3 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.601 0.368 18833 1526 1 3 . 1 1 88 88 LEU C C 88 173.306 173.306 174.597 -1.291 18833 1527 1 3 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.701 -0.052 18833 1528 1 3 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.260 1.028 18833 1529 1 3 . 1 1 88 88 LEU H H 88 9.045 9.045 9.326 -0.281 18833 1530 1 3 . 1 1 89 89 LEU N N 89 124.501 124.501 125.295 -0.794 18833 1531 1 3 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.889 -0.168 18833 1532 1 3 . 1 1 89 89 LEU C C 89 175.180 175.180 174.321 0.859 18833 1533 1 3 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.402 0.336 18833 1534 1 3 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.506 0.860 18833 1535 1 3 . 1 1 89 89 LEU H H 89 7.977 7.977 8.604 -0.627 18833 1536 1 3 . 1 1 90 90 LEU N N 90 127.520 127.520 126.323 1.197 18833 1537 1 3 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.964 0.325 18833 1538 1 3 . 1 1 90 90 LEU C C 90 173.616 173.616 174.572 -0.956 18833 1539 1 3 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.628 0.527 18833 1540 1 3 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.488 -0.468 18833 1541 1 3 . 1 1 90 90 LEU H H 90 8.896 8.896 8.831 0.065 18833 1542 1 3 . 1 1 91 91 GLU N N 91 118.964 118.964 120.359 -1.395 18833 1543 1 3 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.185 -0.099 18833 1544 1 3 . 1 1 91 91 GLU C C 91 176.652 176.652 175.774 0.878 18833 1545 1 3 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.340 -0.522 18833 1546 1 3 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.601 0.305 18833 1547 1 3 . 1 1 91 91 GLU H H 91 8.825 8.825 8.763 0.062 18833 1548 1 3 . 1 1 92 92 LYS N N 92 128.805 128.805 126.223 2.582 18833 1549 1 3 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.952 -0.583 18833 1550 1 3 . 1 1 92 92 LYS C C 92 178.011 178.011 177.038 0.973 18833 1551 1 3 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.613 -0.273 18833 1552 1 3 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.513 -1.444 18833 1553 1 3 . 1 1 92 92 LYS H H 92 9.333 9.333 8.852 0.481 18833 1554 1 3 . 1 1 93 93 GLY N N 93 117.774 117.774 108.262 9.512 18833 1555 1 3 . 1 1 93 93 GLY C C 93 173.157 173.157 172.915 0.242 18833 1556 1 3 . 1 1 93 93 GLY CA C 93 45.175 45.175 43.737 1.438 18833 1557 1 3 . 1 1 93 93 GLY H H 93 9.735 9.735 8.439 1.296 18833 1558 1 3 . 1 1 94 94 GLN N N 94 116.912 116.912 117.238 -0.326 18833 1559 1 3 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.428 -0.164 18833 1560 1 3 . 1 1 94 94 GLN C C 94 175.955 175.955 176.071 -0.116 18833 1561 1 3 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.945 -0.444 18833 1562 1 3 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.192 0.526 18833 1563 1 3 . 1 1 94 94 GLN H H 94 8.243 8.243 8.502 -0.259 18833 1564 1 3 . 1 1 95 95 SER N N 95 118.157 118.157 117.007 1.150 18833 1565 1 3 . 1 1 95 95 SER HA H 95 4.662 4.662 4.757 -0.095 18833 1566 1 3 . 1 1 95 95 SER CA C 95 56.615 56.615 56.240 0.375 18833 1567 1 3 . 1 1 95 95 SER CB C 95 63.203 63.203 63.415 -0.212 18833 1568 1 3 . 1 1 95 95 SER H H 95 8.396 8.396 8.664 -0.268 18833 1569 1 3 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.360 0.117 18833 1570 1 3 . 1 1 96 96 PRO C C 96 176.303 176.303 175.800 0.503 18833 1571 1 3 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.703 -0.189 18833 1572 1 3 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.029 0.900 18833 1573 1 4 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.485 -0.013 18833 1574 1 4 . 1 1 2 2 PRO C C 2 175.867 175.867 176.326 -0.459 18833 1575 1 4 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.681 0.159 18833 1576 1 4 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.406 -0.093 18833 1577 1 4 . 1 1 3 3 LYS N N 3 124.698 124.698 123.898 0.800 18833 1578 1 4 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.491 0.116 18833 1579 1 4 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.247 -0.640 18833 1580 1 4 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.362 -0.775 18833 1581 1 4 . 1 1 3 3 LYS H H 3 8.933 8.933 8.266 0.667 18833 1582 1 4 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.339 -0.398 18833 1583 1 4 . 1 1 4 4 PRO C C 4 177.504 177.504 177.736 -0.232 18833 1584 1 4 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.656 0.856 18833 1585 1 4 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.797 -0.127 18833 1586 1 4 . 1 1 5 5 GLY N N 5 113.652 113.652 110.031 3.621 18833 1587 1 4 . 1 1 5 5 GLY C C 5 174.146 174.146 173.649 0.497 18833 1588 1 4 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.978 0.093 18833 1589 1 4 . 1 1 5 5 GLY H H 5 9.014 9.014 8.515 0.499 18833 1590 1 4 . 1 1 6 6 ASP N N 6 121.766 121.766 120.537 1.229 18833 1591 1 4 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.764 -0.093 18833 1592 1 4 . 1 1 6 6 ASP C C 6 175.762 175.762 175.329 0.433 18833 1593 1 4 . 1 1 6 6 ASP CA C 6 54.899 54.899 53.151 1.748 18833 1594 1 4 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.543 -1.137 18833 1595 1 4 . 1 1 6 6 ASP H H 6 8.489 8.489 7.657 0.832 18833 1596 1 4 . 1 1 7 7 ILE N N 7 121.794 121.794 125.080 -3.286 18833 1597 1 4 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.955 0.378 18833 1598 1 4 . 1 1 7 7 ILE C C 7 176.854 176.854 175.972 0.882 18833 1599 1 4 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.713 -1.081 18833 1600 1 4 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.958 -0.743 18833 1601 1 4 . 1 1 7 7 ILE H H 7 8.368 8.368 8.533 -0.165 18833 1602 1 4 . 1 1 8 8 PHE N N 8 125.873 125.873 125.631 0.242 18833 1603 1 4 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.068 -0.004 18833 1604 1 4 . 1 1 8 8 PHE C C 8 171.167 171.167 173.728 -2.561 18833 1605 1 4 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.212 0.338 18833 1606 1 4 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.821 -0.488 18833 1607 1 4 . 1 1 8 8 PHE H H 8 9.498 9.498 9.211 0.287 18833 1608 1 4 . 1 1 9 9 GLU N N 9 119.065 119.065 121.190 -2.125 18833 1609 1 4 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.849 0.366 18833 1610 1 4 . 1 1 9 9 GLU C C 9 176.019 176.019 176.156 -0.137 18833 1611 1 4 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.413 -1.424 18833 1612 1 4 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.199 2.212 18833 1613 1 4 . 1 1 9 9 GLU H H 9 8.502 8.502 8.569 -0.067 18833 1614 1 4 . 1 1 10 10 VAL N N 10 120.078 120.078 124.842 -4.764 18833 1615 1 4 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.374 -0.239 18833 1616 1 4 . 1 1 10 10 VAL C C 10 173.177 173.177 174.623 -1.446 18833 1617 1 4 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.869 0.244 18833 1618 1 4 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.135 1.646 18833 1619 1 4 . 1 1 10 10 VAL H H 10 8.581 8.581 9.161 -0.580 18833 1620 1 4 . 1 1 11 11 GLU N N 11 126.482 126.482 126.476 0.006 18833 1621 1 4 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.155 -0.156 18833 1622 1 4 . 1 1 11 11 GLU C C 11 174.618 174.618 175.203 -0.585 18833 1623 1 4 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.921 -0.107 18833 1624 1 4 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.691 0.317 18833 1625 1 4 . 1 1 11 11 GLU H H 11 7.810 7.810 8.578 -0.768 18833 1626 1 4 . 1 1 12 12 LEU N N 12 126.093 126.093 126.867 -0.774 18833 1627 1 4 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.632 0.022 18833 1628 1 4 . 1 1 12 12 LEU C C 12 174.013 174.013 174.796 -0.783 18833 1629 1 4 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.099 0.075 18833 1630 1 4 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.887 1.979 18833 1631 1 4 . 1 1 12 12 LEU H H 12 8.888 8.888 8.541 0.347 18833 1632 1 4 . 1 1 13 13 ALA N N 13 126.137 126.137 129.075 -2.938 18833 1633 1 4 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.599 0.502 18833 1634 1 4 . 1 1 13 13 ALA C C 13 177.290 177.290 176.981 0.309 18833 1635 1 4 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.358 -1.474 18833 1636 1 4 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.088 -0.679 18833 1637 1 4 . 1 1 13 13 ALA H H 13 8.494 8.494 8.619 -0.125 18833 1638 1 4 . 1 1 14 14 LYS N N 14 120.270 120.270 125.356 -5.086 18833 1639 1 4 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.299 -0.501 18833 1640 1 4 . 1 1 14 14 LYS C C 14 176.313 176.313 176.860 -0.547 18833 1641 1 4 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.001 2.797 18833 1642 1 4 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.276 2.636 18833 1643 1 4 . 1 1 14 14 LYS H H 14 8.486 8.486 8.717 -0.231 18833 1644 1 4 . 1 1 15 15 ASN N N 15 117.746 117.746 115.865 1.881 18833 1645 1 4 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.523 0.301 18833 1646 1 4 . 1 1 15 15 ASN CA C 15 52.779 52.779 54.470 -1.691 18833 1647 1 4 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.149 1.973 18833 1648 1 4 . 1 1 15 15 ASN H H 15 8.139 8.139 7.686 0.453 18833 1649 1 4 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.648 -0.347 18833 1650 1 4 . 1 1 16 16 ASP C C 16 175.367 175.367 175.815 -0.448 18833 1651 1 4 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.401 1.051 18833 1652 1 4 . 1 1 16 16 ASP CB C 16 39.456 39.456 42.018 -2.562 18833 1653 1 4 . 1 1 17 17 ASN N N 17 111.793 111.793 117.193 -5.400 18833 1654 1 4 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.849 -0.469 18833 1655 1 4 . 1 1 17 17 ASN C C 17 174.599 174.599 175.535 -0.936 18833 1656 1 4 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.643 0.150 18833 1657 1 4 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.451 -1.735 18833 1658 1 4 . 1 1 17 17 ASN H H 17 8.698 8.698 8.600 0.098 18833 1659 1 4 . 1 1 18 18 SER N N 18 112.321 112.321 115.936 -3.615 18833 1660 1 4 . 1 1 18 18 SER HA H 18 4.827 4.827 4.555 0.272 18833 1661 1 4 . 1 1 18 18 SER CA C 18 56.795 56.795 58.300 -1.505 18833 1662 1 4 . 1 1 18 18 SER CB C 18 64.855 64.855 64.632 0.223 18833 1663 1 4 . 1 1 18 18 SER H H 18 7.989 7.989 8.408 -0.419 18833 1664 1 4 . 1 1 19 19 LEU N N 19 127.097 127.097 123.862 3.235 18833 1665 1 4 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.121 0.045 18833 1666 1 4 . 1 1 19 19 LEU C C 19 177.329 177.329 177.564 -0.235 18833 1667 1 4 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.190 0.323 18833 1668 1 4 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.815 1.504 18833 1669 1 4 . 1 1 19 19 LEU H H 19 9.247 9.247 8.859 0.388 18833 1670 1 4 . 1 1 20 20 GLY N N 20 104.340 104.340 104.854 -0.514 18833 1671 1 4 . 1 1 20 20 GLY C C 20 175.984 175.984 174.375 1.609 18833 1672 1 4 . 1 1 20 20 GLY CA C 20 46.799 46.799 46.038 0.761 18833 1673 1 4 . 1 1 20 20 GLY H H 20 8.664 8.664 8.237 0.427 18833 1674 1 4 . 1 1 21 21 ILE N N 21 115.279 115.279 120.050 -4.771 18833 1675 1 4 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.042 -0.046 18833 1676 1 4 . 1 1 21 21 ILE C C 21 175.972 175.972 175.425 0.547 18833 1677 1 4 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.275 0.506 18833 1678 1 4 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.154 1.468 18833 1679 1 4 . 1 1 21 21 ILE H H 21 7.614 7.614 7.037 0.577 18833 1680 1 4 . 1 1 22 22 CYS N N 22 122.210 122.210 121.048 1.162 18833 1681 1 4 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.969 0.302 18833 1682 1 4 . 1 1 22 22 CYS C C 22 175.904 175.904 173.116 2.788 18833 1683 1 4 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.506 -5.561 18833 1684 1 4 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.742 4.450 18833 1685 1 4 . 1 1 22 22 CYS H H 22 8.506 8.506 8.386 0.120 18833 1686 1 4 . 1 1 23 23 VAL N N 23 117.739 117.739 116.709 1.030 18833 1687 1 4 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.354 0.113 18833 1688 1 4 . 1 1 23 23 VAL C C 23 173.821 173.821 174.292 -0.471 18833 1689 1 4 . 1 1 23 23 VAL CA C 23 59.820 59.820 59.928 -0.108 18833 1690 1 4 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.519 0.236 18833 1691 1 4 . 1 1 23 23 VAL H H 23 9.203 9.203 8.379 0.824 18833 1692 1 4 . 1 1 24 24 THR N N 24 114.753 114.753 115.267 -0.514 18833 1693 1 4 . 1 1 24 24 THR HA H 24 4.649 4.649 4.639 0.010 18833 1694 1 4 . 1 1 24 24 THR C C 24 171.786 171.786 173.124 -1.338 18833 1695 1 4 . 1 1 24 24 THR CA C 24 59.529 59.529 59.472 0.057 18833 1696 1 4 . 1 1 24 24 THR CB C 24 70.563 70.563 70.635 -0.072 18833 1697 1 4 . 1 1 24 24 THR H H 24 9.237 9.237 8.620 0.617 18833 1698 1 4 . 1 1 25 25 GLY N N 25 111.927 111.927 109.522 2.405 18833 1699 1 4 . 1 1 25 25 GLY C C 25 174.099 174.099 172.549 1.550 18833 1700 1 4 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.949 -0.337 18833 1701 1 4 . 1 1 25 25 GLY H H 25 8.291 8.291 8.404 -0.113 18833 1702 1 4 . 1 1 26 26 GLY N N 26 107.140 107.140 110.460 -3.320 18833 1703 1 4 . 1 1 26 26 GLY C C 26 176.180 176.180 174.571 1.609 18833 1704 1 4 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.774 -1.971 18833 1705 1 4 . 1 1 26 26 GLY H H 26 7.545 7.545 8.229 -0.684 18833 1706 1 4 . 1 1 27 27 VAL N N 27 116.837 116.837 119.389 -2.552 18833 1707 1 4 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.910 0.216 18833 1708 1 4 . 1 1 27 27 VAL C C 27 175.764 175.764 176.358 -0.594 18833 1709 1 4 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.163 1.632 18833 1710 1 4 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.431 1.552 18833 1711 1 4 . 1 1 27 27 VAL H H 27 8.091 8.091 8.170 -0.079 18833 1712 1 4 . 1 1 28 28 ASN N N 28 117.997 117.997 116.919 1.078 18833 1713 1 4 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.547 0.262 18833 1714 1 4 . 1 1 28 28 ASN C C 28 174.860 174.860 174.422 0.438 18833 1715 1 4 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.550 -0.094 18833 1716 1 4 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.344 0.403 18833 1717 1 4 . 1 1 28 28 ASN H H 28 8.795 8.795 8.244 0.551 18833 1718 1 4 . 1 1 29 29 THR N N 29 111.381 111.381 114.031 -2.650 18833 1719 1 4 . 1 1 29 29 THR HA H 29 4.689 4.689 4.494 0.195 18833 1720 1 4 . 1 1 29 29 THR CA C 29 61.526 61.526 60.192 1.334 18833 1721 1 4 . 1 1 29 29 THR CB C 29 70.889 70.889 69.597 1.292 18833 1722 1 4 . 1 1 29 29 THR H H 29 7.858 7.858 8.151 -0.293 18833 1723 1 4 . 1 1 30 30 SER N N 30 114.070 114.070 115.774 -1.704 18833 1724 1 4 . 1 1 30 30 SER HA H 30 4.535 4.535 4.219 0.316 18833 1725 1 4 . 1 1 30 30 SER C C 30 174.879 174.879 174.015 0.864 18833 1726 1 4 . 1 1 30 30 SER CA C 30 58.380 58.380 60.314 -1.934 18833 1727 1 4 . 1 1 30 30 SER CB C 30 63.532 63.532 63.227 0.305 18833 1728 1 4 . 1 1 30 30 SER H H 30 8.433 8.433 8.749 -0.316 18833 1729 1 4 . 1 1 31 31 VAL N N 31 118.337 118.337 114.907 3.430 18833 1730 1 4 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.294 -0.203 18833 1731 1 4 . 1 1 31 31 VAL C C 31 176.528 176.528 176.091 0.437 18833 1732 1 4 . 1 1 31 31 VAL CA C 31 62.145 62.145 60.855 1.290 18833 1733 1 4 . 1 1 31 31 VAL CB C 31 32.500 32.500 33.172 -0.672 18833 1734 1 4 . 1 1 31 31 VAL H H 31 7.588 7.588 7.360 0.228 18833 1735 1 4 . 1 1 32 32 ARG N N 32 124.670 124.670 126.457 -1.787 18833 1736 1 4 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.114 -0.103 18833 1737 1 4 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.608 -0.635 18833 1738 1 4 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.073 -0.498 18833 1739 1 4 . 1 1 32 32 ARG H H 32 8.511 8.511 8.751 -0.240 18833 1740 1 4 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.615 -0.042 18833 1741 1 4 . 1 1 33 33 HIS C C 33 175.064 175.064 175.281 -0.217 18833 1742 1 4 . 1 1 33 33 HIS CA C 33 56.831 56.831 55.938 0.893 18833 1743 1 4 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.330 -0.212 18833 1744 1 4 . 1 1 34 34 GLY N N 34 109.531 109.531 108.012 1.519 18833 1745 1 4 . 1 1 34 34 GLY C C 34 174.582 174.582 174.665 -0.083 18833 1746 1 4 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.199 1.382 18833 1747 1 4 . 1 1 34 34 GLY H H 34 8.471 8.471 7.384 1.087 18833 1748 1 4 . 1 1 35 35 GLY N N 35 105.151 105.151 106.890 -1.739 18833 1749 1 4 . 1 1 35 35 GLY C C 35 170.505 170.505 174.192 -3.687 18833 1750 1 4 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.933 0.644 18833 1751 1 4 . 1 1 35 35 GLY H H 35 7.833 7.833 7.954 -0.121 18833 1752 1 4 . 1 1 36 36 ILE N N 36 119.676 119.676 126.738 -7.062 18833 1753 1 4 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.490 0.222 18833 1754 1 4 . 1 1 36 36 ILE C C 36 174.641 174.641 175.250 -0.609 18833 1755 1 4 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.644 -1.560 18833 1756 1 4 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.437 0.295 18833 1757 1 4 . 1 1 36 36 ILE H H 36 8.350 8.350 7.670 0.680 18833 1758 1 4 . 1 1 37 37 TYR N N 37 123.307 123.307 126.926 -3.619 18833 1759 1 4 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.772 0.535 18833 1760 1 4 . 1 1 37 37 TYR C C 37 176.165 176.165 176.409 -0.244 18833 1761 1 4 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.703 -1.856 18833 1762 1 4 . 1 1 37 37 TYR CB C 37 42.329 42.329 39.528 2.801 18833 1763 1 4 . 1 1 37 37 TYR H H 37 8.892 8.892 7.964 0.928 18833 1764 1 4 . 1 1 38 38 VAL N N 38 120.580 120.580 121.927 -1.347 18833 1765 1 4 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.044 -0.308 18833 1766 1 4 . 1 1 38 38 VAL C C 38 175.983 175.983 176.608 -0.625 18833 1767 1 4 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.411 0.259 18833 1768 1 4 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.397 0.131 18833 1769 1 4 . 1 1 38 38 VAL H H 38 9.365 9.365 9.162 0.203 18833 1770 1 4 . 1 1 39 39 LYS N N 39 133.297 133.297 129.670 3.627 18833 1771 1 4 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.313 0.072 18833 1772 1 4 . 1 1 39 39 LYS C C 39 174.520 174.520 176.244 -1.724 18833 1773 1 4 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.873 -0.364 18833 1774 1 4 . 1 1 39 39 LYS CB C 39 34.634 34.634 33.972 0.662 18833 1775 1 4 . 1 1 39 39 LYS H H 39 9.560 9.560 9.041 0.519 18833 1776 1 4 . 1 1 40 40 ALA N N 40 118.155 118.155 120.618 -2.463 18833 1777 1 4 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.622 -0.117 18833 1778 1 4 . 1 1 40 40 ALA C C 40 174.639 174.639 175.035 -0.396 18833 1779 1 4 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.583 0.212 18833 1780 1 4 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.899 0.581 18833 1781 1 4 . 1 1 40 40 ALA H H 40 7.498 7.498 7.482 0.016 18833 1782 1 4 . 1 1 41 41 VAL N N 41 121.634 121.634 120.866 0.768 18833 1783 1 4 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.591 -0.182 18833 1784 1 4 . 1 1 41 41 VAL C C 41 175.829 175.829 175.565 0.264 18833 1785 1 4 . 1 1 41 41 VAL CA C 41 61.304 61.304 61.124 0.180 18833 1786 1 4 . 1 1 41 41 VAL CB C 41 32.195 32.195 33.328 -1.133 18833 1787 1 4 . 1 1 41 41 VAL H H 41 8.634 8.634 8.367 0.267 18833 1788 1 4 . 1 1 42 42 ILE N N 42 128.094 128.094 129.288 -1.194 18833 1789 1 4 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.253 -0.107 18833 1790 1 4 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.609 -0.963 18833 1791 1 4 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.352 -0.347 18833 1792 1 4 . 1 1 42 42 ILE H H 42 7.944 7.944 9.006 -1.062 18833 1793 1 4 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.501 -0.050 18833 1794 1 4 . 1 1 43 43 PRO C C 43 177.234 177.234 176.484 0.750 18833 1795 1 4 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.335 0.862 18833 1796 1 4 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.637 0.207 18833 1797 1 4 . 1 1 44 44 GLN N N 44 116.825 116.825 116.353 0.472 18833 1798 1 4 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.996 -0.147 18833 1799 1 4 . 1 1 44 44 GLN C C 44 175.752 175.752 175.812 -0.060 18833 1800 1 4 . 1 1 44 44 GLN CA C 44 58.132 58.132 57.262 0.870 18833 1801 1 4 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.651 -0.177 18833 1802 1 4 . 1 1 44 44 GLN H H 44 9.345 9.345 9.624 -0.279 18833 1803 1 4 . 1 1 45 45 GLY N N 45 106.186 106.186 104.746 1.440 18833 1804 1 4 . 1 1 45 45 GLY C C 45 174.374 174.374 174.133 0.241 18833 1805 1 4 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.118 0.605 18833 1806 1 4 . 1 1 45 45 GLY H H 45 7.887 7.887 7.781 0.106 18833 1807 1 4 . 1 1 46 46 ALA N N 46 120.843 120.843 122.343 -1.500 18833 1808 1 4 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.013 0.046 18833 1809 1 4 . 1 1 46 46 ALA C C 46 180.628 180.628 179.108 1.520 18833 1810 1 4 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.292 -0.257 18833 1811 1 4 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.536 0.086 18833 1812 1 4 . 1 1 46 46 ALA H H 46 8.907 8.907 7.996 0.911 18833 1813 1 4 . 1 1 47 47 ALA N N 47 118.721 118.721 120.802 -2.081 18833 1814 1 4 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.929 0.142 18833 1815 1 4 . 1 1 47 47 ALA C C 47 180.589 180.589 179.102 1.487 18833 1816 1 4 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.019 -0.173 18833 1817 1 4 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.006 0.763 18833 1818 1 4 . 1 1 47 47 ALA H H 47 7.856 7.856 8.130 -0.274 18833 1819 1 4 . 1 1 48 48 GLU N N 48 124.373 124.373 118.786 5.587 18833 1820 1 4 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.915 -0.106 18833 1821 1 4 . 1 1 48 48 GLU C C 48 178.120 178.120 178.051 0.069 18833 1822 1 4 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.835 1.022 18833 1823 1 4 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.358 0.261 18833 1824 1 4 . 1 1 48 48 GLU H H 48 9.195 9.195 8.573 0.622 18833 1825 1 4 . 1 1 49 49 SER N N 49 113.220 113.220 112.941 0.279 18833 1826 1 4 . 1 1 49 49 SER HA H 49 4.099 4.099 4.208 -0.109 18833 1827 1 4 . 1 1 49 49 SER C C 49 175.707 175.707 176.499 -0.792 18833 1828 1 4 . 1 1 49 49 SER CA C 49 61.168 61.168 60.501 0.667 18833 1829 1 4 . 1 1 49 49 SER CB C 49 62.775 62.775 63.307 -0.532 18833 1830 1 4 . 1 1 49 49 SER H H 49 8.020 8.020 7.756 0.264 18833 1831 1 4 . 1 1 50 50 ASP N N 50 120.022 120.022 119.468 0.554 18833 1832 1 4 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.497 -0.117 18833 1833 1 4 . 1 1 50 50 ASP C C 50 177.650 177.650 177.684 -0.034 18833 1834 1 4 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.126 2.071 18833 1835 1 4 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.864 2.371 18833 1836 1 4 . 1 1 50 50 ASP H H 50 7.579 7.579 7.615 -0.036 18833 1837 1 4 . 1 1 51 51 GLY N N 51 102.979 102.979 107.430 -4.451 18833 1838 1 4 . 1 1 51 51 GLY C C 51 175.026 175.026 174.607 0.419 18833 1839 1 4 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.495 0.851 18833 1840 1 4 . 1 1 51 51 GLY H H 51 7.364 7.364 8.634 -1.270 18833 1841 1 4 . 1 1 52 52 ARG N N 52 117.501 117.501 120.878 -3.377 18833 1842 1 4 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.071 0.237 18833 1843 1 4 . 1 1 52 52 ARG C C 52 175.898 175.898 176.454 -0.556 18833 1844 1 4 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.457 0.447 18833 1845 1 4 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.754 2.245 18833 1846 1 4 . 1 1 52 52 ARG H H 52 7.958 7.958 7.673 0.285 18833 1847 1 4 . 1 1 53 53 ILE N N 53 120.028 120.028 118.906 1.122 18833 1848 1 4 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.267 -0.035 18833 1849 1 4 . 1 1 53 53 ILE C C 53 173.773 173.773 174.735 -0.962 18833 1850 1 4 . 1 1 53 53 ILE CA C 53 61.429 61.429 61.396 0.033 18833 1851 1 4 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.482 1.217 18833 1852 1 4 . 1 1 53 53 ILE H H 53 8.223 8.223 7.631 0.592 18833 1853 1 4 . 1 1 54 54 HIS N N 54 123.681 123.681 124.675 -0.994 18833 1854 1 4 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.943 -0.142 18833 1855 1 4 . 1 1 54 54 HIS C C 54 173.826 173.826 174.768 -0.942 18833 1856 1 4 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.312 0.573 18833 1857 1 4 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.360 1.139 18833 1858 1 4 . 1 1 54 54 HIS H H 54 9.073 9.073 9.433 -0.360 18833 1859 1 4 . 1 1 55 55 LYS N N 55 120.814 120.814 121.924 -1.110 18833 1860 1 4 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.898 -0.288 18833 1861 1 4 . 1 1 55 55 LYS C C 55 177.014 177.014 177.425 -0.411 18833 1862 1 4 . 1 1 55 55 LYS CA C 55 58.433 58.433 58.199 0.234 18833 1863 1 4 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.184 0.176 18833 1864 1 4 . 1 1 55 55 LYS H H 55 8.715 8.715 8.700 0.015 18833 1865 1 4 . 1 1 56 56 GLY N N 56 114.423 114.423 115.290 -0.867 18833 1866 1 4 . 1 1 56 56 GLY C C 56 174.469 174.469 175.018 -0.549 18833 1867 1 4 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.873 -0.035 18833 1868 1 4 . 1 1 56 56 GLY H H 56 9.128 9.128 8.750 0.378 18833 1869 1 4 . 1 1 57 57 ASP N N 57 121.735 121.735 123.080 -1.345 18833 1870 1 4 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.756 0.127 18833 1871 1 4 . 1 1 57 57 ASP C C 57 174.808 174.808 174.915 -0.107 18833 1872 1 4 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.294 0.533 18833 1873 1 4 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.380 -0.325 18833 1874 1 4 . 1 1 57 57 ASP H H 57 8.033 8.033 7.922 0.111 18833 1875 1 4 . 1 1 58 58 ARG N N 58 123.530 123.530 123.587 -0.057 18833 1876 1 4 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.676 -0.038 18833 1877 1 4 . 1 1 58 58 ARG C C 58 175.641 175.641 174.813 0.828 18833 1878 1 4 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.504 0.196 18833 1879 1 4 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.459 2.171 18833 1880 1 4 . 1 1 58 58 ARG H H 58 9.097 9.097 8.276 0.821 18833 1881 1 4 . 1 1 59 59 VAL N N 59 126.202 126.202 125.922 0.280 18833 1882 1 4 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.304 -0.399 18833 1883 1 4 . 1 1 59 59 VAL C C 59 174.515 174.515 175.413 -0.898 18833 1884 1 4 . 1 1 59 59 VAL CA C 59 62.152 62.152 62.877 -0.725 18833 1885 1 4 . 1 1 59 59 VAL CB C 59 31.074 31.074 31.991 -0.917 18833 1886 1 4 . 1 1 59 59 VAL H H 59 8.898 8.898 8.958 -0.060 18833 1887 1 4 . 1 1 60 60 LEU N N 60 127.209 127.209 121.125 6.084 18833 1888 1 4 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.795 -0.475 18833 1889 1 4 . 1 1 60 60 LEU C C 60 178.352 178.352 176.329 2.023 18833 1890 1 4 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.738 1.423 18833 1891 1 4 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.390 -0.765 18833 1892 1 4 . 1 1 60 60 LEU H H 60 9.193 9.193 8.601 0.592 18833 1893 1 4 . 1 1 61 61 ALA N N 61 118.965 118.965 120.007 -1.042 18833 1894 1 4 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.371 -0.432 18833 1895 1 4 . 1 1 61 61 ALA C C 61 175.332 175.332 175.341 -0.009 18833 1896 1 4 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.185 2.107 18833 1897 1 4 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.849 -0.763 18833 1898 1 4 . 1 1 61 61 ALA H H 61 7.759 7.759 7.507 0.252 18833 1899 1 4 . 1 1 62 62 VAL N N 62 119.695 119.695 118.863 0.832 18833 1900 1 4 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.660 -0.176 18833 1901 1 4 . 1 1 62 62 VAL C C 62 175.538 175.538 175.938 -0.400 18833 1902 1 4 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.258 -0.721 18833 1903 1 4 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.193 -0.232 18833 1904 1 4 . 1 1 62 62 VAL H H 62 8.218 8.218 8.020 0.198 18833 1905 1 4 . 1 1 63 63 ASN N N 63 128.940 128.940 128.076 0.864 18833 1906 1 4 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.354 0.217 18833 1907 1 4 . 1 1 63 63 ASN C C 63 175.155 175.155 175.542 -0.387 18833 1908 1 4 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.213 0.246 18833 1909 1 4 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.053 -1.134 18833 1910 1 4 . 1 1 63 63 ASN H H 63 10.387 10.387 9.266 1.121 18833 1911 1 4 . 1 1 64 64 GLY N N 64 103.432 103.432 102.381 1.051 18833 1912 1 4 . 1 1 64 64 GLY C C 64 173.902 173.902 174.085 -0.183 18833 1913 1 4 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.180 0.017 18833 1914 1 4 . 1 1 64 64 GLY H H 64 9.094 9.094 8.489 0.605 18833 1915 1 4 . 1 1 65 65 VAL N N 65 123.418 123.418 121.628 1.790 18833 1916 1 4 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.161 -0.185 18833 1917 1 4 . 1 1 65 65 VAL C C 65 175.675 175.675 175.481 0.194 18833 1918 1 4 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.204 0.858 18833 1919 1 4 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.920 -1.091 18833 1920 1 4 . 1 1 65 65 VAL H H 65 7.948 7.948 7.780 0.168 18833 1921 1 4 . 1 1 66 66 SER N N 66 121.122 121.122 124.515 -3.393 18833 1922 1 4 . 1 1 66 66 SER HA H 66 4.365 4.365 4.354 0.011 18833 1923 1 4 . 1 1 66 66 SER C C 66 176.402 176.402 174.132 2.270 18833 1924 1 4 . 1 1 66 66 SER CA C 66 58.310 58.310 59.216 -0.906 18833 1925 1 4 . 1 1 66 66 SER CB C 66 63.651 63.651 63.087 0.564 18833 1926 1 4 . 1 1 66 66 SER H H 66 8.671 8.671 8.781 -0.110 18833 1927 1 4 . 1 1 67 67 LEU N N 67 125.351 125.351 125.385 -0.034 18833 1928 1 4 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.478 -0.038 18833 1929 1 4 . 1 1 67 67 LEU C C 67 176.359 176.359 177.120 -0.761 18833 1930 1 4 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.217 -0.350 18833 1931 1 4 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.650 -0.669 18833 1932 1 4 . 1 1 67 67 LEU H H 67 8.205 8.205 8.362 -0.157 18833 1933 1 4 . 1 1 68 68 GLU N N 68 123.211 123.211 119.408 3.803 18833 1934 1 4 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.098 -0.052 18833 1935 1 4 . 1 1 68 68 GLU C C 68 177.820 177.820 177.789 0.031 18833 1936 1 4 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.724 0.811 18833 1937 1 4 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.598 -0.518 18833 1938 1 4 . 1 1 68 68 GLU H H 68 8.300 8.300 7.558 0.743 18833 1939 1 4 . 1 1 69 69 GLY N N 69 115.507 115.507 112.157 3.350 18833 1940 1 4 . 1 1 69 69 GLY C C 69 173.652 173.652 174.472 -0.820 18833 1941 1 4 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.260 0.087 18833 1942 1 4 . 1 1 69 69 GLY H H 69 8.945 8.945 9.044 -0.099 18833 1943 1 4 . 1 1 70 70 ALA N N 70 122.308 122.308 123.960 -1.652 18833 1944 1 4 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.362 0.128 18833 1945 1 4 . 1 1 70 70 ALA C C 70 179.583 179.583 176.195 3.388 18833 1946 1 4 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.011 0.473 18833 1947 1 4 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.529 0.059 18833 1948 1 4 . 1 1 70 70 ALA H H 70 7.882 7.882 7.453 0.429 18833 1949 1 4 . 1 1 71 71 THR N N 71 111.173 111.173 108.770 2.403 18833 1950 1 4 . 1 1 71 71 THR HA H 71 4.526 4.526 4.351 0.175 18833 1951 1 4 . 1 1 71 71 THR C C 71 174.660 174.660 175.763 -1.103 18833 1952 1 4 . 1 1 71 71 THR CA C 71 60.732 60.732 60.838 -0.106 18833 1953 1 4 . 1 1 71 71 THR CB C 71 71.196 71.196 70.683 0.513 18833 1954 1 4 . 1 1 71 71 THR H H 71 8.185 8.185 7.995 0.190 18833 1955 1 4 . 1 1 72 72 HIS N N 72 121.107 121.107 121.333 -0.226 18833 1956 1 4 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.428 -0.427 18833 1957 1 4 . 1 1 72 72 HIS C C 72 176.702 176.702 177.019 -0.317 18833 1958 1 4 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.152 2.300 18833 1959 1 4 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.324 0.985 18833 1960 1 4 . 1 1 72 72 HIS H H 72 9.077 9.077 8.668 0.409 18833 1961 1 4 . 1 1 73 73 LYS N N 73 116.672 116.672 117.624 -0.952 18833 1962 1 4 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.867 -0.111 18833 1963 1 4 . 1 1 73 73 LYS C C 73 178.603 178.603 178.712 -0.109 18833 1964 1 4 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.377 0.645 18833 1965 1 4 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.421 1.039 18833 1966 1 4 . 1 1 73 73 LYS H H 73 8.473 8.473 7.885 0.588 18833 1967 1 4 . 1 1 74 74 GLN N N 74 116.558 116.558 120.920 -4.362 18833 1968 1 4 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.068 -0.136 18833 1969 1 4 . 1 1 74 74 GLN C C 74 179.891 179.891 178.216 1.675 18833 1970 1 4 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.159 0.412 18833 1971 1 4 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.014 0.311 18833 1972 1 4 . 1 1 74 74 GLN H H 74 7.568 7.568 7.601 -0.033 18833 1973 1 4 . 1 1 75 75 ALA N N 75 123.337 123.337 121.379 1.958 18833 1974 1 4 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.087 -0.293 18833 1975 1 4 . 1 1 75 75 ALA C C 75 178.309 178.309 178.978 -0.669 18833 1976 1 4 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.136 0.531 18833 1977 1 4 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.148 1.220 18833 1978 1 4 . 1 1 75 75 ALA H H 75 8.320 8.320 7.905 0.415 18833 1979 1 4 . 1 1 76 76 VAL N N 76 118.172 118.172 119.022 -0.850 18833 1980 1 4 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.704 -0.517 18833 1981 1 4 . 1 1 76 76 VAL C C 76 179.705 179.705 177.562 2.143 18833 1982 1 4 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.032 1.120 18833 1983 1 4 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.545 -0.370 18833 1984 1 4 . 1 1 76 76 VAL H H 76 8.122 8.122 7.298 0.824 18833 1985 1 4 . 1 1 77 77 CYS N N 77 116.979 116.979 117.780 -0.801 18833 1986 1 4 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.056 0.145 18833 1987 1 4 . 1 1 77 77 CYS C C 77 177.004 177.004 177.672 -0.668 18833 1988 1 4 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.173 -1.281 18833 1989 1 4 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.372 11.171 18833 1990 1 4 . 1 1 77 77 CYS H H 77 8.327 8.327 8.434 -0.107 18833 1991 1 4 . 1 1 78 78 THR N N 78 117.521 117.521 117.001 0.520 18833 1992 1 4 . 1 1 78 78 THR HA H 78 3.867 3.867 3.921 -0.054 18833 1993 1 4 . 1 1 78 78 THR C C 78 176.306 176.306 176.175 0.131 18833 1994 1 4 . 1 1 78 78 THR CA C 78 67.197 67.197 66.504 0.693 18833 1995 1 4 . 1 1 78 78 THR CB C 78 68.145 68.145 68.736 -0.591 18833 1996 1 4 . 1 1 78 78 THR H H 78 8.259 8.259 7.783 0.476 18833 1997 1 4 . 1 1 79 79 LEU N N 79 119.714 119.714 121.282 -1.568 18833 1998 1 4 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.938 -0.102 18833 1999 1 4 . 1 1 79 79 LEU CA C 79 57.950 57.950 58.162 -0.212 18833 2000 1 4 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.360 0.268 18833 2001 1 4 . 1 1 79 79 LEU H H 79 7.748 7.748 7.459 0.289 18833 2002 1 4 . 1 1 80 80 ARG N N 80 119.613 119.613 117.259 2.354 18833 2003 1 4 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.955 0.160 18833 2004 1 4 . 1 1 80 80 ARG C C 80 177.905 177.905 178.292 -0.387 18833 2005 1 4 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.313 -0.851 18833 2006 1 4 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.791 0.979 18833 2007 1 4 . 1 1 80 80 ARG H H 80 7.944 7.944 7.832 0.112 18833 2008 1 4 . 1 1 81 81 ASN N N 81 119.257 119.257 115.061 4.196 18833 2009 1 4 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.716 0.245 18833 2010 1 4 . 1 1 81 81 ASN C C 81 175.030 175.030 175.347 -0.317 18833 2011 1 4 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.861 -1.056 18833 2012 1 4 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.220 -1.766 18833 2013 1 4 . 1 1 81 81 ASN H H 81 7.843 7.843 7.816 0.027 18833 2014 1 4 . 1 1 82 82 THR N N 82 109.817 109.817 113.458 -3.641 18833 2015 1 4 . 1 1 82 82 THR HA H 82 4.391 4.391 4.483 -0.092 18833 2016 1 4 . 1 1 82 82 THR C C 82 175.114 175.114 175.424 -0.310 18833 2017 1 4 . 1 1 82 82 THR CA C 82 60.155 60.155 62.078 -1.923 18833 2018 1 4 . 1 1 82 82 THR CB C 82 72.327 72.327 70.101 2.226 18833 2019 1 4 . 1 1 82 82 THR H H 82 7.514 7.514 7.512 0.002 18833 2020 1 4 . 1 1 83 83 GLY N N 83 109.536 109.536 108.449 1.087 18833 2021 1 4 . 1 1 83 83 GLY C C 83 173.492 173.492 174.466 -0.974 18833 2022 1 4 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.566 -0.440 18833 2023 1 4 . 1 1 83 83 GLY H H 83 8.406 8.406 8.443 -0.037 18833 2024 1 4 . 1 1 84 84 GLN N N 84 117.293 117.293 118.485 -1.192 18833 2025 1 4 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.241 -0.273 18833 2026 1 4 . 1 1 84 84 GLN C C 84 175.351 175.351 175.304 0.047 18833 2027 1 4 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.051 0.461 18833 2028 1 4 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.262 -0.238 18833 2029 1 4 . 1 1 84 84 GLN H H 84 8.218 8.218 8.535 -0.317 18833 2030 1 4 . 1 1 85 85 VAL N N 85 116.238 116.238 118.249 -2.011 18833 2031 1 4 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.456 0.236 18833 2032 1 4 . 1 1 85 85 VAL C C 85 175.864 175.864 175.493 0.371 18833 2033 1 4 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.327 0.015 18833 2034 1 4 . 1 1 85 85 VAL CB C 85 33.374 33.374 32.997 0.377 18833 2035 1 4 . 1 1 85 85 VAL H H 85 7.715 7.715 7.720 -0.005 18833 2036 1 4 . 1 1 86 86 VAL N N 86 128.273 128.273 127.427 0.846 18833 2037 1 4 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.454 0.070 18833 2038 1 4 . 1 1 86 86 VAL C C 86 173.320 173.320 174.465 -1.145 18833 2039 1 4 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.590 0.196 18833 2040 1 4 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.443 -0.338 18833 2041 1 4 . 1 1 86 86 VAL H H 86 9.034 9.034 8.589 0.445 18833 2042 1 4 . 1 1 87 87 HIS N N 87 126.224 126.224 125.415 0.809 18833 2043 1 4 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.993 0.044 18833 2044 1 4 . 1 1 87 87 HIS C C 87 174.442 174.442 174.981 -0.539 18833 2045 1 4 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.611 0.147 18833 2046 1 4 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.662 1.839 18833 2047 1 4 . 1 1 87 87 HIS H H 87 8.761 8.761 8.883 -0.122 18833 2048 1 4 . 1 1 88 88 LEU N N 88 126.604 126.604 125.322 1.282 18833 2049 1 4 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.597 0.372 18833 2050 1 4 . 1 1 88 88 LEU C C 88 173.306 173.306 174.512 -1.206 18833 2051 1 4 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.825 -0.176 18833 2052 1 4 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.708 0.580 18833 2053 1 4 . 1 1 88 88 LEU H H 88 9.045 9.045 9.271 -0.226 18833 2054 1 4 . 1 1 89 89 LEU N N 89 124.501 124.501 124.877 -0.376 18833 2055 1 4 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.968 -0.247 18833 2056 1 4 . 1 1 89 89 LEU C C 89 175.180 175.180 174.352 0.828 18833 2057 1 4 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.374 0.364 18833 2058 1 4 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.590 0.776 18833 2059 1 4 . 1 1 89 89 LEU H H 89 7.977 7.977 8.674 -0.697 18833 2060 1 4 . 1 1 90 90 LEU N N 90 127.520 127.520 126.437 1.083 18833 2061 1 4 . 1 1 90 90 LEU HA H 90 5.289 5.289 5.045 0.244 18833 2062 1 4 . 1 1 90 90 LEU C C 90 173.616 173.616 174.595 -0.979 18833 2063 1 4 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.623 0.532 18833 2064 1 4 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.518 -0.498 18833 2065 1 4 . 1 1 90 90 LEU H H 90 8.896 8.896 8.813 0.083 18833 2066 1 4 . 1 1 91 91 GLU N N 91 118.964 118.964 120.763 -1.799 18833 2067 1 4 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.158 -0.072 18833 2068 1 4 . 1 1 91 91 GLU C C 91 176.652 176.652 175.987 0.665 18833 2069 1 4 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.456 -0.638 18833 2070 1 4 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.250 0.656 18833 2071 1 4 . 1 1 91 91 GLU H H 91 8.825 8.825 9.197 -0.372 18833 2072 1 4 . 1 1 92 92 LYS N N 92 128.805 128.805 125.874 2.931 18833 2073 1 4 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.338 0.031 18833 2074 1 4 . 1 1 92 92 LYS C C 92 178.011 178.011 176.712 1.299 18833 2075 1 4 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.548 -0.208 18833 2076 1 4 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.086 -1.017 18833 2077 1 4 . 1 1 92 92 LYS H H 92 9.333 9.333 9.212 0.121 18833 2078 1 4 . 1 1 93 93 GLY N N 93 117.774 117.774 108.718 9.056 18833 2079 1 4 . 1 1 93 93 GLY C C 93 173.157 173.157 172.648 0.509 18833 2080 1 4 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.888 0.287 18833 2081 1 4 . 1 1 93 93 GLY H H 93 9.735 9.735 8.383 1.352 18833 2082 1 4 . 1 1 94 94 GLN N N 94 116.912 116.912 118.066 -1.154 18833 2083 1 4 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.586 -0.322 18833 2084 1 4 . 1 1 94 94 GLN C C 94 175.955 175.955 175.287 0.668 18833 2085 1 4 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.006 0.495 18833 2086 1 4 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.666 0.052 18833 2087 1 4 . 1 1 94 94 GLN H H 94 8.243 8.243 7.951 0.292 18833 2088 1 4 . 1 1 95 95 SER N N 95 118.157 118.157 118.818 -0.661 18833 2089 1 4 . 1 1 95 95 SER HA H 95 4.662 4.662 4.911 -0.249 18833 2090 1 4 . 1 1 95 95 SER CA C 95 56.615 56.615 54.665 1.950 18833 2091 1 4 . 1 1 95 95 SER CB C 95 63.203 63.203 63.386 -0.183 18833 2092 1 4 . 1 1 95 95 SER H H 95 8.396 8.396 8.513 -0.117 18833 2093 1 4 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.540 -0.063 18833 2094 1 4 . 1 1 96 96 PRO C C 96 176.303 176.303 175.714 0.589 18833 2095 1 4 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.916 0.598 18833 2096 1 4 . 1 1 96 96 PRO CB C 96 31.929 31.929 30.551 1.378 18833 2097 1 5 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.383 0.089 18833 2098 1 5 . 1 1 2 2 PRO C C 2 175.867 175.867 176.306 -0.439 18833 2099 1 5 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.086 0.754 18833 2100 1 5 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.263 0.050 18833 2101 1 5 . 1 1 3 3 LYS N N 3 124.698 124.698 122.799 1.899 18833 2102 1 5 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.588 0.019 18833 2103 1 5 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.671 -1.064 18833 2104 1 5 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.261 -0.674 18833 2105 1 5 . 1 1 3 3 LYS H H 3 8.933 8.933 8.924 0.009 18833 2106 1 5 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.229 -0.288 18833 2107 1 5 . 1 1 4 4 PRO C C 4 177.504 177.504 177.283 0.221 18833 2108 1 5 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.074 0.438 18833 2109 1 5 . 1 1 4 4 PRO CB C 4 31.670 31.670 30.582 1.088 18833 2110 1 5 . 1 1 5 5 GLY N N 5 113.652 113.652 113.655 -0.003 18833 2111 1 5 . 1 1 5 5 GLY C C 5 174.146 174.146 173.773 0.373 18833 2112 1 5 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.701 0.371 18833 2113 1 5 . 1 1 5 5 GLY H H 5 9.014 9.014 8.214 0.800 18833 2114 1 5 . 1 1 6 6 ASP N N 6 121.766 121.766 121.719 0.047 18833 2115 1 5 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.930 -0.259 18833 2116 1 5 . 1 1 6 6 ASP C C 6 175.762 175.762 175.176 0.586 18833 2117 1 5 . 1 1 6 6 ASP CA C 6 54.899 54.899 54.208 0.691 18833 2118 1 5 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.877 -1.471 18833 2119 1 5 . 1 1 6 6 ASP H H 6 8.489 8.489 8.237 0.252 18833 2120 1 5 . 1 1 7 7 ILE N N 7 121.794 121.794 122.284 -0.490 18833 2121 1 5 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.596 0.737 18833 2122 1 5 . 1 1 7 7 ILE C C 7 176.854 176.854 175.612 1.242 18833 2123 1 5 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.234 -0.602 18833 2124 1 5 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.422 -1.206 18833 2125 1 5 . 1 1 7 7 ILE H H 7 8.368 8.368 8.532 -0.164 18833 2126 1 5 . 1 1 8 8 PHE N N 8 125.873 125.873 123.940 1.933 18833 2127 1 5 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.983 0.081 18833 2128 1 5 . 1 1 8 8 PHE C C 8 171.167 171.167 173.285 -2.118 18833 2129 1 5 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.701 -0.151 18833 2130 1 5 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.139 0.194 18833 2131 1 5 . 1 1 8 8 PHE H H 8 9.498 9.498 8.419 1.079 18833 2132 1 5 . 1 1 9 9 GLU N N 9 119.065 119.065 120.026 -0.961 18833 2133 1 5 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.997 0.218 18833 2134 1 5 . 1 1 9 9 GLU C C 9 176.019 176.019 176.110 -0.091 18833 2135 1 5 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.220 -1.231 18833 2136 1 5 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.933 1.478 18833 2137 1 5 . 1 1 9 9 GLU H H 9 8.502 8.502 8.493 0.009 18833 2138 1 5 . 1 1 10 10 VAL N N 10 120.078 120.078 123.889 -3.811 18833 2139 1 5 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.388 -0.253 18833 2140 1 5 . 1 1 10 10 VAL C C 10 173.177 173.177 174.700 -1.523 18833 2141 1 5 . 1 1 10 10 VAL CA C 10 61.113 61.113 61.435 -0.322 18833 2142 1 5 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.124 2.657 18833 2143 1 5 . 1 1 10 10 VAL H H 10 8.581 8.581 9.221 -0.640 18833 2144 1 5 . 1 1 11 11 GLU N N 11 126.482 126.482 127.649 -1.167 18833 2145 1 5 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.082 -0.083 18833 2146 1 5 . 1 1 11 11 GLU C C 11 174.618 174.618 175.295 -0.677 18833 2147 1 5 . 1 1 11 11 GLU CA C 11 54.814 54.814 55.082 -0.268 18833 2148 1 5 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.488 0.520 18833 2149 1 5 . 1 1 11 11 GLU H H 11 7.810 7.810 8.620 -0.810 18833 2150 1 5 . 1 1 12 12 LEU N N 12 126.093 126.093 127.015 -0.922 18833 2151 1 5 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.656 -0.002 18833 2152 1 5 . 1 1 12 12 LEU C C 12 174.013 174.013 175.091 -1.078 18833 2153 1 5 . 1 1 12 12 LEU CA C 12 53.174 53.174 52.967 0.207 18833 2154 1 5 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.955 1.911 18833 2155 1 5 . 1 1 12 12 LEU H H 12 8.888 8.888 8.440 0.448 18833 2156 1 5 . 1 1 13 13 ALA N N 13 126.137 126.137 128.522 -2.385 18833 2157 1 5 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.657 0.444 18833 2158 1 5 . 1 1 13 13 ALA C C 13 177.290 177.290 177.828 -0.538 18833 2159 1 5 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.180 -1.297 18833 2160 1 5 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.271 -0.862 18833 2161 1 5 . 1 1 13 13 ALA H H 13 8.494 8.494 8.668 -0.174 18833 2162 1 5 . 1 1 14 14 LYS N N 14 120.270 120.270 125.848 -5.578 18833 2163 1 5 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.215 -0.417 18833 2164 1 5 . 1 1 14 14 LYS C C 14 176.313 176.313 176.413 -0.100 18833 2165 1 5 . 1 1 14 14 LYS CA C 14 57.798 57.798 54.907 2.891 18833 2166 1 5 . 1 1 14 14 LYS CB C 14 33.913 33.913 30.723 3.190 18833 2167 1 5 . 1 1 14 14 LYS H H 14 8.486 8.486 8.673 -0.187 18833 2168 1 5 . 1 1 15 15 ASN N N 15 117.746 117.746 118.046 -0.300 18833 2169 1 5 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.402 0.422 18833 2170 1 5 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.626 -2.847 18833 2171 1 5 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.627 1.495 18833 2172 1 5 . 1 1 15 15 ASN H H 15 8.139 8.139 7.956 0.183 18833 2173 1 5 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.464 -0.163 18833 2174 1 5 . 1 1 16 16 ASP C C 16 175.367 175.367 176.342 -0.975 18833 2175 1 5 . 1 1 16 16 ASP CA C 16 55.452 55.452 56.499 -1.047 18833 2176 1 5 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.217 -1.761 18833 2177 1 5 . 1 1 17 17 ASN N N 17 111.793 111.793 113.653 -1.860 18833 2178 1 5 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.661 -0.281 18833 2179 1 5 . 1 1 17 17 ASN C C 17 174.599 174.599 173.912 0.687 18833 2180 1 5 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.434 0.359 18833 2181 1 5 . 1 1 17 17 ASN CB C 17 38.716 38.716 38.847 -0.131 18833 2182 1 5 . 1 1 17 17 ASN H H 17 8.698 8.698 8.520 0.178 18833 2183 1 5 . 1 1 18 18 SER N N 18 112.321 112.321 116.874 -4.553 18833 2184 1 5 . 1 1 18 18 SER HA H 18 4.827 4.827 4.637 0.190 18833 2185 1 5 . 1 1 18 18 SER CA C 18 56.795 56.795 57.398 -0.603 18833 2186 1 5 . 1 1 18 18 SER CB C 18 64.855 64.855 64.413 0.442 18833 2187 1 5 . 1 1 18 18 SER H H 18 7.989 7.989 8.384 -0.395 18833 2188 1 5 . 1 1 19 19 LEU N N 19 127.097 127.097 123.844 3.253 18833 2189 1 5 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.218 -0.053 18833 2190 1 5 . 1 1 19 19 LEU C C 19 177.329 177.329 178.035 -0.706 18833 2191 1 5 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.977 -0.465 18833 2192 1 5 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.002 1.317 18833 2193 1 5 . 1 1 19 19 LEU H H 19 9.247 9.247 8.662 0.585 18833 2194 1 5 . 1 1 20 20 GLY N N 20 104.340 104.340 104.140 0.200 18833 2195 1 5 . 1 1 20 20 GLY C C 20 175.984 175.984 173.739 2.245 18833 2196 1 5 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.033 1.766 18833 2197 1 5 . 1 1 20 20 GLY H H 20 8.664 8.664 8.326 0.338 18833 2198 1 5 . 1 1 21 21 ILE N N 21 115.279 115.279 117.580 -2.301 18833 2199 1 5 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.220 -0.224 18833 2200 1 5 . 1 1 21 21 ILE C C 21 175.972 175.972 175.118 0.854 18833 2201 1 5 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.510 0.271 18833 2202 1 5 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.755 0.867 18833 2203 1 5 . 1 1 21 21 ILE H H 21 7.614 7.614 7.708 -0.094 18833 2204 1 5 . 1 1 22 22 CYS N N 22 122.210 122.210 120.671 1.539 18833 2205 1 5 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.103 0.168 18833 2206 1 5 . 1 1 22 22 CYS C C 22 175.904 175.904 172.970 2.934 18833 2207 1 5 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.398 -5.453 18833 2208 1 5 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.863 4.329 18833 2209 1 5 . 1 1 22 22 CYS H H 22 8.506 8.506 8.510 -0.004 18833 2210 1 5 . 1 1 23 23 VAL N N 23 117.739 117.739 115.542 2.197 18833 2211 1 5 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.302 0.165 18833 2212 1 5 . 1 1 23 23 VAL C C 23 173.821 173.821 174.155 -0.334 18833 2213 1 5 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.009 -0.189 18833 2214 1 5 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.533 0.222 18833 2215 1 5 . 1 1 23 23 VAL H H 23 9.203 9.203 8.448 0.755 18833 2216 1 5 . 1 1 24 24 THR N N 24 114.753 114.753 114.244 0.509 18833 2217 1 5 . 1 1 24 24 THR HA H 24 4.649 4.649 4.766 -0.117 18833 2218 1 5 . 1 1 24 24 THR C C 24 171.786 171.786 172.993 -1.207 18833 2219 1 5 . 1 1 24 24 THR CA C 24 59.529 59.529 59.508 0.021 18833 2220 1 5 . 1 1 24 24 THR CB C 24 70.563 70.563 70.239 0.324 18833 2221 1 5 . 1 1 24 24 THR H H 24 9.237 9.237 8.685 0.552 18833 2222 1 5 . 1 1 25 25 GLY N N 25 111.927 111.927 109.350 2.577 18833 2223 1 5 . 1 1 25 25 GLY C C 25 174.099 174.099 172.655 1.444 18833 2224 1 5 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.928 -0.316 18833 2225 1 5 . 1 1 25 25 GLY H H 25 8.291 8.291 8.607 -0.316 18833 2226 1 5 . 1 1 26 26 GLY N N 26 107.140 107.140 107.071 0.069 18833 2227 1 5 . 1 1 26 26 GLY C C 26 176.180 176.180 175.322 0.858 18833 2228 1 5 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.271 -1.468 18833 2229 1 5 . 1 1 26 26 GLY H H 26 7.545 7.545 8.262 -0.717 18833 2230 1 5 . 1 1 27 27 VAL N N 27 116.837 116.837 122.181 -5.344 18833 2231 1 5 . 1 1 27 27 VAL HA H 27 4.126 4.126 4.029 0.097 18833 2232 1 5 . 1 1 27 27 VAL C C 27 175.764 175.764 175.811 -0.047 18833 2233 1 5 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.275 1.520 18833 2234 1 5 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.673 1.310 18833 2235 1 5 . 1 1 27 27 VAL H H 27 8.091 8.091 8.402 -0.311 18833 2236 1 5 . 1 1 28 28 ASN N N 28 117.997 117.997 117.041 0.956 18833 2237 1 5 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.429 0.380 18833 2238 1 5 . 1 1 28 28 ASN C C 28 174.860 174.860 174.338 0.522 18833 2239 1 5 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.713 -0.258 18833 2240 1 5 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.295 0.452 18833 2241 1 5 . 1 1 28 28 ASN H H 28 8.795 8.795 8.157 0.638 18833 2242 1 5 . 1 1 29 29 THR N N 29 111.381 111.381 113.631 -2.250 18833 2243 1 5 . 1 1 29 29 THR HA H 29 4.689 4.689 4.547 0.142 18833 2244 1 5 . 1 1 29 29 THR CA C 29 61.526 61.526 59.914 1.612 18833 2245 1 5 . 1 1 29 29 THR CB C 29 70.889 70.889 69.780 1.109 18833 2246 1 5 . 1 1 29 29 THR H H 29 7.858 7.858 8.114 -0.256 18833 2247 1 5 . 1 1 30 30 SER N N 30 114.070 114.070 115.848 -1.778 18833 2248 1 5 . 1 1 30 30 SER HA H 30 4.535 4.535 4.224 0.311 18833 2249 1 5 . 1 1 30 30 SER C C 30 174.879 174.879 174.671 0.208 18833 2250 1 5 . 1 1 30 30 SER CA C 30 58.380 58.380 60.174 -1.794 18833 2251 1 5 . 1 1 30 30 SER CB C 30 63.532 63.532 63.300 0.232 18833 2252 1 5 . 1 1 30 30 SER H H 30 8.433 8.433 8.657 -0.224 18833 2253 1 5 . 1 1 31 31 VAL N N 31 118.337 118.337 116.532 1.805 18833 2254 1 5 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.112 -0.021 18833 2255 1 5 . 1 1 31 31 VAL C C 31 176.528 176.528 176.874 -0.346 18833 2256 1 5 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.782 0.363 18833 2257 1 5 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.722 -0.222 18833 2258 1 5 . 1 1 31 31 VAL H H 31 7.588 7.588 7.593 -0.005 18833 2259 1 5 . 1 1 32 32 ARG N N 32 124.670 124.670 127.613 -2.943 18833 2260 1 5 . 1 1 32 32 ARG HA H 32 4.011 4.011 3.959 0.052 18833 2261 1 5 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.672 -0.700 18833 2262 1 5 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.256 -0.681 18833 2263 1 5 . 1 1 32 32 ARG H H 32 8.511 8.511 8.577 -0.066 18833 2264 1 5 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.580 -0.007 18833 2265 1 5 . 1 1 33 33 HIS C C 33 175.064 175.064 175.498 -0.434 18833 2266 1 5 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.343 0.488 18833 2267 1 5 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.056 0.062 18833 2268 1 5 . 1 1 34 34 GLY N N 34 109.531 109.531 107.016 2.515 18833 2269 1 5 . 1 1 34 34 GLY C C 34 174.582 174.582 174.772 -0.190 18833 2270 1 5 . 1 1 34 34 GLY CA C 34 46.581 46.581 46.021 0.560 18833 2271 1 5 . 1 1 34 34 GLY H H 34 8.471 8.471 7.629 0.842 18833 2272 1 5 . 1 1 35 35 GLY N N 35 105.151 105.151 107.559 -2.408 18833 2273 1 5 . 1 1 35 35 GLY C C 35 170.505 170.505 174.131 -3.626 18833 2274 1 5 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.900 0.677 18833 2275 1 5 . 1 1 35 35 GLY H H 35 7.833 7.833 7.926 -0.093 18833 2276 1 5 . 1 1 36 36 ILE N N 36 119.676 119.676 121.339 -1.663 18833 2277 1 5 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.443 0.269 18833 2278 1 5 . 1 1 36 36 ILE C C 36 174.641 174.641 175.194 -0.553 18833 2279 1 5 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.056 -1.972 18833 2280 1 5 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.865 -0.133 18833 2281 1 5 . 1 1 36 36 ILE H H 36 8.350 8.350 7.902 0.448 18833 2282 1 5 . 1 1 37 37 TYR N N 37 123.307 123.307 127.827 -4.520 18833 2283 1 5 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.845 0.462 18833 2284 1 5 . 1 1 37 37 TYR C C 37 176.165 176.165 175.886 0.279 18833 2285 1 5 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.096 -1.249 18833 2286 1 5 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.951 1.378 18833 2287 1 5 . 1 1 37 37 TYR H H 37 8.892 8.892 9.035 -0.143 18833 2288 1 5 . 1 1 38 38 VAL N N 38 120.580 120.580 121.767 -1.187 18833 2289 1 5 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.046 -0.310 18833 2290 1 5 . 1 1 38 38 VAL C C 38 175.983 175.983 176.068 -0.085 18833 2291 1 5 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.376 0.294 18833 2292 1 5 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.573 -0.045 18833 2293 1 5 . 1 1 38 38 VAL H H 38 9.365 9.365 9.217 0.148 18833 2294 1 5 . 1 1 39 39 LYS N N 39 133.297 133.297 128.572 4.725 18833 2295 1 5 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.436 -0.051 18833 2296 1 5 . 1 1 39 39 LYS C C 39 174.520 174.520 175.685 -1.165 18833 2297 1 5 . 1 1 39 39 LYS CA C 39 56.509 56.509 55.942 0.567 18833 2298 1 5 . 1 1 39 39 LYS CB C 39 34.634 34.634 35.147 -0.513 18833 2299 1 5 . 1 1 39 39 LYS H H 39 9.560 9.560 8.574 0.986 18833 2300 1 5 . 1 1 40 40 ALA N N 40 118.155 118.155 122.277 -4.122 18833 2301 1 5 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.607 -0.102 18833 2302 1 5 . 1 1 40 40 ALA C C 40 174.639 174.639 175.067 -0.428 18833 2303 1 5 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.527 0.268 18833 2304 1 5 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.779 0.701 18833 2305 1 5 . 1 1 40 40 ALA H H 40 7.498 7.498 7.598 -0.100 18833 2306 1 5 . 1 1 41 41 VAL N N 41 121.634 121.634 121.325 0.309 18833 2307 1 5 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.687 -0.278 18833 2308 1 5 . 1 1 41 41 VAL C C 41 175.829 175.829 175.492 0.337 18833 2309 1 5 . 1 1 41 41 VAL CA C 41 61.304 61.304 61.182 0.122 18833 2310 1 5 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.325 -2.130 18833 2311 1 5 . 1 1 41 41 VAL H H 41 8.634 8.634 8.298 0.336 18833 2312 1 5 . 1 1 42 42 ILE N N 42 128.094 128.094 128.745 -0.651 18833 2313 1 5 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.288 -0.142 18833 2314 1 5 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.172 -0.526 18833 2315 1 5 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.306 -0.301 18833 2316 1 5 . 1 1 42 42 ILE H H 42 7.944 7.944 8.815 -0.871 18833 2317 1 5 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.391 0.060 18833 2318 1 5 . 1 1 43 43 PRO C C 43 177.234 177.234 176.876 0.358 18833 2319 1 5 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.416 0.781 18833 2320 1 5 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.173 0.672 18833 2321 1 5 . 1 1 44 44 GLN N N 44 116.825 116.825 118.669 -1.844 18833 2322 1 5 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.956 -0.107 18833 2323 1 5 . 1 1 44 44 GLN C C 44 175.752 175.752 175.002 0.750 18833 2324 1 5 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.699 1.433 18833 2325 1 5 . 1 1 44 44 GLN CB C 44 26.474 26.474 27.822 -1.348 18833 2326 1 5 . 1 1 44 44 GLN H H 44 9.345 9.345 9.417 -0.072 18833 2327 1 5 . 1 1 45 45 GLY N N 45 106.186 106.186 105.248 0.938 18833 2328 1 5 . 1 1 45 45 GLY C C 45 174.374 174.374 173.833 0.541 18833 2329 1 5 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.322 0.402 18833 2330 1 5 . 1 1 45 45 GLY H H 45 7.887 7.887 7.947 -0.060 18833 2331 1 5 . 1 1 46 46 ALA N N 46 120.843 120.843 123.646 -2.803 18833 2332 1 5 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.986 0.073 18833 2333 1 5 . 1 1 46 46 ALA C C 46 180.628 180.628 179.284 1.344 18833 2334 1 5 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.206 -0.171 18833 2335 1 5 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.798 -0.176 18833 2336 1 5 . 1 1 46 46 ALA H H 46 8.907 8.907 8.239 0.668 18833 2337 1 5 . 1 1 47 47 ALA N N 47 118.721 118.721 121.165 -2.444 18833 2338 1 5 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.933 0.138 18833 2339 1 5 . 1 1 47 47 ALA C C 47 180.589 180.589 179.406 1.183 18833 2340 1 5 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.395 -0.549 18833 2341 1 5 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.774 0.995 18833 2342 1 5 . 1 1 47 47 ALA H H 47 7.856 7.856 7.738 0.118 18833 2343 1 5 . 1 1 48 48 GLU N N 48 124.373 124.373 119.135 5.238 18833 2344 1 5 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.971 -0.162 18833 2345 1 5 . 1 1 48 48 GLU C C 48 178.120 178.120 179.009 -0.889 18833 2346 1 5 . 1 1 48 48 GLU CA C 48 59.857 59.857 59.149 0.708 18833 2347 1 5 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.469 0.150 18833 2348 1 5 . 1 1 48 48 GLU H H 48 9.195 9.195 8.659 0.536 18833 2349 1 5 . 1 1 49 49 SER N N 49 113.220 113.220 114.277 -1.057 18833 2350 1 5 . 1 1 49 49 SER HA H 49 4.099 4.099 4.199 -0.100 18833 2351 1 5 . 1 1 49 49 SER C C 49 175.707 175.707 176.492 -0.785 18833 2352 1 5 . 1 1 49 49 SER CA C 49 61.168 61.168 60.676 0.492 18833 2353 1 5 . 1 1 49 49 SER CB C 49 62.775 62.775 63.326 -0.551 18833 2354 1 5 . 1 1 49 49 SER H H 49 8.020 8.020 7.998 0.022 18833 2355 1 5 . 1 1 50 50 ASP N N 50 120.022 120.022 119.975 0.047 18833 2356 1 5 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.478 -0.098 18833 2357 1 5 . 1 1 50 50 ASP C C 50 177.650 177.650 177.624 0.026 18833 2358 1 5 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.520 1.677 18833 2359 1 5 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.587 2.647 18833 2360 1 5 . 1 1 50 50 ASP H H 50 7.579 7.579 7.875 -0.296 18833 2361 1 5 . 1 1 51 51 GLY N N 51 102.979 102.979 106.456 -3.477 18833 2362 1 5 . 1 1 51 51 GLY C C 51 175.026 175.026 175.330 -0.304 18833 2363 1 5 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.461 0.885 18833 2364 1 5 . 1 1 51 51 GLY H H 51 7.364 7.364 8.354 -0.990 18833 2365 1 5 . 1 1 52 52 ARG N N 52 117.501 117.501 122.152 -4.651 18833 2366 1 5 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.297 0.011 18833 2367 1 5 . 1 1 52 52 ARG C C 52 175.898 175.898 176.515 -0.617 18833 2368 1 5 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.361 0.543 18833 2369 1 5 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.914 2.085 18833 2370 1 5 . 1 1 52 52 ARG H H 52 7.958 7.958 7.779 0.179 18833 2371 1 5 . 1 1 53 53 ILE N N 53 120.028 120.028 119.466 0.562 18833 2372 1 5 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.167 0.065 18833 2373 1 5 . 1 1 53 53 ILE C C 53 173.773 173.773 174.287 -0.514 18833 2374 1 5 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.995 0.434 18833 2375 1 5 . 1 1 53 53 ILE CB C 53 39.699 39.699 37.897 1.802 18833 2376 1 5 . 1 1 53 53 ILE H H 53 8.223 8.223 7.969 0.254 18833 2377 1 5 . 1 1 54 54 HIS N N 54 123.681 123.681 127.900 -4.219 18833 2378 1 5 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.837 -0.036 18833 2379 1 5 . 1 1 54 54 HIS C C 54 173.826 173.826 174.202 -0.376 18833 2380 1 5 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.341 0.544 18833 2381 1 5 . 1 1 54 54 HIS CB C 54 33.499 33.499 34.028 -0.529 18833 2382 1 5 . 1 1 54 54 HIS H H 54 9.073 9.073 9.532 -0.459 18833 2383 1 5 . 1 1 55 55 LYS N N 55 120.814 120.814 120.552 0.262 18833 2384 1 5 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.987 -0.377 18833 2385 1 5 . 1 1 55 55 LYS C C 55 177.014 177.014 177.182 -0.168 18833 2386 1 5 . 1 1 55 55 LYS CA C 55 58.433 58.433 58.029 0.404 18833 2387 1 5 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.222 0.138 18833 2388 1 5 . 1 1 55 55 LYS H H 55 8.715 8.715 7.868 0.847 18833 2389 1 5 . 1 1 56 56 GLY N N 56 114.423 114.423 115.629 -1.206 18833 2390 1 5 . 1 1 56 56 GLY C C 56 174.469 174.469 174.508 -0.039 18833 2391 1 5 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.143 -0.305 18833 2392 1 5 . 1 1 56 56 GLY H H 56 9.128 9.128 8.748 0.380 18833 2393 1 5 . 1 1 57 57 ASP N N 57 121.735 121.735 124.095 -2.360 18833 2394 1 5 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.816 0.067 18833 2395 1 5 . 1 1 57 57 ASP C C 57 174.808 174.808 175.029 -0.221 18833 2396 1 5 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.901 -0.074 18833 2397 1 5 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.092 -1.037 18833 2398 1 5 . 1 1 57 57 ASP H H 57 8.033 8.033 7.849 0.184 18833 2399 1 5 . 1 1 58 58 ARG N N 58 123.530 123.530 116.899 6.631 18833 2400 1 5 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.886 -0.248 18833 2401 1 5 . 1 1 58 58 ARG C C 58 175.641 175.641 174.809 0.832 18833 2402 1 5 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.377 0.323 18833 2403 1 5 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.020 1.611 18833 2404 1 5 . 1 1 58 58 ARG H H 58 9.097 9.097 8.490 0.607 18833 2405 1 5 . 1 1 59 59 VAL N N 59 126.202 126.202 120.621 5.581 18833 2406 1 5 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.439 -0.534 18833 2407 1 5 . 1 1 59 59 VAL C C 59 174.515 174.515 175.291 -0.776 18833 2408 1 5 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.387 0.765 18833 2409 1 5 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.192 -2.118 18833 2410 1 5 . 1 1 59 59 VAL H H 59 8.898 8.898 8.609 0.289 18833 2411 1 5 . 1 1 60 60 LEU N N 60 127.209 127.209 121.120 6.089 18833 2412 1 5 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.856 -0.536 18833 2413 1 5 . 1 1 60 60 LEU C C 60 178.352 178.352 176.147 2.205 18833 2414 1 5 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.047 1.114 18833 2415 1 5 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.167 -0.542 18833 2416 1 5 . 1 1 60 60 LEU H H 60 9.193 9.193 8.755 0.438 18833 2417 1 5 . 1 1 61 61 ALA N N 61 118.965 118.965 119.708 -0.743 18833 2418 1 5 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.357 -0.418 18833 2419 1 5 . 1 1 61 61 ALA C C 61 175.332 175.332 175.446 -0.114 18833 2420 1 5 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.146 2.146 18833 2421 1 5 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.810 -0.724 18833 2422 1 5 . 1 1 61 61 ALA H H 61 7.759 7.759 7.451 0.308 18833 2423 1 5 . 1 1 62 62 VAL N N 62 119.695 119.695 119.127 0.568 18833 2424 1 5 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.558 -0.074 18833 2425 1 5 . 1 1 62 62 VAL C C 62 175.538 175.538 175.932 -0.394 18833 2426 1 5 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.438 -0.901 18833 2427 1 5 . 1 1 62 62 VAL CB C 62 33.961 33.961 33.948 0.013 18833 2428 1 5 . 1 1 62 62 VAL H H 62 8.218 8.218 7.935 0.283 18833 2429 1 5 . 1 1 63 63 ASN N N 63 128.940 128.940 128.064 0.876 18833 2430 1 5 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.360 0.211 18833 2431 1 5 . 1 1 63 63 ASN C C 63 175.155 175.155 175.577 -0.422 18833 2432 1 5 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.307 0.152 18833 2433 1 5 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.178 -1.259 18833 2434 1 5 . 1 1 63 63 ASN H H 63 10.387 10.387 9.400 0.987 18833 2435 1 5 . 1 1 64 64 GLY N N 64 103.432 103.432 102.070 1.362 18833 2436 1 5 . 1 1 64 64 GLY C C 64 173.902 173.902 174.109 -0.207 18833 2437 1 5 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.067 0.130 18833 2438 1 5 . 1 1 64 64 GLY H H 64 9.094 9.094 8.576 0.518 18833 2439 1 5 . 1 1 65 65 VAL N N 65 123.418 123.418 121.862 1.556 18833 2440 1 5 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.129 -0.153 18833 2441 1 5 . 1 1 65 65 VAL C C 65 175.675 175.675 175.440 0.235 18833 2442 1 5 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.500 0.562 18833 2443 1 5 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.677 -0.848 18833 2444 1 5 . 1 1 65 65 VAL H H 65 7.948 7.948 7.700 0.248 18833 2445 1 5 . 1 1 66 66 SER N N 66 121.122 121.122 124.290 -3.168 18833 2446 1 5 . 1 1 66 66 SER HA H 66 4.365 4.365 4.426 -0.061 18833 2447 1 5 . 1 1 66 66 SER C C 66 176.402 176.402 174.180 2.222 18833 2448 1 5 . 1 1 66 66 SER CA C 66 58.310 58.310 58.984 -0.674 18833 2449 1 5 . 1 1 66 66 SER CB C 66 63.651 63.651 63.169 0.482 18833 2450 1 5 . 1 1 66 66 SER H H 66 8.671 8.671 8.756 -0.085 18833 2451 1 5 . 1 1 67 67 LEU N N 67 125.351 125.351 125.742 -0.391 18833 2452 1 5 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.334 0.106 18833 2453 1 5 . 1 1 67 67 LEU C C 67 176.359 176.359 177.126 -0.767 18833 2454 1 5 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.572 -0.705 18833 2455 1 5 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.319 -0.338 18833 2456 1 5 . 1 1 67 67 LEU H H 67 8.205 8.205 7.943 0.262 18833 2457 1 5 . 1 1 68 68 GLU N N 68 123.211 123.211 118.490 4.721 18833 2458 1 5 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.116 -0.070 18833 2459 1 5 . 1 1 68 68 GLU C C 68 177.820 177.820 177.785 0.035 18833 2460 1 5 . 1 1 68 68 GLU CA C 68 58.535 58.535 58.232 0.303 18833 2461 1 5 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.340 -0.261 18833 2462 1 5 . 1 1 68 68 GLU H H 68 8.300 8.300 7.983 0.317 18833 2463 1 5 . 1 1 69 69 GLY N N 69 115.507 115.507 111.375 4.132 18833 2464 1 5 . 1 1 69 69 GLY C C 69 173.652 173.652 174.439 -0.787 18833 2465 1 5 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.008 0.339 18833 2466 1 5 . 1 1 69 69 GLY H H 69 8.945 8.945 8.950 -0.005 18833 2467 1 5 . 1 1 70 70 ALA N N 70 122.308 122.308 124.512 -2.204 18833 2468 1 5 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.447 0.043 18833 2469 1 5 . 1 1 70 70 ALA C C 70 179.583 179.583 176.349 3.234 18833 2470 1 5 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.995 0.489 18833 2471 1 5 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.859 -0.271 18833 2472 1 5 . 1 1 70 70 ALA H H 70 7.882 7.882 7.600 0.282 18833 2473 1 5 . 1 1 71 71 THR N N 71 111.173 111.173 110.899 0.274 18833 2474 1 5 . 1 1 71 71 THR HA H 71 4.526 4.526 4.394 0.132 18833 2475 1 5 . 1 1 71 71 THR C C 71 174.660 174.660 175.586 -0.926 18833 2476 1 5 . 1 1 71 71 THR CA C 71 60.732 60.732 60.661 0.071 18833 2477 1 5 . 1 1 71 71 THR CB C 71 71.196 71.196 70.665 0.531 18833 2478 1 5 . 1 1 71 71 THR H H 71 8.185 8.185 8.049 0.136 18833 2479 1 5 . 1 1 72 72 HIS N N 72 121.107 121.107 119.440 1.667 18833 2480 1 5 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.328 -0.327 18833 2481 1 5 . 1 1 72 72 HIS C C 72 176.702 176.702 177.015 -0.313 18833 2482 1 5 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.389 2.063 18833 2483 1 5 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.256 1.053 18833 2484 1 5 . 1 1 72 72 HIS H H 72 9.077 9.077 8.814 0.263 18833 2485 1 5 . 1 1 73 73 LYS N N 73 116.672 116.672 117.633 -0.961 18833 2486 1 5 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.899 -0.143 18833 2487 1 5 . 1 1 73 73 LYS C C 73 178.603 178.603 178.626 -0.023 18833 2488 1 5 . 1 1 73 73 LYS CA C 73 60.022 60.022 58.835 1.187 18833 2489 1 5 . 1 1 73 73 LYS CB C 73 32.460 32.460 30.817 1.643 18833 2490 1 5 . 1 1 73 73 LYS H H 73 8.473 8.473 7.653 0.820 18833 2491 1 5 . 1 1 74 74 GLN N N 74 116.558 116.558 120.907 -4.349 18833 2492 1 5 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.046 -0.114 18833 2493 1 5 . 1 1 74 74 GLN C C 74 179.891 179.891 178.046 1.845 18833 2494 1 5 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.385 0.187 18833 2495 1 5 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.056 0.269 18833 2496 1 5 . 1 1 74 74 GLN H H 74 7.568 7.568 7.533 0.035 18833 2497 1 5 . 1 1 75 75 ALA N N 75 123.337 123.337 121.591 1.746 18833 2498 1 5 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.081 -0.287 18833 2499 1 5 . 1 1 75 75 ALA C C 75 178.309 178.309 178.935 -0.626 18833 2500 1 5 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.247 0.421 18833 2501 1 5 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.137 1.231 18833 2502 1 5 . 1 1 75 75 ALA H H 75 8.320 8.320 7.711 0.609 18833 2503 1 5 . 1 1 76 76 VAL N N 76 118.172 118.172 118.954 -0.782 18833 2504 1 5 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.713 -0.526 18833 2505 1 5 . 1 1 76 76 VAL C C 76 179.705 179.705 177.594 2.111 18833 2506 1 5 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.075 1.077 18833 2507 1 5 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.562 -0.387 18833 2508 1 5 . 1 1 76 76 VAL H H 76 8.122 8.122 7.206 0.916 18833 2509 1 5 . 1 1 77 77 CYS N N 77 116.979 116.979 117.948 -0.969 18833 2510 1 5 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.072 0.129 18833 2511 1 5 . 1 1 77 77 CYS C C 77 177.004 177.004 177.628 -0.624 18833 2512 1 5 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.044 -1.152 18833 2513 1 5 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.407 11.136 18833 2514 1 5 . 1 1 77 77 CYS H H 77 8.327 8.327 8.456 -0.129 18833 2515 1 5 . 1 1 78 78 THR N N 78 117.521 117.521 116.773 0.748 18833 2516 1 5 . 1 1 78 78 THR HA H 78 3.867 3.867 4.054 -0.187 18833 2517 1 5 . 1 1 78 78 THR C C 78 176.306 176.306 176.585 -0.279 18833 2518 1 5 . 1 1 78 78 THR CA C 78 67.197 67.197 66.459 0.738 18833 2519 1 5 . 1 1 78 78 THR CB C 78 68.145 68.145 68.590 -0.445 18833 2520 1 5 . 1 1 78 78 THR H H 78 8.259 8.259 7.876 0.383 18833 2521 1 5 . 1 1 79 79 LEU N N 79 119.714 119.714 122.444 -2.730 18833 2522 1 5 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.861 -0.025 18833 2523 1 5 . 1 1 79 79 LEU CA C 79 57.950 57.950 58.291 -0.341 18833 2524 1 5 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.160 0.468 18833 2525 1 5 . 1 1 79 79 LEU H H 79 7.748 7.748 7.579 0.169 18833 2526 1 5 . 1 1 80 80 ARG N N 80 119.613 119.613 116.310 3.303 18833 2527 1 5 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.951 0.164 18833 2528 1 5 . 1 1 80 80 ARG C C 80 177.905 177.905 178.137 -0.232 18833 2529 1 5 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.441 -0.979 18833 2530 1 5 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.819 0.951 18833 2531 1 5 . 1 1 80 80 ARG H H 80 7.944 7.944 7.906 0.038 18833 2532 1 5 . 1 1 81 81 ASN N N 81 119.257 119.257 115.093 4.164 18833 2533 1 5 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.798 0.163 18833 2534 1 5 . 1 1 81 81 ASN C C 81 175.030 175.030 175.427 -0.397 18833 2535 1 5 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.173 -0.367 18833 2536 1 5 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.198 -1.744 18833 2537 1 5 . 1 1 81 81 ASN H H 81 7.843 7.843 7.684 0.159 18833 2538 1 5 . 1 1 82 82 THR N N 82 109.817 109.817 114.372 -4.555 18833 2539 1 5 . 1 1 82 82 THR HA H 82 4.391 4.391 4.468 -0.077 18833 2540 1 5 . 1 1 82 82 THR C C 82 175.114 175.114 175.566 -0.452 18833 2541 1 5 . 1 1 82 82 THR CA C 82 60.155 60.155 62.151 -1.996 18833 2542 1 5 . 1 1 82 82 THR CB C 82 72.327 72.327 69.876 2.451 18833 2543 1 5 . 1 1 82 82 THR H H 82 7.514 7.514 7.719 -0.205 18833 2544 1 5 . 1 1 83 83 GLY N N 83 109.536 109.536 107.596 1.940 18833 2545 1 5 . 1 1 83 83 GLY C C 83 173.492 173.492 175.109 -1.617 18833 2546 1 5 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.407 -0.282 18833 2547 1 5 . 1 1 83 83 GLY H H 83 8.406 8.406 8.458 -0.052 18833 2548 1 5 . 1 1 84 84 GLN N N 84 117.293 117.293 118.227 -0.934 18833 2549 1 5 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.210 -0.242 18833 2550 1 5 . 1 1 84 84 GLN C C 84 175.351 175.351 175.612 -0.261 18833 2551 1 5 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.969 0.543 18833 2552 1 5 . 1 1 84 84 GLN CB C 84 29.023 29.023 28.732 0.291 18833 2553 1 5 . 1 1 84 84 GLN H H 84 8.218 8.218 8.532 -0.314 18833 2554 1 5 . 1 1 85 85 VAL N N 85 116.238 116.238 120.065 -3.827 18833 2555 1 5 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.682 0.010 18833 2556 1 5 . 1 1 85 85 VAL C C 85 175.864 175.864 175.733 0.131 18833 2557 1 5 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.269 0.073 18833 2558 1 5 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.615 -0.241 18833 2559 1 5 . 1 1 85 85 VAL H H 85 7.715 7.715 7.700 0.015 18833 2560 1 5 . 1 1 86 86 VAL N N 86 128.273 128.273 126.388 1.885 18833 2561 1 5 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.487 0.037 18833 2562 1 5 . 1 1 86 86 VAL C C 86 173.320 173.320 174.852 -1.532 18833 2563 1 5 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.700 0.086 18833 2564 1 5 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.551 -0.446 18833 2565 1 5 . 1 1 86 86 VAL H H 86 9.034 9.034 8.705 0.329 18833 2566 1 5 . 1 1 87 87 HIS N N 87 126.224 126.224 125.137 1.087 18833 2567 1 5 . 1 1 87 87 HIS HA H 87 5.037 5.037 5.018 0.019 18833 2568 1 5 . 1 1 87 87 HIS C C 87 174.442 174.442 174.415 0.027 18833 2569 1 5 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.220 0.538 18833 2570 1 5 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.550 0.951 18833 2571 1 5 . 1 1 87 87 HIS H H 87 8.761 8.761 8.827 -0.066 18833 2572 1 5 . 1 1 88 88 LEU N N 88 126.604 126.604 125.499 1.105 18833 2573 1 5 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.767 0.202 18833 2574 1 5 . 1 1 88 88 LEU C C 88 173.306 173.306 174.675 -1.369 18833 2575 1 5 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.704 -0.055 18833 2576 1 5 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.691 0.597 18833 2577 1 5 . 1 1 88 88 LEU H H 88 9.045 9.045 9.262 -0.217 18833 2578 1 5 . 1 1 89 89 LEU N N 89 124.501 124.501 125.196 -0.695 18833 2579 1 5 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.939 -0.218 18833 2580 1 5 . 1 1 89 89 LEU C C 89 175.180 175.180 174.423 0.757 18833 2581 1 5 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.502 0.236 18833 2582 1 5 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.500 0.866 18833 2583 1 5 . 1 1 89 89 LEU H H 89 7.977 7.977 8.645 -0.668 18833 2584 1 5 . 1 1 90 90 LEU N N 90 127.520 127.520 126.065 1.455 18833 2585 1 5 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.620 0.669 18833 2586 1 5 . 1 1 90 90 LEU C C 90 173.616 173.616 174.176 -0.560 18833 2587 1 5 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.795 0.360 18833 2588 1 5 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.604 -0.584 18833 2589 1 5 . 1 1 90 90 LEU H H 90 8.896 8.896 8.621 0.275 18833 2590 1 5 . 1 1 91 91 GLU N N 91 118.964 118.964 120.325 -1.361 18833 2591 1 5 . 1 1 91 91 GLU HA H 91 5.086 5.086 4.821 0.265 18833 2592 1 5 . 1 1 91 91 GLU C C 91 176.652 176.652 175.442 1.210 18833 2593 1 5 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.180 -0.362 18833 2594 1 5 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.134 0.772 18833 2595 1 5 . 1 1 91 91 GLU H H 91 8.825 8.825 8.039 0.786 18833 2596 1 5 . 1 1 92 92 LYS N N 92 128.805 128.805 125.994 2.811 18833 2597 1 5 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.299 0.070 18833 2598 1 5 . 1 1 92 92 LYS C C 92 178.011 178.011 176.330 1.681 18833 2599 1 5 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.399 -1.059 18833 2600 1 5 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.174 -1.105 18833 2601 1 5 . 1 1 92 92 LYS H H 92 9.333 9.333 8.848 0.485 18833 2602 1 5 . 1 1 93 93 GLY N N 93 117.774 117.774 111.792 5.982 18833 2603 1 5 . 1 1 93 93 GLY C C 93 173.157 173.157 172.539 0.618 18833 2604 1 5 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.795 0.380 18833 2605 1 5 . 1 1 93 93 GLY H H 93 9.735 9.735 8.622 1.113 18833 2606 1 5 . 1 1 94 94 GLN N N 94 116.912 116.912 118.486 -1.574 18833 2607 1 5 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.508 -0.244 18833 2608 1 5 . 1 1 94 94 GLN C C 94 175.955 175.955 175.614 0.341 18833 2609 1 5 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.325 0.176 18833 2610 1 5 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.388 0.330 18833 2611 1 5 . 1 1 94 94 GLN H H 94 8.243 8.243 7.981 0.262 18833 2612 1 5 . 1 1 95 95 SER N N 95 118.157 118.157 120.425 -2.268 18833 2613 1 5 . 1 1 95 95 SER HA H 95 4.662 4.662 4.821 -0.159 18833 2614 1 5 . 1 1 95 95 SER CA C 95 56.615 56.615 55.743 0.872 18833 2615 1 5 . 1 1 95 95 SER CB C 95 63.203 63.203 63.449 -0.246 18833 2616 1 5 . 1 1 95 95 SER H H 95 8.396 8.396 8.548 -0.152 18833 2617 1 5 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.663 -0.186 18833 2618 1 5 . 1 1 96 96 PRO C C 96 176.303 176.303 175.715 0.588 18833 2619 1 5 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.654 0.860 18833 2620 1 5 . 1 1 96 96 PRO CB C 96 31.929 31.929 30.278 1.651 18833 2621 1 6 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.554 -0.082 18833 2622 1 6 . 1 1 2 2 PRO C C 2 175.867 175.867 175.926 -0.059 18833 2623 1 6 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.293 0.547 18833 2624 1 6 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.406 -0.093 18833 2625 1 6 . 1 1 3 3 LYS N N 3 124.698 124.698 119.094 5.604 18833 2626 1 6 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.561 0.046 18833 2627 1 6 . 1 1 3 3 LYS CA C 3 53.607 53.607 53.680 -0.073 18833 2628 1 6 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.135 -0.548 18833 2629 1 6 . 1 1 3 3 LYS H H 3 8.933 8.933 8.212 0.721 18833 2630 1 6 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.193 -0.252 18833 2631 1 6 . 1 1 4 4 PRO C C 4 177.504 177.504 177.409 0.095 18833 2632 1 6 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.720 0.792 18833 2633 1 6 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.215 0.455 18833 2634 1 6 . 1 1 5 5 GLY N N 5 113.652 113.652 112.559 1.093 18833 2635 1 6 . 1 1 5 5 GLY C C 5 174.146 174.146 173.765 0.381 18833 2636 1 6 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.933 0.139 18833 2637 1 6 . 1 1 5 5 GLY H H 5 9.014 9.014 8.315 0.699 18833 2638 1 6 . 1 1 6 6 ASP N N 6 121.766 121.766 120.715 1.051 18833 2639 1 6 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.825 -0.154 18833 2640 1 6 . 1 1 6 6 ASP C C 6 175.762 175.762 175.258 0.504 18833 2641 1 6 . 1 1 6 6 ASP CA C 6 54.899 54.899 53.405 1.494 18833 2642 1 6 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.836 -1.430 18833 2643 1 6 . 1 1 6 6 ASP H H 6 8.489 8.489 7.710 0.779 18833 2644 1 6 . 1 1 7 7 ILE N N 7 121.794 121.794 124.509 -2.715 18833 2645 1 6 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.908 0.425 18833 2646 1 6 . 1 1 7 7 ILE C C 7 176.854 176.854 175.949 0.905 18833 2647 1 6 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.665 -1.033 18833 2648 1 6 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.996 -0.781 18833 2649 1 6 . 1 1 7 7 ILE H H 7 8.368 8.368 8.525 -0.157 18833 2650 1 6 . 1 1 8 8 PHE N N 8 125.873 125.873 125.553 0.320 18833 2651 1 6 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.100 -0.036 18833 2652 1 6 . 1 1 8 8 PHE C C 8 171.167 171.167 173.363 -2.196 18833 2653 1 6 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.535 0.015 18833 2654 1 6 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.744 -0.411 18833 2655 1 6 . 1 1 8 8 PHE H H 8 9.498 9.498 9.156 0.342 18833 2656 1 6 . 1 1 9 9 GLU N N 9 119.065 119.065 121.230 -2.165 18833 2657 1 6 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.718 0.497 18833 2658 1 6 . 1 1 9 9 GLU C C 9 176.019 176.019 175.494 0.525 18833 2659 1 6 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.392 -1.403 18833 2660 1 6 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.749 1.662 18833 2661 1 6 . 1 1 9 9 GLU H H 9 8.502 8.502 8.498 0.004 18833 2662 1 6 . 1 1 10 10 VAL N N 10 120.078 120.078 122.893 -2.815 18833 2663 1 6 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.331 -0.196 18833 2664 1 6 . 1 1 10 10 VAL C C 10 173.177 173.177 174.009 -0.832 18833 2665 1 6 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.803 0.310 18833 2666 1 6 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.292 1.489 18833 2667 1 6 . 1 1 10 10 VAL H H 10 8.581 8.581 9.016 -0.435 18833 2668 1 6 . 1 1 11 11 GLU N N 11 126.482 126.482 127.400 -0.918 18833 2669 1 6 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.033 -0.034 18833 2670 1 6 . 1 1 11 11 GLU C C 11 174.618 174.618 174.699 -0.081 18833 2671 1 6 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.145 0.669 18833 2672 1 6 . 1 1 11 11 GLU CB C 11 31.008 31.008 29.933 1.075 18833 2673 1 6 . 1 1 11 11 GLU H H 11 7.810 7.810 8.609 -0.799 18833 2674 1 6 . 1 1 12 12 LEU N N 12 126.093 126.093 126.811 -0.718 18833 2675 1 6 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.727 -0.073 18833 2676 1 6 . 1 1 12 12 LEU C C 12 174.013 174.013 175.311 -1.298 18833 2677 1 6 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.086 0.088 18833 2678 1 6 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.647 1.219 18833 2679 1 6 . 1 1 12 12 LEU H H 12 8.888 8.888 7.940 0.948 18833 2680 1 6 . 1 1 13 13 ALA N N 13 126.137 126.137 128.631 -2.494 18833 2681 1 6 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.765 0.336 18833 2682 1 6 . 1 1 13 13 ALA C C 13 177.290 177.290 176.734 0.556 18833 2683 1 6 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.347 -1.464 18833 2684 1 6 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.172 -0.763 18833 2685 1 6 . 1 1 13 13 ALA H H 13 8.494 8.494 8.477 0.017 18833 2686 1 6 . 1 1 14 14 LYS N N 14 120.270 120.270 121.415 -1.145 18833 2687 1 6 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.468 -0.670 18833 2688 1 6 . 1 1 14 14 LYS C C 14 176.313 176.313 175.989 0.324 18833 2689 1 6 . 1 1 14 14 LYS CA C 14 57.798 57.798 54.329 3.469 18833 2690 1 6 . 1 1 14 14 LYS CB C 14 33.913 33.913 32.194 1.719 18833 2691 1 6 . 1 1 14 14 LYS H H 14 8.486 8.486 8.583 -0.097 18833 2692 1 6 . 1 1 15 15 ASN N N 15 117.746 117.746 119.678 -1.932 18833 2693 1 6 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.627 0.197 18833 2694 1 6 . 1 1 15 15 ASN CA C 15 52.779 52.779 53.540 -0.761 18833 2695 1 6 . 1 1 15 15 ASN CB C 15 40.122 40.122 37.764 2.358 18833 2696 1 6 . 1 1 15 15 ASN H H 15 8.139 8.139 8.238 -0.099 18833 2697 1 6 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.701 -0.400 18833 2698 1 6 . 1 1 16 16 ASP C C 16 175.367 175.367 174.526 0.841 18833 2699 1 6 . 1 1 16 16 ASP CA C 16 55.452 55.452 53.830 1.623 18833 2700 1 6 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.971 -2.515 18833 2701 1 6 . 1 1 17 17 ASN N N 17 111.793 111.793 119.547 -7.754 18833 2702 1 6 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.712 -0.332 18833 2703 1 6 . 1 1 17 17 ASN C C 17 174.599 174.599 175.578 -0.979 18833 2704 1 6 . 1 1 17 17 ASN CA C 17 53.793 53.793 54.033 -0.240 18833 2705 1 6 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.691 -0.975 18833 2706 1 6 . 1 1 17 17 ASN H H 17 8.698 8.698 8.548 0.150 18833 2707 1 6 . 1 1 18 18 SER N N 18 112.321 112.321 116.947 -4.626 18833 2708 1 6 . 1 1 18 18 SER HA H 18 4.827 4.827 4.550 0.277 18833 2709 1 6 . 1 1 18 18 SER CA C 18 56.795 56.795 57.856 -1.061 18833 2710 1 6 . 1 1 18 18 SER CB C 18 64.855 64.855 64.349 0.506 18833 2711 1 6 . 1 1 18 18 SER H H 18 7.989 7.989 7.847 0.142 18833 2712 1 6 . 1 1 19 19 LEU N N 19 127.097 127.097 123.841 3.256 18833 2713 1 6 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.239 -0.073 18833 2714 1 6 . 1 1 19 19 LEU C C 19 177.329 177.329 177.975 -0.646 18833 2715 1 6 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.554 -0.041 18833 2716 1 6 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.540 0.779 18833 2717 1 6 . 1 1 19 19 LEU H H 19 9.247 9.247 8.646 0.601 18833 2718 1 6 . 1 1 20 20 GLY N N 20 104.340 104.340 104.731 -0.391 18833 2719 1 6 . 1 1 20 20 GLY C C 20 175.984 175.984 173.853 2.131 18833 2720 1 6 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.018 1.781 18833 2721 1 6 . 1 1 20 20 GLY H H 20 8.664 8.664 8.333 0.331 18833 2722 1 6 . 1 1 21 21 ILE N N 21 115.279 115.279 118.151 -2.872 18833 2723 1 6 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.113 -0.117 18833 2724 1 6 . 1 1 21 21 ILE C C 21 175.972 175.972 175.407 0.565 18833 2725 1 6 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.794 -0.013 18833 2726 1 6 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.161 1.461 18833 2727 1 6 . 1 1 21 21 ILE H H 21 7.614 7.614 7.728 -0.114 18833 2728 1 6 . 1 1 22 22 CYS N N 22 122.210 122.210 121.792 0.418 18833 2729 1 6 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.900 0.371 18833 2730 1 6 . 1 1 22 22 CYS C C 22 175.904 175.904 172.938 2.966 18833 2731 1 6 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.207 -5.262 18833 2732 1 6 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.794 4.398 18833 2733 1 6 . 1 1 22 22 CYS H H 22 8.506 8.506 8.652 -0.146 18833 2734 1 6 . 1 1 23 23 VAL N N 23 117.739 117.739 115.481 2.258 18833 2735 1 6 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.306 0.161 18833 2736 1 6 . 1 1 23 23 VAL C C 23 173.821 173.821 174.279 -0.458 18833 2737 1 6 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.054 -0.235 18833 2738 1 6 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.428 0.327 18833 2739 1 6 . 1 1 23 23 VAL H H 23 9.203 9.203 8.442 0.761 18833 2740 1 6 . 1 1 24 24 THR N N 24 114.753 114.753 114.477 0.276 18833 2741 1 6 . 1 1 24 24 THR HA H 24 4.649 4.649 4.669 -0.020 18833 2742 1 6 . 1 1 24 24 THR C C 24 171.786 171.786 173.007 -1.221 18833 2743 1 6 . 1 1 24 24 THR CA C 24 59.529 59.529 59.729 -0.200 18833 2744 1 6 . 1 1 24 24 THR CB C 24 70.563 70.563 70.821 -0.258 18833 2745 1 6 . 1 1 24 24 THR H H 24 9.237 9.237 8.812 0.425 18833 2746 1 6 . 1 1 25 25 GLY N N 25 111.927 111.927 109.940 1.987 18833 2747 1 6 . 1 1 25 25 GLY C C 25 174.099 174.099 172.937 1.162 18833 2748 1 6 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.942 -0.330 18833 2749 1 6 . 1 1 25 25 GLY H H 25 8.291 8.291 8.342 -0.051 18833 2750 1 6 . 1 1 26 26 GLY N N 26 107.140 107.140 110.240 -3.100 18833 2751 1 6 . 1 1 26 26 GLY C C 26 176.180 176.180 175.017 1.163 18833 2752 1 6 . 1 1 26 26 GLY CA C 26 43.803 43.803 46.221 -2.418 18833 2753 1 6 . 1 1 26 26 GLY H H 26 7.545 7.545 8.316 -0.771 18833 2754 1 6 . 1 1 27 27 VAL N N 27 116.837 116.837 120.614 -3.777 18833 2755 1 6 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.916 0.210 18833 2756 1 6 . 1 1 27 27 VAL C C 27 175.764 175.764 175.839 -0.075 18833 2757 1 6 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.019 1.776 18833 2758 1 6 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.263 1.720 18833 2759 1 6 . 1 1 27 27 VAL H H 27 8.091 8.091 8.229 -0.138 18833 2760 1 6 . 1 1 28 28 ASN N N 28 117.997 117.997 117.080 0.917 18833 2761 1 6 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.479 0.330 18833 2762 1 6 . 1 1 28 28 ASN C C 28 174.860 174.860 174.427 0.433 18833 2763 1 6 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.708 -0.253 18833 2764 1 6 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.424 0.323 18833 2765 1 6 . 1 1 28 28 ASN H H 28 8.795 8.795 8.185 0.610 18833 2766 1 6 . 1 1 29 29 THR N N 29 111.381 111.381 113.940 -2.559 18833 2767 1 6 . 1 1 29 29 THR HA H 29 4.689 4.689 4.574 0.115 18833 2768 1 6 . 1 1 29 29 THR CA C 29 61.526 61.526 60.758 0.768 18833 2769 1 6 . 1 1 29 29 THR CB C 29 70.889 70.889 70.039 0.850 18833 2770 1 6 . 1 1 29 29 THR H H 29 7.858 7.858 8.108 -0.250 18833 2771 1 6 . 1 1 30 30 SER N N 30 114.070 114.070 115.729 -1.659 18833 2772 1 6 . 1 1 30 30 SER HA H 30 4.535 4.535 4.163 0.372 18833 2773 1 6 . 1 1 30 30 SER C C 30 174.879 174.879 174.268 0.611 18833 2774 1 6 . 1 1 30 30 SER CA C 30 58.380 58.380 60.170 -1.790 18833 2775 1 6 . 1 1 30 30 SER CB C 30 63.532 63.532 63.066 0.466 18833 2776 1 6 . 1 1 30 30 SER H H 30 8.433 8.433 8.696 -0.263 18833 2777 1 6 . 1 1 31 31 VAL N N 31 118.337 118.337 116.194 2.143 18833 2778 1 6 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.176 -0.085 18833 2779 1 6 . 1 1 31 31 VAL C C 31 176.528 176.528 175.263 1.265 18833 2780 1 6 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.337 0.808 18833 2781 1 6 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.441 0.059 18833 2782 1 6 . 1 1 31 31 VAL H H 31 7.588 7.588 7.384 0.204 18833 2783 1 6 . 1 1 32 32 ARG N N 32 124.670 124.670 125.962 -1.292 18833 2784 1 6 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.212 -0.201 18833 2785 1 6 . 1 1 32 32 ARG CA C 32 57.972 57.972 57.495 0.477 18833 2786 1 6 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.375 -0.800 18833 2787 1 6 . 1 1 32 32 ARG H H 32 8.511 8.511 8.595 -0.084 18833 2788 1 6 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.481 0.091 18833 2789 1 6 . 1 1 33 33 HIS C C 33 175.064 175.064 175.972 -0.908 18833 2790 1 6 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.536 0.295 18833 2791 1 6 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.401 -0.283 18833 2792 1 6 . 1 1 34 34 GLY N N 34 109.531 109.531 106.670 2.861 18833 2793 1 6 . 1 1 34 34 GLY C C 34 174.582 174.582 174.304 0.278 18833 2794 1 6 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.633 0.948 18833 2795 1 6 . 1 1 34 34 GLY H H 34 8.471 8.471 7.645 0.826 18833 2796 1 6 . 1 1 35 35 GLY N N 35 105.151 105.151 106.969 -1.818 18833 2797 1 6 . 1 1 35 35 GLY C C 35 170.505 170.505 174.145 -3.640 18833 2798 1 6 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.920 0.657 18833 2799 1 6 . 1 1 35 35 GLY H H 35 7.833 7.833 7.611 0.222 18833 2800 1 6 . 1 1 36 36 ILE N N 36 119.676 119.676 122.063 -2.387 18833 2801 1 6 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.660 0.052 18833 2802 1 6 . 1 1 36 36 ILE C C 36 174.641 174.641 175.273 -0.632 18833 2803 1 6 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.936 -1.852 18833 2804 1 6 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.394 -0.662 18833 2805 1 6 . 1 1 36 36 ILE H H 36 8.350 8.350 7.597 0.753 18833 2806 1 6 . 1 1 37 37 TYR N N 37 123.307 123.307 126.793 -3.486 18833 2807 1 6 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.004 0.303 18833 2808 1 6 . 1 1 37 37 TYR C C 37 176.165 176.165 175.984 0.181 18833 2809 1 6 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.755 -0.908 18833 2810 1 6 . 1 1 37 37 TYR CB C 37 42.329 42.329 41.504 0.825 18833 2811 1 6 . 1 1 37 37 TYR H H 37 8.892 8.892 9.180 -0.288 18833 2812 1 6 . 1 1 38 38 VAL N N 38 120.580 120.580 121.551 -0.971 18833 2813 1 6 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.152 -0.416 18833 2814 1 6 . 1 1 38 38 VAL C C 38 175.983 175.983 175.846 0.137 18833 2815 1 6 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.267 0.403 18833 2816 1 6 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.527 0.001 18833 2817 1 6 . 1 1 38 38 VAL H H 38 9.365 9.365 9.264 0.101 18833 2818 1 6 . 1 1 39 39 LYS N N 39 133.297 133.297 128.745 4.552 18833 2819 1 6 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.544 -0.159 18833 2820 1 6 . 1 1 39 39 LYS C C 39 174.520 174.520 175.552 -1.032 18833 2821 1 6 . 1 1 39 39 LYS CA C 39 56.509 56.509 55.910 0.599 18833 2822 1 6 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.969 -0.335 18833 2823 1 6 . 1 1 39 39 LYS H H 39 9.560 9.560 8.510 1.050 18833 2824 1 6 . 1 1 40 40 ALA N N 40 118.155 118.155 122.868 -4.713 18833 2825 1 6 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.678 -0.173 18833 2826 1 6 . 1 1 40 40 ALA C C 40 174.639 174.639 175.194 -0.555 18833 2827 1 6 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.297 0.498 18833 2828 1 6 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.655 0.825 18833 2829 1 6 . 1 1 40 40 ALA H H 40 7.498 7.498 7.591 -0.093 18833 2830 1 6 . 1 1 41 41 VAL N N 41 121.634 121.634 122.570 -0.936 18833 2831 1 6 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.893 -0.484 18833 2832 1 6 . 1 1 41 41 VAL C C 41 175.829 175.829 175.450 0.379 18833 2833 1 6 . 1 1 41 41 VAL CA C 41 61.304 61.304 61.102 0.202 18833 2834 1 6 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.681 -3.486 18833 2835 1 6 . 1 1 41 41 VAL H H 41 8.634 8.634 8.353 0.281 18833 2836 1 6 . 1 1 42 42 ILE N N 42 128.094 128.094 126.730 1.364 18833 2837 1 6 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.370 -0.224 18833 2838 1 6 . 1 1 42 42 ILE CA C 42 58.646 58.646 57.505 1.141 18833 2839 1 6 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.325 0.680 18833 2840 1 6 . 1 1 42 42 ILE H H 42 7.944 7.944 8.364 -0.420 18833 2841 1 6 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.546 -0.095 18833 2842 1 6 . 1 1 43 43 PRO C C 43 177.234 177.234 176.389 0.845 18833 2843 1 6 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.498 0.699 18833 2844 1 6 . 1 1 43 43 PRO CB C 43 31.845 31.845 30.963 0.882 18833 2845 1 6 . 1 1 44 44 GLN N N 44 116.825 116.825 115.780 1.045 18833 2846 1 6 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.886 -0.037 18833 2847 1 6 . 1 1 44 44 GLN C C 44 175.752 175.752 175.498 0.254 18833 2848 1 6 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.846 1.286 18833 2849 1 6 . 1 1 44 44 GLN CB C 44 26.474 26.474 25.982 0.492 18833 2850 1 6 . 1 1 44 44 GLN H H 44 9.345 9.345 9.387 -0.042 18833 2851 1 6 . 1 1 45 45 GLY N N 45 106.186 106.186 105.164 1.022 18833 2852 1 6 . 1 1 45 45 GLY C C 45 174.374 174.374 174.399 -0.025 18833 2853 1 6 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.218 0.506 18833 2854 1 6 . 1 1 45 45 GLY H H 45 7.887 7.887 7.811 0.076 18833 2855 1 6 . 1 1 46 46 ALA N N 46 120.843 120.843 123.705 -2.862 18833 2856 1 6 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.979 0.080 18833 2857 1 6 . 1 1 46 46 ALA C C 46 180.628 180.628 179.140 1.488 18833 2858 1 6 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.549 -0.514 18833 2859 1 6 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.766 -0.144 18833 2860 1 6 . 1 1 46 46 ALA H H 46 8.907 8.907 8.809 0.098 18833 2861 1 6 . 1 1 47 47 ALA N N 47 118.721 118.721 121.052 -2.331 18833 2862 1 6 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.888 0.183 18833 2863 1 6 . 1 1 47 47 ALA C C 47 180.589 180.589 179.478 1.111 18833 2864 1 6 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.295 -0.449 18833 2865 1 6 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.709 1.060 18833 2866 1 6 . 1 1 47 47 ALA H H 47 7.856 7.856 8.243 -0.387 18833 2867 1 6 . 1 1 48 48 GLU N N 48 124.373 124.373 118.630 5.743 18833 2868 1 6 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.760 0.049 18833 2869 1 6 . 1 1 48 48 GLU C C 48 178.120 178.120 179.024 -0.904 18833 2870 1 6 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.795 1.062 18833 2871 1 6 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.460 0.159 18833 2872 1 6 . 1 1 48 48 GLU H H 48 9.195 9.195 8.607 0.588 18833 2873 1 6 . 1 1 49 49 SER N N 49 113.220 113.220 114.763 -1.543 18833 2874 1 6 . 1 1 49 49 SER HA H 49 4.099 4.099 4.174 -0.075 18833 2875 1 6 . 1 1 49 49 SER C C 49 175.707 175.707 176.363 -0.656 18833 2876 1 6 . 1 1 49 49 SER CA C 49 61.168 61.168 61.704 -0.536 18833 2877 1 6 . 1 1 49 49 SER CB C 49 62.775 62.775 63.197 -0.422 18833 2878 1 6 . 1 1 49 49 SER H H 49 8.020 8.020 8.262 -0.242 18833 2879 1 6 . 1 1 50 50 ASP N N 50 120.022 120.022 119.471 0.551 18833 2880 1 6 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.507 -0.127 18833 2881 1 6 . 1 1 50 50 ASP C C 50 177.650 177.650 177.712 -0.062 18833 2882 1 6 . 1 1 50 50 ASP CA C 50 57.197 57.197 54.928 2.269 18833 2883 1 6 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.476 2.759 18833 2884 1 6 . 1 1 50 50 ASP H H 50 7.579 7.579 7.883 -0.304 18833 2885 1 6 . 1 1 51 51 GLY N N 51 102.979 102.979 107.020 -4.041 18833 2886 1 6 . 1 1 51 51 GLY C C 51 175.026 175.026 175.626 -0.600 18833 2887 1 6 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.902 0.444 18833 2888 1 6 . 1 1 51 51 GLY H H 51 7.364 7.364 8.259 -0.895 18833 2889 1 6 . 1 1 52 52 ARG N N 52 117.501 117.501 120.028 -2.527 18833 2890 1 6 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.285 0.023 18833 2891 1 6 . 1 1 52 52 ARG C C 52 175.898 175.898 176.274 -0.376 18833 2892 1 6 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.664 0.240 18833 2893 1 6 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.950 2.049 18833 2894 1 6 . 1 1 52 52 ARG H H 52 7.958 7.958 8.071 -0.113 18833 2895 1 6 . 1 1 53 53 ILE N N 53 120.028 120.028 117.478 2.550 18833 2896 1 6 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.538 -0.306 18833 2897 1 6 . 1 1 53 53 ILE C C 53 173.773 173.773 174.728 -0.955 18833 2898 1 6 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.709 0.720 18833 2899 1 6 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.926 -0.227 18833 2900 1 6 . 1 1 53 53 ILE H H 53 8.223 8.223 7.364 0.859 18833 2901 1 6 . 1 1 54 54 HIS N N 54 123.681 123.681 123.158 0.523 18833 2902 1 6 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.976 -0.175 18833 2903 1 6 . 1 1 54 54 HIS C C 54 173.826 173.826 174.199 -0.373 18833 2904 1 6 . 1 1 54 54 HIS CA C 54 54.885 54.885 55.175 -0.290 18833 2905 1 6 . 1 1 54 54 HIS CB C 54 33.499 33.499 34.243 -0.744 18833 2906 1 6 . 1 1 54 54 HIS H H 54 9.073 9.073 9.630 -0.557 18833 2907 1 6 . 1 1 55 55 LYS N N 55 120.814 120.814 118.795 2.019 18833 2908 1 6 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.121 -0.511 18833 2909 1 6 . 1 1 55 55 LYS C C 55 177.014 177.014 177.271 -0.257 18833 2910 1 6 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.748 0.685 18833 2911 1 6 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.528 -0.168 18833 2912 1 6 . 1 1 55 55 LYS H H 55 8.715 8.715 8.592 0.123 18833 2913 1 6 . 1 1 56 56 GLY N N 56 114.423 114.423 110.986 3.437 18833 2914 1 6 . 1 1 56 56 GLY C C 56 174.469 174.469 173.841 0.628 18833 2915 1 6 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.023 -0.185 18833 2916 1 6 . 1 1 56 56 GLY H H 56 9.128 9.128 8.945 0.183 18833 2917 1 6 . 1 1 57 57 ASP N N 57 121.735 121.735 122.723 -0.988 18833 2918 1 6 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.874 0.009 18833 2919 1 6 . 1 1 57 57 ASP C C 57 174.808 174.808 174.629 0.179 18833 2920 1 6 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.465 0.362 18833 2921 1 6 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.224 -1.169 18833 2922 1 6 . 1 1 57 57 ASP H H 57 8.033 8.033 7.603 0.430 18833 2923 1 6 . 1 1 58 58 ARG N N 58 123.530 123.530 123.343 0.187 18833 2924 1 6 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.786 -0.148 18833 2925 1 6 . 1 1 58 58 ARG C C 58 175.641 175.641 174.527 1.114 18833 2926 1 6 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.082 0.618 18833 2927 1 6 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.181 1.450 18833 2928 1 6 . 1 1 58 58 ARG H H 58 9.097 9.097 9.120 -0.023 18833 2929 1 6 . 1 1 59 59 VAL N N 59 126.202 126.202 125.853 0.349 18833 2930 1 6 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.373 -0.468 18833 2931 1 6 . 1 1 59 59 VAL C C 59 174.515 174.515 175.333 -0.818 18833 2932 1 6 . 1 1 59 59 VAL CA C 59 62.152 62.152 62.023 0.129 18833 2933 1 6 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.071 -0.997 18833 2934 1 6 . 1 1 59 59 VAL H H 59 8.898 8.898 8.792 0.106 18833 2935 1 6 . 1 1 60 60 LEU N N 60 127.209 127.209 120.768 6.441 18833 2936 1 6 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.869 -0.549 18833 2937 1 6 . 1 1 60 60 LEU C C 60 178.352 178.352 175.839 2.513 18833 2938 1 6 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.026 1.135 18833 2939 1 6 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.616 -0.991 18833 2940 1 6 . 1 1 60 60 LEU H H 60 9.193 9.193 8.838 0.355 18833 2941 1 6 . 1 1 61 61 ALA N N 61 118.965 118.965 120.014 -1.049 18833 2942 1 6 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.403 -0.464 18833 2943 1 6 . 1 1 61 61 ALA C C 61 175.332 175.332 175.463 -0.131 18833 2944 1 6 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.134 2.158 18833 2945 1 6 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.812 -0.726 18833 2946 1 6 . 1 1 61 61 ALA H H 61 7.759 7.759 7.527 0.232 18833 2947 1 6 . 1 1 62 62 VAL N N 62 119.695 119.695 119.128 0.567 18833 2948 1 6 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.561 -0.077 18833 2949 1 6 . 1 1 62 62 VAL C C 62 175.538 175.538 175.877 -0.339 18833 2950 1 6 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.444 -0.907 18833 2951 1 6 . 1 1 62 62 VAL CB C 62 33.961 33.961 33.816 0.145 18833 2952 1 6 . 1 1 62 62 VAL H H 62 8.218 8.218 8.113 0.105 18833 2953 1 6 . 1 1 63 63 ASN N N 63 128.940 128.940 128.061 0.879 18833 2954 1 6 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.392 0.179 18833 2955 1 6 . 1 1 63 63 ASN C C 63 175.155 175.155 175.540 -0.385 18833 2956 1 6 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.420 0.038 18833 2957 1 6 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.195 -1.276 18833 2958 1 6 . 1 1 63 63 ASN H H 63 10.387 10.387 9.347 1.040 18833 2959 1 6 . 1 1 64 64 GLY N N 64 103.432 103.432 101.970 1.462 18833 2960 1 6 . 1 1 64 64 GLY C C 64 173.902 173.902 174.165 -0.263 18833 2961 1 6 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.011 0.186 18833 2962 1 6 . 1 1 64 64 GLY H H 64 9.094 9.094 8.489 0.605 18833 2963 1 6 . 1 1 65 65 VAL N N 65 123.418 123.418 121.973 1.445 18833 2964 1 6 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.157 -0.181 18833 2965 1 6 . 1 1 65 65 VAL C C 65 175.675 175.675 175.396 0.279 18833 2966 1 6 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.231 0.831 18833 2967 1 6 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.704 -0.875 18833 2968 1 6 . 1 1 65 65 VAL H H 65 7.948 7.948 7.825 0.123 18833 2969 1 6 . 1 1 66 66 SER N N 66 121.122 121.122 124.432 -3.310 18833 2970 1 6 . 1 1 66 66 SER HA H 66 4.365 4.365 4.381 -0.016 18833 2971 1 6 . 1 1 66 66 SER C C 66 176.402 176.402 174.293 2.109 18833 2972 1 6 . 1 1 66 66 SER CA C 66 58.310 58.310 59.062 -0.752 18833 2973 1 6 . 1 1 66 66 SER CB C 66 63.651 63.651 63.299 0.352 18833 2974 1 6 . 1 1 66 66 SER H H 66 8.671 8.671 8.720 -0.049 18833 2975 1 6 . 1 1 67 67 LEU N N 67 125.351 125.351 125.162 0.189 18833 2976 1 6 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.452 -0.012 18833 2977 1 6 . 1 1 67 67 LEU C C 67 176.359 176.359 176.879 -0.520 18833 2978 1 6 . 1 1 67 67 LEU CA C 67 53.867 53.867 53.858 0.009 18833 2979 1 6 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.222 -0.241 18833 2980 1 6 . 1 1 67 67 LEU H H 67 8.205 8.205 8.292 -0.087 18833 2981 1 6 . 1 1 68 68 GLU N N 68 123.211 123.211 120.041 3.170 18833 2982 1 6 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.134 -0.088 18833 2983 1 6 . 1 1 68 68 GLU C C 68 177.820 177.820 177.654 0.166 18833 2984 1 6 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.633 0.902 18833 2985 1 6 . 1 1 68 68 GLU CB C 68 29.080 29.080 30.011 -0.931 18833 2986 1 6 . 1 1 68 68 GLU H H 68 8.300 8.300 7.940 0.360 18833 2987 1 6 . 1 1 69 69 GLY N N 69 115.507 115.507 112.979 2.528 18833 2988 1 6 . 1 1 69 69 GLY C C 69 173.652 173.652 174.168 -0.516 18833 2989 1 6 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.876 0.471 18833 2990 1 6 . 1 1 69 69 GLY H H 69 8.945 8.945 8.766 0.179 18833 2991 1 6 . 1 1 70 70 ALA N N 70 122.308 122.308 124.108 -1.800 18833 2992 1 6 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.369 0.121 18833 2993 1 6 . 1 1 70 70 ALA C C 70 179.583 179.583 176.486 3.097 18833 2994 1 6 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.028 0.456 18833 2995 1 6 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.642 -0.054 18833 2996 1 6 . 1 1 70 70 ALA H H 70 7.882 7.882 7.364 0.518 18833 2997 1 6 . 1 1 71 71 THR N N 71 111.173 111.173 110.050 1.123 18833 2998 1 6 . 1 1 71 71 THR HA H 71 4.526 4.526 4.373 0.153 18833 2999 1 6 . 1 1 71 71 THR C C 71 174.660 174.660 175.700 -1.040 18833 3000 1 6 . 1 1 71 71 THR CA C 71 60.732 60.732 60.854 -0.122 18833 3001 1 6 . 1 1 71 71 THR CB C 71 71.196 71.196 70.617 0.579 18833 3002 1 6 . 1 1 71 71 THR H H 71 8.185 8.185 8.051 0.134 18833 3003 1 6 . 1 1 72 72 HIS N N 72 121.107 121.107 121.758 -0.651 18833 3004 1 6 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.377 -0.376 18833 3005 1 6 . 1 1 72 72 HIS C C 72 176.702 176.702 176.989 -0.287 18833 3006 1 6 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.266 2.186 18833 3007 1 6 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.266 1.043 18833 3008 1 6 . 1 1 72 72 HIS H H 72 9.077 9.077 8.725 0.352 18833 3009 1 6 . 1 1 73 73 LYS N N 73 116.672 116.672 117.280 -0.608 18833 3010 1 6 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.802 -0.046 18833 3011 1 6 . 1 1 73 73 LYS C C 73 178.603 178.603 178.802 -0.199 18833 3012 1 6 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.336 0.686 18833 3013 1 6 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.331 1.129 18833 3014 1 6 . 1 1 73 73 LYS H H 73 8.473 8.473 7.828 0.645 18833 3015 1 6 . 1 1 74 74 GLN N N 74 116.558 116.558 119.987 -3.429 18833 3016 1 6 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.048 -0.116 18833 3017 1 6 . 1 1 74 74 GLN C C 74 179.891 179.891 178.343 1.548 18833 3018 1 6 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.091 0.480 18833 3019 1 6 . 1 1 74 74 GLN CB C 74 28.325 28.325 27.984 0.341 18833 3020 1 6 . 1 1 74 74 GLN H H 74 7.568 7.568 7.517 0.051 18833 3021 1 6 . 1 1 75 75 ALA N N 75 123.337 123.337 122.306 1.031 18833 3022 1 6 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.038 -0.244 18833 3023 1 6 . 1 1 75 75 ALA C C 75 178.309 178.309 179.742 -1.433 18833 3024 1 6 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.168 0.500 18833 3025 1 6 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.099 1.269 18833 3026 1 6 . 1 1 75 75 ALA H H 75 8.320 8.320 7.769 0.551 18833 3027 1 6 . 1 1 76 76 VAL N N 76 118.172 118.172 118.315 -0.143 18833 3028 1 6 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.748 -0.561 18833 3029 1 6 . 1 1 76 76 VAL C C 76 179.705 179.705 177.511 2.194 18833 3030 1 6 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.686 0.466 18833 3031 1 6 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.680 -0.505 18833 3032 1 6 . 1 1 76 76 VAL H H 76 8.122 8.122 7.486 0.636 18833 3033 1 6 . 1 1 77 77 CYS N N 77 116.979 116.979 118.022 -1.043 18833 3034 1 6 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.134 0.067 18833 3035 1 6 . 1 1 77 77 CYS C C 77 177.004 177.004 177.537 -0.533 18833 3036 1 6 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.029 -1.137 18833 3037 1 6 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.467 11.076 18833 3038 1 6 . 1 1 77 77 CYS H H 77 8.327 8.327 8.300 0.027 18833 3039 1 6 . 1 1 78 78 THR N N 78 117.521 117.521 117.109 0.412 18833 3040 1 6 . 1 1 78 78 THR HA H 78 3.867 3.867 3.861 0.006 18833 3041 1 6 . 1 1 78 78 THR C C 78 176.306 176.306 176.198 0.108 18833 3042 1 6 . 1 1 78 78 THR CA C 78 67.197 67.197 66.801 0.396 18833 3043 1 6 . 1 1 78 78 THR CB C 78 68.145 68.145 68.587 -0.442 18833 3044 1 6 . 1 1 78 78 THR H H 78 8.259 8.259 8.279 -0.020 18833 3045 1 6 . 1 1 79 79 LEU N N 79 119.714 119.714 121.101 -1.387 18833 3046 1 6 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.972 -0.136 18833 3047 1 6 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.631 0.319 18833 3048 1 6 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.397 0.231 18833 3049 1 6 . 1 1 79 79 LEU H H 79 7.748 7.748 7.485 0.263 18833 3050 1 6 . 1 1 80 80 ARG N N 80 119.613 119.613 115.383 4.230 18833 3051 1 6 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.001 0.114 18833 3052 1 6 . 1 1 80 80 ARG C C 80 177.905 177.905 177.235 0.670 18833 3053 1 6 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.899 -0.437 18833 3054 1 6 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.799 0.971 18833 3055 1 6 . 1 1 80 80 ARG H H 80 7.944 7.944 7.649 0.295 18833 3056 1 6 . 1 1 81 81 ASN N N 81 119.257 119.257 115.201 4.056 18833 3057 1 6 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.729 0.232 18833 3058 1 6 . 1 1 81 81 ASN C C 81 175.030 175.030 175.497 -0.467 18833 3059 1 6 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.307 -0.501 18833 3060 1 6 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.983 -2.529 18833 3061 1 6 . 1 1 81 81 ASN H H 81 7.843 7.843 7.889 -0.046 18833 3062 1 6 . 1 1 82 82 THR N N 82 109.817 109.817 114.005 -4.188 18833 3063 1 6 . 1 1 82 82 THR HA H 82 4.391 4.391 4.476 -0.085 18833 3064 1 6 . 1 1 82 82 THR C C 82 175.114 175.114 174.891 0.223 18833 3065 1 6 . 1 1 82 82 THR CA C 82 60.155 60.155 61.819 -1.664 18833 3066 1 6 . 1 1 82 82 THR CB C 82 72.327 72.327 70.488 1.839 18833 3067 1 6 . 1 1 82 82 THR H H 82 7.514 7.514 7.479 0.035 18833 3068 1 6 . 1 1 83 83 GLY N N 83 109.536 109.536 106.772 2.764 18833 3069 1 6 . 1 1 83 83 GLY C C 83 173.492 173.492 174.384 -0.892 18833 3070 1 6 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.182 -0.056 18833 3071 1 6 . 1 1 83 83 GLY H H 83 8.406 8.406 8.405 0.001 18833 3072 1 6 . 1 1 84 84 GLN N N 84 117.293 117.293 117.699 -0.406 18833 3073 1 6 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.210 -0.242 18833 3074 1 6 . 1 1 84 84 GLN C C 84 175.351 175.351 175.335 0.016 18833 3075 1 6 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.784 0.728 18833 3076 1 6 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.323 -0.300 18833 3077 1 6 . 1 1 84 84 GLN H H 84 8.218 8.218 8.433 -0.215 18833 3078 1 6 . 1 1 85 85 VAL N N 85 116.238 116.238 117.436 -1.198 18833 3079 1 6 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.438 0.254 18833 3080 1 6 . 1 1 85 85 VAL C C 85 175.864 175.864 174.742 1.122 18833 3081 1 6 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.296 0.046 18833 3082 1 6 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.276 0.098 18833 3083 1 6 . 1 1 85 85 VAL H H 85 7.715 7.715 7.623 0.092 18833 3084 1 6 . 1 1 86 86 VAL N N 86 128.273 128.273 126.189 2.084 18833 3085 1 6 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.322 0.202 18833 3086 1 6 . 1 1 86 86 VAL C C 86 173.320 173.320 174.119 -0.799 18833 3087 1 6 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.468 0.318 18833 3088 1 6 . 1 1 86 86 VAL CB C 86 35.105 35.105 36.189 -1.084 18833 3089 1 6 . 1 1 86 86 VAL H H 86 9.034 9.034 8.073 0.961 18833 3090 1 6 . 1 1 87 87 HIS N N 87 126.224 126.224 122.351 3.873 18833 3091 1 6 . 1 1 87 87 HIS HA H 87 5.037 5.037 5.003 0.034 18833 3092 1 6 . 1 1 87 87 HIS C C 87 174.442 174.442 174.958 -0.516 18833 3093 1 6 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.809 -0.051 18833 3094 1 6 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.939 1.562 18833 3095 1 6 . 1 1 87 87 HIS H H 87 8.761 8.761 8.704 0.057 18833 3096 1 6 . 1 1 88 88 LEU N N 88 126.604 126.604 124.391 2.213 18833 3097 1 6 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.778 0.191 18833 3098 1 6 . 1 1 88 88 LEU C C 88 173.306 173.306 174.500 -1.194 18833 3099 1 6 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.635 0.014 18833 3100 1 6 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.127 0.161 18833 3101 1 6 . 1 1 88 88 LEU H H 88 9.045 9.045 9.348 -0.303 18833 3102 1 6 . 1 1 89 89 LEU N N 89 124.501 124.501 124.338 0.163 18833 3103 1 6 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.726 -0.005 18833 3104 1 6 . 1 1 89 89 LEU C C 89 175.180 175.180 174.303 0.877 18833 3105 1 6 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.383 0.355 18833 3106 1 6 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.452 0.914 18833 3107 1 6 . 1 1 89 89 LEU H H 89 7.977 7.977 8.615 -0.638 18833 3108 1 6 . 1 1 90 90 LEU N N 90 127.520 127.520 126.409 1.111 18833 3109 1 6 . 1 1 90 90 LEU HA H 90 5.289 5.289 5.096 0.193 18833 3110 1 6 . 1 1 90 90 LEU C C 90 173.616 173.616 174.593 -0.977 18833 3111 1 6 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.614 0.541 18833 3112 1 6 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.480 -0.460 18833 3113 1 6 . 1 1 90 90 LEU H H 90 8.896 8.896 8.539 0.357 18833 3114 1 6 . 1 1 91 91 GLU N N 91 118.964 118.964 120.690 -1.726 18833 3115 1 6 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.233 -0.147 18833 3116 1 6 . 1 1 91 91 GLU C C 91 176.652 176.652 175.669 0.983 18833 3117 1 6 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.349 -0.531 18833 3118 1 6 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.696 0.210 18833 3119 1 6 . 1 1 91 91 GLU H H 91 8.825 8.825 9.239 -0.414 18833 3120 1 6 . 1 1 92 92 LYS N N 92 128.805 128.805 127.179 1.626 18833 3121 1 6 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.726 -0.357 18833 3122 1 6 . 1 1 92 92 LYS C C 92 178.011 178.011 176.352 1.659 18833 3123 1 6 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.220 -0.880 18833 3124 1 6 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.575 -1.506 18833 3125 1 6 . 1 1 92 92 LYS H H 92 9.333 9.333 8.999 0.334 18833 3126 1 6 . 1 1 93 93 GLY N N 93 117.774 117.774 108.674 9.100 18833 3127 1 6 . 1 1 93 93 GLY C C 93 173.157 173.157 172.661 0.496 18833 3128 1 6 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.577 0.598 18833 3129 1 6 . 1 1 93 93 GLY H H 93 9.735 9.735 8.380 1.355 18833 3130 1 6 . 1 1 94 94 GLN N N 94 116.912 116.912 117.092 -0.180 18833 3131 1 6 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.632 -0.368 18833 3132 1 6 . 1 1 94 94 GLN C C 94 175.955 175.955 174.231 1.724 18833 3133 1 6 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.687 0.814 18833 3134 1 6 . 1 1 94 94 GLN CB C 94 29.718 29.718 33.108 -3.390 18833 3135 1 6 . 1 1 94 94 GLN H H 94 8.243 8.243 8.371 -0.128 18833 3136 1 6 . 1 1 95 95 SER N N 95 118.157 118.157 118.158 -0.001 18833 3137 1 6 . 1 1 95 95 SER HA H 95 4.662 4.662 4.640 0.022 18833 3138 1 6 . 1 1 95 95 SER CA C 95 56.615 56.615 56.410 0.205 18833 3139 1 6 . 1 1 95 95 SER CB C 95 63.203 63.203 63.192 0.011 18833 3140 1 6 . 1 1 95 95 SER H H 95 8.396 8.396 8.396 -0.000 18833 3141 1 6 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.397 0.080 18833 3142 1 6 . 1 1 96 96 PRO C C 96 176.303 176.303 175.641 0.662 18833 3143 1 6 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.045 0.469 18833 3144 1 6 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.101 -0.172 18833 3145 1 7 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.399 0.073 18833 3146 1 7 . 1 1 2 2 PRO C C 2 175.867 175.867 176.248 -0.381 18833 3147 1 7 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.427 0.413 18833 3148 1 7 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.650 -0.337 18833 3149 1 7 . 1 1 3 3 LYS N N 3 124.698 124.698 121.094 3.604 18833 3150 1 7 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.487 0.120 18833 3151 1 7 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.829 -1.222 18833 3152 1 7 . 1 1 3 3 LYS CB C 3 31.587 31.587 31.953 -0.366 18833 3153 1 7 . 1 1 3 3 LYS H H 3 8.933 8.933 9.012 -0.079 18833 3154 1 7 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.329 -0.388 18833 3155 1 7 . 1 1 4 4 PRO C C 4 177.504 177.504 177.632 -0.128 18833 3156 1 7 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.035 0.477 18833 3157 1 7 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.409 0.261 18833 3158 1 7 . 1 1 5 5 GLY N N 5 113.652 113.652 113.426 0.226 18833 3159 1 7 . 1 1 5 5 GLY C C 5 174.146 174.146 174.765 -0.619 18833 3160 1 7 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.897 0.175 18833 3161 1 7 . 1 1 5 5 GLY H H 5 9.014 9.014 7.825 1.189 18833 3162 1 7 . 1 1 6 6 ASP N N 6 121.766 121.766 122.166 -0.400 18833 3163 1 7 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.765 -0.094 18833 3164 1 7 . 1 1 6 6 ASP C C 6 175.762 175.762 175.612 0.150 18833 3165 1 7 . 1 1 6 6 ASP CA C 6 54.899 54.899 54.965 -0.066 18833 3166 1 7 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.231 -0.825 18833 3167 1 7 . 1 1 6 6 ASP H H 6 8.489 8.489 7.855 0.634 18833 3168 1 7 . 1 1 7 7 ILE N N 7 121.794 121.794 122.748 -0.954 18833 3169 1 7 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.867 0.466 18833 3170 1 7 . 1 1 7 7 ILE C C 7 176.854 176.854 176.442 0.412 18833 3171 1 7 . 1 1 7 7 ILE CA C 7 59.632 59.632 61.004 -1.372 18833 3172 1 7 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.800 -0.585 18833 3173 1 7 . 1 1 7 7 ILE H H 7 8.368 8.368 8.482 -0.114 18833 3174 1 7 . 1 1 8 8 PHE N N 8 125.873 125.873 125.818 0.055 18833 3175 1 7 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.073 -0.009 18833 3176 1 7 . 1 1 8 8 PHE C C 8 171.167 171.167 173.976 -2.809 18833 3177 1 7 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.113 0.437 18833 3178 1 7 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.598 -0.265 18833 3179 1 7 . 1 1 8 8 PHE H H 8 9.498 9.498 8.927 0.571 18833 3180 1 7 . 1 1 9 9 GLU N N 9 119.065 119.065 121.553 -2.488 18833 3181 1 7 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.766 0.449 18833 3182 1 7 . 1 1 9 9 GLU C C 9 176.019 176.019 176.161 -0.142 18833 3183 1 7 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.489 -1.500 18833 3184 1 7 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.101 2.310 18833 3185 1 7 . 1 1 9 9 GLU H H 9 8.502 8.502 8.562 -0.060 18833 3186 1 7 . 1 1 10 10 VAL N N 10 120.078 120.078 125.241 -5.163 18833 3187 1 7 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.343 -0.208 18833 3188 1 7 . 1 1 10 10 VAL C C 10 173.177 173.177 174.521 -1.344 18833 3189 1 7 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.943 0.170 18833 3190 1 7 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.032 1.749 18833 3191 1 7 . 1 1 10 10 VAL H H 10 8.581 8.581 9.194 -0.613 18833 3192 1 7 . 1 1 11 11 GLU N N 11 126.482 126.482 127.005 -0.523 18833 3193 1 7 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.030 -0.031 18833 3194 1 7 . 1 1 11 11 GLU C C 11 174.618 174.618 175.116 -0.498 18833 3195 1 7 . 1 1 11 11 GLU CA C 11 54.814 54.814 55.073 -0.259 18833 3196 1 7 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.614 0.394 18833 3197 1 7 . 1 1 11 11 GLU H H 11 7.810 7.810 8.622 -0.812 18833 3198 1 7 . 1 1 12 12 LEU N N 12 126.093 126.093 127.438 -1.345 18833 3199 1 7 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.745 -0.091 18833 3200 1 7 . 1 1 12 12 LEU C C 12 174.013 174.013 174.835 -0.822 18833 3201 1 7 . 1 1 12 12 LEU CA C 12 53.174 53.174 52.737 0.437 18833 3202 1 7 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.336 1.530 18833 3203 1 7 . 1 1 12 12 LEU H H 12 8.888 8.888 8.662 0.226 18833 3204 1 7 . 1 1 13 13 ALA N N 13 126.137 126.137 130.214 -4.077 18833 3205 1 7 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.604 0.497 18833 3206 1 7 . 1 1 13 13 ALA C C 13 177.290 177.290 176.411 0.879 18833 3207 1 7 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.408 -1.525 18833 3208 1 7 . 1 1 13 13 ALA CB C 13 19.409 19.409 19.664 -0.255 18833 3209 1 7 . 1 1 13 13 ALA H H 13 8.494 8.494 8.433 0.061 18833 3210 1 7 . 1 1 14 14 LYS N N 14 120.270 120.270 125.682 -5.412 18833 3211 1 7 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.270 -0.472 18833 3212 1 7 . 1 1 14 14 LYS C C 14 176.313 176.313 176.810 -0.497 18833 3213 1 7 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.990 1.808 18833 3214 1 7 . 1 1 14 14 LYS CB C 14 33.913 33.913 32.105 1.808 18833 3215 1 7 . 1 1 14 14 LYS H H 14 8.486 8.486 8.673 -0.187 18833 3216 1 7 . 1 1 15 15 ASN N N 15 117.746 117.746 116.517 1.229 18833 3217 1 7 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.301 0.523 18833 3218 1 7 . 1 1 15 15 ASN CA C 15 52.779 52.779 56.041 -3.262 18833 3219 1 7 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.273 1.849 18833 3220 1 7 . 1 1 15 15 ASN H H 15 8.139 8.139 8.268 -0.129 18833 3221 1 7 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.691 -0.390 18833 3222 1 7 . 1 1 16 16 ASP C C 16 175.367 175.367 175.782 -0.415 18833 3223 1 7 . 1 1 16 16 ASP CA C 16 55.452 55.452 53.331 2.121 18833 3224 1 7 . 1 1 16 16 ASP CB C 16 39.456 39.456 42.913 -3.457 18833 3225 1 7 . 1 1 17 17 ASN N N 17 111.793 111.793 116.864 -5.071 18833 3226 1 7 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.402 -0.022 18833 3227 1 7 . 1 1 17 17 ASN C C 17 174.599 174.599 174.571 0.028 18833 3228 1 7 . 1 1 17 17 ASN CA C 17 53.793 53.793 54.410 -0.617 18833 3229 1 7 . 1 1 17 17 ASN CB C 17 38.716 38.716 37.826 0.890 18833 3230 1 7 . 1 1 17 17 ASN H H 17 8.698 8.698 8.475 0.223 18833 3231 1 7 . 1 1 18 18 SER N N 18 112.321 112.321 119.117 -6.796 18833 3232 1 7 . 1 1 18 18 SER HA H 18 4.827 4.827 4.657 0.170 18833 3233 1 7 . 1 1 18 18 SER CA C 18 56.795 56.795 57.533 -0.739 18833 3234 1 7 . 1 1 18 18 SER CB C 18 64.855 64.855 64.042 0.813 18833 3235 1 7 . 1 1 18 18 SER H H 18 7.989 7.989 8.373 -0.384 18833 3236 1 7 . 1 1 19 19 LEU N N 19 127.097 127.097 125.210 1.887 18833 3237 1 7 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.263 -0.098 18833 3238 1 7 . 1 1 19 19 LEU C C 19 177.329 177.329 178.090 -0.761 18833 3239 1 7 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.204 0.309 18833 3240 1 7 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.274 1.045 18833 3241 1 7 . 1 1 19 19 LEU H H 19 9.247 9.247 8.681 0.566 18833 3242 1 7 . 1 1 20 20 GLY N N 20 104.340 104.340 105.190 -0.850 18833 3243 1 7 . 1 1 20 20 GLY C C 20 175.984 175.984 173.864 2.120 18833 3244 1 7 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.158 1.641 18833 3245 1 7 . 1 1 20 20 GLY H H 20 8.664 8.664 8.405 0.259 18833 3246 1 7 . 1 1 21 21 ILE N N 21 115.279 115.279 117.653 -2.374 18833 3247 1 7 . 1 1 21 21 ILE HA H 21 4.996 4.996 4.783 0.213 18833 3248 1 7 . 1 1 21 21 ILE C C 21 175.972 175.972 175.419 0.553 18833 3249 1 7 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.581 0.200 18833 3250 1 7 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.375 1.247 18833 3251 1 7 . 1 1 21 21 ILE H H 21 7.614 7.614 7.699 -0.085 18833 3252 1 7 . 1 1 22 22 CYS N N 22 122.210 122.210 123.184 -0.974 18833 3253 1 7 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.027 0.244 18833 3254 1 7 . 1 1 22 22 CYS C C 22 175.904 175.904 172.746 3.158 18833 3255 1 7 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.267 -5.322 18833 3256 1 7 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.639 4.553 18833 3257 1 7 . 1 1 22 22 CYS H H 22 8.506 8.506 8.560 -0.054 18833 3258 1 7 . 1 1 23 23 VAL N N 23 117.739 117.739 117.457 0.282 18833 3259 1 7 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.232 0.235 18833 3260 1 7 . 1 1 23 23 VAL C C 23 173.821 173.821 173.750 0.071 18833 3261 1 7 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.228 -0.408 18833 3262 1 7 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.525 0.230 18833 3263 1 7 . 1 1 23 23 VAL H H 23 9.203 9.203 8.454 0.749 18833 3264 1 7 . 1 1 24 24 THR N N 24 114.753 114.753 114.471 0.282 18833 3265 1 7 . 1 1 24 24 THR HA H 24 4.649 4.649 4.733 -0.084 18833 3266 1 7 . 1 1 24 24 THR C C 24 171.786 171.786 173.078 -1.292 18833 3267 1 7 . 1 1 24 24 THR CA C 24 59.529 59.529 59.416 0.113 18833 3268 1 7 . 1 1 24 24 THR CB C 24 70.563 70.563 70.385 0.179 18833 3269 1 7 . 1 1 24 24 THR H H 24 9.237 9.237 8.793 0.444 18833 3270 1 7 . 1 1 25 25 GLY N N 25 111.927 111.927 110.000 1.927 18833 3271 1 7 . 1 1 25 25 GLY C C 25 174.099 174.099 172.935 1.164 18833 3272 1 7 . 1 1 25 25 GLY CA C 25 44.612 44.612 45.033 -0.422 18833 3273 1 7 . 1 1 25 25 GLY H H 25 8.291 8.291 8.684 -0.393 18833 3274 1 7 . 1 1 26 26 GLY N N 26 107.140 107.140 109.534 -2.394 18833 3275 1 7 . 1 1 26 26 GLY C C 26 176.180 176.180 174.645 1.535 18833 3276 1 7 . 1 1 26 26 GLY CA C 26 43.803 43.803 46.184 -2.381 18833 3277 1 7 . 1 1 26 26 GLY H H 26 7.545 7.545 8.405 -0.860 18833 3278 1 7 . 1 1 27 27 VAL N N 27 116.837 116.837 120.741 -3.904 18833 3279 1 7 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.960 0.166 18833 3280 1 7 . 1 1 27 27 VAL C C 27 175.764 175.764 175.310 0.454 18833 3281 1 7 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.537 1.258 18833 3282 1 7 . 1 1 27 27 VAL CB C 27 31.983 31.983 29.929 2.054 18833 3283 1 7 . 1 1 27 27 VAL H H 27 8.091 8.091 8.221 -0.130 18833 3284 1 7 . 1 1 28 28 ASN N N 28 117.997 117.997 115.171 2.826 18833 3285 1 7 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.476 0.333 18833 3286 1 7 . 1 1 28 28 ASN C C 28 174.860 174.860 174.553 0.307 18833 3287 1 7 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.948 -0.493 18833 3288 1 7 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.797 0.950 18833 3289 1 7 . 1 1 28 28 ASN H H 28 8.795 8.795 8.369 0.426 18833 3290 1 7 . 1 1 29 29 THR N N 29 111.381 111.381 113.689 -2.308 18833 3291 1 7 . 1 1 29 29 THR HA H 29 4.689 4.689 4.598 0.091 18833 3292 1 7 . 1 1 29 29 THR CA C 29 61.526 61.526 60.948 0.578 18833 3293 1 7 . 1 1 29 29 THR CB C 29 70.889 70.889 69.958 0.931 18833 3294 1 7 . 1 1 29 29 THR H H 29 7.858 7.858 8.185 -0.327 18833 3295 1 7 . 1 1 30 30 SER N N 30 114.070 114.070 115.695 -1.625 18833 3296 1 7 . 1 1 30 30 SER HA H 30 4.535 4.535 4.210 0.325 18833 3297 1 7 . 1 1 30 30 SER C C 30 174.879 174.879 174.221 0.658 18833 3298 1 7 . 1 1 30 30 SER CA C 30 58.380 58.380 60.033 -1.653 18833 3299 1 7 . 1 1 30 30 SER CB C 30 63.532 63.532 63.001 0.531 18833 3300 1 7 . 1 1 30 30 SER H H 30 8.433 8.433 8.652 -0.219 18833 3301 1 7 . 1 1 31 31 VAL N N 31 118.337 118.337 116.410 1.927 18833 3302 1 7 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.180 -0.089 18833 3303 1 7 . 1 1 31 31 VAL C C 31 176.528 176.528 176.309 0.219 18833 3304 1 7 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.290 0.855 18833 3305 1 7 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.412 0.088 18833 3306 1 7 . 1 1 31 31 VAL H H 31 7.588 7.588 7.376 0.212 18833 3307 1 7 . 1 1 32 32 ARG N N 32 124.670 124.670 128.840 -4.170 18833 3308 1 7 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.017 -0.006 18833 3309 1 7 . 1 1 32 32 ARG CA C 32 57.972 57.972 59.462 -1.490 18833 3310 1 7 . 1 1 32 32 ARG CB C 32 29.575 29.575 29.972 -0.397 18833 3311 1 7 . 1 1 32 32 ARG H H 32 8.511 8.511 8.830 -0.319 18833 3312 1 7 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.557 0.016 18833 3313 1 7 . 1 1 33 33 HIS C C 33 175.064 175.064 175.624 -0.560 18833 3314 1 7 . 1 1 33 33 HIS CA C 33 56.831 56.831 54.941 1.890 18833 3315 1 7 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.911 -0.793 18833 3316 1 7 . 1 1 34 34 GLY N N 34 109.531 109.531 108.516 1.015 18833 3317 1 7 . 1 1 34 34 GLY C C 34 174.582 174.582 173.952 0.630 18833 3318 1 7 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.496 1.085 18833 3319 1 7 . 1 1 34 34 GLY H H 34 8.471 8.471 7.658 0.813 18833 3320 1 7 . 1 1 35 35 GLY N N 35 105.151 105.151 106.211 -1.060 18833 3321 1 7 . 1 1 35 35 GLY C C 35 170.505 170.505 174.014 -3.509 18833 3322 1 7 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.931 0.646 18833 3323 1 7 . 1 1 35 35 GLY H H 35 7.833 7.833 7.828 0.005 18833 3324 1 7 . 1 1 36 36 ILE N N 36 119.676 119.676 123.928 -4.252 18833 3325 1 7 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.611 0.101 18833 3326 1 7 . 1 1 36 36 ILE C C 36 174.641 174.641 175.064 -0.423 18833 3327 1 7 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.689 -1.605 18833 3328 1 7 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.329 -0.597 18833 3329 1 7 . 1 1 36 36 ILE H H 36 8.350 8.350 7.568 0.782 18833 3330 1 7 . 1 1 37 37 TYR N N 37 123.307 123.307 126.983 -3.676 18833 3331 1 7 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.306 0.001 18833 3332 1 7 . 1 1 37 37 TYR C C 37 176.165 176.165 176.130 0.035 18833 3333 1 7 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.315 -0.468 18833 3334 1 7 . 1 1 37 37 TYR CB C 37 42.329 42.329 41.840 0.489 18833 3335 1 7 . 1 1 37 37 TYR H H 37 8.892 8.892 9.014 -0.122 18833 3336 1 7 . 1 1 38 38 VAL N N 38 120.580 120.580 121.436 -0.856 18833 3337 1 7 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.045 -0.309 18833 3338 1 7 . 1 1 38 38 VAL C C 38 175.983 175.983 176.208 -0.225 18833 3339 1 7 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.722 -0.052 18833 3340 1 7 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.478 0.050 18833 3341 1 7 . 1 1 38 38 VAL H H 38 9.365 9.365 9.010 0.355 18833 3342 1 7 . 1 1 39 39 LYS N N 39 133.297 133.297 130.408 2.889 18833 3343 1 7 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.492 -0.107 18833 3344 1 7 . 1 1 39 39 LYS C C 39 174.520 174.520 175.303 -0.783 18833 3345 1 7 . 1 1 39 39 LYS CA C 39 56.509 56.509 55.916 0.593 18833 3346 1 7 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.871 -0.237 18833 3347 1 7 . 1 1 39 39 LYS H H 39 9.560 9.560 8.614 0.946 18833 3348 1 7 . 1 1 40 40 ALA N N 40 118.155 118.155 121.679 -3.524 18833 3349 1 7 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.696 -0.191 18833 3350 1 7 . 1 1 40 40 ALA C C 40 174.639 174.639 174.969 -0.330 18833 3351 1 7 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.574 0.221 18833 3352 1 7 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.674 0.805 18833 3353 1 7 . 1 1 40 40 ALA H H 40 7.498 7.498 7.490 0.008 18833 3354 1 7 . 1 1 41 41 VAL N N 41 121.634 121.634 121.023 0.611 18833 3355 1 7 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.560 -0.151 18833 3356 1 7 . 1 1 41 41 VAL C C 41 175.829 175.829 175.381 0.448 18833 3357 1 7 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.569 0.735 18833 3358 1 7 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.078 -2.883 18833 3359 1 7 . 1 1 41 41 VAL H H 41 8.634 8.634 8.367 0.267 18833 3360 1 7 . 1 1 42 42 ILE N N 42 128.094 128.094 128.040 0.054 18833 3361 1 7 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.334 -0.188 18833 3362 1 7 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.307 -0.661 18833 3363 1 7 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.681 -0.676 18833 3364 1 7 . 1 1 42 42 ILE H H 42 7.944 7.944 8.878 -0.934 18833 3365 1 7 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.451 -0.000 18833 3366 1 7 . 1 1 43 43 PRO C C 43 177.234 177.234 176.731 0.503 18833 3367 1 7 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.630 0.567 18833 3368 1 7 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.460 0.385 18833 3369 1 7 . 1 1 44 44 GLN N N 44 116.825 116.825 115.869 0.956 18833 3370 1 7 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.943 -0.094 18833 3371 1 7 . 1 1 44 44 GLN C C 44 175.752 175.752 175.581 0.171 18833 3372 1 7 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.958 1.174 18833 3373 1 7 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.994 -0.520 18833 3374 1 7 . 1 1 44 44 GLN H H 44 9.345 9.345 8.769 0.576 18833 3375 1 7 . 1 1 45 45 GLY N N 45 106.186 106.186 105.358 0.828 18833 3376 1 7 . 1 1 45 45 GLY C C 45 174.374 174.374 174.121 0.253 18833 3377 1 7 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.154 0.570 18833 3378 1 7 . 1 1 45 45 GLY H H 45 7.887 7.887 7.765 0.122 18833 3379 1 7 . 1 1 46 46 ALA N N 46 120.843 120.843 123.013 -2.170 18833 3380 1 7 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.970 0.089 18833 3381 1 7 . 1 1 46 46 ALA C C 46 180.628 180.628 179.606 1.022 18833 3382 1 7 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.732 -0.697 18833 3383 1 7 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.759 -0.137 18833 3384 1 7 . 1 1 46 46 ALA H H 46 8.907 8.907 8.673 0.234 18833 3385 1 7 . 1 1 47 47 ALA N N 47 118.721 118.721 120.537 -1.816 18833 3386 1 7 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.954 0.117 18833 3387 1 7 . 1 1 47 47 ALA C C 47 180.589 180.589 179.611 0.978 18833 3388 1 7 . 1 1 47 47 ALA CA C 47 54.846 54.846 54.982 -0.136 18833 3389 1 7 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.942 0.827 18833 3390 1 7 . 1 1 47 47 ALA H H 47 7.856 7.856 8.335 -0.479 18833 3391 1 7 . 1 1 48 48 GLU N N 48 124.373 124.373 119.042 5.331 18833 3392 1 7 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.904 -0.095 18833 3393 1 7 . 1 1 48 48 GLU C C 48 178.120 178.120 178.966 -0.846 18833 3394 1 7 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.171 1.686 18833 3395 1 7 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.206 0.413 18833 3396 1 7 . 1 1 48 48 GLU H H 48 9.195 9.195 8.441 0.754 18833 3397 1 7 . 1 1 49 49 SER N N 49 113.220 113.220 114.315 -1.095 18833 3398 1 7 . 1 1 49 49 SER HA H 49 4.099 4.099 4.220 -0.121 18833 3399 1 7 . 1 1 49 49 SER C C 49 175.707 175.707 176.810 -1.103 18833 3400 1 7 . 1 1 49 49 SER CA C 49 61.168 61.168 61.341 -0.173 18833 3401 1 7 . 1 1 49 49 SER CB C 49 62.775 62.775 63.212 -0.437 18833 3402 1 7 . 1 1 49 49 SER H H 49 8.020 8.020 8.341 -0.321 18833 3403 1 7 . 1 1 50 50 ASP N N 50 120.022 120.022 119.568 0.454 18833 3404 1 7 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.461 -0.081 18833 3405 1 7 . 1 1 50 50 ASP C C 50 177.650 177.650 177.460 0.190 18833 3406 1 7 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.250 1.947 18833 3407 1 7 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.496 2.739 18833 3408 1 7 . 1 1 50 50 ASP H H 50 7.579 7.579 8.007 -0.428 18833 3409 1 7 . 1 1 51 51 GLY N N 51 102.979 102.979 107.896 -4.917 18833 3410 1 7 . 1 1 51 51 GLY C C 51 175.026 175.026 175.298 -0.272 18833 3411 1 7 . 1 1 51 51 GLY CA C 51 46.346 46.346 46.199 0.147 18833 3412 1 7 . 1 1 51 51 GLY H H 51 7.364 7.364 8.181 -0.817 18833 3413 1 7 . 1 1 52 52 ARG N N 52 117.501 117.501 119.757 -2.256 18833 3414 1 7 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.157 0.151 18833 3415 1 7 . 1 1 52 52 ARG C C 52 175.898 175.898 176.472 -0.574 18833 3416 1 7 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.990 -0.086 18833 3417 1 7 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.668 2.331 18833 3418 1 7 . 1 1 52 52 ARG H H 52 7.958 7.958 8.114 -0.156 18833 3419 1 7 . 1 1 53 53 ILE N N 53 120.028 120.028 118.153 1.875 18833 3420 1 7 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.338 -0.106 18833 3421 1 7 . 1 1 53 53 ILE C C 53 173.773 173.773 174.035 -0.262 18833 3422 1 7 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.127 1.302 18833 3423 1 7 . 1 1 53 53 ILE CB C 53 39.699 39.699 40.831 -1.132 18833 3424 1 7 . 1 1 53 53 ILE H H 53 8.223 8.223 7.238 0.985 18833 3425 1 7 . 1 1 54 54 HIS N N 54 123.681 123.681 121.670 2.011 18833 3426 1 7 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.975 -0.174 18833 3427 1 7 . 1 1 54 54 HIS C C 54 173.826 173.826 174.605 -0.779 18833 3428 1 7 . 1 1 54 54 HIS CA C 54 54.885 54.885 55.165 -0.280 18833 3429 1 7 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.315 0.184 18833 3430 1 7 . 1 1 54 54 HIS H H 54 9.073 9.073 8.586 0.487 18833 3431 1 7 . 1 1 55 55 LYS N N 55 120.814 120.814 121.115 -0.301 18833 3432 1 7 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.013 -0.403 18833 3433 1 7 . 1 1 55 55 LYS C C 55 177.014 177.014 177.325 -0.311 18833 3434 1 7 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.914 0.519 18833 3435 1 7 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.594 -0.235 18833 3436 1 7 . 1 1 55 55 LYS H H 55 8.715 8.715 8.900 -0.185 18833 3437 1 7 . 1 1 56 56 GLY N N 56 114.423 114.423 114.916 -0.493 18833 3438 1 7 . 1 1 56 56 GLY C C 56 174.469 174.469 174.096 0.373 18833 3439 1 7 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.315 -0.476 18833 3440 1 7 . 1 1 56 56 GLY H H 56 9.128 9.128 8.709 0.419 18833 3441 1 7 . 1 1 57 57 ASP N N 57 121.735 121.735 122.027 -0.292 18833 3442 1 7 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.979 -0.096 18833 3443 1 7 . 1 1 57 57 ASP C C 57 174.808 174.808 174.799 0.009 18833 3444 1 7 . 1 1 57 57 ASP CA C 57 55.827 55.827 53.773 2.054 18833 3445 1 7 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.633 -1.578 18833 3446 1 7 . 1 1 57 57 ASP H H 57 8.033 8.033 7.591 0.442 18833 3447 1 7 . 1 1 58 58 ARG N N 58 123.530 123.530 122.861 0.669 18833 3448 1 7 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.454 0.184 18833 3449 1 7 . 1 1 58 58 ARG C C 58 175.641 175.641 174.674 0.967 18833 3450 1 7 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.148 0.552 18833 3451 1 7 . 1 1 58 58 ARG CB C 58 33.631 33.631 30.820 2.811 18833 3452 1 7 . 1 1 58 58 ARG H H 58 9.097 9.097 8.510 0.587 18833 3453 1 7 . 1 1 59 59 VAL N N 59 126.202 126.202 125.650 0.552 18833 3454 1 7 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.450 -0.545 18833 3455 1 7 . 1 1 59 59 VAL C C 59 174.515 174.515 175.140 -0.625 18833 3456 1 7 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.743 0.409 18833 3457 1 7 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.814 -1.740 18833 3458 1 7 . 1 1 59 59 VAL H H 59 8.898 8.898 8.684 0.214 18833 3459 1 7 . 1 1 60 60 LEU N N 60 127.209 127.209 121.234 5.975 18833 3460 1 7 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.739 -0.419 18833 3461 1 7 . 1 1 60 60 LEU C C 60 178.352 178.352 176.097 2.255 18833 3462 1 7 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.763 1.398 18833 3463 1 7 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.207 -0.582 18833 3464 1 7 . 1 1 60 60 LEU H H 60 9.193 9.193 8.710 0.483 18833 3465 1 7 . 1 1 61 61 ALA N N 61 118.965 118.965 120.192 -1.227 18833 3466 1 7 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.378 -0.439 18833 3467 1 7 . 1 1 61 61 ALA C C 61 175.332 175.332 175.386 -0.054 18833 3468 1 7 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.243 2.049 18833 3469 1 7 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.787 -0.701 18833 3470 1 7 . 1 1 61 61 ALA H H 61 7.759 7.759 7.443 0.316 18833 3471 1 7 . 1 1 62 62 VAL N N 62 119.695 119.695 119.765 -0.070 18833 3472 1 7 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.596 -0.112 18833 3473 1 7 . 1 1 62 62 VAL C C 62 175.538 175.538 175.992 -0.454 18833 3474 1 7 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.283 -0.746 18833 3475 1 7 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.026 -0.065 18833 3476 1 7 . 1 1 62 62 VAL H H 62 8.218 8.218 8.183 0.035 18833 3477 1 7 . 1 1 63 63 ASN N N 63 128.940 128.940 128.214 0.726 18833 3478 1 7 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.354 0.217 18833 3479 1 7 . 1 1 63 63 ASN C C 63 175.155 175.155 175.613 -0.458 18833 3480 1 7 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.356 0.103 18833 3481 1 7 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.086 -1.167 18833 3482 1 7 . 1 1 63 63 ASN H H 63 10.387 10.387 9.514 0.873 18833 3483 1 7 . 1 1 64 64 GLY N N 64 103.432 103.432 102.042 1.390 18833 3484 1 7 . 1 1 64 64 GLY C C 64 173.902 173.902 174.154 -0.252 18833 3485 1 7 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.144 0.053 18833 3486 1 7 . 1 1 64 64 GLY H H 64 9.094 9.094 8.662 0.432 18833 3487 1 7 . 1 1 65 65 VAL N N 65 123.418 123.418 122.118 1.300 18833 3488 1 7 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.141 -0.165 18833 3489 1 7 . 1 1 65 65 VAL C C 65 175.675 175.675 175.391 0.284 18833 3490 1 7 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.466 0.596 18833 3491 1 7 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.587 -0.759 18833 3492 1 7 . 1 1 65 65 VAL H H 65 7.948 7.948 7.784 0.164 18833 3493 1 7 . 1 1 66 66 SER N N 66 121.122 121.122 124.585 -3.463 18833 3494 1 7 . 1 1 66 66 SER HA H 66 4.365 4.365 4.429 -0.064 18833 3495 1 7 . 1 1 66 66 SER C C 66 176.402 176.402 174.244 2.158 18833 3496 1 7 . 1 1 66 66 SER CA C 66 58.310 58.310 58.816 -0.506 18833 3497 1 7 . 1 1 66 66 SER CB C 66 63.651 63.651 63.398 0.253 18833 3498 1 7 . 1 1 66 66 SER H H 66 8.671 8.671 8.685 -0.014 18833 3499 1 7 . 1 1 67 67 LEU N N 67 125.351 125.351 126.158 -0.807 18833 3500 1 7 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.529 -0.089 18833 3501 1 7 . 1 1 67 67 LEU C C 67 176.359 176.359 176.463 -0.104 18833 3502 1 7 . 1 1 67 67 LEU CA C 67 53.867 53.867 53.946 -0.079 18833 3503 1 7 . 1 1 67 67 LEU CB C 67 40.981 40.981 40.824 0.157 18833 3504 1 7 . 1 1 67 67 LEU H H 67 8.205 8.205 8.329 -0.124 18833 3505 1 7 . 1 1 68 68 GLU N N 68 123.211 123.211 120.564 2.647 18833 3506 1 7 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.146 -0.100 18833 3507 1 7 . 1 1 68 68 GLU C C 68 177.820 177.820 177.528 0.292 18833 3508 1 7 . 1 1 68 68 GLU CA C 68 58.535 58.535 56.975 1.560 18833 3509 1 7 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.342 -0.262 18833 3510 1 7 . 1 1 68 68 GLU H H 68 8.300 8.300 8.152 0.148 18833 3511 1 7 . 1 1 69 69 GLY N N 69 115.507 115.507 112.774 2.733 18833 3512 1 7 . 1 1 69 69 GLY C C 69 173.652 173.652 174.165 -0.513 18833 3513 1 7 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.865 0.482 18833 3514 1 7 . 1 1 69 69 GLY H H 69 8.945 8.945 8.939 0.006 18833 3515 1 7 . 1 1 70 70 ALA N N 70 122.308 122.308 123.904 -1.596 18833 3516 1 7 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.416 0.074 18833 3517 1 7 . 1 1 70 70 ALA C C 70 179.583 179.583 177.304 2.279 18833 3518 1 7 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.818 0.666 18833 3519 1 7 . 1 1 70 70 ALA CB C 70 19.588 19.588 20.222 -0.634 18833 3520 1 7 . 1 1 70 70 ALA H H 70 7.882 7.882 7.230 0.652 18833 3521 1 7 . 1 1 71 71 THR N N 71 111.173 111.173 112.854 -1.681 18833 3522 1 7 . 1 1 71 71 THR HA H 71 4.526 4.526 4.495 0.031 18833 3523 1 7 . 1 1 71 71 THR C C 71 174.660 174.660 176.078 -1.418 18833 3524 1 7 . 1 1 71 71 THR CA C 71 60.732 60.732 60.787 -0.055 18833 3525 1 7 . 1 1 71 71 THR CB C 71 71.196 71.196 70.659 0.537 18833 3526 1 7 . 1 1 71 71 THR H H 71 8.185 8.185 8.459 -0.274 18833 3527 1 7 . 1 1 72 72 HIS N N 72 121.107 121.107 119.640 1.467 18833 3528 1 7 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.541 -0.540 18833 3529 1 7 . 1 1 72 72 HIS C C 72 176.702 176.702 177.518 -0.816 18833 3530 1 7 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.203 2.249 18833 3531 1 7 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.332 0.977 18833 3532 1 7 . 1 1 72 72 HIS H H 72 9.077 9.077 8.899 0.178 18833 3533 1 7 . 1 1 73 73 LYS N N 73 116.672 116.672 118.543 -1.871 18833 3534 1 7 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.909 -0.153 18833 3535 1 7 . 1 1 73 73 LYS C C 73 178.603 178.603 178.985 -0.382 18833 3536 1 7 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.504 0.518 18833 3537 1 7 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.551 0.909 18833 3538 1 7 . 1 1 73 73 LYS H H 73 8.473 8.473 7.823 0.650 18833 3539 1 7 . 1 1 74 74 GLN N N 74 116.558 116.558 118.652 -2.094 18833 3540 1 7 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.077 -0.145 18833 3541 1 7 . 1 1 74 74 GLN C C 74 179.891 179.891 178.526 1.365 18833 3542 1 7 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.749 -0.179 18833 3543 1 7 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.444 -0.119 18833 3544 1 7 . 1 1 74 74 GLN H H 74 7.568 7.568 7.727 -0.159 18833 3545 1 7 . 1 1 75 75 ALA N N 75 123.337 123.337 121.872 1.465 18833 3546 1 7 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.071 -0.277 18833 3547 1 7 . 1 1 75 75 ALA C C 75 178.309 178.309 178.937 -0.628 18833 3548 1 7 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.228 0.439 18833 3549 1 7 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.350 1.018 18833 3550 1 7 . 1 1 75 75 ALA H H 75 8.320 8.320 8.079 0.241 18833 3551 1 7 . 1 1 76 76 VAL N N 76 118.172 118.172 118.888 -0.716 18833 3552 1 7 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.711 -0.524 18833 3553 1 7 . 1 1 76 76 VAL C C 76 179.705 179.705 177.551 2.154 18833 3554 1 7 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.106 1.046 18833 3555 1 7 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.612 -0.437 18833 3556 1 7 . 1 1 76 76 VAL H H 76 8.122 8.122 7.274 0.848 18833 3557 1 7 . 1 1 77 77 CYS N N 77 116.979 116.979 118.164 -1.185 18833 3558 1 7 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.049 0.152 18833 3559 1 7 . 1 1 77 77 CYS C C 77 177.004 177.004 177.555 -0.551 18833 3560 1 7 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.320 -1.428 18833 3561 1 7 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.366 11.177 18833 3562 1 7 . 1 1 77 77 CYS H H 77 8.327 8.327 8.393 -0.066 18833 3563 1 7 . 1 1 78 78 THR N N 78 117.521 117.521 116.846 0.675 18833 3564 1 7 . 1 1 78 78 THR HA H 78 3.867 3.867 3.897 -0.030 18833 3565 1 7 . 1 1 78 78 THR C C 78 176.306 176.306 176.230 0.076 18833 3566 1 7 . 1 1 78 78 THR CA C 78 67.197 67.197 66.725 0.472 18833 3567 1 7 . 1 1 78 78 THR CB C 78 68.145 68.145 68.607 -0.462 18833 3568 1 7 . 1 1 78 78 THR H H 78 8.259 8.259 8.052 0.207 18833 3569 1 7 . 1 1 79 79 LEU N N 79 119.714 119.714 121.122 -1.408 18833 3570 1 7 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.948 -0.112 18833 3571 1 7 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.737 0.213 18833 3572 1 7 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.351 0.277 18833 3573 1 7 . 1 1 79 79 LEU H H 79 7.748 7.748 7.427 0.321 18833 3574 1 7 . 1 1 80 80 ARG N N 80 119.613 119.613 117.400 2.213 18833 3575 1 7 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.980 0.135 18833 3576 1 7 . 1 1 80 80 ARG C C 80 177.905 177.905 177.908 -0.003 18833 3577 1 7 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.090 -0.628 18833 3578 1 7 . 1 1 80 80 ARG CB C 80 30.770 30.770 30.027 0.743 18833 3579 1 7 . 1 1 80 80 ARG H H 80 7.944 7.944 7.918 0.026 18833 3580 1 7 . 1 1 81 81 ASN N N 81 119.257 119.257 113.951 5.306 18833 3581 1 7 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.835 0.126 18833 3582 1 7 . 1 1 81 81 ASN C C 81 175.030 175.030 175.497 -0.467 18833 3583 1 7 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.272 -0.466 18833 3584 1 7 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.221 -1.767 18833 3585 1 7 . 1 1 81 81 ASN H H 81 7.843 7.843 7.900 -0.057 18833 3586 1 7 . 1 1 82 82 THR N N 82 109.817 109.817 113.160 -3.343 18833 3587 1 7 . 1 1 82 82 THR HA H 82 4.391 4.391 4.511 -0.120 18833 3588 1 7 . 1 1 82 82 THR C C 82 175.114 175.114 175.538 -0.424 18833 3589 1 7 . 1 1 82 82 THR CA C 82 60.155 60.155 61.894 -1.739 18833 3590 1 7 . 1 1 82 82 THR CB C 82 72.327 72.327 70.483 1.844 18833 3591 1 7 . 1 1 82 82 THR H H 82 7.514 7.514 7.618 -0.104 18833 3592 1 7 . 1 1 83 83 GLY N N 83 109.536 109.536 107.224 2.312 18833 3593 1 7 . 1 1 83 83 GLY C C 83 173.492 173.492 174.807 -1.315 18833 3594 1 7 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.101 0.025 18833 3595 1 7 . 1 1 83 83 GLY H H 83 8.406 8.406 8.662 -0.256 18833 3596 1 7 . 1 1 84 84 GLN N N 84 117.293 117.293 116.926 0.367 18833 3597 1 7 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.129 -0.161 18833 3598 1 7 . 1 1 84 84 GLN C C 84 175.351 175.351 175.368 -0.017 18833 3599 1 7 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.542 0.970 18833 3600 1 7 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.103 -0.080 18833 3601 1 7 . 1 1 84 84 GLN H H 84 8.218 8.218 8.536 -0.318 18833 3602 1 7 . 1 1 85 85 VAL N N 85 116.238 116.238 119.010 -2.772 18833 3603 1 7 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.629 0.063 18833 3604 1 7 . 1 1 85 85 VAL C C 85 175.864 175.864 174.769 1.095 18833 3605 1 7 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.281 0.062 18833 3606 1 7 . 1 1 85 85 VAL CB C 85 33.374 33.374 34.042 -0.668 18833 3607 1 7 . 1 1 85 85 VAL H H 85 7.715 7.715 7.571 0.144 18833 3608 1 7 . 1 1 86 86 VAL N N 86 128.273 128.273 125.900 2.373 18833 3609 1 7 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.478 0.046 18833 3610 1 7 . 1 1 86 86 VAL C C 86 173.320 173.320 174.414 -1.094 18833 3611 1 7 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.376 0.410 18833 3612 1 7 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.247 -0.142 18833 3613 1 7 . 1 1 86 86 VAL H H 86 9.034 9.034 8.744 0.290 18833 3614 1 7 . 1 1 87 87 HIS N N 87 126.224 126.224 125.464 0.760 18833 3615 1 7 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.889 0.148 18833 3616 1 7 . 1 1 87 87 HIS C C 87 174.442 174.442 174.637 -0.195 18833 3617 1 7 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.794 -0.035 18833 3618 1 7 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.488 2.013 18833 3619 1 7 . 1 1 87 87 HIS H H 87 8.761 8.761 8.934 -0.173 18833 3620 1 7 . 1 1 88 88 LEU N N 88 126.604 126.604 125.089 1.515 18833 3621 1 7 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.951 0.018 18833 3622 1 7 . 1 1 88 88 LEU C C 88 173.306 173.306 174.495 -1.189 18833 3623 1 7 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.559 0.090 18833 3624 1 7 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.401 -0.113 18833 3625 1 7 . 1 1 88 88 LEU H H 88 9.045 9.045 9.322 -0.277 18833 3626 1 7 . 1 1 89 89 LEU N N 89 124.501 124.501 124.252 0.249 18833 3627 1 7 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.774 -0.053 18833 3628 1 7 . 1 1 89 89 LEU C C 89 175.180 175.180 174.313 0.867 18833 3629 1 7 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.378 0.360 18833 3630 1 7 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.912 0.454 18833 3631 1 7 . 1 1 89 89 LEU H H 89 7.977 7.977 8.664 -0.687 18833 3632 1 7 . 1 1 90 90 LEU N N 90 127.520 127.520 126.026 1.494 18833 3633 1 7 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.980 0.309 18833 3634 1 7 . 1 1 90 90 LEU C C 90 173.616 173.616 175.163 -1.547 18833 3635 1 7 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.743 0.412 18833 3636 1 7 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.278 -0.258 18833 3637 1 7 . 1 1 90 90 LEU H H 90 8.896 8.896 8.484 0.412 18833 3638 1 7 . 1 1 91 91 GLU N N 91 118.964 118.964 120.699 -1.735 18833 3639 1 7 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.137 -0.051 18833 3640 1 7 . 1 1 91 91 GLU C C 91 176.652 176.652 176.009 0.643 18833 3641 1 7 . 1 1 91 91 GLU CA C 91 53.818 53.818 55.046 -1.228 18833 3642 1 7 . 1 1 91 91 GLU CB C 91 33.906 33.906 32.962 0.944 18833 3643 1 7 . 1 1 91 91 GLU H H 91 8.825 8.825 8.137 0.688 18833 3644 1 7 . 1 1 92 92 LYS N N 92 128.805 128.805 123.622 5.183 18833 3645 1 7 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.369 -0.000 18833 3646 1 7 . 1 1 92 92 LYS C C 92 178.011 178.011 176.953 1.058 18833 3647 1 7 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.739 -0.398 18833 3648 1 7 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.146 -1.077 18833 3649 1 7 . 1 1 92 92 LYS H H 92 9.333 9.333 9.013 0.320 18833 3650 1 7 . 1 1 93 93 GLY N N 93 117.774 117.774 107.161 10.613 18833 3651 1 7 . 1 1 93 93 GLY C C 93 173.157 173.157 173.391 -0.234 18833 3652 1 7 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.703 0.472 18833 3653 1 7 . 1 1 93 93 GLY H H 93 9.735 9.735 8.611 1.124 18833 3654 1 7 . 1 1 94 94 GLN N N 94 116.912 116.912 118.595 -1.683 18833 3655 1 7 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.836 -0.572 18833 3656 1 7 . 1 1 94 94 GLN C C 94 175.955 175.955 175.539 0.416 18833 3657 1 7 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.028 0.473 18833 3658 1 7 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.990 -0.272 18833 3659 1 7 . 1 1 94 94 GLN H H 94 8.243 8.243 8.092 0.151 18833 3660 1 7 . 1 1 95 95 SER N N 95 118.157 118.157 117.616 0.541 18833 3661 1 7 . 1 1 95 95 SER HA H 95 4.662 4.662 4.869 -0.207 18833 3662 1 7 . 1 1 95 95 SER CA C 95 56.615 56.615 56.495 0.120 18833 3663 1 7 . 1 1 95 95 SER CB C 95 63.203 63.203 62.631 0.572 18833 3664 1 7 . 1 1 95 95 SER H H 95 8.396 8.396 8.303 0.093 18833 3665 1 7 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.530 -0.053 18833 3666 1 7 . 1 1 96 96 PRO C C 96 176.303 176.303 176.661 -0.358 18833 3667 1 7 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.914 0.600 18833 3668 1 7 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.148 -0.219 18833 3669 1 8 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.434 0.038 18833 3670 1 8 . 1 1 2 2 PRO C C 2 175.867 175.867 176.110 -0.243 18833 3671 1 8 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.108 0.732 18833 3672 1 8 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.349 -0.036 18833 3673 1 8 . 1 1 3 3 LYS N N 3 124.698 124.698 119.533 5.165 18833 3674 1 8 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.592 0.015 18833 3675 1 8 . 1 1 3 3 LYS CA C 3 53.607 53.607 52.874 0.733 18833 3676 1 8 . 1 1 3 3 LYS CB C 3 31.587 31.587 31.497 0.090 18833 3677 1 8 . 1 1 3 3 LYS H H 3 8.933 8.933 8.349 0.584 18833 3678 1 8 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.283 -0.342 18833 3679 1 8 . 1 1 4 4 PRO C C 4 177.504 177.504 177.245 0.259 18833 3680 1 8 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.395 0.117 18833 3681 1 8 . 1 1 4 4 PRO CB C 4 31.670 31.670 30.844 0.826 18833 3682 1 8 . 1 1 5 5 GLY N N 5 113.652 113.652 112.303 1.349 18833 3683 1 8 . 1 1 5 5 GLY C C 5 174.146 174.146 173.506 0.640 18833 3684 1 8 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.734 0.338 18833 3685 1 8 . 1 1 5 5 GLY H H 5 9.014 9.014 8.493 0.521 18833 3686 1 8 . 1 1 6 6 ASP N N 6 121.766 121.766 120.932 0.834 18833 3687 1 8 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.833 -0.162 18833 3688 1 8 . 1 1 6 6 ASP C C 6 175.762 175.762 175.262 0.500 18833 3689 1 8 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.929 1.970 18833 3690 1 8 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.534 -1.128 18833 3691 1 8 . 1 1 6 6 ASP H H 6 8.489 8.489 8.077 0.412 18833 3692 1 8 . 1 1 7 7 ILE N N 7 121.794 121.794 124.401 -2.607 18833 3693 1 8 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.787 0.546 18833 3694 1 8 . 1 1 7 7 ILE C C 7 176.854 176.854 175.578 1.276 18833 3695 1 8 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.299 -0.667 18833 3696 1 8 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.982 -0.767 18833 3697 1 8 . 1 1 7 7 ILE H H 7 8.368 8.368 8.522 -0.154 18833 3698 1 8 . 1 1 8 8 PHE N N 8 125.873 125.873 124.781 1.092 18833 3699 1 8 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.972 0.092 18833 3700 1 8 . 1 1 8 8 PHE C C 8 171.167 171.167 172.983 -1.816 18833 3701 1 8 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.380 0.170 18833 3702 1 8 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.470 -0.137 18833 3703 1 8 . 1 1 8 8 PHE H H 8 9.498 9.498 8.807 0.691 18833 3704 1 8 . 1 1 9 9 GLU N N 9 119.065 119.065 121.363 -2.298 18833 3705 1 8 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.925 0.290 18833 3706 1 8 . 1 1 9 9 GLU C C 9 176.019 176.019 175.581 0.438 18833 3707 1 8 . 1 1 9 9 GLU CA C 9 53.989 53.989 54.467 -0.478 18833 3708 1 8 . 1 1 9 9 GLU CB C 9 33.411 33.411 32.867 0.544 18833 3709 1 8 . 1 1 9 9 GLU H H 9 8.502 8.502 8.469 0.033 18833 3710 1 8 . 1 1 10 10 VAL N N 10 120.078 120.078 124.683 -4.605 18833 3711 1 8 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.369 -0.234 18833 3712 1 8 . 1 1 10 10 VAL C C 10 173.177 173.177 174.022 -0.845 18833 3713 1 8 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.846 0.267 18833 3714 1 8 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.059 1.722 18833 3715 1 8 . 1 1 10 10 VAL H H 10 8.581 8.581 9.084 -0.503 18833 3716 1 8 . 1 1 11 11 GLU N N 11 126.482 126.482 127.138 -0.656 18833 3717 1 8 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.003 -0.004 18833 3718 1 8 . 1 1 11 11 GLU C C 11 174.618 174.618 174.831 -0.213 18833 3719 1 8 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.476 0.338 18833 3720 1 8 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.232 0.776 18833 3721 1 8 . 1 1 11 11 GLU H H 11 7.810 7.810 8.545 -0.735 18833 3722 1 8 . 1 1 12 12 LEU N N 12 126.093 126.093 126.419 -0.326 18833 3723 1 8 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.699 -0.045 18833 3724 1 8 . 1 1 12 12 LEU C C 12 174.013 174.013 175.247 -1.234 18833 3725 1 8 . 1 1 12 12 LEU CA C 12 53.174 53.174 52.991 0.183 18833 3726 1 8 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.607 1.259 18833 3727 1 8 . 1 1 12 12 LEU H H 12 8.888 8.888 8.774 0.114 18833 3728 1 8 . 1 1 13 13 ALA N N 13 126.137 126.137 129.262 -3.125 18833 3729 1 8 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.780 0.321 18833 3730 1 8 . 1 1 13 13 ALA C C 13 177.290 177.290 176.796 0.494 18833 3731 1 8 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.175 -1.292 18833 3732 1 8 . 1 1 13 13 ALA CB C 13 19.409 19.409 19.903 -0.494 18833 3733 1 8 . 1 1 13 13 ALA H H 13 8.494 8.494 8.642 -0.148 18833 3734 1 8 . 1 1 14 14 LYS N N 14 120.270 120.270 123.797 -3.527 18833 3735 1 8 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.348 -0.550 18833 3736 1 8 . 1 1 14 14 LYS C C 14 176.313 176.313 176.567 -0.254 18833 3737 1 8 . 1 1 14 14 LYS CA C 14 57.798 57.798 54.789 3.009 18833 3738 1 8 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.569 2.344 18833 3739 1 8 . 1 1 14 14 LYS H H 14 8.486 8.486 8.808 -0.322 18833 3740 1 8 . 1 1 15 15 ASN N N 15 117.746 117.746 117.384 0.362 18833 3741 1 8 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.416 0.408 18833 3742 1 8 . 1 1 15 15 ASN CA C 15 52.779 52.779 54.321 -1.542 18833 3743 1 8 . 1 1 15 15 ASN CB C 15 40.122 40.122 36.910 3.212 18833 3744 1 8 . 1 1 15 15 ASN H H 15 8.139 8.139 7.592 0.547 18833 3745 1 8 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.349 -0.048 18833 3746 1 8 . 1 1 16 16 ASP C C 16 175.367 175.367 175.340 0.027 18833 3747 1 8 . 1 1 16 16 ASP CA C 16 55.452 55.452 55.848 -0.396 18833 3748 1 8 . 1 1 16 16 ASP CB C 16 39.456 39.456 40.058 -0.602 18833 3749 1 8 . 1 1 17 17 ASN N N 17 111.793 111.793 117.320 -5.527 18833 3750 1 8 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.891 -0.511 18833 3751 1 8 . 1 1 17 17 ASN C C 17 174.599 174.599 174.356 0.243 18833 3752 1 8 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.640 1.153 18833 3753 1 8 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.815 -2.099 18833 3754 1 8 . 1 1 17 17 ASN H H 17 8.698 8.698 8.613 0.085 18833 3755 1 8 . 1 1 18 18 SER N N 18 112.321 112.321 118.086 -5.765 18833 3756 1 8 . 1 1 18 18 SER HA H 18 4.827 4.827 4.601 0.226 18833 3757 1 8 . 1 1 18 18 SER CA C 18 56.795 56.795 57.987 -1.192 18833 3758 1 8 . 1 1 18 18 SER CB C 18 64.855 64.855 63.801 1.054 18833 3759 1 8 . 1 1 18 18 SER H H 18 7.989 7.989 8.366 -0.377 18833 3760 1 8 . 1 1 19 19 LEU N N 19 127.097 127.097 125.401 1.696 18833 3761 1 8 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.269 -0.103 18833 3762 1 8 . 1 1 19 19 LEU C C 19 177.329 177.329 178.227 -0.898 18833 3763 1 8 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.135 0.378 18833 3764 1 8 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.043 1.276 18833 3765 1 8 . 1 1 19 19 LEU H H 19 9.247 9.247 8.570 0.677 18833 3766 1 8 . 1 1 20 20 GLY N N 20 104.340 104.340 105.478 -1.138 18833 3767 1 8 . 1 1 20 20 GLY C C 20 175.984 175.984 174.161 1.823 18833 3768 1 8 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.399 1.400 18833 3769 1 8 . 1 1 20 20 GLY H H 20 8.664 8.664 8.500 0.164 18833 3770 1 8 . 1 1 21 21 ILE N N 21 115.279 115.279 117.442 -2.163 18833 3771 1 8 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.018 -0.022 18833 3772 1 8 . 1 1 21 21 ILE C C 21 175.972 175.972 175.412 0.560 18833 3773 1 8 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.434 0.347 18833 3774 1 8 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.834 0.788 18833 3775 1 8 . 1 1 21 21 ILE H H 21 7.614 7.614 7.695 -0.081 18833 3776 1 8 . 1 1 22 22 CYS N N 22 122.210 122.210 121.961 0.249 18833 3777 1 8 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.985 0.286 18833 3778 1 8 . 1 1 22 22 CYS C C 22 175.904 175.904 172.791 3.113 18833 3779 1 8 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.292 -5.347 18833 3780 1 8 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.398 4.794 18833 3781 1 8 . 1 1 22 22 CYS H H 22 8.506 8.506 8.568 -0.062 18833 3782 1 8 . 1 1 23 23 VAL N N 23 117.739 117.739 118.508 -0.769 18833 3783 1 8 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.361 0.106 18833 3784 1 8 . 1 1 23 23 VAL C C 23 173.821 173.821 173.864 -0.043 18833 3785 1 8 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.175 -0.355 18833 3786 1 8 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.726 0.029 18833 3787 1 8 . 1 1 23 23 VAL H H 23 9.203 9.203 8.403 0.800 18833 3788 1 8 . 1 1 24 24 THR N N 24 114.753 114.753 114.293 0.460 18833 3789 1 8 . 1 1 24 24 THR HA H 24 4.649 4.649 4.778 -0.129 18833 3790 1 8 . 1 1 24 24 THR C C 24 171.786 171.786 172.993 -1.207 18833 3791 1 8 . 1 1 24 24 THR CA C 24 59.529 59.529 59.701 -0.172 18833 3792 1 8 . 1 1 24 24 THR CB C 24 70.563 70.563 70.183 0.380 18833 3793 1 8 . 1 1 24 24 THR H H 24 9.237 9.237 8.649 0.588 18833 3794 1 8 . 1 1 25 25 GLY N N 25 111.927 111.927 109.763 2.164 18833 3795 1 8 . 1 1 25 25 GLY C C 25 174.099 174.099 172.729 1.370 18833 3796 1 8 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.870 -0.258 18833 3797 1 8 . 1 1 25 25 GLY H H 25 8.291 8.291 8.664 -0.373 18833 3798 1 8 . 1 1 26 26 GLY N N 26 107.140 107.140 107.350 -0.210 18833 3799 1 8 . 1 1 26 26 GLY C C 26 176.180 176.180 175.553 0.627 18833 3800 1 8 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.252 -1.449 18833 3801 1 8 . 1 1 26 26 GLY H H 26 7.545 7.545 8.153 -0.608 18833 3802 1 8 . 1 1 27 27 VAL N N 27 116.837 116.837 122.503 -5.666 18833 3803 1 8 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.968 0.158 18833 3804 1 8 . 1 1 27 27 VAL C C 27 175.764 175.764 175.809 -0.045 18833 3805 1 8 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.342 1.453 18833 3806 1 8 . 1 1 27 27 VAL CB C 27 31.983 31.983 31.097 0.886 18833 3807 1 8 . 1 1 27 27 VAL H H 27 8.091 8.091 8.383 -0.292 18833 3808 1 8 . 1 1 28 28 ASN N N 28 117.997 117.997 117.569 0.428 18833 3809 1 8 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.369 0.440 18833 3810 1 8 . 1 1 28 28 ASN C C 28 174.860 174.860 174.178 0.682 18833 3811 1 8 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.588 -0.133 18833 3812 1 8 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.998 0.749 18833 3813 1 8 . 1 1 28 28 ASN H H 28 8.795 8.795 8.109 0.686 18833 3814 1 8 . 1 1 29 29 THR N N 29 111.381 111.381 113.575 -2.194 18833 3815 1 8 . 1 1 29 29 THR HA H 29 4.689 4.689 4.516 0.173 18833 3816 1 8 . 1 1 29 29 THR CA C 29 61.526 61.526 60.300 1.226 18833 3817 1 8 . 1 1 29 29 THR CB C 29 70.889 70.889 70.013 0.876 18833 3818 1 8 . 1 1 29 29 THR H H 29 7.858 7.858 8.115 -0.257 18833 3819 1 8 . 1 1 30 30 SER N N 30 114.070 114.070 116.011 -1.941 18833 3820 1 8 . 1 1 30 30 SER HA H 30 4.535 4.535 4.159 0.376 18833 3821 1 8 . 1 1 30 30 SER C C 30 174.879 174.879 174.049 0.830 18833 3822 1 8 . 1 1 30 30 SER CA C 30 58.380 58.380 60.116 -1.736 18833 3823 1 8 . 1 1 30 30 SER CB C 30 63.532 63.532 63.069 0.463 18833 3824 1 8 . 1 1 30 30 SER H H 30 8.433 8.433 8.736 -0.303 18833 3825 1 8 . 1 1 31 31 VAL N N 31 118.337 118.337 115.335 3.002 18833 3826 1 8 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.142 -0.051 18833 3827 1 8 . 1 1 31 31 VAL C C 31 176.528 176.528 175.862 0.666 18833 3828 1 8 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.323 0.822 18833 3829 1 8 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.201 0.299 18833 3830 1 8 . 1 1 31 31 VAL H H 31 7.588 7.588 7.429 0.159 18833 3831 1 8 . 1 1 32 32 ARG N N 32 124.670 124.670 126.900 -2.230 18833 3832 1 8 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.194 -0.183 18833 3833 1 8 . 1 1 32 32 ARG CA C 32 57.972 57.972 57.692 0.280 18833 3834 1 8 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.096 -0.521 18833 3835 1 8 . 1 1 32 32 ARG H H 32 8.511 8.511 8.789 -0.278 18833 3836 1 8 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.672 -0.099 18833 3837 1 8 . 1 1 33 33 HIS C C 33 175.064 175.064 175.936 -0.872 18833 3838 1 8 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.685 0.146 18833 3839 1 8 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.850 -0.732 18833 3840 1 8 . 1 1 34 34 GLY N N 34 109.531 109.531 108.375 1.156 18833 3841 1 8 . 1 1 34 34 GLY C C 34 174.582 174.582 174.726 -0.144 18833 3842 1 8 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.693 0.888 18833 3843 1 8 . 1 1 34 34 GLY H H 34 8.471 8.471 7.878 0.593 18833 3844 1 8 . 1 1 35 35 GLY N N 35 105.151 105.151 107.424 -2.273 18833 3845 1 8 . 1 1 35 35 GLY C C 35 170.505 170.505 173.969 -3.464 18833 3846 1 8 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.698 0.879 18833 3847 1 8 . 1 1 35 35 GLY H H 35 7.833 7.833 7.850 -0.017 18833 3848 1 8 . 1 1 36 36 ILE N N 36 119.676 119.676 121.417 -1.741 18833 3849 1 8 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.639 0.073 18833 3850 1 8 . 1 1 36 36 ILE C C 36 174.641 174.641 175.206 -0.565 18833 3851 1 8 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.047 -1.963 18833 3852 1 8 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.834 -1.102 18833 3853 1 8 . 1 1 36 36 ILE H H 36 8.350 8.350 7.600 0.750 18833 3854 1 8 . 1 1 37 37 TYR N N 37 123.307 123.307 126.099 -2.792 18833 3855 1 8 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.157 0.150 18833 3856 1 8 . 1 1 37 37 TYR C C 37 176.165 176.165 175.928 0.237 18833 3857 1 8 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.384 -0.537 18833 3858 1 8 . 1 1 37 37 TYR CB C 37 42.329 42.329 42.203 0.126 18833 3859 1 8 . 1 1 37 37 TYR H H 37 8.892 8.892 9.141 -0.249 18833 3860 1 8 . 1 1 38 38 VAL N N 38 120.580 120.580 122.161 -1.581 18833 3861 1 8 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.049 -0.313 18833 3862 1 8 . 1 1 38 38 VAL C C 38 175.983 175.983 175.708 0.275 18833 3863 1 8 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.739 -0.069 18833 3864 1 8 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.623 -0.095 18833 3865 1 8 . 1 1 38 38 VAL H H 38 9.365 9.365 9.017 0.348 18833 3866 1 8 . 1 1 39 39 LYS N N 39 133.297 133.297 128.244 5.053 18833 3867 1 8 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.439 -0.054 18833 3868 1 8 . 1 1 39 39 LYS C C 39 174.520 174.520 175.133 -0.613 18833 3869 1 8 . 1 1 39 39 LYS CA C 39 56.509 56.509 55.842 0.667 18833 3870 1 8 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.657 -0.023 18833 3871 1 8 . 1 1 39 39 LYS H H 39 9.560 9.560 8.845 0.715 18833 3872 1 8 . 1 1 40 40 ALA N N 40 118.155 118.155 119.980 -1.825 18833 3873 1 8 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.601 -0.096 18833 3874 1 8 . 1 1 40 40 ALA C C 40 174.639 174.639 174.716 -0.077 18833 3875 1 8 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.394 0.401 18833 3876 1 8 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.444 1.036 18833 3877 1 8 . 1 1 40 40 ALA H H 40 7.498 7.498 7.366 0.132 18833 3878 1 8 . 1 1 41 41 VAL N N 41 121.634 121.634 120.031 1.603 18833 3879 1 8 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.516 -0.107 18833 3880 1 8 . 1 1 41 41 VAL C C 41 175.829 175.829 175.077 0.752 18833 3881 1 8 . 1 1 41 41 VAL CA C 41 61.304 61.304 61.128 0.176 18833 3882 1 8 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.995 -2.800 18833 3883 1 8 . 1 1 41 41 VAL H H 41 8.634 8.634 8.322 0.312 18833 3884 1 8 . 1 1 42 42 ILE N N 42 128.094 128.094 127.664 0.430 18833 3885 1 8 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.347 -0.201 18833 3886 1 8 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.060 -0.414 18833 3887 1 8 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.342 -0.337 18833 3888 1 8 . 1 1 42 42 ILE H H 42 7.944 7.944 8.713 -0.769 18833 3889 1 8 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.387 0.064 18833 3890 1 8 . 1 1 43 43 PRO C C 43 177.234 177.234 176.723 0.511 18833 3891 1 8 . 1 1 43 43 PRO CA C 43 64.197 64.197 64.040 0.157 18833 3892 1 8 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.671 0.174 18833 3893 1 8 . 1 1 44 44 GLN N N 44 116.825 116.825 116.390 0.435 18833 3894 1 8 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.948 -0.099 18833 3895 1 8 . 1 1 44 44 GLN C C 44 175.752 175.752 175.532 0.220 18833 3896 1 8 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.854 1.278 18833 3897 1 8 . 1 1 44 44 GLN CB C 44 26.474 26.474 27.108 -0.634 18833 3898 1 8 . 1 1 44 44 GLN H H 44 9.345 9.345 8.562 0.783 18833 3899 1 8 . 1 1 45 45 GLY N N 45 106.186 106.186 105.161 1.025 18833 3900 1 8 . 1 1 45 45 GLY C C 45 174.374 174.374 173.913 0.461 18833 3901 1 8 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.057 0.667 18833 3902 1 8 . 1 1 45 45 GLY H H 45 7.887 7.887 7.967 -0.080 18833 3903 1 8 . 1 1 46 46 ALA N N 46 120.843 120.843 123.020 -2.177 18833 3904 1 8 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.025 0.034 18833 3905 1 8 . 1 1 46 46 ALA C C 46 180.628 180.628 179.514 1.114 18833 3906 1 8 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.660 -0.625 18833 3907 1 8 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.874 -0.252 18833 3908 1 8 . 1 1 46 46 ALA H H 46 8.907 8.907 8.483 0.424 18833 3909 1 8 . 1 1 47 47 ALA N N 47 118.721 118.721 120.883 -2.162 18833 3910 1 8 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.961 0.110 18833 3911 1 8 . 1 1 47 47 ALA C C 47 180.589 180.589 179.489 1.100 18833 3912 1 8 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.222 -0.376 18833 3913 1 8 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.839 0.930 18833 3914 1 8 . 1 1 47 47 ALA H H 47 7.856 7.856 8.376 -0.520 18833 3915 1 8 . 1 1 48 48 GLU N N 48 124.373 124.373 119.155 5.218 18833 3916 1 8 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.999 -0.190 18833 3917 1 8 . 1 1 48 48 GLU C C 48 178.120 178.120 179.085 -0.965 18833 3918 1 8 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.904 0.953 18833 3919 1 8 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.081 0.538 18833 3920 1 8 . 1 1 48 48 GLU H H 48 9.195 9.195 8.689 0.506 18833 3921 1 8 . 1 1 49 49 SER N N 49 113.220 113.220 114.236 -1.016 18833 3922 1 8 . 1 1 49 49 SER HA H 49 4.099 4.099 4.193 -0.094 18833 3923 1 8 . 1 1 49 49 SER C C 49 175.707 175.707 176.334 -0.627 18833 3924 1 8 . 1 1 49 49 SER CA C 49 61.168 61.168 60.939 0.229 18833 3925 1 8 . 1 1 49 49 SER CB C 49 62.775 62.775 63.258 -0.483 18833 3926 1 8 . 1 1 49 49 SER H H 49 8.020 8.020 8.319 -0.299 18833 3927 1 8 . 1 1 50 50 ASP N N 50 120.022 120.022 119.691 0.331 18833 3928 1 8 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.467 -0.087 18833 3929 1 8 . 1 1 50 50 ASP C C 50 177.650 177.650 177.747 -0.097 18833 3930 1 8 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.602 1.595 18833 3931 1 8 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.958 2.277 18833 3932 1 8 . 1 1 50 50 ASP H H 50 7.579 7.579 7.884 -0.305 18833 3933 1 8 . 1 1 51 51 GLY N N 51 102.979 102.979 107.662 -4.683 18833 3934 1 8 . 1 1 51 51 GLY C C 51 175.026 175.026 175.723 -0.697 18833 3935 1 8 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.313 1.033 18833 3936 1 8 . 1 1 51 51 GLY H H 51 7.364 7.364 8.456 -1.092 18833 3937 1 8 . 1 1 52 52 ARG N N 52 117.501 117.501 120.592 -3.091 18833 3938 1 8 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.291 0.017 18833 3939 1 8 . 1 1 52 52 ARG C C 52 175.898 175.898 176.203 -0.305 18833 3940 1 8 . 1 1 52 52 ARG CA C 52 57.904 57.904 58.146 -0.242 18833 3941 1 8 . 1 1 52 52 ARG CB C 52 32.999 32.999 31.067 1.932 18833 3942 1 8 . 1 1 52 52 ARG H H 52 7.958 7.958 7.926 0.032 18833 3943 1 8 . 1 1 53 53 ILE N N 53 120.028 120.028 117.471 2.557 18833 3944 1 8 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.147 0.085 18833 3945 1 8 . 1 1 53 53 ILE C C 53 173.773 173.773 174.828 -1.055 18833 3946 1 8 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.626 0.803 18833 3947 1 8 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.371 0.328 18833 3948 1 8 . 1 1 53 53 ILE H H 53 8.223 8.223 7.986 0.237 18833 3949 1 8 . 1 1 54 54 HIS N N 54 123.681 123.681 121.596 2.085 18833 3950 1 8 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.987 -0.186 18833 3951 1 8 . 1 1 54 54 HIS C C 54 173.826 173.826 174.093 -0.267 18833 3952 1 8 . 1 1 54 54 HIS CA C 54 54.885 54.885 53.621 1.264 18833 3953 1 8 . 1 1 54 54 HIS CB C 54 33.499 33.499 31.681 1.818 18833 3954 1 8 . 1 1 54 54 HIS H H 54 9.073 9.073 8.018 1.055 18833 3955 1 8 . 1 1 55 55 LYS N N 55 120.814 120.814 121.013 -0.199 18833 3956 1 8 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.071 -0.461 18833 3957 1 8 . 1 1 55 55 LYS C C 55 177.014 177.014 177.328 -0.314 18833 3958 1 8 . 1 1 55 55 LYS CA C 55 58.433 58.433 58.002 0.431 18833 3959 1 8 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.941 -0.581 18833 3960 1 8 . 1 1 55 55 LYS H H 55 8.715 8.715 8.890 -0.175 18833 3961 1 8 . 1 1 56 56 GLY N N 56 114.423 114.423 114.793 -0.370 18833 3962 1 8 . 1 1 56 56 GLY C C 56 174.469 174.469 174.217 0.252 18833 3963 1 8 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.411 -0.573 18833 3964 1 8 . 1 1 56 56 GLY H H 56 9.128 9.128 8.611 0.517 18833 3965 1 8 . 1 1 57 57 ASP N N 57 121.735 121.735 121.111 0.624 18833 3966 1 8 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.672 0.211 18833 3967 1 8 . 1 1 57 57 ASP C C 57 174.808 174.808 174.979 -0.171 18833 3968 1 8 . 1 1 57 57 ASP CA C 57 55.827 55.827 54.137 1.690 18833 3969 1 8 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.005 -0.950 18833 3970 1 8 . 1 1 57 57 ASP H H 57 8.033 8.033 7.662 0.371 18833 3971 1 8 . 1 1 58 58 ARG N N 58 123.530 123.530 122.938 0.592 18833 3972 1 8 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.429 0.209 18833 3973 1 8 . 1 1 58 58 ARG C C 58 175.641 175.641 174.723 0.918 18833 3974 1 8 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.580 0.121 18833 3975 1 8 . 1 1 58 58 ARG CB C 58 33.631 33.631 30.680 2.951 18833 3976 1 8 . 1 1 58 58 ARG H H 58 9.097 9.097 8.585 0.512 18833 3977 1 8 . 1 1 59 59 VAL N N 59 126.202 126.202 125.163 1.039 18833 3978 1 8 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.366 -0.461 18833 3979 1 8 . 1 1 59 59 VAL C C 59 174.515 174.515 175.204 -0.689 18833 3980 1 8 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.722 0.430 18833 3981 1 8 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.002 -1.928 18833 3982 1 8 . 1 1 59 59 VAL H H 59 8.898 8.898 8.611 0.287 18833 3983 1 8 . 1 1 60 60 LEU N N 60 127.209 127.209 122.040 5.169 18833 3984 1 8 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.766 -0.446 18833 3985 1 8 . 1 1 60 60 LEU C C 60 178.352 178.352 176.279 2.073 18833 3986 1 8 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.818 1.343 18833 3987 1 8 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.371 -0.746 18833 3988 1 8 . 1 1 60 60 LEU H H 60 9.193 9.193 8.841 0.352 18833 3989 1 8 . 1 1 61 61 ALA N N 61 118.965 118.965 120.305 -1.340 18833 3990 1 8 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.104 -0.165 18833 3991 1 8 . 1 1 61 61 ALA C C 61 175.332 175.332 175.184 0.148 18833 3992 1 8 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.429 1.863 18833 3993 1 8 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.860 -0.774 18833 3994 1 8 . 1 1 61 61 ALA H H 61 7.759 7.759 7.467 0.292 18833 3995 1 8 . 1 1 62 62 VAL N N 62 119.695 119.695 119.036 0.659 18833 3996 1 8 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.665 -0.181 18833 3997 1 8 . 1 1 62 62 VAL C C 62 175.538 175.538 175.949 -0.411 18833 3998 1 8 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.136 -0.599 18833 3999 1 8 . 1 1 62 62 VAL CB C 62 33.961 33.961 33.458 0.503 18833 4000 1 8 . 1 1 62 62 VAL H H 62 8.218 8.218 8.429 -0.211 18833 4001 1 8 . 1 1 63 63 ASN N N 63 128.940 128.940 126.414 2.526 18833 4002 1 8 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.388 0.183 18833 4003 1 8 . 1 1 63 63 ASN C C 63 175.155 175.155 175.544 -0.389 18833 4004 1 8 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.071 0.388 18833 4005 1 8 . 1 1 63 63 ASN CB C 63 36.919 36.919 37.947 -1.028 18833 4006 1 8 . 1 1 63 63 ASN H H 63 10.387 10.387 8.883 1.504 18833 4007 1 8 . 1 1 64 64 GLY N N 64 103.432 103.432 101.773 1.659 18833 4008 1 8 . 1 1 64 64 GLY C C 64 173.902 173.902 173.791 0.111 18833 4009 1 8 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.053 0.144 18833 4010 1 8 . 1 1 64 64 GLY H H 64 9.094 9.094 8.261 0.833 18833 4011 1 8 . 1 1 65 65 VAL N N 65 123.418 123.418 120.830 2.588 18833 4012 1 8 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.264 -0.288 18833 4013 1 8 . 1 1 65 65 VAL C C 65 175.675 175.675 175.868 -0.193 18833 4014 1 8 . 1 1 65 65 VAL CA C 65 62.062 62.062 60.811 1.251 18833 4015 1 8 . 1 1 65 65 VAL CB C 65 31.829 31.829 33.018 -1.189 18833 4016 1 8 . 1 1 65 65 VAL H H 65 7.948 7.948 7.352 0.596 18833 4017 1 8 . 1 1 66 66 SER N N 66 121.122 121.122 124.268 -3.146 18833 4018 1 8 . 1 1 66 66 SER HA H 66 4.365 4.365 4.358 0.007 18833 4019 1 8 . 1 1 66 66 SER C C 66 176.402 176.402 174.299 2.103 18833 4020 1 8 . 1 1 66 66 SER CA C 66 58.310 58.310 58.837 -0.527 18833 4021 1 8 . 1 1 66 66 SER CB C 66 63.651 63.651 63.219 0.432 18833 4022 1 8 . 1 1 66 66 SER H H 66 8.671 8.671 8.826 -0.155 18833 4023 1 8 . 1 1 67 67 LEU N N 67 125.351 125.351 117.612 7.739 18833 4024 1 8 . 1 1 67 67 LEU HA H 67 4.440 4.440 3.921 0.519 18833 4025 1 8 . 1 1 67 67 LEU C C 67 176.359 176.359 175.600 0.759 18833 4026 1 8 . 1 1 67 67 LEU CA C 67 53.867 53.867 55.014 -1.147 18833 4027 1 8 . 1 1 67 67 LEU CB C 67 40.981 40.981 40.475 0.506 18833 4028 1 8 . 1 1 67 67 LEU H H 67 8.205 8.205 8.140 0.065 18833 4029 1 8 . 1 1 68 68 GLU N N 68 123.211 123.211 119.457 3.754 18833 4030 1 8 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.281 -0.235 18833 4031 1 8 . 1 1 68 68 GLU C C 68 177.820 177.820 177.759 0.061 18833 4032 1 8 . 1 1 68 68 GLU CA C 68 58.535 58.535 56.565 1.970 18833 4033 1 8 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.649 -0.569 18833 4034 1 8 . 1 1 68 68 GLU H H 68 8.300 8.300 8.106 0.194 18833 4035 1 8 . 1 1 69 69 GLY N N 69 115.507 115.507 112.419 3.088 18833 4036 1 8 . 1 1 69 69 GLY C C 69 173.652 173.652 174.295 -0.643 18833 4037 1 8 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.775 0.572 18833 4038 1 8 . 1 1 69 69 GLY H H 69 8.945 8.945 9.015 -0.070 18833 4039 1 8 . 1 1 70 70 ALA N N 70 122.308 122.308 123.705 -1.397 18833 4040 1 8 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.382 0.108 18833 4041 1 8 . 1 1 70 70 ALA C C 70 179.583 179.583 176.649 2.934 18833 4042 1 8 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.201 0.283 18833 4043 1 8 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.780 -0.192 18833 4044 1 8 . 1 1 70 70 ALA H H 70 7.882 7.882 7.518 0.364 18833 4045 1 8 . 1 1 71 71 THR N N 71 111.173 111.173 111.968 -0.795 18833 4046 1 8 . 1 1 71 71 THR HA H 71 4.526 4.526 4.408 0.118 18833 4047 1 8 . 1 1 71 71 THR C C 71 174.660 174.660 175.819 -1.159 18833 4048 1 8 . 1 1 71 71 THR CA C 71 60.732 60.732 60.933 -0.201 18833 4049 1 8 . 1 1 71 71 THR CB C 71 71.196 71.196 70.796 0.400 18833 4050 1 8 . 1 1 71 71 THR H H 71 8.185 8.185 8.070 0.115 18833 4051 1 8 . 1 1 72 72 HIS N N 72 121.107 121.107 121.171 -0.064 18833 4052 1 8 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.268 -0.267 18833 4053 1 8 . 1 1 72 72 HIS C C 72 176.702 176.702 177.014 -0.312 18833 4054 1 8 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.407 2.045 18833 4055 1 8 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.434 0.875 18833 4056 1 8 . 1 1 72 72 HIS H H 72 9.077 9.077 8.809 0.268 18833 4057 1 8 . 1 1 73 73 LYS N N 73 116.672 116.672 117.344 -0.672 18833 4058 1 8 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.632 0.124 18833 4059 1 8 . 1 1 73 73 LYS C C 73 178.603 178.603 178.753 -0.150 18833 4060 1 8 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.177 0.845 18833 4061 1 8 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.366 1.094 18833 4062 1 8 . 1 1 73 73 LYS H H 73 8.473 8.473 7.824 0.649 18833 4063 1 8 . 1 1 74 74 GLN N N 74 116.558 116.558 120.495 -3.937 18833 4064 1 8 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.086 -0.154 18833 4065 1 8 . 1 1 74 74 GLN C C 74 179.891 179.891 178.231 1.660 18833 4066 1 8 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.145 0.426 18833 4067 1 8 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.066 0.259 18833 4068 1 8 . 1 1 74 74 GLN H H 74 7.568 7.568 7.532 0.036 18833 4069 1 8 . 1 1 75 75 ALA N N 75 123.337 123.337 121.543 1.794 18833 4070 1 8 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.104 -0.310 18833 4071 1 8 . 1 1 75 75 ALA C C 75 178.309 178.309 178.877 -0.568 18833 4072 1 8 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.009 0.659 18833 4073 1 8 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.188 1.181 18833 4074 1 8 . 1 1 75 75 ALA H H 75 8.320 8.320 7.850 0.470 18833 4075 1 8 . 1 1 76 76 VAL N N 76 118.172 118.172 118.881 -0.709 18833 4076 1 8 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.710 -0.523 18833 4077 1 8 . 1 1 76 76 VAL C C 76 179.705 179.705 177.487 2.218 18833 4078 1 8 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.047 1.105 18833 4079 1 8 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.574 -0.399 18833 4080 1 8 . 1 1 76 76 VAL H H 76 8.122 8.122 7.253 0.869 18833 4081 1 8 . 1 1 77 77 CYS N N 77 116.979 116.979 118.059 -1.080 18833 4082 1 8 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.040 0.161 18833 4083 1 8 . 1 1 77 77 CYS C C 77 177.004 177.004 177.589 -0.585 18833 4084 1 8 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.170 -1.278 18833 4085 1 8 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.329 11.214 18833 4086 1 8 . 1 1 77 77 CYS H H 77 8.327 8.327 8.361 -0.034 18833 4087 1 8 . 1 1 78 78 THR N N 78 117.521 117.521 117.084 0.437 18833 4088 1 8 . 1 1 78 78 THR HA H 78 3.867 3.867 3.994 -0.127 18833 4089 1 8 . 1 1 78 78 THR C C 78 176.306 176.306 176.611 -0.305 18833 4090 1 8 . 1 1 78 78 THR CA C 78 67.197 67.197 66.811 0.386 18833 4091 1 8 . 1 1 78 78 THR CB C 78 68.145 68.145 68.699 -0.554 18833 4092 1 8 . 1 1 78 78 THR H H 78 8.259 8.259 7.934 0.325 18833 4093 1 8 . 1 1 79 79 LEU N N 79 119.714 119.714 121.650 -1.936 18833 4094 1 8 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.955 -0.119 18833 4095 1 8 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.799 0.151 18833 4096 1 8 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.449 0.179 18833 4097 1 8 . 1 1 79 79 LEU H H 79 7.748 7.748 7.463 0.285 18833 4098 1 8 . 1 1 80 80 ARG N N 80 119.613 119.613 116.829 2.784 18833 4099 1 8 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.956 0.159 18833 4100 1 8 . 1 1 80 80 ARG C C 80 177.905 177.905 178.336 -0.431 18833 4101 1 8 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.310 -0.848 18833 4102 1 8 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.716 1.054 18833 4103 1 8 . 1 1 80 80 ARG H H 80 7.944 7.944 7.844 0.100 18833 4104 1 8 . 1 1 81 81 ASN N N 81 119.257 119.257 115.155 4.102 18833 4105 1 8 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.723 0.238 18833 4106 1 8 . 1 1 81 81 ASN C C 81 175.030 175.030 175.440 -0.410 18833 4107 1 8 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.165 -0.359 18833 4108 1 8 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.777 -2.323 18833 4109 1 8 . 1 1 81 81 ASN H H 81 7.843 7.843 7.799 0.044 18833 4110 1 8 . 1 1 82 82 THR N N 82 109.817 109.817 113.081 -3.264 18833 4111 1 8 . 1 1 82 82 THR HA H 82 4.391 4.391 4.568 -0.177 18833 4112 1 8 . 1 1 82 82 THR C C 82 175.114 175.114 175.295 -0.181 18833 4113 1 8 . 1 1 82 82 THR CA C 82 60.155 60.155 61.567 -1.412 18833 4114 1 8 . 1 1 82 82 THR CB C 82 72.327 72.327 70.878 1.449 18833 4115 1 8 . 1 1 82 82 THR H H 82 7.514 7.514 7.535 -0.021 18833 4116 1 8 . 1 1 83 83 GLY N N 83 109.536 109.536 107.118 2.418 18833 4117 1 8 . 1 1 83 83 GLY C C 83 173.492 173.492 174.888 -1.396 18833 4118 1 8 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.177 -0.051 18833 4119 1 8 . 1 1 83 83 GLY H H 83 8.406 8.406 8.642 -0.236 18833 4120 1 8 . 1 1 84 84 GLN N N 84 117.293 117.293 117.385 -0.092 18833 4121 1 8 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.130 -0.162 18833 4122 1 8 . 1 1 84 84 GLN C C 84 175.351 175.351 175.392 -0.041 18833 4123 1 8 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.699 0.813 18833 4124 1 8 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.043 -0.020 18833 4125 1 8 . 1 1 84 84 GLN H H 84 8.218 8.218 8.570 -0.352 18833 4126 1 8 . 1 1 85 85 VAL N N 85 116.238 116.238 118.738 -2.500 18833 4127 1 8 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.913 -0.221 18833 4128 1 8 . 1 1 85 85 VAL C C 85 175.864 175.864 174.998 0.866 18833 4129 1 8 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.114 0.228 18833 4130 1 8 . 1 1 85 85 VAL CB C 85 33.374 33.374 34.129 -0.755 18833 4131 1 8 . 1 1 85 85 VAL H H 85 7.715 7.715 7.587 0.128 18833 4132 1 8 . 1 1 86 86 VAL N N 86 128.273 128.273 125.044 3.229 18833 4133 1 8 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.509 0.015 18833 4134 1 8 . 1 1 86 86 VAL C C 86 173.320 173.320 174.547 -1.227 18833 4135 1 8 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.279 0.507 18833 4136 1 8 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.511 -0.406 18833 4137 1 8 . 1 1 86 86 VAL H H 86 9.034 9.034 8.776 0.258 18833 4138 1 8 . 1 1 87 87 HIS N N 87 126.224 126.224 125.285 0.939 18833 4139 1 8 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.902 0.135 18833 4140 1 8 . 1 1 87 87 HIS C C 87 174.442 174.442 174.852 -0.410 18833 4141 1 8 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.777 -0.019 18833 4142 1 8 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.583 1.918 18833 4143 1 8 . 1 1 87 87 HIS H H 87 8.761 8.761 8.852 -0.091 18833 4144 1 8 . 1 1 88 88 LEU N N 88 126.604 126.604 125.263 1.341 18833 4145 1 8 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.762 0.207 18833 4146 1 8 . 1 1 88 88 LEU C C 88 173.306 173.306 174.521 -1.215 18833 4147 1 8 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.659 -0.010 18833 4148 1 8 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.141 0.147 18833 4149 1 8 . 1 1 88 88 LEU H H 88 9.045 9.045 9.235 -0.190 18833 4150 1 8 . 1 1 89 89 LEU N N 89 124.501 124.501 124.601 -0.100 18833 4151 1 8 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.846 -0.125 18833 4152 1 8 . 1 1 89 89 LEU C C 89 175.180 175.180 174.243 0.937 18833 4153 1 8 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.382 0.356 18833 4154 1 8 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.792 0.574 18833 4155 1 8 . 1 1 89 89 LEU H H 89 7.977 7.977 8.794 -0.817 18833 4156 1 8 . 1 1 90 90 LEU N N 90 127.520 127.520 126.246 1.274 18833 4157 1 8 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.862 0.427 18833 4158 1 8 . 1 1 90 90 LEU C C 90 173.616 173.616 174.460 -0.844 18833 4159 1 8 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.728 0.427 18833 4160 1 8 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.286 -0.266 18833 4161 1 8 . 1 1 90 90 LEU H H 90 8.896 8.896 8.868 0.028 18833 4162 1 8 . 1 1 91 91 GLU N N 91 118.964 118.964 120.478 -1.514 18833 4163 1 8 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.148 -0.062 18833 4164 1 8 . 1 1 91 91 GLU C C 91 176.652 176.652 175.483 1.169 18833 4165 1 8 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.364 -0.546 18833 4166 1 8 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.664 0.242 18833 4167 1 8 . 1 1 91 91 GLU H H 91 8.825 8.825 8.087 0.738 18833 4168 1 8 . 1 1 92 92 LYS N N 92 128.805 128.805 124.303 4.502 18833 4169 1 8 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.557 -0.188 18833 4170 1 8 . 1 1 92 92 LYS C C 92 178.011 178.011 176.703 1.308 18833 4171 1 8 . 1 1 92 92 LYS CA C 92 56.340 56.340 55.407 0.933 18833 4172 1 8 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.411 -1.342 18833 4173 1 8 . 1 1 92 92 LYS H H 92 9.333 9.333 8.712 0.621 18833 4174 1 8 . 1 1 93 93 GLY N N 93 117.774 117.774 107.002 10.772 18833 4175 1 8 . 1 1 93 93 GLY C C 93 173.157 173.157 173.207 -0.050 18833 4176 1 8 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.970 0.205 18833 4177 1 8 . 1 1 93 93 GLY H H 93 9.735 9.735 8.687 1.048 18833 4178 1 8 . 1 1 94 94 GLN N N 94 116.912 116.912 117.912 -1.000 18833 4179 1 8 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.881 -0.617 18833 4180 1 8 . 1 1 94 94 GLN C C 94 175.955 175.955 175.100 0.855 18833 4181 1 8 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.187 1.314 18833 4182 1 8 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.445 -0.727 18833 4183 1 8 . 1 1 94 94 GLN H H 94 8.243 8.243 7.964 0.279 18833 4184 1 8 . 1 1 95 95 SER N N 95 118.157 118.157 116.944 1.213 18833 4185 1 8 . 1 1 95 95 SER HA H 95 4.662 4.662 5.021 -0.359 18833 4186 1 8 . 1 1 95 95 SER CA C 95 56.615 56.615 55.731 0.884 18833 4187 1 8 . 1 1 95 95 SER CB C 95 63.203 63.203 63.804 -0.601 18833 4188 1 8 . 1 1 95 95 SER H H 95 8.396 8.396 8.816 -0.420 18833 4189 1 8 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.558 -0.081 18833 4190 1 8 . 1 1 96 96 PRO C C 96 176.303 176.303 176.285 0.018 18833 4191 1 8 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.116 0.398 18833 4192 1 8 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.497 0.432 18833 4193 1 9 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.513 -0.041 18833 4194 1 9 . 1 1 2 2 PRO C C 2 175.867 175.867 176.418 -0.551 18833 4195 1 9 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.359 0.481 18833 4196 1 9 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.538 -0.226 18833 4197 1 9 . 1 1 3 3 LYS N N 3 124.698 124.698 120.584 4.114 18833 4198 1 9 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.371 0.236 18833 4199 1 9 . 1 1 3 3 LYS CA C 3 53.607 53.607 55.247 -1.640 18833 4200 1 9 . 1 1 3 3 LYS CB C 3 31.587 31.587 31.785 -0.198 18833 4201 1 9 . 1 1 3 3 LYS H H 3 8.933 8.933 8.309 0.624 18833 4202 1 9 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.310 -0.369 18833 4203 1 9 . 1 1 4 4 PRO C C 4 177.504 177.504 177.585 -0.081 18833 4204 1 9 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.768 0.744 18833 4205 1 9 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.419 0.251 18833 4206 1 9 . 1 1 5 5 GLY N N 5 113.652 113.652 112.829 0.823 18833 4207 1 9 . 1 1 5 5 GLY C C 5 174.146 174.146 173.895 0.251 18833 4208 1 9 . 1 1 5 5 GLY CA C 5 45.072 45.072 45.111 -0.039 18833 4209 1 9 . 1 1 5 5 GLY H H 5 9.014 9.014 8.492 0.522 18833 4210 1 9 . 1 1 6 6 ASP N N 6 121.766 121.766 119.691 2.075 18833 4211 1 9 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.943 -0.272 18833 4212 1 9 . 1 1 6 6 ASP C C 6 175.762 175.762 174.799 0.963 18833 4213 1 9 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.068 2.831 18833 4214 1 9 . 1 1 6 6 ASP CB C 6 41.406 41.406 43.325 -1.919 18833 4215 1 9 . 1 1 6 6 ASP H H 6 8.489 8.489 7.668 0.821 18833 4216 1 9 . 1 1 7 7 ILE N N 7 121.794 121.794 122.823 -1.029 18833 4217 1 9 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.818 0.515 18833 4218 1 9 . 1 1 7 7 ILE C C 7 176.854 176.854 175.477 1.377 18833 4219 1 9 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.482 -0.850 18833 4220 1 9 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.258 -1.043 18833 4221 1 9 . 1 1 7 7 ILE H H 7 8.368 8.368 8.350 0.018 18833 4222 1 9 . 1 1 8 8 PHE N N 8 125.873 125.873 125.059 0.814 18833 4223 1 9 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.980 0.084 18833 4224 1 9 . 1 1 8 8 PHE C C 8 171.167 171.167 173.485 -2.318 18833 4225 1 9 . 1 1 8 8 PHE CA C 8 55.550 55.550 54.953 0.597 18833 4226 1 9 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.460 -0.127 18833 4227 1 9 . 1 1 8 8 PHE H H 8 9.498 9.498 8.901 0.597 18833 4228 1 9 . 1 1 9 9 GLU N N 9 119.065 119.065 121.333 -2.268 18833 4229 1 9 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.651 0.564 18833 4230 1 9 . 1 1 9 9 GLU C C 9 176.019 176.019 175.925 0.094 18833 4231 1 9 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.218 -1.229 18833 4232 1 9 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.759 1.652 18833 4233 1 9 . 1 1 9 9 GLU H H 9 8.502 8.502 8.484 0.018 18833 4234 1 9 . 1 1 10 10 VAL N N 10 120.078 120.078 124.205 -4.127 18833 4235 1 9 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.343 -0.208 18833 4236 1 9 . 1 1 10 10 VAL C C 10 173.177 173.177 174.056 -0.879 18833 4237 1 9 . 1 1 10 10 VAL CA C 10 61.113 61.113 61.004 0.109 18833 4238 1 9 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.957 1.824 18833 4239 1 9 . 1 1 10 10 VAL H H 10 8.581 8.581 8.780 -0.199 18833 4240 1 9 . 1 1 11 11 GLU N N 11 126.482 126.482 127.079 -0.597 18833 4241 1 9 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.134 -0.135 18833 4242 1 9 . 1 1 11 11 GLU C C 11 174.618 174.618 175.092 -0.474 18833 4243 1 9 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.621 0.193 18833 4244 1 9 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.571 0.437 18833 4245 1 9 . 1 1 11 11 GLU H H 11 7.810 7.810 8.584 -0.774 18833 4246 1 9 . 1 1 12 12 LEU N N 12 126.093 126.093 126.342 -0.249 18833 4247 1 9 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.659 -0.005 18833 4248 1 9 . 1 1 12 12 LEU C C 12 174.013 174.013 175.176 -1.163 18833 4249 1 9 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.527 -0.353 18833 4250 1 9 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.761 2.105 18833 4251 1 9 . 1 1 12 12 LEU H H 12 8.888 8.888 8.036 0.852 18833 4252 1 9 . 1 1 13 13 ALA N N 13 126.137 126.137 127.665 -1.528 18833 4253 1 9 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.804 0.297 18833 4254 1 9 . 1 1 13 13 ALA C C 13 177.290 177.290 177.402 -0.112 18833 4255 1 9 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.750 -0.867 18833 4256 1 9 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.560 -1.151 18833 4257 1 9 . 1 1 13 13 ALA H H 13 8.494 8.494 8.397 0.097 18833 4258 1 9 . 1 1 14 14 LYS N N 14 120.270 120.270 121.725 -1.455 18833 4259 1 9 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.307 -0.509 18833 4260 1 9 . 1 1 14 14 LYS C C 14 176.313 176.313 176.266 0.047 18833 4261 1 9 . 1 1 14 14 LYS CA C 14 57.798 57.798 54.726 3.072 18833 4262 1 9 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.846 2.067 18833 4263 1 9 . 1 1 14 14 LYS H H 14 8.486 8.486 8.625 -0.139 18833 4264 1 9 . 1 1 15 15 ASN N N 15 117.746 117.746 118.738 -0.992 18833 4265 1 9 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.644 0.180 18833 4266 1 9 . 1 1 15 15 ASN CA C 15 52.779 52.779 53.402 -0.623 18833 4267 1 9 . 1 1 15 15 ASN CB C 15 40.122 40.122 37.483 2.639 18833 4268 1 9 . 1 1 15 15 ASN H H 15 8.139 8.139 8.292 -0.153 18833 4269 1 9 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.769 -0.468 18833 4270 1 9 . 1 1 16 16 ASP C C 16 175.367 175.367 174.577 0.790 18833 4271 1 9 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.699 0.753 18833 4272 1 9 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.418 -1.962 18833 4273 1 9 . 1 1 17 17 ASN N N 17 111.793 111.793 117.153 -5.360 18833 4274 1 9 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.780 -0.400 18833 4275 1 9 . 1 1 17 17 ASN C C 17 174.599 174.599 174.538 0.061 18833 4276 1 9 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.493 0.300 18833 4277 1 9 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.861 -2.144 18833 4278 1 9 . 1 1 17 17 ASN H H 17 8.698 8.698 8.418 0.280 18833 4279 1 9 . 1 1 18 18 SER N N 18 112.321 112.321 118.431 -6.110 18833 4280 1 9 . 1 1 18 18 SER HA H 18 4.827 4.827 4.486 0.341 18833 4281 1 9 . 1 1 18 18 SER CA C 18 56.795 56.795 57.916 -1.121 18833 4282 1 9 . 1 1 18 18 SER CB C 18 64.855 64.855 63.656 1.199 18833 4283 1 9 . 1 1 18 18 SER H H 18 7.989 7.989 8.383 -0.394 18833 4284 1 9 . 1 1 19 19 LEU N N 19 127.097 127.097 126.821 0.276 18833 4285 1 9 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.209 -0.043 18833 4286 1 9 . 1 1 19 19 LEU C C 19 177.329 177.329 178.000 -0.671 18833 4287 1 9 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.248 0.265 18833 4288 1 9 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.168 1.151 18833 4289 1 9 . 1 1 19 19 LEU H H 19 9.247 9.247 8.776 0.471 18833 4290 1 9 . 1 1 20 20 GLY N N 20 104.340 104.340 105.812 -1.472 18833 4291 1 9 . 1 1 20 20 GLY C C 20 175.984 175.984 174.248 1.736 18833 4292 1 9 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.681 1.118 18833 4293 1 9 . 1 1 20 20 GLY H H 20 8.664 8.664 8.525 0.139 18833 4294 1 9 . 1 1 21 21 ILE N N 21 115.279 115.279 117.356 -2.077 18833 4295 1 9 . 1 1 21 21 ILE HA H 21 4.996 4.996 4.937 0.059 18833 4296 1 9 . 1 1 21 21 ILE C C 21 175.972 175.972 175.880 0.092 18833 4297 1 9 . 1 1 21 21 ILE CA C 21 59.781 59.781 58.609 1.172 18833 4298 1 9 . 1 1 21 21 ILE CB C 21 42.622 42.622 40.241 2.381 18833 4299 1 9 . 1 1 21 21 ILE H H 21 7.614 7.614 7.675 -0.061 18833 4300 1 9 . 1 1 22 22 CYS N N 22 122.210 122.210 122.547 -0.337 18833 4301 1 9 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.941 0.330 18833 4302 1 9 . 1 1 22 22 CYS C C 22 175.904 175.904 172.672 3.232 18833 4303 1 9 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.656 -5.711 18833 4304 1 9 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.508 4.684 18833 4305 1 9 . 1 1 22 22 CYS H H 22 8.506 8.506 8.576 -0.070 18833 4306 1 9 . 1 1 23 23 VAL N N 23 117.739 117.739 117.901 -0.162 18833 4307 1 9 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.409 0.058 18833 4308 1 9 . 1 1 23 23 VAL C C 23 173.821 173.821 174.268 -0.447 18833 4309 1 9 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.003 -0.183 18833 4310 1 9 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.640 0.115 18833 4311 1 9 . 1 1 23 23 VAL H H 23 9.203 9.203 8.406 0.797 18833 4312 1 9 . 1 1 24 24 THR N N 24 114.753 114.753 114.233 0.520 18833 4313 1 9 . 1 1 24 24 THR HA H 24 4.649 4.649 4.641 0.008 18833 4314 1 9 . 1 1 24 24 THR C C 24 171.786 171.786 173.243 -1.457 18833 4315 1 9 . 1 1 24 24 THR CA C 24 59.529 59.529 60.041 -0.512 18833 4316 1 9 . 1 1 24 24 THR CB C 24 70.563 70.563 71.086 -0.523 18833 4317 1 9 . 1 1 24 24 THR H H 24 9.237 9.237 8.572 0.665 18833 4318 1 9 . 1 1 25 25 GLY N N 25 111.927 111.927 110.385 1.542 18833 4319 1 9 . 1 1 25 25 GLY C C 25 174.099 174.099 172.454 1.645 18833 4320 1 9 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.902 -0.290 18833 4321 1 9 . 1 1 25 25 GLY H H 25 8.291 8.291 8.224 0.067 18833 4322 1 9 . 1 1 26 26 GLY N N 26 107.140 107.140 107.135 0.005 18833 4323 1 9 . 1 1 26 26 GLY C C 26 176.180 176.180 175.587 0.593 18833 4324 1 9 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.102 -1.299 18833 4325 1 9 . 1 1 26 26 GLY H H 26 7.545 7.545 8.097 -0.552 18833 4326 1 9 . 1 1 27 27 VAL N N 27 116.837 116.837 122.189 -5.352 18833 4327 1 9 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.999 0.127 18833 4328 1 9 . 1 1 27 27 VAL C C 27 175.764 175.764 175.506 0.258 18833 4329 1 9 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.412 1.383 18833 4330 1 9 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.779 1.204 18833 4331 1 9 . 1 1 27 27 VAL H H 27 8.091 8.091 8.416 -0.325 18833 4332 1 9 . 1 1 28 28 ASN N N 28 117.997 117.997 115.905 2.092 18833 4333 1 9 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.390 0.419 18833 4334 1 9 . 1 1 28 28 ASN C C 28 174.860 174.860 174.448 0.412 18833 4335 1 9 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.914 -0.459 18833 4336 1 9 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.695 1.052 18833 4337 1 9 . 1 1 28 28 ASN H H 28 8.795 8.795 8.321 0.474 18833 4338 1 9 . 1 1 29 29 THR N N 29 111.381 111.381 113.463 -2.082 18833 4339 1 9 . 1 1 29 29 THR HA H 29 4.689 4.689 4.522 0.167 18833 4340 1 9 . 1 1 29 29 THR CA C 29 61.526 61.526 59.800 1.726 18833 4341 1 9 . 1 1 29 29 THR CB C 29 70.889 70.889 69.719 1.171 18833 4342 1 9 . 1 1 29 29 THR H H 29 7.858 7.858 8.008 -0.150 18833 4343 1 9 . 1 1 30 30 SER N N 30 114.070 114.070 115.706 -1.636 18833 4344 1 9 . 1 1 30 30 SER HA H 30 4.535 4.535 4.160 0.375 18833 4345 1 9 . 1 1 30 30 SER C C 30 174.879 174.879 174.242 0.637 18833 4346 1 9 . 1 1 30 30 SER CA C 30 58.380 58.380 60.237 -1.857 18833 4347 1 9 . 1 1 30 30 SER CB C 30 63.532 63.532 63.166 0.366 18833 4348 1 9 . 1 1 30 30 SER H H 30 8.433 8.433 8.657 -0.224 18833 4349 1 9 . 1 1 31 31 VAL N N 31 118.337 118.337 115.574 2.763 18833 4350 1 9 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.164 -0.073 18833 4351 1 9 . 1 1 31 31 VAL C C 31 176.528 176.528 176.571 -0.043 18833 4352 1 9 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.325 0.820 18833 4353 1 9 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.670 -0.170 18833 4354 1 9 . 1 1 31 31 VAL H H 31 7.588 7.588 7.430 0.158 18833 4355 1 9 . 1 1 32 32 ARG N N 32 124.670 124.670 126.794 -2.124 18833 4356 1 9 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.046 -0.035 18833 4357 1 9 . 1 1 32 32 ARG CA C 32 57.972 57.972 59.021 -1.049 18833 4358 1 9 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.190 -0.615 18833 4359 1 9 . 1 1 32 32 ARG H H 32 8.511 8.511 8.622 -0.111 18833 4360 1 9 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.490 0.083 18833 4361 1 9 . 1 1 33 33 HIS C C 33 175.064 175.064 175.841 -0.777 18833 4362 1 9 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.253 0.578 18833 4363 1 9 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.637 -0.519 18833 4364 1 9 . 1 1 34 34 GLY N N 34 109.531 109.531 107.541 1.990 18833 4365 1 9 . 1 1 34 34 GLY C C 34 174.582 174.582 174.709 -0.127 18833 4366 1 9 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.696 0.885 18833 4367 1 9 . 1 1 34 34 GLY H H 34 8.471 8.471 7.637 0.834 18833 4368 1 9 . 1 1 35 35 GLY N N 35 105.151 105.151 107.272 -2.121 18833 4369 1 9 . 1 1 35 35 GLY C C 35 170.505 170.505 174.179 -3.674 18833 4370 1 9 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.709 0.868 18833 4371 1 9 . 1 1 35 35 GLY H H 35 7.833 7.833 7.949 -0.116 18833 4372 1 9 . 1 1 36 36 ILE N N 36 119.676 119.676 122.108 -2.432 18833 4373 1 9 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.476 0.236 18833 4374 1 9 . 1 1 36 36 ILE C C 36 174.641 174.641 175.375 -0.734 18833 4375 1 9 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.045 -1.961 18833 4376 1 9 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.973 -0.241 18833 4377 1 9 . 1 1 36 36 ILE H H 36 8.350 8.350 7.887 0.463 18833 4378 1 9 . 1 1 37 37 TYR N N 37 123.307 123.307 127.952 -4.645 18833 4379 1 9 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.542 0.765 18833 4380 1 9 . 1 1 37 37 TYR C C 37 176.165 176.165 175.647 0.518 18833 4381 1 9 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.260 -1.413 18833 4382 1 9 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.357 1.972 18833 4383 1 9 . 1 1 37 37 TYR H H 37 8.892 8.892 8.925 -0.033 18833 4384 1 9 . 1 1 38 38 VAL N N 38 120.580 120.580 122.301 -1.721 18833 4385 1 9 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.011 -0.275 18833 4386 1 9 . 1 1 38 38 VAL C C 38 175.983 175.983 176.157 -0.174 18833 4387 1 9 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.476 0.194 18833 4388 1 9 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.379 0.149 18833 4389 1 9 . 1 1 38 38 VAL H H 38 9.365 9.365 8.526 0.839 18833 4390 1 9 . 1 1 39 39 LYS N N 39 133.297 133.297 130.167 3.130 18833 4391 1 9 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.391 -0.006 18833 4392 1 9 . 1 1 39 39 LYS C C 39 174.520 174.520 175.619 -1.099 18833 4393 1 9 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.459 0.050 18833 4394 1 9 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.527 0.107 18833 4395 1 9 . 1 1 39 39 LYS H H 39 9.560 9.560 8.801 0.759 18833 4396 1 9 . 1 1 40 40 ALA N N 40 118.155 118.155 121.317 -3.162 18833 4397 1 9 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.680 -0.175 18833 4398 1 9 . 1 1 40 40 ALA C C 40 174.639 174.639 175.040 -0.401 18833 4399 1 9 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.514 0.281 18833 4400 1 9 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.962 0.518 18833 4401 1 9 . 1 1 40 40 ALA H H 40 7.498 7.498 7.512 -0.014 18833 4402 1 9 . 1 1 41 41 VAL N N 41 121.634 121.634 120.720 0.914 18833 4403 1 9 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.707 -0.298 18833 4404 1 9 . 1 1 41 41 VAL C C 41 175.829 175.829 175.562 0.267 18833 4405 1 9 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.614 0.690 18833 4406 1 9 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.348 -2.153 18833 4407 1 9 . 1 1 41 41 VAL H H 41 8.634 8.634 8.362 0.272 18833 4408 1 9 . 1 1 42 42 ILE N N 42 128.094 128.094 128.880 -0.786 18833 4409 1 9 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.374 -0.228 18833 4410 1 9 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.193 -0.547 18833 4411 1 9 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.645 -0.640 18833 4412 1 9 . 1 1 42 42 ILE H H 42 7.944 7.944 8.869 -0.925 18833 4413 1 9 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.391 0.060 18833 4414 1 9 . 1 1 43 43 PRO C C 43 177.234 177.234 176.746 0.488 18833 4415 1 9 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.617 0.580 18833 4416 1 9 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.380 0.465 18833 4417 1 9 . 1 1 44 44 GLN N N 44 116.825 116.825 116.200 0.625 18833 4418 1 9 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.858 -0.009 18833 4419 1 9 . 1 1 44 44 GLN C C 44 175.752 175.752 175.530 0.222 18833 4420 1 9 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.866 1.266 18833 4421 1 9 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.555 -0.081 18833 4422 1 9 . 1 1 44 44 GLN H H 44 9.345 9.345 9.536 -0.191 18833 4423 1 9 . 1 1 45 45 GLY N N 45 106.186 106.186 104.920 1.266 18833 4424 1 9 . 1 1 45 45 GLY C C 45 174.374 174.374 174.122 0.252 18833 4425 1 9 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.345 0.379 18833 4426 1 9 . 1 1 45 45 GLY H H 45 7.887 7.887 8.001 -0.114 18833 4427 1 9 . 1 1 46 46 ALA N N 46 120.843 120.843 123.352 -2.509 18833 4428 1 9 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.977 0.082 18833 4429 1 9 . 1 1 46 46 ALA C C 46 180.628 180.628 179.227 1.401 18833 4430 1 9 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.123 -0.088 18833 4431 1 9 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.744 -0.122 18833 4432 1 9 . 1 1 46 46 ALA H H 46 8.907 8.907 8.152 0.755 18833 4433 1 9 . 1 1 47 47 ALA N N 47 118.721 118.721 120.966 -2.245 18833 4434 1 9 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.932 0.139 18833 4435 1 9 . 1 1 47 47 ALA C C 47 180.589 180.589 179.272 1.317 18833 4436 1 9 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.204 -0.358 18833 4437 1 9 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.880 0.889 18833 4438 1 9 . 1 1 47 47 ALA H H 47 7.856 7.856 7.731 0.125 18833 4439 1 9 . 1 1 48 48 GLU N N 48 124.373 124.373 119.113 5.260 18833 4440 1 9 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.923 -0.114 18833 4441 1 9 . 1 1 48 48 GLU C C 48 178.120 178.120 178.973 -0.853 18833 4442 1 9 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.841 1.016 18833 4443 1 9 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.549 0.070 18833 4444 1 9 . 1 1 48 48 GLU H H 48 9.195 9.195 8.588 0.607 18833 4445 1 9 . 1 1 49 49 SER N N 49 113.220 113.220 114.446 -1.226 18833 4446 1 9 . 1 1 49 49 SER HA H 49 4.099 4.099 4.172 -0.073 18833 4447 1 9 . 1 1 49 49 SER C C 49 175.707 175.707 176.367 -0.660 18833 4448 1 9 . 1 1 49 49 SER CA C 49 61.168 61.168 60.757 0.411 18833 4449 1 9 . 1 1 49 49 SER CB C 49 62.775 62.775 63.278 -0.503 18833 4450 1 9 . 1 1 49 49 SER H H 49 8.020 8.020 8.260 -0.240 18833 4451 1 9 . 1 1 50 50 ASP N N 50 120.022 120.022 119.832 0.190 18833 4452 1 9 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.457 -0.077 18833 4453 1 9 . 1 1 50 50 ASP C C 50 177.650 177.650 177.514 0.136 18833 4454 1 9 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.508 1.689 18833 4455 1 9 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.509 2.726 18833 4456 1 9 . 1 1 50 50 ASP H H 50 7.579 7.579 7.661 -0.082 18833 4457 1 9 . 1 1 51 51 GLY N N 51 102.979 102.979 106.476 -3.497 18833 4458 1 9 . 1 1 51 51 GLY C C 51 175.026 175.026 175.097 -0.071 18833 4459 1 9 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.720 0.626 18833 4460 1 9 . 1 1 51 51 GLY H H 51 7.364 7.364 8.296 -0.932 18833 4461 1 9 . 1 1 52 52 ARG N N 52 117.501 117.501 119.780 -2.279 18833 4462 1 9 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.123 0.185 18833 4463 1 9 . 1 1 52 52 ARG C C 52 175.898 175.898 175.974 -0.076 18833 4464 1 9 . 1 1 52 52 ARG CA C 52 57.904 57.904 58.360 -0.456 18833 4465 1 9 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.996 2.003 18833 4466 1 9 . 1 1 52 52 ARG H H 52 7.958 7.958 7.481 0.477 18833 4467 1 9 . 1 1 53 53 ILE N N 53 120.028 120.028 117.406 2.622 18833 4468 1 9 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.326 -0.094 18833 4469 1 9 . 1 1 53 53 ILE C C 53 173.773 173.773 174.710 -0.937 18833 4470 1 9 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.915 0.514 18833 4471 1 9 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.604 1.095 18833 4472 1 9 . 1 1 53 53 ILE H H 53 8.223 8.223 7.571 0.652 18833 4473 1 9 . 1 1 54 54 HIS N N 54 123.681 123.681 125.943 -2.262 18833 4474 1 9 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.895 -0.094 18833 4475 1 9 . 1 1 54 54 HIS C C 54 173.826 173.826 174.245 -0.419 18833 4476 1 9 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.269 0.616 18833 4477 1 9 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.837 -0.338 18833 4478 1 9 . 1 1 54 54 HIS H H 54 9.073 9.073 9.438 -0.365 18833 4479 1 9 . 1 1 55 55 LYS N N 55 120.814 120.814 120.508 0.306 18833 4480 1 9 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.970 -0.360 18833 4481 1 9 . 1 1 55 55 LYS C C 55 177.014 177.014 177.428 -0.414 18833 4482 1 9 . 1 1 55 55 LYS CA C 55 58.433 58.433 58.243 0.189 18833 4483 1 9 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.797 -0.437 18833 4484 1 9 . 1 1 55 55 LYS H H 55 8.715 8.715 8.558 0.157 18833 4485 1 9 . 1 1 56 56 GLY N N 56 114.423 114.423 114.667 -0.244 18833 4486 1 9 . 1 1 56 56 GLY C C 56 174.469 174.469 174.021 0.448 18833 4487 1 9 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.056 -0.218 18833 4488 1 9 . 1 1 56 56 GLY H H 56 9.128 9.128 8.553 0.575 18833 4489 1 9 . 1 1 57 57 ASP N N 57 121.735 121.735 123.022 -1.287 18833 4490 1 9 . 1 1 57 57 ASP HA H 57 4.883 4.883 5.019 -0.136 18833 4491 1 9 . 1 1 57 57 ASP C C 57 174.808 174.808 175.204 -0.396 18833 4492 1 9 . 1 1 57 57 ASP CA C 57 55.827 55.827 54.862 0.965 18833 4493 1 9 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.590 -1.534 18833 4494 1 9 . 1 1 57 57 ASP H H 57 8.033 8.033 7.679 0.354 18833 4495 1 9 . 1 1 58 58 ARG N N 58 123.530 123.530 117.996 5.534 18833 4496 1 9 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.655 -0.017 18833 4497 1 9 . 1 1 58 58 ARG C C 58 175.641 175.641 174.549 1.092 18833 4498 1 9 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.376 0.324 18833 4499 1 9 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.340 1.291 18833 4500 1 9 . 1 1 58 58 ARG H H 58 9.097 9.097 7.976 1.121 18833 4501 1 9 . 1 1 59 59 VAL N N 59 126.202 126.202 119.599 6.603 18833 4502 1 9 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.498 -0.593 18833 4503 1 9 . 1 1 59 59 VAL C C 59 174.515 174.515 175.476 -0.961 18833 4504 1 9 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.520 0.632 18833 4505 1 9 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.177 -2.103 18833 4506 1 9 . 1 1 59 59 VAL H H 59 8.898 8.898 8.691 0.207 18833 4507 1 9 . 1 1 60 60 LEU N N 60 127.209 127.209 121.400 5.809 18833 4508 1 9 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.777 -0.457 18833 4509 1 9 . 1 1 60 60 LEU C C 60 178.352 178.352 176.447 1.905 18833 4510 1 9 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.845 1.316 18833 4511 1 9 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.118 -0.493 18833 4512 1 9 . 1 1 60 60 LEU H H 60 9.193 9.193 8.754 0.439 18833 4513 1 9 . 1 1 61 61 ALA N N 61 118.965 118.965 120.341 -1.376 18833 4514 1 9 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.234 -0.295 18833 4515 1 9 . 1 1 61 61 ALA C C 61 175.332 175.332 175.267 0.065 18833 4516 1 9 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.443 1.849 18833 4517 1 9 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.808 -0.722 18833 4518 1 9 . 1 1 61 61 ALA H H 61 7.759 7.759 7.464 0.295 18833 4519 1 9 . 1 1 62 62 VAL N N 62 119.695 119.695 119.322 0.373 18833 4520 1 9 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.665 -0.181 18833 4521 1 9 . 1 1 62 62 VAL C C 62 175.538 175.538 176.008 -0.470 18833 4522 1 9 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.289 -0.752 18833 4523 1 9 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.200 -0.239 18833 4524 1 9 . 1 1 62 62 VAL H H 62 8.218 8.218 8.402 -0.184 18833 4525 1 9 . 1 1 63 63 ASN N N 63 128.940 128.940 128.017 0.923 18833 4526 1 9 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.463 0.108 18833 4527 1 9 . 1 1 63 63 ASN C C 63 175.155 175.155 175.540 -0.385 18833 4528 1 9 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.489 -0.030 18833 4529 1 9 . 1 1 63 63 ASN CB C 63 36.919 36.919 37.346 -0.427 18833 4530 1 9 . 1 1 63 63 ASN H H 63 10.387 10.387 9.562 0.825 18833 4531 1 9 . 1 1 64 64 GLY N N 64 103.432 103.432 101.532 1.900 18833 4532 1 9 . 1 1 64 64 GLY C C 64 173.902 173.902 173.999 -0.097 18833 4533 1 9 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.157 0.040 18833 4534 1 9 . 1 1 64 64 GLY H H 64 9.094 9.094 8.731 0.363 18833 4535 1 9 . 1 1 65 65 VAL N N 65 123.418 123.418 121.286 2.132 18833 4536 1 9 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.279 -0.303 18833 4537 1 9 . 1 1 65 65 VAL C C 65 175.675 175.675 175.828 -0.153 18833 4538 1 9 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.038 1.024 18833 4539 1 9 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.697 -0.868 18833 4540 1 9 . 1 1 65 65 VAL H H 65 7.948 7.948 7.627 0.321 18833 4541 1 9 . 1 1 66 66 SER N N 66 121.122 121.122 124.565 -3.443 18833 4542 1 9 . 1 1 66 66 SER HA H 66 4.365 4.365 4.573 -0.208 18833 4543 1 9 . 1 1 66 66 SER C C 66 176.402 176.402 174.053 2.349 18833 4544 1 9 . 1 1 66 66 SER CA C 66 58.310 58.310 58.595 -0.285 18833 4545 1 9 . 1 1 66 66 SER CB C 66 63.651 63.651 63.266 0.385 18833 4546 1 9 . 1 1 66 66 SER H H 66 8.671 8.671 8.861 -0.190 18833 4547 1 9 . 1 1 67 67 LEU N N 67 125.351 125.351 118.088 7.263 18833 4548 1 9 . 1 1 67 67 LEU HA H 67 4.440 4.440 3.971 0.469 18833 4549 1 9 . 1 1 67 67 LEU C C 67 176.359 176.359 175.774 0.585 18833 4550 1 9 . 1 1 67 67 LEU CA C 67 53.867 53.867 55.563 -1.696 18833 4551 1 9 . 1 1 67 67 LEU CB C 67 40.981 40.981 40.452 0.529 18833 4552 1 9 . 1 1 67 67 LEU H H 67 8.205 8.205 8.308 -0.103 18833 4553 1 9 . 1 1 68 68 GLU N N 68 123.211 123.211 120.457 2.754 18833 4554 1 9 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.223 -0.177 18833 4555 1 9 . 1 1 68 68 GLU C C 68 177.820 177.820 177.632 0.188 18833 4556 1 9 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.233 1.302 18833 4557 1 9 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.478 -0.398 18833 4558 1 9 . 1 1 68 68 GLU H H 68 8.300 8.300 8.324 -0.024 18833 4559 1 9 . 1 1 69 69 GLY N N 69 115.507 115.507 112.723 2.784 18833 4560 1 9 . 1 1 69 69 GLY C C 69 173.652 173.652 174.033 -0.381 18833 4561 1 9 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.825 0.522 18833 4562 1 9 . 1 1 69 69 GLY H H 69 8.945 8.945 8.951 -0.006 18833 4563 1 9 . 1 1 70 70 ALA N N 70 122.308 122.308 124.382 -2.074 18833 4564 1 9 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.445 0.045 18833 4565 1 9 . 1 1 70 70 ALA C C 70 179.583 179.583 177.025 2.558 18833 4566 1 9 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.917 0.567 18833 4567 1 9 . 1 1 70 70 ALA CB C 70 19.588 19.588 20.272 -0.684 18833 4568 1 9 . 1 1 70 70 ALA H H 70 7.882 7.882 7.333 0.549 18833 4569 1 9 . 1 1 71 71 THR N N 71 111.173 111.173 113.518 -2.345 18833 4570 1 9 . 1 1 71 71 THR HA H 71 4.526 4.526 4.526 0.000 18833 4571 1 9 . 1 1 71 71 THR C C 71 174.660 174.660 176.357 -1.697 18833 4572 1 9 . 1 1 71 71 THR CA C 71 60.732 60.732 60.696 0.036 18833 4573 1 9 . 1 1 71 71 THR CB C 71 71.196 71.196 70.520 0.676 18833 4574 1 9 . 1 1 71 71 THR H H 71 8.185 8.185 8.252 -0.067 18833 4575 1 9 . 1 1 72 72 HIS N N 72 121.107 121.107 119.021 2.086 18833 4576 1 9 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.221 -0.220 18833 4577 1 9 . 1 1 72 72 HIS C C 72 176.702 176.702 177.636 -0.934 18833 4578 1 9 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.496 1.956 18833 4579 1 9 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.131 1.178 18833 4580 1 9 . 1 1 72 72 HIS H H 72 9.077 9.077 8.901 0.176 18833 4581 1 9 . 1 1 73 73 LYS N N 73 116.672 116.672 119.545 -2.873 18833 4582 1 9 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.788 -0.032 18833 4583 1 9 . 1 1 73 73 LYS C C 73 178.603 178.603 178.619 -0.016 18833 4584 1 9 . 1 1 73 73 LYS CA C 73 60.022 60.022 60.109 -0.087 18833 4585 1 9 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.918 0.542 18833 4586 1 9 . 1 1 73 73 LYS H H 73 8.473 8.473 7.951 0.522 18833 4587 1 9 . 1 1 74 74 GLN N N 74 116.558 116.558 117.859 -1.301 18833 4588 1 9 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.104 -0.172 18833 4589 1 9 . 1 1 74 74 GLN C C 74 179.891 179.891 178.515 1.376 18833 4590 1 9 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.463 0.108 18833 4591 1 9 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.590 -0.265 18833 4592 1 9 . 1 1 74 74 GLN H H 74 7.568 7.568 7.666 -0.098 18833 4593 1 9 . 1 1 75 75 ALA N N 75 123.337 123.337 123.232 0.105 18833 4594 1 9 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.073 -0.279 18833 4595 1 9 . 1 1 75 75 ALA C C 75 178.309 178.309 179.233 -0.924 18833 4596 1 9 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.205 0.463 18833 4597 1 9 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.367 1.001 18833 4598 1 9 . 1 1 75 75 ALA H H 75 8.320 8.320 7.888 0.432 18833 4599 1 9 . 1 1 76 76 VAL N N 76 118.172 118.172 118.531 -0.359 18833 4600 1 9 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.683 -0.496 18833 4601 1 9 . 1 1 76 76 VAL C C 76 179.705 179.705 177.519 2.186 18833 4602 1 9 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.641 0.511 18833 4603 1 9 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.504 -0.329 18833 4604 1 9 . 1 1 76 76 VAL H H 76 8.122 8.122 7.530 0.592 18833 4605 1 9 . 1 1 77 77 CYS N N 77 116.979 116.979 117.670 -0.691 18833 4606 1 9 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.067 0.134 18833 4607 1 9 . 1 1 77 77 CYS C C 77 177.004 177.004 177.714 -0.710 18833 4608 1 9 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.102 -1.210 18833 4609 1 9 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.405 11.138 18833 4610 1 9 . 1 1 77 77 CYS H H 77 8.327 8.327 8.469 -0.142 18833 4611 1 9 . 1 1 78 78 THR N N 78 117.521 117.521 116.907 0.614 18833 4612 1 9 . 1 1 78 78 THR HA H 78 3.867 3.867 3.999 -0.132 18833 4613 1 9 . 1 1 78 78 THR C C 78 176.306 176.306 176.426 -0.120 18833 4614 1 9 . 1 1 78 78 THR CA C 78 67.197 67.197 66.339 0.858 18833 4615 1 9 . 1 1 78 78 THR CB C 78 68.145 68.145 68.762 -0.617 18833 4616 1 9 . 1 1 78 78 THR H H 78 8.259 8.259 7.778 0.481 18833 4617 1 9 . 1 1 79 79 LEU N N 79 119.714 119.714 121.889 -2.175 18833 4618 1 9 . 1 1 79 79 LEU HA H 79 3.836 3.836 4.009 -0.173 18833 4619 1 9 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.816 0.134 18833 4620 1 9 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.453 0.175 18833 4621 1 9 . 1 1 79 79 LEU H H 79 7.748 7.748 7.501 0.247 18833 4622 1 9 . 1 1 80 80 ARG N N 80 119.613 119.613 118.332 1.281 18833 4623 1 9 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.910 0.205 18833 4624 1 9 . 1 1 80 80 ARG C C 80 177.905 177.905 177.973 -0.068 18833 4625 1 9 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.485 -1.023 18833 4626 1 9 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.942 0.828 18833 4627 1 9 . 1 1 80 80 ARG H H 80 7.944 7.944 7.849 0.095 18833 4628 1 9 . 1 1 81 81 ASN N N 81 119.257 119.257 114.226 5.031 18833 4629 1 9 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.693 0.268 18833 4630 1 9 . 1 1 81 81 ASN C C 81 175.030 175.030 175.626 -0.596 18833 4631 1 9 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.175 -0.369 18833 4632 1 9 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.373 -1.919 18833 4633 1 9 . 1 1 81 81 ASN H H 81 7.843 7.843 7.669 0.174 18833 4634 1 9 . 1 1 82 82 THR N N 82 109.817 109.817 113.542 -3.725 18833 4635 1 9 . 1 1 82 82 THR HA H 82 4.391 4.391 4.476 -0.085 18833 4636 1 9 . 1 1 82 82 THR C C 82 175.114 175.114 175.017 0.097 18833 4637 1 9 . 1 1 82 82 THR CA C 82 60.155 60.155 61.861 -1.706 18833 4638 1 9 . 1 1 82 82 THR CB C 82 72.327 72.327 70.461 1.866 18833 4639 1 9 . 1 1 82 82 THR H H 82 7.514 7.514 7.532 -0.018 18833 4640 1 9 . 1 1 83 83 GLY N N 83 109.536 109.536 106.417 3.119 18833 4641 1 9 . 1 1 83 83 GLY C C 83 173.492 173.492 174.744 -1.252 18833 4642 1 9 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.331 -0.205 18833 4643 1 9 . 1 1 83 83 GLY H H 83 8.406 8.406 8.465 -0.059 18833 4644 1 9 . 1 1 84 84 GLN N N 84 117.293 117.293 118.281 -0.988 18833 4645 1 9 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.195 -0.227 18833 4646 1 9 . 1 1 84 84 GLN C C 84 175.351 175.351 175.154 0.197 18833 4647 1 9 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.125 0.387 18833 4648 1 9 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.154 -0.131 18833 4649 1 9 . 1 1 84 84 GLN H H 84 8.218 8.218 8.626 -0.408 18833 4650 1 9 . 1 1 85 85 VAL N N 85 116.238 116.238 117.452 -1.214 18833 4651 1 9 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.527 0.165 18833 4652 1 9 . 1 1 85 85 VAL C C 85 175.864 175.864 174.902 0.962 18833 4653 1 9 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.265 0.077 18833 4654 1 9 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.272 0.102 18833 4655 1 9 . 1 1 85 85 VAL H H 85 7.715 7.715 7.624 0.091 18833 4656 1 9 . 1 1 86 86 VAL N N 86 128.273 128.273 125.054 3.219 18833 4657 1 9 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.358 0.166 18833 4658 1 9 . 1 1 86 86 VAL C C 86 173.320 173.320 173.939 -0.619 18833 4659 1 9 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.568 0.218 18833 4660 1 9 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.631 -0.526 18833 4661 1 9 . 1 1 86 86 VAL H H 86 9.034 9.034 8.310 0.724 18833 4662 1 9 . 1 1 87 87 HIS N N 87 126.224 126.224 124.737 1.487 18833 4663 1 9 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.789 0.248 18833 4664 1 9 . 1 1 87 87 HIS C C 87 174.442 174.442 173.674 0.768 18833 4665 1 9 . 1 1 87 87 HIS CA C 87 55.758 55.758 54.436 1.322 18833 4666 1 9 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.405 1.096 18833 4667 1 9 . 1 1 87 87 HIS H H 87 8.761 8.761 9.542 -0.781 18833 4668 1 9 . 1 1 88 88 LEU N N 88 126.604 126.604 128.051 -1.447 18833 4669 1 9 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.640 0.329 18833 4670 1 9 . 1 1 88 88 LEU C C 88 173.306 173.306 174.195 -0.889 18833 4671 1 9 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.376 0.273 18833 4672 1 9 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.717 0.571 18833 4673 1 9 . 1 1 88 88 LEU H H 88 9.045 9.045 8.877 0.168 18833 4674 1 9 . 1 1 89 89 LEU N N 89 124.501 124.501 124.614 -0.113 18833 4675 1 9 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.572 0.149 18833 4676 1 9 . 1 1 89 89 LEU C C 89 175.180 175.180 174.228 0.952 18833 4677 1 9 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.333 0.405 18833 4678 1 9 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.673 0.693 18833 4679 1 9 . 1 1 89 89 LEU H H 89 7.977 7.977 8.620 -0.643 18833 4680 1 9 . 1 1 90 90 LEU N N 90 127.520 127.520 126.306 1.214 18833 4681 1 9 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.861 0.428 18833 4682 1 9 . 1 1 90 90 LEU C C 90 173.616 173.616 174.420 -0.804 18833 4683 1 9 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.576 0.579 18833 4684 1 9 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.144 -0.124 18833 4685 1 9 . 1 1 90 90 LEU H H 90 8.896 8.896 8.623 0.273 18833 4686 1 9 . 1 1 91 91 GLU N N 91 118.964 118.964 120.317 -1.353 18833 4687 1 9 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.140 -0.054 18833 4688 1 9 . 1 1 91 91 GLU C C 91 176.652 176.652 175.650 1.002 18833 4689 1 9 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.228 -0.410 18833 4690 1 9 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.721 0.185 18833 4691 1 9 . 1 1 91 91 GLU H H 91 8.825 8.825 8.468 0.357 18833 4692 1 9 . 1 1 92 92 LYS N N 92 128.805 128.805 125.693 3.112 18833 4693 1 9 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.614 -0.245 18833 4694 1 9 . 1 1 92 92 LYS C C 92 178.011 178.011 177.096 0.915 18833 4695 1 9 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.241 0.099 18833 4696 1 9 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.299 -1.230 18833 4697 1 9 . 1 1 92 92 LYS H H 92 9.333 9.333 8.864 0.469 18833 4698 1 9 . 1 1 93 93 GLY N N 93 117.774 117.774 108.526 9.248 18833 4699 1 9 . 1 1 93 93 GLY C C 93 173.157 173.157 172.948 0.209 18833 4700 1 9 . 1 1 93 93 GLY CA C 93 45.175 45.175 43.570 1.605 18833 4701 1 9 . 1 1 93 93 GLY H H 93 9.735 9.735 8.675 1.060 18833 4702 1 9 . 1 1 94 94 GLN N N 94 116.912 116.912 118.647 -1.735 18833 4703 1 9 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.427 -0.163 18833 4704 1 9 . 1 1 94 94 GLN C C 94 175.955 175.955 175.531 0.424 18833 4705 1 9 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.800 -0.299 18833 4706 1 9 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.068 -0.350 18833 4707 1 9 . 1 1 94 94 GLN H H 94 8.243 8.243 8.462 -0.219 18833 4708 1 9 . 1 1 95 95 SER N N 95 118.157 118.157 117.887 0.270 18833 4709 1 9 . 1 1 95 95 SER HA H 95 4.662 4.662 4.704 -0.042 18833 4710 1 9 . 1 1 95 95 SER CA C 95 56.615 56.615 56.974 -0.359 18833 4711 1 9 . 1 1 95 95 SER CB C 95 63.203 63.203 63.173 0.030 18833 4712 1 9 . 1 1 95 95 SER H H 95 8.396 8.396 8.401 -0.005 18833 4713 1 9 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.550 -0.073 18833 4714 1 9 . 1 1 96 96 PRO C C 96 176.303 176.303 175.596 0.707 18833 4715 1 9 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.066 0.448 18833 4716 1 9 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.370 -0.441 18833 4717 1 10 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.546 -0.074 18833 4718 1 10 . 1 1 2 2 PRO C C 2 175.867 175.867 176.393 -0.526 18833 4719 1 10 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.233 0.608 18833 4720 1 10 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.584 -0.271 18833 4721 1 10 . 1 1 3 3 LYS N N 3 124.698 124.698 120.620 4.078 18833 4722 1 10 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.452 0.155 18833 4723 1 10 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.820 -1.213 18833 4724 1 10 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.150 -0.563 18833 4725 1 10 . 1 1 3 3 LYS H H 3 8.933 8.933 8.366 0.567 18833 4726 1 10 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.307 -0.366 18833 4727 1 10 . 1 1 4 4 PRO C C 4 177.504 177.504 177.700 -0.196 18833 4728 1 10 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.962 0.550 18833 4729 1 10 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.521 0.149 18833 4730 1 10 . 1 1 5 5 GLY N N 5 113.652 113.652 112.040 1.612 18833 4731 1 10 . 1 1 5 5 GLY C C 5 174.146 174.146 173.511 0.635 18833 4732 1 10 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.856 0.216 18833 4733 1 10 . 1 1 5 5 GLY H H 5 9.014 9.014 8.616 0.398 18833 4734 1 10 . 1 1 6 6 ASP N N 6 121.766 121.766 120.401 1.365 18833 4735 1 10 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.880 -0.209 18833 4736 1 10 . 1 1 6 6 ASP C C 6 175.762 175.762 175.171 0.591 18833 4737 1 10 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.579 2.320 18833 4738 1 10 . 1 1 6 6 ASP CB C 6 41.406 41.406 43.195 -1.789 18833 4739 1 10 . 1 1 6 6 ASP H H 6 8.489 8.489 7.891 0.598 18833 4740 1 10 . 1 1 7 7 ILE N N 7 121.794 121.794 122.498 -0.704 18833 4741 1 10 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.622 0.711 18833 4742 1 10 . 1 1 7 7 ILE C C 7 176.854 176.854 175.707 1.147 18833 4743 1 10 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.330 -0.698 18833 4744 1 10 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.380 -1.165 18833 4745 1 10 . 1 1 7 7 ILE H H 7 8.368 8.368 8.420 -0.052 18833 4746 1 10 . 1 1 8 8 PHE N N 8 125.873 125.873 124.126 1.747 18833 4747 1 10 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.958 0.106 18833 4748 1 10 . 1 1 8 8 PHE C C 8 171.167 171.167 173.174 -2.007 18833 4749 1 10 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.271 0.279 18833 4750 1 10 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.347 -0.014 18833 4751 1 10 . 1 1 8 8 PHE H H 8 9.498 9.498 8.957 0.541 18833 4752 1 10 . 1 1 9 9 GLU N N 9 119.065 119.065 121.237 -2.172 18833 4753 1 10 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.693 0.522 18833 4754 1 10 . 1 1 9 9 GLU C C 9 176.019 176.019 175.734 0.285 18833 4755 1 10 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.088 -1.099 18833 4756 1 10 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.812 1.599 18833 4757 1 10 . 1 1 9 9 GLU H H 9 8.502 8.502 8.464 0.038 18833 4758 1 10 . 1 1 10 10 VAL N N 10 120.078 120.078 124.080 -4.002 18833 4759 1 10 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.284 -0.149 18833 4760 1 10 . 1 1 10 10 VAL C C 10 173.177 173.177 174.213 -1.036 18833 4761 1 10 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.739 0.374 18833 4762 1 10 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.027 1.754 18833 4763 1 10 . 1 1 10 10 VAL H H 10 8.581 8.581 8.927 -0.346 18833 4764 1 10 . 1 1 11 11 GLU N N 11 126.482 126.482 126.409 0.073 18833 4765 1 10 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.170 -0.171 18833 4766 1 10 . 1 1 11 11 GLU C C 11 174.618 174.618 175.273 -0.655 18833 4767 1 10 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.983 -0.169 18833 4768 1 10 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.938 0.070 18833 4769 1 10 . 1 1 11 11 GLU H H 11 7.810 7.810 8.539 -0.729 18833 4770 1 10 . 1 1 12 12 LEU N N 12 126.093 126.093 126.890 -0.797 18833 4771 1 10 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.618 0.036 18833 4772 1 10 . 1 1 12 12 LEU C C 12 174.013 174.013 174.697 -0.684 18833 4773 1 10 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.081 0.093 18833 4774 1 10 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.558 2.308 18833 4775 1 10 . 1 1 12 12 LEU H H 12 8.888 8.888 8.230 0.658 18833 4776 1 10 . 1 1 13 13 ALA N N 13 126.137 126.137 128.958 -2.821 18833 4777 1 10 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.898 0.203 18833 4778 1 10 . 1 1 13 13 ALA C C 13 177.290 177.290 176.980 0.310 18833 4779 1 10 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.801 -0.918 18833 4780 1 10 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.595 -1.186 18833 4781 1 10 . 1 1 13 13 ALA H H 13 8.494 8.494 8.471 0.023 18833 4782 1 10 . 1 1 14 14 LYS N N 14 120.270 120.270 122.727 -2.457 18833 4783 1 10 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.325 -0.527 18833 4784 1 10 . 1 1 14 14 LYS C C 14 176.313 176.313 176.610 -0.297 18833 4785 1 10 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.175 2.623 18833 4786 1 10 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.041 2.872 18833 4787 1 10 . 1 1 14 14 LYS H H 14 8.486 8.486 8.399 0.087 18833 4788 1 10 . 1 1 15 15 ASN N N 15 117.746 117.746 117.984 -0.238 18833 4789 1 10 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.413 0.411 18833 4790 1 10 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.522 -2.743 18833 4791 1 10 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.661 1.461 18833 4792 1 10 . 1 1 15 15 ASN H H 15 8.139 8.139 7.642 0.497 18833 4793 1 10 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.539 -0.238 18833 4794 1 10 . 1 1 16 16 ASP C C 16 175.367 175.367 176.562 -1.195 18833 4795 1 10 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.940 0.512 18833 4796 1 10 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.512 -2.056 18833 4797 1 10 . 1 1 17 17 ASN N N 17 111.793 111.793 117.419 -5.626 18833 4798 1 10 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.750 -0.370 18833 4799 1 10 . 1 1 17 17 ASN C C 17 174.599 174.599 175.229 -0.630 18833 4800 1 10 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.702 0.091 18833 4801 1 10 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.323 -1.607 18833 4802 1 10 . 1 1 17 17 ASN H H 17 8.698 8.698 8.604 0.094 18833 4803 1 10 . 1 1 18 18 SER N N 18 112.321 112.321 118.288 -5.967 18833 4804 1 10 . 1 1 18 18 SER HA H 18 4.827 4.827 4.476 0.351 18833 4805 1 10 . 1 1 18 18 SER CA C 18 56.795 56.795 58.688 -1.893 18833 4806 1 10 . 1 1 18 18 SER CB C 18 64.855 64.855 63.504 1.351 18833 4807 1 10 . 1 1 18 18 SER H H 18 7.989 7.989 8.480 -0.491 18833 4808 1 10 . 1 1 19 19 LEU N N 19 127.097 127.097 124.971 2.126 18833 4809 1 10 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.220 -0.054 18833 4810 1 10 . 1 1 19 19 LEU C C 19 177.329 177.329 178.154 -0.825 18833 4811 1 10 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.150 0.363 18833 4812 1 10 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.171 1.148 18833 4813 1 10 . 1 1 19 19 LEU H H 19 9.247 9.247 8.511 0.736 18833 4814 1 10 . 1 1 20 20 GLY N N 20 104.340 104.340 105.637 -1.297 18833 4815 1 10 . 1 1 20 20 GLY C C 20 175.984 175.984 173.495 2.489 18833 4816 1 10 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.157 1.642 18833 4817 1 10 . 1 1 20 20 GLY H H 20 8.664 8.664 8.516 0.148 18833 4818 1 10 . 1 1 21 21 ILE N N 21 115.279 115.279 118.018 -2.739 18833 4819 1 10 . 1 1 21 21 ILE HA H 21 4.996 4.996 4.949 0.047 18833 4820 1 10 . 1 1 21 21 ILE C C 21 175.972 175.972 174.840 1.132 18833 4821 1 10 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.519 0.262 18833 4822 1 10 . 1 1 21 21 ILE CB C 21 42.622 42.622 42.360 0.262 18833 4823 1 10 . 1 1 21 21 ILE H H 21 7.614 7.614 7.659 -0.045 18833 4824 1 10 . 1 1 22 22 CYS N N 22 122.210 122.210 120.579 1.631 18833 4825 1 10 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.898 0.373 18833 4826 1 10 . 1 1 22 22 CYS C C 22 175.904 175.904 172.795 3.109 18833 4827 1 10 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.722 -5.777 18833 4828 1 10 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.365 3.827 18833 4829 1 10 . 1 1 22 22 CYS H H 22 8.506 8.506 8.433 0.073 18833 4830 1 10 . 1 1 23 23 VAL N N 23 117.739 117.739 115.741 1.998 18833 4831 1 10 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.366 0.101 18833 4832 1 10 . 1 1 23 23 VAL C C 23 173.821 173.821 174.014 -0.193 18833 4833 1 10 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.120 -0.299 18833 4834 1 10 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.560 0.195 18833 4835 1 10 . 1 1 23 23 VAL H H 23 9.203 9.203 8.518 0.685 18833 4836 1 10 . 1 1 24 24 THR N N 24 114.753 114.753 114.041 0.712 18833 4837 1 10 . 1 1 24 24 THR HA H 24 4.649 4.649 4.751 -0.102 18833 4838 1 10 . 1 1 24 24 THR C C 24 171.786 171.786 173.132 -1.346 18833 4839 1 10 . 1 1 24 24 THR CA C 24 59.529 59.529 59.249 0.280 18833 4840 1 10 . 1 1 24 24 THR CB C 24 70.563 70.563 70.246 0.317 18833 4841 1 10 . 1 1 24 24 THR H H 24 9.237 9.237 8.756 0.481 18833 4842 1 10 . 1 1 25 25 GLY N N 25 111.927 111.927 109.672 2.255 18833 4843 1 10 . 1 1 25 25 GLY C C 25 174.099 174.099 172.664 1.435 18833 4844 1 10 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.788 -0.176 18833 4845 1 10 . 1 1 25 25 GLY H H 25 8.291 8.291 8.587 -0.296 18833 4846 1 10 . 1 1 26 26 GLY N N 26 107.140 107.140 107.072 0.068 18833 4847 1 10 . 1 1 26 26 GLY C C 26 176.180 176.180 175.485 0.695 18833 4848 1 10 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.255 -1.452 18833 4849 1 10 . 1 1 26 26 GLY H H 26 7.545 7.545 8.097 -0.552 18833 4850 1 10 . 1 1 27 27 VAL N N 27 116.837 116.837 122.070 -5.233 18833 4851 1 10 . 1 1 27 27 VAL HA H 27 4.126 4.126 4.039 0.087 18833 4852 1 10 . 1 1 27 27 VAL C C 27 175.764 175.764 175.578 0.186 18833 4853 1 10 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.595 1.200 18833 4854 1 10 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.817 1.166 18833 4855 1 10 . 1 1 27 27 VAL H H 27 8.091 8.091 8.435 -0.344 18833 4856 1 10 . 1 1 28 28 ASN N N 28 117.997 117.997 115.306 2.691 18833 4857 1 10 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.428 0.381 18833 4858 1 10 . 1 1 28 28 ASN C C 28 174.860 174.860 174.516 0.344 18833 4859 1 10 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.926 -0.471 18833 4860 1 10 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.133 1.613 18833 4861 1 10 . 1 1 28 28 ASN H H 28 8.795 8.795 8.264 0.531 18833 4862 1 10 . 1 1 29 29 THR N N 29 111.381 111.381 113.340 -1.959 18833 4863 1 10 . 1 1 29 29 THR HA H 29 4.689 4.689 4.469 0.220 18833 4864 1 10 . 1 1 29 29 THR CA C 29 61.526 61.526 60.498 1.028 18833 4865 1 10 . 1 1 29 29 THR CB C 29 70.889 70.889 69.607 1.282 18833 4866 1 10 . 1 1 29 29 THR H H 29 7.858 7.858 8.147 -0.289 18833 4867 1 10 . 1 1 30 30 SER N N 30 114.070 114.070 115.549 -1.479 18833 4868 1 10 . 1 1 30 30 SER HA H 30 4.535 4.535 4.254 0.281 18833 4869 1 10 . 1 1 30 30 SER C C 30 174.879 174.879 174.136 0.743 18833 4870 1 10 . 1 1 30 30 SER CA C 30 58.380 58.380 59.693 -1.313 18833 4871 1 10 . 1 1 30 30 SER CB C 30 63.532 63.532 63.272 0.260 18833 4872 1 10 . 1 1 30 30 SER H H 30 8.433 8.433 8.638 -0.205 18833 4873 1 10 . 1 1 31 31 VAL N N 31 118.337 118.337 115.113 3.224 18833 4874 1 10 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.257 -0.166 18833 4875 1 10 . 1 1 31 31 VAL C C 31 176.528 176.528 176.975 -0.447 18833 4876 1 10 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.170 0.975 18833 4877 1 10 . 1 1 31 31 VAL CB C 31 32.500 32.500 33.073 -0.573 18833 4878 1 10 . 1 1 31 31 VAL H H 31 7.588 7.588 7.349 0.239 18833 4879 1 10 . 1 1 32 32 ARG N N 32 124.670 124.670 127.166 -2.496 18833 4880 1 10 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.020 -0.009 18833 4881 1 10 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.727 -0.755 18833 4882 1 10 . 1 1 32 32 ARG CB C 32 29.575 29.575 29.784 -0.209 18833 4883 1 10 . 1 1 32 32 ARG H H 32 8.511 8.511 8.705 -0.194 18833 4884 1 10 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.681 -0.108 18833 4885 1 10 . 1 1 33 33 HIS C C 33 175.064 175.064 175.879 -0.815 18833 4886 1 10 . 1 1 33 33 HIS CA C 33 56.831 56.831 55.886 0.945 18833 4887 1 10 . 1 1 33 33 HIS CB C 33 29.118 29.118 28.933 0.185 18833 4888 1 10 . 1 1 34 34 GLY N N 34 109.531 109.531 107.201 2.330 18833 4889 1 10 . 1 1 34 34 GLY C C 34 174.582 174.582 175.229 -0.647 18833 4890 1 10 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.487 1.094 18833 4891 1 10 . 1 1 34 34 GLY H H 34 8.471 8.471 7.693 0.778 18833 4892 1 10 . 1 1 35 35 GLY N N 35 105.151 105.151 106.947 -1.796 18833 4893 1 10 . 1 1 35 35 GLY C C 35 170.505 170.505 174.165 -3.660 18833 4894 1 10 . 1 1 35 35 GLY CA C 35 44.577 44.577 44.144 0.433 18833 4895 1 10 . 1 1 35 35 GLY H H 35 7.833 7.833 8.040 -0.207 18833 4896 1 10 . 1 1 36 36 ILE N N 36 119.676 119.676 124.177 -4.501 18833 4897 1 10 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.533 0.179 18833 4898 1 10 . 1 1 36 36 ILE C C 36 174.641 174.641 175.436 -0.795 18833 4899 1 10 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.098 -2.014 18833 4900 1 10 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.713 0.019 18833 4901 1 10 . 1 1 36 36 ILE H H 36 8.350 8.350 7.779 0.571 18833 4902 1 10 . 1 1 37 37 TYR N N 37 123.307 123.307 127.878 -4.571 18833 4903 1 10 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.969 0.338 18833 4904 1 10 . 1 1 37 37 TYR C C 37 176.165 176.165 176.303 -0.138 18833 4905 1 10 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.490 -1.643 18833 4906 1 10 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.019 2.310 18833 4907 1 10 . 1 1 37 37 TYR H H 37 8.892 8.892 8.720 0.172 18833 4908 1 10 . 1 1 38 38 VAL N N 38 120.580 120.580 121.997 -1.417 18833 4909 1 10 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.018 -0.282 18833 4910 1 10 . 1 1 38 38 VAL C C 38 175.983 175.983 176.317 -0.334 18833 4911 1 10 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.604 0.066 18833 4912 1 10 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.443 0.085 18833 4913 1 10 . 1 1 38 38 VAL H H 38 9.365 9.365 9.076 0.289 18833 4914 1 10 . 1 1 39 39 LYS N N 39 133.297 133.297 130.243 3.054 18833 4915 1 10 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.420 -0.035 18833 4916 1 10 . 1 1 39 39 LYS C C 39 174.520 174.520 175.616 -1.096 18833 4917 1 10 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.340 0.169 18833 4918 1 10 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.634 0.000 18833 4919 1 10 . 1 1 39 39 LYS H H 39 9.560 9.560 8.892 0.668 18833 4920 1 10 . 1 1 40 40 ALA N N 40 118.155 118.155 121.199 -3.044 18833 4921 1 10 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.682 -0.177 18833 4922 1 10 . 1 1 40 40 ALA C C 40 174.639 174.639 174.990 -0.351 18833 4923 1 10 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.633 0.162 18833 4924 1 10 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.960 0.520 18833 4925 1 10 . 1 1 40 40 ALA H H 40 7.498 7.498 7.521 -0.023 18833 4926 1 10 . 1 1 41 41 VAL N N 41 121.634 121.634 120.551 1.083 18833 4927 1 10 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.581 -0.172 18833 4928 1 10 . 1 1 41 41 VAL C C 41 175.829 175.829 175.313 0.516 18833 4929 1 10 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.446 0.858 18833 4930 1 10 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.080 -2.885 18833 4931 1 10 . 1 1 41 41 VAL H H 41 8.634 8.634 8.365 0.269 18833 4932 1 10 . 1 1 42 42 ILE N N 42 128.094 128.094 127.420 0.674 18833 4933 1 10 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.354 -0.208 18833 4934 1 10 . 1 1 42 42 ILE CA C 42 58.646 58.646 58.176 0.470 18833 4935 1 10 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.870 0.135 18833 4936 1 10 . 1 1 42 42 ILE H H 42 7.944 7.944 8.397 -0.453 18833 4937 1 10 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.545 -0.094 18833 4938 1 10 . 1 1 43 43 PRO C C 43 177.234 177.234 176.310 0.924 18833 4939 1 10 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.513 0.684 18833 4940 1 10 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.020 0.824 18833 4941 1 10 . 1 1 44 44 GLN N N 44 116.825 116.825 119.005 -2.180 18833 4942 1 10 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.899 -0.050 18833 4943 1 10 . 1 1 44 44 GLN C C 44 175.752 175.752 175.973 -0.221 18833 4944 1 10 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.720 1.412 18833 4945 1 10 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.642 -0.168 18833 4946 1 10 . 1 1 44 44 GLN H H 44 9.345 9.345 9.256 0.089 18833 4947 1 10 . 1 1 45 45 GLY N N 45 106.186 106.186 104.683 1.503 18833 4948 1 10 . 1 1 45 45 GLY C C 45 174.374 174.374 174.061 0.313 18833 4949 1 10 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.119 0.605 18833 4950 1 10 . 1 1 45 45 GLY H H 45 7.887 7.887 7.919 -0.032 18833 4951 1 10 . 1 1 46 46 ALA N N 46 120.843 120.843 123.052 -2.209 18833 4952 1 10 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.990 0.069 18833 4953 1 10 . 1 1 46 46 ALA C C 46 180.628 180.628 179.517 1.111 18833 4954 1 10 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.670 -0.635 18833 4955 1 10 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.785 -0.163 18833 4956 1 10 . 1 1 46 46 ALA H H 46 8.907 8.907 8.425 0.482 18833 4957 1 10 . 1 1 47 47 ALA N N 47 118.721 118.721 120.942 -2.221 18833 4958 1 10 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.908 0.163 18833 4959 1 10 . 1 1 47 47 ALA C C 47 180.589 180.589 179.476 1.113 18833 4960 1 10 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.310 -0.464 18833 4961 1 10 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.765 1.004 18833 4962 1 10 . 1 1 47 47 ALA H H 47 7.856 7.856 8.418 -0.562 18833 4963 1 10 . 1 1 48 48 GLU N N 48 124.373 124.373 119.207 5.166 18833 4964 1 10 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.031 -0.222 18833 4965 1 10 . 1 1 48 48 GLU C C 48 178.120 178.120 178.759 -0.639 18833 4966 1 10 . 1 1 48 48 GLU CA C 48 59.857 59.857 59.068 0.789 18833 4967 1 10 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.452 0.167 18833 4968 1 10 . 1 1 48 48 GLU H H 48 9.195 9.195 8.538 0.657 18833 4969 1 10 . 1 1 49 49 SER N N 49 113.220 113.220 114.271 -1.051 18833 4970 1 10 . 1 1 49 49 SER HA H 49 4.099 4.099 4.187 -0.088 18833 4971 1 10 . 1 1 49 49 SER C C 49 175.707 175.707 176.866 -1.159 18833 4972 1 10 . 1 1 49 49 SER CA C 49 61.168 61.168 60.858 0.309 18833 4973 1 10 . 1 1 49 49 SER CB C 49 62.775 62.775 63.240 -0.465 18833 4974 1 10 . 1 1 49 49 SER H H 49 8.020 8.020 8.192 -0.172 18833 4975 1 10 . 1 1 50 50 ASP N N 50 120.022 120.022 119.842 0.180 18833 4976 1 10 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.437 -0.057 18833 4977 1 10 . 1 1 50 50 ASP C C 50 177.650 177.650 177.628 0.022 18833 4978 1 10 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.498 1.699 18833 4979 1 10 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.478 2.757 18833 4980 1 10 . 1 1 50 50 ASP H H 50 7.579 7.579 7.987 -0.408 18833 4981 1 10 . 1 1 51 51 GLY N N 51 102.979 102.979 106.270 -3.291 18833 4982 1 10 . 1 1 51 51 GLY C C 51 175.026 175.026 174.236 0.790 18833 4983 1 10 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.687 0.659 18833 4984 1 10 . 1 1 51 51 GLY H H 51 7.364 7.364 8.354 -0.990 18833 4985 1 10 . 1 1 52 52 ARG N N 52 117.501 117.501 120.737 -3.236 18833 4986 1 10 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.066 0.242 18833 4987 1 10 . 1 1 52 52 ARG C C 52 175.898 175.898 175.951 -0.053 18833 4988 1 10 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.325 0.579 18833 4989 1 10 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.879 2.120 18833 4990 1 10 . 1 1 52 52 ARG H H 52 7.958 7.958 8.147 -0.189 18833 4991 1 10 . 1 1 53 53 ILE N N 53 120.028 120.028 118.685 1.343 18833 4992 1 10 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.222 0.010 18833 4993 1 10 . 1 1 53 53 ILE C C 53 173.773 173.773 174.539 -0.766 18833 4994 1 10 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.660 0.769 18833 4995 1 10 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.938 0.761 18833 4996 1 10 . 1 1 53 53 ILE H H 53 8.223 8.223 7.671 0.552 18833 4997 1 10 . 1 1 54 54 HIS N N 54 123.681 123.681 123.277 0.404 18833 4998 1 10 . 1 1 54 54 HIS HA H 54 4.801 4.801 5.035 -0.234 18833 4999 1 10 . 1 1 54 54 HIS C C 54 173.826 173.826 174.950 -1.124 18833 5000 1 10 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.215 0.669 18833 5001 1 10 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.735 0.764 18833 5002 1 10 . 1 1 54 54 HIS H H 54 9.073 9.073 9.497 -0.424 18833 5003 1 10 . 1 1 55 55 LYS N N 55 120.814 120.814 120.808 0.006 18833 5004 1 10 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.012 -0.402 18833 5005 1 10 . 1 1 55 55 LYS C C 55 177.014 177.014 177.391 -0.377 18833 5006 1 10 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.659 0.774 18833 5007 1 10 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.602 -0.242 18833 5008 1 10 . 1 1 55 55 LYS H H 55 8.715 8.715 8.754 -0.039 18833 5009 1 10 . 1 1 56 56 GLY N N 56 114.423 114.423 114.703 -0.280 18833 5010 1 10 . 1 1 56 56 GLY C C 56 174.469 174.469 174.247 0.222 18833 5011 1 10 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.039 -0.201 18833 5012 1 10 . 1 1 56 56 GLY H H 56 9.128 9.128 8.691 0.438 18833 5013 1 10 . 1 1 57 57 ASP N N 57 121.735 121.735 123.487 -1.752 18833 5014 1 10 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.699 0.184 18833 5015 1 10 . 1 1 57 57 ASP C C 57 174.808 174.808 174.750 0.058 18833 5016 1 10 . 1 1 57 57 ASP CA C 57 55.827 55.827 56.001 -0.174 18833 5017 1 10 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.087 -1.032 18833 5018 1 10 . 1 1 57 57 ASP H H 57 8.033 8.033 7.765 0.268 18833 5019 1 10 . 1 1 58 58 ARG N N 58 123.530 123.530 118.565 4.965 18833 5020 1 10 . 1 1 58 58 ARG HA H 58 4.638 4.638 5.006 -0.368 18833 5021 1 10 . 1 1 58 58 ARG C C 58 175.641 175.641 174.999 0.642 18833 5022 1 10 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.190 0.510 18833 5023 1 10 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.658 1.973 18833 5024 1 10 . 1 1 58 58 ARG H H 58 9.097 9.097 8.506 0.591 18833 5025 1 10 . 1 1 59 59 VAL N N 59 126.202 126.202 120.992 5.210 18833 5026 1 10 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.431 -0.526 18833 5027 1 10 . 1 1 59 59 VAL C C 59 174.515 174.515 175.494 -0.979 18833 5028 1 10 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.209 0.943 18833 5029 1 10 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.439 -2.365 18833 5030 1 10 . 1 1 59 59 VAL H H 59 8.898 8.898 8.728 0.170 18833 5031 1 10 . 1 1 60 60 LEU N N 60 127.209 127.209 120.400 6.809 18833 5032 1 10 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.804 -0.484 18833 5033 1 10 . 1 1 60 60 LEU C C 60 178.352 178.352 176.282 2.070 18833 5034 1 10 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.964 1.197 18833 5035 1 10 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.122 -0.497 18833 5036 1 10 . 1 1 60 60 LEU H H 60 9.193 9.193 8.402 0.791 18833 5037 1 10 . 1 1 61 61 ALA N N 61 118.965 118.965 120.195 -1.230 18833 5038 1 10 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.296 -0.357 18833 5039 1 10 . 1 1 61 61 ALA C C 61 175.332 175.332 175.387 -0.055 18833 5040 1 10 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.355 1.937 18833 5041 1 10 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.770 -0.683 18833 5042 1 10 . 1 1 61 61 ALA H H 61 7.759 7.759 7.414 0.345 18833 5043 1 10 . 1 1 62 62 VAL N N 62 119.695 119.695 119.524 0.171 18833 5044 1 10 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.557 -0.073 18833 5045 1 10 . 1 1 62 62 VAL C C 62 175.538 175.538 176.009 -0.471 18833 5046 1 10 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.458 -0.921 18833 5047 1 10 . 1 1 62 62 VAL CB C 62 33.961 33.961 33.971 -0.010 18833 5048 1 10 . 1 1 62 62 VAL H H 62 8.218 8.218 8.198 0.020 18833 5049 1 10 . 1 1 63 63 ASN N N 63 128.940 128.940 128.103 0.837 18833 5050 1 10 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.401 0.170 18833 5051 1 10 . 1 1 63 63 ASN C C 63 175.155 175.155 175.480 -0.325 18833 5052 1 10 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.394 0.065 18833 5053 1 10 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.250 -1.331 18833 5054 1 10 . 1 1 63 63 ASN H H 63 10.387 10.387 9.508 0.879 18833 5055 1 10 . 1 1 64 64 GLY N N 64 103.432 103.432 101.901 1.531 18833 5056 1 10 . 1 1 64 64 GLY C C 64 173.902 173.902 174.051 -0.149 18833 5057 1 10 . 1 1 64 64 GLY CA C 64 45.197 45.197 44.990 0.207 18833 5058 1 10 . 1 1 64 64 GLY H H 64 9.094 9.094 8.630 0.464 18833 5059 1 10 . 1 1 65 65 VAL N N 65 123.418 123.418 122.011 1.407 18833 5060 1 10 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.199 -0.223 18833 5061 1 10 . 1 1 65 65 VAL C C 65 175.675 175.675 175.460 0.215 18833 5062 1 10 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.015 1.047 18833 5063 1 10 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.853 -1.024 18833 5064 1 10 . 1 1 65 65 VAL H H 65 7.948 7.948 7.645 0.303 18833 5065 1 10 . 1 1 66 66 SER N N 66 121.122 121.122 124.408 -3.286 18833 5066 1 10 . 1 1 66 66 SER HA H 66 4.365 4.365 4.415 -0.050 18833 5067 1 10 . 1 1 66 66 SER C C 66 176.402 176.402 174.447 1.955 18833 5068 1 10 . 1 1 66 66 SER CA C 66 58.310 58.310 58.976 -0.666 18833 5069 1 10 . 1 1 66 66 SER CB C 66 63.651 63.651 63.029 0.622 18833 5070 1 10 . 1 1 66 66 SER H H 66 8.671 8.671 8.788 -0.117 18833 5071 1 10 . 1 1 67 67 LEU N N 67 125.351 125.351 125.562 -0.211 18833 5072 1 10 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.383 0.057 18833 5073 1 10 . 1 1 67 67 LEU C C 67 176.359 176.359 177.116 -0.757 18833 5074 1 10 . 1 1 67 67 LEU CA C 67 53.867 53.867 55.222 -1.355 18833 5075 1 10 . 1 1 67 67 LEU CB C 67 40.981 40.981 42.250 -1.269 18833 5076 1 10 . 1 1 67 67 LEU H H 67 8.205 8.205 7.876 0.329 18833 5077 1 10 . 1 1 68 68 GLU N N 68 123.211 123.211 118.341 4.870 18833 5078 1 10 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.025 0.021 18833 5079 1 10 . 1 1 68 68 GLU C C 68 177.820 177.820 177.388 0.432 18833 5080 1 10 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.959 0.576 18833 5081 1 10 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.592 -0.512 18833 5082 1 10 . 1 1 68 68 GLU H H 68 8.300 8.300 8.043 0.257 18833 5083 1 10 . 1 1 69 69 GLY N N 69 115.507 115.507 111.728 3.779 18833 5084 1 10 . 1 1 69 69 GLY C C 69 173.652 173.652 174.325 -0.673 18833 5085 1 10 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.740 0.607 18833 5086 1 10 . 1 1 69 69 GLY H H 69 8.945 8.945 8.962 -0.017 18833 5087 1 10 . 1 1 70 70 ALA N N 70 122.308 122.308 125.372 -3.064 18833 5088 1 10 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.419 0.071 18833 5089 1 10 . 1 1 70 70 ALA C C 70 179.583 179.583 176.479 3.104 18833 5090 1 10 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.309 0.175 18833 5091 1 10 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.794 -0.206 18833 5092 1 10 . 1 1 70 70 ALA H H 70 7.882 7.882 7.871 0.011 18833 5093 1 10 . 1 1 71 71 THR N N 71 111.173 111.173 111.290 -0.117 18833 5094 1 10 . 1 1 71 71 THR HA H 71 4.526 4.526 4.469 0.057 18833 5095 1 10 . 1 1 71 71 THR C C 71 174.660 174.660 175.812 -1.152 18833 5096 1 10 . 1 1 71 71 THR CA C 71 60.732 60.732 60.325 0.407 18833 5097 1 10 . 1 1 71 71 THR CB C 71 71.196 71.196 70.808 0.388 18833 5098 1 10 . 1 1 71 71 THR H H 71 8.185 8.185 8.018 0.167 18833 5099 1 10 . 1 1 72 72 HIS N N 72 121.107 121.107 118.788 2.319 18833 5100 1 10 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.336 -0.335 18833 5101 1 10 . 1 1 72 72 HIS C C 72 176.702 176.702 177.557 -0.855 18833 5102 1 10 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.643 1.809 18833 5103 1 10 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.352 0.957 18833 5104 1 10 . 1 1 72 72 HIS H H 72 9.077 9.077 8.919 0.158 18833 5105 1 10 . 1 1 73 73 LYS N N 73 116.672 116.672 119.640 -2.968 18833 5106 1 10 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.742 0.014 18833 5107 1 10 . 1 1 73 73 LYS C C 73 178.603 178.603 178.676 -0.073 18833 5108 1 10 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.399 0.623 18833 5109 1 10 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.432 1.028 18833 5110 1 10 . 1 1 73 73 LYS H H 73 8.473 8.473 7.988 0.485 18833 5111 1 10 . 1 1 74 74 GLN N N 74 116.558 116.558 118.441 -1.883 18833 5112 1 10 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.056 -0.124 18833 5113 1 10 . 1 1 74 74 GLN C C 74 179.891 179.891 178.559 1.332 18833 5114 1 10 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.607 -0.036 18833 5115 1 10 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.695 -0.370 18833 5116 1 10 . 1 1 74 74 GLN H H 74 7.568 7.568 7.593 -0.025 18833 5117 1 10 . 1 1 75 75 ALA N N 75 123.337 123.337 123.403 -0.066 18833 5118 1 10 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.053 -0.259 18833 5119 1 10 . 1 1 75 75 ALA C C 75 178.309 178.309 179.314 -1.005 18833 5120 1 10 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.216 0.452 18833 5121 1 10 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.382 0.986 18833 5122 1 10 . 1 1 75 75 ALA H H 75 8.320 8.320 8.075 0.245 18833 5123 1 10 . 1 1 76 76 VAL N N 76 118.172 118.172 118.415 -0.243 18833 5124 1 10 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.693 -0.506 18833 5125 1 10 . 1 1 76 76 VAL C C 76 179.705 179.705 177.530 2.175 18833 5126 1 10 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.812 0.340 18833 5127 1 10 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.488 -0.313 18833 5128 1 10 . 1 1 76 76 VAL H H 76 8.122 8.122 7.734 0.388 18833 5129 1 10 . 1 1 77 77 CYS N N 77 116.979 116.979 118.037 -1.058 18833 5130 1 10 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.054 0.147 18833 5131 1 10 . 1 1 77 77 CYS C C 77 177.004 177.004 177.546 -0.542 18833 5132 1 10 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.320 -1.428 18833 5133 1 10 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.517 11.026 18833 5134 1 10 . 1 1 77 77 CYS H H 77 8.327 8.327 8.047 0.280 18833 5135 1 10 . 1 1 78 78 THR N N 78 117.521 117.521 116.445 1.076 18833 5136 1 10 . 1 1 78 78 THR HA H 78 3.867 3.867 3.955 -0.088 18833 5137 1 10 . 1 1 78 78 THR C C 78 176.306 176.306 176.925 -0.619 18833 5138 1 10 . 1 1 78 78 THR CA C 78 67.197 67.197 66.516 0.681 18833 5139 1 10 . 1 1 78 78 THR CB C 78 68.145 68.145 68.701 -0.556 18833 5140 1 10 . 1 1 78 78 THR H H 78 8.259 8.259 7.901 0.358 18833 5141 1 10 . 1 1 79 79 LEU N N 79 119.714 119.714 122.834 -3.120 18833 5142 1 10 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.979 -0.143 18833 5143 1 10 . 1 1 79 79 LEU CA C 79 57.950 57.950 58.121 -0.171 18833 5144 1 10 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.317 0.311 18833 5145 1 10 . 1 1 79 79 LEU H H 79 7.748 7.748 7.550 0.198 18833 5146 1 10 . 1 1 80 80 ARG N N 80 119.613 119.613 115.329 4.284 18833 5147 1 10 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.020 0.095 18833 5148 1 10 . 1 1 80 80 ARG C C 80 177.905 177.905 177.680 0.225 18833 5149 1 10 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.901 -0.439 18833 5150 1 10 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.785 0.985 18833 5151 1 10 . 1 1 80 80 ARG H H 80 7.944 7.944 7.801 0.143 18833 5152 1 10 . 1 1 81 81 ASN N N 81 119.257 119.257 115.730 3.527 18833 5153 1 10 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.752 0.209 18833 5154 1 10 . 1 1 81 81 ASN C C 81 175.030 175.030 175.549 -0.519 18833 5155 1 10 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.283 -0.477 18833 5156 1 10 . 1 1 81 81 ASN CB C 81 37.454 37.454 40.209 -2.755 18833 5157 1 10 . 1 1 81 81 ASN H H 81 7.843 7.843 7.874 -0.031 18833 5158 1 10 . 1 1 82 82 THR N N 82 109.817 109.817 113.729 -3.912 18833 5159 1 10 . 1 1 82 82 THR HA H 82 4.391 4.391 4.486 -0.095 18833 5160 1 10 . 1 1 82 82 THR C C 82 175.114 175.114 175.205 -0.091 18833 5161 1 10 . 1 1 82 82 THR CA C 82 60.155 60.155 61.848 -1.693 18833 5162 1 10 . 1 1 82 82 THR CB C 82 72.327 72.327 70.446 1.881 18833 5163 1 10 . 1 1 82 82 THR H H 82 7.514 7.514 7.575 -0.061 18833 5164 1 10 . 1 1 83 83 GLY N N 83 109.536 109.536 106.550 2.986 18833 5165 1 10 . 1 1 83 83 GLY C C 83 173.492 173.492 174.660 -1.168 18833 5166 1 10 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.299 -0.173 18833 5167 1 10 . 1 1 83 83 GLY H H 83 8.406 8.406 8.485 -0.079 18833 5168 1 10 . 1 1 84 84 GLN N N 84 117.293 117.293 118.292 -0.999 18833 5169 1 10 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.191 -0.223 18833 5170 1 10 . 1 1 84 84 GLN C C 84 175.351 175.351 175.228 0.123 18833 5171 1 10 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.188 0.324 18833 5172 1 10 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.148 -0.125 18833 5173 1 10 . 1 1 84 84 GLN H H 84 8.218 8.218 8.602 -0.384 18833 5174 1 10 . 1 1 85 85 VAL N N 85 116.238 116.238 117.876 -1.638 18833 5175 1 10 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.589 0.103 18833 5176 1 10 . 1 1 85 85 VAL C C 85 175.864 175.864 174.901 0.963 18833 5177 1 10 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.241 0.101 18833 5178 1 10 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.218 0.156 18833 5179 1 10 . 1 1 85 85 VAL H H 85 7.715 7.715 7.653 0.062 18833 5180 1 10 . 1 1 86 86 VAL N N 86 128.273 128.273 126.096 2.177 18833 5181 1 10 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.446 0.078 18833 5182 1 10 . 1 1 86 86 VAL C C 86 173.320 173.320 174.398 -1.078 18833 5183 1 10 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.414 0.372 18833 5184 1 10 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.206 -0.101 18833 5185 1 10 . 1 1 86 86 VAL H H 86 9.034 9.034 8.317 0.717 18833 5186 1 10 . 1 1 87 87 HIS N N 87 126.224 126.224 126.465 -0.241 18833 5187 1 10 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.656 0.381 18833 5188 1 10 . 1 1 87 87 HIS C C 87 174.442 174.442 174.142 0.300 18833 5189 1 10 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.648 0.110 18833 5190 1 10 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.635 1.866 18833 5191 1 10 . 1 1 87 87 HIS H H 87 8.761 8.761 8.801 -0.040 18833 5192 1 10 . 1 1 88 88 LEU N N 88 126.604 126.604 127.467 -0.863 18833 5193 1 10 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.740 0.229 18833 5194 1 10 . 1 1 88 88 LEU C C 88 173.306 173.306 174.370 -1.064 18833 5195 1 10 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.417 0.232 18833 5196 1 10 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.209 0.079 18833 5197 1 10 . 1 1 88 88 LEU H H 88 9.045 9.045 9.066 -0.021 18833 5198 1 10 . 1 1 89 89 LEU N N 89 124.501 124.501 124.426 0.075 18833 5199 1 10 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.660 0.061 18833 5200 1 10 . 1 1 89 89 LEU C C 89 175.180 175.180 174.245 0.935 18833 5201 1 10 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.475 0.263 18833 5202 1 10 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.539 0.827 18833 5203 1 10 . 1 1 89 89 LEU H H 89 7.977 7.977 8.530 -0.553 18833 5204 1 10 . 1 1 90 90 LEU N N 90 127.520 127.520 125.921 1.599 18833 5205 1 10 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.607 0.682 18833 5206 1 10 . 1 1 90 90 LEU C C 90 173.616 173.616 174.343 -0.727 18833 5207 1 10 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.822 0.333 18833 5208 1 10 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.280 -0.260 18833 5209 1 10 . 1 1 90 90 LEU H H 90 8.896 8.896 8.728 0.168 18833 5210 1 10 . 1 1 91 91 GLU N N 91 118.964 118.964 120.093 -1.129 18833 5211 1 10 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.021 0.065 18833 5212 1 10 . 1 1 91 91 GLU C C 91 176.652 176.652 176.055 0.597 18833 5213 1 10 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.243 -0.425 18833 5214 1 10 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.451 0.455 18833 5215 1 10 . 1 1 91 91 GLU H H 91 8.825 8.825 8.399 0.426 18833 5216 1 10 . 1 1 92 92 LYS N N 92 128.805 128.805 125.668 3.137 18833 5217 1 10 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.641 -0.272 18833 5218 1 10 . 1 1 92 92 LYS C C 92 178.011 178.011 176.600 1.411 18833 5219 1 10 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.672 -0.333 18833 5220 1 10 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.152 -1.083 18833 5221 1 10 . 1 1 92 92 LYS H H 92 9.333 9.333 9.099 0.234 18833 5222 1 10 . 1 1 93 93 GLY N N 93 117.774 117.774 107.459 10.315 18833 5223 1 10 . 1 1 93 93 GLY C C 93 173.157 173.157 173.560 -0.403 18833 5224 1 10 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.812 0.363 18833 5225 1 10 . 1 1 93 93 GLY H H 93 9.735 9.735 8.627 1.108 18833 5226 1 10 . 1 1 94 94 GLN N N 94 116.912 116.912 118.186 -1.274 18833 5227 1 10 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.647 -0.383 18833 5228 1 10 . 1 1 94 94 GLN C C 94 175.955 175.955 175.282 0.673 18833 5229 1 10 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.072 1.429 18833 5230 1 10 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.625 -0.907 18833 5231 1 10 . 1 1 94 94 GLN H H 94 8.243 8.243 7.872 0.371 18833 5232 1 10 . 1 1 95 95 SER N N 95 118.157 118.157 117.426 0.731 18833 5233 1 10 . 1 1 95 95 SER HA H 95 4.662 4.662 4.685 -0.023 18833 5234 1 10 . 1 1 95 95 SER CA C 95 56.615 56.615 57.593 -0.977 18833 5235 1 10 . 1 1 95 95 SER CB C 95 63.203 63.203 62.812 0.391 18833 5236 1 10 . 1 1 95 95 SER H H 95 8.396 8.396 8.424 -0.028 18833 5237 1 10 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.481 -0.004 18833 5238 1 10 . 1 1 96 96 PRO C C 96 176.303 176.303 176.369 -0.066 18833 5239 1 10 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.265 0.249 18833 5240 1 10 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.986 -0.057 18833 5241 1 11 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.452 0.020 18833 5242 1 11 . 1 1 2 2 PRO C C 2 175.867 175.867 176.355 -0.488 18833 5243 1 11 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.339 0.501 18833 5244 1 11 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.339 -0.026 18833 5245 1 11 . 1 1 3 3 LYS N N 3 124.698 124.698 121.178 3.520 18833 5246 1 11 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.518 0.089 18833 5247 1 11 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.480 -0.873 18833 5248 1 11 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.463 -0.876 18833 5249 1 11 . 1 1 3 3 LYS H H 3 8.933 8.933 8.384 0.549 18833 5250 1 11 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.193 -0.252 18833 5251 1 11 . 1 1 4 4 PRO C C 4 177.504 177.504 177.573 -0.069 18833 5252 1 11 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.765 0.747 18833 5253 1 11 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.253 0.417 18833 5254 1 11 . 1 1 5 5 GLY N N 5 113.652 113.652 113.254 0.398 18833 5255 1 11 . 1 1 5 5 GLY C C 5 174.146 174.146 173.741 0.405 18833 5256 1 11 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.971 0.101 18833 5257 1 11 . 1 1 5 5 GLY H H 5 9.014 9.014 8.334 0.680 18833 5258 1 11 . 1 1 6 6 ASP N N 6 121.766 121.766 120.587 1.179 18833 5259 1 11 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.896 -0.225 18833 5260 1 11 . 1 1 6 6 ASP C C 6 175.762 175.762 175.080 0.682 18833 5261 1 11 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.843 2.056 18833 5262 1 11 . 1 1 6 6 ASP CB C 6 41.406 41.406 43.130 -1.724 18833 5263 1 11 . 1 1 6 6 ASP H H 6 8.489 8.489 7.932 0.557 18833 5264 1 11 . 1 1 7 7 ILE N N 7 121.794 121.794 122.660 -0.866 18833 5265 1 11 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.988 0.345 18833 5266 1 11 . 1 1 7 7 ILE C C 7 176.854 176.854 175.679 1.175 18833 5267 1 11 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.045 -0.414 18833 5268 1 11 . 1 1 7 7 ILE CB C 7 38.215 38.215 40.047 -1.832 18833 5269 1 11 . 1 1 7 7 ILE H H 7 8.368 8.368 8.358 0.010 18833 5270 1 11 . 1 1 8 8 PHE N N 8 125.873 125.873 123.943 1.930 18833 5271 1 11 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.975 0.089 18833 5272 1 11 . 1 1 8 8 PHE C C 8 171.167 171.167 173.295 -2.128 18833 5273 1 11 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.423 0.127 18833 5274 1 11 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.236 0.097 18833 5275 1 11 . 1 1 8 8 PHE H H 8 9.498 9.498 8.724 0.774 18833 5276 1 11 . 1 1 9 9 GLU N N 9 119.065 119.065 119.874 -0.809 18833 5277 1 11 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.813 0.402 18833 5278 1 11 . 1 1 9 9 GLU C C 9 176.019 176.019 175.509 0.510 18833 5279 1 11 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.816 -1.827 18833 5280 1 11 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.028 2.383 18833 5281 1 11 . 1 1 9 9 GLU H H 9 8.502 8.502 8.621 -0.119 18833 5282 1 11 . 1 1 10 10 VAL N N 10 120.078 120.078 122.272 -2.194 18833 5283 1 11 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.491 -0.356 18833 5284 1 11 . 1 1 10 10 VAL C C 10 173.177 173.177 174.210 -1.033 18833 5285 1 11 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.398 0.715 18833 5286 1 11 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.571 1.210 18833 5287 1 11 . 1 1 10 10 VAL H H 10 8.581 8.581 9.186 -0.605 18833 5288 1 11 . 1 1 11 11 GLU N N 11 126.482 126.482 127.036 -0.554 18833 5289 1 11 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.190 -0.191 18833 5290 1 11 . 1 1 11 11 GLU C C 11 174.618 174.618 174.945 -0.327 18833 5291 1 11 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.591 0.223 18833 5292 1 11 . 1 1 11 11 GLU CB C 11 31.008 31.008 31.357 -0.349 18833 5293 1 11 . 1 1 11 11 GLU H H 11 7.810 7.810 8.662 -0.852 18833 5294 1 11 . 1 1 12 12 LEU N N 12 126.093 126.093 126.061 0.032 18833 5295 1 11 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.688 -0.034 18833 5296 1 11 . 1 1 12 12 LEU C C 12 174.013 174.013 174.895 -0.882 18833 5297 1 11 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.200 -0.026 18833 5298 1 11 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.148 1.718 18833 5299 1 11 . 1 1 12 12 LEU H H 12 8.888 8.888 8.776 0.112 18833 5300 1 11 . 1 1 13 13 ALA N N 13 126.137 126.137 128.769 -2.632 18833 5301 1 11 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.760 0.341 18833 5302 1 11 . 1 1 13 13 ALA C C 13 177.290 177.290 177.380 -0.090 18833 5303 1 11 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.813 -0.930 18833 5304 1 11 . 1 1 13 13 ALA CB C 13 19.409 19.409 21.125 -1.716 18833 5305 1 11 . 1 1 13 13 ALA H H 13 8.494 8.494 8.648 -0.154 18833 5306 1 11 . 1 1 14 14 LYS N N 14 120.270 120.270 121.557 -1.287 18833 5307 1 11 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.476 -0.678 18833 5308 1 11 . 1 1 14 14 LYS C C 14 176.313 176.313 176.290 0.023 18833 5309 1 11 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.159 2.639 18833 5310 1 11 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.308 2.604 18833 5311 1 11 . 1 1 14 14 LYS H H 14 8.486 8.486 8.126 0.360 18833 5312 1 11 . 1 1 15 15 ASN N N 15 117.746 117.746 117.767 -0.021 18833 5313 1 11 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.563 0.261 18833 5314 1 11 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.046 -2.267 18833 5315 1 11 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.493 1.629 18833 5316 1 11 . 1 1 15 15 ASN H H 15 8.139 8.139 8.072 0.067 18833 5317 1 11 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.566 -0.265 18833 5318 1 11 . 1 1 16 16 ASP C C 16 175.367 175.367 176.138 -0.771 18833 5319 1 11 . 1 1 16 16 ASP CA C 16 55.452 55.452 56.722 -1.270 18833 5320 1 11 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.684 -2.228 18833 5321 1 11 . 1 1 17 17 ASN N N 17 111.793 111.793 114.206 -2.413 18833 5322 1 11 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.837 -0.457 18833 5323 1 11 . 1 1 17 17 ASN C C 17 174.599 174.599 173.853 0.746 18833 5324 1 11 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.367 1.426 18833 5325 1 11 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.059 -1.343 18833 5326 1 11 . 1 1 17 17 ASN H H 17 8.698 8.698 8.241 0.457 18833 5327 1 11 . 1 1 18 18 SER N N 18 112.321 112.321 116.312 -3.991 18833 5328 1 11 . 1 1 18 18 SER HA H 18 4.827 4.827 4.363 0.464 18833 5329 1 11 . 1 1 18 18 SER CA C 18 56.795 56.795 59.860 -3.065 18833 5330 1 11 . 1 1 18 18 SER CB C 18 64.855 64.855 63.842 1.013 18833 5331 1 11 . 1 1 18 18 SER H H 18 7.989 7.989 8.393 -0.404 18833 5332 1 11 . 1 1 19 19 LEU N N 19 127.097 127.097 123.237 3.860 18833 5333 1 11 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.014 0.152 18833 5334 1 11 . 1 1 19 19 LEU C C 19 177.329 177.329 178.457 -1.128 18833 5335 1 11 . 1 1 19 19 LEU CA C 19 56.513 56.513 57.364 -0.851 18833 5336 1 11 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.762 1.557 18833 5337 1 11 . 1 1 19 19 LEU H H 19 9.247 9.247 8.627 0.620 18833 5338 1 11 . 1 1 20 20 GLY N N 20 104.340 104.340 104.269 0.071 18833 5339 1 11 . 1 1 20 20 GLY C C 20 175.984 175.984 173.763 2.221 18833 5340 1 11 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.415 1.384 18833 5341 1 11 . 1 1 20 20 GLY H H 20 8.664 8.664 8.287 0.377 18833 5342 1 11 . 1 1 21 21 ILE N N 21 115.279 115.279 118.476 -3.197 18833 5343 1 11 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.181 -0.185 18833 5344 1 11 . 1 1 21 21 ILE C C 21 175.972 175.972 175.294 0.678 18833 5345 1 11 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.724 0.057 18833 5346 1 11 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.668 0.954 18833 5347 1 11 . 1 1 21 21 ILE H H 21 7.614 7.614 7.778 -0.164 18833 5348 1 11 . 1 1 22 22 CYS N N 22 122.210 122.210 122.030 0.180 18833 5349 1 11 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.121 0.150 18833 5350 1 11 . 1 1 22 22 CYS C C 22 175.904 175.904 172.980 2.924 18833 5351 1 11 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.518 -5.573 18833 5352 1 11 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.868 4.324 18833 5353 1 11 . 1 1 22 22 CYS H H 22 8.506 8.506 8.627 -0.121 18833 5354 1 11 . 1 1 23 23 VAL N N 23 117.739 117.739 115.852 1.887 18833 5355 1 11 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.392 0.075 18833 5356 1 11 . 1 1 23 23 VAL C C 23 173.821 173.821 174.051 -0.230 18833 5357 1 11 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.108 -0.288 18833 5358 1 11 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.636 0.119 18833 5359 1 11 . 1 1 23 23 VAL H H 23 9.203 9.203 8.468 0.735 18833 5360 1 11 . 1 1 24 24 THR N N 24 114.753 114.753 114.057 0.696 18833 5361 1 11 . 1 1 24 24 THR HA H 24 4.649 4.649 4.730 -0.081 18833 5362 1 11 . 1 1 24 24 THR C C 24 171.786 171.786 173.166 -1.380 18833 5363 1 11 . 1 1 24 24 THR CA C 24 59.529 59.529 59.326 0.203 18833 5364 1 11 . 1 1 24 24 THR CB C 24 70.563 70.563 70.344 0.219 18833 5365 1 11 . 1 1 24 24 THR H H 24 9.237 9.237 8.610 0.627 18833 5366 1 11 . 1 1 25 25 GLY N N 25 111.927 111.927 109.047 2.880 18833 5367 1 11 . 1 1 25 25 GLY C C 25 174.099 174.099 172.525 1.574 18833 5368 1 11 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.634 -0.022 18833 5369 1 11 . 1 1 25 25 GLY H H 25 8.291 8.291 8.419 -0.128 18833 5370 1 11 . 1 1 26 26 GLY N N 26 107.140 107.140 106.910 0.230 18833 5371 1 11 . 1 1 26 26 GLY C C 26 176.180 176.180 175.087 1.093 18833 5372 1 11 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.280 -1.477 18833 5373 1 11 . 1 1 26 26 GLY H H 26 7.545 7.545 7.893 -0.348 18833 5374 1 11 . 1 1 27 27 VAL N N 27 116.837 116.837 120.897 -4.060 18833 5375 1 11 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.945 0.181 18833 5376 1 11 . 1 1 27 27 VAL C C 27 175.764 175.764 175.765 -0.001 18833 5377 1 11 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.504 1.291 18833 5378 1 11 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.539 1.444 18833 5379 1 11 . 1 1 27 27 VAL H H 27 8.091 8.091 8.287 -0.196 18833 5380 1 11 . 1 1 28 28 ASN N N 28 117.997 117.997 117.234 0.763 18833 5381 1 11 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.395 0.414 18833 5382 1 11 . 1 1 28 28 ASN C C 28 174.860 174.860 174.332 0.528 18833 5383 1 11 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.743 -0.288 18833 5384 1 11 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.196 0.551 18833 5385 1 11 . 1 1 28 28 ASN H H 28 8.795 8.795 8.234 0.561 18833 5386 1 11 . 1 1 29 29 THR N N 29 111.381 111.381 113.746 -2.365 18833 5387 1 11 . 1 1 29 29 THR HA H 29 4.689 4.689 4.514 0.175 18833 5388 1 11 . 1 1 29 29 THR CA C 29 61.526 61.526 59.993 1.533 18833 5389 1 11 . 1 1 29 29 THR CB C 29 70.889 70.889 69.716 1.173 18833 5390 1 11 . 1 1 29 29 THR H H 29 7.858 7.858 8.121 -0.263 18833 5391 1 11 . 1 1 30 30 SER N N 30 114.070 114.070 115.947 -1.877 18833 5392 1 11 . 1 1 30 30 SER HA H 30 4.535 4.535 4.103 0.432 18833 5393 1 11 . 1 1 30 30 SER C C 30 174.879 174.879 174.165 0.714 18833 5394 1 11 . 1 1 30 30 SER CA C 30 58.380 58.380 60.417 -2.037 18833 5395 1 11 . 1 1 30 30 SER CB C 30 63.532 63.532 63.138 0.394 18833 5396 1 11 . 1 1 30 30 SER H H 30 8.433 8.433 8.708 -0.275 18833 5397 1 11 . 1 1 31 31 VAL N N 31 118.337 118.337 115.889 2.448 18833 5398 1 11 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.254 -0.163 18833 5399 1 11 . 1 1 31 31 VAL C C 31 176.528 176.528 175.573 0.955 18833 5400 1 11 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.272 0.873 18833 5401 1 11 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.931 -0.430 18833 5402 1 11 . 1 1 31 31 VAL H H 31 7.588 7.588 7.450 0.138 18833 5403 1 11 . 1 1 32 32 ARG N N 32 124.670 124.670 126.438 -1.768 18833 5404 1 11 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.330 -0.319 18833 5405 1 11 . 1 1 32 32 ARG CA C 32 57.972 57.972 57.633 0.339 18833 5406 1 11 . 1 1 32 32 ARG CB C 32 29.575 29.575 29.985 -0.410 18833 5407 1 11 . 1 1 32 32 ARG H H 32 8.511 8.511 8.730 -0.219 18833 5408 1 11 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.436 0.137 18833 5409 1 11 . 1 1 33 33 HIS C C 33 175.064 175.064 175.933 -0.869 18833 5410 1 11 . 1 1 33 33 HIS CA C 33 56.831 56.831 57.018 -0.187 18833 5411 1 11 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.691 -0.573 18833 5412 1 11 . 1 1 34 34 GLY N N 34 109.531 109.531 106.214 3.317 18833 5413 1 11 . 1 1 34 34 GLY C C 34 174.582 174.582 174.831 -0.249 18833 5414 1 11 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.651 0.930 18833 5415 1 11 . 1 1 34 34 GLY H H 34 8.471 8.471 7.656 0.815 18833 5416 1 11 . 1 1 35 35 GLY N N 35 105.151 105.151 107.771 -2.620 18833 5417 1 11 . 1 1 35 35 GLY C C 35 170.505 170.505 174.242 -3.737 18833 5418 1 11 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.779 0.798 18833 5419 1 11 . 1 1 35 35 GLY H H 35 7.833 7.833 7.728 0.105 18833 5420 1 11 . 1 1 36 36 ILE N N 36 119.676 119.676 122.819 -3.143 18833 5421 1 11 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.419 0.293 18833 5422 1 11 . 1 1 36 36 ILE C C 36 174.641 174.641 175.377 -0.736 18833 5423 1 11 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.058 -1.974 18833 5424 1 11 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.633 0.099 18833 5425 1 11 . 1 1 36 36 ILE H H 36 8.350 8.350 7.640 0.710 18833 5426 1 11 . 1 1 37 37 TYR N N 37 123.307 123.307 127.753 -4.446 18833 5427 1 11 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.893 0.414 18833 5428 1 11 . 1 1 37 37 TYR C C 37 176.165 176.165 176.343 -0.178 18833 5429 1 11 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.738 -1.891 18833 5430 1 11 . 1 1 37 37 TYR CB C 37 42.329 42.329 39.912 2.417 18833 5431 1 11 . 1 1 37 37 TYR H H 37 8.892 8.892 8.671 0.221 18833 5432 1 11 . 1 1 38 38 VAL N N 38 120.580 120.580 121.498 -0.918 18833 5433 1 11 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.037 -0.301 18833 5434 1 11 . 1 1 38 38 VAL C C 38 175.983 175.983 176.123 -0.140 18833 5435 1 11 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.467 0.203 18833 5436 1 11 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.488 0.040 18833 5437 1 11 . 1 1 38 38 VAL H H 38 9.365 9.365 9.132 0.233 18833 5438 1 11 . 1 1 39 39 LYS N N 39 133.297 133.297 129.925 3.372 18833 5439 1 11 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.470 -0.085 18833 5440 1 11 . 1 1 39 39 LYS C C 39 174.520 174.520 175.579 -1.059 18833 5441 1 11 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.093 0.416 18833 5442 1 11 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.908 -0.274 18833 5443 1 11 . 1 1 39 39 LYS H H 39 9.560 9.560 9.067 0.493 18833 5444 1 11 . 1 1 40 40 ALA N N 40 118.155 118.155 120.915 -2.760 18833 5445 1 11 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.591 -0.086 18833 5446 1 11 . 1 1 40 40 ALA C C 40 174.639 174.639 175.048 -0.409 18833 5447 1 11 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.872 -0.077 18833 5448 1 11 . 1 1 40 40 ALA CB C 40 22.480 22.480 22.138 0.342 18833 5449 1 11 . 1 1 40 40 ALA H H 40 7.498 7.498 7.553 -0.055 18833 5450 1 11 . 1 1 41 41 VAL N N 41 121.634 121.634 120.208 1.426 18833 5451 1 11 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.891 -0.482 18833 5452 1 11 . 1 1 41 41 VAL C C 41 175.829 175.829 175.717 0.112 18833 5453 1 11 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.454 0.850 18833 5454 1 11 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.755 -2.560 18833 5455 1 11 . 1 1 41 41 VAL H H 41 8.634 8.634 8.078 0.556 18833 5456 1 11 . 1 1 42 42 ILE N N 42 128.094 128.094 128.339 -0.245 18833 5457 1 11 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.274 -0.128 18833 5458 1 11 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.518 -0.872 18833 5459 1 11 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.594 -0.589 18833 5460 1 11 . 1 1 42 42 ILE H H 42 7.944 7.944 8.982 -1.038 18833 5461 1 11 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.603 -0.152 18833 5462 1 11 . 1 1 43 43 PRO C C 43 177.234 177.234 176.318 0.916 18833 5463 1 11 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.245 0.952 18833 5464 1 11 . 1 1 43 43 PRO CB C 43 31.845 31.845 30.871 0.974 18833 5465 1 11 . 1 1 44 44 GLN N N 44 116.825 116.825 115.986 0.839 18833 5466 1 11 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.953 -0.104 18833 5467 1 11 . 1 1 44 44 GLN C C 44 175.752 175.752 175.500 0.252 18833 5468 1 11 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.745 1.387 18833 5469 1 11 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.364 0.110 18833 5470 1 11 . 1 1 44 44 GLN H H 44 9.345 9.345 9.125 0.220 18833 5471 1 11 . 1 1 45 45 GLY N N 45 106.186 106.186 105.285 0.901 18833 5472 1 11 . 1 1 45 45 GLY C C 45 174.374 174.374 174.187 0.187 18833 5473 1 11 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.202 0.522 18833 5474 1 11 . 1 1 45 45 GLY H H 45 7.887 7.887 7.625 0.262 18833 5475 1 11 . 1 1 46 46 ALA N N 46 120.843 120.843 123.130 -2.287 18833 5476 1 11 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.975 0.084 18833 5477 1 11 . 1 1 46 46 ALA C C 46 180.628 180.628 179.385 1.243 18833 5478 1 11 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.289 -0.254 18833 5479 1 11 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.875 -0.253 18833 5480 1 11 . 1 1 46 46 ALA H H 46 8.907 8.907 8.487 0.420 18833 5481 1 11 . 1 1 47 47 ALA N N 47 118.721 118.721 120.906 -2.185 18833 5482 1 11 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.879 0.192 18833 5483 1 11 . 1 1 47 47 ALA C C 47 180.589 180.589 178.948 1.641 18833 5484 1 11 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.501 -0.655 18833 5485 1 11 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.058 0.711 18833 5486 1 11 . 1 1 47 47 ALA H H 47 7.856 7.856 8.296 -0.440 18833 5487 1 11 . 1 1 48 48 GLU N N 48 124.373 124.373 119.346 5.027 18833 5488 1 11 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.011 -0.202 18833 5489 1 11 . 1 1 48 48 GLU C C 48 178.120 178.120 178.669 -0.549 18833 5490 1 11 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.976 0.881 18833 5491 1 11 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.499 0.120 18833 5492 1 11 . 1 1 48 48 GLU H H 48 9.195 9.195 8.596 0.599 18833 5493 1 11 . 1 1 49 49 SER N N 49 113.220 113.220 113.812 -0.592 18833 5494 1 11 . 1 1 49 49 SER HA H 49 4.099 4.099 4.224 -0.125 18833 5495 1 11 . 1 1 49 49 SER C C 49 175.707 175.707 176.603 -0.896 18833 5496 1 11 . 1 1 49 49 SER CA C 49 61.168 61.168 60.669 0.499 18833 5497 1 11 . 1 1 49 49 SER CB C 49 62.775 62.775 63.126 -0.351 18833 5498 1 11 . 1 1 49 49 SER H H 49 8.020 8.020 7.961 0.059 18833 5499 1 11 . 1 1 50 50 ASP N N 50 120.022 120.022 119.806 0.216 18833 5500 1 11 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.509 -0.129 18833 5501 1 11 . 1 1 50 50 ASP C C 50 177.650 177.650 177.602 0.048 18833 5502 1 11 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.732 1.465 18833 5503 1 11 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.547 2.688 18833 5504 1 11 . 1 1 50 50 ASP H H 50 7.579 7.579 8.036 -0.457 18833 5505 1 11 . 1 1 51 51 GLY N N 51 102.979 102.979 108.533 -5.554 18833 5506 1 11 . 1 1 51 51 GLY C C 51 175.026 175.026 173.644 1.382 18833 5507 1 11 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.739 0.607 18833 5508 1 11 . 1 1 51 51 GLY H H 51 7.364 7.364 8.352 -0.988 18833 5509 1 11 . 1 1 52 52 ARG N N 52 117.501 117.501 120.632 -3.131 18833 5510 1 11 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.055 0.253 18833 5511 1 11 . 1 1 52 52 ARG C C 52 175.898 175.898 176.634 -0.736 18833 5512 1 11 . 1 1 52 52 ARG CA C 52 57.904 57.904 58.127 -0.223 18833 5513 1 11 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.904 2.095 18833 5514 1 11 . 1 1 52 52 ARG H H 52 7.958 7.958 7.757 0.201 18833 5515 1 11 . 1 1 53 53 ILE N N 53 120.028 120.028 118.501 1.527 18833 5516 1 11 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.379 -0.147 18833 5517 1 11 . 1 1 53 53 ILE C C 53 173.773 173.773 175.007 -1.234 18833 5518 1 11 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.951 0.478 18833 5519 1 11 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.868 0.831 18833 5520 1 11 . 1 1 53 53 ILE H H 53 8.223 8.223 7.970 0.253 18833 5521 1 11 . 1 1 54 54 HIS N N 54 123.681 123.681 124.944 -1.263 18833 5522 1 11 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.887 -0.086 18833 5523 1 11 . 1 1 54 54 HIS C C 54 173.826 173.826 174.295 -0.469 18833 5524 1 11 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.491 0.394 18833 5525 1 11 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.292 0.207 18833 5526 1 11 . 1 1 54 54 HIS H H 54 9.073 9.073 9.654 -0.581 18833 5527 1 11 . 1 1 55 55 LYS N N 55 120.814 120.814 120.882 -0.068 18833 5528 1 11 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.053 -0.443 18833 5529 1 11 . 1 1 55 55 LYS C C 55 177.014 177.014 177.458 -0.444 18833 5530 1 11 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.767 0.666 18833 5531 1 11 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.680 -0.320 18833 5532 1 11 . 1 1 55 55 LYS H H 55 8.715 8.715 8.574 0.141 18833 5533 1 11 . 1 1 56 56 GLY N N 56 114.423 114.423 114.909 -0.486 18833 5534 1 11 . 1 1 56 56 GLY C C 56 174.469 174.469 173.888 0.581 18833 5535 1 11 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.092 -0.254 18833 5536 1 11 . 1 1 56 56 GLY H H 56 9.128 9.128 8.555 0.573 18833 5537 1 11 . 1 1 57 57 ASP N N 57 121.735 121.735 122.679 -0.944 18833 5538 1 11 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.923 -0.040 18833 5539 1 11 . 1 1 57 57 ASP C C 57 174.808 174.808 174.472 0.336 18833 5540 1 11 . 1 1 57 57 ASP CA C 57 55.827 55.827 54.959 0.868 18833 5541 1 11 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.176 -1.121 18833 5542 1 11 . 1 1 57 57 ASP H H 57 8.033 8.033 7.646 0.387 18833 5543 1 11 . 1 1 58 58 ARG N N 58 123.530 123.530 122.537 0.993 18833 5544 1 11 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.711 -0.073 18833 5545 1 11 . 1 1 58 58 ARG C C 58 175.641 175.641 174.354 1.287 18833 5546 1 11 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.007 0.693 18833 5547 1 11 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.254 1.377 18833 5548 1 11 . 1 1 58 58 ARG H H 58 9.097 9.097 8.441 0.656 18833 5549 1 11 . 1 1 59 59 VAL N N 59 126.202 126.202 125.966 0.236 18833 5550 1 11 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.363 -0.458 18833 5551 1 11 . 1 1 59 59 VAL C C 59 174.515 174.515 175.371 -0.856 18833 5552 1 11 . 1 1 59 59 VAL CA C 59 62.152 62.152 62.076 0.076 18833 5553 1 11 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.075 -1.001 18833 5554 1 11 . 1 1 59 59 VAL H H 59 8.898 8.898 8.966 -0.068 18833 5555 1 11 . 1 1 60 60 LEU N N 60 127.209 127.209 121.178 6.031 18833 5556 1 11 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.828 -0.508 18833 5557 1 11 . 1 1 60 60 LEU C C 60 178.352 178.352 175.846 2.506 18833 5558 1 11 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.153 1.008 18833 5559 1 11 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.360 -0.735 18833 5560 1 11 . 1 1 60 60 LEU H H 60 9.193 9.193 8.862 0.331 18833 5561 1 11 . 1 1 61 61 ALA N N 61 118.965 118.965 119.488 -0.523 18833 5562 1 11 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.451 -0.512 18833 5563 1 11 . 1 1 61 61 ALA C C 61 175.332 175.332 175.524 -0.192 18833 5564 1 11 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.037 2.255 18833 5565 1 11 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.686 -0.600 18833 5566 1 11 . 1 1 61 61 ALA H H 61 7.759 7.759 7.566 0.193 18833 5567 1 11 . 1 1 62 62 VAL N N 62 119.695 119.695 119.154 0.541 18833 5568 1 11 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.563 -0.079 18833 5569 1 11 . 1 1 62 62 VAL C C 62 175.538 175.538 175.842 -0.304 18833 5570 1 11 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.315 -0.778 18833 5571 1 11 . 1 1 62 62 VAL CB C 62 33.961 33.961 33.911 0.049 18833 5572 1 11 . 1 1 62 62 VAL H H 62 8.218 8.218 8.115 0.103 18833 5573 1 11 . 1 1 63 63 ASN N N 63 128.940 128.940 127.572 1.368 18833 5574 1 11 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.444 0.127 18833 5575 1 11 . 1 1 63 63 ASN C C 63 175.155 175.155 175.562 -0.407 18833 5576 1 11 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.352 0.106 18833 5577 1 11 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.161 -1.242 18833 5578 1 11 . 1 1 63 63 ASN H H 63 10.387 10.387 9.368 1.019 18833 5579 1 11 . 1 1 64 64 GLY N N 64 103.432 103.432 103.040 0.392 18833 5580 1 11 . 1 1 64 64 GLY C C 64 173.902 173.902 173.914 -0.012 18833 5581 1 11 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.034 0.163 18833 5582 1 11 . 1 1 64 64 GLY H H 64 9.094 9.094 8.535 0.559 18833 5583 1 11 . 1 1 65 65 VAL N N 65 123.418 123.418 121.783 1.635 18833 5584 1 11 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.144 -0.168 18833 5585 1 11 . 1 1 65 65 VAL C C 65 175.675 175.675 175.593 0.082 18833 5586 1 11 . 1 1 65 65 VAL CA C 65 62.062 62.062 60.718 1.344 18833 5587 1 11 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.209 -0.379 18833 5588 1 11 . 1 1 65 65 VAL H H 65 7.948 7.948 7.563 0.385 18833 5589 1 11 . 1 1 66 66 SER N N 66 121.122 121.122 123.939 -2.817 18833 5590 1 11 . 1 1 66 66 SER HA H 66 4.365 4.365 4.468 -0.103 18833 5591 1 11 . 1 1 66 66 SER C C 66 176.402 176.402 174.468 1.934 18833 5592 1 11 . 1 1 66 66 SER CA C 66 58.310 58.310 59.014 -0.704 18833 5593 1 11 . 1 1 66 66 SER CB C 66 63.651 63.651 63.355 0.296 18833 5594 1 11 . 1 1 66 66 SER H H 66 8.671 8.671 8.743 -0.072 18833 5595 1 11 . 1 1 67 67 LEU N N 67 125.351 125.351 125.519 -0.168 18833 5596 1 11 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.430 0.010 18833 5597 1 11 . 1 1 67 67 LEU C C 67 176.359 176.359 176.665 -0.306 18833 5598 1 11 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.026 -0.159 18833 5599 1 11 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.045 -0.064 18833 5600 1 11 . 1 1 67 67 LEU H H 67 8.205 8.205 8.328 -0.123 18833 5601 1 11 . 1 1 68 68 GLU N N 68 123.211 123.211 119.477 3.734 18833 5602 1 11 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.163 -0.117 18833 5603 1 11 . 1 1 68 68 GLU C C 68 177.820 177.820 177.600 0.220 18833 5604 1 11 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.539 0.995 18833 5605 1 11 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.555 -0.475 18833 5606 1 11 . 1 1 68 68 GLU H H 68 8.300 8.300 8.032 0.268 18833 5607 1 11 . 1 1 69 69 GLY N N 69 115.507 115.507 111.328 4.179 18833 5608 1 11 . 1 1 69 69 GLY C C 69 173.652 173.652 174.211 -0.559 18833 5609 1 11 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.846 0.501 18833 5610 1 11 . 1 1 69 69 GLY H H 69 8.945 8.945 8.848 0.097 18833 5611 1 11 . 1 1 70 70 ALA N N 70 122.308 122.308 123.933 -1.625 18833 5612 1 11 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.380 0.110 18833 5613 1 11 . 1 1 70 70 ALA C C 70 179.583 179.583 176.701 2.882 18833 5614 1 11 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.115 0.369 18833 5615 1 11 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.869 -0.281 18833 5616 1 11 . 1 1 70 70 ALA H H 70 7.882 7.882 7.447 0.435 18833 5617 1 11 . 1 1 71 71 THR N N 71 111.173 111.173 112.934 -1.761 18833 5618 1 11 . 1 1 71 71 THR HA H 71 4.526 4.526 4.464 0.062 18833 5619 1 11 . 1 1 71 71 THR C C 71 174.660 174.660 176.005 -1.345 18833 5620 1 11 . 1 1 71 71 THR CA C 71 60.732 60.732 60.376 0.356 18833 5621 1 11 . 1 1 71 71 THR CB C 71 71.196 71.196 71.011 0.185 18833 5622 1 11 . 1 1 71 71 THR H H 71 8.185 8.185 8.133 0.052 18833 5623 1 11 . 1 1 72 72 HIS N N 72 121.107 121.107 119.165 1.942 18833 5624 1 11 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.333 -0.332 18833 5625 1 11 . 1 1 72 72 HIS C C 72 176.702 176.702 177.369 -0.667 18833 5626 1 11 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.375 2.077 18833 5627 1 11 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.356 0.953 18833 5628 1 11 . 1 1 72 72 HIS H H 72 9.077 9.077 8.919 0.158 18833 5629 1 11 . 1 1 73 73 LYS N N 73 116.672 116.672 118.103 -1.431 18833 5630 1 11 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.813 -0.057 18833 5631 1 11 . 1 1 73 73 LYS C C 73 178.603 178.603 178.974 -0.371 18833 5632 1 11 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.671 0.351 18833 5633 1 11 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.702 0.758 18833 5634 1 11 . 1 1 73 73 LYS H H 73 8.473 8.473 7.985 0.488 18833 5635 1 11 . 1 1 74 74 GLN N N 74 116.558 116.558 118.662 -2.104 18833 5636 1 11 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.081 -0.149 18833 5637 1 11 . 1 1 74 74 GLN C C 74 179.891 179.891 178.216 1.675 18833 5638 1 11 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.260 0.311 18833 5639 1 11 . 1 1 74 74 GLN CB C 74 28.325 28.325 27.682 0.643 18833 5640 1 11 . 1 1 74 74 GLN H H 74 7.568 7.568 7.690 -0.122 18833 5641 1 11 . 1 1 75 75 ALA N N 75 123.337 123.337 122.136 1.201 18833 5642 1 11 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.098 -0.304 18833 5643 1 11 . 1 1 75 75 ALA C C 75 178.309 178.309 178.951 -0.642 18833 5644 1 11 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.326 0.342 18833 5645 1 11 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.250 1.118 18833 5646 1 11 . 1 1 75 75 ALA H H 75 8.320 8.320 7.577 0.743 18833 5647 1 11 . 1 1 76 76 VAL N N 76 118.172 118.172 118.879 -0.707 18833 5648 1 11 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.669 -0.482 18833 5649 1 11 . 1 1 76 76 VAL C C 76 179.705 179.705 177.543 2.162 18833 5650 1 11 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.531 0.621 18833 5651 1 11 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.718 -0.543 18833 5652 1 11 . 1 1 76 76 VAL H H 76 8.122 8.122 7.223 0.899 18833 5653 1 11 . 1 1 77 77 CYS N N 77 116.979 116.979 117.923 -0.944 18833 5654 1 11 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.063 0.138 18833 5655 1 11 . 1 1 77 77 CYS C C 77 177.004 177.004 177.532 -0.528 18833 5656 1 11 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.174 -1.282 18833 5657 1 11 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.406 11.137 18833 5658 1 11 . 1 1 77 77 CYS H H 77 8.327 8.327 8.626 -0.299 18833 5659 1 11 . 1 1 78 78 THR N N 78 117.521 117.521 116.901 0.620 18833 5660 1 11 . 1 1 78 78 THR HA H 78 3.867 3.867 3.932 -0.065 18833 5661 1 11 . 1 1 78 78 THR C C 78 176.306 176.306 176.778 -0.472 18833 5662 1 11 . 1 1 78 78 THR CA C 78 67.197 67.197 66.534 0.662 18833 5663 1 11 . 1 1 78 78 THR CB C 78 68.145 68.145 68.551 -0.406 18833 5664 1 11 . 1 1 78 78 THR H H 78 8.259 8.259 7.898 0.361 18833 5665 1 11 . 1 1 79 79 LEU N N 79 119.714 119.714 122.348 -2.634 18833 5666 1 11 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.964 -0.128 18833 5667 1 11 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.889 0.061 18833 5668 1 11 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.350 0.278 18833 5669 1 11 . 1 1 79 79 LEU H H 79 7.748 7.748 7.529 0.219 18833 5670 1 11 . 1 1 80 80 ARG N N 80 119.613 119.613 117.139 2.474 18833 5671 1 11 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.965 0.150 18833 5672 1 11 . 1 1 80 80 ARG C C 80 177.905 177.905 177.691 0.214 18833 5673 1 11 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.150 -0.688 18833 5674 1 11 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.749 1.021 18833 5675 1 11 . 1 1 80 80 ARG H H 80 7.944 7.944 8.062 -0.118 18833 5676 1 11 . 1 1 81 81 ASN N N 81 119.257 119.257 116.330 2.927 18833 5677 1 11 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.901 0.060 18833 5678 1 11 . 1 1 81 81 ASN C C 81 175.030 175.030 175.325 -0.295 18833 5679 1 11 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.193 -0.387 18833 5680 1 11 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.702 -2.248 18833 5681 1 11 . 1 1 81 81 ASN H H 81 7.843 7.843 7.781 0.062 18833 5682 1 11 . 1 1 82 82 THR N N 82 109.817 109.817 114.692 -4.875 18833 5683 1 11 . 1 1 82 82 THR HA H 82 4.391 4.391 4.499 -0.108 18833 5684 1 11 . 1 1 82 82 THR C C 82 175.114 175.114 175.107 0.007 18833 5685 1 11 . 1 1 82 82 THR CA C 82 60.155 60.155 61.498 -1.343 18833 5686 1 11 . 1 1 82 82 THR CB C 82 72.327 72.327 69.951 2.376 18833 5687 1 11 . 1 1 82 82 THR H H 82 7.514 7.514 7.733 -0.219 18833 5688 1 11 . 1 1 83 83 GLY N N 83 109.536 109.536 107.101 2.435 18833 5689 1 11 . 1 1 83 83 GLY C C 83 173.492 173.492 175.223 -1.731 18833 5690 1 11 . 1 1 83 83 GLY CA C 83 44.126 44.126 45.202 -1.076 18833 5691 1 11 . 1 1 83 83 GLY H H 83 8.406 8.406 8.372 0.034 18833 5692 1 11 . 1 1 84 84 GLN N N 84 117.293 117.293 118.705 -1.412 18833 5693 1 11 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.254 -0.286 18833 5694 1 11 . 1 1 84 84 GLN C C 84 175.351 175.351 175.339 0.012 18833 5695 1 11 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.904 0.608 18833 5696 1 11 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.059 -0.036 18833 5697 1 11 . 1 1 84 84 GLN H H 84 8.218 8.218 8.436 -0.218 18833 5698 1 11 . 1 1 85 85 VAL N N 85 116.238 116.238 117.514 -1.276 18833 5699 1 11 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.606 0.086 18833 5700 1 11 . 1 1 85 85 VAL C C 85 175.864 175.864 175.484 0.380 18833 5701 1 11 . 1 1 85 85 VAL CA C 85 61.342 61.342 60.686 0.656 18833 5702 1 11 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.843 -0.469 18833 5703 1 11 . 1 1 85 85 VAL H H 85 7.715 7.715 7.555 0.160 18833 5704 1 11 . 1 1 86 86 VAL N N 86 128.273 128.273 126.340 1.933 18833 5705 1 11 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.307 0.217 18833 5706 1 11 . 1 1 86 86 VAL C C 86 173.320 173.320 174.554 -1.234 18833 5707 1 11 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.373 0.412 18833 5708 1 11 . 1 1 86 86 VAL CB C 86 35.105 35.105 34.682 0.423 18833 5709 1 11 . 1 1 86 86 VAL H H 86 9.034 9.034 8.871 0.163 18833 5710 1 11 . 1 1 87 87 HIS N N 87 126.224 126.224 126.314 -0.090 18833 5711 1 11 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.977 0.060 18833 5712 1 11 . 1 1 87 87 HIS C C 87 174.442 174.442 174.461 -0.019 18833 5713 1 11 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.544 0.214 18833 5714 1 11 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.786 1.715 18833 5715 1 11 . 1 1 87 87 HIS H H 87 8.761 8.761 8.759 0.002 18833 5716 1 11 . 1 1 88 88 LEU N N 88 126.604 126.604 125.704 0.900 18833 5717 1 11 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.766 0.203 18833 5718 1 11 . 1 1 88 88 LEU C C 88 173.306 173.306 174.571 -1.265 18833 5719 1 11 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.618 0.031 18833 5720 1 11 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.048 0.240 18833 5721 1 11 . 1 1 88 88 LEU H H 88 9.045 9.045 9.426 -0.381 18833 5722 1 11 . 1 1 89 89 LEU N N 89 124.501 124.501 124.819 -0.318 18833 5723 1 11 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.801 -0.080 18833 5724 1 11 . 1 1 89 89 LEU C C 89 175.180 175.180 174.386 0.794 18833 5725 1 11 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.386 0.352 18833 5726 1 11 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.421 0.945 18833 5727 1 11 . 1 1 89 89 LEU H H 89 7.977 7.977 8.492 -0.515 18833 5728 1 11 . 1 1 90 90 LEU N N 90 127.520 127.520 126.517 1.003 18833 5729 1 11 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.950 0.339 18833 5730 1 11 . 1 1 90 90 LEU C C 90 173.616 173.616 174.401 -0.785 18833 5731 1 11 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.576 0.579 18833 5732 1 11 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.402 -0.382 18833 5733 1 11 . 1 1 90 90 LEU H H 90 8.896 8.896 8.771 0.125 18833 5734 1 11 . 1 1 91 91 GLU N N 91 118.964 118.964 120.832 -1.868 18833 5735 1 11 . 1 1 91 91 GLU HA H 91 5.086 5.086 4.907 0.179 18833 5736 1 11 . 1 1 91 91 GLU C C 91 176.652 176.652 175.609 1.043 18833 5737 1 11 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.385 -0.567 18833 5738 1 11 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.107 0.799 18833 5739 1 11 . 1 1 91 91 GLU H H 91 8.825 8.825 9.043 -0.218 18833 5740 1 11 . 1 1 92 92 LYS N N 92 128.805 128.805 128.031 0.774 18833 5741 1 11 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.492 -0.123 18833 5742 1 11 . 1 1 92 92 LYS C C 92 178.011 178.011 177.002 1.009 18833 5743 1 11 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.032 -0.692 18833 5744 1 11 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.336 -1.267 18833 5745 1 11 . 1 1 92 92 LYS H H 92 9.333 9.333 8.934 0.399 18833 5746 1 11 . 1 1 93 93 GLY N N 93 117.774 117.774 111.194 6.580 18833 5747 1 11 . 1 1 93 93 GLY C C 93 173.157 173.157 173.384 -0.227 18833 5748 1 11 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.814 0.361 18833 5749 1 11 . 1 1 93 93 GLY H H 93 9.735 9.735 8.488 1.247 18833 5750 1 11 . 1 1 94 94 GLN N N 94 116.912 116.912 120.028 -3.116 18833 5751 1 11 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.618 -0.354 18833 5752 1 11 . 1 1 94 94 GLN C C 94 175.955 175.955 175.647 0.308 18833 5753 1 11 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.877 0.624 18833 5754 1 11 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.193 -0.475 18833 5755 1 11 . 1 1 94 94 GLN H H 94 8.243 8.243 8.624 -0.381 18833 5756 1 11 . 1 1 95 95 SER N N 95 118.157 118.157 116.597 1.560 18833 5757 1 11 . 1 1 95 95 SER HA H 95 4.662 4.662 4.848 -0.186 18833 5758 1 11 . 1 1 95 95 SER CA C 95 56.615 56.615 56.573 0.042 18833 5759 1 11 . 1 1 95 95 SER CB C 95 63.203 63.203 62.941 0.262 18833 5760 1 11 . 1 1 95 95 SER H H 95 8.396 8.396 8.328 0.068 18833 5761 1 11 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.575 -0.098 18833 5762 1 11 . 1 1 96 96 PRO C C 96 176.303 176.303 176.412 -0.109 18833 5763 1 11 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.884 0.630 18833 5764 1 11 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.130 -0.201 18833 5765 1 12 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.573 -0.101 18833 5766 1 12 . 1 1 2 2 PRO C C 2 175.867 175.867 176.090 -0.223 18833 5767 1 12 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.592 0.248 18833 5768 1 12 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.546 -0.233 18833 5769 1 12 . 1 1 3 3 LYS N N 3 124.698 124.698 120.903 3.795 18833 5770 1 12 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.489 0.118 18833 5771 1 12 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.380 -0.773 18833 5772 1 12 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.304 -0.717 18833 5773 1 12 . 1 1 3 3 LYS H H 3 8.933 8.933 8.341 0.592 18833 5774 1 12 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.262 -0.321 18833 5775 1 12 . 1 1 4 4 PRO C C 4 177.504 177.504 177.493 0.011 18833 5776 1 12 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.185 0.327 18833 5777 1 12 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.536 0.134 18833 5778 1 12 . 1 1 5 5 GLY N N 5 113.652 113.652 113.187 0.465 18833 5779 1 12 . 1 1 5 5 GLY C C 5 174.146 174.146 174.488 -0.342 18833 5780 1 12 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.825 0.247 18833 5781 1 12 . 1 1 5 5 GLY H H 5 9.014 9.014 7.749 1.265 18833 5782 1 12 . 1 1 6 6 ASP N N 6 121.766 121.766 122.600 -0.834 18833 5783 1 12 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.660 0.011 18833 5784 1 12 . 1 1 6 6 ASP C C 6 175.762 175.762 175.801 -0.039 18833 5785 1 12 . 1 1 6 6 ASP CA C 6 54.899 54.899 54.685 0.213 18833 5786 1 12 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.360 -0.954 18833 5787 1 12 . 1 1 6 6 ASP H H 6 8.489 8.489 7.943 0.546 18833 5788 1 12 . 1 1 7 7 ILE N N 7 121.794 121.794 124.949 -3.155 18833 5789 1 12 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.971 0.362 18833 5790 1 12 . 1 1 7 7 ILE C C 7 176.854 176.854 176.198 0.656 18833 5791 1 12 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.712 -1.080 18833 5792 1 12 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.009 -0.794 18833 5793 1 12 . 1 1 7 7 ILE H H 7 8.368 8.368 8.306 0.062 18833 5794 1 12 . 1 1 8 8 PHE N N 8 125.873 125.873 125.585 0.288 18833 5795 1 12 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.098 -0.034 18833 5796 1 12 . 1 1 8 8 PHE C C 8 171.167 171.167 173.619 -2.452 18833 5797 1 12 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.304 0.246 18833 5798 1 12 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.821 -0.488 18833 5799 1 12 . 1 1 8 8 PHE H H 8 9.498 9.498 9.142 0.356 18833 5800 1 12 . 1 1 9 9 GLU N N 9 119.065 119.065 122.392 -3.327 18833 5801 1 12 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.843 0.372 18833 5802 1 12 . 1 1 9 9 GLU C C 9 176.019 176.019 175.223 0.796 18833 5803 1 12 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.212 -1.223 18833 5804 1 12 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.446 1.965 18833 5805 1 12 . 1 1 9 9 GLU H H 9 8.502 8.502 8.596 -0.094 18833 5806 1 12 . 1 1 10 10 VAL N N 10 120.078 120.078 123.505 -3.427 18833 5807 1 12 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.334 -0.199 18833 5808 1 12 . 1 1 10 10 VAL C C 10 173.177 173.177 174.500 -1.323 18833 5809 1 12 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.871 0.242 18833 5810 1 12 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.050 1.731 18833 5811 1 12 . 1 1 10 10 VAL H H 10 8.581 8.581 8.770 -0.189 18833 5812 1 12 . 1 1 11 11 GLU N N 11 126.482 126.482 126.833 -0.351 18833 5813 1 12 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.105 -0.106 18833 5814 1 12 . 1 1 11 11 GLU C C 11 174.618 174.618 175.143 -0.525 18833 5815 1 12 . 1 1 11 11 GLU CA C 11 54.814 54.814 55.028 -0.214 18833 5816 1 12 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.783 0.225 18833 5817 1 12 . 1 1 11 11 GLU H H 11 7.810 7.810 8.557 -0.748 18833 5818 1 12 . 1 1 12 12 LEU N N 12 126.093 126.093 126.945 -0.852 18833 5819 1 12 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.626 0.028 18833 5820 1 12 . 1 1 12 12 LEU C C 12 174.013 174.013 174.683 -0.670 18833 5821 1 12 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.112 0.062 18833 5822 1 12 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.573 2.293 18833 5823 1 12 . 1 1 12 12 LEU H H 12 8.888 8.888 8.402 0.486 18833 5824 1 12 . 1 1 13 13 ALA N N 13 126.137 126.137 128.323 -2.186 18833 5825 1 12 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.971 0.130 18833 5826 1 12 . 1 1 13 13 ALA C C 13 177.290 177.290 177.133 0.157 18833 5827 1 12 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.768 -0.885 18833 5828 1 12 . 1 1 13 13 ALA CB C 13 19.409 19.409 21.120 -1.711 18833 5829 1 12 . 1 1 13 13 ALA H H 13 8.494 8.494 8.479 0.015 18833 5830 1 12 . 1 1 14 14 LYS N N 14 120.270 120.270 121.700 -1.430 18833 5831 1 12 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.595 -0.797 18833 5832 1 12 . 1 1 14 14 LYS C C 14 176.313 176.313 176.676 -0.363 18833 5833 1 12 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.780 2.018 18833 5834 1 12 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.477 2.436 18833 5835 1 12 . 1 1 14 14 LYS H H 14 8.486 8.486 8.348 0.138 18833 5836 1 12 . 1 1 15 15 ASN N N 15 117.746 117.746 117.819 -0.073 18833 5837 1 12 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.566 0.258 18833 5838 1 12 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.276 -2.497 18833 5839 1 12 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.683 1.439 18833 5840 1 12 . 1 1 15 15 ASN H H 15 8.139 8.139 8.053 0.086 18833 5841 1 12 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.448 -0.147 18833 5842 1 12 . 1 1 16 16 ASP C C 16 175.367 175.367 175.999 -0.632 18833 5843 1 12 . 1 1 16 16 ASP CA C 16 55.452 55.452 56.212 -0.760 18833 5844 1 12 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.413 -1.957 18833 5845 1 12 . 1 1 17 17 ASN N N 17 111.793 111.793 114.084 -2.291 18833 5846 1 12 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.821 -0.441 18833 5847 1 12 . 1 1 17 17 ASN C C 17 174.599 174.599 173.776 0.823 18833 5848 1 12 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.330 1.464 18833 5849 1 12 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.528 -1.812 18833 5850 1 12 . 1 1 17 17 ASN H H 17 8.698 8.698 8.129 0.569 18833 5851 1 12 . 1 1 18 18 SER N N 18 112.321 112.321 116.301 -3.980 18833 5852 1 12 . 1 1 18 18 SER HA H 18 4.827 4.827 4.349 0.478 18833 5853 1 12 . 1 1 18 18 SER CA C 18 56.795 56.795 59.053 -2.258 18833 5854 1 12 . 1 1 18 18 SER CB C 18 64.855 64.855 64.164 0.691 18833 5855 1 12 . 1 1 18 18 SER H H 18 7.989 7.989 8.457 -0.468 18833 5856 1 12 . 1 1 19 19 LEU N N 19 127.097 127.097 120.143 6.954 18833 5857 1 12 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.150 0.016 18833 5858 1 12 . 1 1 19 19 LEU C C 19 177.329 177.329 177.897 -0.568 18833 5859 1 12 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.842 -0.329 18833 5860 1 12 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.476 1.843 18833 5861 1 12 . 1 1 19 19 LEU H H 19 9.247 9.247 8.496 0.751 18833 5862 1 12 . 1 1 20 20 GLY N N 20 104.340 104.340 105.117 -0.777 18833 5863 1 12 . 1 1 20 20 GLY C C 20 175.984 175.984 173.697 2.287 18833 5864 1 12 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.606 1.192 18833 5865 1 12 . 1 1 20 20 GLY H H 20 8.664 8.664 8.425 0.239 18833 5866 1 12 . 1 1 21 21 ILE N N 21 115.279 115.279 118.031 -2.752 18833 5867 1 12 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.040 -0.044 18833 5868 1 12 . 1 1 21 21 ILE C C 21 175.972 175.972 175.463 0.509 18833 5869 1 12 . 1 1 21 21 ILE CA C 21 59.781 59.781 58.114 1.667 18833 5870 1 12 . 1 1 21 21 ILE CB C 21 42.622 42.622 40.305 2.317 18833 5871 1 12 . 1 1 21 21 ILE H H 21 7.614 7.614 7.769 -0.155 18833 5872 1 12 . 1 1 22 22 CYS N N 22 122.210 122.210 121.092 1.118 18833 5873 1 12 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.006 0.265 18833 5874 1 12 . 1 1 22 22 CYS C C 22 175.904 175.904 172.744 3.160 18833 5875 1 12 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.584 -5.639 18833 5876 1 12 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.695 4.497 18833 5877 1 12 . 1 1 22 22 CYS H H 22 8.506 8.506 8.446 0.060 18833 5878 1 12 . 1 1 23 23 VAL N N 23 117.739 117.739 117.559 0.180 18833 5879 1 12 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.382 0.085 18833 5880 1 12 . 1 1 23 23 VAL C C 23 173.821 173.821 173.695 0.126 18833 5881 1 12 . 1 1 23 23 VAL CA C 23 59.820 59.820 59.932 -0.112 18833 5882 1 12 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.656 0.099 18833 5883 1 12 . 1 1 23 23 VAL H H 23 9.203 9.203 8.434 0.769 18833 5884 1 12 . 1 1 24 24 THR N N 24 114.753 114.753 114.148 0.605 18833 5885 1 12 . 1 1 24 24 THR HA H 24 4.649 4.649 4.680 -0.031 18833 5886 1 12 . 1 1 24 24 THR C C 24 171.786 171.786 173.098 -1.312 18833 5887 1 12 . 1 1 24 24 THR CA C 24 59.529 59.529 59.744 -0.215 18833 5888 1 12 . 1 1 24 24 THR CB C 24 70.563 70.563 70.539 0.024 18833 5889 1 12 . 1 1 24 24 THR H H 24 9.237 9.237 8.674 0.563 18833 5890 1 12 . 1 1 25 25 GLY N N 25 111.927 111.927 110.254 1.673 18833 5891 1 12 . 1 1 25 25 GLY C C 25 174.099 174.099 172.887 1.212 18833 5892 1 12 . 1 1 25 25 GLY CA C 25 44.612 44.612 45.275 -0.663 18833 5893 1 12 . 1 1 25 25 GLY H H 25 8.291 8.291 8.537 -0.246 18833 5894 1 12 . 1 1 26 26 GLY N N 26 107.140 107.140 110.072 -2.932 18833 5895 1 12 . 1 1 26 26 GLY C C 26 176.180 176.180 174.731 1.449 18833 5896 1 12 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.839 -2.036 18833 5897 1 12 . 1 1 26 26 GLY H H 26 7.545 7.545 8.286 -0.741 18833 5898 1 12 . 1 1 27 27 VAL N N 27 116.837 116.837 119.079 -2.242 18833 5899 1 12 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.915 0.211 18833 5900 1 12 . 1 1 27 27 VAL C C 27 175.764 175.764 175.897 -0.133 18833 5901 1 12 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.834 0.961 18833 5902 1 12 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.326 1.657 18833 5903 1 12 . 1 1 27 27 VAL H H 27 8.091 8.091 8.126 -0.035 18833 5904 1 12 . 1 1 28 28 ASN N N 28 117.997 117.997 115.549 2.448 18833 5905 1 12 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.485 0.324 18833 5906 1 12 . 1 1 28 28 ASN C C 28 174.860 174.860 174.487 0.373 18833 5907 1 12 . 1 1 28 28 ASN CA C 28 53.455 53.455 54.007 -0.552 18833 5908 1 12 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.107 1.640 18833 5909 1 12 . 1 1 28 28 ASN H H 28 8.795 8.795 8.357 0.438 18833 5910 1 12 . 1 1 29 29 THR N N 29 111.381 111.381 113.919 -2.538 18833 5911 1 12 . 1 1 29 29 THR HA H 29 4.689 4.689 4.441 0.248 18833 5912 1 12 . 1 1 29 29 THR CA C 29 61.526 61.526 60.583 0.943 18833 5913 1 12 . 1 1 29 29 THR CB C 29 70.889 70.889 70.225 0.664 18833 5914 1 12 . 1 1 29 29 THR H H 29 7.858 7.858 8.120 -0.262 18833 5915 1 12 . 1 1 30 30 SER N N 30 114.070 114.070 115.919 -1.849 18833 5916 1 12 . 1 1 30 30 SER HA H 30 4.535 4.535 4.296 0.239 18833 5917 1 12 . 1 1 30 30 SER C C 30 174.879 174.879 174.380 0.499 18833 5918 1 12 . 1 1 30 30 SER CA C 30 58.380 58.380 59.985 -1.605 18833 5919 1 12 . 1 1 30 30 SER CB C 30 63.532 63.532 63.319 0.213 18833 5920 1 12 . 1 1 30 30 SER H H 30 8.433 8.433 8.650 -0.217 18833 5921 1 12 . 1 1 31 31 VAL N N 31 118.337 118.337 115.589 2.748 18833 5922 1 12 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.265 -0.174 18833 5923 1 12 . 1 1 31 31 VAL C C 31 176.528 176.528 176.728 -0.200 18833 5924 1 12 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.045 1.100 18833 5925 1 12 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.996 -0.496 18833 5926 1 12 . 1 1 31 31 VAL H H 31 7.588 7.588 7.405 0.183 18833 5927 1 12 . 1 1 32 32 ARG N N 32 124.670 124.670 126.840 -2.170 18833 5928 1 12 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.082 -0.071 18833 5929 1 12 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.336 -0.364 18833 5930 1 12 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.285 -0.710 18833 5931 1 12 . 1 1 32 32 ARG H H 32 8.511 8.511 8.743 -0.232 18833 5932 1 12 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.514 0.059 18833 5933 1 12 . 1 1 33 33 HIS C C 33 175.064 175.064 175.664 -0.600 18833 5934 1 12 . 1 1 33 33 HIS CA C 33 56.831 56.831 57.098 -0.267 18833 5935 1 12 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.663 -0.545 18833 5936 1 12 . 1 1 34 34 GLY N N 34 109.531 109.531 107.370 2.161 18833 5937 1 12 . 1 1 34 34 GLY C C 34 174.582 174.582 174.357 0.225 18833 5938 1 12 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.414 1.167 18833 5939 1 12 . 1 1 34 34 GLY H H 34 8.471 8.471 7.719 0.752 18833 5940 1 12 . 1 1 35 35 GLY N N 35 105.151 105.151 106.615 -1.464 18833 5941 1 12 . 1 1 35 35 GLY C C 35 170.505 170.505 173.937 -3.432 18833 5942 1 12 . 1 1 35 35 GLY CA C 35 44.577 44.577 44.036 0.541 18833 5943 1 12 . 1 1 35 35 GLY H H 35 7.833 7.833 7.837 -0.004 18833 5944 1 12 . 1 1 36 36 ILE N N 36 119.676 119.676 123.608 -3.932 18833 5945 1 12 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.715 -0.003 18833 5946 1 12 . 1 1 36 36 ILE C C 36 174.641 174.641 175.147 -0.506 18833 5947 1 12 . 1 1 36 36 ILE CA C 36 57.084 57.084 60.119 -3.035 18833 5948 1 12 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.327 -0.595 18833 5949 1 12 . 1 1 36 36 ILE H H 36 8.350 8.350 7.869 0.481 18833 5950 1 12 . 1 1 37 37 TYR N N 37 123.307 123.307 127.662 -4.355 18833 5951 1 12 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.879 0.428 18833 5952 1 12 . 1 1 37 37 TYR C C 37 176.165 176.165 176.141 0.024 18833 5953 1 12 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.109 -1.262 18833 5954 1 12 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.718 1.611 18833 5955 1 12 . 1 1 37 37 TYR H H 37 8.892 8.892 8.993 -0.101 18833 5956 1 12 . 1 1 38 38 VAL N N 38 120.580 120.580 121.481 -0.901 18833 5957 1 12 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.030 -0.294 18833 5958 1 12 . 1 1 38 38 VAL C C 38 175.983 175.983 176.166 -0.183 18833 5959 1 12 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.760 -0.090 18833 5960 1 12 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.549 -0.021 18833 5961 1 12 . 1 1 38 38 VAL H H 38 9.365 9.365 9.118 0.247 18833 5962 1 12 . 1 1 39 39 LYS N N 39 133.297 133.297 128.398 4.899 18833 5963 1 12 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.453 -0.068 18833 5964 1 12 . 1 1 39 39 LYS C C 39 174.520 174.520 175.151 -0.631 18833 5965 1 12 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.529 -0.020 18833 5966 1 12 . 1 1 39 39 LYS CB C 39 34.634 34.634 35.135 -0.501 18833 5967 1 12 . 1 1 39 39 LYS H H 39 9.560 9.560 8.790 0.770 18833 5968 1 12 . 1 1 40 40 ALA N N 40 118.155 118.155 119.730 -1.575 18833 5969 1 12 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.583 -0.078 18833 5970 1 12 . 1 1 40 40 ALA C C 40 174.639 174.639 174.880 -0.241 18833 5971 1 12 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.349 0.446 18833 5972 1 12 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.523 0.957 18833 5973 1 12 . 1 1 40 40 ALA H H 40 7.498 7.498 7.377 0.121 18833 5974 1 12 . 1 1 41 41 VAL N N 41 121.634 121.634 120.923 0.711 18833 5975 1 12 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.705 -0.296 18833 5976 1 12 . 1 1 41 41 VAL C C 41 175.829 175.829 175.463 0.366 18833 5977 1 12 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.130 1.174 18833 5978 1 12 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.017 -2.822 18833 5979 1 12 . 1 1 41 41 VAL H H 41 8.634 8.634 8.326 0.308 18833 5980 1 12 . 1 1 42 42 ILE N N 42 128.094 128.094 127.819 0.275 18833 5981 1 12 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.295 -0.149 18833 5982 1 12 . 1 1 42 42 ILE CA C 42 58.646 58.646 58.265 0.381 18833 5983 1 12 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.867 0.138 18833 5984 1 12 . 1 1 42 42 ILE H H 42 7.944 7.944 8.498 -0.554 18833 5985 1 12 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.610 -0.159 18833 5986 1 12 . 1 1 43 43 PRO C C 43 177.234 177.234 176.628 0.606 18833 5987 1 12 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.255 0.942 18833 5988 1 12 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.252 0.593 18833 5989 1 12 . 1 1 44 44 GLN N N 44 116.825 116.825 115.909 0.916 18833 5990 1 12 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.893 -0.044 18833 5991 1 12 . 1 1 44 44 GLN C C 44 175.752 175.752 175.279 0.473 18833 5992 1 12 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.793 1.339 18833 5993 1 12 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.177 0.297 18833 5994 1 12 . 1 1 44 44 GLN H H 44 9.345 9.345 9.457 -0.112 18833 5995 1 12 . 1 1 45 45 GLY N N 45 106.186 106.186 104.743 1.443 18833 5996 1 12 . 1 1 45 45 GLY C C 45 174.374 174.374 174.147 0.227 18833 5997 1 12 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.252 0.472 18833 5998 1 12 . 1 1 45 45 GLY H H 45 7.887 7.887 7.917 -0.030 18833 5999 1 12 . 1 1 46 46 ALA N N 46 120.843 120.843 122.717 -1.874 18833 6000 1 12 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.996 0.063 18833 6001 1 12 . 1 1 46 46 ALA C C 46 180.628 180.628 179.171 1.457 18833 6002 1 12 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.048 -0.013 18833 6003 1 12 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.755 -0.133 18833 6004 1 12 . 1 1 46 46 ALA H H 46 8.907 8.907 8.023 0.884 18833 6005 1 12 . 1 1 47 47 ALA N N 47 118.721 118.721 120.761 -2.040 18833 6006 1 12 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.921 0.150 18833 6007 1 12 . 1 1 47 47 ALA C C 47 180.589 180.589 179.246 1.343 18833 6008 1 12 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.384 -0.538 18833 6009 1 12 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.060 0.709 18833 6010 1 12 . 1 1 47 47 ALA H H 47 7.856 7.856 7.854 0.002 18833 6011 1 12 . 1 1 48 48 GLU N N 48 124.373 124.373 118.685 5.688 18833 6012 1 12 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.907 -0.098 18833 6013 1 12 . 1 1 48 48 GLU C C 48 178.120 178.120 179.083 -0.963 18833 6014 1 12 . 1 1 48 48 GLU CA C 48 59.857 59.857 59.003 0.854 18833 6015 1 12 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.475 0.144 18833 6016 1 12 . 1 1 48 48 GLU H H 48 9.195 9.195 8.288 0.907 18833 6017 1 12 . 1 1 49 49 SER N N 49 113.220 113.220 115.005 -1.785 18833 6018 1 12 . 1 1 49 49 SER HA H 49 4.099 4.099 4.187 -0.088 18833 6019 1 12 . 1 1 49 49 SER C C 49 175.707 175.707 176.455 -0.748 18833 6020 1 12 . 1 1 49 49 SER CA C 49 61.168 61.168 60.776 0.392 18833 6021 1 12 . 1 1 49 49 SER CB C 49 62.775 62.775 63.362 -0.587 18833 6022 1 12 . 1 1 49 49 SER H H 49 8.020 8.020 7.719 0.301 18833 6023 1 12 . 1 1 50 50 ASP N N 50 120.022 120.022 119.993 0.029 18833 6024 1 12 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.455 -0.075 18833 6025 1 12 . 1 1 50 50 ASP C C 50 177.650 177.650 177.622 0.028 18833 6026 1 12 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.608 1.589 18833 6027 1 12 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.538 2.697 18833 6028 1 12 . 1 1 50 50 ASP H H 50 7.579 7.579 8.039 -0.460 18833 6029 1 12 . 1 1 51 51 GLY N N 51 102.979 102.979 106.711 -3.732 18833 6030 1 12 . 1 1 51 51 GLY C C 51 175.026 175.026 175.246 -0.220 18833 6031 1 12 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.841 0.505 18833 6032 1 12 . 1 1 51 51 GLY H H 51 7.364 7.364 8.440 -1.076 18833 6033 1 12 . 1 1 52 52 ARG N N 52 117.501 117.501 118.975 -1.474 18833 6034 1 12 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.245 0.063 18833 6035 1 12 . 1 1 52 52 ARG C C 52 175.898 175.898 175.890 0.008 18833 6036 1 12 . 1 1 52 52 ARG CA C 52 57.904 57.904 58.000 -0.096 18833 6037 1 12 . 1 1 52 52 ARG CB C 52 32.999 32.999 31.039 1.960 18833 6038 1 12 . 1 1 52 52 ARG H H 52 7.958 7.958 7.781 0.177 18833 6039 1 12 . 1 1 53 53 ILE N N 53 120.028 120.028 117.636 2.392 18833 6040 1 12 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.191 0.041 18833 6041 1 12 . 1 1 53 53 ILE C C 53 173.773 173.773 174.698 -0.925 18833 6042 1 12 . 1 1 53 53 ILE CA C 53 61.429 61.429 61.165 0.264 18833 6043 1 12 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.789 0.910 18833 6044 1 12 . 1 1 53 53 ILE H H 53 8.223 8.223 7.577 0.646 18833 6045 1 12 . 1 1 54 54 HIS N N 54 123.681 123.681 123.596 0.085 18833 6046 1 12 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.978 -0.177 18833 6047 1 12 . 1 1 54 54 HIS C C 54 173.826 173.826 174.464 -0.638 18833 6048 1 12 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.721 0.164 18833 6049 1 12 . 1 1 54 54 HIS CB C 54 33.499 33.499 34.515 -1.016 18833 6050 1 12 . 1 1 54 54 HIS H H 54 9.073 9.073 9.459 -0.386 18833 6051 1 12 . 1 1 55 55 LYS N N 55 120.814 120.814 121.698 -0.884 18833 6052 1 12 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.076 -0.466 18833 6053 1 12 . 1 1 55 55 LYS C C 55 177.014 177.014 177.302 -0.288 18833 6054 1 12 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.284 1.149 18833 6055 1 12 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.717 0.643 18833 6056 1 12 . 1 1 55 55 LYS H H 55 8.715 8.715 8.745 -0.030 18833 6057 1 12 . 1 1 56 56 GLY N N 56 114.423 114.423 115.153 -0.730 18833 6058 1 12 . 1 1 56 56 GLY C C 56 174.469 174.469 174.478 -0.009 18833 6059 1 12 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.869 -0.031 18833 6060 1 12 . 1 1 56 56 GLY H H 56 9.128 9.128 8.630 0.498 18833 6061 1 12 . 1 1 57 57 ASP N N 57 121.735 121.735 122.962 -1.227 18833 6062 1 12 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.692 0.191 18833 6063 1 12 . 1 1 57 57 ASP C C 57 174.808 174.808 174.774 0.034 18833 6064 1 12 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.931 -0.104 18833 6065 1 12 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.673 -0.618 18833 6066 1 12 . 1 1 57 57 ASP H H 57 8.033 8.033 7.776 0.257 18833 6067 1 12 . 1 1 58 58 ARG N N 58 123.530 123.530 121.761 1.769 18833 6068 1 12 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.601 0.037 18833 6069 1 12 . 1 1 58 58 ARG C C 58 175.641 175.641 174.634 1.007 18833 6070 1 12 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.138 0.562 18833 6071 1 12 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.960 1.671 18833 6072 1 12 . 1 1 58 58 ARG H H 58 9.097 9.097 8.017 1.080 18833 6073 1 12 . 1 1 59 59 VAL N N 59 126.202 126.202 125.481 0.721 18833 6074 1 12 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.293 -0.388 18833 6075 1 12 . 1 1 59 59 VAL C C 59 174.515 174.515 175.358 -0.843 18833 6076 1 12 . 1 1 59 59 VAL CA C 59 62.152 62.152 62.276 -0.124 18833 6077 1 12 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.161 -1.087 18833 6078 1 12 . 1 1 59 59 VAL H H 59 8.898 8.898 8.836 0.062 18833 6079 1 12 . 1 1 60 60 LEU N N 60 127.209 127.209 122.297 4.912 18833 6080 1 12 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.869 -0.549 18833 6081 1 12 . 1 1 60 60 LEU C C 60 178.352 178.352 176.201 2.151 18833 6082 1 12 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.172 0.989 18833 6083 1 12 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.177 -0.552 18833 6084 1 12 . 1 1 60 60 LEU H H 60 9.193 9.193 8.633 0.560 18833 6085 1 12 . 1 1 61 61 ALA N N 61 118.965 118.965 119.630 -0.665 18833 6086 1 12 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.362 -0.423 18833 6087 1 12 . 1 1 61 61 ALA C C 61 175.332 175.332 175.404 -0.072 18833 6088 1 12 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.277 2.015 18833 6089 1 12 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.764 -0.678 18833 6090 1 12 . 1 1 61 61 ALA H H 61 7.759 7.759 7.415 0.344 18833 6091 1 12 . 1 1 62 62 VAL N N 62 119.695 119.695 119.062 0.633 18833 6092 1 12 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.666 -0.182 18833 6093 1 12 . 1 1 62 62 VAL C C 62 175.538 175.538 175.964 -0.426 18833 6094 1 12 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.428 -0.891 18833 6095 1 12 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.253 -0.292 18833 6096 1 12 . 1 1 62 62 VAL H H 62 8.218 8.218 8.205 0.013 18833 6097 1 12 . 1 1 63 63 ASN N N 63 128.940 128.940 128.082 0.858 18833 6098 1 12 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.423 0.148 18833 6099 1 12 . 1 1 63 63 ASN C C 63 175.155 175.155 175.546 -0.391 18833 6100 1 12 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.205 0.254 18833 6101 1 12 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.114 -1.196 18833 6102 1 12 . 1 1 63 63 ASN H H 63 10.387 10.387 9.533 0.854 18833 6103 1 12 . 1 1 64 64 GLY N N 64 103.432 103.432 102.437 0.995 18833 6104 1 12 . 1 1 64 64 GLY C C 64 173.902 173.902 173.903 -0.001 18833 6105 1 12 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.243 -0.046 18833 6106 1 12 . 1 1 64 64 GLY H H 64 9.094 9.094 8.690 0.404 18833 6107 1 12 . 1 1 65 65 VAL N N 65 123.418 123.418 121.504 1.914 18833 6108 1 12 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.214 -0.238 18833 6109 1 12 . 1 1 65 65 VAL C C 65 175.675 175.675 175.357 0.318 18833 6110 1 12 . 1 1 65 65 VAL CA C 65 62.062 62.062 60.901 1.161 18833 6111 1 12 . 1 1 65 65 VAL CB C 65 31.829 31.829 33.298 -1.469 18833 6112 1 12 . 1 1 65 65 VAL H H 65 7.948 7.948 7.600 0.348 18833 6113 1 12 . 1 1 66 66 SER N N 66 121.122 121.122 123.979 -2.857 18833 6114 1 12 . 1 1 66 66 SER HA H 66 4.365 4.365 4.488 -0.123 18833 6115 1 12 . 1 1 66 66 SER C C 66 176.402 176.402 174.809 1.593 18833 6116 1 12 . 1 1 66 66 SER CA C 66 58.310 58.310 58.956 -0.645 18833 6117 1 12 . 1 1 66 66 SER CB C 66 63.651 63.651 63.162 0.489 18833 6118 1 12 . 1 1 66 66 SER H H 66 8.671 8.671 8.783 -0.112 18833 6119 1 12 . 1 1 67 67 LEU N N 67 125.351 125.351 126.187 -0.836 18833 6120 1 12 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.312 0.128 18833 6121 1 12 . 1 1 67 67 LEU C C 67 176.359 176.359 177.539 -1.180 18833 6122 1 12 . 1 1 67 67 LEU CA C 67 53.867 53.867 56.416 -2.549 18833 6123 1 12 . 1 1 67 67 LEU CB C 67 40.981 40.981 42.418 -1.437 18833 6124 1 12 . 1 1 67 67 LEU H H 67 8.205 8.205 8.218 -0.013 18833 6125 1 12 . 1 1 68 68 GLU N N 68 123.211 123.211 118.530 4.681 18833 6126 1 12 . 1 1 68 68 GLU HA H 68 4.046 4.046 3.951 0.095 18833 6127 1 12 . 1 1 68 68 GLU C C 68 177.820 177.820 177.870 -0.050 18833 6128 1 12 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.961 0.575 18833 6129 1 12 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.545 -0.465 18833 6130 1 12 . 1 1 68 68 GLU H H 68 8.300 8.300 7.429 0.871 18833 6131 1 12 . 1 1 69 69 GLY N N 69 115.507 115.507 111.842 3.665 18833 6132 1 12 . 1 1 69 69 GLY C C 69 173.652 173.652 174.398 -0.746 18833 6133 1 12 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.111 0.236 18833 6134 1 12 . 1 1 69 69 GLY H H 69 8.945 8.945 9.041 -0.096 18833 6135 1 12 . 1 1 70 70 ALA N N 70 122.308 122.308 124.512 -2.204 18833 6136 1 12 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.458 0.032 18833 6137 1 12 . 1 1 70 70 ALA C C 70 179.583 179.583 176.372 3.211 18833 6138 1 12 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.912 0.572 18833 6139 1 12 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.565 0.023 18833 6140 1 12 . 1 1 70 70 ALA H H 70 7.882 7.882 7.677 0.205 18833 6141 1 12 . 1 1 71 71 THR N N 71 111.173 111.173 109.071 2.102 18833 6142 1 12 . 1 1 71 71 THR HA H 71 4.526 4.526 4.333 0.193 18833 6143 1 12 . 1 1 71 71 THR C C 71 174.660 174.660 175.686 -1.026 18833 6144 1 12 . 1 1 71 71 THR CA C 71 60.732 60.732 60.807 -0.075 18833 6145 1 12 . 1 1 71 71 THR CB C 71 71.196 71.196 70.549 0.647 18833 6146 1 12 . 1 1 71 71 THR H H 71 8.185 8.185 8.126 0.059 18833 6147 1 12 . 1 1 72 72 HIS N N 72 121.107 121.107 120.844 0.263 18833 6148 1 12 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.436 -0.435 18833 6149 1 12 . 1 1 72 72 HIS C C 72 176.702 176.702 177.059 -0.357 18833 6150 1 12 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.054 2.398 18833 6151 1 12 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.159 1.150 18833 6152 1 12 . 1 1 72 72 HIS H H 72 9.077 9.077 8.538 0.539 18833 6153 1 12 . 1 1 73 73 LYS N N 73 116.672 116.672 118.189 -1.517 18833 6154 1 12 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.959 -0.203 18833 6155 1 12 . 1 1 73 73 LYS C C 73 178.603 178.603 178.558 0.045 18833 6156 1 12 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.401 0.621 18833 6157 1 12 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.507 0.953 18833 6158 1 12 . 1 1 73 73 LYS H H 73 8.473 8.473 7.839 0.634 18833 6159 1 12 . 1 1 74 74 GLN N N 74 116.558 116.558 120.181 -3.623 18833 6160 1 12 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.078 -0.146 18833 6161 1 12 . 1 1 74 74 GLN C C 74 179.891 179.891 178.286 1.605 18833 6162 1 12 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.561 0.010 18833 6163 1 12 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.378 -0.053 18833 6164 1 12 . 1 1 74 74 GLN H H 74 7.568 7.568 7.457 0.111 18833 6165 1 12 . 1 1 75 75 ALA N N 75 123.337 123.337 121.282 2.055 18833 6166 1 12 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.047 -0.253 18833 6167 1 12 . 1 1 75 75 ALA C C 75 178.309 178.309 179.384 -1.075 18833 6168 1 12 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.274 0.394 18833 6169 1 12 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.280 1.088 18833 6170 1 12 . 1 1 75 75 ALA H H 75 8.320 8.320 7.940 0.380 18833 6171 1 12 . 1 1 76 76 VAL N N 76 118.172 118.172 118.739 -0.567 18833 6172 1 12 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.727 -0.540 18833 6173 1 12 . 1 1 76 76 VAL C C 76 179.705 179.705 177.471 2.234 18833 6174 1 12 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.231 0.921 18833 6175 1 12 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.704 -0.529 18833 6176 1 12 . 1 1 76 76 VAL H H 76 8.122 8.122 7.488 0.634 18833 6177 1 12 . 1 1 77 77 CYS N N 77 116.979 116.979 117.478 -0.499 18833 6178 1 12 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.090 0.111 18833 6179 1 12 . 1 1 77 77 CYS C C 77 177.004 177.004 177.123 -0.119 18833 6180 1 12 . 1 1 77 77 CYS CA C 77 61.892 61.892 62.434 -0.542 18833 6181 1 12 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.454 11.089 18833 6182 1 12 . 1 1 77 77 CYS H H 77 8.327 8.327 8.391 -0.064 18833 6183 1 12 . 1 1 78 78 THR N N 78 117.521 117.521 116.300 1.221 18833 6184 1 12 . 1 1 78 78 THR HA H 78 3.867 3.867 4.045 -0.178 18833 6185 1 12 . 1 1 78 78 THR C C 78 176.306 176.306 176.860 -0.554 18833 6186 1 12 . 1 1 78 78 THR CA C 78 67.197 67.197 65.928 1.269 18833 6187 1 12 . 1 1 78 78 THR CB C 78 68.145 68.145 68.686 -0.541 18833 6188 1 12 . 1 1 78 78 THR H H 78 8.259 8.259 7.733 0.526 18833 6189 1 12 . 1 1 79 79 LEU N N 79 119.714 119.714 122.793 -3.079 18833 6190 1 12 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.940 -0.104 18833 6191 1 12 . 1 1 79 79 LEU CA C 79 57.950 57.950 58.310 -0.360 18833 6192 1 12 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.248 0.380 18833 6193 1 12 . 1 1 79 79 LEU H H 79 7.748 7.748 7.495 0.253 18833 6194 1 12 . 1 1 80 80 ARG N N 80 119.613 119.613 114.764 4.849 18833 6195 1 12 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.044 0.071 18833 6196 1 12 . 1 1 80 80 ARG C C 80 177.905 177.905 177.339 0.566 18833 6197 1 12 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.479 -0.017 18833 6198 1 12 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.864 0.906 18833 6199 1 12 . 1 1 80 80 ARG H H 80 7.944 7.944 7.779 0.165 18833 6200 1 12 . 1 1 81 81 ASN N N 81 119.257 119.257 115.697 3.560 18833 6201 1 12 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.846 0.115 18833 6202 1 12 . 1 1 81 81 ASN C C 81 175.030 175.030 175.243 -0.213 18833 6203 1 12 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.169 -0.363 18833 6204 1 12 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.669 -2.215 18833 6205 1 12 . 1 1 81 81 ASN H H 81 7.843 7.843 7.902 -0.059 18833 6206 1 12 . 1 1 82 82 THR N N 82 109.817 109.817 113.793 -3.976 18833 6207 1 12 . 1 1 82 82 THR HA H 82 4.391 4.391 4.472 -0.081 18833 6208 1 12 . 1 1 82 82 THR C C 82 175.114 175.114 175.212 -0.098 18833 6209 1 12 . 1 1 82 82 THR CA C 82 60.155 60.155 61.691 -1.536 18833 6210 1 12 . 1 1 82 82 THR CB C 82 72.327 72.327 70.195 2.132 18833 6211 1 12 . 1 1 82 82 THR H H 82 7.514 7.514 7.639 -0.125 18833 6212 1 12 . 1 1 83 83 GLY N N 83 109.536 109.536 107.507 2.029 18833 6213 1 12 . 1 1 83 83 GLY C C 83 173.492 173.492 174.934 -1.442 18833 6214 1 12 . 1 1 83 83 GLY CA C 83 44.126 44.126 45.107 -0.981 18833 6215 1 12 . 1 1 83 83 GLY H H 83 8.406 8.406 8.270 0.136 18833 6216 1 12 . 1 1 84 84 GLN N N 84 117.293 117.293 119.052 -1.759 18833 6217 1 12 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.266 -0.298 18833 6218 1 12 . 1 1 84 84 GLN C C 84 175.351 175.351 175.388 -0.037 18833 6219 1 12 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.112 0.400 18833 6220 1 12 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.026 -0.003 18833 6221 1 12 . 1 1 84 84 GLN H H 84 8.218 8.218 8.541 -0.323 18833 6222 1 12 . 1 1 85 85 VAL N N 85 116.238 116.238 117.412 -1.174 18833 6223 1 12 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.588 0.104 18833 6224 1 12 . 1 1 85 85 VAL C C 85 175.864 175.864 175.726 0.138 18833 6225 1 12 . 1 1 85 85 VAL CA C 85 61.342 61.342 60.872 0.470 18833 6226 1 12 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.906 -0.532 18833 6227 1 12 . 1 1 85 85 VAL H H 85 7.715 7.715 7.637 0.078 18833 6228 1 12 . 1 1 86 86 VAL N N 86 128.273 128.273 125.599 2.674 18833 6229 1 12 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.408 0.116 18833 6230 1 12 . 1 1 86 86 VAL C C 86 173.320 173.320 174.492 -1.172 18833 6231 1 12 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.760 0.026 18833 6232 1 12 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.536 -0.431 18833 6233 1 12 . 1 1 86 86 VAL H H 86 9.034 9.034 8.674 0.360 18833 6234 1 12 . 1 1 87 87 HIS N N 87 126.224 126.224 125.829 0.395 18833 6235 1 12 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.682 0.355 18833 6236 1 12 . 1 1 87 87 HIS C C 87 174.442 174.442 174.172 0.270 18833 6237 1 12 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.499 0.259 18833 6238 1 12 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.847 1.654 18833 6239 1 12 . 1 1 87 87 HIS H H 87 8.761 8.761 8.767 -0.006 18833 6240 1 12 . 1 1 88 88 LEU N N 88 126.604 126.604 127.533 -0.929 18833 6241 1 12 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.802 0.167 18833 6242 1 12 . 1 1 88 88 LEU C C 88 173.306 173.306 174.606 -1.300 18833 6243 1 12 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.514 0.135 18833 6244 1 12 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.269 0.019 18833 6245 1 12 . 1 1 88 88 LEU H H 88 9.045 9.045 8.957 0.088 18833 6246 1 12 . 1 1 89 89 LEU N N 89 124.501 124.501 122.709 1.792 18833 6247 1 12 . 1 1 89 89 LEU HA H 89 4.721 4.721 5.010 -0.289 18833 6248 1 12 . 1 1 89 89 LEU C C 89 175.180 175.180 175.158 0.022 18833 6249 1 12 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.633 0.105 18833 6250 1 12 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.328 1.038 18833 6251 1 12 . 1 1 89 89 LEU H H 89 7.977 7.977 8.345 -0.368 18833 6252 1 12 . 1 1 90 90 LEU N N 90 127.520 127.520 123.296 4.224 18833 6253 1 12 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.929 0.360 18833 6254 1 12 . 1 1 90 90 LEU C C 90 173.616 173.616 174.599 -0.983 18833 6255 1 12 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.615 0.540 18833 6256 1 12 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.278 -0.258 18833 6257 1 12 . 1 1 90 90 LEU H H 90 8.896 8.896 8.877 0.019 18833 6258 1 12 . 1 1 91 91 GLU N N 91 118.964 118.964 120.752 -1.788 18833 6259 1 12 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.107 -0.021 18833 6260 1 12 . 1 1 91 91 GLU C C 91 176.652 176.652 175.808 0.844 18833 6261 1 12 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.328 -0.510 18833 6262 1 12 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.410 0.496 18833 6263 1 12 . 1 1 91 91 GLU H H 91 8.825 8.825 9.121 -0.296 18833 6264 1 12 . 1 1 92 92 LYS N N 92 128.805 128.805 125.565 3.240 18833 6265 1 12 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.438 -0.069 18833 6266 1 12 . 1 1 92 92 LYS C C 92 178.011 178.011 176.517 1.494 18833 6267 1 12 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.086 0.254 18833 6268 1 12 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.221 -1.152 18833 6269 1 12 . 1 1 92 92 LYS H H 92 9.333 9.333 9.010 0.323 18833 6270 1 12 . 1 1 93 93 GLY N N 93 117.774 117.774 109.173 8.601 18833 6271 1 12 . 1 1 93 93 GLY C C 93 173.157 173.157 172.904 0.253 18833 6272 1 12 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.802 0.373 18833 6273 1 12 . 1 1 93 93 GLY H H 93 9.735 9.735 8.666 1.069 18833 6274 1 12 . 1 1 94 94 GLN N N 94 116.912 116.912 118.376 -1.464 18833 6275 1 12 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.667 -0.403 18833 6276 1 12 . 1 1 94 94 GLN C C 94 175.955 175.955 175.845 0.110 18833 6277 1 12 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.800 0.701 18833 6278 1 12 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.664 0.054 18833 6279 1 12 . 1 1 94 94 GLN H H 94 8.243 8.243 7.882 0.361 18833 6280 1 12 . 1 1 95 95 SER N N 95 118.157 118.157 119.300 -1.143 18833 6281 1 12 . 1 1 95 95 SER HA H 95 4.662 4.662 4.502 0.160 18833 6282 1 12 . 1 1 95 95 SER CA C 95 56.615 56.615 57.485 -0.870 18833 6283 1 12 . 1 1 95 95 SER CB C 95 63.203 63.203 62.572 0.631 18833 6284 1 12 . 1 1 95 95 SER H H 95 8.396 8.396 8.554 -0.158 18833 6285 1 12 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.430 0.047 18833 6286 1 12 . 1 1 96 96 PRO C C 96 176.303 176.303 176.197 0.106 18833 6287 1 12 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.159 0.355 18833 6288 1 12 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.151 -0.222 18833 6289 1 13 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.461 0.011 18833 6290 1 13 . 1 1 2 2 PRO C C 2 175.867 175.867 176.076 -0.209 18833 6291 1 13 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.557 0.283 18833 6292 1 13 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.562 -0.249 18833 6293 1 13 . 1 1 3 3 LYS N N 3 124.698 124.698 123.099 1.599 18833 6294 1 13 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.515 0.092 18833 6295 1 13 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.161 -0.554 18833 6296 1 13 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.639 -1.052 18833 6297 1 13 . 1 1 3 3 LYS H H 3 8.933 8.933 8.357 0.576 18833 6298 1 13 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.209 -0.268 18833 6299 1 13 . 1 1 4 4 PRO C C 4 177.504 177.504 177.517 -0.013 18833 6300 1 13 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.741 0.771 18833 6301 1 13 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.609 0.061 18833 6302 1 13 . 1 1 5 5 GLY N N 5 113.652 113.652 111.530 2.122 18833 6303 1 13 . 1 1 5 5 GLY C C 5 174.146 174.146 173.717 0.429 18833 6304 1 13 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.992 0.080 18833 6305 1 13 . 1 1 5 5 GLY H H 5 9.014 9.014 8.242 0.772 18833 6306 1 13 . 1 1 6 6 ASP N N 6 121.766 121.766 120.399 1.367 18833 6307 1 13 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.824 -0.153 18833 6308 1 13 . 1 1 6 6 ASP C C 6 175.762 175.762 175.152 0.610 18833 6309 1 13 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.577 2.322 18833 6310 1 13 . 1 1 6 6 ASP CB C 6 41.406 41.406 43.085 -1.679 18833 6311 1 13 . 1 1 6 6 ASP H H 6 8.489 8.489 7.699 0.790 18833 6312 1 13 . 1 1 7 7 ILE N N 7 121.794 121.794 123.988 -2.194 18833 6313 1 13 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.579 0.754 18833 6314 1 13 . 1 1 7 7 ILE C C 7 176.854 176.854 175.996 0.858 18833 6315 1 13 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.769 -1.137 18833 6316 1 13 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.679 -0.464 18833 6317 1 13 . 1 1 7 7 ILE H H 7 8.368 8.368 8.526 -0.158 18833 6318 1 13 . 1 1 8 8 PHE N N 8 125.873 125.873 125.986 -0.113 18833 6319 1 13 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.108 -0.044 18833 6320 1 13 . 1 1 8 8 PHE C C 8 171.167 171.167 173.515 -2.348 18833 6321 1 13 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.168 0.382 18833 6322 1 13 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.842 -0.509 18833 6323 1 13 . 1 1 8 8 PHE H H 8 9.498 9.498 9.072 0.426 18833 6324 1 13 . 1 1 9 9 GLU N N 9 119.065 119.065 122.692 -3.627 18833 6325 1 13 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.494 0.721 18833 6326 1 13 . 1 1 9 9 GLU C C 9 176.019 176.019 175.826 0.193 18833 6327 1 13 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.274 -1.285 18833 6328 1 13 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.621 1.790 18833 6329 1 13 . 1 1 9 9 GLU H H 9 8.502 8.502 8.472 0.030 18833 6330 1 13 . 1 1 10 10 VAL N N 10 120.078 120.078 124.554 -4.476 18833 6331 1 13 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.389 -0.254 18833 6332 1 13 . 1 1 10 10 VAL C C 10 173.177 173.177 174.441 -1.264 18833 6333 1 13 . 1 1 10 10 VAL CA C 10 61.113 61.113 61.111 0.002 18833 6334 1 13 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.332 1.449 18833 6335 1 13 . 1 1 10 10 VAL H H 10 8.581 8.581 8.767 -0.186 18833 6336 1 13 . 1 1 11 11 GLU N N 11 126.482 126.482 126.378 0.104 18833 6337 1 13 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.106 -0.107 18833 6338 1 13 . 1 1 11 11 GLU C C 11 174.618 174.618 174.981 -0.363 18833 6339 1 13 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.394 0.420 18833 6340 1 13 . 1 1 11 11 GLU CB C 11 31.008 31.008 31.224 -0.216 18833 6341 1 13 . 1 1 11 11 GLU H H 11 7.810 7.810 8.554 -0.744 18833 6342 1 13 . 1 1 12 12 LEU N N 12 126.093 126.093 125.487 0.606 18833 6343 1 13 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.663 -0.009 18833 6344 1 13 . 1 1 12 12 LEU C C 12 174.013 174.013 174.829 -0.816 18833 6345 1 13 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.304 -0.130 18833 6346 1 13 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.025 1.841 18833 6347 1 13 . 1 1 12 12 LEU H H 12 8.888 8.888 8.725 0.163 18833 6348 1 13 . 1 1 13 13 ALA N N 13 126.137 126.137 128.438 -2.301 18833 6349 1 13 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.758 0.343 18833 6350 1 13 . 1 1 13 13 ALA C C 13 177.290 177.290 177.151 0.139 18833 6351 1 13 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.951 -1.068 18833 6352 1 13 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.606 -1.197 18833 6353 1 13 . 1 1 13 13 ALA H H 13 8.494 8.494 8.538 -0.044 18833 6354 1 13 . 1 1 14 14 LYS N N 14 120.270 120.270 123.415 -3.145 18833 6355 1 13 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.451 -0.653 18833 6356 1 13 . 1 1 14 14 LYS C C 14 176.313 176.313 177.030 -0.717 18833 6357 1 13 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.432 2.366 18833 6358 1 13 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.301 2.612 18833 6359 1 13 . 1 1 14 14 LYS H H 14 8.486 8.486 8.554 -0.068 18833 6360 1 13 . 1 1 15 15 ASN N N 15 117.746 117.746 117.612 0.134 18833 6361 1 13 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.446 0.378 18833 6362 1 13 . 1 1 15 15 ASN CA C 15 52.779 52.779 54.846 -2.067 18833 6363 1 13 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.677 1.445 18833 6364 1 13 . 1 1 15 15 ASN H H 15 8.139 8.139 8.141 -0.002 18833 6365 1 13 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.622 -0.321 18833 6366 1 13 . 1 1 16 16 ASP C C 16 175.367 175.367 175.499 -0.132 18833 6367 1 13 . 1 1 16 16 ASP CA C 16 55.452 55.452 53.649 1.803 18833 6368 1 13 . 1 1 16 16 ASP CB C 16 39.456 39.456 42.759 -3.303 18833 6369 1 13 . 1 1 17 17 ASN N N 17 111.793 111.793 121.018 -9.225 18833 6370 1 13 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.524 -0.144 18833 6371 1 13 . 1 1 17 17 ASN C C 17 174.599 174.599 175.873 -1.274 18833 6372 1 13 . 1 1 17 17 ASN CA C 17 53.793 53.793 54.533 -0.740 18833 6373 1 13 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.409 -0.693 18833 6374 1 13 . 1 1 17 17 ASN H H 17 8.698 8.698 8.565 0.133 18833 6375 1 13 . 1 1 18 18 SER N N 18 112.321 112.321 117.342 -5.021 18833 6376 1 13 . 1 1 18 18 SER HA H 18 4.827 4.827 4.429 0.398 18833 6377 1 13 . 1 1 18 18 SER CA C 18 56.795 56.795 58.646 -1.851 18833 6378 1 13 . 1 1 18 18 SER CB C 18 64.855 64.855 63.449 1.406 18833 6379 1 13 . 1 1 18 18 SER H H 18 7.989 7.989 7.965 0.024 18833 6380 1 13 . 1 1 19 19 LEU N N 19 127.097 127.097 126.193 0.904 18833 6381 1 13 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.209 -0.043 18833 6382 1 13 . 1 1 19 19 LEU C C 19 177.329 177.329 178.489 -1.160 18833 6383 1 13 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.416 0.097 18833 6384 1 13 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.080 1.239 18833 6385 1 13 . 1 1 19 19 LEU H H 19 9.247 9.247 8.581 0.666 18833 6386 1 13 . 1 1 20 20 GLY N N 20 104.340 104.340 106.441 -2.101 18833 6387 1 13 . 1 1 20 20 GLY C C 20 175.984 175.984 173.875 2.109 18833 6388 1 13 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.699 1.100 18833 6389 1 13 . 1 1 20 20 GLY H H 20 8.664 8.664 8.496 0.168 18833 6390 1 13 . 1 1 21 21 ILE N N 21 115.279 115.279 117.572 -2.293 18833 6391 1 13 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.121 -0.125 18833 6392 1 13 . 1 1 21 21 ILE C C 21 175.972 175.972 175.463 0.509 18833 6393 1 13 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.733 0.048 18833 6394 1 13 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.441 1.181 18833 6395 1 13 . 1 1 21 21 ILE H H 21 7.614 7.614 7.731 -0.117 18833 6396 1 13 . 1 1 22 22 CYS N N 22 122.210 122.210 120.241 1.969 18833 6397 1 13 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.898 0.373 18833 6398 1 13 . 1 1 22 22 CYS C C 22 175.904 175.904 172.872 3.032 18833 6399 1 13 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.387 -5.442 18833 6400 1 13 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.913 4.279 18833 6401 1 13 . 1 1 22 22 CYS H H 22 8.506 8.506 8.515 -0.009 18833 6402 1 13 . 1 1 23 23 VAL N N 23 117.739 117.739 115.549 2.190 18833 6403 1 13 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.355 0.112 18833 6404 1 13 . 1 1 23 23 VAL C C 23 173.821 173.821 174.091 -0.270 18833 6405 1 13 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.196 -0.376 18833 6406 1 13 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.612 0.143 18833 6407 1 13 . 1 1 23 23 VAL H H 23 9.203 9.203 8.425 0.778 18833 6408 1 13 . 1 1 24 24 THR N N 24 114.753 114.753 114.340 0.413 18833 6409 1 13 . 1 1 24 24 THR HA H 24 4.649 4.649 4.737 -0.088 18833 6410 1 13 . 1 1 24 24 THR C C 24 171.786 171.786 173.026 -1.240 18833 6411 1 13 . 1 1 24 24 THR CA C 24 59.529 59.529 59.321 0.208 18833 6412 1 13 . 1 1 24 24 THR CB C 24 70.563 70.563 70.241 0.322 18833 6413 1 13 . 1 1 24 24 THR H H 24 9.237 9.237 8.562 0.675 18833 6414 1 13 . 1 1 25 25 GLY N N 25 111.927 111.927 109.286 2.641 18833 6415 1 13 . 1 1 25 25 GLY C C 25 174.099 174.099 172.411 1.688 18833 6416 1 13 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.930 -0.318 18833 6417 1 13 . 1 1 25 25 GLY H H 25 8.291 8.291 8.560 -0.269 18833 6418 1 13 . 1 1 26 26 GLY N N 26 107.140 107.140 106.824 0.316 18833 6419 1 13 . 1 1 26 26 GLY C C 26 176.180 176.180 175.432 0.748 18833 6420 1 13 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.200 -1.397 18833 6421 1 13 . 1 1 26 26 GLY H H 26 7.545 7.545 8.077 -0.532 18833 6422 1 13 . 1 1 27 27 VAL N N 27 116.837 116.837 121.989 -5.152 18833 6423 1 13 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.966 0.160 18833 6424 1 13 . 1 1 27 27 VAL C C 27 175.764 175.764 175.812 -0.048 18833 6425 1 13 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.270 1.526 18833 6426 1 13 . 1 1 27 27 VAL CB C 27 31.983 31.983 31.038 0.945 18833 6427 1 13 . 1 1 27 27 VAL H H 27 8.091 8.091 8.373 -0.282 18833 6428 1 13 . 1 1 28 28 ASN N N 28 117.997 117.997 117.413 0.584 18833 6429 1 13 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.392 0.417 18833 6430 1 13 . 1 1 28 28 ASN C C 28 174.860 174.860 174.174 0.686 18833 6431 1 13 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.468 -0.013 18833 6432 1 13 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.073 0.674 18833 6433 1 13 . 1 1 28 28 ASN H H 28 8.795 8.795 8.128 0.667 18833 6434 1 13 . 1 1 29 29 THR N N 29 111.381 111.381 113.461 -2.080 18833 6435 1 13 . 1 1 29 29 THR HA H 29 4.689 4.689 4.550 0.139 18833 6436 1 13 . 1 1 29 29 THR CA C 29 61.526 61.526 60.258 1.268 18833 6437 1 13 . 1 1 29 29 THR CB C 29 70.889 70.889 70.046 0.843 18833 6438 1 13 . 1 1 29 29 THR H H 29 7.858 7.858 8.152 -0.294 18833 6439 1 13 . 1 1 30 30 SER N N 30 114.070 114.070 115.555 -1.485 18833 6440 1 13 . 1 1 30 30 SER HA H 30 4.535 4.535 4.189 0.346 18833 6441 1 13 . 1 1 30 30 SER C C 30 174.879 174.879 174.410 0.469 18833 6442 1 13 . 1 1 30 30 SER CA C 30 58.380 58.380 60.229 -1.849 18833 6443 1 13 . 1 1 30 30 SER CB C 30 63.532 63.532 63.202 0.330 18833 6444 1 13 . 1 1 30 30 SER H H 30 8.433 8.433 8.633 -0.200 18833 6445 1 13 . 1 1 31 31 VAL N N 31 118.337 118.337 115.600 2.737 18833 6446 1 13 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.148 -0.057 18833 6447 1 13 . 1 1 31 31 VAL C C 31 176.528 176.528 176.582 -0.054 18833 6448 1 13 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.347 0.798 18833 6449 1 13 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.602 -0.102 18833 6450 1 13 . 1 1 31 31 VAL H H 31 7.588 7.588 7.468 0.120 18833 6451 1 13 . 1 1 32 32 ARG N N 32 124.670 124.670 126.862 -2.192 18833 6452 1 13 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.047 -0.036 18833 6453 1 13 . 1 1 32 32 ARG CA C 32 57.972 57.972 59.050 -1.078 18833 6454 1 13 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.037 -0.462 18833 6455 1 13 . 1 1 32 32 ARG H H 32 8.511 8.511 8.642 -0.131 18833 6456 1 13 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.516 0.057 18833 6457 1 13 . 1 1 33 33 HIS C C 33 175.064 175.064 175.881 -0.817 18833 6458 1 13 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.476 0.355 18833 6459 1 13 . 1 1 33 33 HIS CB C 33 29.118 29.118 30.177 -1.059 18833 6460 1 13 . 1 1 34 34 GLY N N 34 109.531 109.531 107.839 1.692 18833 6461 1 13 . 1 1 34 34 GLY C C 34 174.582 174.582 174.819 -0.237 18833 6462 1 13 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.532 1.049 18833 6463 1 13 . 1 1 34 34 GLY H H 34 8.471 8.471 7.589 0.882 18833 6464 1 13 . 1 1 35 35 GLY N N 35 105.151 105.151 107.637 -2.486 18833 6465 1 13 . 1 1 35 35 GLY C C 35 170.505 170.505 174.230 -3.725 18833 6466 1 13 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.935 0.642 18833 6467 1 13 . 1 1 35 35 GLY H H 35 7.833 7.833 7.971 -0.138 18833 6468 1 13 . 1 1 36 36 ILE N N 36 119.676 119.676 123.243 -3.567 18833 6469 1 13 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.532 0.180 18833 6470 1 13 . 1 1 36 36 ILE C C 36 174.641 174.641 175.488 -0.847 18833 6471 1 13 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.705 -1.621 18833 6472 1 13 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.484 0.248 18833 6473 1 13 . 1 1 36 36 ILE H H 36 8.350 8.350 7.703 0.647 18833 6474 1 13 . 1 1 37 37 TYR N N 37 123.307 123.307 126.810 -3.503 18833 6475 1 13 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.679 0.628 18833 6476 1 13 . 1 1 37 37 TYR C C 37 176.165 176.165 176.223 -0.058 18833 6477 1 13 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.868 -2.021 18833 6478 1 13 . 1 1 37 37 TYR CB C 37 42.329 42.329 39.338 2.991 18833 6479 1 13 . 1 1 37 37 TYR H H 37 8.892 8.892 8.166 0.726 18833 6480 1 13 . 1 1 38 38 VAL N N 38 120.580 120.580 122.035 -1.455 18833 6481 1 13 . 1 1 38 38 VAL HA H 38 3.736 3.736 3.898 -0.162 18833 6482 1 13 . 1 1 38 38 VAL C C 38 175.983 175.983 176.115 -0.132 18833 6483 1 13 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.426 0.244 18833 6484 1 13 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.375 0.153 18833 6485 1 13 . 1 1 38 38 VAL H H 38 9.365 9.365 8.975 0.390 18833 6486 1 13 . 1 1 39 39 LYS N N 39 133.297 133.297 129.962 3.335 18833 6487 1 13 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.428 -0.043 18833 6488 1 13 . 1 1 39 39 LYS C C 39 174.520 174.520 175.604 -1.084 18833 6489 1 13 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.264 0.245 18833 6490 1 13 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.676 -0.042 18833 6491 1 13 . 1 1 39 39 LYS H H 39 9.560 9.560 8.945 0.615 18833 6492 1 13 . 1 1 40 40 ALA N N 40 118.155 118.155 120.952 -2.797 18833 6493 1 13 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.702 -0.197 18833 6494 1 13 . 1 1 40 40 ALA C C 40 174.639 174.639 174.996 -0.357 18833 6495 1 13 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.569 0.226 18833 6496 1 13 . 1 1 40 40 ALA CB C 40 22.480 22.480 22.200 0.280 18833 6497 1 13 . 1 1 40 40 ALA H H 40 7.498 7.498 7.562 -0.064 18833 6498 1 13 . 1 1 41 41 VAL N N 41 121.634 121.634 120.823 0.811 18833 6499 1 13 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.966 -0.557 18833 6500 1 13 . 1 1 41 41 VAL C C 41 175.829 175.829 175.216 0.613 18833 6501 1 13 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.095 1.209 18833 6502 1 13 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.562 -3.367 18833 6503 1 13 . 1 1 41 41 VAL H H 41 8.634 8.634 8.365 0.269 18833 6504 1 13 . 1 1 42 42 ILE N N 42 128.094 128.094 126.848 1.246 18833 6505 1 13 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.448 -0.302 18833 6506 1 13 . 1 1 42 42 ILE CA C 42 58.646 58.646 57.836 0.810 18833 6507 1 13 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.806 0.199 18833 6508 1 13 . 1 1 42 42 ILE H H 42 7.944 7.944 8.846 -0.902 18833 6509 1 13 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.357 0.094 18833 6510 1 13 . 1 1 43 43 PRO C C 43 177.234 177.234 176.880 0.354 18833 6511 1 13 . 1 1 43 43 PRO CA C 43 64.197 64.197 64.036 0.161 18833 6512 1 13 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.347 0.498 18833 6513 1 13 . 1 1 44 44 GLN N N 44 116.825 116.825 116.264 0.561 18833 6514 1 13 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.931 -0.082 18833 6515 1 13 . 1 1 44 44 GLN C C 44 175.752 175.752 175.568 0.184 18833 6516 1 13 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.497 1.635 18833 6517 1 13 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.584 -0.109 18833 6518 1 13 . 1 1 44 44 GLN H H 44 9.345 9.345 8.459 0.886 18833 6519 1 13 . 1 1 45 45 GLY N N 45 106.186 106.186 105.347 0.839 18833 6520 1 13 . 1 1 45 45 GLY C C 45 174.374 174.374 174.072 0.302 18833 6521 1 13 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.461 0.264 18833 6522 1 13 . 1 1 45 45 GLY H H 45 7.887 7.887 8.084 -0.197 18833 6523 1 13 . 1 1 46 46 ALA N N 46 120.843 120.843 123.638 -2.795 18833 6524 1 13 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.984 0.075 18833 6525 1 13 . 1 1 46 46 ALA C C 46 180.628 180.628 179.187 1.441 18833 6526 1 13 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.132 -0.097 18833 6527 1 13 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.762 -0.140 18833 6528 1 13 . 1 1 46 46 ALA H H 46 8.907 8.907 8.155 0.752 18833 6529 1 13 . 1 1 47 47 ALA N N 47 118.721 118.721 120.730 -2.009 18833 6530 1 13 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.923 0.148 18833 6531 1 13 . 1 1 47 47 ALA C C 47 180.589 180.589 179.210 1.379 18833 6532 1 13 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.327 -0.481 18833 6533 1 13 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.077 0.692 18833 6534 1 13 . 1 1 47 47 ALA H H 47 7.856 7.856 7.896 -0.040 18833 6535 1 13 . 1 1 48 48 GLU N N 48 124.373 124.373 119.199 5.174 18833 6536 1 13 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.978 -0.169 18833 6537 1 13 . 1 1 48 48 GLU C C 48 178.120 178.120 179.052 -0.932 18833 6538 1 13 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.500 1.357 18833 6539 1 13 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.287 0.332 18833 6540 1 13 . 1 1 48 48 GLU H H 48 9.195 9.195 8.050 1.145 18833 6541 1 13 . 1 1 49 49 SER N N 49 113.220 113.220 114.716 -1.496 18833 6542 1 13 . 1 1 49 49 SER HA H 49 4.099 4.099 4.223 -0.124 18833 6543 1 13 . 1 1 49 49 SER C C 49 175.707 175.707 176.143 -0.436 18833 6544 1 13 . 1 1 49 49 SER CA C 49 61.168 61.168 60.696 0.472 18833 6545 1 13 . 1 1 49 49 SER CB C 49 62.775 62.775 63.360 -0.585 18833 6546 1 13 . 1 1 49 49 SER H H 49 8.020 8.020 8.129 -0.109 18833 6547 1 13 . 1 1 50 50 ASP N N 50 120.022 120.022 120.011 0.011 18833 6548 1 13 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.503 -0.123 18833 6549 1 13 . 1 1 50 50 ASP C C 50 177.650 177.650 177.369 0.281 18833 6550 1 13 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.726 1.471 18833 6551 1 13 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.521 2.714 18833 6552 1 13 . 1 1 50 50 ASP H H 50 7.579 7.579 8.121 -0.542 18833 6553 1 13 . 1 1 51 51 GLY N N 51 102.979 102.979 107.189 -4.210 18833 6554 1 13 . 1 1 51 51 GLY C C 51 175.026 175.026 175.467 -0.441 18833 6555 1 13 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.531 0.815 18833 6556 1 13 . 1 1 51 51 GLY H H 51 7.364 7.364 8.396 -1.032 18833 6557 1 13 . 1 1 52 52 ARG N N 52 117.501 117.501 120.403 -2.902 18833 6558 1 13 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.222 0.086 18833 6559 1 13 . 1 1 52 52 ARG C C 52 175.898 175.898 176.074 -0.176 18833 6560 1 13 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.819 0.085 18833 6561 1 13 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.864 2.135 18833 6562 1 13 . 1 1 52 52 ARG H H 52 7.958 7.958 7.785 0.173 18833 6563 1 13 . 1 1 53 53 ILE N N 53 120.028 120.028 117.494 2.534 18833 6564 1 13 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.172 0.060 18833 6565 1 13 . 1 1 53 53 ILE C C 53 173.773 173.773 174.329 -0.556 18833 6566 1 13 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.930 0.499 18833 6567 1 13 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.698 1.001 18833 6568 1 13 . 1 1 53 53 ILE H H 53 8.223 8.223 7.424 0.799 18833 6569 1 13 . 1 1 54 54 HIS N N 54 123.681 123.681 123.043 0.638 18833 6570 1 13 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.976 -0.175 18833 6571 1 13 . 1 1 54 54 HIS C C 54 173.826 173.826 174.231 -0.405 18833 6572 1 13 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.900 -0.015 18833 6573 1 13 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.986 -0.487 18833 6574 1 13 . 1 1 54 54 HIS H H 54 9.073 9.073 9.246 -0.173 18833 6575 1 13 . 1 1 55 55 LYS N N 55 120.814 120.814 121.689 -0.875 18833 6576 1 13 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.895 -0.285 18833 6577 1 13 . 1 1 55 55 LYS C C 55 177.014 177.014 177.289 -0.275 18833 6578 1 13 . 1 1 55 55 LYS CA C 55 58.433 58.433 58.171 0.262 18833 6579 1 13 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.645 -0.285 18833 6580 1 13 . 1 1 55 55 LYS H H 55 8.715 8.715 8.878 -0.163 18833 6581 1 13 . 1 1 56 56 GLY N N 56 114.423 114.423 114.469 -0.046 18833 6582 1 13 . 1 1 56 56 GLY C C 56 174.469 174.469 173.887 0.582 18833 6583 1 13 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.958 -0.120 18833 6584 1 13 . 1 1 56 56 GLY H H 56 9.128 9.128 8.740 0.388 18833 6585 1 13 . 1 1 57 57 ASP N N 57 121.735 121.735 122.862 -1.127 18833 6586 1 13 . 1 1 57 57 ASP HA H 57 4.883 4.883 5.120 -0.237 18833 6587 1 13 . 1 1 57 57 ASP C C 57 174.808 174.808 174.957 -0.149 18833 6588 1 13 . 1 1 57 57 ASP CA C 57 55.827 55.827 54.925 0.902 18833 6589 1 13 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.955 -1.900 18833 6590 1 13 . 1 1 57 57 ASP H H 57 8.033 8.033 7.663 0.370 18833 6591 1 13 . 1 1 58 58 ARG N N 58 123.530 123.530 116.926 6.604 18833 6592 1 13 . 1 1 58 58 ARG HA H 58 4.638 4.638 5.031 -0.393 18833 6593 1 13 . 1 1 58 58 ARG C C 58 175.641 175.641 174.787 0.854 18833 6594 1 13 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.373 0.327 18833 6595 1 13 . 1 1 58 58 ARG CB C 58 33.631 33.631 33.372 0.259 18833 6596 1 13 . 1 1 58 58 ARG H H 58 9.097 9.097 8.408 0.689 18833 6597 1 13 . 1 1 59 59 VAL N N 59 126.202 126.202 120.330 5.872 18833 6598 1 13 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.476 -0.571 18833 6599 1 13 . 1 1 59 59 VAL C C 59 174.515 174.515 175.458 -0.943 18833 6600 1 13 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.806 0.346 18833 6601 1 13 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.103 -2.029 18833 6602 1 13 . 1 1 59 59 VAL H H 59 8.898 8.898 8.886 0.012 18833 6603 1 13 . 1 1 60 60 LEU N N 60 127.209 127.209 121.280 5.929 18833 6604 1 13 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.927 -0.607 18833 6605 1 13 . 1 1 60 60 LEU C C 60 178.352 178.352 176.170 2.182 18833 6606 1 13 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.991 1.170 18833 6607 1 13 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.438 -0.813 18833 6608 1 13 . 1 1 60 60 LEU H H 60 9.193 9.193 8.916 0.277 18833 6609 1 13 . 1 1 61 61 ALA N N 61 118.965 118.965 120.068 -1.103 18833 6610 1 13 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.384 -0.445 18833 6611 1 13 . 1 1 61 61 ALA C C 61 175.332 175.332 175.307 0.025 18833 6612 1 13 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.208 2.084 18833 6613 1 13 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.837 -0.751 18833 6614 1 13 . 1 1 61 61 ALA H H 61 7.759 7.759 7.536 0.223 18833 6615 1 13 . 1 1 62 62 VAL N N 62 119.695 119.695 118.961 0.734 18833 6616 1 13 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.660 -0.176 18833 6617 1 13 . 1 1 62 62 VAL C C 62 175.538 175.538 175.971 -0.433 18833 6618 1 13 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.266 -0.729 18833 6619 1 13 . 1 1 62 62 VAL CB C 62 33.961 33.961 33.675 0.286 18833 6620 1 13 . 1 1 62 62 VAL H H 62 8.218 8.218 8.282 -0.064 18833 6621 1 13 . 1 1 63 63 ASN N N 63 128.940 128.940 127.853 1.087 18833 6622 1 13 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.421 0.150 18833 6623 1 13 . 1 1 63 63 ASN C C 63 175.155 175.155 175.526 -0.371 18833 6624 1 13 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.262 0.197 18833 6625 1 13 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.190 -1.270 18833 6626 1 13 . 1 1 63 63 ASN H H 63 10.387 10.387 9.285 1.102 18833 6627 1 13 . 1 1 64 64 GLY N N 64 103.432 103.432 101.945 1.487 18833 6628 1 13 . 1 1 64 64 GLY C C 64 173.902 173.902 174.150 -0.248 18833 6629 1 13 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.110 0.087 18833 6630 1 13 . 1 1 64 64 GLY H H 64 9.094 9.094 8.501 0.593 18833 6631 1 13 . 1 1 65 65 VAL N N 65 123.418 123.418 122.072 1.346 18833 6632 1 13 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.150 -0.174 18833 6633 1 13 . 1 1 65 65 VAL C C 65 175.675 175.675 175.528 0.147 18833 6634 1 13 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.270 0.792 18833 6635 1 13 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.725 -0.896 18833 6636 1 13 . 1 1 65 65 VAL H H 65 7.948 7.948 7.746 0.202 18833 6637 1 13 . 1 1 66 66 SER N N 66 121.122 121.122 124.090 -2.968 18833 6638 1 13 . 1 1 66 66 SER HA H 66 4.365 4.365 4.417 -0.052 18833 6639 1 13 . 1 1 66 66 SER C C 66 176.402 176.402 174.117 2.285 18833 6640 1 13 . 1 1 66 66 SER CA C 66 58.310 58.310 58.952 -0.642 18833 6641 1 13 . 1 1 66 66 SER CB C 66 63.651 63.651 63.004 0.647 18833 6642 1 13 . 1 1 66 66 SER H H 66 8.671 8.671 8.753 -0.082 18833 6643 1 13 . 1 1 67 67 LEU N N 67 125.351 125.351 125.654 -0.303 18833 6644 1 13 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.412 0.028 18833 6645 1 13 . 1 1 67 67 LEU C C 67 176.359 176.359 176.951 -0.592 18833 6646 1 13 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.730 -0.862 18833 6647 1 13 . 1 1 67 67 LEU CB C 67 40.981 40.981 42.439 -1.458 18833 6648 1 13 . 1 1 67 67 LEU H H 67 8.205 8.205 8.299 -0.094 18833 6649 1 13 . 1 1 68 68 GLU N N 68 123.211 123.211 118.838 4.373 18833 6650 1 13 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.089 -0.043 18833 6651 1 13 . 1 1 68 68 GLU C C 68 177.820 177.820 177.424 0.396 18833 6652 1 13 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.372 1.163 18833 6653 1 13 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.564 -0.484 18833 6654 1 13 . 1 1 68 68 GLU H H 68 8.300 8.300 7.464 0.836 18833 6655 1 13 . 1 1 69 69 GLY N N 69 115.507 115.507 111.724 3.783 18833 6656 1 13 . 1 1 69 69 GLY C C 69 173.652 173.652 174.319 -0.667 18833 6657 1 13 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.894 0.453 18833 6658 1 13 . 1 1 69 69 GLY H H 69 8.945 8.945 9.104 -0.159 18833 6659 1 13 . 1 1 70 70 ALA N N 70 122.308 122.308 125.100 -2.792 18833 6660 1 13 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.471 0.019 18833 6661 1 13 . 1 1 70 70 ALA C C 70 179.583 179.583 176.538 3.045 18833 6662 1 13 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.073 0.411 18833 6663 1 13 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.767 -0.179 18833 6664 1 13 . 1 1 70 70 ALA H H 70 7.882 7.882 7.655 0.227 18833 6665 1 13 . 1 1 71 71 THR N N 71 111.173 111.173 112.193 -1.020 18833 6666 1 13 . 1 1 71 71 THR HA H 71 4.526 4.526 4.344 0.182 18833 6667 1 13 . 1 1 71 71 THR C C 71 174.660 174.660 176.134 -1.474 18833 6668 1 13 . 1 1 71 71 THR CA C 71 60.732 60.732 61.284 -0.552 18833 6669 1 13 . 1 1 71 71 THR CB C 71 71.196 71.196 70.246 0.950 18833 6670 1 13 . 1 1 71 71 THR H H 71 8.185 8.185 8.037 0.148 18833 6671 1 13 . 1 1 72 72 HIS N N 72 121.107 121.107 119.343 1.764 18833 6672 1 13 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.240 -0.239 18833 6673 1 13 . 1 1 72 72 HIS C C 72 176.702 176.702 177.467 -0.765 18833 6674 1 13 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.699 1.754 18833 6675 1 13 . 1 1 72 72 HIS CB C 72 30.309 30.309 28.923 1.386 18833 6676 1 13 . 1 1 72 72 HIS H H 72 9.077 9.077 8.919 0.158 18833 6677 1 13 . 1 1 73 73 LYS N N 73 116.672 116.672 118.607 -1.935 18833 6678 1 13 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.818 -0.062 18833 6679 1 13 . 1 1 73 73 LYS C C 73 178.603 178.603 178.918 -0.315 18833 6680 1 13 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.552 0.470 18833 6681 1 13 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.248 1.212 18833 6682 1 13 . 1 1 73 73 LYS H H 73 8.473 8.473 7.852 0.621 18833 6683 1 13 . 1 1 74 74 GLN N N 74 116.558 116.558 118.490 -1.932 18833 6684 1 13 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.035 -0.103 18833 6685 1 13 . 1 1 74 74 GLN C C 74 179.891 179.891 178.490 1.401 18833 6686 1 13 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.655 -0.084 18833 6687 1 13 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.338 -0.013 18833 6688 1 13 . 1 1 74 74 GLN H H 74 7.568 7.568 7.510 0.058 18833 6689 1 13 . 1 1 75 75 ALA N N 75 123.337 123.337 122.736 0.601 18833 6690 1 13 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.054 -0.260 18833 6691 1 13 . 1 1 75 75 ALA C C 75 178.309 178.309 179.543 -1.234 18833 6692 1 13 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.229 0.439 18833 6693 1 13 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.298 1.070 18833 6694 1 13 . 1 1 75 75 ALA H H 75 8.320 8.320 8.094 0.226 18833 6695 1 13 . 1 1 76 76 VAL N N 76 118.172 118.172 118.777 -0.605 18833 6696 1 13 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.703 -0.516 18833 6697 1 13 . 1 1 76 76 VAL C C 76 179.705 179.705 177.548 2.157 18833 6698 1 13 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.795 0.357 18833 6699 1 13 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.563 -0.388 18833 6700 1 13 . 1 1 76 76 VAL H H 76 8.122 8.122 7.645 0.477 18833 6701 1 13 . 1 1 77 77 CYS N N 77 116.979 116.979 118.235 -1.256 18833 6702 1 13 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.063 0.138 18833 6703 1 13 . 1 1 77 77 CYS C C 77 177.004 177.004 177.520 -0.516 18833 6704 1 13 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.600 -1.708 18833 6705 1 13 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.353 11.190 18833 6706 1 13 . 1 1 77 77 CYS H H 77 8.327 8.327 8.356 -0.029 18833 6707 1 13 . 1 1 78 78 THR N N 78 117.521 117.521 117.101 0.420 18833 6708 1 13 . 1 1 78 78 THR HA H 78 3.867 3.867 3.968 -0.101 18833 6709 1 13 . 1 1 78 78 THR C C 78 176.306 176.306 176.573 -0.267 18833 6710 1 13 . 1 1 78 78 THR CA C 78 67.197 67.197 67.092 0.105 18833 6711 1 13 . 1 1 78 78 THR CB C 78 68.145 68.145 68.514 -0.369 18833 6712 1 13 . 1 1 78 78 THR H H 78 8.259 8.259 7.965 0.294 18833 6713 1 13 . 1 1 79 79 LEU N N 79 119.714 119.714 121.605 -1.891 18833 6714 1 13 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.951 -0.115 18833 6715 1 13 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.824 0.126 18833 6716 1 13 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.441 0.187 18833 6717 1 13 . 1 1 79 79 LEU H H 79 7.748 7.748 7.461 0.287 18833 6718 1 13 . 1 1 80 80 ARG N N 80 119.613 119.613 117.504 2.109 18833 6719 1 13 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.944 0.171 18833 6720 1 13 . 1 1 80 80 ARG C C 80 177.905 177.905 178.254 -0.349 18833 6721 1 13 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.316 -0.854 18833 6722 1 13 . 1 1 80 80 ARG CB C 80 30.770 30.770 30.098 0.672 18833 6723 1 13 . 1 1 80 80 ARG H H 80 7.944 7.944 7.927 0.017 18833 6724 1 13 . 1 1 81 81 ASN N N 81 119.257 119.257 114.142 5.115 18833 6725 1 13 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.787 0.174 18833 6726 1 13 . 1 1 81 81 ASN C C 81 175.030 175.030 175.354 -0.324 18833 6727 1 13 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.296 -0.490 18833 6728 1 13 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.328 -1.874 18833 6729 1 13 . 1 1 81 81 ASN H H 81 7.843 7.843 7.950 -0.107 18833 6730 1 13 . 1 1 82 82 THR N N 82 109.817 109.817 113.089 -3.272 18833 6731 1 13 . 1 1 82 82 THR HA H 82 4.391 4.391 4.473 -0.082 18833 6732 1 13 . 1 1 82 82 THR C C 82 175.114 175.114 174.934 0.180 18833 6733 1 13 . 1 1 82 82 THR CA C 82 60.155 60.155 61.318 -1.163 18833 6734 1 13 . 1 1 82 82 THR CB C 82 72.327 72.327 70.592 1.735 18833 6735 1 13 . 1 1 82 82 THR H H 82 7.514 7.514 7.451 0.063 18833 6736 1 13 . 1 1 83 83 GLY N N 83 109.536 109.536 106.590 2.946 18833 6737 1 13 . 1 1 83 83 GLY C C 83 173.492 173.492 174.584 -1.092 18833 6738 1 13 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.242 -0.116 18833 6739 1 13 . 1 1 83 83 GLY H H 83 8.406 8.406 8.406 -0.000 18833 6740 1 13 . 1 1 84 84 GLN N N 84 117.293 117.293 118.549 -1.256 18833 6741 1 13 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.171 -0.203 18833 6742 1 13 . 1 1 84 84 GLN C C 84 175.351 175.351 175.217 0.134 18833 6743 1 13 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.291 0.221 18833 6744 1 13 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.106 -0.083 18833 6745 1 13 . 1 1 84 84 GLN H H 84 8.218 8.218 8.560 -0.342 18833 6746 1 13 . 1 1 85 85 VAL N N 85 116.238 116.238 117.743 -1.505 18833 6747 1 13 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.534 0.158 18833 6748 1 13 . 1 1 85 85 VAL C C 85 175.864 175.864 175.442 0.422 18833 6749 1 13 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.071 0.271 18833 6750 1 13 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.099 0.275 18833 6751 1 13 . 1 1 85 85 VAL H H 85 7.715 7.715 7.651 0.064 18833 6752 1 13 . 1 1 86 86 VAL N N 86 128.273 128.273 126.689 1.584 18833 6753 1 13 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.343 0.181 18833 6754 1 13 . 1 1 86 86 VAL C C 86 173.320 173.320 174.433 -1.113 18833 6755 1 13 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.209 0.577 18833 6756 1 13 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.769 -0.664 18833 6757 1 13 . 1 1 86 86 VAL H H 86 9.034 9.034 8.505 0.529 18833 6758 1 13 . 1 1 87 87 HIS N N 87 126.224 126.224 125.197 1.027 18833 6759 1 13 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.766 0.271 18833 6760 1 13 . 1 1 87 87 HIS C C 87 174.442 174.442 174.390 0.052 18833 6761 1 13 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.788 -0.030 18833 6762 1 13 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.797 1.704 18833 6763 1 13 . 1 1 87 87 HIS H H 87 8.761 8.761 8.681 0.080 18833 6764 1 13 . 1 1 88 88 LEU N N 88 126.604 126.604 125.651 0.953 18833 6765 1 13 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.710 0.259 18833 6766 1 13 . 1 1 88 88 LEU C C 88 173.306 173.306 174.548 -1.242 18833 6767 1 13 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.630 0.019 18833 6768 1 13 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.930 0.358 18833 6769 1 13 . 1 1 88 88 LEU H H 88 9.045 9.045 9.241 -0.196 18833 6770 1 13 . 1 1 89 89 LEU N N 89 124.501 124.501 124.422 0.079 18833 6771 1 13 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.679 0.042 18833 6772 1 13 . 1 1 89 89 LEU C C 89 175.180 175.180 174.214 0.966 18833 6773 1 13 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.500 0.238 18833 6774 1 13 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.583 0.783 18833 6775 1 13 . 1 1 89 89 LEU H H 89 7.977 7.977 8.803 -0.826 18833 6776 1 13 . 1 1 90 90 LEU N N 90 127.520 127.520 126.341 1.179 18833 6777 1 13 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.956 0.333 18833 6778 1 13 . 1 1 90 90 LEU C C 90 173.616 173.616 174.641 -1.025 18833 6779 1 13 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.644 0.511 18833 6780 1 13 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.408 -0.388 18833 6781 1 13 . 1 1 90 90 LEU H H 90 8.896 8.896 8.594 0.302 18833 6782 1 13 . 1 1 91 91 GLU N N 91 118.964 118.964 120.589 -1.625 18833 6783 1 13 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.157 -0.071 18833 6784 1 13 . 1 1 91 91 GLU C C 91 176.652 176.652 175.944 0.708 18833 6785 1 13 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.289 -0.471 18833 6786 1 13 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.524 0.382 18833 6787 1 13 . 1 1 91 91 GLU H H 91 8.825 8.825 9.043 -0.218 18833 6788 1 13 . 1 1 92 92 LYS N N 92 128.805 128.805 126.668 2.137 18833 6789 1 13 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.572 -0.203 18833 6790 1 13 . 1 1 92 92 LYS C C 92 178.011 178.011 177.002 1.009 18833 6791 1 13 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.546 -1.206 18833 6792 1 13 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.034 -0.965 18833 6793 1 13 . 1 1 92 92 LYS H H 92 9.333 9.333 8.892 0.441 18833 6794 1 13 . 1 1 93 93 GLY N N 93 117.774 117.774 108.719 9.055 18833 6795 1 13 . 1 1 93 93 GLY C C 93 173.157 173.157 173.037 0.120 18833 6796 1 13 . 1 1 93 93 GLY CA C 93 45.175 45.175 43.482 1.693 18833 6797 1 13 . 1 1 93 93 GLY H H 93 9.735 9.735 8.129 1.606 18833 6798 1 13 . 1 1 94 94 GLN N N 94 116.912 116.912 117.048 -0.136 18833 6799 1 13 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.266 -0.002 18833 6800 1 13 . 1 1 94 94 GLN C C 94 175.955 175.955 175.684 0.271 18833 6801 1 13 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.865 -0.364 18833 6802 1 13 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.094 0.624 18833 6803 1 13 . 1 1 94 94 GLN H H 94 8.243 8.243 8.441 -0.198 18833 6804 1 13 . 1 1 95 95 SER N N 95 118.157 118.157 118.660 -0.503 18833 6805 1 13 . 1 1 95 95 SER HA H 95 4.662 4.662 4.342 0.320 18833 6806 1 13 . 1 1 95 95 SER CA C 95 56.615 56.615 57.384 -0.769 18833 6807 1 13 . 1 1 95 95 SER CB C 95 63.203 63.203 63.110 0.093 18833 6808 1 13 . 1 1 95 95 SER H H 95 8.396 8.396 8.532 -0.136 18833 6809 1 13 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.472 0.005 18833 6810 1 13 . 1 1 96 96 PRO C C 96 176.303 176.303 175.915 0.388 18833 6811 1 13 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.167 0.347 18833 6812 1 13 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.088 -0.159 18833 6813 1 14 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.391 0.081 18833 6814 1 14 . 1 1 2 2 PRO C C 2 175.867 175.867 176.388 -0.521 18833 6815 1 14 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.217 0.623 18833 6816 1 14 . 1 1 2 2 PRO CB C 2 32.313 32.313 31.306 1.007 18833 6817 1 14 . 1 1 3 3 LYS N N 3 124.698 124.698 125.388 -0.690 18833 6818 1 14 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.564 0.043 18833 6819 1 14 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.346 -0.739 18833 6820 1 14 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.031 -0.444 18833 6821 1 14 . 1 1 3 3 LYS H H 3 8.933 8.933 9.036 -0.103 18833 6822 1 14 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.303 -0.362 18833 6823 1 14 . 1 1 4 4 PRO C C 4 177.504 177.504 177.512 -0.008 18833 6824 1 14 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.238 0.274 18833 6825 1 14 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.141 0.529 18833 6826 1 14 . 1 1 5 5 GLY N N 5 113.652 113.652 112.477 1.175 18833 6827 1 14 . 1 1 5 5 GLY C C 5 174.146 174.146 173.626 0.520 18833 6828 1 14 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.801 0.271 18833 6829 1 14 . 1 1 5 5 GLY H H 5 9.014 9.014 8.566 0.448 18833 6830 1 14 . 1 1 6 6 ASP N N 6 121.766 121.766 121.378 0.388 18833 6831 1 14 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.965 -0.294 18833 6832 1 14 . 1 1 6 6 ASP C C 6 175.762 175.762 175.401 0.361 18833 6833 1 14 . 1 1 6 6 ASP CA C 6 54.899 54.899 53.308 1.591 18833 6834 1 14 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.722 -1.317 18833 6835 1 14 . 1 1 6 6 ASP H H 6 8.489 8.489 8.116 0.373 18833 6836 1 14 . 1 1 7 7 ILE N N 7 121.794 121.794 121.203 0.591 18833 6837 1 14 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.644 0.689 18833 6838 1 14 . 1 1 7 7 ILE C C 7 176.854 176.854 175.799 1.055 18833 6839 1 14 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.683 -1.051 18833 6840 1 14 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.446 -1.231 18833 6841 1 14 . 1 1 7 7 ILE H H 7 8.368 8.368 8.565 -0.197 18833 6842 1 14 . 1 1 8 8 PHE N N 8 125.873 125.873 123.925 1.948 18833 6843 1 14 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.954 0.110 18833 6844 1 14 . 1 1 8 8 PHE C C 8 171.167 171.167 173.012 -1.845 18833 6845 1 14 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.677 -0.127 18833 6846 1 14 . 1 1 8 8 PHE CB C 8 41.333 41.333 40.920 0.413 18833 6847 1 14 . 1 1 8 8 PHE H H 8 9.498 9.498 8.608 0.890 18833 6848 1 14 . 1 1 9 9 GLU N N 9 119.065 119.065 119.728 -0.663 18833 6849 1 14 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.935 0.280 18833 6850 1 14 . 1 1 9 9 GLU C C 9 176.019 176.019 176.075 -0.056 18833 6851 1 14 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.356 -1.367 18833 6852 1 14 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.424 1.987 18833 6853 1 14 . 1 1 9 9 GLU H H 9 8.502 8.502 8.510 -0.008 18833 6854 1 14 . 1 1 10 10 VAL N N 10 120.078 120.078 123.524 -3.446 18833 6855 1 14 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.463 -0.328 18833 6856 1 14 . 1 1 10 10 VAL C C 10 173.177 173.177 174.263 -1.086 18833 6857 1 14 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.772 0.341 18833 6858 1 14 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.161 1.620 18833 6859 1 14 . 1 1 10 10 VAL H H 10 8.581 8.581 9.165 -0.584 18833 6860 1 14 . 1 1 11 11 GLU N N 11 126.482 126.482 126.212 0.270 18833 6861 1 14 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.279 -0.280 18833 6862 1 14 . 1 1 11 11 GLU C C 11 174.618 174.618 174.906 -0.288 18833 6863 1 14 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.304 0.510 18833 6864 1 14 . 1 1 11 11 GLU CB C 11 31.008 31.008 31.892 -0.884 18833 6865 1 14 . 1 1 11 11 GLU H H 11 7.810 7.810 8.564 -0.754 18833 6866 1 14 . 1 1 12 12 LEU N N 12 126.093 126.093 124.861 1.232 18833 6867 1 14 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.667 -0.013 18833 6868 1 14 . 1 1 12 12 LEU C C 12 174.013 174.013 175.234 -1.221 18833 6869 1 14 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.545 -0.371 18833 6870 1 14 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.989 0.877 18833 6871 1 14 . 1 1 12 12 LEU H H 12 8.888 8.888 7.993 0.895 18833 6872 1 14 . 1 1 13 13 ALA N N 13 126.137 126.137 127.068 -0.931 18833 6873 1 14 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.856 0.245 18833 6874 1 14 . 1 1 13 13 ALA C C 13 177.290 177.290 177.405 -0.115 18833 6875 1 14 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.814 -0.931 18833 6876 1 14 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.622 -1.212 18833 6877 1 14 . 1 1 13 13 ALA H H 13 8.494 8.494 8.667 -0.173 18833 6878 1 14 . 1 1 14 14 LYS N N 14 120.270 120.270 122.855 -2.585 18833 6879 1 14 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.321 -0.523 18833 6880 1 14 . 1 1 14 14 LYS C C 14 176.313 176.313 176.641 -0.328 18833 6881 1 14 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.415 2.383 18833 6882 1 14 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.385 2.528 18833 6883 1 14 . 1 1 14 14 LYS H H 14 8.486 8.486 8.468 0.018 18833 6884 1 14 . 1 1 15 15 ASN N N 15 117.746 117.746 117.543 0.203 18833 6885 1 14 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.498 0.326 18833 6886 1 14 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.165 -2.386 18833 6887 1 14 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.873 1.249 18833 6888 1 14 . 1 1 15 15 ASN H H 15 8.139 8.139 8.328 -0.189 18833 6889 1 14 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.647 -0.346 18833 6890 1 14 . 1 1 16 16 ASP C C 16 175.367 175.367 176.047 -0.680 18833 6891 1 14 . 1 1 16 16 ASP CA C 16 55.452 55.452 55.114 0.338 18833 6892 1 14 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.392 -1.936 18833 6893 1 14 . 1 1 17 17 ASN N N 17 111.793 111.793 119.426 -7.633 18833 6894 1 14 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.640 -0.260 18833 6895 1 14 . 1 1 17 17 ASN C C 17 174.599 174.599 175.817 -1.218 18833 6896 1 14 . 1 1 17 17 ASN CA C 17 53.793 53.793 54.903 -1.110 18833 6897 1 14 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.221 -0.505 18833 6898 1 14 . 1 1 17 17 ASN H H 17 8.698 8.698 8.767 -0.069 18833 6899 1 14 . 1 1 18 18 SER N N 18 112.321 112.321 116.487 -4.166 18833 6900 1 14 . 1 1 18 18 SER HA H 18 4.827 4.827 4.529 0.298 18833 6901 1 14 . 1 1 18 18 SER CA C 18 56.795 56.795 57.728 -0.933 18833 6902 1 14 . 1 1 18 18 SER CB C 18 64.855 64.855 64.172 0.683 18833 6903 1 14 . 1 1 18 18 SER H H 18 7.989 7.989 8.188 -0.199 18833 6904 1 14 . 1 1 19 19 LEU N N 19 127.097 127.097 125.940 1.157 18833 6905 1 14 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.204 -0.038 18833 6906 1 14 . 1 1 19 19 LEU C C 19 177.329 177.329 178.204 -0.875 18833 6907 1 14 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.805 -0.292 18833 6908 1 14 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.288 1.031 18833 6909 1 14 . 1 1 19 19 LEU H H 19 9.247 9.247 8.725 0.522 18833 6910 1 14 . 1 1 20 20 GLY N N 20 104.340 104.340 106.235 -1.895 18833 6911 1 14 . 1 1 20 20 GLY C C 20 175.984 175.984 173.992 1.992 18833 6912 1 14 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.520 1.279 18833 6913 1 14 . 1 1 20 20 GLY H H 20 8.664 8.664 8.352 0.312 18833 6914 1 14 . 1 1 21 21 ILE N N 21 115.279 115.279 118.101 -2.822 18833 6915 1 14 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.034 -0.038 18833 6916 1 14 . 1 1 21 21 ILE C C 21 175.972 175.972 175.419 0.553 18833 6917 1 14 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.853 -0.072 18833 6918 1 14 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.273 1.349 18833 6919 1 14 . 1 1 21 21 ILE H H 21 7.614 7.614 7.772 -0.158 18833 6920 1 14 . 1 1 22 22 CYS N N 22 122.210 122.210 120.793 1.417 18833 6921 1 14 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.886 0.385 18833 6922 1 14 . 1 1 22 22 CYS C C 22 175.904 175.904 172.793 3.111 18833 6923 1 14 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.752 -5.807 18833 6924 1 14 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.317 3.875 18833 6925 1 14 . 1 1 22 22 CYS H H 22 8.506 8.506 8.470 0.036 18833 6926 1 14 . 1 1 23 23 VAL N N 23 117.739 117.739 116.016 1.723 18833 6927 1 14 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.320 0.147 18833 6928 1 14 . 1 1 23 23 VAL C C 23 173.821 173.821 174.040 -0.219 18833 6929 1 14 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.105 -0.285 18833 6930 1 14 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.547 0.208 18833 6931 1 14 . 1 1 23 23 VAL H H 23 9.203 9.203 8.432 0.771 18833 6932 1 14 . 1 1 24 24 THR N N 24 114.753 114.753 114.172 0.581 18833 6933 1 14 . 1 1 24 24 THR HA H 24 4.649 4.649 4.673 -0.024 18833 6934 1 14 . 1 1 24 24 THR C C 24 171.786 171.786 173.100 -1.314 18833 6935 1 14 . 1 1 24 24 THR CA C 24 59.529 59.529 59.610 -0.081 18833 6936 1 14 . 1 1 24 24 THR CB C 24 70.563 70.563 70.589 -0.026 18833 6937 1 14 . 1 1 24 24 THR H H 24 9.237 9.237 8.641 0.596 18833 6938 1 14 . 1 1 25 25 GLY N N 25 111.927 111.927 109.645 2.282 18833 6939 1 14 . 1 1 25 25 GLY C C 25 174.099 174.099 172.582 1.517 18833 6940 1 14 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.782 -0.170 18833 6941 1 14 . 1 1 25 25 GLY H H 25 8.291 8.291 8.256 0.035 18833 6942 1 14 . 1 1 26 26 GLY N N 26 107.140 107.140 107.103 0.037 18833 6943 1 14 . 1 1 26 26 GLY C C 26 176.180 176.180 174.280 1.900 18833 6944 1 14 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.040 -1.237 18833 6945 1 14 . 1 1 26 26 GLY H H 26 7.545 7.545 8.238 -0.693 18833 6946 1 14 . 1 1 27 27 VAL N N 27 116.837 116.837 120.770 -3.933 18833 6947 1 14 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.949 0.177 18833 6948 1 14 . 1 1 27 27 VAL C C 27 175.764 175.764 176.081 -0.317 18833 6949 1 14 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.603 1.192 18833 6950 1 14 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.864 1.119 18833 6951 1 14 . 1 1 27 27 VAL H H 27 8.091 8.091 8.363 -0.272 18833 6952 1 14 . 1 1 28 28 ASN N N 28 117.997 117.997 118.123 -0.126 18833 6953 1 14 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.456 0.353 18833 6954 1 14 . 1 1 28 28 ASN C C 28 174.860 174.860 174.184 0.676 18833 6955 1 14 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.450 0.005 18833 6956 1 14 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.229 0.518 18833 6957 1 14 . 1 1 28 28 ASN H H 28 8.795 8.795 8.085 0.710 18833 6958 1 14 . 1 1 29 29 THR N N 29 111.381 111.381 113.478 -2.097 18833 6959 1 14 . 1 1 29 29 THR HA H 29 4.689 4.689 4.511 0.178 18833 6960 1 14 . 1 1 29 29 THR CA C 29 61.526 61.526 60.426 1.100 18833 6961 1 14 . 1 1 29 29 THR CB C 29 70.889 70.889 69.846 1.043 18833 6962 1 14 . 1 1 29 29 THR H H 29 7.858 7.858 8.192 -0.334 18833 6963 1 14 . 1 1 30 30 SER N N 30 114.070 114.070 115.476 -1.406 18833 6964 1 14 . 1 1 30 30 SER HA H 30 4.535 4.535 4.224 0.311 18833 6965 1 14 . 1 1 30 30 SER C C 30 174.879 174.879 174.204 0.675 18833 6966 1 14 . 1 1 30 30 SER CA C 30 58.380 58.380 59.947 -1.567 18833 6967 1 14 . 1 1 30 30 SER CB C 30 63.532 63.532 63.145 0.387 18833 6968 1 14 . 1 1 30 30 SER H H 30 8.433 8.433 8.669 -0.236 18833 6969 1 14 . 1 1 31 31 VAL N N 31 118.337 118.337 115.611 2.726 18833 6970 1 14 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.196 -0.105 18833 6971 1 14 . 1 1 31 31 VAL C C 31 176.528 176.528 176.283 0.245 18833 6972 1 14 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.205 0.940 18833 6973 1 14 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.649 -0.149 18833 6974 1 14 . 1 1 31 31 VAL H H 31 7.588 7.588 7.384 0.204 18833 6975 1 14 . 1 1 32 32 ARG N N 32 124.670 124.670 127.807 -3.137 18833 6976 1 14 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.017 -0.006 18833 6977 1 14 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.758 -0.785 18833 6978 1 14 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.284 -0.709 18833 6979 1 14 . 1 1 32 32 ARG H H 32 8.511 8.511 8.752 -0.241 18833 6980 1 14 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.511 0.062 18833 6981 1 14 . 1 1 33 33 HIS C C 33 175.064 175.064 175.812 -0.748 18833 6982 1 14 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.552 0.279 18833 6983 1 14 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.764 -0.646 18833 6984 1 14 . 1 1 34 34 GLY N N 34 109.531 109.531 107.550 1.981 18833 6985 1 14 . 1 1 34 34 GLY C C 34 174.582 174.582 174.884 -0.302 18833 6986 1 14 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.825 0.756 18833 6987 1 14 . 1 1 34 34 GLY H H 34 8.471 8.471 7.621 0.850 18833 6988 1 14 . 1 1 35 35 GLY N N 35 105.151 105.151 107.594 -2.443 18833 6989 1 14 . 1 1 35 35 GLY C C 35 170.505 170.505 174.277 -3.772 18833 6990 1 14 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.772 0.805 18833 6991 1 14 . 1 1 35 35 GLY H H 35 7.833 7.833 8.051 -0.218 18833 6992 1 14 . 1 1 36 36 ILE N N 36 119.676 119.676 123.484 -3.808 18833 6993 1 14 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.453 0.259 18833 6994 1 14 . 1 1 36 36 ILE C C 36 174.641 174.641 175.470 -0.829 18833 6995 1 14 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.853 -1.769 18833 6996 1 14 . 1 1 36 36 ILE CB C 36 35.732 35.732 35.515 0.217 18833 6997 1 14 . 1 1 36 36 ILE H H 36 8.350 8.350 7.643 0.707 18833 6998 1 14 . 1 1 37 37 TYR N N 37 123.307 123.307 126.984 -3.677 18833 6999 1 14 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.940 0.367 18833 7000 1 14 . 1 1 37 37 TYR C C 37 176.165 176.165 176.425 -0.260 18833 7001 1 14 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.564 -1.717 18833 7002 1 14 . 1 1 37 37 TYR CB C 37 42.329 42.329 39.673 2.656 18833 7003 1 14 . 1 1 37 37 TYR H H 37 8.892 8.892 8.064 0.828 18833 7004 1 14 . 1 1 38 38 VAL N N 38 120.580 120.580 121.521 -0.941 18833 7005 1 14 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.003 -0.267 18833 7006 1 14 . 1 1 38 38 VAL C C 38 175.983 175.983 176.249 -0.266 18833 7007 1 14 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.516 0.154 18833 7008 1 14 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.461 0.067 18833 7009 1 14 . 1 1 38 38 VAL H H 38 9.365 9.365 9.105 0.260 18833 7010 1 14 . 1 1 39 39 LYS N N 39 133.297 133.297 129.073 4.224 18833 7011 1 14 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.482 -0.097 18833 7012 1 14 . 1 1 39 39 LYS C C 39 174.520 174.520 175.492 -0.972 18833 7013 1 14 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.415 0.094 18833 7014 1 14 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.677 -0.043 18833 7015 1 14 . 1 1 39 39 LYS H H 39 9.560 9.560 8.926 0.634 18833 7016 1 14 . 1 1 40 40 ALA N N 40 118.155 118.155 119.478 -1.323 18833 7017 1 14 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.644 -0.139 18833 7018 1 14 . 1 1 40 40 ALA C C 40 174.639 174.639 174.637 0.002 18833 7019 1 14 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.585 0.210 18833 7020 1 14 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.693 0.787 18833 7021 1 14 . 1 1 40 40 ALA H H 40 7.498 7.498 7.443 0.055 18833 7022 1 14 . 1 1 41 41 VAL N N 41 121.634 121.634 119.632 2.002 18833 7023 1 14 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.874 -0.465 18833 7024 1 14 . 1 1 41 41 VAL C C 41 175.829 175.829 175.459 0.370 18833 7025 1 14 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.375 0.929 18833 7026 1 14 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.290 -3.095 18833 7027 1 14 . 1 1 41 41 VAL H H 41 8.634 8.634 8.356 0.278 18833 7028 1 14 . 1 1 42 42 ILE N N 42 128.094 128.094 126.847 1.247 18833 7029 1 14 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.321 -0.175 18833 7030 1 14 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.327 -0.681 18833 7031 1 14 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.789 -0.784 18833 7032 1 14 . 1 1 42 42 ILE H H 42 7.944 7.944 8.881 -0.937 18833 7033 1 14 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.424 0.027 18833 7034 1 14 . 1 1 43 43 PRO C C 43 177.234 177.234 176.724 0.510 18833 7035 1 14 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.287 0.910 18833 7036 1 14 . 1 1 43 43 PRO CB C 43 31.845 31.845 30.649 1.196 18833 7037 1 14 . 1 1 44 44 GLN N N 44 116.825 116.825 120.039 -3.214 18833 7038 1 14 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.895 -0.046 18833 7039 1 14 . 1 1 44 44 GLN C C 44 175.752 175.752 175.024 0.728 18833 7040 1 14 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.348 1.784 18833 7041 1 14 . 1 1 44 44 GLN CB C 44 26.474 26.474 28.042 -1.568 18833 7042 1 14 . 1 1 44 44 GLN H H 44 9.345 9.345 9.249 0.096 18833 7043 1 14 . 1 1 45 45 GLY N N 45 106.186 106.186 105.232 0.954 18833 7044 1 14 . 1 1 45 45 GLY C C 45 174.374 174.374 173.848 0.526 18833 7045 1 14 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.203 0.521 18833 7046 1 14 . 1 1 45 45 GLY H H 45 7.887 7.887 7.860 0.027 18833 7047 1 14 . 1 1 46 46 ALA N N 46 120.843 120.843 124.094 -3.251 18833 7048 1 14 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.256 -0.197 18833 7049 1 14 . 1 1 46 46 ALA C C 46 180.628 180.628 179.296 1.332 18833 7050 1 14 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.103 -0.068 18833 7051 1 14 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.874 -0.252 18833 7052 1 14 . 1 1 46 46 ALA H H 46 8.907 8.907 8.122 0.785 18833 7053 1 14 . 1 1 47 47 ALA N N 47 118.721 118.721 120.609 -1.888 18833 7054 1 14 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.917 0.154 18833 7055 1 14 . 1 1 47 47 ALA C C 47 180.589 180.589 179.335 1.254 18833 7056 1 14 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.172 -0.326 18833 7057 1 14 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.820 0.949 18833 7058 1 14 . 1 1 47 47 ALA H H 47 7.856 7.856 7.856 -0.000 18833 7059 1 14 . 1 1 48 48 GLU N N 48 124.373 124.373 119.138 5.235 18833 7060 1 14 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.906 -0.097 18833 7061 1 14 . 1 1 48 48 GLU C C 48 178.120 178.120 178.807 -0.687 18833 7062 1 14 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.930 0.927 18833 7063 1 14 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.444 0.175 18833 7064 1 14 . 1 1 48 48 GLU H H 48 9.195 9.195 8.586 0.609 18833 7065 1 14 . 1 1 49 49 SER N N 49 113.220 113.220 114.096 -0.876 18833 7066 1 14 . 1 1 49 49 SER HA H 49 4.099 4.099 4.186 -0.087 18833 7067 1 14 . 1 1 49 49 SER C C 49 175.707 175.707 176.253 -0.546 18833 7068 1 14 . 1 1 49 49 SER CA C 49 61.168 61.168 60.745 0.423 18833 7069 1 14 . 1 1 49 49 SER CB C 49 62.775 62.775 63.318 -0.543 18833 7070 1 14 . 1 1 49 49 SER H H 49 8.020 8.020 8.030 -0.010 18833 7071 1 14 . 1 1 50 50 ASP N N 50 120.022 120.022 119.243 0.779 18833 7072 1 14 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.555 -0.175 18833 7073 1 14 . 1 1 50 50 ASP C C 50 177.650 177.650 177.538 0.112 18833 7074 1 14 . 1 1 50 50 ASP CA C 50 57.197 57.197 54.622 2.575 18833 7075 1 14 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.778 2.457 18833 7076 1 14 . 1 1 50 50 ASP H H 50 7.579 7.579 7.610 -0.031 18833 7077 1 14 . 1 1 51 51 GLY N N 51 102.979 102.979 106.843 -3.864 18833 7078 1 14 . 1 1 51 51 GLY C C 51 175.026 175.026 175.386 -0.360 18833 7079 1 14 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.553 0.793 18833 7080 1 14 . 1 1 51 51 GLY H H 51 7.364 7.364 8.216 -0.852 18833 7081 1 14 . 1 1 52 52 ARG N N 52 117.501 117.501 119.476 -1.975 18833 7082 1 14 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.212 0.096 18833 7083 1 14 . 1 1 52 52 ARG C C 52 175.898 175.898 176.389 -0.491 18833 7084 1 14 . 1 1 52 52 ARG CA C 52 57.904 57.904 58.078 -0.174 18833 7085 1 14 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.881 2.118 18833 7086 1 14 . 1 1 52 52 ARG H H 52 7.958 7.958 8.165 -0.207 18833 7087 1 14 . 1 1 53 53 ILE N N 53 120.028 120.028 117.595 2.433 18833 7088 1 14 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.242 -0.010 18833 7089 1 14 . 1 1 53 53 ILE C C 53 173.773 173.773 174.506 -0.733 18833 7090 1 14 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.305 1.124 18833 7091 1 14 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.861 -0.162 18833 7092 1 14 . 1 1 53 53 ILE H H 53 8.223 8.223 7.728 0.495 18833 7093 1 14 . 1 1 54 54 HIS N N 54 123.681 123.681 123.966 -0.285 18833 7094 1 14 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.875 -0.074 18833 7095 1 14 . 1 1 54 54 HIS C C 54 173.826 173.826 174.308 -0.482 18833 7096 1 14 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.306 0.579 18833 7097 1 14 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.809 0.690 18833 7098 1 14 . 1 1 54 54 HIS H H 54 9.073 9.073 8.476 0.597 18833 7099 1 14 . 1 1 55 55 LYS N N 55 120.814 120.814 120.038 0.776 18833 7100 1 14 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.965 -0.355 18833 7101 1 14 . 1 1 55 55 LYS C C 55 177.014 177.014 177.593 -0.579 18833 7102 1 14 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.240 1.193 18833 7103 1 14 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.486 0.874 18833 7104 1 14 . 1 1 55 55 LYS H H 55 8.715 8.715 8.641 0.074 18833 7105 1 14 . 1 1 56 56 GLY N N 56 114.423 114.423 110.814 3.609 18833 7106 1 14 . 1 1 56 56 GLY C C 56 174.469 174.469 173.725 0.744 18833 7107 1 14 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.259 -0.421 18833 7108 1 14 . 1 1 56 56 GLY H H 56 9.128 9.128 9.243 -0.115 18833 7109 1 14 . 1 1 57 57 ASP N N 57 121.735 121.735 122.041 -0.306 18833 7110 1 14 . 1 1 57 57 ASP HA H 57 4.883 4.883 5.032 -0.149 18833 7111 1 14 . 1 1 57 57 ASP C C 57 174.808 174.808 174.597 0.211 18833 7112 1 14 . 1 1 57 57 ASP CA C 57 55.827 55.827 53.042 2.784 18833 7113 1 14 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.719 -1.664 18833 7114 1 14 . 1 1 57 57 ASP H H 57 8.033 8.033 7.623 0.410 18833 7115 1 14 . 1 1 58 58 ARG N N 58 123.530 123.530 118.275 5.255 18833 7116 1 14 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.679 -0.041 18833 7117 1 14 . 1 1 58 58 ARG C C 58 175.641 175.641 174.812 0.829 18833 7118 1 14 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.572 0.128 18833 7119 1 14 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.578 2.053 18833 7120 1 14 . 1 1 58 58 ARG H H 58 9.097 9.097 8.572 0.525 18833 7121 1 14 . 1 1 59 59 VAL N N 59 126.202 126.202 121.597 4.605 18833 7122 1 14 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.452 -0.547 18833 7123 1 14 . 1 1 59 59 VAL C C 59 174.515 174.515 175.160 -0.645 18833 7124 1 14 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.236 0.916 18833 7125 1 14 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.682 -2.608 18833 7126 1 14 . 1 1 59 59 VAL H H 59 8.898 8.898 8.762 0.136 18833 7127 1 14 . 1 1 60 60 LEU N N 60 127.209 127.209 120.528 6.681 18833 7128 1 14 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.890 -0.570 18833 7129 1 14 . 1 1 60 60 LEU C C 60 178.352 178.352 176.038 2.314 18833 7130 1 14 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.880 1.281 18833 7131 1 14 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.544 -0.919 18833 7132 1 14 . 1 1 60 60 LEU H H 60 9.193 9.193 8.695 0.498 18833 7133 1 14 . 1 1 61 61 ALA N N 61 118.965 118.965 120.274 -1.309 18833 7134 1 14 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.326 -0.387 18833 7135 1 14 . 1 1 61 61 ALA C C 61 175.332 175.332 175.424 -0.092 18833 7136 1 14 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.271 2.021 18833 7137 1 14 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.841 -0.755 18833 7138 1 14 . 1 1 61 61 ALA H H 61 7.759 7.759 7.475 0.284 18833 7139 1 14 . 1 1 62 62 VAL N N 62 119.695 119.695 119.219 0.476 18833 7140 1 14 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.550 -0.066 18833 7141 1 14 . 1 1 62 62 VAL C C 62 175.538 175.538 175.929 -0.391 18833 7142 1 14 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.446 -0.909 18833 7143 1 14 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.158 -0.197 18833 7144 1 14 . 1 1 62 62 VAL H H 62 8.218 8.218 8.308 -0.090 18833 7145 1 14 . 1 1 63 63 ASN N N 63 128.940 128.940 128.317 0.623 18833 7146 1 14 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.412 0.159 18833 7147 1 14 . 1 1 63 63 ASN C C 63 175.155 175.155 175.592 -0.437 18833 7148 1 14 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.415 0.044 18833 7149 1 14 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.304 -1.385 18833 7150 1 14 . 1 1 63 63 ASN H H 63 10.387 10.387 9.503 0.884 18833 7151 1 14 . 1 1 64 64 GLY N N 64 103.432 103.432 102.269 1.163 18833 7152 1 14 . 1 1 64 64 GLY C C 64 173.902 173.902 174.139 -0.237 18833 7153 1 14 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.080 0.117 18833 7154 1 14 . 1 1 64 64 GLY H H 64 9.094 9.094 8.634 0.460 18833 7155 1 14 . 1 1 65 65 VAL N N 65 123.418 123.418 121.867 1.551 18833 7156 1 14 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.193 -0.217 18833 7157 1 14 . 1 1 65 65 VAL C C 65 175.675 175.675 175.393 0.282 18833 7158 1 14 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.058 1.004 18833 7159 1 14 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.817 -0.988 18833 7160 1 14 . 1 1 65 65 VAL H H 65 7.948 7.948 7.739 0.209 18833 7161 1 14 . 1 1 66 66 SER N N 66 121.122 121.122 124.580 -3.458 18833 7162 1 14 . 1 1 66 66 SER HA H 66 4.365 4.365 4.424 -0.059 18833 7163 1 14 . 1 1 66 66 SER C C 66 176.402 176.402 174.375 2.027 18833 7164 1 14 . 1 1 66 66 SER CA C 66 58.310 58.310 59.125 -0.815 18833 7165 1 14 . 1 1 66 66 SER CB C 66 63.651 63.651 63.138 0.513 18833 7166 1 14 . 1 1 66 66 SER H H 66 8.671 8.671 8.777 -0.106 18833 7167 1 14 . 1 1 67 67 LEU N N 67 125.351 125.351 124.845 0.506 18833 7168 1 14 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.488 -0.048 18833 7169 1 14 . 1 1 67 67 LEU C C 67 176.359 176.359 177.271 -0.912 18833 7170 1 14 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.441 -0.574 18833 7171 1 14 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.745 -0.764 18833 7172 1 14 . 1 1 67 67 LEU H H 67 8.205 8.205 8.200 0.005 18833 7173 1 14 . 1 1 68 68 GLU N N 68 123.211 123.211 119.209 4.002 18833 7174 1 14 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.101 -0.055 18833 7175 1 14 . 1 1 68 68 GLU C C 68 177.820 177.820 177.611 0.209 18833 7176 1 14 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.676 0.859 18833 7177 1 14 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.631 -0.551 18833 7178 1 14 . 1 1 68 68 GLU H H 68 8.300 8.300 7.683 0.617 18833 7179 1 14 . 1 1 69 69 GLY N N 69 115.507 115.507 112.130 3.377 18833 7180 1 14 . 1 1 69 69 GLY C C 69 173.652 173.652 174.289 -0.637 18833 7181 1 14 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.068 0.279 18833 7182 1 14 . 1 1 69 69 GLY H H 69 8.945 8.945 9.024 -0.079 18833 7183 1 14 . 1 1 70 70 ALA N N 70 122.308 122.308 124.588 -2.280 18833 7184 1 14 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.450 0.040 18833 7185 1 14 . 1 1 70 70 ALA C C 70 179.583 179.583 176.229 3.354 18833 7186 1 14 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.965 0.519 18833 7187 1 14 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.762 -0.175 18833 7188 1 14 . 1 1 70 70 ALA H H 70 7.882 7.882 7.471 0.411 18833 7189 1 14 . 1 1 71 71 THR N N 71 111.173 111.173 110.626 0.547 18833 7190 1 14 . 1 1 71 71 THR HA H 71 4.526 4.526 4.407 0.119 18833 7191 1 14 . 1 1 71 71 THR C C 71 174.660 174.660 176.029 -1.369 18833 7192 1 14 . 1 1 71 71 THR CA C 71 60.732 60.732 60.846 -0.114 18833 7193 1 14 . 1 1 71 71 THR CB C 71 71.196 71.196 70.645 0.551 18833 7194 1 14 . 1 1 71 71 THR H H 71 8.185 8.185 7.963 0.222 18833 7195 1 14 . 1 1 72 72 HIS N N 72 121.107 121.107 118.966 2.141 18833 7196 1 14 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.223 -0.223 18833 7197 1 14 . 1 1 72 72 HIS C C 72 176.702 176.702 177.561 -0.859 18833 7198 1 14 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.622 1.830 18833 7199 1 14 . 1 1 72 72 HIS CB C 72 30.309 30.309 28.925 1.384 18833 7200 1 14 . 1 1 72 72 HIS H H 72 9.077 9.077 8.950 0.127 18833 7201 1 14 . 1 1 73 73 LYS N N 73 116.672 116.672 118.604 -1.932 18833 7202 1 14 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.835 -0.079 18833 7203 1 14 . 1 1 73 73 LYS C C 73 178.603 178.603 178.760 -0.157 18833 7204 1 14 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.935 0.087 18833 7205 1 14 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.829 0.631 18833 7206 1 14 . 1 1 73 73 LYS H H 73 8.473 8.473 7.752 0.721 18833 7207 1 14 . 1 1 74 74 GLN N N 74 116.558 116.558 118.239 -1.681 18833 7208 1 14 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.050 -0.118 18833 7209 1 14 . 1 1 74 74 GLN C C 74 179.891 179.891 178.467 1.424 18833 7210 1 14 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.398 0.173 18833 7211 1 14 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.096 0.229 18833 7212 1 14 . 1 1 74 74 GLN H H 74 7.568 7.568 7.531 0.037 18833 7213 1 14 . 1 1 75 75 ALA N N 75 123.337 123.337 123.075 0.262 18833 7214 1 14 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.034 -0.240 18833 7215 1 14 . 1 1 75 75 ALA C C 75 178.309 178.309 179.590 -1.281 18833 7216 1 14 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.269 0.399 18833 7217 1 14 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.230 1.137 18833 7218 1 14 . 1 1 75 75 ALA H H 75 8.320 8.320 7.875 0.445 18833 7219 1 14 . 1 1 76 76 VAL N N 76 118.172 118.172 118.419 -0.247 18833 7220 1 14 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.716 -0.529 18833 7221 1 14 . 1 1 76 76 VAL C C 76 179.705 179.705 177.505 2.200 18833 7222 1 14 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.084 1.068 18833 7223 1 14 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.070 0.105 18833 7224 1 14 . 1 1 76 76 VAL H H 76 8.122 8.122 7.630 0.492 18833 7225 1 14 . 1 1 77 77 CYS N N 77 116.979 116.979 118.986 -2.007 18833 7226 1 14 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.030 0.171 18833 7227 1 14 . 1 1 77 77 CYS C C 77 177.004 177.004 177.596 -0.592 18833 7228 1 14 . 1 1 77 77 CYS CA C 77 61.892 61.892 62.936 -1.044 18833 7229 1 14 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.553 10.990 18833 7230 1 14 . 1 1 77 77 CYS H H 77 8.327 8.327 8.572 -0.245 18833 7231 1 14 . 1 1 78 78 THR N N 78 117.521 117.521 116.940 0.581 18833 7232 1 14 . 1 1 78 78 THR HA H 78 3.867 3.867 4.006 -0.139 18833 7233 1 14 . 1 1 78 78 THR C C 78 176.306 176.306 176.590 -0.284 18833 7234 1 14 . 1 1 78 78 THR CA C 78 67.197 67.197 66.759 0.438 18833 7235 1 14 . 1 1 78 78 THR CB C 78 68.145 68.145 68.682 -0.537 18833 7236 1 14 . 1 1 78 78 THR H H 78 8.259 8.259 8.054 0.205 18833 7237 1 14 . 1 1 79 79 LEU N N 79 119.714 119.714 121.848 -2.134 18833 7238 1 14 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.986 -0.150 18833 7239 1 14 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.664 0.286 18833 7240 1 14 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.372 0.256 18833 7241 1 14 . 1 1 79 79 LEU H H 79 7.748 7.748 7.468 0.280 18833 7242 1 14 . 1 1 80 80 ARG N N 80 119.613 119.613 119.361 0.252 18833 7243 1 14 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.944 0.171 18833 7244 1 14 . 1 1 80 80 ARG C C 80 177.905 177.905 178.028 -0.123 18833 7245 1 14 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.304 -0.842 18833 7246 1 14 . 1 1 80 80 ARG CB C 80 30.770 30.770 30.010 0.760 18833 7247 1 14 . 1 1 80 80 ARG H H 80 7.944 7.944 8.202 -0.258 18833 7248 1 14 . 1 1 81 81 ASN N N 81 119.257 119.257 114.462 4.795 18833 7249 1 14 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.852 0.109 18833 7250 1 14 . 1 1 81 81 ASN C C 81 175.030 175.030 175.362 -0.332 18833 7251 1 14 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.247 -0.441 18833 7252 1 14 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.695 -2.241 18833 7253 1 14 . 1 1 81 81 ASN H H 81 7.843 7.843 7.760 0.083 18833 7254 1 14 . 1 1 82 82 THR N N 82 109.817 109.817 113.591 -3.774 18833 7255 1 14 . 1 1 82 82 THR HA H 82 4.391 4.391 4.493 -0.102 18833 7256 1 14 . 1 1 82 82 THR C C 82 175.114 175.114 174.791 0.323 18833 7257 1 14 . 1 1 82 82 THR CA C 82 60.155 60.155 61.665 -1.510 18833 7258 1 14 . 1 1 82 82 THR CB C 82 72.327 72.327 70.584 1.743 18833 7259 1 14 . 1 1 82 82 THR H H 82 7.514 7.514 7.552 -0.038 18833 7260 1 14 . 1 1 83 83 GLY N N 83 109.536 109.536 106.709 2.827 18833 7261 1 14 . 1 1 83 83 GLY C C 83 173.492 173.492 174.686 -1.194 18833 7262 1 14 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.518 -0.392 18833 7263 1 14 . 1 1 83 83 GLY H H 83 8.406 8.406 8.420 -0.014 18833 7264 1 14 . 1 1 84 84 GLN N N 84 117.293 117.293 118.727 -1.434 18833 7265 1 14 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.189 -0.221 18833 7266 1 14 . 1 1 84 84 GLN C C 84 175.351 175.351 175.211 0.140 18833 7267 1 14 . 1 1 84 84 GLN CA C 84 58.512 58.512 58.253 0.259 18833 7268 1 14 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.150 -0.127 18833 7269 1 14 . 1 1 84 84 GLN H H 84 8.218 8.218 8.546 -0.328 18833 7270 1 14 . 1 1 85 85 VAL N N 85 116.238 116.238 117.108 -0.870 18833 7271 1 14 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.426 0.266 18833 7272 1 14 . 1 1 85 85 VAL C C 85 175.864 175.864 175.047 0.817 18833 7273 1 14 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.169 0.173 18833 7274 1 14 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.380 -0.006 18833 7275 1 14 . 1 1 85 85 VAL H H 85 7.715 7.715 7.638 0.077 18833 7276 1 14 . 1 1 86 86 VAL N N 86 128.273 128.273 125.241 3.032 18833 7277 1 14 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.268 0.256 18833 7278 1 14 . 1 1 86 86 VAL C C 86 173.320 173.320 174.147 -0.827 18833 7279 1 14 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.055 0.731 18833 7280 1 14 . 1 1 86 86 VAL CB C 86 35.105 35.105 36.128 -1.023 18833 7281 1 14 . 1 1 86 86 VAL H H 86 9.034 9.034 7.974 1.060 18833 7282 1 14 . 1 1 87 87 HIS N N 87 126.224 126.224 122.655 3.569 18833 7283 1 14 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.996 0.041 18833 7284 1 14 . 1 1 87 87 HIS C C 87 174.442 174.442 174.442 0.000 18833 7285 1 14 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.232 0.526 18833 7286 1 14 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.354 1.147 18833 7287 1 14 . 1 1 87 87 HIS H H 87 8.761 8.761 8.532 0.229 18833 7288 1 14 . 1 1 88 88 LEU N N 88 126.604 126.604 124.985 1.619 18833 7289 1 14 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.761 0.208 18833 7290 1 14 . 1 1 88 88 LEU C C 88 173.306 173.306 174.712 -1.406 18833 7291 1 14 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.571 0.078 18833 7292 1 14 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.578 0.710 18833 7293 1 14 . 1 1 88 88 LEU H H 88 9.045 9.045 9.371 -0.326 18833 7294 1 14 . 1 1 89 89 LEU N N 89 124.501 124.501 124.902 -0.401 18833 7295 1 14 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.695 0.026 18833 7296 1 14 . 1 1 89 89 LEU C C 89 175.180 175.180 174.378 0.802 18833 7297 1 14 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.486 0.252 18833 7298 1 14 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.314 1.052 18833 7299 1 14 . 1 1 89 89 LEU H H 89 7.977 7.977 8.659 -0.682 18833 7300 1 14 . 1 1 90 90 LEU N N 90 127.520 127.520 126.263 1.257 18833 7301 1 14 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.770 0.519 18833 7302 1 14 . 1 1 90 90 LEU C C 90 173.616 173.616 174.468 -0.852 18833 7303 1 14 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.865 0.290 18833 7304 1 14 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.294 -0.274 18833 7305 1 14 . 1 1 90 90 LEU H H 90 8.896 8.896 8.307 0.589 18833 7306 1 14 . 1 1 91 91 GLU N N 91 118.964 118.964 120.434 -1.470 18833 7307 1 14 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.032 0.054 18833 7308 1 14 . 1 1 91 91 GLU C C 91 176.652 176.652 175.650 1.002 18833 7309 1 14 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.181 -0.363 18833 7310 1 14 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.405 0.501 18833 7311 1 14 . 1 1 91 91 GLU H H 91 8.825 8.825 8.188 0.637 18833 7312 1 14 . 1 1 92 92 LYS N N 92 128.805 128.805 124.230 4.575 18833 7313 1 14 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.372 -0.003 18833 7314 1 14 . 1 1 92 92 LYS C C 92 178.011 178.011 176.410 1.601 18833 7315 1 14 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.755 -0.415 18833 7316 1 14 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.085 -1.016 18833 7317 1 14 . 1 1 92 92 LYS H H 92 9.333 9.333 8.889 0.444 18833 7318 1 14 . 1 1 93 93 GLY N N 93 117.774 117.774 109.070 8.704 18833 7319 1 14 . 1 1 93 93 GLY C C 93 173.157 173.157 172.934 0.223 18833 7320 1 14 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.731 0.444 18833 7321 1 14 . 1 1 93 93 GLY H H 93 9.735 9.735 8.452 1.283 18833 7322 1 14 . 1 1 94 94 GLN N N 94 116.912 116.912 118.237 -1.325 18833 7323 1 14 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.470 -0.206 18833 7324 1 14 . 1 1 94 94 GLN C C 94 175.955 175.955 175.872 0.083 18833 7325 1 14 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.005 0.496 18833 7326 1 14 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.100 -0.382 18833 7327 1 14 . 1 1 94 94 GLN H H 94 8.243 8.243 7.822 0.421 18833 7328 1 14 . 1 1 95 95 SER N N 95 118.157 118.157 118.993 -0.836 18833 7329 1 14 . 1 1 95 95 SER HA H 95 4.662 4.662 4.629 0.033 18833 7330 1 14 . 1 1 95 95 SER CA C 95 56.615 56.615 57.318 -0.703 18833 7331 1 14 . 1 1 95 95 SER CB C 95 63.203 63.203 63.507 -0.304 18833 7332 1 14 . 1 1 95 95 SER H H 95 8.396 8.396 8.487 -0.091 18833 7333 1 14 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.574 -0.097 18833 7334 1 14 . 1 1 96 96 PRO C C 96 176.303 176.303 176.512 -0.209 18833 7335 1 14 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.885 0.629 18833 7336 1 14 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.279 -0.350 18833 7337 1 15 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.458 0.014 18833 7338 1 15 . 1 1 2 2 PRO C C 2 175.867 175.867 176.365 -0.498 18833 7339 1 15 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.372 0.468 18833 7340 1 15 . 1 1 2 2 PRO CB C 2 32.313 32.313 31.872 0.442 18833 7341 1 15 . 1 1 3 3 LYS N N 3 124.698 124.698 125.003 -0.305 18833 7342 1 15 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.614 -0.008 18833 7343 1 15 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.310 -0.703 18833 7344 1 15 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.141 -0.554 18833 7345 1 15 . 1 1 3 3 LYS H H 3 8.933 8.933 9.127 -0.194 18833 7346 1 15 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.354 -0.413 18833 7347 1 15 . 1 1 4 4 PRO C C 4 177.504 177.504 177.551 -0.047 18833 7348 1 15 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.232 0.280 18833 7349 1 15 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.489 0.181 18833 7350 1 15 . 1 1 5 5 GLY N N 5 113.652 113.652 112.848 0.804 18833 7351 1 15 . 1 1 5 5 GLY C C 5 174.146 174.146 174.021 0.125 18833 7352 1 15 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.873 0.199 18833 7353 1 15 . 1 1 5 5 GLY H H 5 9.014 9.014 8.631 0.383 18833 7354 1 15 . 1 1 6 6 ASP N N 6 121.766 121.766 121.298 0.468 18833 7355 1 15 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.859 -0.188 18833 7356 1 15 . 1 1 6 6 ASP C C 6 175.762 175.762 175.257 0.505 18833 7357 1 15 . 1 1 6 6 ASP CA C 6 54.899 54.899 54.301 0.598 18833 7358 1 15 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.801 -1.395 18833 7359 1 15 . 1 1 6 6 ASP H H 6 8.489 8.489 8.097 0.392 18833 7360 1 15 . 1 1 7 7 ILE N N 7 121.794 121.794 121.903 -0.109 18833 7361 1 15 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.665 0.668 18833 7362 1 15 . 1 1 7 7 ILE C C 7 176.854 176.854 175.846 1.008 18833 7363 1 15 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.362 -0.730 18833 7364 1 15 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.414 -1.199 18833 7365 1 15 . 1 1 7 7 ILE H H 7 8.368 8.368 8.539 -0.171 18833 7366 1 15 . 1 1 8 8 PHE N N 8 125.873 125.873 125.470 0.403 18833 7367 1 15 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.026 0.038 18833 7368 1 15 . 1 1 8 8 PHE C C 8 171.167 171.167 173.187 -2.020 18833 7369 1 15 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.191 0.359 18833 7370 1 15 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.565 -0.232 18833 7371 1 15 . 1 1 8 8 PHE H H 8 9.498 9.498 8.735 0.763 18833 7372 1 15 . 1 1 9 9 GLU N N 9 119.065 119.065 120.849 -1.784 18833 7373 1 15 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.737 0.478 18833 7374 1 15 . 1 1 9 9 GLU C C 9 176.019 176.019 175.762 0.257 18833 7375 1 15 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.058 -1.069 18833 7376 1 15 . 1 1 9 9 GLU CB C 9 33.411 33.411 32.038 1.373 18833 7377 1 15 . 1 1 9 9 GLU H H 9 8.502 8.502 8.459 0.043 18833 7378 1 15 . 1 1 10 10 VAL N N 10 120.078 120.078 123.362 -3.284 18833 7379 1 15 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.328 -0.193 18833 7380 1 15 . 1 1 10 10 VAL C C 10 173.177 173.177 173.973 -0.796 18833 7381 1 15 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.856 0.257 18833 7382 1 15 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.234 1.547 18833 7383 1 15 . 1 1 10 10 VAL H H 10 8.581 8.581 8.977 -0.396 18833 7384 1 15 . 1 1 11 11 GLU N N 11 126.482 126.482 126.730 -0.248 18833 7385 1 15 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.068 -0.069 18833 7386 1 15 . 1 1 11 11 GLU C C 11 174.618 174.618 175.149 -0.531 18833 7387 1 15 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.597 0.217 18833 7388 1 15 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.598 0.410 18833 7389 1 15 . 1 1 11 11 GLU H H 11 7.810 7.810 8.543 -0.733 18833 7390 1 15 . 1 1 12 12 LEU N N 12 126.093 126.093 126.647 -0.554 18833 7391 1 15 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.667 -0.013 18833 7392 1 15 . 1 1 12 12 LEU C C 12 174.013 174.013 174.533 -0.520 18833 7393 1 15 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.629 -0.455 18833 7394 1 15 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.741 2.125 18833 7395 1 15 . 1 1 12 12 LEU H H 12 8.888 8.888 8.762 0.126 18833 7396 1 15 . 1 1 13 13 ALA N N 13 126.137 126.137 127.709 -1.572 18833 7397 1 15 . 1 1 13 13 ALA HA H 13 5.101 5.101 5.264 -0.163 18833 7398 1 15 . 1 1 13 13 ALA C C 13 177.290 177.290 175.605 1.685 18833 7399 1 15 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.879 -0.996 18833 7400 1 15 . 1 1 13 13 ALA CB C 13 19.409 19.409 22.114 -2.705 18833 7401 1 15 . 1 1 13 13 ALA H H 13 8.494 8.494 8.445 0.049 18833 7402 1 15 . 1 1 14 14 LYS N N 14 120.270 120.270 121.634 -1.364 18833 7403 1 15 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.527 -0.729 18833 7404 1 15 . 1 1 14 14 LYS C C 14 176.313 176.313 176.304 0.009 18833 7405 1 15 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.832 1.966 18833 7406 1 15 . 1 1 14 14 LYS CB C 14 33.913 33.913 34.792 -0.879 18833 7407 1 15 . 1 1 14 14 LYS H H 14 8.486 8.486 8.560 -0.074 18833 7408 1 15 . 1 1 15 15 ASN N N 15 117.746 117.746 115.182 2.564 18833 7409 1 15 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.658 0.166 18833 7410 1 15 . 1 1 15 15 ASN CA C 15 52.779 52.779 52.706 0.073 18833 7411 1 15 . 1 1 15 15 ASN CB C 15 40.122 40.122 39.385 0.737 18833 7412 1 15 . 1 1 15 15 ASN H H 15 8.139 8.139 8.094 0.045 18833 7413 1 15 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.697 -0.396 18833 7414 1 15 . 1 1 16 16 ASP C C 16 175.367 175.367 175.324 0.043 18833 7415 1 15 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.270 1.181 18833 7416 1 15 . 1 1 16 16 ASP CB C 16 39.456 39.456 39.984 -0.528 18833 7417 1 15 . 1 1 17 17 ASN N N 17 111.793 111.793 121.989 -10.196 18833 7418 1 15 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.834 -0.454 18833 7419 1 15 . 1 1 17 17 ASN C C 17 174.599 174.599 174.008 0.591 18833 7420 1 15 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.025 0.768 18833 7421 1 15 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.318 -0.602 18833 7422 1 15 . 1 1 17 17 ASN H H 17 8.698 8.698 8.309 0.389 18833 7423 1 15 . 1 1 18 18 SER N N 18 112.321 112.321 116.489 -4.168 18833 7424 1 15 . 1 1 18 18 SER HA H 18 4.827 4.827 4.706 0.121 18833 7425 1 15 . 1 1 18 18 SER CA C 18 56.795 56.795 57.039 -0.244 18833 7426 1 15 . 1 1 18 18 SER CB C 18 64.855 64.855 65.567 -0.712 18833 7427 1 15 . 1 1 18 18 SER H H 18 7.989 7.989 8.142 -0.153 18833 7428 1 15 . 1 1 19 19 LEU N N 19 127.097 127.097 123.017 4.080 18833 7429 1 15 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.294 -0.128 18833 7430 1 15 . 1 1 19 19 LEU C C 19 177.329 177.329 177.896 -0.567 18833 7431 1 15 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.428 0.085 18833 7432 1 15 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.514 0.805 18833 7433 1 15 . 1 1 19 19 LEU H H 19 9.247 9.247 8.721 0.526 18833 7434 1 15 . 1 1 20 20 GLY N N 20 104.340 104.340 104.662 -0.322 18833 7435 1 15 . 1 1 20 20 GLY C C 20 175.984 175.984 173.740 2.244 18833 7436 1 15 . 1 1 20 20 GLY CA C 20 46.799 46.799 44.978 1.821 18833 7437 1 15 . 1 1 20 20 GLY H H 20 8.664 8.664 8.402 0.262 18833 7438 1 15 . 1 1 21 21 ILE N N 21 115.279 115.279 117.403 -2.124 18833 7439 1 15 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.281 -0.285 18833 7440 1 15 . 1 1 21 21 ILE C C 21 175.972 175.972 175.090 0.882 18833 7441 1 15 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.599 0.181 18833 7442 1 15 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.838 0.784 18833 7443 1 15 . 1 1 21 21 ILE H H 21 7.614 7.614 7.708 -0.094 18833 7444 1 15 . 1 1 22 22 CYS N N 22 122.210 122.210 119.449 2.761 18833 7445 1 15 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.890 0.381 18833 7446 1 15 . 1 1 22 22 CYS C C 22 175.904 175.904 172.772 3.132 18833 7447 1 15 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.785 -5.840 18833 7448 1 15 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.498 3.694 18833 7449 1 15 . 1 1 22 22 CYS H H 22 8.506 8.506 8.500 0.006 18833 7450 1 15 . 1 1 23 23 VAL N N 23 117.739 117.739 115.500 2.239 18833 7451 1 15 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.373 0.094 18833 7452 1 15 . 1 1 23 23 VAL C C 23 173.821 173.821 174.231 -0.410 18833 7453 1 15 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.128 -0.308 18833 7454 1 15 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.437 0.318 18833 7455 1 15 . 1 1 23 23 VAL H H 23 9.203 9.203 8.514 0.689 18833 7456 1 15 . 1 1 24 24 THR N N 24 114.753 114.753 114.369 0.384 18833 7457 1 15 . 1 1 24 24 THR HA H 24 4.649 4.649 4.782 -0.133 18833 7458 1 15 . 1 1 24 24 THR C C 24 171.786 171.786 173.320 -1.534 18833 7459 1 15 . 1 1 24 24 THR CA C 24 59.529 59.529 59.878 -0.349 18833 7460 1 15 . 1 1 24 24 THR CB C 24 70.563 70.563 71.327 -0.764 18833 7461 1 15 . 1 1 24 24 THR H H 24 9.237 9.237 8.912 0.325 18833 7462 1 15 . 1 1 25 25 GLY N N 25 111.927 111.927 110.609 1.318 18833 7463 1 15 . 1 1 25 25 GLY C C 25 174.099 174.099 172.610 1.489 18833 7464 1 15 . 1 1 25 25 GLY CA C 25 44.612 44.612 45.292 -0.680 18833 7465 1 15 . 1 1 25 25 GLY H H 25 8.291 8.291 8.490 -0.199 18833 7466 1 15 . 1 1 26 26 GLY N N 26 107.140 107.140 110.098 -2.958 18833 7467 1 15 . 1 1 26 26 GLY C C 26 176.180 176.180 174.678 1.502 18833 7468 1 15 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.903 -2.100 18833 7469 1 15 . 1 1 26 26 GLY H H 26 7.545 7.545 8.288 -0.743 18833 7470 1 15 . 1 1 27 27 VAL N N 27 116.837 116.837 119.535 -2.698 18833 7471 1 15 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.916 0.210 18833 7472 1 15 . 1 1 27 27 VAL C C 27 175.764 175.764 176.353 -0.589 18833 7473 1 15 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.273 1.522 18833 7474 1 15 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.369 1.614 18833 7475 1 15 . 1 1 27 27 VAL H H 27 8.091 8.091 8.090 0.001 18833 7476 1 15 . 1 1 28 28 ASN N N 28 117.997 117.997 116.966 1.031 18833 7477 1 15 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.443 0.366 18833 7478 1 15 . 1 1 28 28 ASN C C 28 174.860 174.860 174.217 0.643 18833 7479 1 15 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.861 -0.406 18833 7480 1 15 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.179 0.568 18833 7481 1 15 . 1 1 28 28 ASN H H 28 8.795 8.795 8.161 0.634 18833 7482 1 15 . 1 1 29 29 THR N N 29 111.381 111.381 113.545 -2.164 18833 7483 1 15 . 1 1 29 29 THR HA H 29 4.689 4.689 4.573 0.116 18833 7484 1 15 . 1 1 29 29 THR CA C 29 61.526 61.526 59.895 1.631 18833 7485 1 15 . 1 1 29 29 THR CB C 29 70.889 70.889 69.940 0.949 18833 7486 1 15 . 1 1 29 29 THR H H 29 7.858 7.858 8.121 -0.263 18833 7487 1 15 . 1 1 30 30 SER N N 30 114.070 114.070 115.893 -1.823 18833 7488 1 15 . 1 1 30 30 SER HA H 30 4.535 4.535 4.221 0.314 18833 7489 1 15 . 1 1 30 30 SER C C 30 174.879 174.879 173.984 0.895 18833 7490 1 15 . 1 1 30 30 SER CA C 30 58.380 58.380 59.875 -1.495 18833 7491 1 15 . 1 1 30 30 SER CB C 30 63.532 63.532 63.067 0.465 18833 7492 1 15 . 1 1 30 30 SER H H 30 8.433 8.433 8.627 -0.194 18833 7493 1 15 . 1 1 31 31 VAL N N 31 118.337 118.337 115.176 3.161 18833 7494 1 15 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.177 -0.086 18833 7495 1 15 . 1 1 31 31 VAL C C 31 176.528 176.528 176.264 0.264 18833 7496 1 15 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.201 0.944 18833 7497 1 15 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.715 -0.215 18833 7498 1 15 . 1 1 31 31 VAL H H 31 7.588 7.588 7.351 0.237 18833 7499 1 15 . 1 1 32 32 ARG N N 32 124.670 124.670 127.377 -2.707 18833 7500 1 15 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.209 -0.198 18833 7501 1 15 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.551 -0.579 18833 7502 1 15 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.154 -0.579 18833 7503 1 15 . 1 1 32 32 ARG H H 32 8.511 8.511 8.685 -0.174 18833 7504 1 15 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.596 -0.023 18833 7505 1 15 . 1 1 33 33 HIS C C 33 175.064 175.064 175.557 -0.493 18833 7506 1 15 . 1 1 33 33 HIS CA C 33 56.831 56.831 55.294 1.537 18833 7507 1 15 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.684 -0.567 18833 7508 1 15 . 1 1 34 34 GLY N N 34 109.531 109.531 108.004 1.527 18833 7509 1 15 . 1 1 34 34 GLY C C 34 174.582 174.582 174.153 0.429 18833 7510 1 15 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.310 1.271 18833 7511 1 15 . 1 1 34 34 GLY H H 34 8.471 8.471 7.616 0.855 18833 7512 1 15 . 1 1 35 35 GLY N N 35 105.151 105.151 106.779 -1.628 18833 7513 1 15 . 1 1 35 35 GLY C C 35 170.505 170.505 174.230 -3.725 18833 7514 1 15 . 1 1 35 35 GLY CA C 35 44.577 44.577 44.072 0.505 18833 7515 1 15 . 1 1 35 35 GLY H H 35 7.833 7.833 7.790 0.043 18833 7516 1 15 . 1 1 36 36 ILE N N 36 119.676 119.676 125.502 -5.826 18833 7517 1 15 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.543 0.169 18833 7518 1 15 . 1 1 36 36 ILE C C 36 174.641 174.641 175.226 -0.585 18833 7519 1 15 . 1 1 36 36 ILE CA C 36 57.084 57.084 60.253 -3.169 18833 7520 1 15 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.135 -0.403 18833 7521 1 15 . 1 1 36 36 ILE H H 36 8.350 8.350 8.027 0.323 18833 7522 1 15 . 1 1 37 37 TYR N N 37 123.307 123.307 127.813 -4.506 18833 7523 1 15 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.789 0.518 18833 7524 1 15 . 1 1 37 37 TYR C C 37 176.165 176.165 176.141 0.024 18833 7525 1 15 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.281 -1.434 18833 7526 1 15 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.495 1.833 18833 7527 1 15 . 1 1 37 37 TYR H H 37 8.892 8.892 8.876 0.016 18833 7528 1 15 . 1 1 38 38 VAL N N 38 120.580 120.580 121.451 -0.871 18833 7529 1 15 . 1 1 38 38 VAL HA H 38 3.736 3.736 3.969 -0.233 18833 7530 1 15 . 1 1 38 38 VAL C C 38 175.983 175.983 175.981 0.002 18833 7531 1 15 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.963 -0.293 18833 7532 1 15 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.493 0.035 18833 7533 1 15 . 1 1 38 38 VAL H H 38 9.365 9.365 8.880 0.485 18833 7534 1 15 . 1 1 39 39 LYS N N 39 133.297 133.297 128.023 5.274 18833 7535 1 15 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.497 -0.112 18833 7536 1 15 . 1 1 39 39 LYS C C 39 174.520 174.520 175.263 -0.743 18833 7537 1 15 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.584 -0.075 18833 7538 1 15 . 1 1 39 39 LYS CB C 39 34.634 34.634 35.370 -0.736 18833 7539 1 15 . 1 1 39 39 LYS H H 39 9.560 9.560 8.745 0.815 18833 7540 1 15 . 1 1 40 40 ALA N N 40 118.155 118.155 121.545 -3.390 18833 7541 1 15 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.708 -0.203 18833 7542 1 15 . 1 1 40 40 ALA C C 40 174.639 174.639 175.239 -0.600 18833 7543 1 15 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.151 0.644 18833 7544 1 15 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.529 0.951 18833 7545 1 15 . 1 1 40 40 ALA H H 40 7.498 7.498 7.587 -0.089 18833 7546 1 15 . 1 1 41 41 VAL N N 41 121.634 121.634 122.696 -1.062 18833 7547 1 15 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.323 0.086 18833 7548 1 15 . 1 1 41 41 VAL C C 41 175.829 175.829 175.808 0.021 18833 7549 1 15 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.766 0.538 18833 7550 1 15 . 1 1 41 41 VAL CB C 41 32.195 32.195 33.570 -1.375 18833 7551 1 15 . 1 1 41 41 VAL H H 41 8.634 8.634 8.383 0.251 18833 7552 1 15 . 1 1 42 42 ILE N N 42 128.094 128.094 129.670 -1.576 18833 7553 1 15 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.219 -0.073 18833 7554 1 15 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.743 -1.097 18833 7555 1 15 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.488 -0.483 18833 7556 1 15 . 1 1 42 42 ILE H H 42 7.944 7.944 8.579 -0.635 18833 7557 1 15 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.628 -0.177 18833 7558 1 15 . 1 1 43 43 PRO C C 43 177.234 177.234 176.518 0.716 18833 7559 1 15 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.394 0.803 18833 7560 1 15 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.390 0.455 18833 7561 1 15 . 1 1 44 44 GLN N N 44 116.825 116.825 115.657 1.168 18833 7562 1 15 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.967 -0.118 18833 7563 1 15 . 1 1 44 44 GLN C C 44 175.752 175.752 175.347 0.405 18833 7564 1 15 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.810 1.322 18833 7565 1 15 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.132 0.342 18833 7566 1 15 . 1 1 44 44 GLN H H 44 9.345 9.345 9.138 0.207 18833 7567 1 15 . 1 1 45 45 GLY N N 45 106.186 106.186 104.940 1.246 18833 7568 1 15 . 1 1 45 45 GLY C C 45 174.374 174.374 173.990 0.384 18833 7569 1 15 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.035 0.689 18833 7570 1 15 . 1 1 45 45 GLY H H 45 7.887 7.887 7.824 0.063 18833 7571 1 15 . 1 1 46 46 ALA N N 46 120.843 120.843 121.536 -0.693 18833 7572 1 15 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.457 -0.398 18833 7573 1 15 . 1 1 46 46 ALA C C 46 180.628 180.628 179.368 1.260 18833 7574 1 15 . 1 1 46 46 ALA CA C 46 55.035 55.035 54.422 0.613 18833 7575 1 15 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.999 -0.377 18833 7576 1 15 . 1 1 46 46 ALA H H 46 8.907 8.907 8.419 0.488 18833 7577 1 15 . 1 1 47 47 ALA N N 47 118.721 118.721 121.609 -2.888 18833 7578 1 15 . 1 1 47 47 ALA HA H 47 4.071 4.071 4.028 0.043 18833 7579 1 15 . 1 1 47 47 ALA C C 47 180.589 180.589 179.084 1.505 18833 7580 1 15 . 1 1 47 47 ALA CA C 47 54.846 54.846 54.877 -0.030 18833 7581 1 15 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.064 0.705 18833 7582 1 15 . 1 1 47 47 ALA H H 47 7.856 7.856 8.210 -0.354 18833 7583 1 15 . 1 1 48 48 GLU N N 48 124.373 124.373 119.579 4.794 18833 7584 1 15 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.912 -0.103 18833 7585 1 15 . 1 1 48 48 GLU C C 48 178.120 178.120 178.819 -0.699 18833 7586 1 15 . 1 1 48 48 GLU CA C 48 59.857 59.857 59.080 0.777 18833 7587 1 15 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.636 -0.017 18833 7588 1 15 . 1 1 48 48 GLU H H 48 9.195 9.195 8.652 0.543 18833 7589 1 15 . 1 1 49 49 SER N N 49 113.220 113.220 113.506 -0.286 18833 7590 1 15 . 1 1 49 49 SER HA H 49 4.099 4.099 4.201 -0.102 18833 7591 1 15 . 1 1 49 49 SER C C 49 175.707 175.707 176.703 -0.996 18833 7592 1 15 . 1 1 49 49 SER CA C 49 61.168 61.168 60.445 0.723 18833 7593 1 15 . 1 1 49 49 SER CB C 49 62.775 62.775 63.269 -0.494 18833 7594 1 15 . 1 1 49 49 SER H H 49 8.020 8.020 7.951 0.069 18833 7595 1 15 . 1 1 50 50 ASP N N 50 120.022 120.022 121.429 -1.407 18833 7596 1 15 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.441 -0.061 18833 7597 1 15 . 1 1 50 50 ASP C C 50 177.650 177.650 177.466 0.184 18833 7598 1 15 . 1 1 50 50 ASP CA C 50 57.197 57.197 56.007 1.190 18833 7599 1 15 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.522 2.713 18833 7600 1 15 . 1 1 50 50 ASP H H 50 7.579 7.579 7.612 -0.033 18833 7601 1 15 . 1 1 51 51 GLY N N 51 102.979 102.979 106.120 -3.141 18833 7602 1 15 . 1 1 51 51 GLY C C 51 175.026 175.026 175.310 -0.284 18833 7603 1 15 . 1 1 51 51 GLY CA C 51 46.346 46.346 46.175 0.171 18833 7604 1 15 . 1 1 51 51 GLY H H 51 7.364 7.364 8.351 -0.987 18833 7605 1 15 . 1 1 52 52 ARG N N 52 117.501 117.501 119.524 -2.023 18833 7606 1 15 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.159 0.149 18833 7607 1 15 . 1 1 52 52 ARG C C 52 175.898 175.898 176.021 -0.123 18833 7608 1 15 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.509 0.395 18833 7609 1 15 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.678 2.321 18833 7610 1 15 . 1 1 52 52 ARG H H 52 7.958 7.958 7.717 0.241 18833 7611 1 15 . 1 1 53 53 ILE N N 53 120.028 120.028 117.743 2.285 18833 7612 1 15 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.433 -0.201 18833 7613 1 15 . 1 1 53 53 ILE C C 53 173.773 173.773 174.911 -1.138 18833 7614 1 15 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.879 0.550 18833 7615 1 15 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.750 0.949 18833 7616 1 15 . 1 1 53 53 ILE H H 53 8.223 8.223 7.480 0.743 18833 7617 1 15 . 1 1 54 54 HIS N N 54 123.681 123.681 124.629 -0.948 18833 7618 1 15 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.841 -0.040 18833 7619 1 15 . 1 1 54 54 HIS C C 54 173.826 173.826 174.083 -0.257 18833 7620 1 15 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.739 0.146 18833 7621 1 15 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.856 -0.357 18833 7622 1 15 . 1 1 54 54 HIS H H 54 9.073 9.073 9.519 -0.446 18833 7623 1 15 . 1 1 55 55 LYS N N 55 120.814 120.814 120.229 0.585 18833 7624 1 15 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.078 -0.468 18833 7625 1 15 . 1 1 55 55 LYS C C 55 177.014 177.014 177.505 -0.491 18833 7626 1 15 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.536 0.897 18833 7627 1 15 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.996 0.364 18833 7628 1 15 . 1 1 55 55 LYS H H 55 8.715 8.715 8.663 0.052 18833 7629 1 15 . 1 1 56 56 GLY N N 56 114.423 114.423 114.690 -0.267 18833 7630 1 15 . 1 1 56 56 GLY C C 56 174.469 174.469 173.915 0.554 18833 7631 1 15 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.856 -0.018 18833 7632 1 15 . 1 1 56 56 GLY H H 56 9.128 9.128 8.906 0.222 18833 7633 1 15 . 1 1 57 57 ASP N N 57 121.735 121.735 123.503 -1.768 18833 7634 1 15 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.838 0.045 18833 7635 1 15 . 1 1 57 57 ASP C C 57 174.808 174.808 174.742 0.066 18833 7636 1 15 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.428 0.399 18833 7637 1 15 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.759 -0.704 18833 7638 1 15 . 1 1 57 57 ASP H H 57 8.033 8.033 7.699 0.334 18833 7639 1 15 . 1 1 58 58 ARG N N 58 123.530 123.530 121.639 1.891 18833 7640 1 15 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.768 -0.130 18833 7641 1 15 . 1 1 58 58 ARG C C 58 175.641 175.641 174.247 1.394 18833 7642 1 15 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.282 0.418 18833 7643 1 15 . 1 1 58 58 ARG CB C 58 33.631 33.631 32.811 0.820 18833 7644 1 15 . 1 1 58 58 ARG H H 58 9.097 9.097 7.924 1.173 18833 7645 1 15 . 1 1 59 59 VAL N N 59 126.202 126.202 124.764 1.438 18833 7646 1 15 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.459 -0.554 18833 7647 1 15 . 1 1 59 59 VAL C C 59 174.515 174.515 175.197 -0.682 18833 7648 1 15 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.859 0.293 18833 7649 1 15 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.701 -1.627 18833 7650 1 15 . 1 1 59 59 VAL H H 59 8.898 8.898 8.856 0.042 18833 7651 1 15 . 1 1 60 60 LEU N N 60 127.209 127.209 120.489 6.720 18833 7652 1 15 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.751 -0.431 18833 7653 1 15 . 1 1 60 60 LEU C C 60 178.352 178.352 176.169 2.183 18833 7654 1 15 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.682 1.478 18833 7655 1 15 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.193 -0.568 18833 7656 1 15 . 1 1 60 60 LEU H H 60 9.193 9.193 8.714 0.479 18833 7657 1 15 . 1 1 61 61 ALA N N 61 118.965 118.965 120.359 -1.394 18833 7658 1 15 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.365 -0.426 18833 7659 1 15 . 1 1 61 61 ALA C C 61 175.332 175.332 175.411 -0.079 18833 7660 1 15 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.339 1.953 18833 7661 1 15 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.838 -0.752 18833 7662 1 15 . 1 1 61 61 ALA H H 61 7.759 7.759 7.485 0.274 18833 7663 1 15 . 1 1 62 62 VAL N N 62 119.695 119.695 119.377 0.318 18833 7664 1 15 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.658 -0.174 18833 7665 1 15 . 1 1 62 62 VAL C C 62 175.538 175.538 176.050 -0.512 18833 7666 1 15 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.518 -0.981 18833 7667 1 15 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.709 -0.748 18833 7668 1 15 . 1 1 62 62 VAL H H 62 8.218 8.218 8.483 -0.265 18833 7669 1 15 . 1 1 63 63 ASN N N 63 128.940 128.940 127.807 1.133 18833 7670 1 15 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.402 0.169 18833 7671 1 15 . 1 1 63 63 ASN C C 63 175.155 175.155 175.618 -0.463 18833 7672 1 15 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.344 0.115 18833 7673 1 15 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.281 -1.362 18833 7674 1 15 . 1 1 63 63 ASN H H 63 10.387 10.387 9.568 0.819 18833 7675 1 15 . 1 1 64 64 GLY N N 64 103.432 103.432 102.496 0.936 18833 7676 1 15 . 1 1 64 64 GLY C C 64 173.902 173.902 173.996 -0.094 18833 7677 1 15 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.255 -0.058 18833 7678 1 15 . 1 1 64 64 GLY H H 64 9.094 9.094 8.702 0.392 18833 7679 1 15 . 1 1 65 65 VAL N N 65 123.418 123.418 121.520 1.898 18833 7680 1 15 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.228 -0.252 18833 7681 1 15 . 1 1 65 65 VAL C C 65 175.675 175.675 175.406 0.269 18833 7682 1 15 . 1 1 65 65 VAL CA C 65 62.062 62.062 60.844 1.218 18833 7683 1 15 . 1 1 65 65 VAL CB C 65 31.829 31.829 33.353 -1.524 18833 7684 1 15 . 1 1 65 65 VAL H H 65 7.948 7.948 7.789 0.159 18833 7685 1 15 . 1 1 66 66 SER N N 66 121.122 121.122 124.216 -3.094 18833 7686 1 15 . 1 1 66 66 SER HA H 66 4.365 4.365 4.363 0.002 18833 7687 1 15 . 1 1 66 66 SER C C 66 176.402 176.402 174.197 2.205 18833 7688 1 15 . 1 1 66 66 SER CA C 66 58.310 58.310 59.300 -0.990 18833 7689 1 15 . 1 1 66 66 SER CB C 66 63.651 63.651 63.254 0.397 18833 7690 1 15 . 1 1 66 66 SER H H 66 8.671 8.671 8.781 -0.110 18833 7691 1 15 . 1 1 67 67 LEU N N 67 125.351 125.351 125.693 -0.342 18833 7692 1 15 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.460 -0.020 18833 7693 1 15 . 1 1 67 67 LEU C C 67 176.359 176.359 176.942 -0.583 18833 7694 1 15 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.118 -0.251 18833 7695 1 15 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.469 -0.488 18833 7696 1 15 . 1 1 67 67 LEU H H 67 8.205 8.205 8.521 -0.316 18833 7697 1 15 . 1 1 68 68 GLU N N 68 123.211 123.211 119.317 3.894 18833 7698 1 15 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.098 -0.052 18833 7699 1 15 . 1 1 68 68 GLU C C 68 177.820 177.820 177.655 0.165 18833 7700 1 15 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.732 0.803 18833 7701 1 15 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.545 -0.465 18833 7702 1 15 . 1 1 68 68 GLU H H 68 8.300 8.300 7.716 0.584 18833 7703 1 15 . 1 1 69 69 GLY N N 69 115.507 115.507 111.922 3.585 18833 7704 1 15 . 1 1 69 69 GLY C C 69 173.652 173.652 174.404 -0.752 18833 7705 1 15 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.103 0.243 18833 7706 1 15 . 1 1 69 69 GLY H H 69 8.945 8.945 8.984 -0.039 18833 7707 1 15 . 1 1 70 70 ALA N N 70 122.308 122.308 124.132 -1.824 18833 7708 1 15 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.399 0.091 18833 7709 1 15 . 1 1 70 70 ALA C C 70 179.583 179.583 176.479 3.104 18833 7710 1 15 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.947 0.537 18833 7711 1 15 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.562 0.026 18833 7712 1 15 . 1 1 70 70 ALA H H 70 7.882 7.882 7.408 0.474 18833 7713 1 15 . 1 1 71 71 THR N N 71 111.173 111.173 109.383 1.790 18833 7714 1 15 . 1 1 71 71 THR HA H 71 4.526 4.526 4.375 0.151 18833 7715 1 15 . 1 1 71 71 THR C C 71 174.660 174.660 175.822 -1.162 18833 7716 1 15 . 1 1 71 71 THR CA C 71 60.732 60.732 60.866 -0.134 18833 7717 1 15 . 1 1 71 71 THR CB C 71 71.196 71.196 70.707 0.489 18833 7718 1 15 . 1 1 71 71 THR H H 71 8.185 8.185 8.068 0.117 18833 7719 1 15 . 1 1 72 72 HIS N N 72 121.107 121.107 120.759 0.348 18833 7720 1 15 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.482 -0.481 18833 7721 1 15 . 1 1 72 72 HIS C C 72 176.702 176.702 177.230 -0.528 18833 7722 1 15 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.309 2.143 18833 7723 1 15 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.264 1.045 18833 7724 1 15 . 1 1 72 72 HIS H H 72 9.077 9.077 8.779 0.298 18833 7725 1 15 . 1 1 73 73 LYS N N 73 116.672 116.672 119.094 -2.422 18833 7726 1 15 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.643 0.113 18833 7727 1 15 . 1 1 73 73 LYS C C 73 178.603 178.603 178.894 -0.291 18833 7728 1 15 . 1 1 73 73 LYS CA C 73 60.022 60.022 60.062 -0.040 18833 7729 1 15 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.732 0.728 18833 7730 1 15 . 1 1 73 73 LYS H H 73 8.473 8.473 7.701 0.772 18833 7731 1 15 . 1 1 74 74 GLN N N 74 116.558 116.558 117.710 -1.152 18833 7732 1 15 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.073 -0.141 18833 7733 1 15 . 1 1 74 74 GLN C C 74 179.891 179.891 178.560 1.331 18833 7734 1 15 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.234 0.337 18833 7735 1 15 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.210 0.115 18833 7736 1 15 . 1 1 74 74 GLN H H 74 7.568 7.568 7.596 -0.028 18833 7737 1 15 . 1 1 75 75 ALA N N 75 123.337 123.337 123.110 0.227 18833 7738 1 15 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.025 -0.231 18833 7739 1 15 . 1 1 75 75 ALA C C 75 178.309 178.309 179.610 -1.301 18833 7740 1 15 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.221 0.447 18833 7741 1 15 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.328 1.040 18833 7742 1 15 . 1 1 75 75 ALA H H 75 8.320 8.320 8.269 0.051 18833 7743 1 15 . 1 1 76 76 VAL N N 76 118.172 118.172 118.324 -0.152 18833 7744 1 15 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.721 -0.534 18833 7745 1 15 . 1 1 76 76 VAL C C 76 179.705 179.705 177.327 2.378 18833 7746 1 15 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.803 0.349 18833 7747 1 15 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.571 -0.396 18833 7748 1 15 . 1 1 76 76 VAL H H 76 8.122 8.122 7.921 0.201 18833 7749 1 15 . 1 1 77 77 CYS N N 77 116.979 116.979 118.604 -1.625 18833 7750 1 15 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.026 0.175 18833 7751 1 15 . 1 1 77 77 CYS C C 77 177.004 177.004 177.336 -0.332 18833 7752 1 15 . 1 1 77 77 CYS CA C 77 61.892 61.892 62.827 -0.935 18833 7753 1 15 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.517 11.026 18833 7754 1 15 . 1 1 77 77 CYS H H 77 8.327 8.327 8.305 0.022 18833 7755 1 15 . 1 1 78 78 THR N N 78 117.521 117.521 116.347 1.174 18833 7756 1 15 . 1 1 78 78 THR HA H 78 3.867 3.867 3.984 -0.117 18833 7757 1 15 . 1 1 78 78 THR C C 78 176.306 176.306 176.952 -0.646 18833 7758 1 15 . 1 1 78 78 THR CA C 78 67.197 67.197 66.578 0.619 18833 7759 1 15 . 1 1 78 78 THR CB C 78 68.145 68.145 68.560 -0.415 18833 7760 1 15 . 1 1 78 78 THR H H 78 8.259 8.259 7.914 0.345 18833 7761 1 15 . 1 1 79 79 LEU N N 79 119.714 119.714 123.015 -3.301 18833 7762 1 15 . 1 1 79 79 LEU HA H 79 3.836 3.836 4.018 -0.182 18833 7763 1 15 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.820 0.130 18833 7764 1 15 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.395 0.233 18833 7765 1 15 . 1 1 79 79 LEU H H 79 7.748 7.748 7.514 0.234 18833 7766 1 15 . 1 1 80 80 ARG N N 80 119.613 119.613 118.486 1.127 18833 7767 1 15 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.983 0.132 18833 7768 1 15 . 1 1 80 80 ARG C C 80 177.905 177.905 177.150 0.755 18833 7769 1 15 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.999 -0.537 18833 7770 1 15 . 1 1 80 80 ARG CB C 80 30.770 30.770 30.074 0.696 18833 7771 1 15 . 1 1 80 80 ARG H H 80 7.944 7.944 8.078 -0.134 18833 7772 1 15 . 1 1 81 81 ASN N N 81 119.257 119.257 116.156 3.101 18833 7773 1 15 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.928 0.033 18833 7774 1 15 . 1 1 81 81 ASN C C 81 175.030 175.030 175.066 -0.036 18833 7775 1 15 . 1 1 81 81 ASN CA C 81 52.806 52.806 52.891 -0.085 18833 7776 1 15 . 1 1 81 81 ASN CB C 81 37.454 37.454 40.542 -3.088 18833 7777 1 15 . 1 1 81 81 ASN H H 81 7.843 7.843 7.905 -0.062 18833 7778 1 15 . 1 1 82 82 THR N N 82 109.817 109.817 114.395 -4.578 18833 7779 1 15 . 1 1 82 82 THR HA H 82 4.391 4.391 4.524 -0.133 18833 7780 1 15 . 1 1 82 82 THR C C 82 175.114 175.114 174.962 0.152 18833 7781 1 15 . 1 1 82 82 THR CA C 82 60.155 60.155 61.606 -1.451 18833 7782 1 15 . 1 1 82 82 THR CB C 82 72.327 72.327 70.208 2.119 18833 7783 1 15 . 1 1 82 82 THR H H 82 7.514 7.514 7.712 -0.198 18833 7784 1 15 . 1 1 83 83 GLY N N 83 109.536 109.536 107.616 1.920 18833 7785 1 15 . 1 1 83 83 GLY C C 83 173.492 173.492 174.836 -1.344 18833 7786 1 15 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.228 -0.102 18833 7787 1 15 . 1 1 83 83 GLY H H 83 8.406 8.406 8.396 0.010 18833 7788 1 15 . 1 1 84 84 GLN N N 84 117.293 117.293 116.960 0.333 18833 7789 1 15 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.310 -0.342 18833 7790 1 15 . 1 1 84 84 GLN C C 84 175.351 175.351 175.377 -0.026 18833 7791 1 15 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.159 1.353 18833 7792 1 15 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.416 -0.393 18833 7793 1 15 . 1 1 84 84 GLN H H 84 8.218 8.218 8.391 -0.173 18833 7794 1 15 . 1 1 85 85 VAL N N 85 116.238 116.238 118.577 -2.339 18833 7795 1 15 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.858 -0.166 18833 7796 1 15 . 1 1 85 85 VAL C C 85 175.864 175.864 175.370 0.494 18833 7797 1 15 . 1 1 85 85 VAL CA C 85 61.342 61.342 60.860 0.482 18833 7798 1 15 . 1 1 85 85 VAL CB C 85 33.374 33.374 34.336 -0.962 18833 7799 1 15 . 1 1 85 85 VAL H H 85 7.715 7.715 7.563 0.152 18833 7800 1 15 . 1 1 86 86 VAL N N 86 128.273 128.273 124.934 3.339 18833 7801 1 15 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.475 0.049 18833 7802 1 15 . 1 1 86 86 VAL C C 86 173.320 173.320 174.511 -1.191 18833 7803 1 15 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.427 0.359 18833 7804 1 15 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.886 -0.781 18833 7805 1 15 . 1 1 86 86 VAL H H 86 9.034 9.034 9.040 -0.006 18833 7806 1 15 . 1 1 87 87 HIS N N 87 126.224 126.224 126.150 0.074 18833 7807 1 15 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.701 0.336 18833 7808 1 15 . 1 1 87 87 HIS C C 87 174.442 174.442 174.158 0.284 18833 7809 1 15 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.472 0.286 18833 7810 1 15 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.823 1.678 18833 7811 1 15 . 1 1 87 87 HIS H H 87 8.761 8.761 8.797 -0.036 18833 7812 1 15 . 1 1 88 88 LEU N N 88 126.604 126.604 127.526 -0.922 18833 7813 1 15 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.791 0.178 18833 7814 1 15 . 1 1 88 88 LEU C C 88 173.306 173.306 174.322 -1.016 18833 7815 1 15 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.406 0.243 18833 7816 1 15 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.284 0.004 18833 7817 1 15 . 1 1 88 88 LEU H H 88 9.045 9.045 9.001 0.044 18833 7818 1 15 . 1 1 89 89 LEU N N 89 124.501 124.501 124.453 0.048 18833 7819 1 15 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.669 0.052 18833 7820 1 15 . 1 1 89 89 LEU C C 89 175.180 175.180 174.239 0.941 18833 7821 1 15 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.416 0.321 18833 7822 1 15 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.637 0.729 18833 7823 1 15 . 1 1 89 89 LEU H H 89 7.977 7.977 8.572 -0.595 18833 7824 1 15 . 1 1 90 90 LEU N N 90 127.520 127.520 126.254 1.266 18833 7825 1 15 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.981 0.308 18833 7826 1 15 . 1 1 90 90 LEU C C 90 173.616 173.616 174.459 -0.843 18833 7827 1 15 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.587 0.568 18833 7828 1 15 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.253 -0.233 18833 7829 1 15 . 1 1 90 90 LEU H H 90 8.896 8.896 8.658 0.238 18833 7830 1 15 . 1 1 91 91 GLU N N 91 118.964 118.964 120.336 -1.372 18833 7831 1 15 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.074 0.012 18833 7832 1 15 . 1 1 91 91 GLU C C 91 176.652 176.652 175.890 0.762 18833 7833 1 15 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.210 -0.392 18833 7834 1 15 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.641 0.265 18833 7835 1 15 . 1 1 91 91 GLU H H 91 8.825 8.825 8.591 0.234 18833 7836 1 15 . 1 1 92 92 LYS N N 92 128.805 128.805 125.809 2.996 18833 7837 1 15 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.569 -0.200 18833 7838 1 15 . 1 1 92 92 LYS C C 92 178.011 178.011 176.948 1.063 18833 7839 1 15 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.024 -0.684 18833 7840 1 15 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.156 -1.087 18833 7841 1 15 . 1 1 92 92 LYS H H 92 9.333 9.333 8.846 0.487 18833 7842 1 15 . 1 1 93 93 GLY N N 93 117.774 117.774 107.936 9.838 18833 7843 1 15 . 1 1 93 93 GLY C C 93 173.157 173.157 172.978 0.179 18833 7844 1 15 . 1 1 93 93 GLY CA C 93 45.175 45.175 43.212 1.963 18833 7845 1 15 . 1 1 93 93 GLY H H 93 9.735 9.735 8.656 1.079 18833 7846 1 15 . 1 1 94 94 GLN N N 94 116.912 116.912 119.623 -2.711 18833 7847 1 15 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.164 0.100 18833 7848 1 15 . 1 1 94 94 GLN C C 94 175.955 175.955 175.436 0.519 18833 7849 1 15 . 1 1 94 94 GLN CA C 94 55.501 55.501 56.923 -1.422 18833 7850 1 15 . 1 1 94 94 GLN CB C 94 29.718 29.718 28.580 1.138 18833 7851 1 15 . 1 1 94 94 GLN H H 94 8.243 8.243 8.666 -0.423 18833 7852 1 15 . 1 1 95 95 SER N N 95 118.157 118.157 121.442 -3.285 18833 7853 1 15 . 1 1 95 95 SER HA H 95 4.662 4.662 4.941 -0.279 18833 7854 1 15 . 1 1 95 95 SER CA C 95 56.615 56.615 55.516 1.099 18833 7855 1 15 . 1 1 95 95 SER CB C 95 63.203 63.203 64.626 -1.423 18833 7856 1 15 . 1 1 95 95 SER H H 95 8.396 8.396 8.361 0.035 18833 7857 1 15 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.399 0.078 18833 7858 1 15 . 1 1 96 96 PRO C C 96 176.303 176.303 176.188 0.115 18833 7859 1 15 . 1 1 96 96 PRO CA C 96 63.514 63.514 64.599 -1.085 18833 7860 1 15 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.057 -0.128 18833 7861 1 16 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.495 -0.023 18833 7862 1 16 . 1 1 2 2 PRO C C 2 175.867 175.867 176.496 -0.629 18833 7863 1 16 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.304 0.536 18833 7864 1 16 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.547 -0.234 18833 7865 1 16 . 1 1 3 3 LYS N N 3 124.698 124.698 120.585 4.113 18833 7866 1 16 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.492 0.115 18833 7867 1 16 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.199 -0.592 18833 7868 1 16 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.391 -0.804 18833 7869 1 16 . 1 1 3 3 LYS H H 3 8.933 8.933 8.282 0.651 18833 7870 1 16 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.267 -0.326 18833 7871 1 16 . 1 1 4 4 PRO C C 4 177.504 177.504 177.473 0.031 18833 7872 1 16 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.951 0.561 18833 7873 1 16 . 1 1 4 4 PRO CB C 4 31.670 31.670 30.943 0.727 18833 7874 1 16 . 1 1 5 5 GLY N N 5 113.652 113.652 113.177 0.475 18833 7875 1 16 . 1 1 5 5 GLY C C 5 174.146 174.146 173.670 0.476 18833 7876 1 16 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.838 0.234 18833 7877 1 16 . 1 1 5 5 GLY H H 5 9.014 9.014 8.171 0.843 18833 7878 1 16 . 1 1 6 6 ASP N N 6 121.766 121.766 120.670 1.096 18833 7879 1 16 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.868 -0.197 18833 7880 1 16 . 1 1 6 6 ASP C C 6 175.762 175.762 175.128 0.634 18833 7881 1 16 . 1 1 6 6 ASP CA C 6 54.899 54.899 52.978 1.921 18833 7882 1 16 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.910 -1.504 18833 7883 1 16 . 1 1 6 6 ASP H H 6 8.489 8.489 7.972 0.517 18833 7884 1 16 . 1 1 7 7 ILE N N 7 121.794 121.794 123.328 -1.534 18833 7885 1 16 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.814 0.519 18833 7886 1 16 . 1 1 7 7 ILE C C 7 176.854 176.854 175.572 1.282 18833 7887 1 16 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.039 -0.408 18833 7888 1 16 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.781 -1.565 18833 7889 1 16 . 1 1 7 7 ILE H H 7 8.368 8.368 8.347 0.021 18833 7890 1 16 . 1 1 8 8 PHE N N 8 125.873 125.873 123.940 1.933 18833 7891 1 16 . 1 1 8 8 PHE HA H 8 5.064 5.064 4.988 0.076 18833 7892 1 16 . 1 1 8 8 PHE C C 8 171.167 171.167 173.335 -2.168 18833 7893 1 16 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.481 0.069 18833 7894 1 16 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.362 -0.029 18833 7895 1 16 . 1 1 8 8 PHE H H 8 9.498 9.498 8.379 1.119 18833 7896 1 16 . 1 1 9 9 GLU N N 9 119.065 119.065 120.880 -1.815 18833 7897 1 16 . 1 1 9 9 GLU HA H 9 5.215 5.215 5.171 0.044 18833 7898 1 16 . 1 1 9 9 GLU C C 9 176.019 176.019 176.001 0.018 18833 7899 1 16 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.260 -1.271 18833 7900 1 16 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.282 2.129 18833 7901 1 16 . 1 1 9 9 GLU H H 9 8.502 8.502 8.646 -0.144 18833 7902 1 16 . 1 1 10 10 VAL N N 10 120.078 120.078 122.472 -2.394 18833 7903 1 16 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.474 -0.339 18833 7904 1 16 . 1 1 10 10 VAL C C 10 173.177 173.177 174.599 -1.422 18833 7905 1 16 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.907 0.206 18833 7906 1 16 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.755 2.026 18833 7907 1 16 . 1 1 10 10 VAL H H 10 8.581 8.581 9.070 -0.489 18833 7908 1 16 . 1 1 11 11 GLU N N 11 126.482 126.482 127.432 -0.950 18833 7909 1 16 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.206 -0.207 18833 7910 1 16 . 1 1 11 11 GLU C C 11 174.618 174.618 174.879 -0.261 18833 7911 1 16 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.556 0.258 18833 7912 1 16 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.765 0.242 18833 7913 1 16 . 1 1 11 11 GLU H H 11 7.810 7.810 8.513 -0.703 18833 7914 1 16 . 1 1 12 12 LEU N N 12 126.093 126.093 126.216 -0.123 18833 7915 1 16 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.665 -0.011 18833 7916 1 16 . 1 1 12 12 LEU C C 12 174.013 174.013 174.855 -0.842 18833 7917 1 16 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.430 -0.256 18833 7918 1 16 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.708 2.158 18833 7919 1 16 . 1 1 12 12 LEU H H 12 8.888 8.888 8.578 0.310 18833 7920 1 16 . 1 1 13 13 ALA N N 13 126.137 126.137 128.499 -2.362 18833 7921 1 16 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.925 0.176 18833 7922 1 16 . 1 1 13 13 ALA C C 13 177.290 177.290 177.316 -0.026 18833 7923 1 16 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.740 -0.857 18833 7924 1 16 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.900 -1.491 18833 7925 1 16 . 1 1 13 13 ALA H H 13 8.494 8.494 8.553 -0.059 18833 7926 1 16 . 1 1 14 14 LYS N N 14 120.270 120.270 121.591 -1.321 18833 7927 1 16 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.528 -0.730 18833 7928 1 16 . 1 1 14 14 LYS C C 14 176.313 176.313 176.492 -0.179 18833 7929 1 16 . 1 1 14 14 LYS CA C 14 57.798 57.798 56.249 1.549 18833 7930 1 16 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.643 2.270 18833 7931 1 16 . 1 1 14 14 LYS H H 14 8.486 8.486 8.282 0.204 18833 7932 1 16 . 1 1 15 15 ASN N N 15 117.746 117.746 118.107 -0.361 18833 7933 1 16 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.604 0.220 18833 7934 1 16 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.690 -2.911 18833 7935 1 16 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.681 1.441 18833 7936 1 16 . 1 1 15 15 ASN H H 15 8.139 8.139 8.125 0.014 18833 7937 1 16 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.453 -0.152 18833 7938 1 16 . 1 1 16 16 ASP C C 16 175.367 175.367 176.167 -0.800 18833 7939 1 16 . 1 1 16 16 ASP CA C 16 55.452 55.452 56.184 -0.733 18833 7940 1 16 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.428 -1.972 18833 7941 1 16 . 1 1 17 17 ASN N N 17 111.793 111.793 113.466 -1.673 18833 7942 1 16 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.822 -0.443 18833 7943 1 16 . 1 1 17 17 ASN C C 17 174.599 174.599 173.788 0.811 18833 7944 1 16 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.425 1.369 18833 7945 1 16 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.469 -1.753 18833 7946 1 16 . 1 1 17 17 ASN H H 17 8.698 8.698 8.171 0.527 18833 7947 1 16 . 1 1 18 18 SER N N 18 112.321 112.321 115.337 -3.016 18833 7948 1 16 . 1 1 18 18 SER HA H 18 4.827 4.827 4.327 0.500 18833 7949 1 16 . 1 1 18 18 SER CA C 18 56.795 56.795 58.481 -1.686 18833 7950 1 16 . 1 1 18 18 SER CB C 18 64.855 64.855 64.228 0.627 18833 7951 1 16 . 1 1 18 18 SER H H 18 7.989 7.989 8.371 -0.383 18833 7952 1 16 . 1 1 19 19 LEU N N 19 127.097 127.097 122.468 4.629 18833 7953 1 16 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.131 0.035 18833 7954 1 16 . 1 1 19 19 LEU C C 19 177.329 177.329 177.411 -0.082 18833 7955 1 16 . 1 1 19 19 LEU CA C 19 56.513 56.513 57.652 -1.139 18833 7956 1 16 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.917 1.402 18833 7957 1 16 . 1 1 19 19 LEU H H 19 9.247 9.247 8.440 0.807 18833 7958 1 16 . 1 1 20 20 GLY N N 20 104.340 104.340 105.099 -0.759 18833 7959 1 16 . 1 1 20 20 GLY C C 20 175.984 175.984 173.207 2.777 18833 7960 1 16 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.453 1.346 18833 7961 1 16 . 1 1 20 20 GLY H H 20 8.664 8.664 8.692 -0.028 18833 7962 1 16 . 1 1 21 21 ILE N N 21 115.279 115.279 117.357 -2.078 18833 7963 1 16 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.094 -0.098 18833 7964 1 16 . 1 1 21 21 ILE C C 21 175.972 175.972 174.648 1.324 18833 7965 1 16 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.312 0.469 18833 7966 1 16 . 1 1 21 21 ILE CB C 21 42.622 42.622 42.849 -0.227 18833 7967 1 16 . 1 1 21 21 ILE H H 21 7.614 7.614 7.573 0.041 18833 7968 1 16 . 1 1 22 22 CYS N N 22 122.210 122.210 119.530 2.680 18833 7969 1 16 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.095 0.176 18833 7970 1 16 . 1 1 22 22 CYS C C 22 175.904 175.904 172.940 2.964 18833 7971 1 16 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.551 -5.606 18833 7972 1 16 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.005 4.187 18833 7973 1 16 . 1 1 22 22 CYS H H 22 8.506 8.506 8.433 0.073 18833 7974 1 16 . 1 1 23 23 VAL N N 23 117.739 117.739 115.387 2.352 18833 7975 1 16 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.378 0.089 18833 7976 1 16 . 1 1 23 23 VAL C C 23 173.821 173.821 174.126 -0.305 18833 7977 1 16 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.083 -0.263 18833 7978 1 16 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.567 0.188 18833 7979 1 16 . 1 1 23 23 VAL H H 23 9.203 9.203 8.500 0.703 18833 7980 1 16 . 1 1 24 24 THR N N 24 114.753 114.753 114.177 0.576 18833 7981 1 16 . 1 1 24 24 THR HA H 24 4.649 4.649 4.691 -0.042 18833 7982 1 16 . 1 1 24 24 THR C C 24 171.786 171.786 173.209 -1.423 18833 7983 1 16 . 1 1 24 24 THR CA C 24 59.529 59.529 59.475 0.054 18833 7984 1 16 . 1 1 24 24 THR CB C 24 70.563 70.563 70.446 0.117 18833 7985 1 16 . 1 1 24 24 THR H H 24 9.237 9.237 8.518 0.719 18833 7986 1 16 . 1 1 25 25 GLY N N 25 111.927 111.927 109.843 2.084 18833 7987 1 16 . 1 1 25 25 GLY C C 25 174.099 174.099 172.896 1.203 18833 7988 1 16 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.565 0.048 18833 7989 1 16 . 1 1 25 25 GLY H H 25 8.291 8.291 8.133 0.158 18833 7990 1 16 . 1 1 26 26 GLY N N 26 107.140 107.140 107.796 -0.656 18833 7991 1 16 . 1 1 26 26 GLY C C 26 176.180 176.180 175.716 0.464 18833 7992 1 16 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.200 -1.397 18833 7993 1 16 . 1 1 26 26 GLY H H 26 7.545 7.545 7.788 -0.243 18833 7994 1 16 . 1 1 27 27 VAL N N 27 116.837 116.837 120.898 -4.061 18833 7995 1 16 . 1 1 27 27 VAL HA H 27 4.126 4.126 4.026 0.100 18833 7996 1 16 . 1 1 27 27 VAL C C 27 175.764 175.764 175.408 0.356 18833 7997 1 16 . 1 1 27 27 VAL CA C 27 63.795 63.795 63.150 0.645 18833 7998 1 16 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.960 1.023 18833 7999 1 16 . 1 1 27 27 VAL H H 27 8.091 8.091 8.497 -0.406 18833 8000 1 16 . 1 1 28 28 ASN N N 28 117.997 117.997 115.681 2.316 18833 8001 1 16 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.502 0.307 18833 8002 1 16 . 1 1 28 28 ASN C C 28 174.860 174.860 174.454 0.406 18833 8003 1 16 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.900 -0.445 18833 8004 1 16 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.604 1.143 18833 8005 1 16 . 1 1 28 28 ASN H H 28 8.795 8.795 8.188 0.607 18833 8006 1 16 . 1 1 29 29 THR N N 29 111.381 111.381 113.869 -2.488 18833 8007 1 16 . 1 1 29 29 THR HA H 29 4.689 4.689 4.503 0.186 18833 8008 1 16 . 1 1 29 29 THR CA C 29 61.526 61.526 60.942 0.584 18833 8009 1 16 . 1 1 29 29 THR CB C 29 70.889 70.889 69.716 1.173 18833 8010 1 16 . 1 1 29 29 THR H H 29 7.858 7.858 8.164 -0.306 18833 8011 1 16 . 1 1 30 30 SER N N 30 114.070 114.070 115.422 -1.352 18833 8012 1 16 . 1 1 30 30 SER HA H 30 4.535 4.535 4.165 0.370 18833 8013 1 16 . 1 1 30 30 SER C C 30 174.879 174.879 174.257 0.622 18833 8014 1 16 . 1 1 30 30 SER CA C 30 58.380 58.380 59.957 -1.577 18833 8015 1 16 . 1 1 30 30 SER CB C 30 63.532 63.532 63.074 0.458 18833 8016 1 16 . 1 1 30 30 SER H H 30 8.433 8.433 8.620 -0.187 18833 8017 1 16 . 1 1 31 31 VAL N N 31 118.337 118.337 115.825 2.512 18833 8018 1 16 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.136 -0.045 18833 8019 1 16 . 1 1 31 31 VAL C C 31 176.528 176.528 176.184 0.344 18833 8020 1 16 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.093 1.052 18833 8021 1 16 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.280 0.220 18833 8022 1 16 . 1 1 31 31 VAL H H 31 7.588 7.588 7.343 0.245 18833 8023 1 16 . 1 1 32 32 ARG N N 32 124.670 124.670 127.653 -2.983 18833 8024 1 16 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.012 -0.001 18833 8025 1 16 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.452 -0.480 18833 8026 1 16 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.249 -0.674 18833 8027 1 16 . 1 1 32 32 ARG H H 32 8.511 8.511 8.712 -0.201 18833 8028 1 16 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.560 0.013 18833 8029 1 16 . 1 1 33 33 HIS C C 33 175.064 175.064 175.631 -0.567 18833 8030 1 16 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.252 0.579 18833 8031 1 16 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.522 -0.404 18833 8032 1 16 . 1 1 34 34 GLY N N 34 109.531 109.531 108.271 1.260 18833 8033 1 16 . 1 1 34 34 GLY C C 34 174.582 174.582 174.726 -0.144 18833 8034 1 16 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.334 1.247 18833 8035 1 16 . 1 1 34 34 GLY H H 34 8.471 8.471 7.566 0.905 18833 8036 1 16 . 1 1 35 35 GLY N N 35 105.151 105.151 107.492 -2.341 18833 8037 1 16 . 1 1 35 35 GLY C C 35 170.505 170.505 174.046 -3.541 18833 8038 1 16 . 1 1 35 35 GLY CA C 35 44.577 44.577 44.281 0.296 18833 8039 1 16 . 1 1 35 35 GLY H H 35 7.833 7.833 7.873 -0.040 18833 8040 1 16 . 1 1 36 36 ILE N N 36 119.676 119.676 123.544 -3.868 18833 8041 1 16 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.725 -0.013 18833 8042 1 16 . 1 1 36 36 ILE C C 36 174.641 174.641 175.286 -0.645 18833 8043 1 16 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.952 -2.868 18833 8044 1 16 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.818 -1.086 18833 8045 1 16 . 1 1 36 36 ILE H H 36 8.350 8.350 8.093 0.257 18833 8046 1 16 . 1 1 37 37 TYR N N 37 123.307 123.307 127.999 -4.692 18833 8047 1 16 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.237 0.070 18833 8048 1 16 . 1 1 37 37 TYR C C 37 176.165 176.165 176.412 -0.247 18833 8049 1 16 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.782 -0.935 18833 8050 1 16 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.154 2.175 18833 8051 1 16 . 1 1 37 37 TYR H H 37 8.892 8.892 8.970 -0.078 18833 8052 1 16 . 1 1 38 38 VAL N N 38 120.580 120.580 122.195 -1.615 18833 8053 1 16 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.017 -0.281 18833 8054 1 16 . 1 1 38 38 VAL C C 38 175.983 175.983 176.438 -0.455 18833 8055 1 16 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.684 -0.014 18833 8056 1 16 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.444 0.084 18833 8057 1 16 . 1 1 38 38 VAL H H 38 9.365 9.365 8.962 0.403 18833 8058 1 16 . 1 1 39 39 LYS N N 39 133.297 133.297 130.238 3.059 18833 8059 1 16 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.513 -0.128 18833 8060 1 16 . 1 1 39 39 LYS C C 39 174.520 174.520 175.296 -0.776 18833 8061 1 16 . 1 1 39 39 LYS CA C 39 56.509 56.509 55.870 0.639 18833 8062 1 16 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.837 -0.203 18833 8063 1 16 . 1 1 39 39 LYS H H 39 9.560 9.560 8.985 0.575 18833 8064 1 16 . 1 1 40 40 ALA N N 40 118.155 118.155 120.959 -2.804 18833 8065 1 16 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.731 -0.226 18833 8066 1 16 . 1 1 40 40 ALA C C 40 174.639 174.639 174.951 -0.312 18833 8067 1 16 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.377 0.418 18833 8068 1 16 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.975 0.505 18833 8069 1 16 . 1 1 40 40 ALA H H 40 7.498 7.498 7.491 0.007 18833 8070 1 16 . 1 1 41 41 VAL N N 41 121.634 121.634 119.833 1.801 18833 8071 1 16 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.718 -0.309 18833 8072 1 16 . 1 1 41 41 VAL C C 41 175.829 175.829 175.177 0.652 18833 8073 1 16 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.028 1.276 18833 8074 1 16 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.642 -3.447 18833 8075 1 16 . 1 1 41 41 VAL H H 41 8.634 8.634 8.341 0.293 18833 8076 1 16 . 1 1 42 42 ILE N N 42 128.094 128.094 126.197 1.897 18833 8077 1 16 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.366 -0.220 18833 8078 1 16 . 1 1 42 42 ILE CA C 42 58.646 58.646 58.130 0.515 18833 8079 1 16 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.569 0.436 18833 8080 1 16 . 1 1 42 42 ILE H H 42 7.944 7.944 8.483 -0.539 18833 8081 1 16 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.464 -0.013 18833 8082 1 16 . 1 1 43 43 PRO C C 43 177.234 177.234 176.614 0.620 18833 8083 1 16 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.319 0.878 18833 8084 1 16 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.220 0.625 18833 8085 1 16 . 1 1 44 44 GLN N N 44 116.825 116.825 116.570 0.255 18833 8086 1 16 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.867 -0.018 18833 8087 1 16 . 1 1 44 44 GLN C C 44 175.752 175.752 175.316 0.436 18833 8088 1 16 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.885 1.247 18833 8089 1 16 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.047 0.427 18833 8090 1 16 . 1 1 44 44 GLN H H 44 9.345 9.345 9.489 -0.144 18833 8091 1 16 . 1 1 45 45 GLY N N 45 106.186 106.186 105.322 0.864 18833 8092 1 16 . 1 1 45 45 GLY C C 45 174.374 174.374 173.998 0.376 18833 8093 1 16 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.099 0.625 18833 8094 1 16 . 1 1 45 45 GLY H H 45 7.887 7.887 8.020 -0.133 18833 8095 1 16 . 1 1 46 46 ALA N N 46 120.843 120.843 123.088 -2.245 18833 8096 1 16 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.976 0.083 18833 8097 1 16 . 1 1 46 46 ALA C C 46 180.628 180.628 179.326 1.302 18833 8098 1 16 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.428 -0.393 18833 8099 1 16 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.799 -0.176 18833 8100 1 16 . 1 1 46 46 ALA H H 46 8.907 8.907 8.028 0.879 18833 8101 1 16 . 1 1 47 47 ALA N N 47 118.721 118.721 120.896 -2.175 18833 8102 1 16 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.927 0.144 18833 8103 1 16 . 1 1 47 47 ALA C C 47 180.589 180.589 179.504 1.085 18833 8104 1 16 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.337 -0.491 18833 8105 1 16 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.838 0.931 18833 8106 1 16 . 1 1 47 47 ALA H H 47 7.856 7.856 8.073 -0.217 18833 8107 1 16 . 1 1 48 48 GLU N N 48 124.373 124.373 119.127 5.246 18833 8108 1 16 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.046 -0.237 18833 8109 1 16 . 1 1 48 48 GLU C C 48 178.120 178.120 179.013 -0.893 18833 8110 1 16 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.927 0.930 18833 8111 1 16 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.563 0.056 18833 8112 1 16 . 1 1 48 48 GLU H H 48 9.195 9.195 8.605 0.590 18833 8113 1 16 . 1 1 49 49 SER N N 49 113.220 113.220 114.482 -1.262 18833 8114 1 16 . 1 1 49 49 SER HA H 49 4.099 4.099 4.177 -0.078 18833 8115 1 16 . 1 1 49 49 SER C C 49 175.707 175.707 176.468 -0.761 18833 8116 1 16 . 1 1 49 49 SER CA C 49 61.168 61.168 60.819 0.349 18833 8117 1 16 . 1 1 49 49 SER CB C 49 62.775 62.775 63.309 -0.534 18833 8118 1 16 . 1 1 49 49 SER H H 49 8.020 8.020 8.286 -0.266 18833 8119 1 16 . 1 1 50 50 ASP N N 50 120.022 120.022 119.724 0.298 18833 8120 1 16 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.509 -0.129 18833 8121 1 16 . 1 1 50 50 ASP C C 50 177.650 177.650 177.225 0.425 18833 8122 1 16 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.588 1.609 18833 8123 1 16 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.438 2.797 18833 8124 1 16 . 1 1 50 50 ASP H H 50 7.579 7.579 7.905 -0.326 18833 8125 1 16 . 1 1 51 51 GLY N N 51 102.979 102.979 106.421 -3.442 18833 8126 1 16 . 1 1 51 51 GLY C C 51 175.026 175.026 175.239 -0.213 18833 8127 1 16 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.788 0.558 18833 8128 1 16 . 1 1 51 51 GLY H H 51 7.364 7.364 8.196 -0.832 18833 8129 1 16 . 1 1 52 52 ARG N N 52 117.501 117.501 120.159 -2.658 18833 8130 1 16 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.292 0.016 18833 8131 1 16 . 1 1 52 52 ARG C C 52 175.898 175.898 176.653 -0.755 18833 8132 1 16 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.150 0.754 18833 8133 1 16 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.630 2.369 18833 8134 1 16 . 1 1 52 52 ARG H H 52 7.958 7.958 8.210 -0.252 18833 8135 1 16 . 1 1 53 53 ILE N N 53 120.028 120.028 117.952 2.076 18833 8136 1 16 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.372 -0.140 18833 8137 1 16 . 1 1 53 53 ILE C C 53 173.773 173.773 174.705 -0.932 18833 8138 1 16 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.373 1.056 18833 8139 1 16 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.536 0.163 18833 8140 1 16 . 1 1 53 53 ILE H H 53 8.223 8.223 7.514 0.709 18833 8141 1 16 . 1 1 54 54 HIS N N 54 123.681 123.681 119.013 4.668 18833 8142 1 16 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.810 -0.009 18833 8143 1 16 . 1 1 54 54 HIS C C 54 173.826 173.826 173.430 0.396 18833 8144 1 16 . 1 1 54 54 HIS CA C 54 54.885 54.885 53.970 0.915 18833 8145 1 16 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.053 1.446 18833 8146 1 16 . 1 1 54 54 HIS H H 54 9.073 9.073 7.727 1.346 18833 8147 1 16 . 1 1 55 55 LYS N N 55 120.814 120.814 121.671 -0.857 18833 8148 1 16 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.947 -0.337 18833 8149 1 16 . 1 1 55 55 LYS C C 55 177.014 177.014 177.380 -0.366 18833 8150 1 16 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.459 0.974 18833 8151 1 16 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.358 0.002 18833 8152 1 16 . 1 1 55 55 LYS H H 55 8.715 8.715 8.811 -0.096 18833 8153 1 16 . 1 1 56 56 GLY N N 56 114.423 114.423 115.185 -0.762 18833 8154 1 16 . 1 1 56 56 GLY C C 56 174.469 174.469 173.965 0.504 18833 8155 1 16 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.562 -0.723 18833 8156 1 16 . 1 1 56 56 GLY H H 56 9.128 9.128 8.907 0.221 18833 8157 1 16 . 1 1 57 57 ASP N N 57 121.735 121.735 121.586 0.149 18833 8158 1 16 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.761 0.122 18833 8159 1 16 . 1 1 57 57 ASP C C 57 174.808 174.808 174.532 0.276 18833 8160 1 16 . 1 1 57 57 ASP CA C 57 55.827 55.827 53.765 2.062 18833 8161 1 16 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.940 -0.885 18833 8162 1 16 . 1 1 57 57 ASP H H 57 8.033 8.033 7.505 0.528 18833 8163 1 16 . 1 1 58 58 ARG N N 58 123.530 123.530 123.153 0.377 18833 8164 1 16 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.077 0.561 18833 8165 1 16 . 1 1 58 58 ARG C C 58 175.641 175.641 174.548 1.093 18833 8166 1 16 . 1 1 58 58 ARG CA C 58 54.700 54.700 55.166 -0.466 18833 8167 1 16 . 1 1 58 58 ARG CB C 58 33.631 33.631 30.879 2.752 18833 8168 1 16 . 1 1 58 58 ARG H H 58 9.097 9.097 8.479 0.618 18833 8169 1 16 . 1 1 59 59 VAL N N 59 126.202 126.202 124.855 1.347 18833 8170 1 16 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.302 -0.397 18833 8171 1 16 . 1 1 59 59 VAL C C 59 174.515 174.515 175.329 -0.814 18833 8172 1 16 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.591 0.561 18833 8173 1 16 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.236 -2.162 18833 8174 1 16 . 1 1 59 59 VAL H H 59 8.898 8.898 8.894 0.004 18833 8175 1 16 . 1 1 60 60 LEU N N 60 127.209 127.209 121.366 5.843 18833 8176 1 16 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.782 -0.462 18833 8177 1 16 . 1 1 60 60 LEU C C 60 178.352 178.352 176.342 2.010 18833 8178 1 16 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.014 1.147 18833 8179 1 16 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.099 -0.474 18833 8180 1 16 . 1 1 60 60 LEU H H 60 9.193 9.193 8.617 0.576 18833 8181 1 16 . 1 1 61 61 ALA N N 61 118.965 118.965 120.088 -1.123 18833 8182 1 16 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.136 -0.197 18833 8183 1 16 . 1 1 61 61 ALA C C 61 175.332 175.332 175.437 -0.105 18833 8184 1 16 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.439 1.853 18833 8185 1 16 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.689 -0.603 18833 8186 1 16 . 1 1 61 61 ALA H H 61 7.759 7.759 7.419 0.340 18833 8187 1 16 . 1 1 62 62 VAL N N 62 119.695 119.695 118.995 0.700 18833 8188 1 16 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.378 0.106 18833 8189 1 16 . 1 1 62 62 VAL C C 62 175.538 175.538 175.923 -0.385 18833 8190 1 16 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.548 -1.011 18833 8191 1 16 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.347 -0.386 18833 8192 1 16 . 1 1 62 62 VAL H H 62 8.218 8.218 8.293 -0.075 18833 8193 1 16 . 1 1 63 63 ASN N N 63 128.940 128.940 128.143 0.797 18833 8194 1 16 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.487 0.084 18833 8195 1 16 . 1 1 63 63 ASN C C 63 175.155 175.155 175.422 -0.267 18833 8196 1 16 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.368 0.091 18833 8197 1 16 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.050 -1.131 18833 8198 1 16 . 1 1 63 63 ASN H H 63 10.387 10.387 9.570 0.817 18833 8199 1 16 . 1 1 64 64 GLY N N 64 103.432 103.432 102.038 1.394 18833 8200 1 16 . 1 1 64 64 GLY C C 64 173.902 173.902 174.119 -0.217 18833 8201 1 16 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.088 0.109 18833 8202 1 16 . 1 1 64 64 GLY H H 64 9.094 9.094 8.644 0.450 18833 8203 1 16 . 1 1 65 65 VAL N N 65 123.418 123.418 122.375 1.043 18833 8204 1 16 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.203 -0.227 18833 8205 1 16 . 1 1 65 65 VAL C C 65 175.675 175.675 175.384 0.291 18833 8206 1 16 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.196 0.866 18833 8207 1 16 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.740 -0.911 18833 8208 1 16 . 1 1 65 65 VAL H H 65 7.948 7.948 7.861 0.087 18833 8209 1 16 . 1 1 66 66 SER N N 66 121.122 121.122 124.464 -3.342 18833 8210 1 16 . 1 1 66 66 SER HA H 66 4.365 4.365 4.459 -0.094 18833 8211 1 16 . 1 1 66 66 SER C C 66 176.402 176.402 174.471 1.931 18833 8212 1 16 . 1 1 66 66 SER CA C 66 58.310 58.310 58.721 -0.411 18833 8213 1 16 . 1 1 66 66 SER CB C 66 63.651 63.651 63.064 0.587 18833 8214 1 16 . 1 1 66 66 SER H H 66 8.671 8.671 8.760 -0.089 18833 8215 1 16 . 1 1 67 67 LEU N N 67 125.351 125.351 124.763 0.588 18833 8216 1 16 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.367 0.073 18833 8217 1 16 . 1 1 67 67 LEU C C 67 176.359 176.359 177.102 -0.743 18833 8218 1 16 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.841 -0.974 18833 8219 1 16 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.637 -0.656 18833 8220 1 16 . 1 1 67 67 LEU H H 67 8.205 8.205 7.957 0.248 18833 8221 1 16 . 1 1 68 68 GLU N N 68 123.211 123.211 117.860 5.351 18833 8222 1 16 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.104 -0.058 18833 8223 1 16 . 1 1 68 68 GLU C C 68 177.820 177.820 177.400 0.420 18833 8224 1 16 . 1 1 68 68 GLU CA C 68 58.535 58.535 56.916 1.619 18833 8225 1 16 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.391 -0.311 18833 8226 1 16 . 1 1 68 68 GLU H H 68 8.300 8.300 7.838 0.462 18833 8227 1 16 . 1 1 69 69 GLY N N 69 115.507 115.507 112.109 3.398 18833 8228 1 16 . 1 1 69 69 GLY C C 69 173.652 173.652 174.341 -0.689 18833 8229 1 16 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.946 0.401 18833 8230 1 16 . 1 1 69 69 GLY H H 69 8.945 8.945 9.127 -0.182 18833 8231 1 16 . 1 1 70 70 ALA N N 70 122.308 122.308 124.704 -2.396 18833 8232 1 16 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.458 0.032 18833 8233 1 16 . 1 1 70 70 ALA C C 70 179.583 179.583 176.498 3.085 18833 8234 1 16 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.904 0.581 18833 8235 1 16 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.904 -0.316 18833 8236 1 16 . 1 1 70 70 ALA H H 70 7.882 7.882 7.553 0.329 18833 8237 1 16 . 1 1 71 71 THR N N 71 111.173 111.173 111.403 -0.230 18833 8238 1 16 . 1 1 71 71 THR HA H 71 4.526 4.526 4.430 0.096 18833 8239 1 16 . 1 1 71 71 THR C C 71 174.660 174.660 175.862 -1.202 18833 8240 1 16 . 1 1 71 71 THR CA C 71 60.732 60.732 60.598 0.134 18833 8241 1 16 . 1 1 71 71 THR CB C 71 71.196 71.196 70.781 0.415 18833 8242 1 16 . 1 1 71 71 THR H H 71 8.185 8.185 7.928 0.257 18833 8243 1 16 . 1 1 72 72 HIS N N 72 121.107 121.107 119.882 1.225 18833 8244 1 16 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.355 -0.354 18833 8245 1 16 . 1 1 72 72 HIS C C 72 176.702 176.702 177.244 -0.542 18833 8246 1 16 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.564 1.888 18833 8247 1 16 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.425 0.884 18833 8248 1 16 . 1 1 72 72 HIS H H 72 9.077 9.077 8.911 0.166 18833 8249 1 16 . 1 1 73 73 LYS N N 73 116.672 116.672 117.510 -0.838 18833 8250 1 16 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.791 -0.035 18833 8251 1 16 . 1 1 73 73 LYS C C 73 178.603 178.603 178.875 -0.272 18833 8252 1 16 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.083 0.939 18833 8253 1 16 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.293 1.167 18833 8254 1 16 . 1 1 73 73 LYS H H 73 8.473 8.473 7.369 1.104 18833 8255 1 16 . 1 1 74 74 GLN N N 74 116.558 116.558 119.622 -3.064 18833 8256 1 16 . 1 1 74 74 GLN HA H 74 3.932 3.932 3.997 -0.065 18833 8257 1 16 . 1 1 74 74 GLN C C 74 179.891 179.891 178.428 1.463 18833 8258 1 16 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.944 -0.373 18833 8259 1 16 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.154 0.171 18833 8260 1 16 . 1 1 74 74 GLN H H 74 7.568 7.568 7.550 0.018 18833 8261 1 16 . 1 1 75 75 ALA N N 75 123.337 123.337 122.790 0.547 18833 8262 1 16 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.028 -0.234 18833 8263 1 16 . 1 1 75 75 ALA C C 75 178.309 178.309 179.367 -1.058 18833 8264 1 16 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.174 0.494 18833 8265 1 16 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.217 1.151 18833 8266 1 16 . 1 1 75 75 ALA H H 75 8.320 8.320 8.004 0.316 18833 8267 1 16 . 1 1 76 76 VAL N N 76 118.172 118.172 118.414 -0.242 18833 8268 1 16 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.710 -0.523 18833 8269 1 16 . 1 1 76 76 VAL C C 76 179.705 179.705 177.516 2.189 18833 8270 1 16 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.738 0.414 18833 8271 1 16 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.613 -0.438 18833 8272 1 16 . 1 1 76 76 VAL H H 76 8.122 8.122 7.450 0.672 18833 8273 1 16 . 1 1 77 77 CYS N N 77 116.979 116.979 118.084 -1.105 18833 8274 1 16 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.104 0.098 18833 8275 1 16 . 1 1 77 77 CYS C C 77 177.004 177.004 177.507 -0.503 18833 8276 1 16 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.168 -1.276 18833 8277 1 16 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.462 11.081 18833 8278 1 16 . 1 1 77 77 CYS H H 77 8.327 8.327 8.089 0.238 18833 8279 1 16 . 1 1 78 78 THR N N 78 117.521 117.521 117.326 0.195 18833 8280 1 16 . 1 1 78 78 THR HA H 78 3.867 3.867 3.893 -0.026 18833 8281 1 16 . 1 1 78 78 THR C C 78 176.306 176.306 176.316 -0.010 18833 8282 1 16 . 1 1 78 78 THR CA C 78 67.197 67.197 67.098 0.099 18833 8283 1 16 . 1 1 78 78 THR CB C 78 68.145 68.145 68.580 -0.435 18833 8284 1 16 . 1 1 78 78 THR H H 78 8.259 8.259 8.235 0.024 18833 8285 1 16 . 1 1 79 79 LEU N N 79 119.714 119.714 120.911 -1.197 18833 8286 1 16 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.967 -0.132 18833 8287 1 16 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.708 0.242 18833 8288 1 16 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.347 0.281 18833 8289 1 16 . 1 1 79 79 LEU H H 79 7.748 7.748 7.503 0.245 18833 8290 1 16 . 1 1 80 80 ARG N N 80 119.613 119.613 116.001 3.612 18833 8291 1 16 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.999 0.116 18833 8292 1 16 . 1 1 80 80 ARG C C 80 177.905 177.905 177.453 0.452 18833 8293 1 16 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.964 -0.502 18833 8294 1 16 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.954 0.816 18833 8295 1 16 . 1 1 80 80 ARG H H 80 7.944 7.944 7.767 0.177 18833 8296 1 16 . 1 1 81 81 ASN N N 81 119.257 119.257 113.686 5.571 18833 8297 1 16 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.778 0.183 18833 8298 1 16 . 1 1 81 81 ASN C C 81 175.030 175.030 175.461 -0.431 18833 8299 1 16 . 1 1 81 81 ASN CA C 81 52.806 52.806 52.933 -0.127 18833 8300 1 16 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.820 -2.366 18833 8301 1 16 . 1 1 81 81 ASN H H 81 7.843 7.843 7.782 0.061 18833 8302 1 16 . 1 1 82 82 THR N N 82 109.817 109.817 113.512 -3.695 18833 8303 1 16 . 1 1 82 82 THR HA H 82 4.391 4.391 4.504 -0.113 18833 8304 1 16 . 1 1 82 82 THR C C 82 175.114 175.114 175.051 0.063 18833 8305 1 16 . 1 1 82 82 THR CA C 82 60.155 60.155 61.598 -1.443 18833 8306 1 16 . 1 1 82 82 THR CB C 82 72.327 72.327 70.680 1.647 18833 8307 1 16 . 1 1 82 82 THR H H 82 7.514 7.514 7.545 -0.031 18833 8308 1 16 . 1 1 83 83 GLY N N 83 109.536 109.536 107.051 2.485 18833 8309 1 16 . 1 1 83 83 GLY C C 83 173.492 173.492 174.477 -0.985 18833 8310 1 16 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.821 -0.695 18833 8311 1 16 . 1 1 83 83 GLY H H 83 8.406 8.406 8.590 -0.184 18833 8312 1 16 . 1 1 84 84 GLN N N 84 117.293 117.293 118.251 -0.958 18833 8313 1 16 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.277 -0.309 18833 8314 1 16 . 1 1 84 84 GLN C C 84 175.351 175.351 175.190 0.161 18833 8315 1 16 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.453 1.059 18833 8316 1 16 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.473 -0.450 18833 8317 1 16 . 1 1 84 84 GLN H H 84 8.218 8.218 8.277 -0.059 18833 8318 1 16 . 1 1 85 85 VAL N N 85 116.238 116.238 118.812 -2.574 18833 8319 1 16 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.621 0.071 18833 8320 1 16 . 1 1 85 85 VAL C C 85 175.864 175.864 175.522 0.342 18833 8321 1 16 . 1 1 85 85 VAL CA C 85 61.342 61.342 60.819 0.523 18833 8322 1 16 . 1 1 85 85 VAL CB C 85 33.374 33.374 32.538 0.836 18833 8323 1 16 . 1 1 85 85 VAL H H 85 7.715 7.715 7.674 0.041 18833 8324 1 16 . 1 1 86 86 VAL N N 86 128.273 128.273 126.372 1.901 18833 8325 1 16 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.228 0.296 18833 8326 1 16 . 1 1 86 86 VAL C C 86 173.320 173.320 174.605 -1.285 18833 8327 1 16 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.483 0.303 18833 8328 1 16 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.233 -0.128 18833 8329 1 16 . 1 1 86 86 VAL H H 86 9.034 9.034 8.613 0.421 18833 8330 1 16 . 1 1 87 87 HIS N N 87 126.224 126.224 125.522 0.702 18833 8331 1 16 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.830 0.207 18833 8332 1 16 . 1 1 87 87 HIS C C 87 174.442 174.442 174.028 0.414 18833 8333 1 16 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.458 0.300 18833 8334 1 16 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.035 1.466 18833 8335 1 16 . 1 1 87 87 HIS H H 87 8.761 8.761 8.446 0.315 18833 8336 1 16 . 1 1 88 88 LEU N N 88 126.604 126.604 125.879 0.725 18833 8337 1 16 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.791 0.178 18833 8338 1 16 . 1 1 88 88 LEU C C 88 173.306 173.306 174.918 -1.612 18833 8339 1 16 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.693 -0.044 18833 8340 1 16 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.911 0.376 18833 8341 1 16 . 1 1 88 88 LEU H H 88 9.045 9.045 9.324 -0.279 18833 8342 1 16 . 1 1 89 89 LEU N N 89 124.501 124.501 123.536 0.965 18833 8343 1 16 . 1 1 89 89 LEU HA H 89 4.721 4.721 5.159 -0.438 18833 8344 1 16 . 1 1 89 89 LEU C C 89 175.180 175.180 175.274 -0.094 18833 8345 1 16 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.560 0.178 18833 8346 1 16 . 1 1 89 89 LEU CB C 89 45.366 45.366 43.862 1.504 18833 8347 1 16 . 1 1 89 89 LEU H H 89 7.977 7.977 8.151 -0.174 18833 8348 1 16 . 1 1 90 90 LEU N N 90 127.520 127.520 123.298 4.222 18833 8349 1 16 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.700 0.589 18833 8350 1 16 . 1 1 90 90 LEU C C 90 173.616 173.616 174.296 -0.680 18833 8351 1 16 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.641 0.514 18833 8352 1 16 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.227 -0.207 18833 8353 1 16 . 1 1 90 90 LEU H H 90 8.896 8.896 8.595 0.301 18833 8354 1 16 . 1 1 91 91 GLU N N 91 118.964 118.964 120.457 -1.493 18833 8355 1 16 . 1 1 91 91 GLU HA H 91 5.086 5.086 4.738 0.348 18833 8356 1 16 . 1 1 91 91 GLU C C 91 176.652 176.652 175.351 1.301 18833 8357 1 16 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.270 -0.452 18833 8358 1 16 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.121 0.785 18833 8359 1 16 . 1 1 91 91 GLU H H 91 8.825 8.825 7.975 0.850 18833 8360 1 16 . 1 1 92 92 LYS N N 92 128.805 128.805 126.036 2.769 18833 8361 1 16 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.415 -0.046 18833 8362 1 16 . 1 1 92 92 LYS C C 92 178.011 178.011 176.153 1.858 18833 8363 1 16 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.742 -0.402 18833 8364 1 16 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.194 -1.125 18833 8365 1 16 . 1 1 92 92 LYS H H 92 9.333 9.333 8.839 0.494 18833 8366 1 16 . 1 1 93 93 GLY N N 93 117.774 117.774 109.961 7.813 18833 8367 1 16 . 1 1 93 93 GLY C C 93 173.157 173.157 172.389 0.768 18833 8368 1 16 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.955 0.220 18833 8369 1 16 . 1 1 93 93 GLY H H 93 9.735 9.735 8.545 1.190 18833 8370 1 16 . 1 1 94 94 GLN N N 94 116.912 116.912 118.765 -1.853 18833 8371 1 16 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.842 -0.578 18833 8372 1 16 . 1 1 94 94 GLN C C 94 175.955 175.955 175.888 0.067 18833 8373 1 16 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.884 0.617 18833 8374 1 16 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.539 -0.821 18833 8375 1 16 . 1 1 94 94 GLN H H 94 8.243 8.243 7.995 0.248 18833 8376 1 16 . 1 1 95 95 SER N N 95 118.157 118.157 117.218 0.939 18833 8377 1 16 . 1 1 95 95 SER HA H 95 4.662 4.662 4.993 -0.331 18833 8378 1 16 . 1 1 95 95 SER CA C 95 56.615 56.615 55.954 0.661 18833 8379 1 16 . 1 1 95 95 SER CB C 95 63.203 63.203 62.340 0.863 18833 8380 1 16 . 1 1 95 95 SER H H 95 8.396 8.396 8.435 -0.039 18833 8381 1 16 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.423 0.054 18833 8382 1 16 . 1 1 96 96 PRO C C 96 176.303 176.303 176.816 -0.513 18833 8383 1 16 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.769 0.745 18833 8384 1 16 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.975 -0.046 18833 8385 1 17 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.352 0.120 18833 8386 1 17 . 1 1 2 2 PRO C C 2 175.867 175.867 176.205 -0.338 18833 8387 1 17 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.460 0.380 18833 8388 1 17 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.009 0.304 18833 8389 1 17 . 1 1 3 3 LYS N N 3 124.698 124.698 124.832 -0.134 18833 8390 1 17 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.538 0.069 18833 8391 1 17 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.376 -0.769 18833 8392 1 17 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.279 -0.692 18833 8393 1 17 . 1 1 3 3 LYS H H 3 8.933 8.933 8.813 0.120 18833 8394 1 17 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.252 -0.311 18833 8395 1 17 . 1 1 4 4 PRO C C 4 177.504 177.504 177.527 -0.023 18833 8396 1 17 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.248 0.264 18833 8397 1 17 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.222 0.448 18833 8398 1 17 . 1 1 5 5 GLY N N 5 113.652 113.652 113.571 0.081 18833 8399 1 17 . 1 1 5 5 GLY C C 5 174.146 174.146 174.535 -0.389 18833 8400 1 17 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.822 0.251 18833 8401 1 17 . 1 1 5 5 GLY H H 5 9.014 9.014 8.561 0.453 18833 8402 1 17 . 1 1 6 6 ASP N N 6 121.766 121.766 122.790 -1.024 18833 8403 1 17 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.666 0.005 18833 8404 1 17 . 1 1 6 6 ASP C C 6 175.762 175.762 175.593 0.169 18833 8405 1 17 . 1 1 6 6 ASP CA C 6 54.899 54.899 55.576 -0.677 18833 8406 1 17 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.059 -0.653 18833 8407 1 17 . 1 1 6 6 ASP H H 6 8.489 8.489 8.119 0.370 18833 8408 1 17 . 1 1 7 7 ILE N N 7 121.794 121.794 121.637 0.157 18833 8409 1 17 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.971 0.362 18833 8410 1 17 . 1 1 7 7 ILE C C 7 176.854 176.854 176.193 0.661 18833 8411 1 17 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.374 -0.742 18833 8412 1 17 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.365 -1.150 18833 8413 1 17 . 1 1 7 7 ILE H H 7 8.368 8.368 8.480 -0.112 18833 8414 1 17 . 1 1 8 8 PHE N N 8 125.873 125.873 125.949 -0.076 18833 8415 1 17 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.034 0.030 18833 8416 1 17 . 1 1 8 8 PHE C C 8 171.167 171.167 173.619 -2.452 18833 8417 1 17 . 1 1 8 8 PHE CA C 8 55.550 55.550 54.406 1.144 18833 8418 1 17 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.535 -0.202 18833 8419 1 17 . 1 1 8 8 PHE H H 8 9.498 9.498 8.962 0.536 18833 8420 1 17 . 1 1 9 9 GLU N N 9 119.065 119.065 122.499 -3.434 18833 8421 1 17 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.943 0.272 18833 8422 1 17 . 1 1 9 9 GLU C C 9 176.019 176.019 176.189 -0.170 18833 8423 1 17 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.499 -1.510 18833 8424 1 17 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.123 2.288 18833 8425 1 17 . 1 1 9 9 GLU H H 9 8.502 8.502 8.577 -0.075 18833 8426 1 17 . 1 1 10 10 VAL N N 10 120.078 120.078 125.286 -5.208 18833 8427 1 17 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.367 -0.232 18833 8428 1 17 . 1 1 10 10 VAL C C 10 173.177 173.177 174.559 -1.382 18833 8429 1 17 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.913 0.200 18833 8430 1 17 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.650 1.131 18833 8431 1 17 . 1 1 10 10 VAL H H 10 8.581 8.581 9.154 -0.573 18833 8432 1 17 . 1 1 11 11 GLU N N 11 126.482 126.482 126.215 0.267 18833 8433 1 17 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.057 -0.058 18833 8434 1 17 . 1 1 11 11 GLU C C 11 174.618 174.618 175.181 -0.563 18833 8435 1 17 . 1 1 11 11 GLU CA C 11 54.814 54.814 55.056 -0.242 18833 8436 1 17 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.876 0.132 18833 8437 1 17 . 1 1 11 11 GLU H H 11 7.810 7.810 8.563 -0.753 18833 8438 1 17 . 1 1 12 12 LEU N N 12 126.093 126.093 126.910 -0.817 18833 8439 1 17 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.623 0.031 18833 8440 1 17 . 1 1 12 12 LEU C C 12 174.013 174.013 174.666 -0.653 18833 8441 1 17 . 1 1 12 12 LEU CA C 12 53.174 53.174 52.986 0.188 18833 8442 1 17 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.639 2.227 18833 8443 1 17 . 1 1 12 12 LEU H H 12 8.888 8.888 8.818 0.070 18833 8444 1 17 . 1 1 13 13 ALA N N 13 126.137 126.137 129.331 -3.194 18833 8445 1 17 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.675 0.426 18833 8446 1 17 . 1 1 13 13 ALA C C 13 177.290 177.290 177.502 -0.212 18833 8447 1 17 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.122 -1.239 18833 8448 1 17 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.436 -1.027 18833 8449 1 17 . 1 1 13 13 ALA H H 13 8.494 8.494 8.688 -0.194 18833 8450 1 17 . 1 1 14 14 LYS N N 14 120.270 120.270 123.117 -2.847 18833 8451 1 17 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.351 -0.553 18833 8452 1 17 . 1 1 14 14 LYS C C 14 176.313 176.313 176.562 -0.249 18833 8453 1 17 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.098 2.700 18833 8454 1 17 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.010 2.903 18833 8455 1 17 . 1 1 14 14 LYS H H 14 8.486 8.486 8.569 -0.083 18833 8456 1 17 . 1 1 15 15 ASN N N 15 117.746 117.746 118.356 -0.610 18833 8457 1 17 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.536 0.288 18833 8458 1 17 . 1 1 15 15 ASN CA C 15 52.779 52.779 54.433 -1.654 18833 8459 1 17 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.715 1.407 18833 8460 1 17 . 1 1 15 15 ASN H H 15 8.139 8.139 8.194 -0.055 18833 8461 1 17 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.789 -0.488 18833 8462 1 17 . 1 1 16 16 ASP C C 16 175.367 175.367 175.597 -0.230 18833 8463 1 17 . 1 1 16 16 ASP CA C 16 55.452 55.452 52.955 2.497 18833 8464 1 17 . 1 1 16 16 ASP CB C 16 39.456 39.456 42.011 -2.555 18833 8465 1 17 . 1 1 17 17 ASN N N 17 111.793 111.793 118.345 -6.552 18833 8466 1 17 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.568 -0.188 18833 8467 1 17 . 1 1 17 17 ASN C C 17 174.599 174.599 175.488 -0.889 18833 8468 1 17 . 1 1 17 17 ASN CA C 17 53.793 53.793 54.211 -0.418 18833 8469 1 17 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.041 -0.325 18833 8470 1 17 . 1 1 17 17 ASN H H 17 8.698 8.698 8.460 0.238 18833 8471 1 17 . 1 1 18 18 SER N N 18 112.321 112.321 115.844 -3.523 18833 8472 1 17 . 1 1 18 18 SER HA H 18 4.827 4.827 4.559 0.268 18833 8473 1 17 . 1 1 18 18 SER CA C 18 56.795 56.795 57.767 -0.972 18833 8474 1 17 . 1 1 18 18 SER CB C 18 64.855 64.855 63.861 0.995 18833 8475 1 17 . 1 1 18 18 SER H H 18 7.989 7.989 7.720 0.269 18833 8476 1 17 . 1 1 19 19 LEU N N 19 127.097 127.097 127.948 -0.851 18833 8477 1 17 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.256 -0.090 18833 8478 1 17 . 1 1 19 19 LEU C C 19 177.329 177.329 177.383 -0.054 18833 8479 1 17 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.977 -0.464 18833 8480 1 17 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.225 1.094 18833 8481 1 17 . 1 1 19 19 LEU H H 19 9.247 9.247 8.734 0.513 18833 8482 1 17 . 1 1 20 20 GLY N N 20 104.340 104.340 104.308 0.032 18833 8483 1 17 . 1 1 20 20 GLY C C 20 175.984 175.984 173.319 2.665 18833 8484 1 17 . 1 1 20 20 GLY CA C 20 46.799 46.799 44.885 1.915 18833 8485 1 17 . 1 1 20 20 GLY H H 20 8.664 8.664 8.428 0.236 18833 8486 1 17 . 1 1 21 21 ILE N N 21 115.279 115.279 118.423 -3.144 18833 8487 1 17 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.150 -0.154 18833 8488 1 17 . 1 1 21 21 ILE C C 21 175.972 175.972 174.566 1.406 18833 8489 1 17 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.618 0.163 18833 8490 1 17 . 1 1 21 21 ILE CB C 21 42.622 42.622 42.503 0.119 18833 8491 1 17 . 1 1 21 21 ILE H H 21 7.614 7.614 7.698 -0.084 18833 8492 1 17 . 1 1 22 22 CYS N N 22 122.210 122.210 120.930 1.280 18833 8493 1 17 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.888 0.383 18833 8494 1 17 . 1 1 22 22 CYS C C 22 175.904 175.904 172.787 3.117 18833 8495 1 17 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.425 -5.480 18833 8496 1 17 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.232 3.960 18833 8497 1 17 . 1 1 22 22 CYS H H 22 8.506 8.506 8.502 0.004 18833 8498 1 17 . 1 1 23 23 VAL N N 23 117.739 117.739 115.539 2.200 18833 8499 1 17 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.413 0.054 18833 8500 1 17 . 1 1 23 23 VAL C C 23 173.821 173.821 174.167 -0.346 18833 8501 1 17 . 1 1 23 23 VAL CA C 23 59.820 59.820 59.979 -0.159 18833 8502 1 17 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.501 0.254 18833 8503 1 17 . 1 1 23 23 VAL H H 23 9.203 9.203 8.487 0.716 18833 8504 1 17 . 1 1 24 24 THR N N 24 114.753 114.753 114.424 0.329 18833 8505 1 17 . 1 1 24 24 THR HA H 24 4.649 4.649 4.690 -0.041 18833 8506 1 17 . 1 1 24 24 THR C C 24 171.786 171.786 173.183 -1.397 18833 8507 1 17 . 1 1 24 24 THR CA C 24 59.529 59.529 59.631 -0.102 18833 8508 1 17 . 1 1 24 24 THR CB C 24 70.563 70.563 70.696 -0.133 18833 8509 1 17 . 1 1 24 24 THR H H 24 9.237 9.237 8.691 0.546 18833 8510 1 17 . 1 1 25 25 GLY N N 25 111.927 111.927 110.224 1.703 18833 8511 1 17 . 1 1 25 25 GLY C C 25 174.099 174.099 172.890 1.209 18833 8512 1 17 . 1 1 25 25 GLY CA C 25 44.612 44.612 45.234 -0.622 18833 8513 1 17 . 1 1 25 25 GLY H H 25 8.291 8.291 8.488 -0.197 18833 8514 1 17 . 1 1 26 26 GLY N N 26 107.140 107.140 109.022 -1.882 18833 8515 1 17 . 1 1 26 26 GLY C C 26 176.180 176.180 175.038 1.142 18833 8516 1 17 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.657 -1.854 18833 8517 1 17 . 1 1 26 26 GLY H H 26 7.545 7.545 8.270 -0.725 18833 8518 1 17 . 1 1 27 27 VAL N N 27 116.837 116.837 120.944 -4.107 18833 8519 1 17 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.890 0.236 18833 8520 1 17 . 1 1 27 27 VAL C C 27 175.764 175.764 175.455 0.309 18833 8521 1 17 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.706 1.089 18833 8522 1 17 . 1 1 27 27 VAL CB C 27 31.983 31.983 29.738 2.244 18833 8523 1 17 . 1 1 27 27 VAL H H 27 8.091 8.091 8.206 -0.115 18833 8524 1 17 . 1 1 28 28 ASN N N 28 117.997 117.997 114.813 3.184 18833 8525 1 17 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.470 0.339 18833 8526 1 17 . 1 1 28 28 ASN C C 28 174.860 174.860 174.454 0.406 18833 8527 1 17 . 1 1 28 28 ASN CA C 28 53.455 53.455 54.091 -0.636 18833 8528 1 17 . 1 1 28 28 ASN CB C 28 37.747 37.747 35.993 1.754 18833 8529 1 17 . 1 1 28 28 ASN H H 28 8.795 8.795 8.467 0.328 18833 8530 1 17 . 1 1 29 29 THR N N 29 111.381 111.381 113.309 -1.928 18833 8531 1 17 . 1 1 29 29 THR HA H 29 4.689 4.689 4.504 0.185 18833 8532 1 17 . 1 1 29 29 THR CA C 29 61.526 61.526 60.087 1.440 18833 8533 1 17 . 1 1 29 29 THR CB C 29 70.889 70.889 69.889 1.000 18833 8534 1 17 . 1 1 29 29 THR H H 29 7.858 7.858 8.055 -0.197 18833 8535 1 17 . 1 1 30 30 SER N N 30 114.070 114.070 115.781 -1.711 18833 8536 1 17 . 1 1 30 30 SER HA H 30 4.535 4.535 4.290 0.245 18833 8537 1 17 . 1 1 30 30 SER C C 30 174.879 174.879 174.308 0.571 18833 8538 1 17 . 1 1 30 30 SER CA C 30 58.380 58.380 59.861 -1.481 18833 8539 1 17 . 1 1 30 30 SER CB C 30 63.532 63.532 63.277 0.255 18833 8540 1 17 . 1 1 30 30 SER H H 30 8.433 8.433 8.617 -0.184 18833 8541 1 17 . 1 1 31 31 VAL N N 31 118.337 118.337 115.545 2.792 18833 8542 1 17 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.287 -0.196 18833 8543 1 17 . 1 1 31 31 VAL C C 31 176.528 176.528 176.723 -0.195 18833 8544 1 17 . 1 1 31 31 VAL CA C 31 62.145 62.145 60.828 1.317 18833 8545 1 17 . 1 1 31 31 VAL CB C 31 32.500 32.500 33.184 -0.684 18833 8546 1 17 . 1 1 31 31 VAL H H 31 7.588 7.588 7.361 0.227 18833 8547 1 17 . 1 1 32 32 ARG N N 32 124.670 124.670 127.563 -2.893 18833 8548 1 17 . 1 1 32 32 ARG HA H 32 4.011 4.011 3.904 0.107 18833 8549 1 17 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.613 -0.641 18833 8550 1 17 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.044 -0.469 18833 8551 1 17 . 1 1 32 32 ARG H H 32 8.511 8.511 8.700 -0.189 18833 8552 1 17 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.601 -0.028 18833 8553 1 17 . 1 1 33 33 HIS C C 33 175.064 175.064 175.540 -0.476 18833 8554 1 17 . 1 1 33 33 HIS CA C 33 56.831 56.831 55.886 0.945 18833 8555 1 17 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.202 -0.084 18833 8556 1 17 . 1 1 34 34 GLY N N 34 109.531 109.531 107.045 2.486 18833 8557 1 17 . 1 1 34 34 GLY C C 34 174.582 174.582 174.510 0.072 18833 8558 1 17 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.326 1.255 18833 8559 1 17 . 1 1 34 34 GLY H H 34 8.471 8.471 7.629 0.842 18833 8560 1 17 . 1 1 35 35 GLY N N 35 105.151 105.151 106.473 -1.322 18833 8561 1 17 . 1 1 35 35 GLY C C 35 170.505 170.505 174.191 -3.686 18833 8562 1 17 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.961 0.616 18833 8563 1 17 . 1 1 35 35 GLY H H 35 7.833 7.833 7.913 -0.080 18833 8564 1 17 . 1 1 36 36 ILE N N 36 119.676 119.676 125.734 -6.058 18833 8565 1 17 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.374 0.338 18833 8566 1 17 . 1 1 36 36 ILE C C 36 174.641 174.641 175.070 -0.429 18833 8567 1 17 . 1 1 36 36 ILE CA C 36 57.084 57.084 61.012 -3.928 18833 8568 1 17 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.485 -0.753 18833 8569 1 17 . 1 1 36 36 ILE H H 36 8.350 8.350 8.180 0.170 18833 8570 1 17 . 1 1 37 37 TYR N N 37 123.307 123.307 127.951 -4.644 18833 8571 1 17 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.912 0.395 18833 8572 1 17 . 1 1 37 37 TYR C C 37 176.165 176.165 176.153 0.012 18833 8573 1 17 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.380 -1.533 18833 8574 1 17 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.728 1.601 18833 8575 1 17 . 1 1 37 37 TYR H H 37 8.892 8.892 8.835 0.057 18833 8576 1 17 . 1 1 38 38 VAL N N 38 120.580 120.580 121.968 -1.388 18833 8577 1 17 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.072 -0.336 18833 8578 1 17 . 1 1 38 38 VAL C C 38 175.983 175.983 176.176 -0.193 18833 8579 1 17 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.523 0.146 18833 8580 1 17 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.528 -0.000 18833 8581 1 17 . 1 1 38 38 VAL H H 38 9.365 9.365 9.248 0.117 18833 8582 1 17 . 1 1 39 39 LYS N N 39 133.297 133.297 128.567 4.730 18833 8583 1 17 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.499 -0.114 18833 8584 1 17 . 1 1 39 39 LYS C C 39 174.520 174.520 175.398 -0.878 18833 8585 1 17 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.893 -0.384 18833 8586 1 17 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.862 -0.228 18833 8587 1 17 . 1 1 39 39 LYS H H 39 9.560 9.560 9.019 0.541 18833 8588 1 17 . 1 1 40 40 ALA N N 40 118.155 118.155 119.706 -1.551 18833 8589 1 17 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.738 -0.233 18833 8590 1 17 . 1 1 40 40 ALA C C 40 174.639 174.639 174.876 -0.237 18833 8591 1 17 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.249 0.546 18833 8592 1 17 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.718 0.762 18833 8593 1 17 . 1 1 40 40 ALA H H 40 7.498 7.498 7.458 0.040 18833 8594 1 17 . 1 1 41 41 VAL N N 41 121.634 121.634 121.495 0.139 18833 8595 1 17 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.774 -0.365 18833 8596 1 17 . 1 1 41 41 VAL C C 41 175.829 175.829 175.496 0.333 18833 8597 1 17 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.633 0.671 18833 8598 1 17 . 1 1 41 41 VAL CB C 41 32.195 32.195 35.190 -2.995 18833 8599 1 17 . 1 1 41 41 VAL H H 41 8.634 8.634 8.358 0.276 18833 8600 1 17 . 1 1 42 42 ILE N N 42 128.094 128.094 127.565 0.529 18833 8601 1 17 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.283 -0.137 18833 8602 1 17 . 1 1 42 42 ILE CA C 42 58.646 58.646 57.826 0.820 18833 8603 1 17 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.351 0.654 18833 8604 1 17 . 1 1 42 42 ILE H H 42 7.944 7.944 8.255 -0.311 18833 8605 1 17 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.565 -0.114 18833 8606 1 17 . 1 1 43 43 PRO C C 43 177.234 177.234 176.450 0.784 18833 8607 1 17 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.149 1.048 18833 8608 1 17 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.068 0.777 18833 8609 1 17 . 1 1 44 44 GLN N N 44 116.825 116.825 116.506 0.319 18833 8610 1 17 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.973 -0.124 18833 8611 1 17 . 1 1 44 44 GLN C C 44 175.752 175.752 175.536 0.216 18833 8612 1 17 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.642 1.490 18833 8613 1 17 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.460 0.014 18833 8614 1 17 . 1 1 44 44 GLN H H 44 9.345 9.345 9.461 -0.116 18833 8615 1 17 . 1 1 45 45 GLY N N 45 106.186 106.186 105.026 1.160 18833 8616 1 17 . 1 1 45 45 GLY C C 45 174.374 174.374 174.247 0.127 18833 8617 1 17 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.329 0.395 18833 8618 1 17 . 1 1 45 45 GLY H H 45 7.887 7.887 7.884 0.003 18833 8619 1 17 . 1 1 46 46 ALA N N 46 120.843 120.843 123.987 -3.144 18833 8620 1 17 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.215 -0.156 18833 8621 1 17 . 1 1 46 46 ALA C C 46 180.628 180.628 179.419 1.209 18833 8622 1 17 . 1 1 46 46 ALA CA C 46 55.035 55.035 54.950 0.085 18833 8623 1 17 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.883 -0.261 18833 8624 1 17 . 1 1 46 46 ALA H H 46 8.907 8.907 8.311 0.596 18833 8625 1 17 . 1 1 47 47 ALA N N 47 118.721 118.721 120.794 -2.073 18833 8626 1 17 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.930 0.141 18833 8627 1 17 . 1 1 47 47 ALA C C 47 180.589 180.589 179.239 1.350 18833 8628 1 17 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.372 -0.526 18833 8629 1 17 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.013 0.756 18833 8630 1 17 . 1 1 47 47 ALA H H 47 7.856 7.856 7.827 0.029 18833 8631 1 17 . 1 1 48 48 GLU N N 48 124.373 124.373 119.073 5.300 18833 8632 1 17 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.040 -0.231 18833 8633 1 17 . 1 1 48 48 GLU C C 48 178.120 178.120 179.113 -0.993 18833 8634 1 17 . 1 1 48 48 GLU CA C 48 59.857 59.857 59.279 0.578 18833 8635 1 17 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.519 0.100 18833 8636 1 17 . 1 1 48 48 GLU H H 48 9.195 9.195 8.114 1.081 18833 8637 1 17 . 1 1 49 49 SER N N 49 113.220 113.220 114.780 -1.560 18833 8638 1 17 . 1 1 49 49 SER HA H 49 4.099 4.099 4.185 -0.086 18833 8639 1 17 . 1 1 49 49 SER C C 49 175.707 175.707 176.587 -0.880 18833 8640 1 17 . 1 1 49 49 SER CA C 49 61.168 61.168 60.766 0.402 18833 8641 1 17 . 1 1 49 49 SER CB C 49 62.775 62.775 63.303 -0.528 18833 8642 1 17 . 1 1 49 49 SER H H 49 8.020 8.020 7.886 0.134 18833 8643 1 17 . 1 1 50 50 ASP N N 50 120.022 120.022 120.100 -0.078 18833 8644 1 17 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.457 -0.077 18833 8645 1 17 . 1 1 50 50 ASP C C 50 177.650 177.650 177.372 0.278 18833 8646 1 17 . 1 1 50 50 ASP CA C 50 57.197 57.197 56.184 1.013 18833 8647 1 17 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.587 2.648 18833 8648 1 17 . 1 1 50 50 ASP H H 50 7.579 7.579 8.010 -0.431 18833 8649 1 17 . 1 1 51 51 GLY N N 51 102.979 102.979 105.580 -2.601 18833 8650 1 17 . 1 1 51 51 GLY C C 51 175.026 175.026 175.210 -0.184 18833 8651 1 17 . 1 1 51 51 GLY CA C 51 46.346 46.346 46.370 -0.024 18833 8652 1 17 . 1 1 51 51 GLY H H 51 7.364 7.364 8.518 -1.154 18833 8653 1 17 . 1 1 52 52 ARG N N 52 117.501 117.501 118.887 -1.386 18833 8654 1 17 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.128 0.180 18833 8655 1 17 . 1 1 52 52 ARG C C 52 175.898 175.898 176.016 -0.118 18833 8656 1 17 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.167 0.737 18833 8657 1 17 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.693 2.306 18833 8658 1 17 . 1 1 52 52 ARG H H 52 7.958 7.958 7.640 0.318 18833 8659 1 17 . 1 1 53 53 ILE N N 53 120.028 120.028 117.822 2.206 18833 8660 1 17 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.702 -0.470 18833 8661 1 17 . 1 1 53 53 ILE C C 53 173.773 173.773 174.936 -1.163 18833 8662 1 17 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.649 0.780 18833 8663 1 17 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.174 0.525 18833 8664 1 17 . 1 1 53 53 ILE H H 53 8.223 8.223 7.556 0.667 18833 8665 1 17 . 1 1 54 54 HIS N N 54 123.681 123.681 123.779 -0.098 18833 8666 1 17 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.885 -0.084 18833 8667 1 17 . 1 1 54 54 HIS C C 54 173.826 173.826 174.146 -0.320 18833 8668 1 17 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.423 0.462 18833 8669 1 17 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.300 0.199 18833 8670 1 17 . 1 1 54 54 HIS H H 54 9.073 9.073 9.355 -0.282 18833 8671 1 17 . 1 1 55 55 LYS N N 55 120.814 120.814 121.094 -0.280 18833 8672 1 17 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.029 -0.419 18833 8673 1 17 . 1 1 55 55 LYS C C 55 177.014 177.014 177.413 -0.399 18833 8674 1 17 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.880 0.553 18833 8675 1 17 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.664 -0.304 18833 8676 1 17 . 1 1 55 55 LYS H H 55 8.715 8.715 8.591 0.124 18833 8677 1 17 . 1 1 56 56 GLY N N 56 114.423 114.423 115.036 -0.613 18833 8678 1 17 . 1 1 56 56 GLY C C 56 174.469 174.469 174.397 0.072 18833 8679 1 17 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.958 -0.120 18833 8680 1 17 . 1 1 56 56 GLY H H 56 9.128 9.128 8.492 0.636 18833 8681 1 17 . 1 1 57 57 ASP N N 57 121.735 121.735 122.488 -0.753 18833 8682 1 17 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.836 0.047 18833 8683 1 17 . 1 1 57 57 ASP C C 57 174.808 174.808 174.910 -0.102 18833 8684 1 17 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.062 0.765 18833 8685 1 17 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.680 -0.625 18833 8686 1 17 . 1 1 57 57 ASP H H 57 8.033 8.033 7.683 0.350 18833 8687 1 17 . 1 1 58 58 ARG N N 58 123.530 123.530 122.896 0.634 18833 8688 1 17 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.610 0.028 18833 8689 1 17 . 1 1 58 58 ARG C C 58 175.641 175.641 174.744 0.897 18833 8690 1 17 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.082 0.618 18833 8691 1 17 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.564 2.067 18833 8692 1 17 . 1 1 58 58 ARG H H 58 9.097 9.097 8.509 0.588 18833 8693 1 17 . 1 1 59 59 VAL N N 59 126.202 126.202 126.643 -0.441 18833 8694 1 17 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.223 -0.318 18833 8695 1 17 . 1 1 59 59 VAL C C 59 174.515 174.515 175.507 -0.992 18833 8696 1 17 . 1 1 59 59 VAL CA C 59 62.152 62.152 62.820 -0.668 18833 8697 1 17 . 1 1 59 59 VAL CB C 59 31.074 31.074 31.658 -0.584 18833 8698 1 17 . 1 1 59 59 VAL H H 59 8.898 8.898 8.772 0.126 18833 8699 1 17 . 1 1 60 60 LEU N N 60 127.209 127.209 123.392 3.817 18833 8700 1 17 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.659 -0.339 18833 8701 1 17 . 1 1 60 60 LEU C C 60 178.352 178.352 176.601 1.751 18833 8702 1 17 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.210 0.951 18833 8703 1 17 . 1 1 60 60 LEU CB C 60 42.625 42.625 42.776 -0.151 18833 8704 1 17 . 1 1 60 60 LEU H H 60 9.193 9.193 8.323 0.870 18833 8705 1 17 . 1 1 61 61 ALA N N 61 118.965 118.965 119.528 -0.563 18833 8706 1 17 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.358 -0.419 18833 8707 1 17 . 1 1 61 61 ALA C C 61 175.332 175.332 175.487 -0.155 18833 8708 1 17 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.220 2.072 18833 8709 1 17 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.694 -0.608 18833 8710 1 17 . 1 1 61 61 ALA H H 61 7.759 7.759 7.347 0.412 18833 8711 1 17 . 1 1 62 62 VAL N N 62 119.695 119.695 118.720 0.975 18833 8712 1 17 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.605 -0.121 18833 8713 1 17 . 1 1 62 62 VAL C C 62 175.538 175.538 175.964 -0.426 18833 8714 1 17 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.285 -0.748 18833 8715 1 17 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.171 -0.210 18833 8716 1 17 . 1 1 62 62 VAL H H 62 8.218 8.218 7.975 0.243 18833 8717 1 17 . 1 1 63 63 ASN N N 63 128.940 128.940 128.100 0.840 18833 8718 1 17 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.335 0.236 18833 8719 1 17 . 1 1 63 63 ASN C C 63 175.155 175.155 175.480 -0.325 18833 8720 1 17 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.373 0.086 18833 8721 1 17 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.103 -1.184 18833 8722 1 17 . 1 1 63 63 ASN H H 63 10.387 10.387 9.436 0.951 18833 8723 1 17 . 1 1 64 64 GLY N N 64 103.432 103.432 101.873 1.559 18833 8724 1 17 . 1 1 64 64 GLY C C 64 173.902 173.902 174.073 -0.171 18833 8725 1 17 . 1 1 64 64 GLY CA C 64 45.197 45.197 44.967 0.230 18833 8726 1 17 . 1 1 64 64 GLY H H 64 9.094 9.094 8.537 0.557 18833 8727 1 17 . 1 1 65 65 VAL N N 65 123.418 123.418 122.280 1.138 18833 8728 1 17 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.162 -0.186 18833 8729 1 17 . 1 1 65 65 VAL C C 65 175.675 175.675 175.444 0.231 18833 8730 1 17 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.206 0.856 18833 8731 1 17 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.598 -0.769 18833 8732 1 17 . 1 1 65 65 VAL H H 65 7.948 7.948 7.731 0.217 18833 8733 1 17 . 1 1 66 66 SER N N 66 121.122 121.122 124.396 -3.274 18833 8734 1 17 . 1 1 66 66 SER HA H 66 4.365 4.365 4.333 0.032 18833 8735 1 17 . 1 1 66 66 SER C C 66 176.402 176.402 174.232 2.170 18833 8736 1 17 . 1 1 66 66 SER CA C 66 58.310 58.310 59.194 -0.883 18833 8737 1 17 . 1 1 66 66 SER CB C 66 63.651 63.651 63.215 0.436 18833 8738 1 17 . 1 1 66 66 SER H H 66 8.671 8.671 8.762 -0.091 18833 8739 1 17 . 1 1 67 67 LEU N N 67 125.351 125.351 125.755 -0.404 18833 8740 1 17 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.414 0.026 18833 8741 1 17 . 1 1 67 67 LEU C C 67 176.359 176.359 176.866 -0.507 18833 8742 1 17 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.447 -0.580 18833 8743 1 17 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.614 -0.633 18833 8744 1 17 . 1 1 67 67 LEU H H 67 8.205 8.205 8.320 -0.115 18833 8745 1 17 . 1 1 68 68 GLU N N 68 123.211 123.211 118.663 4.548 18833 8746 1 17 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.088 -0.042 18833 8747 1 17 . 1 1 68 68 GLU C C 68 177.820 177.820 177.379 0.441 18833 8748 1 17 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.150 1.385 18833 8749 1 17 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.487 -0.407 18833 8750 1 17 . 1 1 68 68 GLU H H 68 8.300 8.300 7.778 0.522 18833 8751 1 17 . 1 1 69 69 GLY N N 69 115.507 115.507 111.945 3.562 18833 8752 1 17 . 1 1 69 69 GLY C C 69 173.652 173.652 174.487 -0.835 18833 8753 1 17 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.047 0.300 18833 8754 1 17 . 1 1 69 69 GLY H H 69 8.945 8.945 9.008 -0.063 18833 8755 1 17 . 1 1 70 70 ALA N N 70 122.308 122.308 125.000 -2.692 18833 8756 1 17 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.280 0.210 18833 8757 1 17 . 1 1 70 70 ALA C C 70 179.583 179.583 176.890 2.693 18833 8758 1 17 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.029 0.456 18833 8759 1 17 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.863 -0.275 18833 8760 1 17 . 1 1 70 70 ALA H H 70 7.882 7.882 7.525 0.357 18833 8761 1 17 . 1 1 71 71 THR N N 71 111.173 111.173 111.365 -0.192 18833 8762 1 17 . 1 1 71 71 THR HA H 71 4.526 4.526 4.521 0.005 18833 8763 1 17 . 1 1 71 71 THR C C 71 174.660 174.660 175.717 -1.057 18833 8764 1 17 . 1 1 71 71 THR CA C 71 60.732 60.732 60.620 0.112 18833 8765 1 17 . 1 1 71 71 THR CB C 71 71.196 71.196 70.520 0.676 18833 8766 1 17 . 1 1 71 71 THR H H 71 8.185 8.185 8.139 0.046 18833 8767 1 17 . 1 1 72 72 HIS N N 72 121.107 121.107 119.700 1.407 18833 8768 1 17 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.264 -0.263 18833 8769 1 17 . 1 1 72 72 HIS C C 72 176.702 176.702 177.061 -0.359 18833 8770 1 17 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.469 1.983 18833 8771 1 17 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.126 1.183 18833 8772 1 17 . 1 1 72 72 HIS H H 72 9.077 9.077 8.858 0.219 18833 8773 1 17 . 1 1 73 73 LYS N N 73 116.672 116.672 118.536 -1.864 18833 8774 1 17 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.768 -0.012 18833 8775 1 17 . 1 1 73 73 LYS C C 73 178.603 178.603 178.654 -0.051 18833 8776 1 17 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.443 0.579 18833 8777 1 17 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.421 1.039 18833 8778 1 17 . 1 1 73 73 LYS H H 73 8.473 8.473 7.916 0.557 18833 8779 1 17 . 1 1 74 74 GLN N N 74 116.558 116.558 119.431 -2.873 18833 8780 1 17 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.014 -0.082 18833 8781 1 17 . 1 1 74 74 GLN C C 74 179.891 179.891 178.660 1.231 18833 8782 1 17 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.447 0.124 18833 8783 1 17 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.488 -0.163 18833 8784 1 17 . 1 1 74 74 GLN H H 74 7.568 7.568 7.490 0.078 18833 8785 1 17 . 1 1 75 75 ALA N N 75 123.337 123.337 123.082 0.255 18833 8786 1 17 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.032 -0.238 18833 8787 1 17 . 1 1 75 75 ALA C C 75 178.309 178.309 179.524 -1.215 18833 8788 1 17 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.238 0.430 18833 8789 1 17 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.397 0.971 18833 8790 1 17 . 1 1 75 75 ALA H H 75 8.320 8.320 8.103 0.217 18833 8791 1 17 . 1 1 76 76 VAL N N 76 118.172 118.172 118.528 -0.356 18833 8792 1 17 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.652 -0.465 18833 8793 1 17 . 1 1 76 76 VAL C C 76 179.705 179.705 177.298 2.407 18833 8794 1 17 . 1 1 76 76 VAL CA C 76 67.152 67.152 67.198 -0.046 18833 8795 1 17 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.618 -0.443 18833 8796 1 17 . 1 1 76 76 VAL H H 76 8.122 8.122 7.794 0.328 18833 8797 1 17 . 1 1 77 77 CYS N N 77 116.979 116.979 118.855 -1.876 18833 8798 1 17 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.030 0.171 18833 8799 1 17 . 1 1 77 77 CYS C C 77 177.004 177.004 177.386 -0.382 18833 8800 1 17 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.030 -1.138 18833 8801 1 17 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.413 11.130 18833 8802 1 17 . 1 1 77 77 CYS H H 77 8.327 8.327 8.587 -0.260 18833 8803 1 17 . 1 1 78 78 THR N N 78 117.521 117.521 115.854 1.667 18833 8804 1 17 . 1 1 78 78 THR HA H 78 3.867 3.867 4.069 -0.202 18833 8805 1 17 . 1 1 78 78 THR C C 78 176.306 176.306 175.524 0.782 18833 8806 1 17 . 1 1 78 78 THR CA C 78 67.197 67.197 66.093 1.104 18833 8807 1 17 . 1 1 78 78 THR CB C 78 68.145 68.145 68.761 -0.616 18833 8808 1 17 . 1 1 78 78 THR H H 78 8.259 8.259 7.830 0.429 18833 8809 1 17 . 1 1 79 79 LEU N N 79 119.714 119.714 120.484 -0.770 18833 8810 1 17 . 1 1 79 79 LEU HA H 79 3.836 3.836 4.034 -0.198 18833 8811 1 17 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.639 0.311 18833 8812 1 17 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.647 -0.019 18833 8813 1 17 . 1 1 79 79 LEU H H 79 7.748 7.748 7.428 0.320 18833 8814 1 17 . 1 1 80 80 ARG N N 80 119.613 119.613 117.324 2.289 18833 8815 1 17 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.010 0.105 18833 8816 1 17 . 1 1 80 80 ARG C C 80 177.905 177.905 178.537 -0.632 18833 8817 1 17 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.560 -0.098 18833 8818 1 17 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.624 1.146 18833 8819 1 17 . 1 1 80 80 ARG H H 80 7.944 7.944 8.134 -0.190 18833 8820 1 17 . 1 1 81 81 ASN N N 81 119.257 119.257 118.952 0.305 18833 8821 1 17 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.832 0.129 18833 8822 1 17 . 1 1 81 81 ASN C C 81 175.030 175.030 174.212 0.818 18833 8823 1 17 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.007 -0.201 18833 8824 1 17 . 1 1 81 81 ASN CB C 81 37.454 37.454 38.040 -0.586 18833 8825 1 17 . 1 1 81 81 ASN H H 81 7.843 7.843 7.833 0.010 18833 8826 1 17 . 1 1 82 82 THR N N 82 109.817 109.817 111.993 -2.176 18833 8827 1 17 . 1 1 82 82 THR HA H 82 4.391 4.391 4.636 -0.245 18833 8828 1 17 . 1 1 82 82 THR C C 82 175.114 175.114 174.062 1.052 18833 8829 1 17 . 1 1 82 82 THR CA C 82 60.155 60.155 60.374 -0.219 18833 8830 1 17 . 1 1 82 82 THR CB C 82 72.327 72.327 71.804 0.523 18833 8831 1 17 . 1 1 82 82 THR H H 82 7.514 7.514 7.551 -0.037 18833 8832 1 17 . 1 1 83 83 GLY N N 83 109.536 109.536 108.452 1.084 18833 8833 1 17 . 1 1 83 83 GLY C C 83 173.492 173.492 174.837 -1.345 18833 8834 1 17 . 1 1 83 83 GLY CA C 83 44.126 44.126 45.032 -0.906 18833 8835 1 17 . 1 1 83 83 GLY H H 83 8.406 8.406 8.689 -0.283 18833 8836 1 17 . 1 1 84 84 GLN N N 84 117.293 117.293 119.100 -1.807 18833 8837 1 17 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.281 -0.313 18833 8838 1 17 . 1 1 84 84 GLN C C 84 175.351 175.351 175.129 0.222 18833 8839 1 17 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.948 0.564 18833 8840 1 17 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.244 -0.221 18833 8841 1 17 . 1 1 84 84 GLN H H 84 8.218 8.218 8.497 -0.279 18833 8842 1 17 . 1 1 85 85 VAL N N 85 116.238 116.238 117.320 -1.082 18833 8843 1 17 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.696 -0.004 18833 8844 1 17 . 1 1 85 85 VAL C C 85 175.864 175.864 175.512 0.352 18833 8845 1 17 . 1 1 85 85 VAL CA C 85 61.342 61.342 60.888 0.454 18833 8846 1 17 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.810 -0.436 18833 8847 1 17 . 1 1 85 85 VAL H H 85 7.715 7.715 7.716 -0.001 18833 8848 1 17 . 1 1 86 86 VAL N N 86 128.273 128.273 126.726 1.547 18833 8849 1 17 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.485 0.039 18833 8850 1 17 . 1 1 86 86 VAL C C 86 173.320 173.320 174.526 -1.206 18833 8851 1 17 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.935 -0.149 18833 8852 1 17 . 1 1 86 86 VAL CB C 86 35.105 35.105 34.395 0.710 18833 8853 1 17 . 1 1 86 86 VAL H H 86 9.034 9.034 8.902 0.132 18833 8854 1 17 . 1 1 87 87 HIS N N 87 126.224 126.224 126.636 -0.412 18833 8855 1 17 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.989 0.048 18833 8856 1 17 . 1 1 87 87 HIS C C 87 174.442 174.442 174.721 -0.279 18833 8857 1 17 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.721 0.037 18833 8858 1 17 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.575 1.926 18833 8859 1 17 . 1 1 87 87 HIS H H 87 8.761 8.761 9.039 -0.278 18833 8860 1 17 . 1 1 88 88 LEU N N 88 126.604 126.604 124.996 1.608 18833 8861 1 17 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.817 0.152 18833 8862 1 17 . 1 1 88 88 LEU C C 88 173.306 173.306 174.681 -1.375 18833 8863 1 17 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.760 -0.111 18833 8864 1 17 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.545 -0.257 18833 8865 1 17 . 1 1 88 88 LEU H H 88 9.045 9.045 9.270 -0.225 18833 8866 1 17 . 1 1 89 89 LEU N N 89 124.501 124.501 122.481 2.020 18833 8867 1 17 . 1 1 89 89 LEU HA H 89 4.721 4.721 5.107 -0.386 18833 8868 1 17 . 1 1 89 89 LEU C C 89 175.180 175.180 175.247 -0.067 18833 8869 1 17 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.669 0.069 18833 8870 1 17 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.228 1.138 18833 8871 1 17 . 1 1 89 89 LEU H H 89 7.977 7.977 8.069 -0.092 18833 8872 1 17 . 1 1 90 90 LEU N N 90 127.520 127.520 122.978 4.542 18833 8873 1 17 . 1 1 90 90 LEU HA H 90 5.289 5.289 5.043 0.246 18833 8874 1 17 . 1 1 90 90 LEU C C 90 173.616 173.616 174.692 -1.076 18833 8875 1 17 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.520 0.635 18833 8876 1 17 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.300 -0.280 18833 8877 1 17 . 1 1 90 90 LEU H H 90 8.896 8.896 8.852 0.044 18833 8878 1 17 . 1 1 91 91 GLU N N 91 118.964 118.964 120.636 -1.672 18833 8879 1 17 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.193 -0.107 18833 8880 1 17 . 1 1 91 91 GLU C C 91 176.652 176.652 175.956 0.696 18833 8881 1 17 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.219 -0.401 18833 8882 1 17 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.550 0.356 18833 8883 1 17 . 1 1 91 91 GLU H H 91 8.825 8.825 9.063 -0.239 18833 8884 1 17 . 1 1 92 92 LYS N N 92 128.805 128.805 125.736 3.069 18833 8885 1 17 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.520 -0.151 18833 8886 1 17 . 1 1 92 92 LYS C C 92 178.011 178.011 176.477 1.534 18833 8887 1 17 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.937 -0.597 18833 8888 1 17 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.264 -1.195 18833 8889 1 17 . 1 1 92 92 LYS H H 92 9.333 9.333 9.073 0.260 18833 8890 1 17 . 1 1 93 93 GLY N N 93 117.774 117.774 108.794 8.980 18833 8891 1 17 . 1 1 93 93 GLY C C 93 173.157 173.157 173.752 -0.595 18833 8892 1 17 . 1 1 93 93 GLY CA C 93 45.175 45.175 45.160 0.015 18833 8893 1 17 . 1 1 93 93 GLY H H 93 9.735 9.735 8.818 0.917 18833 8894 1 17 . 1 1 94 94 GLN N N 94 116.912 116.912 118.150 -1.238 18833 8895 1 17 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.375 -0.111 18833 8896 1 17 . 1 1 94 94 GLN C C 94 175.955 175.955 175.321 0.634 18833 8897 1 17 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.570 0.931 18833 8898 1 17 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.251 0.467 18833 8899 1 17 . 1 1 94 94 GLN H H 94 8.243 8.243 8.053 0.190 18833 8900 1 17 . 1 1 95 95 SER N N 95 118.157 118.157 116.449 1.708 18833 8901 1 17 . 1 1 95 95 SER HA H 95 4.662 4.662 4.683 -0.021 18833 8902 1 17 . 1 1 95 95 SER CA C 95 56.615 56.615 56.248 0.367 18833 8903 1 17 . 1 1 95 95 SER CB C 95 63.203 63.203 63.204 -0.001 18833 8904 1 17 . 1 1 95 95 SER H H 95 8.396 8.396 8.304 0.092 18833 8905 1 17 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.469 0.008 18833 8906 1 17 . 1 1 96 96 PRO C C 96 176.303 176.303 175.920 0.383 18833 8907 1 17 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.785 0.729 18833 8908 1 17 . 1 1 96 96 PRO CB C 96 31.929 31.929 30.454 1.475 18833 8909 1 18 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.318 0.154 18833 8910 1 18 . 1 1 2 2 PRO C C 2 175.867 175.867 175.868 -0.001 18833 8911 1 18 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.647 0.193 18833 8912 1 18 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.204 0.109 18833 8913 1 18 . 1 1 3 3 LYS N N 3 124.698 124.698 121.025 3.673 18833 8914 1 18 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.460 0.147 18833 8915 1 18 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.827 -1.220 18833 8916 1 18 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.050 -0.463 18833 8917 1 18 . 1 1 3 3 LYS H H 3 8.933 8.933 8.799 0.134 18833 8918 1 18 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.242 -0.301 18833 8919 1 18 . 1 1 4 4 PRO C C 4 177.504 177.504 177.591 -0.087 18833 8920 1 18 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.496 0.016 18833 8921 1 18 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.477 0.193 18833 8922 1 18 . 1 1 5 5 GLY N N 5 113.652 113.652 113.128 0.524 18833 8923 1 18 . 1 1 5 5 GLY C C 5 174.146 174.146 174.548 -0.402 18833 8924 1 18 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.825 0.247 18833 8925 1 18 . 1 1 5 5 GLY H H 5 9.014 9.014 8.572 0.442 18833 8926 1 18 . 1 1 6 6 ASP N N 6 121.766 121.766 123.267 -1.501 18833 8927 1 18 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.710 -0.039 18833 8928 1 18 . 1 1 6 6 ASP C C 6 175.762 175.762 175.867 -0.105 18833 8929 1 18 . 1 1 6 6 ASP CA C 6 54.899 54.899 55.234 -0.335 18833 8930 1 18 . 1 1 6 6 ASP CB C 6 41.406 41.406 41.574 -0.168 18833 8931 1 18 . 1 1 6 6 ASP H H 6 8.489 8.489 7.999 0.490 18833 8932 1 18 . 1 1 7 7 ILE N N 7 121.794 121.794 122.884 -1.090 18833 8933 1 18 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.652 0.681 18833 8934 1 18 . 1 1 7 7 ILE C C 7 176.854 176.854 176.358 0.496 18833 8935 1 18 . 1 1 7 7 ILE CA C 7 59.632 59.632 61.336 -1.704 18833 8936 1 18 . 1 1 7 7 ILE CB C 7 38.215 38.215 38.810 -0.595 18833 8937 1 18 . 1 1 7 7 ILE H H 7 8.368 8.368 8.466 -0.098 18833 8938 1 18 . 1 1 8 8 PHE N N 8 125.873 125.873 125.406 0.467 18833 8939 1 18 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.073 -0.009 18833 8940 1 18 . 1 1 8 8 PHE C C 8 171.167 171.167 173.502 -2.335 18833 8941 1 18 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.403 0.147 18833 8942 1 18 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.542 -0.209 18833 8943 1 18 . 1 1 8 8 PHE H H 8 9.498 9.498 9.171 0.327 18833 8944 1 18 . 1 1 9 9 GLU N N 9 119.065 119.065 121.629 -2.564 18833 8945 1 18 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.883 0.332 18833 8946 1 18 . 1 1 9 9 GLU C C 9 176.019 176.019 175.820 0.199 18833 8947 1 18 . 1 1 9 9 GLU CA C 9 53.989 53.989 54.976 -0.987 18833 8948 1 18 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.866 1.546 18833 8949 1 18 . 1 1 9 9 GLU H H 9 8.502 8.502 8.497 0.005 18833 8950 1 18 . 1 1 10 10 VAL N N 10 120.078 120.078 123.815 -3.737 18833 8951 1 18 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.423 -0.288 18833 8952 1 18 . 1 1 10 10 VAL C C 10 173.177 173.177 174.589 -1.412 18833 8953 1 18 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.607 0.506 18833 8954 1 18 . 1 1 10 10 VAL CB C 10 36.781 36.781 34.313 2.468 18833 8955 1 18 . 1 1 10 10 VAL H H 10 8.581 8.581 8.925 -0.344 18833 8956 1 18 . 1 1 11 11 GLU N N 11 126.482 126.482 127.159 -0.677 18833 8957 1 18 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.260 -0.261 18833 8958 1 18 . 1 1 11 11 GLU C C 11 174.618 174.618 175.055 -0.437 18833 8959 1 18 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.650 0.164 18833 8960 1 18 . 1 1 11 11 GLU CB C 11 31.008 31.008 31.250 -0.242 18833 8961 1 18 . 1 1 11 11 GLU H H 11 7.810 7.810 8.617 -0.807 18833 8962 1 18 . 1 1 12 12 LEU N N 12 126.093 126.093 126.195 -0.102 18833 8963 1 18 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.734 -0.080 18833 8964 1 18 . 1 1 12 12 LEU C C 12 174.013 174.013 174.995 -0.982 18833 8965 1 18 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.541 -0.367 18833 8966 1 18 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.456 1.410 18833 8967 1 18 . 1 1 12 12 LEU H H 12 8.888 8.888 8.706 0.182 18833 8968 1 18 . 1 1 13 13 ALA N N 13 126.137 126.137 128.197 -2.060 18833 8969 1 18 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.941 0.160 18833 8970 1 18 . 1 1 13 13 ALA C C 13 177.290 177.290 177.054 0.236 18833 8971 1 18 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.191 -1.308 18833 8972 1 18 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.528 -1.119 18833 8973 1 18 . 1 1 13 13 ALA H H 13 8.494 8.494 8.508 -0.014 18833 8974 1 18 . 1 1 14 14 LYS N N 14 120.270 120.270 121.401 -1.131 18833 8975 1 18 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.544 -0.746 18833 8976 1 18 . 1 1 14 14 LYS C C 14 176.313 176.313 176.501 -0.188 18833 8977 1 18 . 1 1 14 14 LYS CA C 14 57.798 57.798 54.763 3.035 18833 8978 1 18 . 1 1 14 14 LYS CB C 14 33.913 33.913 32.455 1.458 18833 8979 1 18 . 1 1 14 14 LYS H H 14 8.486 8.486 8.586 -0.100 18833 8980 1 18 . 1 1 15 15 ASN N N 15 117.746 117.746 118.677 -0.931 18833 8981 1 18 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.682 0.142 18833 8982 1 18 . 1 1 15 15 ASN CA C 15 52.779 52.779 53.504 -0.725 18833 8983 1 18 . 1 1 15 15 ASN CB C 15 40.122 40.122 37.054 3.068 18833 8984 1 18 . 1 1 15 15 ASN H H 15 8.139 8.139 8.335 -0.196 18833 8985 1 18 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.747 -0.446 18833 8986 1 18 . 1 1 16 16 ASP C C 16 175.367 175.367 175.113 0.254 18833 8987 1 18 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.314 1.138 18833 8988 1 18 . 1 1 16 16 ASP CB C 16 39.456 39.456 42.713 -3.257 18833 8989 1 18 . 1 1 17 17 ASN N N 17 111.793 111.793 117.592 -5.799 18833 8990 1 18 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.835 -0.455 18833 8991 1 18 . 1 1 17 17 ASN C C 17 174.599 174.599 175.214 -0.615 18833 8992 1 18 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.580 0.213 18833 8993 1 18 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.864 -2.148 18833 8994 1 18 . 1 1 17 17 ASN H H 17 8.698 8.698 8.462 0.236 18833 8995 1 18 . 1 1 18 18 SER N N 18 112.321 112.321 118.975 -6.654 18833 8996 1 18 . 1 1 18 18 SER HA H 18 4.827 4.827 4.525 0.302 18833 8997 1 18 . 1 1 18 18 SER CA C 18 56.795 56.795 58.660 -1.865 18833 8998 1 18 . 1 1 18 18 SER CB C 18 64.855 64.855 63.250 1.605 18833 8999 1 18 . 1 1 18 18 SER H H 18 7.989 7.989 8.231 -0.242 18833 9000 1 18 . 1 1 19 19 LEU N N 19 127.097 127.097 127.307 -0.210 18833 9001 1 18 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.235 -0.069 18833 9002 1 18 . 1 1 19 19 LEU C C 19 177.329 177.329 177.878 -0.549 18833 9003 1 18 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.407 0.106 18833 9004 1 18 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.004 1.315 18833 9005 1 18 . 1 1 19 19 LEU H H 19 9.247 9.247 8.217 1.030 18833 9006 1 18 . 1 1 20 20 GLY N N 20 104.340 104.340 105.577 -1.237 18833 9007 1 18 . 1 1 20 20 GLY C C 20 175.984 175.984 173.746 2.238 18833 9008 1 18 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.391 1.408 18833 9009 1 18 . 1 1 20 20 GLY H H 20 8.664 8.664 8.511 0.153 18833 9010 1 18 . 1 1 21 21 ILE N N 21 115.279 115.279 117.767 -2.488 18833 9011 1 18 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.195 -0.199 18833 9012 1 18 . 1 1 21 21 ILE C C 21 175.972 175.972 175.606 0.366 18833 9013 1 18 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.737 0.044 18833 9014 1 18 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.275 1.347 18833 9015 1 18 . 1 1 21 21 ILE H H 21 7.614 7.614 7.754 -0.140 18833 9016 1 18 . 1 1 22 22 CYS N N 22 122.210 122.210 121.870 0.340 18833 9017 1 18 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.056 0.215 18833 9018 1 18 . 1 1 22 22 CYS C C 22 175.904 175.904 173.081 2.823 18833 9019 1 18 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.462 -5.517 18833 9020 1 18 . 1 1 22 22 CYS CB C 22 35.192 35.192 30.980 4.212 18833 9021 1 18 . 1 1 22 22 CYS H H 22 8.506 8.506 8.432 0.074 18833 9022 1 18 . 1 1 23 23 VAL N N 23 117.739 117.739 115.142 2.597 18833 9023 1 18 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.377 0.090 18833 9024 1 18 . 1 1 23 23 VAL C C 23 173.821 173.821 174.222 -0.401 18833 9025 1 18 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.213 -0.393 18833 9026 1 18 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.683 0.072 18833 9027 1 18 . 1 1 23 23 VAL H H 23 9.203 9.203 8.453 0.750 18833 9028 1 18 . 1 1 24 24 THR N N 24 114.753 114.753 114.742 0.011 18833 9029 1 18 . 1 1 24 24 THR HA H 24 4.649 4.649 4.777 -0.128 18833 9030 1 18 . 1 1 24 24 THR C C 24 171.786 171.786 173.151 -1.365 18833 9031 1 18 . 1 1 24 24 THR CA C 24 59.529 59.529 59.630 -0.101 18833 9032 1 18 . 1 1 24 24 THR CB C 24 70.563 70.563 70.755 -0.192 18833 9033 1 18 . 1 1 24 24 THR H H 24 9.237 9.237 8.843 0.394 18833 9034 1 18 . 1 1 25 25 GLY N N 25 111.927 111.927 110.154 1.773 18833 9035 1 18 . 1 1 25 25 GLY C C 25 174.099 174.099 173.029 1.070 18833 9036 1 18 . 1 1 25 25 GLY CA C 25 44.612 44.612 45.043 -0.431 18833 9037 1 18 . 1 1 25 25 GLY H H 25 8.291 8.291 8.753 -0.462 18833 9038 1 18 . 1 1 26 26 GLY N N 26 107.140 107.140 110.304 -3.164 18833 9039 1 18 . 1 1 26 26 GLY C C 26 176.180 176.180 175.035 1.145 18833 9040 1 18 . 1 1 26 26 GLY CA C 26 43.803 43.803 46.388 -2.585 18833 9041 1 18 . 1 1 26 26 GLY H H 26 7.545 7.545 8.350 -0.805 18833 9042 1 18 . 1 1 27 27 VAL N N 27 116.837 116.837 120.005 -3.168 18833 9043 1 18 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.951 0.175 18833 9044 1 18 . 1 1 27 27 VAL C C 27 175.764 175.764 175.400 0.364 18833 9045 1 18 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.301 1.494 18833 9046 1 18 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.065 1.918 18833 9047 1 18 . 1 1 27 27 VAL H H 27 8.091 8.091 8.227 -0.136 18833 9048 1 18 . 1 1 28 28 ASN N N 28 117.997 117.997 115.483 2.514 18833 9049 1 18 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.463 0.346 18833 9050 1 18 . 1 1 28 28 ASN C C 28 174.860 174.860 174.382 0.478 18833 9051 1 18 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.926 -0.471 18833 9052 1 18 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.989 0.759 18833 9053 1 18 . 1 1 28 28 ASN H H 28 8.795 8.795 8.271 0.524 18833 9054 1 18 . 1 1 29 29 THR N N 29 111.381 111.381 113.730 -2.349 18833 9055 1 18 . 1 1 29 29 THR HA H 29 4.689 4.689 4.599 0.090 18833 9056 1 18 . 1 1 29 29 THR CA C 29 61.526 61.526 60.659 0.867 18833 9057 1 18 . 1 1 29 29 THR CB C 29 70.889 70.889 69.941 0.948 18833 9058 1 18 . 1 1 29 29 THR H H 29 7.858 7.858 8.134 -0.276 18833 9059 1 18 . 1 1 30 30 SER N N 30 114.070 114.070 115.859 -1.789 18833 9060 1 18 . 1 1 30 30 SER HA H 30 4.535 4.535 4.124 0.411 18833 9061 1 18 . 1 1 30 30 SER C C 30 174.879 174.879 174.510 0.369 18833 9062 1 18 . 1 1 30 30 SER CA C 30 58.380 58.380 60.316 -1.937 18833 9063 1 18 . 1 1 30 30 SER CB C 30 63.532 63.532 63.069 0.463 18833 9064 1 18 . 1 1 30 30 SER H H 30 8.433 8.433 8.650 -0.217 18833 9065 1 18 . 1 1 31 31 VAL N N 31 118.337 118.337 115.637 2.700 18833 9066 1 18 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.116 -0.025 18833 9067 1 18 . 1 1 31 31 VAL C C 31 176.528 176.528 176.308 0.220 18833 9068 1 18 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.267 0.878 18833 9069 1 18 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.436 0.064 18833 9070 1 18 . 1 1 31 31 VAL H H 31 7.588 7.588 7.400 0.188 18833 9071 1 18 . 1 1 32 32 ARG N N 32 124.670 124.670 127.483 -2.813 18833 9072 1 18 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.175 -0.164 18833 9073 1 18 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.654 -0.682 18833 9074 1 18 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.170 -0.595 18833 9075 1 18 . 1 1 32 32 ARG H H 32 8.511 8.511 8.709 -0.198 18833 9076 1 18 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.558 0.015 18833 9077 1 18 . 1 1 33 33 HIS C C 33 175.064 175.064 175.781 -0.717 18833 9078 1 18 . 1 1 33 33 HIS CA C 33 56.831 56.831 55.892 0.939 18833 9079 1 18 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.898 -0.780 18833 9080 1 18 . 1 1 34 34 GLY N N 34 109.531 109.531 108.185 1.346 18833 9081 1 18 . 1 1 34 34 GLY C C 34 174.582 174.582 174.010 0.572 18833 9082 1 18 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.594 0.987 18833 9083 1 18 . 1 1 34 34 GLY H H 34 8.471 8.471 7.675 0.796 18833 9084 1 18 . 1 1 35 35 GLY N N 35 105.151 105.151 106.207 -1.056 18833 9085 1 18 . 1 1 35 35 GLY C C 35 170.505 170.505 173.824 -3.319 18833 9086 1 18 . 1 1 35 35 GLY CA C 35 44.577 44.577 44.000 0.577 18833 9087 1 18 . 1 1 35 35 GLY H H 35 7.833 7.833 7.760 0.073 18833 9088 1 18 . 1 1 36 36 ILE N N 36 119.676 119.676 122.003 -2.327 18833 9089 1 18 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.867 -0.155 18833 9090 1 18 . 1 1 36 36 ILE C C 36 174.641 174.641 175.073 -0.432 18833 9091 1 18 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.827 -2.743 18833 9092 1 18 . 1 1 36 36 ILE CB C 36 35.732 35.732 37.064 -1.332 18833 9093 1 18 . 1 1 36 36 ILE H H 36 8.350 8.350 7.717 0.633 18833 9094 1 18 . 1 1 37 37 TYR N N 37 123.307 123.307 127.262 -3.955 18833 9095 1 18 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.194 0.114 18833 9096 1 18 . 1 1 37 37 TYR C C 37 176.165 176.165 175.897 0.268 18833 9097 1 18 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.400 -0.553 18833 9098 1 18 . 1 1 37 37 TYR CB C 37 42.329 42.329 41.835 0.494 18833 9099 1 18 . 1 1 37 37 TYR H H 37 8.892 8.892 9.321 -0.429 18833 9100 1 18 . 1 1 38 38 VAL N N 38 120.580 120.580 122.519 -1.939 18833 9101 1 18 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.063 -0.327 18833 9102 1 18 . 1 1 38 38 VAL C C 38 175.983 175.983 176.302 -0.319 18833 9103 1 18 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.591 0.079 18833 9104 1 18 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.428 0.100 18833 9105 1 18 . 1 1 38 38 VAL H H 38 9.365 9.365 8.863 0.502 18833 9106 1 18 . 1 1 39 39 LYS N N 39 133.297 133.297 128.477 4.820 18833 9107 1 18 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.501 -0.116 18833 9108 1 18 . 1 1 39 39 LYS C C 39 174.520 174.520 175.230 -0.710 18833 9109 1 18 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.241 0.268 18833 9110 1 18 . 1 1 39 39 LYS CB C 39 34.634 34.634 35.254 -0.620 18833 9111 1 18 . 1 1 39 39 LYS H H 39 9.560 9.560 8.863 0.697 18833 9112 1 18 . 1 1 40 40 ALA N N 40 118.155 118.155 121.274 -3.119 18833 9113 1 18 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.694 -0.189 18833 9114 1 18 . 1 1 40 40 ALA C C 40 174.639 174.639 175.029 -0.390 18833 9115 1 18 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.363 0.432 18833 9116 1 18 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.748 0.732 18833 9117 1 18 . 1 1 40 40 ALA H H 40 7.498 7.498 7.488 0.010 18833 9118 1 18 . 1 1 41 41 VAL N N 41 121.634 121.634 122.108 -0.474 18833 9119 1 18 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.752 -0.343 18833 9120 1 18 . 1 1 41 41 VAL C C 41 175.829 175.829 175.745 0.084 18833 9121 1 18 . 1 1 41 41 VAL CA C 41 61.304 61.304 61.158 0.145 18833 9122 1 18 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.759 -2.564 18833 9123 1 18 . 1 1 41 41 VAL H H 41 8.634 8.634 8.330 0.304 18833 9124 1 18 . 1 1 42 42 ILE N N 42 128.094 128.094 128.608 -0.514 18833 9125 1 18 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.298 -0.152 18833 9126 1 18 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.395 -0.749 18833 9127 1 18 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.385 -0.380 18833 9128 1 18 . 1 1 42 42 ILE H H 42 7.944 7.944 8.664 -0.720 18833 9129 1 18 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.669 -0.218 18833 9130 1 18 . 1 1 43 43 PRO C C 43 177.234 177.234 176.457 0.777 18833 9131 1 18 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.353 0.844 18833 9132 1 18 . 1 1 43 43 PRO CB C 43 31.845 31.845 30.969 0.876 18833 9133 1 18 . 1 1 44 44 GLN N N 44 116.825 116.825 116.401 0.424 18833 9134 1 18 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.872 -0.023 18833 9135 1 18 . 1 1 44 44 GLN C C 44 175.752 175.752 175.582 0.170 18833 9136 1 18 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.526 1.606 18833 9137 1 18 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.817 -0.343 18833 9138 1 18 . 1 1 44 44 GLN H H 44 9.345 9.345 8.603 0.742 18833 9139 1 18 . 1 1 45 45 GLY N N 45 106.186 106.186 104.833 1.353 18833 9140 1 18 . 1 1 45 45 GLY C C 45 174.374 174.374 174.291 0.083 18833 9141 1 18 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.099 0.625 18833 9142 1 18 . 1 1 45 45 GLY H H 45 7.887 7.887 7.806 0.081 18833 9143 1 18 . 1 1 46 46 ALA N N 46 120.843 120.843 124.469 -3.626 18833 9144 1 18 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.933 0.126 18833 9145 1 18 . 1 1 46 46 ALA C C 46 180.628 180.628 179.222 1.406 18833 9146 1 18 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.488 -0.453 18833 9147 1 18 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.787 -0.165 18833 9148 1 18 . 1 1 46 46 ALA H H 46 8.907 8.907 8.624 0.283 18833 9149 1 18 . 1 1 47 47 ALA N N 47 118.721 118.721 120.278 -1.557 18833 9150 1 18 . 1 1 47 47 ALA HA H 47 4.071 4.071 4.001 0.070 18833 9151 1 18 . 1 1 47 47 ALA C C 47 180.589 180.589 179.469 1.120 18833 9152 1 18 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.134 -0.288 18833 9153 1 18 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.096 0.673 18833 9154 1 18 . 1 1 47 47 ALA H H 47 7.856 7.856 7.909 -0.053 18833 9155 1 18 . 1 1 48 48 GLU N N 48 124.373 124.373 119.212 5.161 18833 9156 1 18 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.120 -0.311 18833 9157 1 18 . 1 1 48 48 GLU C C 48 178.120 178.120 179.065 -0.945 18833 9158 1 18 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.927 0.930 18833 9159 1 18 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.591 0.028 18833 9160 1 18 . 1 1 48 48 GLU H H 48 9.195 9.195 8.188 1.007 18833 9161 1 18 . 1 1 49 49 SER N N 49 113.220 113.220 114.334 -1.114 18833 9162 1 18 . 1 1 49 49 SER HA H 49 4.099 4.099 4.185 -0.086 18833 9163 1 18 . 1 1 49 49 SER C C 49 175.707 175.707 176.260 -0.553 18833 9164 1 18 . 1 1 49 49 SER CA C 49 61.168 61.168 60.739 0.429 18833 9165 1 18 . 1 1 49 49 SER CB C 49 62.775 62.775 63.233 -0.458 18833 9166 1 18 . 1 1 49 49 SER H H 49 8.020 8.020 8.445 -0.425 18833 9167 1 18 . 1 1 50 50 ASP N N 50 120.022 120.022 119.907 0.115 18833 9168 1 18 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.510 -0.130 18833 9169 1 18 . 1 1 50 50 ASP C C 50 177.650 177.650 177.487 0.163 18833 9170 1 18 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.672 1.525 18833 9171 1 18 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.597 2.638 18833 9172 1 18 . 1 1 50 50 ASP H H 50 7.579 7.579 7.659 -0.080 18833 9173 1 18 . 1 1 51 51 GLY N N 51 102.979 102.979 106.248 -3.269 18833 9174 1 18 . 1 1 51 51 GLY C C 51 175.026 175.026 175.437 -0.411 18833 9175 1 18 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.500 0.846 18833 9176 1 18 . 1 1 51 51 GLY H H 51 7.364 7.364 8.055 -0.691 18833 9177 1 18 . 1 1 52 52 ARG N N 52 117.501 117.501 119.842 -2.341 18833 9178 1 18 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.284 0.024 18833 9179 1 18 . 1 1 52 52 ARG C C 52 175.898 175.898 176.513 -0.615 18833 9180 1 18 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.999 -0.095 18833 9181 1 18 . 1 1 52 52 ARG CB C 52 32.999 32.999 31.069 1.930 18833 9182 1 18 . 1 1 52 52 ARG H H 52 7.958 7.958 7.895 0.063 18833 9183 1 18 . 1 1 53 53 ILE N N 53 120.028 120.028 118.396 1.632 18833 9184 1 18 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.311 -0.079 18833 9185 1 18 . 1 1 53 53 ILE C C 53 173.773 173.773 174.782 -1.009 18833 9186 1 18 . 1 1 53 53 ILE CA C 53 61.429 61.429 61.064 0.365 18833 9187 1 18 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.751 0.948 18833 9188 1 18 . 1 1 53 53 ILE H H 53 8.223 8.223 7.731 0.492 18833 9189 1 18 . 1 1 54 54 HIS N N 54 123.681 123.681 122.437 1.244 18833 9190 1 18 . 1 1 54 54 HIS HA H 54 4.801 4.801 5.094 -0.293 18833 9191 1 18 . 1 1 54 54 HIS C C 54 173.826 173.826 173.767 0.059 18833 9192 1 18 . 1 1 54 54 HIS CA C 54 54.885 54.885 53.783 1.102 18833 9193 1 18 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.023 1.476 18833 9194 1 18 . 1 1 54 54 HIS H H 54 9.073 9.073 9.305 -0.232 18833 9195 1 18 . 1 1 55 55 LYS N N 55 120.814 120.814 121.793 -0.979 18833 9196 1 18 . 1 1 55 55 LYS HA H 55 3.610 3.610 3.927 -0.317 18833 9197 1 18 . 1 1 55 55 LYS C C 55 177.014 177.014 176.801 0.213 18833 9198 1 18 . 1 1 55 55 LYS CA C 55 58.433 58.433 58.092 0.341 18833 9199 1 18 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.444 -0.084 18833 9200 1 18 . 1 1 55 55 LYS H H 55 8.715 8.715 8.775 -0.060 18833 9201 1 18 . 1 1 56 56 GLY N N 56 114.423 114.423 114.883 -0.460 18833 9202 1 18 . 1 1 56 56 GLY C C 56 174.469 174.469 174.453 0.016 18833 9203 1 18 . 1 1 56 56 GLY CA C 56 44.838 44.838 44.900 -0.062 18833 9204 1 18 . 1 1 56 56 GLY H H 56 9.128 9.128 8.429 0.699 18833 9205 1 18 . 1 1 57 57 ASP N N 57 121.735 121.735 122.624 -0.889 18833 9206 1 18 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.600 0.283 18833 9207 1 18 . 1 1 57 57 ASP C C 57 174.808 174.808 174.586 0.222 18833 9208 1 18 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.637 0.190 18833 9209 1 18 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.811 -0.756 18833 9210 1 18 . 1 1 57 57 ASP H H 57 8.033 8.033 7.615 0.418 18833 9211 1 18 . 1 1 58 58 ARG N N 58 123.530 123.530 121.724 1.806 18833 9212 1 18 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.402 0.236 18833 9213 1 18 . 1 1 58 58 ARG C C 58 175.641 175.641 174.518 1.123 18833 9214 1 18 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.727 -0.027 18833 9215 1 18 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.934 1.697 18833 9216 1 18 . 1 1 58 58 ARG H H 58 9.097 9.097 8.451 0.646 18833 9217 1 18 . 1 1 59 59 VAL N N 59 126.202 126.202 124.427 1.775 18833 9218 1 18 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.397 -0.492 18833 9219 1 18 . 1 1 59 59 VAL C C 59 174.515 174.515 175.144 -0.629 18833 9220 1 18 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.550 0.602 18833 9221 1 18 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.031 -1.957 18833 9222 1 18 . 1 1 59 59 VAL H H 59 8.898 8.898 8.711 0.187 18833 9223 1 18 . 1 1 60 60 LEU N N 60 127.209 127.209 121.714 5.495 18833 9224 1 18 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.910 -0.590 18833 9225 1 18 . 1 1 60 60 LEU C C 60 178.352 178.352 176.080 2.272 18833 9226 1 18 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.999 1.162 18833 9227 1 18 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.397 -0.772 18833 9228 1 18 . 1 1 60 60 LEU H H 60 9.193 9.193 8.751 0.442 18833 9229 1 18 . 1 1 61 61 ALA N N 61 118.965 118.965 119.904 -0.939 18833 9230 1 18 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.389 -0.450 18833 9231 1 18 . 1 1 61 61 ALA C C 61 175.332 175.332 175.378 -0.046 18833 9232 1 18 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.194 2.098 18833 9233 1 18 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.768 -0.682 18833 9234 1 18 . 1 1 61 61 ALA H H 61 7.759 7.759 7.414 0.345 18833 9235 1 18 . 1 1 62 62 VAL N N 62 119.695 119.695 119.147 0.548 18833 9236 1 18 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.608 -0.124 18833 9237 1 18 . 1 1 62 62 VAL C C 62 175.538 175.538 175.959 -0.421 18833 9238 1 18 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.396 -0.859 18833 9239 1 18 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.300 -0.339 18833 9240 1 18 . 1 1 62 62 VAL H H 62 8.218 8.218 8.175 0.043 18833 9241 1 18 . 1 1 63 63 ASN N N 63 128.940 128.940 127.932 1.008 18833 9242 1 18 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.388 0.183 18833 9243 1 18 . 1 1 63 63 ASN C C 63 175.155 175.155 175.617 -0.462 18833 9244 1 18 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.329 0.130 18833 9245 1 18 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.139 -1.220 18833 9246 1 18 . 1 1 63 63 ASN H H 63 10.387 10.387 9.418 0.969 18833 9247 1 18 . 1 1 64 64 GLY N N 64 103.432 103.432 102.147 1.285 18833 9248 1 18 . 1 1 64 64 GLY C C 64 173.902 173.902 174.081 -0.179 18833 9249 1 18 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.096 0.101 18833 9250 1 18 . 1 1 64 64 GLY H H 64 9.094 9.094 8.613 0.481 18833 9251 1 18 . 1 1 65 65 VAL N N 65 123.418 123.418 121.961 1.457 18833 9252 1 18 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.204 -0.228 18833 9253 1 18 . 1 1 65 65 VAL C C 65 175.675 175.675 175.412 0.263 18833 9254 1 18 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.052 1.010 18833 9255 1 18 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.841 -1.012 18833 9256 1 18 . 1 1 65 65 VAL H H 65 7.948 7.948 7.762 0.186 18833 9257 1 18 . 1 1 66 66 SER N N 66 121.122 121.122 124.043 -2.921 18833 9258 1 18 . 1 1 66 66 SER HA H 66 4.365 4.365 4.480 -0.115 18833 9259 1 18 . 1 1 66 66 SER C C 66 176.402 176.402 174.886 1.516 18833 9260 1 18 . 1 1 66 66 SER CA C 66 58.310 58.310 58.865 -0.555 18833 9261 1 18 . 1 1 66 66 SER CB C 66 63.651 63.651 63.159 0.492 18833 9262 1 18 . 1 1 66 66 SER H H 66 8.671 8.671 8.751 -0.080 18833 9263 1 18 . 1 1 67 67 LEU N N 67 125.351 125.351 125.804 -0.453 18833 9264 1 18 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.251 0.189 18833 9265 1 18 . 1 1 67 67 LEU C C 67 176.359 176.359 177.520 -1.161 18833 9266 1 18 . 1 1 67 67 LEU CA C 67 53.867 53.867 56.430 -2.563 18833 9267 1 18 . 1 1 67 67 LEU CB C 67 40.981 40.981 42.056 -1.075 18833 9268 1 18 . 1 1 67 67 LEU H H 67 8.205 8.205 8.208 -0.003 18833 9269 1 18 . 1 1 68 68 GLU N N 68 123.211 123.211 118.409 4.802 18833 9270 1 18 . 1 1 68 68 GLU HA H 68 4.046 4.046 3.957 0.089 18833 9271 1 18 . 1 1 68 68 GLU C C 68 177.820 177.820 177.642 0.178 18833 9272 1 18 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.954 0.581 18833 9273 1 18 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.637 -0.557 18833 9274 1 18 . 1 1 68 68 GLU H H 68 8.300 8.300 7.802 0.498 18833 9275 1 18 . 1 1 69 69 GLY N N 69 115.507 115.507 111.726 3.781 18833 9276 1 18 . 1 1 69 69 GLY C C 69 173.652 173.652 174.277 -0.625 18833 9277 1 18 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.841 0.506 18833 9278 1 18 . 1 1 69 69 GLY H H 69 8.945 8.945 9.034 -0.089 18833 9279 1 18 . 1 1 70 70 ALA N N 70 122.308 122.308 125.008 -2.700 18833 9280 1 18 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.465 0.025 18833 9281 1 18 . 1 1 70 70 ALA C C 70 179.583 179.583 176.607 2.976 18833 9282 1 18 . 1 1 70 70 ALA CA C 70 52.484 52.484 51.998 0.486 18833 9283 1 18 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.820 -0.232 18833 9284 1 18 . 1 1 70 70 ALA H H 70 7.882 7.882 7.788 0.094 18833 9285 1 18 . 1 1 71 71 THR N N 71 111.173 111.173 111.424 -0.251 18833 9286 1 18 . 1 1 71 71 THR HA H 71 4.526 4.526 4.345 0.181 18833 9287 1 18 . 1 1 71 71 THR C C 71 174.660 174.660 175.824 -1.164 18833 9288 1 18 . 1 1 71 71 THR CA C 71 60.732 60.732 60.958 -0.226 18833 9289 1 18 . 1 1 71 71 THR CB C 71 71.196 71.196 70.438 0.758 18833 9290 1 18 . 1 1 71 71 THR H H 71 8.185 8.185 7.977 0.208 18833 9291 1 18 . 1 1 72 72 HIS N N 72 121.107 121.107 119.917 1.190 18833 9292 1 18 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.498 -0.497 18833 9293 1 18 . 1 1 72 72 HIS C C 72 176.702 176.702 177.382 -0.680 18833 9294 1 18 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.399 2.053 18833 9295 1 18 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.038 1.271 18833 9296 1 18 . 1 1 72 72 HIS H H 72 9.077 9.077 8.924 0.153 18833 9297 1 18 . 1 1 73 73 LYS N N 73 116.672 116.672 118.965 -2.293 18833 9298 1 18 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.697 0.059 18833 9299 1 18 . 1 1 73 73 LYS C C 73 178.603 178.603 178.945 -0.342 18833 9300 1 18 . 1 1 73 73 LYS CA C 73 60.022 60.022 60.203 -0.181 18833 9301 1 18 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.626 0.834 18833 9302 1 18 . 1 1 73 73 LYS H H 73 8.473 8.473 7.606 0.867 18833 9303 1 18 . 1 1 74 74 GLN N N 74 116.558 116.558 118.258 -1.700 18833 9304 1 18 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.034 -0.102 18833 9305 1 18 . 1 1 74 74 GLN C C 74 179.891 179.891 178.674 1.217 18833 9306 1 18 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.503 0.068 18833 9307 1 18 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.620 -0.295 18833 9308 1 18 . 1 1 74 74 GLN H H 74 7.568 7.568 7.652 -0.084 18833 9309 1 18 . 1 1 75 75 ALA N N 75 123.337 123.337 123.262 0.075 18833 9310 1 18 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.032 -0.238 18833 9311 1 18 . 1 1 75 75 ALA C C 75 178.309 178.309 179.423 -1.114 18833 9312 1 18 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.225 0.443 18833 9313 1 18 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.368 1.000 18833 9314 1 18 . 1 1 75 75 ALA H H 75 8.320 8.320 8.178 0.142 18833 9315 1 18 . 1 1 76 76 VAL N N 76 118.172 118.172 118.480 -0.308 18833 9316 1 18 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.705 -0.518 18833 9317 1 18 . 1 1 76 76 VAL C C 76 179.705 179.705 177.304 2.401 18833 9318 1 18 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.936 0.216 18833 9319 1 18 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.566 -0.391 18833 9320 1 18 . 1 1 76 76 VAL H H 76 8.122 8.122 7.887 0.235 18833 9321 1 18 . 1 1 77 77 CYS N N 77 116.979 116.979 118.727 -1.748 18833 9322 1 18 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.007 0.194 18833 9323 1 18 . 1 1 77 77 CYS C C 77 177.004 177.004 177.214 -0.210 18833 9324 1 18 . 1 1 77 77 CYS CA C 77 61.892 61.892 61.814 0.078 18833 9325 1 18 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.137 11.406 18833 9326 1 18 . 1 1 77 77 CYS H H 77 8.327 8.327 8.186 0.141 18833 9327 1 18 . 1 1 78 78 THR N N 78 117.521 117.521 116.331 1.190 18833 9328 1 18 . 1 1 78 78 THR HA H 78 3.867 3.867 4.039 -0.172 18833 9329 1 18 . 1 1 78 78 THR C C 78 176.306 176.306 177.073 -0.767 18833 9330 1 18 . 1 1 78 78 THR CA C 78 67.197 67.197 66.708 0.489 18833 9331 1 18 . 1 1 78 78 THR CB C 78 68.145 68.145 68.186 -0.041 18833 9332 1 18 . 1 1 78 78 THR H H 78 8.259 8.259 8.331 -0.072 18833 9333 1 18 . 1 1 79 79 LEU N N 79 119.714 119.714 122.603 -2.889 18833 9334 1 18 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.893 -0.057 18833 9335 1 18 . 1 1 79 79 LEU CA C 79 57.950 57.950 58.326 -0.376 18833 9336 1 18 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.121 0.507 18833 9337 1 18 . 1 1 79 79 LEU H H 79 7.748 7.748 7.507 0.241 18833 9338 1 18 . 1 1 80 80 ARG N N 80 119.613 119.613 115.610 4.003 18833 9339 1 18 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.024 0.091 18833 9340 1 18 . 1 1 80 80 ARG C C 80 177.905 177.905 177.445 0.460 18833 9341 1 18 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.871 -0.409 18833 9342 1 18 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.995 0.775 18833 9343 1 18 . 1 1 80 80 ARG H H 80 7.944 7.944 7.773 0.171 18833 9344 1 18 . 1 1 81 81 ASN N N 81 119.257 119.257 114.549 4.708 18833 9345 1 18 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.900 0.061 18833 9346 1 18 . 1 1 81 81 ASN C C 81 175.030 175.030 175.446 -0.416 18833 9347 1 18 . 1 1 81 81 ASN CA C 81 52.806 52.806 52.890 -0.084 18833 9348 1 18 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.307 -1.853 18833 9349 1 18 . 1 1 81 81 ASN H H 81 7.843 7.843 7.812 0.031 18833 9350 1 18 . 1 1 82 82 THR N N 82 109.817 109.817 114.176 -4.359 18833 9351 1 18 . 1 1 82 82 THR HA H 82 4.391 4.391 4.433 -0.042 18833 9352 1 18 . 1 1 82 82 THR C C 82 175.114 175.114 175.217 -0.103 18833 9353 1 18 . 1 1 82 82 THR CA C 82 60.155 60.155 62.195 -2.040 18833 9354 1 18 . 1 1 82 82 THR CB C 82 72.327 72.327 70.210 2.117 18833 9355 1 18 . 1 1 82 82 THR H H 82 7.514 7.514 7.631 -0.117 18833 9356 1 18 . 1 1 83 83 GLY N N 83 109.536 109.536 106.969 2.567 18833 9357 1 18 . 1 1 83 83 GLY C C 83 173.492 173.492 175.132 -1.640 18833 9358 1 18 . 1 1 83 83 GLY CA C 83 44.126 44.126 43.956 0.170 18833 9359 1 18 . 1 1 83 83 GLY H H 83 8.406 8.406 8.438 -0.032 18833 9360 1 18 . 1 1 84 84 GLN N N 84 117.293 117.293 117.452 -0.159 18833 9361 1 18 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.167 -0.199 18833 9362 1 18 . 1 1 84 84 GLN C C 84 175.351 175.351 175.404 -0.053 18833 9363 1 18 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.627 0.885 18833 9364 1 18 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.153 -0.130 18833 9365 1 18 . 1 1 84 84 GLN H H 84 8.218 8.218 8.567 -0.349 18833 9366 1 18 . 1 1 85 85 VAL N N 85 116.238 116.238 119.095 -2.857 18833 9367 1 18 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.498 0.194 18833 9368 1 18 . 1 1 85 85 VAL C C 85 175.864 175.864 174.754 1.110 18833 9369 1 18 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.489 -0.147 18833 9370 1 18 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.466 -0.092 18833 9371 1 18 . 1 1 85 85 VAL H H 85 7.715 7.715 7.608 0.107 18833 9372 1 18 . 1 1 86 86 VAL N N 86 128.273 128.273 126.230 2.043 18833 9373 1 18 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.337 0.187 18833 9374 1 18 . 1 1 86 86 VAL C C 86 173.320 173.320 174.292 -0.972 18833 9375 1 18 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.378 0.408 18833 9376 1 18 . 1 1 86 86 VAL CB C 86 35.105 35.105 36.070 -0.965 18833 9377 1 18 . 1 1 86 86 VAL H H 86 9.034 9.034 8.399 0.635 18833 9378 1 18 . 1 1 87 87 HIS N N 87 126.224 126.224 122.887 3.337 18833 9379 1 18 . 1 1 87 87 HIS HA H 87 5.037 5.037 5.028 0.009 18833 9380 1 18 . 1 1 87 87 HIS C C 87 174.442 174.442 174.448 -0.006 18833 9381 1 18 . 1 1 87 87 HIS CA C 87 55.758 55.758 54.437 1.321 18833 9382 1 18 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.883 0.618 18833 9383 1 18 . 1 1 87 87 HIS H H 87 8.761 8.761 8.615 0.146 18833 9384 1 18 . 1 1 88 88 LEU N N 88 126.604 126.604 124.509 2.095 18833 9385 1 18 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.836 0.133 18833 9386 1 18 . 1 1 88 88 LEU C C 88 173.306 173.306 174.560 -1.254 18833 9387 1 18 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.546 0.103 18833 9388 1 18 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.157 0.131 18833 9389 1 18 . 1 1 88 88 LEU H H 88 9.045 9.045 9.208 -0.163 18833 9390 1 18 . 1 1 89 89 LEU N N 89 124.501 124.501 124.211 0.290 18833 9391 1 18 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.749 -0.028 18833 9392 1 18 . 1 1 89 89 LEU C C 89 175.180 175.180 174.317 0.863 18833 9393 1 18 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.393 0.345 18833 9394 1 18 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.828 0.538 18833 9395 1 18 . 1 1 89 89 LEU H H 89 7.977 7.977 8.638 -0.661 18833 9396 1 18 . 1 1 90 90 LEU N N 90 127.520 127.520 125.782 1.738 18833 9397 1 18 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.875 0.414 18833 9398 1 18 . 1 1 90 90 LEU C C 90 173.616 173.616 174.511 -0.895 18833 9399 1 18 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.694 0.461 18833 9400 1 18 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.331 -0.311 18833 9401 1 18 . 1 1 90 90 LEU H H 90 8.896 8.896 8.704 0.192 18833 9402 1 18 . 1 1 91 91 GLU N N 91 118.964 118.964 120.405 -1.441 18833 9403 1 18 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.072 0.014 18833 9404 1 18 . 1 1 91 91 GLU C C 91 176.652 176.652 175.743 0.909 18833 9405 1 18 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.446 -0.628 18833 9406 1 18 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.459 0.447 18833 9407 1 18 . 1 1 91 91 GLU H H 91 8.825 8.825 8.058 0.767 18833 9408 1 18 . 1 1 92 92 LYS N N 92 128.805 128.805 125.598 3.207 18833 9409 1 18 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.573 -0.204 18833 9410 1 18 . 1 1 92 92 LYS C C 92 178.011 178.011 176.222 1.789 18833 9411 1 18 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.199 0.141 18833 9412 1 18 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.193 -1.124 18833 9413 1 18 . 1 1 92 92 LYS H H 92 9.333 9.333 9.115 0.218 18833 9414 1 18 . 1 1 93 93 GLY N N 93 117.774 117.774 109.108 8.666 18833 9415 1 18 . 1 1 93 93 GLY C C 93 173.157 173.157 173.826 -0.669 18833 9416 1 18 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.870 0.305 18833 9417 1 18 . 1 1 93 93 GLY H H 93 9.735 9.735 8.579 1.156 18833 9418 1 18 . 1 1 94 94 GLN N N 94 116.912 116.912 119.622 -2.710 18833 9419 1 18 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.748 -0.484 18833 9420 1 18 . 1 1 94 94 GLN C C 94 175.955 175.955 176.406 -0.451 18833 9421 1 18 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.495 0.006 18833 9422 1 18 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.451 0.267 18833 9423 1 18 . 1 1 94 94 GLN H H 94 8.243 8.243 8.250 -0.007 18833 9424 1 18 . 1 1 95 95 SER N N 95 118.157 118.157 121.249 -3.092 18833 9425 1 18 . 1 1 95 95 SER HA H 95 4.662 4.662 4.790 -0.128 18833 9426 1 18 . 1 1 95 95 SER CA C 95 56.615 56.615 57.168 -0.553 18833 9427 1 18 . 1 1 95 95 SER CB C 95 63.203 63.203 63.111 0.092 18833 9428 1 18 . 1 1 95 95 SER H H 95 8.396 8.396 8.472 -0.076 18833 9429 1 18 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.500 -0.023 18833 9430 1 18 . 1 1 96 96 PRO C C 96 176.303 176.303 176.325 -0.022 18833 9431 1 18 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.884 0.630 18833 9432 1 18 . 1 1 96 96 PRO CB C 96 31.929 31.929 32.123 -0.194 18833 9433 1 19 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.553 -0.081 18833 9434 1 19 . 1 1 2 2 PRO C C 2 175.867 175.867 176.120 -0.253 18833 9435 1 19 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.614 0.226 18833 9436 1 19 . 1 1 2 2 PRO CB C 2 32.313 32.313 33.278 -0.965 18833 9437 1 19 . 1 1 3 3 LYS N N 3 124.698 124.698 120.972 3.726 18833 9438 1 19 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.653 -0.046 18833 9439 1 19 . 1 1 3 3 LYS CA C 3 53.607 53.607 53.827 -0.220 18833 9440 1 19 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.972 -1.385 18833 9441 1 19 . 1 1 3 3 LYS H H 3 8.933 8.933 8.256 0.677 18833 9442 1 19 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.147 -0.206 18833 9443 1 19 . 1 1 4 4 PRO C C 4 177.504 177.504 177.270 0.234 18833 9444 1 19 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.003 0.509 18833 9445 1 19 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.449 0.221 18833 9446 1 19 . 1 1 5 5 GLY N N 5 113.652 113.652 113.254 0.398 18833 9447 1 19 . 1 1 5 5 GLY C C 5 174.146 174.146 173.979 0.167 18833 9448 1 19 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.747 0.325 18833 9449 1 19 . 1 1 5 5 GLY H H 5 9.014 9.014 8.707 0.307 18833 9450 1 19 . 1 1 6 6 ASP N N 6 121.766 121.766 122.593 -0.827 18833 9451 1 19 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.686 -0.015 18833 9452 1 19 . 1 1 6 6 ASP C C 6 175.762 175.762 175.644 0.118 18833 9453 1 19 . 1 1 6 6 ASP CA C 6 54.899 54.899 54.551 0.348 18833 9454 1 19 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.103 -0.698 18833 9455 1 19 . 1 1 6 6 ASP H H 6 8.489 8.489 7.758 0.731 18833 9456 1 19 . 1 1 7 7 ILE N N 7 121.794 121.794 125.045 -3.251 18833 9457 1 19 . 1 1 7 7 ILE HA H 7 5.333 5.333 5.035 0.298 18833 9458 1 19 . 1 1 7 7 ILE C C 7 176.854 176.854 176.181 0.673 18833 9459 1 19 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.647 -1.015 18833 9460 1 19 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.189 -0.974 18833 9461 1 19 . 1 1 7 7 ILE H H 7 8.368 8.368 8.351 0.017 18833 9462 1 19 . 1 1 8 8 PHE N N 8 125.873 125.873 124.950 0.923 18833 9463 1 19 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.073 -0.009 18833 9464 1 19 . 1 1 8 8 PHE C C 8 171.167 171.167 173.846 -2.679 18833 9465 1 19 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.413 0.137 18833 9466 1 19 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.634 -0.301 18833 9467 1 19 . 1 1 8 8 PHE H H 8 9.498 9.498 8.799 0.699 18833 9468 1 19 . 1 1 9 9 GLU N N 9 119.065 119.065 120.648 -1.583 18833 9469 1 19 . 1 1 9 9 GLU HA H 9 5.215 5.215 5.064 0.151 18833 9470 1 19 . 1 1 9 9 GLU C C 9 176.019 176.019 176.303 -0.284 18833 9471 1 19 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.434 -1.445 18833 9472 1 19 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.503 1.908 18833 9473 1 19 . 1 1 9 9 GLU H H 9 8.502 8.502 8.570 -0.068 18833 9474 1 19 . 1 1 10 10 VAL N N 10 120.078 120.078 124.559 -4.481 18833 9475 1 19 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.405 -0.270 18833 9476 1 19 . 1 1 10 10 VAL C C 10 173.177 173.177 174.274 -1.097 18833 9477 1 19 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.900 0.213 18833 9478 1 19 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.049 1.732 18833 9479 1 19 . 1 1 10 10 VAL H H 10 8.581 8.581 9.055 -0.474 18833 9480 1 19 . 1 1 11 11 GLU N N 11 126.482 126.482 127.123 -0.641 18833 9481 1 19 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.110 -0.111 18833 9482 1 19 . 1 1 11 11 GLU C C 11 174.618 174.618 175.170 -0.552 18833 9483 1 19 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.593 0.221 18833 9484 1 19 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.829 0.179 18833 9485 1 19 . 1 1 11 11 GLU H H 11 7.810 7.810 8.597 -0.787 18833 9486 1 19 . 1 1 12 12 LEU N N 12 126.093 126.093 125.493 0.600 18833 9487 1 19 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.664 -0.010 18833 9488 1 19 . 1 1 12 12 LEU C C 12 174.013 174.013 175.003 -0.990 18833 9489 1 19 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.186 -0.012 18833 9490 1 19 . 1 1 12 12 LEU CB C 12 45.866 45.866 44.053 1.813 18833 9491 1 19 . 1 1 12 12 LEU H H 12 8.888 8.888 8.827 0.061 18833 9492 1 19 . 1 1 13 13 ALA N N 13 126.137 126.137 129.701 -3.564 18833 9493 1 19 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.496 0.605 18833 9494 1 19 . 1 1 13 13 ALA C C 13 177.290 177.290 176.035 1.255 18833 9495 1 19 . 1 1 13 13 ALA CA C 13 49.883 49.883 52.043 -2.160 18833 9496 1 19 . 1 1 13 13 ALA CB C 13 19.409 19.409 18.691 0.718 18833 9497 1 19 . 1 1 13 13 ALA H H 13 8.494 8.494 8.735 -0.241 18833 9498 1 19 . 1 1 14 14 LYS N N 14 120.270 120.270 123.722 -3.452 18833 9499 1 19 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.541 -0.743 18833 9500 1 19 . 1 1 14 14 LYS C C 14 176.313 176.313 176.318 -0.005 18833 9501 1 19 . 1 1 14 14 LYS CA C 14 57.798 57.798 54.782 3.015 18833 9502 1 19 . 1 1 14 14 LYS CB C 14 33.913 33.913 33.661 0.252 18833 9503 1 19 . 1 1 14 14 LYS H H 14 8.486 8.486 8.599 -0.113 18833 9504 1 19 . 1 1 15 15 ASN N N 15 117.746 117.746 119.210 -1.464 18833 9505 1 19 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.572 0.252 18833 9506 1 19 . 1 1 15 15 ASN CA C 15 52.779 52.779 53.654 -0.875 18833 9507 1 19 . 1 1 15 15 ASN CB C 15 40.122 40.122 39.346 0.776 18833 9508 1 19 . 1 1 15 15 ASN H H 15 8.139 8.139 7.827 0.312 18833 9509 1 19 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.522 -0.221 18833 9510 1 19 . 1 1 16 16 ASP C C 16 175.367 175.367 175.511 -0.144 18833 9511 1 19 . 1 1 16 16 ASP CA C 16 55.452 55.452 55.753 -0.301 18833 9512 1 19 . 1 1 16 16 ASP CB C 16 39.456 39.456 40.997 -1.541 18833 9513 1 19 . 1 1 17 17 ASN N N 17 111.793 111.793 120.825 -9.032 18833 9514 1 19 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.669 -0.289 18833 9515 1 19 . 1 1 17 17 ASN C C 17 174.599 174.599 173.942 0.657 18833 9516 1 19 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.600 1.193 18833 9517 1 19 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.106 -1.390 18833 9518 1 19 . 1 1 17 17 ASN H H 17 8.698 8.698 8.316 0.382 18833 9519 1 19 . 1 1 18 18 SER N N 18 112.321 112.321 117.988 -5.667 18833 9520 1 19 . 1 1 18 18 SER HA H 18 4.827 4.827 4.582 0.245 18833 9521 1 19 . 1 1 18 18 SER CA C 18 56.795 56.795 58.184 -1.389 18833 9522 1 19 . 1 1 18 18 SER CB C 18 64.855 64.855 63.187 1.668 18833 9523 1 19 . 1 1 18 18 SER H H 18 7.989 7.989 8.473 -0.484 18833 9524 1 19 . 1 1 19 19 LEU N N 19 127.097 127.097 125.963 1.134 18833 9525 1 19 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.233 -0.067 18833 9526 1 19 . 1 1 19 19 LEU C C 19 177.329 177.329 178.479 -1.150 18833 9527 1 19 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.146 0.367 18833 9528 1 19 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.414 0.905 18833 9529 1 19 . 1 1 19 19 LEU H H 19 9.247 9.247 8.342 0.905 18833 9530 1 19 . 1 1 20 20 GLY N N 20 104.340 104.340 105.075 -0.735 18833 9531 1 19 . 1 1 20 20 GLY C C 20 175.984 175.984 173.829 2.155 18833 9532 1 19 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.214 1.585 18833 9533 1 19 . 1 1 20 20 GLY H H 20 8.664 8.664 8.459 0.205 18833 9534 1 19 . 1 1 21 21 ILE N N 21 115.279 115.279 117.927 -2.648 18833 9535 1 19 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.078 -0.082 18833 9536 1 19 . 1 1 21 21 ILE C C 21 175.972 175.972 175.165 0.807 18833 9537 1 19 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.804 -0.023 18833 9538 1 19 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.152 1.470 18833 9539 1 19 . 1 1 21 21 ILE H H 21 7.614 7.614 7.719 -0.105 18833 9540 1 19 . 1 1 22 22 CYS N N 22 122.210 122.210 121.872 0.338 18833 9541 1 19 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.894 0.377 18833 9542 1 19 . 1 1 22 22 CYS C C 22 175.904 175.904 172.810 3.094 18833 9543 1 19 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.754 -5.809 18833 9544 1 19 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.473 3.719 18833 9545 1 19 . 1 1 22 22 CYS H H 22 8.506 8.506 8.543 -0.037 18833 9546 1 19 . 1 1 23 23 VAL N N 23 117.739 117.739 115.671 2.068 18833 9547 1 19 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.334 0.133 18833 9548 1 19 . 1 1 23 23 VAL C C 23 173.821 173.821 173.965 -0.144 18833 9549 1 19 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.102 -0.282 18833 9550 1 19 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.543 0.212 18833 9551 1 19 . 1 1 23 23 VAL H H 23 9.203 9.203 8.474 0.729 18833 9552 1 19 . 1 1 24 24 THR N N 24 114.753 114.753 114.205 0.548 18833 9553 1 19 . 1 1 24 24 THR HA H 24 4.649 4.649 4.758 -0.109 18833 9554 1 19 . 1 1 24 24 THR C C 24 171.786 171.786 173.319 -1.533 18833 9555 1 19 . 1 1 24 24 THR CA C 24 59.529 59.529 59.283 0.246 18833 9556 1 19 . 1 1 24 24 THR CB C 24 70.563 70.563 70.365 0.198 18833 9557 1 19 . 1 1 24 24 THR H H 24 9.237 9.237 8.574 0.663 18833 9558 1 19 . 1 1 25 25 GLY N N 25 111.927 111.927 109.576 2.351 18833 9559 1 19 . 1 1 25 25 GLY C C 25 174.099 174.099 173.446 0.653 18833 9560 1 19 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.520 0.092 18833 9561 1 19 . 1 1 25 25 GLY H H 25 8.291 8.291 8.578 -0.287 18833 9562 1 19 . 1 1 26 26 GLY N N 26 107.140 107.140 108.101 -0.961 18833 9563 1 19 . 1 1 26 26 GLY C C 26 176.180 176.180 175.330 0.850 18833 9564 1 19 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.473 -1.670 18833 9565 1 19 . 1 1 26 26 GLY H H 26 7.545 7.545 8.437 -0.892 18833 9566 1 19 . 1 1 27 27 VAL N N 27 116.837 116.837 121.793 -4.956 18833 9567 1 19 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.966 0.160 18833 9568 1 19 . 1 1 27 27 VAL C C 27 175.764 175.764 175.686 0.078 18833 9569 1 19 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.271 1.524 18833 9570 1 19 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.954 1.029 18833 9571 1 19 . 1 1 27 27 VAL H H 27 8.091 8.091 8.353 -0.262 18833 9572 1 19 . 1 1 28 28 ASN N N 28 117.997 117.997 117.132 0.865 18833 9573 1 19 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.427 0.382 18833 9574 1 19 . 1 1 28 28 ASN C C 28 174.860 174.860 174.318 0.542 18833 9575 1 19 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.697 -0.242 18833 9576 1 19 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.520 0.228 18833 9577 1 19 . 1 1 28 28 ASN H H 28 8.795 8.795 8.118 0.677 18833 9578 1 19 . 1 1 29 29 THR N N 29 111.381 111.381 113.907 -2.526 18833 9579 1 19 . 1 1 29 29 THR HA H 29 4.689 4.689 4.457 0.232 18833 9580 1 19 . 1 1 29 29 THR CA C 29 61.526 61.526 60.791 0.735 18833 9581 1 19 . 1 1 29 29 THR CB C 29 70.889 70.889 69.436 1.453 18833 9582 1 19 . 1 1 29 29 THR H H 29 7.858 7.858 7.976 -0.118 18833 9583 1 19 . 1 1 30 30 SER N N 30 114.070 114.070 115.893 -1.823 18833 9584 1 19 . 1 1 30 30 SER HA H 30 4.535 4.535 4.050 0.485 18833 9585 1 19 . 1 1 30 30 SER C C 30 174.879 174.879 174.759 0.120 18833 9586 1 19 . 1 1 30 30 SER CA C 30 58.380 58.380 60.476 -2.096 18833 9587 1 19 . 1 1 30 30 SER CB C 30 63.532 63.532 63.150 0.382 18833 9588 1 19 . 1 1 30 30 SER H H 30 8.433 8.433 8.661 -0.228 18833 9589 1 19 . 1 1 31 31 VAL N N 31 118.337 118.337 115.539 2.798 18833 9590 1 19 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.100 -0.009 18833 9591 1 19 . 1 1 31 31 VAL C C 31 176.528 176.528 175.880 0.648 18833 9592 1 19 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.270 0.875 18833 9593 1 19 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.580 -0.080 18833 9594 1 19 . 1 1 31 31 VAL H H 31 7.588 7.588 7.452 0.136 18833 9595 1 19 . 1 1 32 32 ARG N N 32 124.670 124.670 124.749 -0.079 18833 9596 1 19 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.041 -0.030 18833 9597 1 19 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.641 -0.669 18833 9598 1 19 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.246 -0.671 18833 9599 1 19 . 1 1 32 32 ARG H H 32 8.511 8.511 8.496 0.015 18833 9600 1 19 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.436 0.137 18833 9601 1 19 . 1 1 33 33 HIS C C 33 175.064 175.064 175.954 -0.890 18833 9602 1 19 . 1 1 33 33 HIS CA C 33 56.831 56.831 57.105 -0.274 18833 9603 1 19 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.446 -0.328 18833 9604 1 19 . 1 1 34 34 GLY N N 34 109.531 109.531 105.958 3.573 18833 9605 1 19 . 1 1 34 34 GLY C C 34 174.582 174.582 174.993 -0.411 18833 9606 1 19 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.510 1.071 18833 9607 1 19 . 1 1 34 34 GLY H H 34 8.471 8.471 7.507 0.964 18833 9608 1 19 . 1 1 35 35 GLY N N 35 105.151 105.151 107.871 -2.720 18833 9609 1 19 . 1 1 35 35 GLY C C 35 170.505 170.505 173.865 -3.360 18833 9610 1 19 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.836 0.742 18833 9611 1 19 . 1 1 35 35 GLY H H 35 7.833 7.833 7.757 0.076 18833 9612 1 19 . 1 1 36 36 ILE N N 36 119.676 119.676 120.210 -0.534 18833 9613 1 19 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.928 -0.216 18833 9614 1 19 . 1 1 36 36 ILE C C 36 174.641 174.641 175.380 -0.739 18833 9615 1 19 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.784 -1.700 18833 9616 1 19 . 1 1 36 36 ILE CB C 36 35.732 35.732 37.229 -1.497 18833 9617 1 19 . 1 1 36 36 ILE H H 36 8.350 8.350 7.709 0.641 18833 9618 1 19 . 1 1 37 37 TYR N N 37 123.307 123.307 125.990 -2.683 18833 9619 1 19 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.168 0.139 18833 9620 1 19 . 1 1 37 37 TYR C C 37 176.165 176.165 175.872 0.293 18833 9621 1 19 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.296 -0.449 18833 9622 1 19 . 1 1 37 37 TYR CB C 37 42.329 42.329 41.792 0.537 18833 9623 1 19 . 1 1 37 37 TYR H H 37 8.892 8.892 9.253 -0.361 18833 9624 1 19 . 1 1 38 38 VAL N N 38 120.580 120.580 121.988 -1.408 18833 9625 1 19 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.047 -0.311 18833 9626 1 19 . 1 1 38 38 VAL C C 38 175.983 175.983 176.173 -0.190 18833 9627 1 19 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.368 0.302 18833 9628 1 19 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.517 0.011 18833 9629 1 19 . 1 1 38 38 VAL H H 38 9.365 9.365 8.973 0.392 18833 9630 1 19 . 1 1 39 39 LYS N N 39 133.297 133.297 130.345 2.952 18833 9631 1 19 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.463 -0.078 18833 9632 1 19 . 1 1 39 39 LYS C C 39 174.520 174.520 175.642 -1.122 18833 9633 1 19 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.246 0.263 18833 9634 1 19 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.821 -0.187 18833 9635 1 19 . 1 1 39 39 LYS H H 39 9.560 9.560 8.880 0.680 18833 9636 1 19 . 1 1 40 40 ALA N N 40 118.155 118.155 121.890 -3.735 18833 9637 1 19 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.712 -0.207 18833 9638 1 19 . 1 1 40 40 ALA C C 40 174.639 174.639 175.121 -0.482 18833 9639 1 19 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.492 0.303 18833 9640 1 19 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.993 0.487 18833 9641 1 19 . 1 1 40 40 ALA H H 40 7.498 7.498 7.579 -0.081 18833 9642 1 19 . 1 1 41 41 VAL N N 41 121.634 121.634 121.791 -0.157 18833 9643 1 19 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.776 -0.367 18833 9644 1 19 . 1 1 41 41 VAL C C 41 175.829 175.829 175.509 0.320 18833 9645 1 19 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.516 0.788 18833 9646 1 19 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.921 -2.726 18833 9647 1 19 . 1 1 41 41 VAL H H 41 8.634 8.634 8.418 0.216 18833 9648 1 19 . 1 1 42 42 ILE N N 42 128.094 128.094 128.302 -0.208 18833 9649 1 19 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.343 -0.197 18833 9650 1 19 . 1 1 42 42 ILE CA C 42 58.646 58.646 59.225 -0.579 18833 9651 1 19 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.832 -0.827 18833 9652 1 19 . 1 1 42 42 ILE H H 42 7.944 7.944 8.903 -0.959 18833 9653 1 19 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.537 -0.086 18833 9654 1 19 . 1 1 43 43 PRO C C 43 177.234 177.234 176.290 0.944 18833 9655 1 19 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.305 0.892 18833 9656 1 19 . 1 1 43 43 PRO CB C 43 31.845 31.845 30.787 1.058 18833 9657 1 19 . 1 1 44 44 GLN N N 44 116.825 116.825 116.145 0.680 18833 9658 1 19 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.928 -0.079 18833 9659 1 19 . 1 1 44 44 GLN C C 44 175.752 175.752 175.499 0.253 18833 9660 1 19 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.689 1.443 18833 9661 1 19 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.418 0.056 18833 9662 1 19 . 1 1 44 44 GLN H H 44 9.345 9.345 8.782 0.563 18833 9663 1 19 . 1 1 45 45 GLY N N 45 106.186 106.186 105.090 1.096 18833 9664 1 19 . 1 1 45 45 GLY C C 45 174.374 174.374 174.139 0.235 18833 9665 1 19 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.174 0.550 18833 9666 1 19 . 1 1 45 45 GLY H H 45 7.887 7.887 7.803 0.084 18833 9667 1 19 . 1 1 46 46 ALA N N 46 120.843 120.843 122.987 -2.144 18833 9668 1 19 . 1 1 46 46 ALA HA H 46 4.059 4.059 3.980 0.079 18833 9669 1 19 . 1 1 46 46 ALA C C 46 180.628 180.628 179.550 1.078 18833 9670 1 19 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.670 -0.635 18833 9671 1 19 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.819 -0.197 18833 9672 1 19 . 1 1 46 46 ALA H H 46 8.907 8.907 8.627 0.280 18833 9673 1 19 . 1 1 47 47 ALA N N 47 118.721 118.721 120.906 -2.185 18833 9674 1 19 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.952 0.119 18833 9675 1 19 . 1 1 47 47 ALA C C 47 180.589 180.589 179.663 0.926 18833 9676 1 19 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.275 -0.429 18833 9677 1 19 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.839 0.930 18833 9678 1 19 . 1 1 47 47 ALA H H 47 7.856 7.856 8.284 -0.428 18833 9679 1 19 . 1 1 48 48 GLU N N 48 124.373 124.373 118.928 5.445 18833 9680 1 19 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.074 -0.265 18833 9681 1 19 . 1 1 48 48 GLU C C 48 178.120 178.120 178.923 -0.803 18833 9682 1 19 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.789 1.068 18833 9683 1 19 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.585 0.034 18833 9684 1 19 . 1 1 48 48 GLU H H 48 9.195 9.195 8.550 0.645 18833 9685 1 19 . 1 1 49 49 SER N N 49 113.220 113.220 114.526 -1.306 18833 9686 1 19 . 1 1 49 49 SER HA H 49 4.099 4.099 4.212 -0.113 18833 9687 1 19 . 1 1 49 49 SER C C 49 175.707 175.707 176.851 -1.144 18833 9688 1 19 . 1 1 49 49 SER CA C 49 61.168 61.168 60.779 0.389 18833 9689 1 19 . 1 1 49 49 SER CB C 49 62.775 62.775 63.229 -0.454 18833 9690 1 19 . 1 1 49 49 SER H H 49 8.020 8.020 8.185 -0.165 18833 9691 1 19 . 1 1 50 50 ASP N N 50 120.022 120.022 119.764 0.258 18833 9692 1 19 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.465 -0.085 18833 9693 1 19 . 1 1 50 50 ASP C C 50 177.650 177.650 177.327 0.323 18833 9694 1 19 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.958 1.239 18833 9695 1 19 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.624 2.611 18833 9696 1 19 . 1 1 50 50 ASP H H 50 7.579 7.579 8.088 -0.509 18833 9697 1 19 . 1 1 51 51 GLY N N 51 102.979 102.979 106.773 -3.794 18833 9698 1 19 . 1 1 51 51 GLY C C 51 175.026 175.026 175.510 -0.484 18833 9699 1 19 . 1 1 51 51 GLY CA C 51 46.346 46.346 46.497 -0.151 18833 9700 1 19 . 1 1 51 51 GLY H H 51 7.364 7.364 8.129 -0.765 18833 9701 1 19 . 1 1 52 52 ARG N N 52 117.501 117.501 120.368 -2.867 18833 9702 1 19 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.259 0.049 18833 9703 1 19 . 1 1 52 52 ARG C C 52 175.898 175.898 176.860 -0.962 18833 9704 1 19 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.323 0.581 18833 9705 1 19 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.510 2.489 18833 9706 1 19 . 1 1 52 52 ARG H H 52 7.958 7.958 8.321 -0.363 18833 9707 1 19 . 1 1 53 53 ILE N N 53 120.028 120.028 118.789 1.239 18833 9708 1 19 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.319 -0.087 18833 9709 1 19 . 1 1 53 53 ILE C C 53 173.773 173.773 174.768 -0.995 18833 9710 1 19 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.879 0.550 18833 9711 1 19 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.181 0.518 18833 9712 1 19 . 1 1 53 53 ILE H H 53 8.223 8.223 7.643 0.580 18833 9713 1 19 . 1 1 54 54 HIS N N 54 123.681 123.681 123.451 0.230 18833 9714 1 19 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.973 -0.172 18833 9715 1 19 . 1 1 54 54 HIS C C 54 173.826 173.826 173.480 0.346 18833 9716 1 19 . 1 1 54 54 HIS CA C 54 54.885 54.885 53.759 1.126 18833 9717 1 19 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.077 1.422 18833 9718 1 19 . 1 1 54 54 HIS H H 54 9.073 9.073 9.324 -0.251 18833 9719 1 19 . 1 1 55 55 LYS N N 55 120.814 120.814 120.386 0.428 18833 9720 1 19 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.002 -0.392 18833 9721 1 19 . 1 1 55 55 LYS C C 55 177.014 177.014 177.288 -0.274 18833 9722 1 19 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.716 0.717 18833 9723 1 19 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.660 -0.300 18833 9724 1 19 . 1 1 55 55 LYS H H 55 8.715 8.715 8.762 -0.047 18833 9725 1 19 . 1 1 56 56 GLY N N 56 114.423 114.423 115.263 -0.840 18833 9726 1 19 . 1 1 56 56 GLY C C 56 174.469 174.469 174.282 0.187 18833 9727 1 19 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.280 -0.442 18833 9728 1 19 . 1 1 56 56 GLY H H 56 9.128 9.128 8.683 0.445 18833 9729 1 19 . 1 1 57 57 ASP N N 57 121.735 121.735 122.018 -0.283 18833 9730 1 19 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.604 0.279 18833 9731 1 19 . 1 1 57 57 ASP C C 57 174.808 174.808 174.552 0.256 18833 9732 1 19 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.217 0.610 18833 9733 1 19 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.112 -1.057 18833 9734 1 19 . 1 1 57 57 ASP H H 57 8.033 8.033 7.740 0.293 18833 9735 1 19 . 1 1 58 58 ARG N N 58 123.530 123.530 122.014 1.516 18833 9736 1 19 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.630 0.008 18833 9737 1 19 . 1 1 58 58 ARG C C 58 175.641 175.641 174.571 1.070 18833 9738 1 19 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.806 -0.106 18833 9739 1 19 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.933 1.698 18833 9740 1 19 . 1 1 58 58 ARG H H 58 9.097 9.097 8.516 0.581 18833 9741 1 19 . 1 1 59 59 VAL N N 59 126.202 126.202 125.208 0.994 18833 9742 1 19 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.381 -0.476 18833 9743 1 19 . 1 1 59 59 VAL C C 59 174.515 174.515 175.337 -0.822 18833 9744 1 19 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.603 0.549 18833 9745 1 19 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.057 -1.983 18833 9746 1 19 . 1 1 59 59 VAL H H 59 8.898 8.898 8.732 0.166 18833 9747 1 19 . 1 1 60 60 LEU N N 60 127.209 127.209 124.399 2.810 18833 9748 1 19 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.737 -0.417 18833 9749 1 19 . 1 1 60 60 LEU C C 60 178.352 178.352 176.455 1.897 18833 9750 1 19 . 1 1 60 60 LEU CA C 60 56.161 56.161 55.238 0.923 18833 9751 1 19 . 1 1 60 60 LEU CB C 60 42.625 42.625 42.864 -0.238 18833 9752 1 19 . 1 1 60 60 LEU H H 60 9.193 9.193 8.543 0.650 18833 9753 1 19 . 1 1 61 61 ALA N N 61 118.965 118.965 119.996 -1.031 18833 9754 1 19 . 1 1 61 61 ALA HA H 61 4.939 4.939 4.982 -0.043 18833 9755 1 19 . 1 1 61 61 ALA C C 61 175.332 175.332 175.157 0.175 18833 9756 1 19 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.606 1.685 18833 9757 1 19 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.770 -0.683 18833 9758 1 19 . 1 1 61 61 ALA H H 61 7.759 7.759 7.294 0.465 18833 9759 1 19 . 1 1 62 62 VAL N N 62 119.695 119.695 118.814 0.881 18833 9760 1 19 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.653 -0.169 18833 9761 1 19 . 1 1 62 62 VAL C C 62 175.538 175.538 176.010 -0.472 18833 9762 1 19 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.159 -0.622 18833 9763 1 19 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.006 -0.045 18833 9764 1 19 . 1 1 62 62 VAL H H 62 8.218 8.218 8.690 -0.472 18833 9765 1 19 . 1 1 63 63 ASN N N 63 128.940 128.940 127.957 0.983 18833 9766 1 19 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.405 0.166 18833 9767 1 19 . 1 1 63 63 ASN C C 63 175.155 175.155 175.499 -0.344 18833 9768 1 19 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.302 0.157 18833 9769 1 19 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.132 -1.213 18833 9770 1 19 . 1 1 63 63 ASN H H 63 10.387 10.387 9.351 1.036 18833 9771 1 19 . 1 1 64 64 GLY N N 64 103.432 103.432 102.215 1.217 18833 9772 1 19 . 1 1 64 64 GLY C C 64 173.902 173.902 173.949 -0.047 18833 9773 1 19 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.009 0.188 18833 9774 1 19 . 1 1 64 64 GLY H H 64 9.094 9.094 8.547 0.547 18833 9775 1 19 . 1 1 65 65 VAL N N 65 123.418 123.418 121.190 2.228 18833 9776 1 19 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.331 -0.355 18833 9777 1 19 . 1 1 65 65 VAL C C 65 175.675 175.675 175.622 0.053 18833 9778 1 19 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.216 0.846 18833 9779 1 19 . 1 1 65 65 VAL CB C 65 31.829 31.829 33.162 -1.333 18833 9780 1 19 . 1 1 65 65 VAL H H 65 7.948 7.948 7.674 0.274 18833 9781 1 19 . 1 1 66 66 SER N N 66 121.122 121.122 124.391 -3.269 18833 9782 1 19 . 1 1 66 66 SER HA H 66 4.365 4.365 4.431 -0.066 18833 9783 1 19 . 1 1 66 66 SER C C 66 176.402 176.402 174.120 2.282 18833 9784 1 19 . 1 1 66 66 SER CA C 66 58.310 58.310 58.458 -0.148 18833 9785 1 19 . 1 1 66 66 SER CB C 66 63.651 63.651 63.126 0.526 18833 9786 1 19 . 1 1 66 66 SER H H 66 8.671 8.671 8.860 -0.189 18833 9787 1 19 . 1 1 67 67 LEU N N 67 125.351 125.351 118.212 7.139 18833 9788 1 19 . 1 1 67 67 LEU HA H 67 4.440 4.440 3.909 0.531 18833 9789 1 19 . 1 1 67 67 LEU C C 67 176.359 176.359 175.563 0.796 18833 9790 1 19 . 1 1 67 67 LEU CA C 67 53.867 53.867 55.110 -1.243 18833 9791 1 19 . 1 1 67 67 LEU CB C 67 40.981 40.981 40.738 0.243 18833 9792 1 19 . 1 1 67 67 LEU H H 67 8.205 8.205 8.222 -0.017 18833 9793 1 19 . 1 1 68 68 GLU N N 68 123.211 123.211 120.646 2.565 18833 9794 1 19 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.206 -0.160 18833 9795 1 19 . 1 1 68 68 GLU C C 68 177.820 177.820 177.667 0.153 18833 9796 1 19 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.414 1.121 18833 9797 1 19 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.527 -0.447 18833 9798 1 19 . 1 1 68 68 GLU H H 68 8.300 8.300 8.389 -0.089 18833 9799 1 19 . 1 1 69 69 GLY N N 69 115.507 115.507 112.342 3.165 18833 9800 1 19 . 1 1 69 69 GLY C C 69 173.652 173.652 174.124 -0.472 18833 9801 1 19 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.678 0.669 18833 9802 1 19 . 1 1 69 69 GLY H H 69 8.945 8.945 8.874 0.071 18833 9803 1 19 . 1 1 70 70 ALA N N 70 122.308 122.308 124.943 -2.635 18833 9804 1 19 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.232 0.258 18833 9805 1 19 . 1 1 70 70 ALA C C 70 179.583 179.583 177.284 2.299 18833 9806 1 19 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.257 0.227 18833 9807 1 19 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.745 -0.157 18833 9808 1 19 . 1 1 70 70 ALA H H 70 7.882 7.882 7.409 0.473 18833 9809 1 19 . 1 1 71 71 THR N N 71 111.173 111.173 115.973 -4.800 18833 9810 1 19 . 1 1 71 71 THR HA H 71 4.526 4.526 4.428 0.098 18833 9811 1 19 . 1 1 71 71 THR C C 71 174.660 174.660 176.354 -1.694 18833 9812 1 19 . 1 1 71 71 THR CA C 71 60.732 60.732 61.158 -0.426 18833 9813 1 19 . 1 1 71 71 THR CB C 71 71.196 71.196 70.615 0.581 18833 9814 1 19 . 1 1 71 71 THR H H 71 8.185 8.185 8.367 -0.182 18833 9815 1 19 . 1 1 72 72 HIS N N 72 121.107 121.107 119.055 2.052 18833 9816 1 19 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.375 -0.374 18833 9817 1 19 . 1 1 72 72 HIS C C 72 176.702 176.702 177.496 -0.794 18833 9818 1 19 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.508 1.944 18833 9819 1 19 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.251 1.058 18833 9820 1 19 . 1 1 72 72 HIS H H 72 9.077 9.077 9.014 0.063 18833 9821 1 19 . 1 1 73 73 LYS N N 73 116.672 116.672 118.564 -1.892 18833 9822 1 19 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.649 0.107 18833 9823 1 19 . 1 1 73 73 LYS C C 73 178.603 178.603 179.074 -0.471 18833 9824 1 19 . 1 1 73 73 LYS CA C 73 60.022 60.022 60.089 -0.067 18833 9825 1 19 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.694 0.766 18833 9826 1 19 . 1 1 73 73 LYS H H 73 8.473 8.473 7.644 0.829 18833 9827 1 19 . 1 1 74 74 GLN N N 74 116.558 116.558 118.108 -1.550 18833 9828 1 19 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.106 -0.174 18833 9829 1 19 . 1 1 74 74 GLN C C 74 179.891 179.891 178.517 1.374 18833 9830 1 19 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.668 -0.097 18833 9831 1 19 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.129 0.196 18833 9832 1 19 . 1 1 74 74 GLN H H 74 7.568 7.568 7.575 -0.007 18833 9833 1 19 . 1 1 75 75 ALA N N 75 123.337 123.337 123.106 0.231 18833 9834 1 19 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.079 -0.285 18833 9835 1 19 . 1 1 75 75 ALA C C 75 178.309 178.309 179.174 -0.865 18833 9836 1 19 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.026 0.642 18833 9837 1 19 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.334 1.034 18833 9838 1 19 . 1 1 75 75 ALA H H 75 8.320 8.320 7.844 0.476 18833 9839 1 19 . 1 1 76 76 VAL N N 76 118.172 118.172 118.542 -0.370 18833 9840 1 19 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.644 -0.457 18833 9841 1 19 . 1 1 76 76 VAL C C 76 179.705 179.705 177.364 2.341 18833 9842 1 19 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.885 0.268 18833 9843 1 19 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.570 -0.395 18833 9844 1 19 . 1 1 76 76 VAL H H 76 8.122 8.122 7.481 0.641 18833 9845 1 19 . 1 1 77 77 CYS N N 77 116.979 116.979 118.083 -1.104 18833 9846 1 19 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.035 0.166 18833 9847 1 19 . 1 1 77 77 CYS C C 77 177.004 177.004 177.557 -0.553 18833 9848 1 19 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.125 -1.233 18833 9849 1 19 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.422 11.121 18833 9850 1 19 . 1 1 77 77 CYS H H 77 8.327 8.327 8.549 -0.222 18833 9851 1 19 . 1 1 78 78 THR N N 78 117.521 117.521 116.686 0.835 18833 9852 1 19 . 1 1 78 78 THR HA H 78 3.867 3.867 3.969 -0.102 18833 9853 1 19 . 1 1 78 78 THR C C 78 176.306 176.306 176.861 -0.555 18833 9854 1 19 . 1 1 78 78 THR CA C 78 67.197 67.197 66.426 0.771 18833 9855 1 19 . 1 1 78 78 THR CB C 78 68.145 68.145 68.557 -0.412 18833 9856 1 19 . 1 1 78 78 THR H H 78 8.259 8.259 7.924 0.335 18833 9857 1 19 . 1 1 79 79 LEU N N 79 119.714 119.714 122.431 -2.717 18833 9858 1 19 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.975 -0.139 18833 9859 1 19 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.922 0.028 18833 9860 1 19 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.323 0.305 18833 9861 1 19 . 1 1 79 79 LEU H H 79 7.748 7.748 7.518 0.230 18833 9862 1 19 . 1 1 80 80 ARG N N 80 119.613 119.613 115.447 4.166 18833 9863 1 19 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.033 0.082 18833 9864 1 19 . 1 1 80 80 ARG C C 80 177.905 177.905 177.617 0.288 18833 9865 1 19 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.726 -0.264 18833 9866 1 19 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.754 1.016 18833 9867 1 19 . 1 1 80 80 ARG H H 80 7.944 7.944 7.768 0.176 18833 9868 1 19 . 1 1 81 81 ASN N N 81 119.257 119.257 115.246 4.011 18833 9869 1 19 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.808 0.153 18833 9870 1 19 . 1 1 81 81 ASN C C 81 175.030 175.030 175.284 -0.254 18833 9871 1 19 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.496 -0.690 18833 9872 1 19 . 1 1 81 81 ASN CB C 81 37.454 37.454 40.204 -2.750 18833 9873 1 19 . 1 1 81 81 ASN H H 81 7.843 7.843 7.884 -0.041 18833 9874 1 19 . 1 1 82 82 THR N N 82 109.817 109.817 113.009 -3.192 18833 9875 1 19 . 1 1 82 82 THR HA H 82 4.391 4.391 4.508 -0.117 18833 9876 1 19 . 1 1 82 82 THR C C 82 175.114 175.114 175.411 -0.297 18833 9877 1 19 . 1 1 82 82 THR CA C 82 60.155 60.155 61.773 -1.619 18833 9878 1 19 . 1 1 82 82 THR CB C 82 72.327 72.327 70.693 1.634 18833 9879 1 19 . 1 1 82 82 THR H H 82 7.514 7.514 7.501 0.013 18833 9880 1 19 . 1 1 83 83 GLY N N 83 109.536 109.536 106.747 2.789 18833 9881 1 19 . 1 1 83 83 GLY C C 83 173.492 173.492 173.872 -0.380 18833 9882 1 19 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.383 -0.257 18833 9883 1 19 . 1 1 83 83 GLY H H 83 8.406 8.406 8.467 -0.061 18833 9884 1 19 . 1 1 84 84 GLN N N 84 117.293 117.293 118.255 -0.962 18833 9885 1 19 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.207 -0.239 18833 9886 1 19 . 1 1 84 84 GLN C C 84 175.351 175.351 175.447 -0.096 18833 9887 1 19 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.807 0.705 18833 9888 1 19 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.207 -0.184 18833 9889 1 19 . 1 1 84 84 GLN H H 84 8.218 8.218 8.294 -0.076 18833 9890 1 19 . 1 1 85 85 VAL N N 85 116.238 116.238 117.870 -1.632 18833 9891 1 19 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.765 -0.073 18833 9892 1 19 . 1 1 85 85 VAL C C 85 175.864 175.864 175.558 0.306 18833 9893 1 19 . 1 1 85 85 VAL CA C 85 61.342 61.342 60.959 0.383 18833 9894 1 19 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.217 0.157 18833 9895 1 19 . 1 1 85 85 VAL H H 85 7.715 7.715 7.679 0.036 18833 9896 1 19 . 1 1 86 86 VAL N N 86 128.273 128.273 126.457 1.816 18833 9897 1 19 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.368 0.156 18833 9898 1 19 . 1 1 86 86 VAL C C 86 173.320 173.320 174.565 -1.245 18833 9899 1 19 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.267 0.519 18833 9900 1 19 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.457 -0.352 18833 9901 1 19 . 1 1 86 86 VAL H H 86 9.034 9.034 8.658 0.376 18833 9902 1 19 . 1 1 87 87 HIS N N 87 126.224 126.224 125.771 0.453 18833 9903 1 19 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.762 0.275 18833 9904 1 19 . 1 1 87 87 HIS C C 87 174.442 174.442 174.213 0.229 18833 9905 1 19 . 1 1 87 87 HIS CA C 87 55.758 55.758 56.015 -0.257 18833 9906 1 19 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.770 1.731 18833 9907 1 19 . 1 1 87 87 HIS H H 87 8.761 8.761 8.787 -0.026 18833 9908 1 19 . 1 1 88 88 LEU N N 88 126.604 126.604 125.614 0.990 18833 9909 1 19 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.822 0.147 18833 9910 1 19 . 1 1 88 88 LEU C C 88 173.306 173.306 174.825 -1.519 18833 9911 1 19 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.700 -0.051 18833 9912 1 19 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.398 -0.110 18833 9913 1 19 . 1 1 88 88 LEU H H 88 9.045 9.045 9.184 -0.139 18833 9914 1 19 . 1 1 89 89 LEU N N 89 124.501 124.501 122.754 1.747 18833 9915 1 19 . 1 1 89 89 LEU HA H 89 4.721 4.721 5.098 -0.377 18833 9916 1 19 . 1 1 89 89 LEU C C 89 175.180 175.180 175.142 0.038 18833 9917 1 19 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.603 0.135 18833 9918 1 19 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.435 0.931 18833 9919 1 19 . 1 1 89 89 LEU H H 89 7.977 7.977 8.362 -0.385 18833 9920 1 19 . 1 1 90 90 LEU N N 90 127.520 127.520 122.932 4.588 18833 9921 1 19 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.788 0.501 18833 9922 1 19 . 1 1 90 90 LEU C C 90 173.616 173.616 174.550 -0.934 18833 9923 1 19 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.632 0.523 18833 9924 1 19 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.196 -0.176 18833 9925 1 19 . 1 1 90 90 LEU H H 90 8.896 8.896 8.691 0.205 18833 9926 1 19 . 1 1 91 91 GLU N N 91 118.964 118.964 120.878 -1.914 18833 9927 1 19 . 1 1 91 91 GLU HA H 91 5.086 5.086 4.860 0.226 18833 9928 1 19 . 1 1 91 91 GLU C C 91 176.652 176.652 175.560 1.092 18833 9929 1 19 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.617 -0.798 18833 9930 1 19 . 1 1 91 91 GLU CB C 91 33.906 33.906 32.988 0.918 18833 9931 1 19 . 1 1 91 91 GLU H H 91 8.825 8.825 8.089 0.736 18833 9932 1 19 . 1 1 92 92 LYS N N 92 128.805 128.805 127.210 1.595 18833 9933 1 19 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.414 -0.045 18833 9934 1 19 . 1 1 92 92 LYS C C 92 178.011 178.011 176.643 1.368 18833 9935 1 19 . 1 1 92 92 LYS CA C 92 56.340 56.340 57.289 -0.949 18833 9936 1 19 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.241 -1.172 18833 9937 1 19 . 1 1 92 92 LYS H H 92 9.333 9.333 9.044 0.289 18833 9938 1 19 . 1 1 93 93 GLY N N 93 117.774 117.774 112.459 5.315 18833 9939 1 19 . 1 1 93 93 GLY C C 93 173.157 173.157 173.048 0.109 18833 9940 1 19 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.751 0.424 18833 9941 1 19 . 1 1 93 93 GLY H H 93 9.735 9.735 8.715 1.020 18833 9942 1 19 . 1 1 94 94 GLN N N 94 116.912 116.912 119.242 -2.330 18833 9943 1 19 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.789 -0.525 18833 9944 1 19 . 1 1 94 94 GLN C C 94 175.955 175.955 176.310 -0.355 18833 9945 1 19 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.873 0.628 18833 9946 1 19 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.000 -0.282 18833 9947 1 19 . 1 1 94 94 GLN H H 94 8.243 8.243 7.888 0.355 18833 9948 1 19 . 1 1 95 95 SER N N 95 118.157 118.157 118.397 -0.240 18833 9949 1 19 . 1 1 95 95 SER HA H 95 4.662 4.662 4.855 -0.193 18833 9950 1 19 . 1 1 95 95 SER CA C 95 56.615 56.615 56.977 -0.361 18833 9951 1 19 . 1 1 95 95 SER CB C 95 63.203 63.203 62.929 0.274 18833 9952 1 19 . 1 1 95 95 SER H H 95 8.396 8.396 8.249 0.147 18833 9953 1 19 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.368 0.109 18833 9954 1 19 . 1 1 96 96 PRO C C 96 176.303 176.303 176.421 -0.118 18833 9955 1 19 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.999 0.515 18833 9956 1 19 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.968 -0.039 18833 9957 1 20 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.551 -0.079 18833 9958 1 20 . 1 1 2 2 PRO C C 2 175.867 175.867 176.504 -0.637 18833 9959 1 20 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.606 0.234 18833 9960 1 20 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.457 -0.144 18833 9961 1 20 . 1 1 3 3 LYS N N 3 124.698 124.698 122.185 2.513 18833 9962 1 20 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.528 0.079 18833 9963 1 20 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.616 -1.009 18833 9964 1 20 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.154 -0.567 18833 9965 1 20 . 1 1 3 3 LYS H H 3 8.933 8.933 8.335 0.598 18833 9966 1 20 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.320 -0.379 18833 9967 1 20 . 1 1 4 4 PRO C C 4 177.504 177.504 177.711 -0.207 18833 9968 1 20 . 1 1 4 4 PRO CA C 4 64.512 64.512 63.856 0.656 18833 9969 1 20 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.662 0.008 18833 9970 1 20 . 1 1 5 5 GLY N N 5 113.652 113.652 112.191 1.461 18833 9971 1 20 . 1 1 5 5 GLY C C 5 174.146 174.146 174.125 0.021 18833 9972 1 20 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.800 0.272 18833 9973 1 20 . 1 1 5 5 GLY H H 5 9.014 9.014 7.940 1.074 18833 9974 1 20 . 1 1 6 6 ASP N N 6 121.766 121.766 122.136 -0.370 18833 9975 1 20 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.589 0.082 18833 9976 1 20 . 1 1 6 6 ASP C C 6 175.762 175.762 175.644 0.118 18833 9977 1 20 . 1 1 6 6 ASP CA C 6 54.899 54.899 54.893 0.006 18833 9978 1 20 . 1 1 6 6 ASP CB C 6 41.406 41.406 41.857 -0.451 18833 9979 1 20 . 1 1 6 6 ASP H H 6 8.489 8.489 7.776 0.713 18833 9980 1 20 . 1 1 7 7 ILE N N 7 121.794 121.794 125.720 -3.926 18833 9981 1 20 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.669 0.664 18833 9982 1 20 . 1 1 7 7 ILE C C 7 176.854 176.854 175.999 0.855 18833 9983 1 20 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.676 -1.044 18833 9984 1 20 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.237 -1.022 18833 9985 1 20 . 1 1 7 7 ILE H H 7 8.368 8.368 8.362 0.006 18833 9986 1 20 . 1 1 8 8 PHE N N 8 125.873 125.873 125.141 0.732 18833 9987 1 20 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.034 0.030 18833 9988 1 20 . 1 1 8 8 PHE C C 8 171.167 171.167 173.895 -2.728 18833 9989 1 20 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.410 0.140 18833 9990 1 20 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.792 -0.459 18833 9991 1 20 . 1 1 8 8 PHE H H 8 9.498 9.498 8.816 0.682 18833 9992 1 20 . 1 1 9 9 GLU N N 9 119.065 119.065 120.729 -1.664 18833 9993 1 20 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.886 0.329 18833 9994 1 20 . 1 1 9 9 GLU C C 9 176.019 176.019 176.294 -0.275 18833 9995 1 20 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.520 -1.531 18833 9996 1 20 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.210 2.201 18833 9997 1 20 . 1 1 9 9 GLU H H 9 8.502 8.502 8.591 -0.089 18833 9998 1 20 . 1 1 10 10 VAL N N 10 120.078 120.078 124.795 -4.717 18833 9999 1 20 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.418 -0.283 18833 10000 1 20 . 1 1 10 10 VAL C C 10 173.177 173.177 174.183 -1.006 18833 10001 1 20 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.836 0.277 18833 10002 1 20 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.225 1.556 18833 10003 1 20 . 1 1 10 10 VAL H H 10 8.581 8.581 9.153 -0.572 18833 10004 1 20 . 1 1 11 11 GLU N N 11 126.482 126.482 126.788 -0.306 18833 10005 1 20 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.044 -0.045 18833 10006 1 20 . 1 1 11 11 GLU C C 11 174.618 174.618 175.017 -0.399 18833 10007 1 20 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.350 0.464 18833 10008 1 20 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.660 0.348 18833 10009 1 20 . 1 1 11 11 GLU H H 11 7.810 7.810 8.572 -0.762 18833 10010 1 20 . 1 1 12 12 LEU N N 12 126.093 126.093 126.167 -0.074 18833 10011 1 20 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.638 0.016 18833 10012 1 20 . 1 1 12 12 LEU C C 12 174.013 174.013 174.766 -0.753 18833 10013 1 20 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.434 -0.261 18833 10014 1 20 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.588 2.278 18833 10015 1 20 . 1 1 12 12 LEU H H 12 8.888 8.888 8.553 0.335 18833 10016 1 20 . 1 1 13 13 ALA N N 13 126.137 126.137 128.660 -2.523 18833 10017 1 20 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.870 0.231 18833 10018 1 20 . 1 1 13 13 ALA C C 13 177.290 177.290 177.208 0.082 18833 10019 1 20 . 1 1 13 13 ALA CA C 13 49.883 49.883 50.855 -0.972 18833 10020 1 20 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.993 -1.584 18833 10021 1 20 . 1 1 13 13 ALA H H 13 8.494 8.494 8.490 0.004 18833 10022 1 20 . 1 1 14 14 LYS N N 14 120.270 120.270 121.485 -1.215 18833 10023 1 20 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.567 -0.769 18833 10024 1 20 . 1 1 14 14 LYS C C 14 176.313 176.313 176.052 0.261 18833 10025 1 20 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.316 2.482 18833 10026 1 20 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.450 2.463 18833 10027 1 20 . 1 1 14 14 LYS H H 14 8.486 8.486 8.193 0.293 18833 10028 1 20 . 1 1 15 15 ASN N N 15 117.746 117.746 117.577 0.169 18833 10029 1 20 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.564 0.260 18833 10030 1 20 . 1 1 15 15 ASN CA C 15 52.779 52.779 55.384 -2.605 18833 10031 1 20 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.206 1.916 18833 10032 1 20 . 1 1 15 15 ASN H H 15 8.139 8.139 8.172 -0.033 18833 10033 1 20 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.472 -0.171 18833 10034 1 20 . 1 1 16 16 ASP C C 16 175.367 175.367 175.630 -0.263 18833 10035 1 20 . 1 1 16 16 ASP CA C 16 55.452 55.452 56.396 -0.944 18833 10036 1 20 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.599 -2.143 18833 10037 1 20 . 1 1 17 17 ASN N N 17 111.793 111.793 112.573 -0.780 18833 10038 1 20 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.803 -0.423 18833 10039 1 20 . 1 1 17 17 ASN C C 17 174.599 174.599 173.715 0.884 18833 10040 1 20 . 1 1 17 17 ASN CA C 17 53.793 53.793 52.243 1.550 18833 10041 1 20 . 1 1 17 17 ASN CB C 17 38.716 38.716 40.622 -1.906 18833 10042 1 20 . 1 1 17 17 ASN H H 17 8.698 8.698 7.924 0.774 18833 10043 1 20 . 1 1 18 18 SER N N 18 112.321 112.321 114.109 -1.788 18833 10044 1 20 . 1 1 18 18 SER HA H 18 4.827 4.827 4.285 0.542 18833 10045 1 20 . 1 1 18 18 SER CA C 18 56.795 56.795 59.361 -2.566 18833 10046 1 20 . 1 1 18 18 SER CB C 18 64.855 64.855 63.674 1.181 18833 10047 1 20 . 1 1 18 18 SER H H 18 7.989 7.989 8.312 -0.323 18833 10048 1 20 . 1 1 19 19 LEU N N 19 127.097 127.097 122.160 4.937 18833 10049 1 20 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.030 0.136 18833 10050 1 20 . 1 1 19 19 LEU C C 19 177.329 177.329 178.708 -1.379 18833 10051 1 20 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.896 -0.383 18833 10052 1 20 . 1 1 19 19 LEU CB C 19 43.319 43.319 41.318 2.001 18833 10053 1 20 . 1 1 19 19 LEU H H 19 9.247 9.247 8.349 0.898 18833 10054 1 20 . 1 1 20 20 GLY N N 20 104.340 104.340 106.546 -2.206 18833 10055 1 20 . 1 1 20 20 GLY C C 20 175.984 175.984 173.711 2.273 18833 10056 1 20 . 1 1 20 20 GLY CA C 20 46.799 46.799 46.046 0.753 18833 10057 1 20 . 1 1 20 20 GLY H H 20 8.664 8.664 8.510 0.154 18833 10058 1 20 . 1 1 21 21 ILE N N 21 115.279 115.279 117.623 -2.344 18833 10059 1 20 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.113 -0.117 18833 10060 1 20 . 1 1 21 21 ILE C C 21 175.972 175.972 175.284 0.688 18833 10061 1 20 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.826 -0.045 18833 10062 1 20 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.747 0.875 18833 10063 1 20 . 1 1 21 21 ILE H H 21 7.614 7.614 7.707 -0.093 18833 10064 1 20 . 1 1 22 22 CYS N N 22 122.210 122.210 121.390 0.820 18833 10065 1 20 . 1 1 22 22 CYS HA H 22 5.271 5.271 5.072 0.199 18833 10066 1 20 . 1 1 22 22 CYS C C 22 175.904 175.904 172.953 2.951 18833 10067 1 20 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.518 -5.573 18833 10068 1 20 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.075 4.117 18833 10069 1 20 . 1 1 22 22 CYS H H 22 8.506 8.506 8.548 -0.042 18833 10070 1 20 . 1 1 23 23 VAL N N 23 117.739 117.739 115.830 1.909 18833 10071 1 20 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.339 0.128 18833 10072 1 20 . 1 1 23 23 VAL C C 23 173.821 173.821 174.047 -0.226 18833 10073 1 20 . 1 1 23 23 VAL CA C 23 59.820 59.820 59.957 -0.137 18833 10074 1 20 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.433 0.322 18833 10075 1 20 . 1 1 23 23 VAL H H 23 9.203 9.203 8.477 0.726 18833 10076 1 20 . 1 1 24 24 THR N N 24 114.753 114.753 113.735 1.018 18833 10077 1 20 . 1 1 24 24 THR HA H 24 4.649 4.649 4.761 -0.112 18833 10078 1 20 . 1 1 24 24 THR C C 24 171.786 171.786 173.143 -1.357 18833 10079 1 20 . 1 1 24 24 THR CA C 24 59.529 59.529 59.745 -0.215 18833 10080 1 20 . 1 1 24 24 THR CB C 24 70.563 70.563 70.059 0.504 18833 10081 1 20 . 1 1 24 24 THR H H 24 9.237 9.237 8.801 0.436 18833 10082 1 20 . 1 1 25 25 GLY N N 25 111.927 111.927 109.982 1.945 18833 10083 1 20 . 1 1 25 25 GLY C C 25 174.099 174.099 172.827 1.272 18833 10084 1 20 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.826 -0.214 18833 10085 1 20 . 1 1 25 25 GLY H H 25 8.291 8.291 8.632 -0.341 18833 10086 1 20 . 1 1 26 26 GLY N N 26 107.140 107.140 107.384 -0.244 18833 10087 1 20 . 1 1 26 26 GLY C C 26 176.180 176.180 175.598 0.582 18833 10088 1 20 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.253 -1.450 18833 10089 1 20 . 1 1 26 26 GLY H H 26 7.545 7.545 7.813 -0.268 18833 10090 1 20 . 1 1 27 27 VAL N N 27 116.837 116.837 122.372 -5.535 18833 10091 1 20 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.935 0.191 18833 10092 1 20 . 1 1 27 27 VAL C C 27 175.764 175.764 175.988 -0.224 18833 10093 1 20 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.260 1.535 18833 10094 1 20 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.823 1.160 18833 10095 1 20 . 1 1 27 27 VAL H H 27 8.091 8.091 8.375 -0.284 18833 10096 1 20 . 1 1 28 28 ASN N N 28 117.997 117.997 117.686 0.311 18833 10097 1 20 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.378 0.431 18833 10098 1 20 . 1 1 28 28 ASN C C 28 174.860 174.860 174.452 0.408 18833 10099 1 20 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.716 -0.261 18833 10100 1 20 . 1 1 28 28 ASN CB C 28 37.747 37.747 37.323 0.424 18833 10101 1 20 . 1 1 28 28 ASN H H 28 8.795 8.795 8.183 0.612 18833 10102 1 20 . 1 1 29 29 THR N N 29 111.381 111.381 113.956 -2.575 18833 10103 1 20 . 1 1 29 29 THR HA H 29 4.689 4.689 4.421 0.268 18833 10104 1 20 . 1 1 29 29 THR CA C 29 61.526 61.526 60.461 1.065 18833 10105 1 20 . 1 1 29 29 THR CB C 29 70.889 70.889 69.499 1.390 18833 10106 1 20 . 1 1 29 29 THR H H 29 7.858 7.858 8.245 -0.387 18833 10107 1 20 . 1 1 30 30 SER N N 30 114.070 114.070 115.872 -1.802 18833 10108 1 20 . 1 1 30 30 SER HA H 30 4.535 4.535 4.135 0.400 18833 10109 1 20 . 1 1 30 30 SER C C 30 174.879 174.879 174.262 0.617 18833 10110 1 20 . 1 1 30 30 SER CA C 30 58.380 58.380 60.269 -1.889 18833 10111 1 20 . 1 1 30 30 SER CB C 30 63.532 63.532 63.094 0.438 18833 10112 1 20 . 1 1 30 30 SER H H 30 8.433 8.433 8.679 -0.246 18833 10113 1 20 . 1 1 31 31 VAL N N 31 118.337 118.337 115.839 2.498 18833 10114 1 20 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.079 0.012 18833 10115 1 20 . 1 1 31 31 VAL C C 31 176.528 176.528 176.094 0.434 18833 10116 1 20 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.510 0.635 18833 10117 1 20 . 1 1 31 31 VAL CB C 31 32.500 32.500 31.800 0.700 18833 10118 1 20 . 1 1 31 31 VAL H H 31 7.588 7.588 7.417 0.171 18833 10119 1 20 . 1 1 32 32 ARG N N 32 124.670 124.670 126.810 -2.140 18833 10120 1 20 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.173 -0.162 18833 10121 1 20 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.212 -0.240 18833 10122 1 20 . 1 1 32 32 ARG CB C 32 29.575 29.575 29.951 -0.376 18833 10123 1 20 . 1 1 32 32 ARG H H 32 8.511 8.511 8.753 -0.242 18833 10124 1 20 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.462 0.111 18833 10125 1 20 . 1 1 33 33 HIS C C 33 175.064 175.064 176.274 -1.210 18833 10126 1 20 . 1 1 33 33 HIS CA C 33 56.831 56.831 57.102 -0.271 18833 10127 1 20 . 1 1 33 33 HIS CB C 33 29.118 29.118 30.030 -0.912 18833 10128 1 20 . 1 1 34 34 GLY N N 34 109.531 109.531 107.708 1.823 18833 10129 1 20 . 1 1 34 34 GLY C C 34 174.582 174.582 175.130 -0.548 18833 10130 1 20 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.733 0.848 18833 10131 1 20 . 1 1 34 34 GLY H H 34 8.471 8.471 7.726 0.745 18833 10132 1 20 . 1 1 35 35 GLY N N 35 105.151 105.151 107.890 -2.739 18833 10133 1 20 . 1 1 35 35 GLY C C 35 170.505 170.505 174.002 -3.497 18833 10134 1 20 . 1 1 35 35 GLY CA C 35 44.577 44.577 44.031 0.547 18833 10135 1 20 . 1 1 35 35 GLY H H 35 7.833 7.833 7.930 -0.097 18833 10136 1 20 . 1 1 36 36 ILE N N 36 119.676 119.676 120.706 -1.030 18833 10137 1 20 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.732 -0.020 18833 10138 1 20 . 1 1 36 36 ILE C C 36 174.641 174.641 175.347 -0.706 18833 10139 1 20 . 1 1 36 36 ILE CA C 36 57.084 57.084 58.953 -1.869 18833 10140 1 20 . 1 1 36 36 ILE CB C 36 35.732 35.732 37.254 -1.522 18833 10141 1 20 . 1 1 36 36 ILE H H 36 8.350 8.350 7.705 0.645 18833 10142 1 20 . 1 1 37 37 TYR N N 37 123.307 123.307 125.781 -2.474 18833 10143 1 20 . 1 1 37 37 TYR HA H 37 5.307 5.307 5.221 0.086 18833 10144 1 20 . 1 1 37 37 TYR C C 37 176.165 176.165 175.947 0.218 18833 10145 1 20 . 1 1 37 37 TYR CA C 37 55.847 55.847 56.260 -0.413 18833 10146 1 20 . 1 1 37 37 TYR CB C 37 42.329 42.329 41.886 0.442 18833 10147 1 20 . 1 1 37 37 TYR H H 37 8.892 8.892 9.339 -0.447 18833 10148 1 20 . 1 1 38 38 VAL N N 38 120.580 120.580 121.585 -1.005 18833 10149 1 20 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.024 -0.288 18833 10150 1 20 . 1 1 38 38 VAL C C 38 175.983 175.983 176.291 -0.308 18833 10151 1 20 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.671 -0.001 18833 10152 1 20 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.567 -0.039 18833 10153 1 20 . 1 1 38 38 VAL H H 38 9.365 9.365 9.101 0.264 18833 10154 1 20 . 1 1 39 39 LYS N N 39 133.297 133.297 128.953 4.344 18833 10155 1 20 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.437 -0.052 18833 10156 1 20 . 1 1 39 39 LYS C C 39 174.520 174.520 175.579 -1.059 18833 10157 1 20 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.177 0.332 18833 10158 1 20 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.728 -0.095 18833 10159 1 20 . 1 1 39 39 LYS H H 39 9.560 9.560 8.817 0.743 18833 10160 1 20 . 1 1 40 40 ALA N N 40 118.155 118.155 122.491 -4.336 18833 10161 1 20 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.641 -0.136 18833 10162 1 20 . 1 1 40 40 ALA C C 40 174.639 174.639 175.039 -0.400 18833 10163 1 20 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.487 0.308 18833 10164 1 20 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.683 0.797 18833 10165 1 20 . 1 1 40 40 ALA H H 40 7.498 7.498 7.594 -0.096 18833 10166 1 20 . 1 1 41 41 VAL N N 41 121.634 121.634 120.825 0.809 18833 10167 1 20 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.579 -0.170 18833 10168 1 20 . 1 1 41 41 VAL C C 41 175.829 175.829 175.677 0.152 18833 10169 1 20 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.164 1.139 18833 10170 1 20 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.749 -2.554 18833 10171 1 20 . 1 1 41 41 VAL H H 41 8.634 8.634 8.242 0.392 18833 10172 1 20 . 1 1 42 42 ILE N N 42 128.094 128.094 127.544 0.550 18833 10173 1 20 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.274 -0.128 18833 10174 1 20 . 1 1 42 42 ILE CA C 42 58.646 58.646 58.374 0.272 18833 10175 1 20 . 1 1 42 42 ILE CB C 42 38.005 38.005 37.769 0.236 18833 10176 1 20 . 1 1 42 42 ILE H H 42 7.944 7.944 8.308 -0.364 18833 10177 1 20 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.613 -0.162 18833 10178 1 20 . 1 1 43 43 PRO C C 43 177.234 177.234 176.434 0.800 18833 10179 1 20 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.082 1.115 18833 10180 1 20 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.163 0.682 18833 10181 1 20 . 1 1 44 44 GLN N N 44 116.825 116.825 115.919 0.906 18833 10182 1 20 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.920 -0.071 18833 10183 1 20 . 1 1 44 44 GLN C C 44 175.752 175.752 175.466 0.286 18833 10184 1 20 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.635 1.497 18833 10185 1 20 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.671 -0.197 18833 10186 1 20 . 1 1 44 44 GLN H H 44 9.345 9.345 8.592 0.753 18833 10187 1 20 . 1 1 45 45 GLY N N 45 106.186 106.186 105.044 1.142 18833 10188 1 20 . 1 1 45 45 GLY C C 45 174.374 174.374 174.179 0.195 18833 10189 1 20 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.243 0.480 18833 10190 1 20 . 1 1 45 45 GLY H H 45 7.887 7.887 7.913 -0.026 18833 10191 1 20 . 1 1 46 46 ALA N N 46 120.843 120.843 122.714 -1.871 18833 10192 1 20 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.008 0.051 18833 10193 1 20 . 1 1 46 46 ALA C C 46 180.628 180.628 179.058 1.570 18833 10194 1 20 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.137 -0.102 18833 10195 1 20 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.657 -0.035 18833 10196 1 20 . 1 1 46 46 ALA H H 46 8.907 8.907 8.229 0.678 18833 10197 1 20 . 1 1 47 47 ALA N N 47 118.721 118.721 120.784 -2.063 18833 10198 1 20 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.937 0.134 18833 10199 1 20 . 1 1 47 47 ALA C C 47 180.589 180.589 179.315 1.274 18833 10200 1 20 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.267 -0.422 18833 10201 1 20 . 1 1 47 47 ALA CB C 47 18.769 18.769 18.033 0.736 18833 10202 1 20 . 1 1 47 47 ALA H H 47 7.856 7.856 8.547 -0.691 18833 10203 1 20 . 1 1 48 48 GLU N N 48 124.373 124.373 119.001 5.372 18833 10204 1 20 . 1 1 48 48 GLU HA H 48 3.809 3.809 4.064 -0.255 18833 10205 1 20 . 1 1 48 48 GLU C C 48 178.120 178.120 179.112 -0.992 18833 10206 1 20 . 1 1 48 48 GLU CA C 48 59.857 59.857 59.100 0.756 18833 10207 1 20 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.550 0.069 18833 10208 1 20 . 1 1 48 48 GLU H H 48 9.195 9.195 8.025 1.170 18833 10209 1 20 . 1 1 49 49 SER N N 49 113.220 113.220 114.564 -1.344 18833 10210 1 20 . 1 1 49 49 SER HA H 49 4.099 4.099 4.182 -0.083 18833 10211 1 20 . 1 1 49 49 SER C C 49 175.707 175.707 176.313 -0.606 18833 10212 1 20 . 1 1 49 49 SER CA C 49 61.168 61.168 60.714 0.454 18833 10213 1 20 . 1 1 49 49 SER CB C 49 62.775 62.775 63.292 -0.517 18833 10214 1 20 . 1 1 49 49 SER H H 49 8.020 8.020 8.117 -0.097 18833 10215 1 20 . 1 1 50 50 ASP N N 50 120.022 120.022 119.590 0.432 18833 10216 1 20 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.476 -0.096 18833 10217 1 20 . 1 1 50 50 ASP C C 50 177.650 177.650 177.183 0.467 18833 10218 1 20 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.717 1.480 18833 10219 1 20 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.645 2.590 18833 10220 1 20 . 1 1 50 50 ASP H H 50 7.579 7.579 7.812 -0.233 18833 10221 1 20 . 1 1 51 51 GLY N N 51 102.979 102.979 106.207 -3.228 18833 10222 1 20 . 1 1 51 51 GLY C C 51 175.026 175.026 175.192 -0.166 18833 10223 1 20 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.850 0.496 18833 10224 1 20 . 1 1 51 51 GLY H H 51 7.364 7.364 8.340 -0.976 18833 10225 1 20 . 1 1 52 52 ARG N N 52 117.501 117.501 118.571 -1.070 18833 10226 1 20 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.190 0.118 18833 10227 1 20 . 1 1 52 52 ARG C C 52 175.898 175.898 175.971 -0.073 18833 10228 1 20 . 1 1 52 52 ARG CA C 52 57.904 57.904 56.193 1.711 18833 10229 1 20 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.841 2.158 18833 10230 1 20 . 1 1 52 52 ARG H H 52 7.958 7.958 7.949 0.009 18833 10231 1 20 . 1 1 53 53 ILE N N 53 120.028 120.028 118.849 1.179 18833 10232 1 20 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.024 0.208 18833 10233 1 20 . 1 1 53 53 ILE C C 53 173.773 173.773 174.475 -0.702 18833 10234 1 20 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.953 0.476 18833 10235 1 20 . 1 1 53 53 ILE CB C 53 39.699 39.699 38.618 1.081 18833 10236 1 20 . 1 1 53 53 ILE H H 53 8.223 8.223 7.542 0.681 18833 10237 1 20 . 1 1 54 54 HIS N N 54 123.681 123.681 125.224 -1.543 18833 10238 1 20 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.882 -0.081 18833 10239 1 20 . 1 1 54 54 HIS C C 54 173.826 173.826 174.415 -0.589 18833 10240 1 20 . 1 1 54 54 HIS CA C 54 54.885 54.885 53.843 1.042 18833 10241 1 20 . 1 1 54 54 HIS CB C 54 33.499 33.499 32.537 0.962 18833 10242 1 20 . 1 1 54 54 HIS H H 54 9.073 9.073 9.437 -0.364 18833 10243 1 20 . 1 1 55 55 LYS N N 55 120.814 120.814 120.621 0.193 18833 10244 1 20 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.068 -0.458 18833 10245 1 20 . 1 1 55 55 LYS C C 55 177.014 177.014 177.402 -0.388 18833 10246 1 20 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.420 1.013 18833 10247 1 20 . 1 1 55 55 LYS CB C 55 32.360 32.360 31.820 0.540 18833 10248 1 20 . 1 1 55 55 LYS H H 55 8.715 8.715 8.650 0.065 18833 10249 1 20 . 1 1 56 56 GLY N N 56 114.423 114.423 115.289 -0.866 18833 10250 1 20 . 1 1 56 56 GLY C C 56 174.469 174.469 174.470 -0.001 18833 10251 1 20 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.021 -0.183 18833 10252 1 20 . 1 1 56 56 GLY H H 56 9.128 9.128 8.545 0.583 18833 10253 1 20 . 1 1 57 57 ASP N N 57 121.735 121.735 122.992 -1.257 18833 10254 1 20 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.661 0.222 18833 10255 1 20 . 1 1 57 57 ASP C C 57 174.808 174.808 174.685 0.123 18833 10256 1 20 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.980 -0.153 18833 10257 1 20 . 1 1 57 57 ASP CB C 57 41.055 41.055 41.775 -0.720 18833 10258 1 20 . 1 1 57 57 ASP H H 57 8.033 8.033 7.740 0.293 18833 10259 1 20 . 1 1 58 58 ARG N N 58 123.530 123.530 122.570 0.960 18833 10260 1 20 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.557 0.081 18833 10261 1 20 . 1 1 58 58 ARG C C 58 175.641 175.641 174.670 0.971 18833 10262 1 20 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.966 -0.266 18833 10263 1 20 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.616 2.015 18833 10264 1 20 . 1 1 58 58 ARG H H 58 9.097 9.097 8.358 0.739 18833 10265 1 20 . 1 1 59 59 VAL N N 59 126.202 126.202 124.374 1.828 18833 10266 1 20 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.462 -0.557 18833 10267 1 20 . 1 1 59 59 VAL C C 59 174.515 174.515 175.317 -0.802 18833 10268 1 20 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.393 0.759 18833 10269 1 20 . 1 1 59 59 VAL CB C 59 31.074 31.074 33.187 -2.113 18833 10270 1 20 . 1 1 59 59 VAL H H 59 8.898 8.898 8.688 0.210 18833 10271 1 20 . 1 1 60 60 LEU N N 60 127.209 127.209 121.484 5.725 18833 10272 1 20 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.897 -0.577 18833 10273 1 20 . 1 1 60 60 LEU C C 60 178.352 178.352 176.139 2.213 18833 10274 1 20 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.967 1.194 18833 10275 1 20 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.265 -0.640 18833 10276 1 20 . 1 1 60 60 LEU H H 60 9.193 9.193 8.852 0.341 18833 10277 1 20 . 1 1 61 61 ALA N N 61 118.965 118.965 120.209 -1.244 18833 10278 1 20 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.118 -0.179 18833 10279 1 20 . 1 1 61 61 ALA C C 61 175.332 175.332 175.283 0.049 18833 10280 1 20 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.456 1.835 18833 10281 1 20 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.739 -0.653 18833 10282 1 20 . 1 1 61 61 ALA H H 61 7.759 7.759 7.371 0.388 18833 10283 1 20 . 1 1 62 62 VAL N N 62 119.695 119.695 119.268 0.427 18833 10284 1 20 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.547 -0.063 18833 10285 1 20 . 1 1 62 62 VAL C C 62 175.538 175.538 176.000 -0.462 18833 10286 1 20 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.302 -0.765 18833 10287 1 20 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.018 -0.057 18833 10288 1 20 . 1 1 62 62 VAL H H 62 8.218 8.218 8.448 -0.230 18833 10289 1 20 . 1 1 63 63 ASN N N 63 128.940 128.940 127.974 0.966 18833 10290 1 20 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.450 0.121 18833 10291 1 20 . 1 1 63 63 ASN C C 63 175.155 175.155 175.541 -0.386 18833 10292 1 20 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.439 0.020 18833 10293 1 20 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.115 -1.196 18833 10294 1 20 . 1 1 63 63 ASN H H 63 10.387 10.387 9.564 0.823 18833 10295 1 20 . 1 1 64 64 GLY N N 64 103.432 103.432 102.038 1.394 18833 10296 1 20 . 1 1 64 64 GLY C C 64 173.902 173.902 174.165 -0.263 18833 10297 1 20 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.102 0.095 18833 10298 1 20 . 1 1 64 64 GLY H H 64 9.094 9.094 8.658 0.436 18833 10299 1 20 . 1 1 65 65 VAL N N 65 123.418 123.418 122.250 1.168 18833 10300 1 20 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.200 -0.224 18833 10301 1 20 . 1 1 65 65 VAL C C 65 175.675 175.675 175.428 0.247 18833 10302 1 20 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.156 0.906 18833 10303 1 20 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.838 -1.009 18833 10304 1 20 . 1 1 65 65 VAL H H 65 7.948 7.948 7.843 0.105 18833 10305 1 20 . 1 1 66 66 SER N N 66 121.122 121.122 124.553 -3.431 18833 10306 1 20 . 1 1 66 66 SER HA H 66 4.365 4.365 4.395 -0.030 18833 10307 1 20 . 1 1 66 66 SER C C 66 176.402 176.402 174.050 2.352 18833 10308 1 20 . 1 1 66 66 SER CA C 66 58.310 58.310 59.246 -0.936 18833 10309 1 20 . 1 1 66 66 SER CB C 66 63.651 63.651 63.241 0.410 18833 10310 1 20 . 1 1 66 66 SER H H 66 8.671 8.671 8.763 -0.092 18833 10311 1 20 . 1 1 67 67 LEU N N 67 125.351 125.351 125.371 -0.020 18833 10312 1 20 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.523 -0.083 18833 10313 1 20 . 1 1 67 67 LEU C C 67 176.359 176.359 177.007 -0.648 18833 10314 1 20 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.064 -0.197 18833 10315 1 20 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.871 -0.890 18833 10316 1 20 . 1 1 67 67 LEU H H 67 8.205 8.205 8.113 0.092 18833 10317 1 20 . 1 1 68 68 GLU N N 68 123.211 123.211 119.337 3.874 18833 10318 1 20 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.140 -0.094 18833 10319 1 20 . 1 1 68 68 GLU C C 68 177.820 177.820 177.783 0.037 18833 10320 1 20 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.595 0.940 18833 10321 1 20 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.280 -0.200 18833 10322 1 20 . 1 1 68 68 GLU H H 68 8.300 8.300 7.890 0.410 18833 10323 1 20 . 1 1 69 69 GLY N N 69 115.507 115.507 113.045 2.462 18833 10324 1 20 . 1 1 69 69 GLY C C 69 173.652 173.652 174.531 -0.879 18833 10325 1 20 . 1 1 69 69 GLY CA C 69 45.347 45.347 45.164 0.183 18833 10326 1 20 . 1 1 69 69 GLY H H 69 8.945 8.945 9.155 -0.210 18833 10327 1 20 . 1 1 70 70 ALA N N 70 122.308 122.308 123.856 -1.548 18833 10328 1 20 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.327 0.163 18833 10329 1 20 . 1 1 70 70 ALA C C 70 179.583 179.583 176.414 3.169 18833 10330 1 20 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.245 0.239 18833 10331 1 20 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.542 0.046 18833 10332 1 20 . 1 1 70 70 ALA H H 70 7.882 7.882 7.434 0.448 18833 10333 1 20 . 1 1 71 71 THR N N 71 111.173 111.173 108.974 2.199 18833 10334 1 20 . 1 1 71 71 THR HA H 71 4.526 4.526 4.390 0.136 18833 10335 1 20 . 1 1 71 71 THR C C 71 174.660 174.660 175.816 -1.156 18833 10336 1 20 . 1 1 71 71 THR CA C 71 60.732 60.732 60.817 -0.085 18833 10337 1 20 . 1 1 71 71 THR CB C 71 71.196 71.196 70.814 0.382 18833 10338 1 20 . 1 1 71 71 THR H H 71 8.185 8.185 8.043 0.142 18833 10339 1 20 . 1 1 72 72 HIS N N 72 121.107 121.107 120.693 0.414 18833 10340 1 20 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.328 -0.327 18833 10341 1 20 . 1 1 72 72 HIS C C 72 176.702 176.702 177.497 -0.795 18833 10342 1 20 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.482 1.970 18833 10343 1 20 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.519 0.790 18833 10344 1 20 . 1 1 72 72 HIS H H 72 9.077 9.077 8.726 0.351 18833 10345 1 20 . 1 1 73 73 LYS N N 73 116.672 116.672 119.516 -2.844 18833 10346 1 20 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.767 -0.011 18833 10347 1 20 . 1 1 73 73 LYS C C 73 178.603 178.603 178.572 0.031 18833 10348 1 20 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.761 0.261 18833 10349 1 20 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.760 0.700 18833 10350 1 20 . 1 1 73 73 LYS H H 73 8.473 8.473 7.760 0.713 18833 10351 1 20 . 1 1 74 74 GLN N N 74 116.558 116.558 118.573 -2.015 18833 10352 1 20 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.050 -0.118 18833 10353 1 20 . 1 1 74 74 GLN C C 74 179.891 179.891 178.160 1.731 18833 10354 1 20 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.764 -0.194 18833 10355 1 20 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.537 -0.212 18833 10356 1 20 . 1 1 74 74 GLN H H 74 7.568 7.568 7.528 0.040 18833 10357 1 20 . 1 1 75 75 ALA N N 75 123.337 123.337 121.030 2.307 18833 10358 1 20 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.096 -0.302 18833 10359 1 20 . 1 1 75 75 ALA C C 75 178.309 178.309 179.101 -0.792 18833 10360 1 20 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.124 0.544 18833 10361 1 20 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.347 1.021 18833 10362 1 20 . 1 1 75 75 ALA H H 75 8.320 8.320 7.799 0.521 18833 10363 1 20 . 1 1 76 76 VAL N N 76 118.172 118.172 118.775 -0.603 18833 10364 1 20 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.730 -0.543 18833 10365 1 20 . 1 1 76 76 VAL C C 76 179.705 179.705 177.450 2.255 18833 10366 1 20 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.107 1.045 18833 10367 1 20 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.615 -0.440 18833 10368 1 20 . 1 1 76 76 VAL H H 76 8.122 8.122 7.414 0.708 18833 10369 1 20 . 1 1 77 77 CYS N N 77 116.979 116.979 118.150 -1.171 18833 10370 1 20 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.045 0.156 18833 10371 1 20 . 1 1 77 77 CYS C C 77 177.004 177.004 177.610 -0.606 18833 10372 1 20 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.225 -1.333 18833 10373 1 20 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.452 11.091 18833 10374 1 20 . 1 1 77 77 CYS H H 77 8.327 8.327 8.412 -0.085 18833 10375 1 20 . 1 1 78 78 THR N N 78 117.521 117.521 116.707 0.814 18833 10376 1 20 . 1 1 78 78 THR HA H 78 3.867 3.867 3.994 -0.127 18833 10377 1 20 . 1 1 78 78 THR C C 78 176.306 176.306 176.892 -0.586 18833 10378 1 20 . 1 1 78 78 THR CA C 78 67.197 67.197 66.469 0.728 18833 10379 1 20 . 1 1 78 78 THR CB C 78 68.145 68.145 68.577 -0.432 18833 10380 1 20 . 1 1 78 78 THR H H 78 8.259 8.259 8.025 0.234 18833 10381 1 20 . 1 1 79 79 LEU N N 79 119.714 119.714 122.638 -2.924 18833 10382 1 20 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.990 -0.154 18833 10383 1 20 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.889 0.062 18833 10384 1 20 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.384 0.244 18833 10385 1 20 . 1 1 79 79 LEU H H 79 7.748 7.748 7.513 0.235 18833 10386 1 20 . 1 1 80 80 ARG N N 80 119.613 119.613 115.078 4.535 18833 10387 1 20 . 1 1 80 80 ARG HA H 80 4.115 4.115 4.007 0.108 18833 10388 1 20 . 1 1 80 80 ARG C C 80 177.905 177.905 177.361 0.544 18833 10389 1 20 . 1 1 80 80 ARG CA C 80 58.462 58.462 58.723 -0.261 18833 10390 1 20 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.964 0.806 18833 10391 1 20 . 1 1 80 80 ARG H H 80 7.944 7.944 7.813 0.131 18833 10392 1 20 . 1 1 81 81 ASN N N 81 119.257 119.257 114.733 4.524 18833 10393 1 20 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.778 0.183 18833 10394 1 20 . 1 1 81 81 ASN C C 81 175.030 175.030 175.386 -0.356 18833 10395 1 20 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.613 -0.807 18833 10396 1 20 . 1 1 81 81 ASN CB C 81 37.454 37.454 40.023 -2.569 18833 10397 1 20 . 1 1 81 81 ASN H H 81 7.843 7.843 7.865 -0.022 18833 10398 1 20 . 1 1 82 82 THR N N 82 109.817 109.817 113.300 -3.483 18833 10399 1 20 . 1 1 82 82 THR HA H 82 4.391 4.391 4.525 -0.134 18833 10400 1 20 . 1 1 82 82 THR C C 82 175.114 175.114 175.235 -0.121 18833 10401 1 20 . 1 1 82 82 THR CA C 82 60.155 60.155 61.826 -1.671 18833 10402 1 20 . 1 1 82 82 THR CB C 82 72.327 72.327 70.652 1.675 18833 10403 1 20 . 1 1 82 82 THR H H 82 7.514 7.514 7.520 -0.006 18833 10404 1 20 . 1 1 83 83 GLY N N 83 109.536 109.536 107.648 1.888 18833 10405 1 20 . 1 1 83 83 GLY C C 83 173.492 173.492 174.002 -0.510 18833 10406 1 20 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.195 -0.069 18833 10407 1 20 . 1 1 83 83 GLY H H 83 8.406 8.406 8.462 -0.056 18833 10408 1 20 . 1 1 84 84 GLN N N 84 117.293 117.293 118.693 -1.400 18833 10409 1 20 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.243 -0.275 18833 10410 1 20 . 1 1 84 84 GLN C C 84 175.351 175.351 175.542 -0.191 18833 10411 1 20 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.434 1.078 18833 10412 1 20 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.483 -0.460 18833 10413 1 20 . 1 1 84 84 GLN H H 84 8.218 8.218 8.404 -0.186 18833 10414 1 20 . 1 1 85 85 VAL N N 85 116.238 116.238 117.837 -1.599 18833 10415 1 20 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.579 0.113 18833 10416 1 20 . 1 1 85 85 VAL C C 85 175.864 175.864 175.485 0.379 18833 10417 1 20 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.000 0.342 18833 10418 1 20 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.137 0.237 18833 10419 1 20 . 1 1 85 85 VAL H H 85 7.715 7.715 7.621 0.094 18833 10420 1 20 . 1 1 86 86 VAL N N 86 128.273 128.273 127.261 1.012 18833 10421 1 20 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.389 0.135 18833 10422 1 20 . 1 1 86 86 VAL C C 86 173.320 173.320 174.461 -1.141 18833 10423 1 20 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.761 0.025 18833 10424 1 20 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.400 -0.295 18833 10425 1 20 . 1 1 86 86 VAL H H 86 9.034 9.034 8.456 0.578 18833 10426 1 20 . 1 1 87 87 HIS N N 87 126.224 126.224 125.153 1.071 18833 10427 1 20 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.985 0.052 18833 10428 1 20 . 1 1 87 87 HIS C C 87 174.442 174.442 174.492 -0.050 18833 10429 1 20 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.590 0.168 18833 10430 1 20 . 1 1 87 87 HIS CB C 87 31.501 31.501 30.122 1.379 18833 10431 1 20 . 1 1 87 87 HIS H H 87 8.761 8.761 8.843 -0.082 18833 10432 1 20 . 1 1 88 88 LEU N N 88 126.604 126.604 125.028 1.576 18833 10433 1 20 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.871 0.098 18833 10434 1 20 . 1 1 88 88 LEU C C 88 173.306 173.306 174.541 -1.235 18833 10435 1 20 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.628 0.021 18833 10436 1 20 . 1 1 88 88 LEU CB C 88 45.288 45.288 44.997 0.291 18833 10437 1 20 . 1 1 88 88 LEU H H 88 9.045 9.045 9.323 -0.278 18833 10438 1 20 . 1 1 89 89 LEU N N 89 124.501 124.501 124.797 -0.296 18833 10439 1 20 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.810 -0.089 18833 10440 1 20 . 1 1 89 89 LEU C C 89 175.180 175.180 174.351 0.829 18833 10441 1 20 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.399 0.339 18833 10442 1 20 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.533 0.833 18833 10443 1 20 . 1 1 89 89 LEU H H 89 7.977 7.977 8.475 -0.498 18833 10444 1 20 . 1 1 90 90 LEU N N 90 127.520 127.520 125.942 1.578 18833 10445 1 20 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.993 0.296 18833 10446 1 20 . 1 1 90 90 LEU C C 90 173.616 173.616 174.387 -0.771 18833 10447 1 20 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.456 0.699 18833 10448 1 20 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.189 -0.169 18833 10449 1 20 . 1 1 90 90 LEU H H 90 8.896 8.896 8.493 0.403 18833 10450 1 20 . 1 1 91 91 GLU N N 91 118.964 118.964 117.525 1.439 18833 10451 1 20 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.171 -0.085 18833 10452 1 20 . 1 1 91 91 GLU C C 91 176.652 176.652 175.574 1.078 18833 10453 1 20 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.015 -0.197 18833 10454 1 20 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.416 0.490 18833 10455 1 20 . 1 1 91 91 GLU H H 91 8.825 8.825 7.981 0.844 18833 10456 1 20 . 1 1 92 92 LYS N N 92 128.805 128.805 120.827 7.978 18833 10457 1 20 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.526 -0.157 18833 10458 1 20 . 1 1 92 92 LYS C C 92 178.011 178.011 176.866 1.145 18833 10459 1 20 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.590 -0.250 18833 10460 1 20 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.233 -1.164 18833 10461 1 20 . 1 1 92 92 LYS H H 92 9.333 9.333 8.947 0.386 18833 10462 1 20 . 1 1 93 93 GLY N N 93 117.774 117.774 109.078 8.696 18833 10463 1 20 . 1 1 93 93 GLY C C 93 173.157 173.157 173.068 0.089 18833 10464 1 20 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.874 0.301 18833 10465 1 20 . 1 1 93 93 GLY H H 93 9.735 9.735 8.528 1.207 18833 10466 1 20 . 1 1 94 94 GLN N N 94 116.912 116.912 119.027 -2.115 18833 10467 1 20 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.701 -0.437 18833 10468 1 20 . 1 1 94 94 GLN C C 94 175.955 175.955 175.049 0.906 18833 10469 1 20 . 1 1 94 94 GLN CA C 94 55.501 55.501 54.407 1.094 18833 10470 1 20 . 1 1 94 94 GLN CB C 94 29.718 29.718 29.600 0.118 18833 10471 1 20 . 1 1 94 94 GLN H H 94 8.243 8.243 7.894 0.349 18833 10472 1 20 . 1 1 95 95 SER N N 95 118.157 118.157 118.598 -0.441 18833 10473 1 20 . 1 1 95 95 SER HA H 95 4.662 4.662 4.916 -0.254 18833 10474 1 20 . 1 1 95 95 SER CA C 95 56.615 56.615 57.151 -0.536 18833 10475 1 20 . 1 1 95 95 SER CB C 95 63.203 63.203 62.822 0.381 18833 10476 1 20 . 1 1 95 95 SER H H 95 8.396 8.396 8.363 0.033 18833 10477 1 20 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.487 -0.010 18833 10478 1 20 . 1 1 96 96 PRO C C 96 176.303 176.303 176.633 -0.330 18833 10479 1 20 . 1 1 96 96 PRO CA C 96 63.514 63.514 62.793 0.721 18833 10480 1 20 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.857 0.072 18833 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 89 2.741 -0.133 2.753 18833 2 1 1 "Average Difference" HA 108 0.334 -0.041 0.333 18833 3 1 1 "Average Difference" C 87 1.085 -0.079 1.088 18833 4 1 1 "Average Difference" CA 95 1.099 -0.105 1.099 18833 5 1 1 "Average Difference" CB 82 1.744 -0.267 1.734 18833 6 1 1 "Average Difference" HN 89 0.492 -0.187 0.458 18833 7 1 2 "Average Difference" N 89 2.692 0.046 2.707 18833 8 1 2 "Average Difference" HA 108 0.336 -0.050 0.334 18833 9 1 2 "Average Difference" C 87 1.087 -0.023 1.093 18833 10 1 2 "Average Difference" CA 95 1.121 -0.072 1.124 18833 11 1 2 "Average Difference" CB 82 1.732 -0.359 1.705 18833 12 1 2 "Average Difference" HN 89 0.480 -0.169 0.452 18833 13 1 3 "Average Difference" N 89 2.736 -0.019 2.751 18833 14 1 3 "Average Difference" HA 108 0.340 -0.020 0.341 18833 15 1 3 "Average Difference" C 87 1.033 -0.057 1.037 18833 16 1 3 "Average Difference" CA 95 1.117 -0.141 1.114 18833 17 1 3 "Average Difference" CB 82 1.722 -0.403 1.684 18833 18 1 3 "Average Difference" HN 89 0.481 -0.136 0.464 18833 19 1 4 "Average Difference" N 89 2.701 0.255 2.704 18833 20 1 4 "Average Difference" HA 108 0.309 -0.046 0.307 18833 21 1 4 "Average Difference" C 87 1.076 0.007 1.083 18833 22 1 4 "Average Difference" CA 95 1.127 -0.098 1.129 18833 23 1 4 "Average Difference" CB 82 1.733 -0.474 1.677 18833 24 1 4 "Average Difference" HN 89 0.496 -0.163 0.471 18833 25 1 5 "Average Difference" N 89 2.776 0.174 2.786 18833 26 1 5 "Average Difference" HA 108 0.320 -0.041 0.319 18833 27 1 5 "Average Difference" C 87 1.074 -0.021 1.080 18833 28 1 5 "Average Difference" CA 95 1.083 -0.052 1.087 18833 29 1 5 "Average Difference" CB 82 1.729 -0.436 1.684 18833 30 1 5 "Average Difference" HN 89 0.467 -0.155 0.444 18833 31 1 6 "Average Difference" N 89 2.728 -0.038 2.743 18833 32 1 6 "Average Difference" HA 108 0.332 -0.014 0.333 18833 33 1 6 "Average Difference" C 87 1.090 -0.130 1.088 18833 34 1 6 "Average Difference" CA 95 1.089 -0.163 1.083 18833 35 1 6 "Average Difference" CB 82 1.747 -0.260 1.738 18833 36 1 6 "Average Difference" HN 89 0.459 -0.151 0.436 18833 37 1 7 "Average Difference" N 89 2.761 0.229 2.767 18833 38 1 7 "Average Difference" HA 108 0.313 -0.032 0.313 18833 39 1 7 "Average Difference" C 87 1.029 0.006 1.035 18833 40 1 7 "Average Difference" CA 95 1.150 -0.085 1.153 18833 41 1 7 "Average Difference" CB 82 1.741 -0.355 1.715 18833 42 1 7 "Average Difference" HN 89 0.470 -0.131 0.454 18833 43 1 8 "Average Difference" N 89 2.851 -0.098 2.865 18833 44 1 8 "Average Difference" HA 108 0.325 -0.032 0.325 18833 45 1 8 "Average Difference" C 87 1.017 -0.092 1.019 18833 46 1 8 "Average Difference" CA 95 1.086 -0.225 1.068 18833 47 1 8 "Average Difference" CB 82 1.738 -0.358 1.711 18833 48 1 8 "Average Difference" HN 89 0.487 -0.152 0.466 18833 49 1 9 "Average Difference" N 89 2.827 -0.018 2.843 18833 50 1 9 "Average Difference" HA 108 0.340 -0.048 0.338 18833 51 1 9 "Average Difference" C 87 1.040 -0.065 1.044 18833 52 1 9 "Average Difference" CA 95 1.126 -0.135 1.124 18833 53 1 9 "Average Difference" CB 82 1.734 -0.342 1.711 18833 54 1 9 "Average Difference" HN 89 0.464 -0.161 0.438 18833 55 1 10 "Average Difference" N 89 2.870 -0.026 2.886 18833 56 1 10 "Average Difference" HA 108 0.328 -0.048 0.326 18833 57 1 10 "Average Difference" C 87 1.065 -0.004 1.071 18833 58 1 10 "Average Difference" CA 95 1.115 -0.092 1.117 18833 59 1 10 "Average Difference" CB 82 1.740 -0.346 1.716 18833 60 1 10 "Average Difference" HN 89 0.418 -0.145 0.394 18833 61 1 11 "Average Difference" N 89 2.373 0.070 2.385 18833 62 1 11 "Average Difference" HA 108 0.320 -0.023 0.321 18833 63 1 11 "Average Difference" C 87 1.086 -0.056 1.091 18833 64 1 11 "Average Difference" CA 95 1.150 -0.081 1.153 18833 65 1 11 "Average Difference" CB 82 1.729 -0.356 1.702 18833 66 1 11 "Average Difference" HN 89 0.452 -0.134 0.434 18833 67 1 12 "Average Difference" N 89 2.638 -0.054 2.652 18833 68 1 12 "Average Difference" HA 108 0.315 -0.041 0.314 18833 69 1 12 "Average Difference" C 87 1.042 -0.029 1.048 18833 70 1 12 "Average Difference" CA 95 1.135 -0.018 1.141 18833 71 1 12 "Average Difference" CB 82 1.751 -0.355 1.725 18833 72 1 12 "Average Difference" HN 89 0.464 -0.182 0.430 18833 73 1 13 "Average Difference" N 89 2.837 0.046 2.853 18833 74 1 13 "Average Difference" HA 108 0.333 -0.044 0.332 18833 75 1 13 "Average Difference" C 87 1.060 0.002 1.066 18833 76 1 13 "Average Difference" CA 95 1.101 -0.070 1.105 18833 77 1 13 "Average Difference" CB 82 1.763 -0.304 1.747 18833 78 1 13 "Average Difference" HN 89 0.488 -0.165 0.462 18833 79 1 14 "Average Difference" N 89 2.729 -0.144 2.741 18833 80 1 14 "Average Difference" HA 108 0.323 -0.050 0.321 18833 81 1 14 "Average Difference" C 87 1.087 -0.024 1.093 18833 82 1 14 "Average Difference" CA 95 1.125 -0.110 1.126 18833 83 1 14 "Average Difference" CB 82 1.719 -0.300 1.703 18833 84 1 14 "Average Difference" HN 89 0.471 -0.169 0.442 18833 85 1 15 "Average Difference" N 89 2.794 0.176 2.804 18833 86 1 15 "Average Difference" HA 108 0.323 -0.012 0.324 18833 87 1 15 "Average Difference" C 87 1.081 -0.110 1.082 18833 88 1 15 "Average Difference" CA 95 1.115 -0.129 1.113 18833 89 1 15 "Average Difference" CB 82 1.654 -0.206 1.652 18833 90 1 15 "Average Difference" HN 89 0.413 -0.124 0.397 18833 91 1 16 "Average Difference" N 89 2.561 -0.203 2.567 18833 92 1 16 "Average Difference" HA 108 0.330 -0.037 0.330 18833 93 1 16 "Average Difference" C 87 1.069 -0.075 1.073 18833 94 1 16 "Average Difference" CA 95 1.116 -0.118 1.116 18833 95 1 16 "Average Difference" CB 82 1.772 -0.370 1.743 18833 96 1 16 "Average Difference" HN 89 0.476 -0.204 0.432 18833 97 1 17 "Average Difference" N 89 2.549 0.210 2.555 18833 98 1 17 "Average Difference" HA 108 0.306 -0.028 0.306 18833 99 1 17 "Average Difference" C 87 1.065 -0.020 1.071 18833 100 1 17 "Average Difference" CA 95 1.132 -0.098 1.134 18833 101 1 17 "Average Difference" CB 82 1.696 -0.432 1.650 18833 102 1 17 "Average Difference" HN 89 0.403 -0.126 0.385 18833 103 1 18 "Average Difference" N 89 2.676 0.159 2.687 18833 104 1 18 "Average Difference" HA 108 0.325 -0.007 0.326 18833 105 1 18 "Average Difference" C 87 1.029 0.001 1.034 18833 106 1 18 "Average Difference" CA 95 1.122 -0.034 1.127 18833 107 1 18 "Average Difference" CB 82 1.758 -0.318 1.740 18833 108 1 18 "Average Difference" HN 89 0.436 -0.141 0.414 18833 109 1 19 "Average Difference" N 89 2.691 0.185 2.700 18833 110 1 19 "Average Difference" HA 108 0.338 -0.033 0.338 18833 111 1 19 "Average Difference" C 87 1.034 -0.001 1.040 18833 112 1 19 "Average Difference" CA 95 1.063 -0.064 1.067 18833 113 1 19 "Average Difference" CB 82 1.672 -0.313 1.653 18833 114 1 19 "Average Difference" HN 89 0.460 -0.142 0.440 18833 115 1 20 "Average Difference" N 89 2.594 -0.109 2.607 18833 116 1 20 "Average Difference" HA 108 0.315 -0.030 0.315 18833 117 1 20 "Average Difference" C 87 1.068 -0.020 1.074 18833 118 1 20 "Average Difference" CA 95 1.093 -0.077 1.096 18833 119 1 20 "Average Difference" CB 82 1.719 -0.359 1.691 18833 120 1 20 "Average Difference" HN 89 0.485 -0.187 0.450 18833 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 18833 _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 PRO HA H 2 4.472 4.472 4.470 0.002 18833 2 1 . 1 1 2 2 PRO C C 2 175.867 175.867 176.214 -0.347 18833 3 1 . 1 1 2 2 PRO CA C 2 62.840 62.840 62.408 0.432 18833 4 1 . 1 1 2 2 PRO CB C 2 32.313 32.313 32.293 0.020 18833 5 1 . 1 1 3 3 LYS N N 3 124.698 124.698 122.133 2.565 18833 6 1 . 1 1 3 3 LYS HA H 3 4.607 4.607 4.522 0.085 18833 7 1 . 1 1 3 3 LYS CA C 3 53.607 53.607 54.291 -0.684 18833 8 1 . 1 1 3 3 LYS CB C 3 31.587 31.587 32.204 -0.617 18833 9 1 . 1 1 3 3 LYS H H 3 8.933 8.933 8.478 0.455 18833 10 1 . 1 1 4 4 PRO HA H 4 3.941 3.941 4.264 -0.323 18833 11 1 . 1 1 4 4 PRO C C 4 177.504 177.504 177.524 -0.020 18833 12 1 . 1 1 4 4 PRO CA C 4 64.512 64.512 64.018 0.494 18833 13 1 . 1 1 4 4 PRO CB C 4 31.670 31.670 31.305 0.365 18833 14 1 . 1 1 5 5 GLY N N 5 113.652 113.652 112.664 0.988 18833 15 1 . 1 1 5 5 GLY C C 5 174.146 174.146 173.906 0.240 18833 16 1 . 1 1 5 5 GLY CA C 5 45.072 45.072 44.859 0.213 18833 17 1 . 1 1 5 5 GLY H H 5 9.014 9.014 8.372 0.643 18833 18 1 . 1 1 6 6 ASP N N 6 121.766 121.766 121.320 0.446 18833 19 1 . 1 1 6 6 ASP HA H 6 4.671 4.671 4.813 -0.142 18833 20 1 . 1 1 6 6 ASP C C 6 175.762 175.762 175.349 0.413 18833 21 1 . 1 1 6 6 ASP CA C 6 54.899 54.899 53.667 1.232 18833 22 1 . 1 1 6 6 ASP CB C 6 41.406 41.406 42.619 -1.213 18833 23 1 . 1 1 6 6 ASP H H 6 8.489 8.489 7.920 0.569 18833 24 1 . 1 1 7 7 ILE N N 7 121.794 121.794 123.498 -1.704 18833 25 1 . 1 1 7 7 ILE HA H 7 5.333 5.333 4.787 0.546 18833 26 1 . 1 1 7 7 ILE C C 7 176.854 176.854 175.899 0.955 18833 27 1 . 1 1 7 7 ILE CA C 7 59.632 59.632 60.534 -0.902 18833 28 1 . 1 1 7 7 ILE CB C 7 38.215 38.215 39.184 -0.969 18833 29 1 . 1 1 7 7 ILE H H 7 8.368 8.368 8.463 -0.095 18833 30 1 . 1 1 8 8 PHE N N 8 125.873 125.873 125.081 0.792 18833 31 1 . 1 1 8 8 PHE HA H 8 5.064 5.064 5.025 0.039 18833 32 1 . 1 1 8 8 PHE C C 8 171.167 171.167 173.410 -2.243 18833 33 1 . 1 1 8 8 PHE CA C 8 55.550 55.550 55.295 0.255 18833 34 1 . 1 1 8 8 PHE CB C 8 41.333 41.333 41.516 -0.183 18833 35 1 . 1 1 8 8 PHE H H 8 9.498 9.498 8.863 0.635 18833 36 1 . 1 1 9 9 GLU N N 9 119.065 119.065 121.163 -2.098 18833 37 1 . 1 1 9 9 GLU HA H 9 5.215 5.215 4.860 0.355 18833 38 1 . 1 1 9 9 GLU C C 9 176.019 176.019 175.852 0.167 18833 39 1 . 1 1 9 9 GLU CA C 9 53.989 53.989 55.231 -1.242 18833 40 1 . 1 1 9 9 GLU CB C 9 33.411 33.411 31.682 1.729 18833 41 1 . 1 1 9 9 GLU H H 9 8.502 8.502 8.531 -0.029 18833 42 1 . 1 1 10 10 VAL N N 10 120.078 120.078 124.041 -3.963 18833 43 1 . 1 1 10 10 VAL HA H 10 4.135 4.135 4.378 -0.243 18833 44 1 . 1 1 10 10 VAL C C 10 173.177 173.177 174.340 -1.163 18833 45 1 . 1 1 10 10 VAL CA C 10 61.113 61.113 60.868 0.245 18833 46 1 . 1 1 10 10 VAL CB C 10 36.781 36.781 35.014 1.767 18833 47 1 . 1 1 10 10 VAL H H 10 8.581 8.581 9.040 -0.459 18833 48 1 . 1 1 11 11 GLU N N 11 126.482 126.482 126.908 -0.426 18833 49 1 . 1 1 11 11 GLU HA H 11 4.999 4.999 5.121 -0.122 18833 50 1 . 1 1 11 11 GLU C C 11 174.618 174.618 175.070 -0.452 18833 51 1 . 1 1 11 11 GLU CA C 11 54.814 54.814 54.675 0.139 18833 52 1 . 1 1 11 11 GLU CB C 11 31.008 31.008 30.771 0.237 18833 53 1 . 1 1 11 11 GLU H H 11 7.810 7.810 8.580 -0.770 18833 54 1 . 1 1 12 12 LEU N N 12 126.093 126.093 126.491 -0.398 18833 55 1 . 1 1 12 12 LEU HA H 12 4.654 4.654 4.663 -0.009 18833 56 1 . 1 1 12 12 LEU C C 12 174.013 174.013 174.928 -0.915 18833 57 1 . 1 1 12 12 LEU CA C 12 53.174 53.174 53.216 -0.042 18833 58 1 . 1 1 12 12 LEU CB C 12 45.866 45.866 43.991 1.875 18833 59 1 . 1 1 12 12 LEU H H 12 8.888 8.888 8.470 0.418 18833 60 1 . 1 1 13 13 ALA N N 13 126.137 126.137 128.667 -2.531 18833 61 1 . 1 1 13 13 ALA HA H 13 5.101 5.101 4.822 0.279 18833 62 1 . 1 1 13 13 ALA C C 13 177.290 177.290 177.030 0.260 18833 63 1 . 1 1 13 13 ALA CA C 13 49.883 49.883 51.042 -1.158 18833 64 1 . 1 1 13 13 ALA CB C 13 19.409 19.409 20.520 -1.111 18833 65 1 . 1 1 13 13 ALA H H 13 8.494 8.494 8.551 -0.057 18833 66 1 . 1 1 14 14 LYS N N 14 120.270 120.270 122.899 -2.629 18833 67 1 . 1 1 14 14 LYS HA H 14 3.798 3.798 4.428 -0.630 18833 68 1 . 1 1 14 14 LYS C C 14 176.313 176.313 176.493 -0.180 18833 69 1 . 1 1 14 14 LYS CA C 14 57.798 57.798 55.212 2.586 18833 70 1 . 1 1 14 14 LYS CB C 14 33.913 33.913 31.776 2.136 18833 71 1 . 1 1 14 14 LYS H H 14 8.486 8.486 8.500 -0.014 18833 72 1 . 1 1 15 15 ASN N N 15 117.746 117.746 117.683 0.063 18833 73 1 . 1 1 15 15 ASN HA H 15 4.824 4.824 4.532 0.292 18833 74 1 . 1 1 15 15 ASN CA C 15 52.779 52.779 54.717 -1.938 18833 75 1 . 1 1 15 15 ASN CB C 15 40.122 40.122 38.381 1.741 18833 76 1 . 1 1 15 15 ASN H H 15 8.139 8.139 8.091 0.048 18833 77 1 . 1 1 16 16 ASP HA H 16 4.301 4.301 4.595 -0.294 18833 78 1 . 1 1 16 16 ASP C C 16 175.367 175.367 175.720 -0.353 18833 79 1 . 1 1 16 16 ASP CA C 16 55.452 55.452 54.979 0.473 18833 80 1 . 1 1 16 16 ASP CB C 16 39.456 39.456 41.589 -2.133 18833 81 1 . 1 1 17 17 ASN N N 17 111.793 111.793 117.115 -5.322 18833 82 1 . 1 1 17 17 ASN HA H 17 4.380 4.380 4.727 -0.347 18833 83 1 . 1 1 17 17 ASN C C 17 174.599 174.599 174.635 -0.036 18833 84 1 . 1 1 17 17 ASN CA C 17 53.793 53.793 53.393 0.400 18833 85 1 . 1 1 17 17 ASN CB C 17 38.716 38.716 39.926 -1.210 18833 86 1 . 1 1 17 17 ASN H H 17 8.698 8.698 8.413 0.285 18833 87 1 . 1 1 18 18 SER N N 18 112.321 112.321 116.900 -4.579 18833 88 1 . 1 1 18 18 SER HA H 18 4.827 4.827 4.502 0.325 18833 89 1 . 1 1 18 18 SER CA C 18 56.795 56.795 58.246 -1.451 18833 90 1 . 1 1 18 18 SER CB C 18 64.855 64.855 64.009 0.846 18833 91 1 . 1 1 18 18 SER H H 18 7.989 7.989 8.262 -0.273 18833 92 1 . 1 1 19 19 LEU N N 19 127.097 127.097 124.574 2.523 18833 93 1 . 1 1 19 19 LEU HA H 19 4.166 4.166 4.185 -0.019 18833 94 1 . 1 1 19 19 LEU C C 19 177.329 177.329 178.046 -0.717 18833 95 1 . 1 1 19 19 LEU CA C 19 56.513 56.513 56.574 -0.061 18833 96 1 . 1 1 19 19 LEU CB C 19 43.319 43.319 42.035 1.284 18833 97 1 . 1 1 19 19 LEU H H 19 9.247 9.247 8.577 0.670 18833 98 1 . 1 1 20 20 GLY N N 20 104.340 104.340 105.176 -0.836 18833 99 1 . 1 1 20 20 GLY C C 20 175.984 175.984 173.795 2.189 18833 100 1 . 1 1 20 20 GLY CA C 20 46.799 46.799 45.370 1.429 18833 101 1 . 1 1 20 20 GLY H H 20 8.664 8.664 8.438 0.226 18833 102 1 . 1 1 21 21 ILE N N 21 115.279 115.279 117.781 -2.502 18833 103 1 . 1 1 21 21 ILE HA H 21 4.996 4.996 5.081 -0.085 18833 104 1 . 1 1 21 21 ILE C C 21 175.972 175.972 175.274 0.698 18833 105 1 . 1 1 21 21 ILE CA C 21 59.781 59.781 59.409 0.372 18833 106 1 . 1 1 21 21 ILE CB C 21 42.622 42.622 41.489 1.133 18833 107 1 . 1 1 21 21 ILE H H 21 7.614 7.614 7.669 -0.055 18833 108 1 . 1 1 22 22 CYS N N 22 122.210 122.210 121.049 1.161 18833 109 1 . 1 1 22 22 CYS HA H 22 5.271 5.271 4.972 0.299 18833 110 1 . 1 1 22 22 CYS C C 22 175.904 175.904 172.873 3.031 18833 111 1 . 1 1 22 22 CYS CA C 22 51.945 51.945 57.579 -5.634 18833 112 1 . 1 1 22 22 CYS CB C 22 35.192 35.192 31.005 4.187 18833 113 1 . 1 1 22 22 CYS H H 22 8.506 8.506 8.500 0.006 18833 114 1 . 1 1 23 23 VAL N N 23 117.739 117.739 116.123 1.616 18833 115 1 . 1 1 23 23 VAL HA H 23 5.467 5.467 5.345 0.122 18833 116 1 . 1 1 23 23 VAL C C 23 173.821 173.821 174.078 -0.257 18833 117 1 . 1 1 23 23 VAL CA C 23 59.820 59.820 60.090 -0.270 18833 118 1 . 1 1 23 23 VAL CB C 23 35.755 35.755 35.555 0.200 18833 119 1 . 1 1 23 23 VAL H H 23 9.203 9.203 8.456 0.747 18833 120 1 . 1 1 24 24 THR N N 24 114.753 114.753 114.295 0.458 18833 121 1 . 1 1 24 24 THR HA H 24 4.649 4.649 4.712 -0.063 18833 122 1 . 1 1 24 24 THR C C 24 171.786 171.786 173.133 -1.347 18833 123 1 . 1 1 24 24 THR CA C 24 59.529 59.529 59.588 -0.059 18833 124 1 . 1 1 24 24 THR CB C 24 70.563 70.563 70.522 0.041 18833 125 1 . 1 1 24 24 THR H H 24 9.237 9.237 8.677 0.560 18833 126 1 . 1 1 25 25 GLY N N 25 111.927 111.927 109.805 2.122 18833 127 1 . 1 1 25 25 GLY C C 25 174.099 174.099 172.842 1.257 18833 128 1 . 1 1 25 25 GLY CA C 25 44.612 44.612 44.860 -0.248 18833 129 1 . 1 1 25 25 GLY H H 25 8.291 8.291 8.482 -0.191 18833 130 1 . 1 1 26 26 GLY N N 26 107.140 107.140 108.256 -1.116 18833 131 1 . 1 1 26 26 GLY C C 26 176.180 176.180 174.992 1.188 18833 132 1 . 1 1 26 26 GLY CA C 26 43.803 43.803 45.524 -1.721 18833 133 1 . 1 1 26 26 GLY H H 26 7.545 7.545 8.191 -0.646 18833 134 1 . 1 1 27 27 VAL N N 27 116.837 116.837 121.070 -4.233 18833 135 1 . 1 1 27 27 VAL HA H 27 4.126 4.126 3.964 0.162 18833 136 1 . 1 1 27 27 VAL C C 27 175.764 175.764 175.765 -0.001 18833 137 1 . 1 1 27 27 VAL CA C 27 63.795 63.795 62.404 1.391 18833 138 1 . 1 1 27 27 VAL CB C 27 31.983 31.983 30.565 1.418 18833 139 1 . 1 1 27 27 VAL H H 27 8.091 8.091 8.307 -0.216 18833 140 1 . 1 1 28 28 ASN N N 28 117.997 117.997 116.442 1.555 18833 141 1 . 1 1 28 28 ASN HA H 28 4.809 4.809 4.448 0.361 18833 142 1 . 1 1 28 28 ASN C C 28 174.860 174.860 174.385 0.475 18833 143 1 . 1 1 28 28 ASN CA C 28 53.455 53.455 53.789 -0.334 18833 144 1 . 1 1 28 28 ASN CB C 28 37.747 37.747 36.967 0.780 18833 145 1 . 1 1 28 28 ASN H H 28 8.795 8.795 8.228 0.567 18833 146 1 . 1 1 29 29 THR N N 29 111.381 111.381 113.693 -2.312 18833 147 1 . 1 1 29 29 THR HA H 29 4.689 4.689 4.518 0.171 18833 148 1 . 1 1 29 29 THR CA C 29 61.526 61.526 60.471 1.055 18833 149 1 . 1 1 29 29 THR CB C 29 70.889 70.889 69.832 1.057 18833 150 1 . 1 1 29 29 THR H H 29 7.858 7.858 8.107 -0.249 18833 151 1 . 1 1 30 30 SER N N 30 114.070 114.070 115.766 -1.695 18833 152 1 . 1 1 30 30 SER HA H 30 4.535 4.535 4.187 0.348 18833 153 1 . 1 1 30 30 SER C C 30 174.879 174.879 174.327 0.552 18833 154 1 . 1 1 30 30 SER CA C 30 58.380 58.380 60.101 -1.721 18833 155 1 . 1 1 30 30 SER CB C 30 63.532 63.532 63.153 0.379 18833 156 1 . 1 1 30 30 SER H H 30 8.433 8.433 8.663 -0.230 18833 157 1 . 1 1 31 31 VAL N N 31 118.337 118.337 115.762 2.575 18833 158 1 . 1 1 31 31 VAL HA H 31 4.091 4.091 4.179 -0.088 18833 159 1 . 1 1 31 31 VAL C C 31 176.528 176.528 176.304 0.224 18833 160 1 . 1 1 31 31 VAL CA C 31 62.145 62.145 61.268 0.877 18833 161 1 . 1 1 31 31 VAL CB C 31 32.500 32.500 32.667 -0.167 18833 162 1 . 1 1 31 31 VAL H H 31 7.588 7.588 7.416 0.172 18833 163 1 . 1 1 32 32 ARG N N 32 124.670 124.670 126.967 -2.297 18833 164 1 . 1 1 32 32 ARG HA H 32 4.011 4.011 4.087 -0.076 18833 165 1 . 1 1 32 32 ARG CA C 32 57.972 57.972 58.515 -0.543 18833 166 1 . 1 1 32 32 ARG CB C 32 29.575 29.575 30.139 -0.564 18833 167 1 . 1 1 32 32 ARG H H 32 8.511 8.511 8.689 -0.178 18833 168 1 . 1 1 33 33 HIS HA H 33 4.573 4.573 4.540 0.033 18833 169 1 . 1 1 33 33 HIS C C 33 175.064 175.064 175.766 -0.702 18833 170 1 . 1 1 33 33 HIS CA C 33 56.831 56.831 56.349 0.482 18833 171 1 . 1 1 33 33 HIS CB C 33 29.118 29.118 29.639 -0.521 18833 172 1 . 1 1 34 34 GLY N N 34 109.531 109.531 107.497 2.034 18833 173 1 . 1 1 34 34 GLY C C 34 174.582 174.582 174.678 -0.096 18833 174 1 . 1 1 34 34 GLY CA C 34 46.581 46.581 45.572 1.009 18833 175 1 . 1 1 34 34 GLY H H 34 8.471 8.471 7.623 0.848 18833 176 1 . 1 1 35 35 GLY N N 35 105.151 105.151 107.238 -2.087 18833 177 1 . 1 1 35 35 GLY C C 35 170.505 170.505 174.092 -3.587 18833 178 1 . 1 1 35 35 GLY CA C 35 44.577 44.577 43.928 0.649 18833 179 1 . 1 1 35 35 GLY H H 35 7.833 7.833 7.881 -0.048 18833 180 1 . 1 1 36 36 ILE N N 36 119.676 119.676 123.097 -3.421 18833 181 1 . 1 1 36 36 ILE HA H 36 4.712 4.712 4.588 0.124 18833 182 1 . 1 1 36 36 ILE C C 36 174.641 174.641 175.291 -0.650 18833 183 1 . 1 1 36 36 ILE CA C 36 57.084 57.084 59.231 -2.147 18833 184 1 . 1 1 36 36 ILE CB C 36 35.732 35.732 36.166 -0.433 18833 185 1 . 1 1 36 36 ILE H H 36 8.350 8.350 7.778 0.572 18833 186 1 . 1 1 37 37 TYR N N 37 123.307 123.307 127.220 -3.913 18833 187 1 . 1 1 37 37 TYR HA H 37 5.307 5.307 4.940 0.367 18833 188 1 . 1 1 37 37 TYR C C 37 176.165 176.165 176.122 0.043 18833 189 1 . 1 1 37 37 TYR CA C 37 55.847 55.847 57.113 -1.266 18833 190 1 . 1 1 37 37 TYR CB C 37 42.329 42.329 40.617 1.712 18833 191 1 . 1 1 37 37 TYR H H 37 8.892 8.892 8.796 0.097 18833 192 1 . 1 1 38 38 VAL N N 38 120.580 120.580 121.786 -1.206 18833 193 1 . 1 1 38 38 VAL HA H 38 3.736 3.736 4.027 -0.291 18833 194 1 . 1 1 38 38 VAL C C 38 175.983 175.983 176.176 -0.193 18833 195 1 . 1 1 38 38 VAL CA C 38 64.670 64.670 64.539 0.131 18833 196 1 . 1 1 38 38 VAL CB C 38 31.528 31.528 31.484 0.044 18833 197 1 . 1 1 38 38 VAL H H 38 9.365 9.365 9.026 0.339 18833 198 1 . 1 1 39 39 LYS N N 39 133.297 133.297 129.275 4.022 18833 199 1 . 1 1 39 39 LYS HA H 39 4.385 4.385 4.455 -0.070 18833 200 1 . 1 1 39 39 LYS C C 39 174.520 174.520 175.494 -0.974 18833 201 1 . 1 1 39 39 LYS CA C 39 56.509 56.509 56.295 0.214 18833 202 1 . 1 1 39 39 LYS CB C 39 34.634 34.634 34.804 -0.170 18833 203 1 . 1 1 39 39 LYS H H 39 9.560 9.560 8.819 0.741 18833 204 1 . 1 1 40 40 ALA N N 40 118.155 118.155 121.043 -2.888 18833 205 1 . 1 1 40 40 ALA HA H 40 4.505 4.505 4.661 -0.156 18833 206 1 . 1 1 40 40 ALA C C 40 174.639 174.639 174.970 -0.331 18833 207 1 . 1 1 40 40 ALA CA C 40 51.795 51.795 51.491 0.304 18833 208 1 . 1 1 40 40 ALA CB C 40 22.480 22.480 21.788 0.692 18833 209 1 . 1 1 40 40 ALA H H 40 7.498 7.498 7.501 -0.003 18833 210 1 . 1 1 41 41 VAL N N 41 121.634 121.634 120.904 0.730 18833 211 1 . 1 1 41 41 VAL HA H 41 4.409 4.409 4.715 -0.306 18833 212 1 . 1 1 41 41 VAL C C 41 175.829 175.829 175.485 0.344 18833 213 1 . 1 1 41 41 VAL CA C 41 61.304 61.304 60.643 0.661 18833 214 1 . 1 1 41 41 VAL CB C 41 32.195 32.195 34.851 -2.656 18833 215 1 . 1 1 41 41 VAL H H 41 8.634 8.634 8.315 0.319 18833 216 1 . 1 1 42 42 ILE N N 42 128.094 128.094 127.903 0.191 18833 217 1 . 1 1 42 42 ILE HA H 42 4.146 4.146 4.323 -0.177 18833 218 1 . 1 1 42 42 ILE CA C 42 58.646 58.646 58.792 -0.146 18833 219 1 . 1 1 42 42 ILE CB C 42 38.005 38.005 38.161 -0.156 18833 220 1 . 1 1 42 42 ILE H H 42 7.944 7.944 8.671 -0.727 18833 221 1 . 1 1 43 43 PRO HA H 43 4.451 4.451 4.493 -0.042 18833 222 1 . 1 1 43 43 PRO C C 43 177.234 177.234 176.530 0.704 18833 223 1 . 1 1 43 43 PRO CA C 43 64.197 64.197 63.482 0.715 18833 224 1 . 1 1 43 43 PRO CB C 43 31.845 31.845 31.223 0.622 18833 225 1 . 1 1 44 44 GLN N N 44 116.825 116.825 116.787 0.038 18833 226 1 . 1 1 44 44 GLN HA H 44 3.849 3.849 3.924 -0.075 18833 227 1 . 1 1 44 44 GLN C C 44 175.752 175.752 175.489 0.263 18833 228 1 . 1 1 44 44 GLN CA C 44 58.132 58.132 56.748 1.384 18833 229 1 . 1 1 44 44 GLN CB C 44 26.474 26.474 26.699 -0.225 18833 230 1 . 1 1 44 44 GLN H H 44 9.345 9.345 9.133 0.212 18833 231 1 . 1 1 45 45 GLY N N 45 106.186 106.186 105.061 1.125 18833 232 1 . 1 1 45 45 GLY C C 45 174.374 174.374 174.100 0.274 18833 233 1 . 1 1 45 45 GLY CA C 45 44.724 44.724 44.213 0.511 18833 234 1 . 1 1 45 45 GLY H H 45 7.887 7.887 7.891 -0.004 18833 235 1 . 1 1 46 46 ALA N N 46 120.843 120.843 123.260 -2.417 18833 236 1 . 1 1 46 46 ALA HA H 46 4.059 4.059 4.035 0.024 18833 237 1 . 1 1 46 46 ALA C C 46 180.628 180.628 179.315 1.313 18833 238 1 . 1 1 46 46 ALA CA C 46 55.035 55.035 55.282 -0.247 18833 239 1 . 1 1 46 46 ALA CB C 46 18.622 18.622 18.793 -0.171 18833 240 1 . 1 1 46 46 ALA H H 46 8.907 8.907 8.313 0.594 18833 241 1 . 1 1 47 47 ALA N N 47 118.721 118.721 120.902 -2.181 18833 242 1 . 1 1 47 47 ALA HA H 47 4.071 4.071 3.933 0.138 18833 243 1 . 1 1 47 47 ALA C C 47 180.589 180.589 179.356 1.233 18833 244 1 . 1 1 47 47 ALA CA C 47 54.846 54.846 55.258 -0.412 18833 245 1 . 1 1 47 47 ALA CB C 47 18.769 18.769 17.918 0.851 18833 246 1 . 1 1 47 47 ALA H H 47 7.856 7.856 8.061 -0.205 18833 247 1 . 1 1 48 48 GLU N N 48 124.373 124.373 119.048 5.325 18833 248 1 . 1 1 48 48 GLU HA H 48 3.809 3.809 3.978 -0.169 18833 249 1 . 1 1 48 48 GLU C C 48 178.120 178.120 178.913 -0.793 18833 250 1 . 1 1 48 48 GLU CA C 48 59.857 59.857 58.864 0.993 18833 251 1 . 1 1 48 48 GLU CB C 48 29.619 29.619 29.451 0.168 18833 252 1 . 1 1 48 48 GLU H H 48 9.195 9.195 8.479 0.716 18833 253 1 . 1 1 49 49 SER N N 49 113.220 113.220 114.267 -1.047 18833 254 1 . 1 1 49 49 SER HA H 49 4.099 4.099 4.196 -0.097 18833 255 1 . 1 1 49 49 SER C C 49 175.707 175.707 176.458 -0.751 18833 256 1 . 1 1 49 49 SER CA C 49 61.168 61.168 60.869 0.298 18833 257 1 . 1 1 49 49 SER CB C 49 62.775 62.775 63.255 -0.480 18833 258 1 . 1 1 49 49 SER H H 49 8.020 8.020 8.134 -0.114 18833 259 1 . 1 1 50 50 ASP N N 50 120.022 120.022 119.843 0.179 18833 260 1 . 1 1 50 50 ASP HA H 50 4.380 4.380 4.481 -0.101 18833 261 1 . 1 1 50 50 ASP C C 50 177.650 177.650 177.515 0.135 18833 262 1 . 1 1 50 50 ASP CA C 50 57.197 57.197 55.563 1.634 18833 263 1 . 1 1 50 50 ASP CB C 50 44.235 44.235 41.583 2.651 18833 264 1 . 1 1 50 50 ASP H H 50 7.579 7.579 7.864 -0.285 18833 265 1 . 1 1 51 51 GLY N N 51 102.979 102.979 106.902 -3.923 18833 266 1 . 1 1 51 51 GLY C C 51 175.026 175.026 175.143 -0.117 18833 267 1 . 1 1 51 51 GLY CA C 51 46.346 46.346 45.820 0.526 18833 268 1 . 1 1 51 51 GLY H H 51 7.364 7.364 8.330 -0.966 18833 269 1 . 1 1 52 52 ARG N N 52 117.501 117.501 120.089 -2.588 18833 270 1 . 1 1 52 52 ARG HA H 52 4.308 4.308 4.195 0.113 18833 271 1 . 1 1 52 52 ARG C C 52 175.898 175.898 176.281 -0.383 18833 272 1 . 1 1 52 52 ARG CA C 52 57.904 57.904 57.645 0.259 18833 273 1 . 1 1 52 52 ARG CB C 52 32.999 32.999 30.853 2.146 18833 274 1 . 1 1 52 52 ARG H H 52 7.958 7.958 7.905 0.053 18833 275 1 . 1 1 53 53 ILE N N 53 120.028 120.028 118.156 1.872 18833 276 1 . 1 1 53 53 ILE HA H 53 4.232 4.232 4.313 -0.081 18833 277 1 . 1 1 53 53 ILE C C 53 173.773 173.773 174.623 -0.850 18833 278 1 . 1 1 53 53 ILE CA C 53 61.429 61.429 60.780 0.649 18833 279 1 . 1 1 53 53 ILE CB C 53 39.699 39.699 39.081 0.618 18833 280 1 . 1 1 53 53 ILE H H 53 8.223 8.223 7.608 0.615 18833 281 1 . 1 1 54 54 HIS N N 54 123.681 123.681 123.585 0.096 18833 282 1 . 1 1 54 54 HIS HA H 54 4.801 4.801 4.946 -0.145 18833 283 1 . 1 1 54 54 HIS C C 54 173.826 173.826 174.248 -0.422 18833 284 1 . 1 1 54 54 HIS CA C 54 54.885 54.885 54.353 0.532 18833 285 1 . 1 1 54 54 HIS CB C 54 33.499 33.499 33.136 0.363 18833 286 1 . 1 1 54 54 HIS H H 54 9.073 9.073 9.159 -0.086 18833 287 1 . 1 1 55 55 LYS N N 55 120.814 120.814 120.743 0.071 18833 288 1 . 1 1 55 55 LYS HA H 55 3.610 3.610 4.012 -0.402 18833 289 1 . 1 1 55 55 LYS C C 55 177.014 177.014 177.318 -0.304 18833 290 1 . 1 1 55 55 LYS CA C 55 58.433 58.433 57.690 0.743 18833 291 1 . 1 1 55 55 LYS CB C 55 32.360 32.360 32.301 0.059 18833 292 1 . 1 1 55 55 LYS H H 55 8.715 8.715 8.672 0.043 18833 293 1 . 1 1 56 56 GLY N N 56 114.423 114.423 114.121 0.302 18833 294 1 . 1 1 56 56 GLY C C 56 174.469 174.469 174.182 0.287 18833 295 1 . 1 1 56 56 GLY CA C 56 44.838 44.838 45.094 -0.256 18833 296 1 . 1 1 56 56 GLY H H 56 9.128 9.128 8.712 0.416 18833 297 1 . 1 1 57 57 ASP N N 57 121.735 121.735 122.654 -0.919 18833 298 1 . 1 1 57 57 ASP HA H 57 4.883 4.883 4.830 0.053 18833 299 1 . 1 1 57 57 ASP C C 57 174.808 174.808 174.747 0.061 18833 300 1 . 1 1 57 57 ASP CA C 57 55.827 55.827 55.028 0.799 18833 301 1 . 1 1 57 57 ASP CB C 57 41.055 41.055 42.150 -1.094 18833 302 1 . 1 1 57 57 ASP H H 57 8.033 8.033 7.692 0.341 18833 303 1 . 1 1 58 58 ARG N N 58 123.530 123.530 120.922 2.608 18833 304 1 . 1 1 58 58 ARG HA H 58 4.638 4.638 4.666 -0.028 18833 305 1 . 1 1 58 58 ARG C C 58 175.641 175.641 174.625 1.016 18833 306 1 . 1 1 58 58 ARG CA C 58 54.700 54.700 54.455 0.245 18833 307 1 . 1 1 58 58 ARG CB C 58 33.631 33.631 31.931 1.700 18833 308 1 . 1 1 58 58 ARG H H 58 9.097 9.097 8.421 0.676 18833 309 1 . 1 1 59 59 VAL N N 59 126.202 126.202 123.718 2.484 18833 310 1 . 1 1 59 59 VAL HA H 59 3.905 3.905 4.400 -0.495 18833 311 1 . 1 1 59 59 VAL C C 59 174.515 174.515 175.324 -0.809 18833 312 1 . 1 1 59 59 VAL CA C 59 62.152 62.152 61.765 0.387 18833 313 1 . 1 1 59 59 VAL CB C 59 31.074 31.074 32.846 -1.772 18833 314 1 . 1 1 59 59 VAL H H 59 8.898 8.898 8.777 0.121 18833 315 1 . 1 1 60 60 LEU N N 60 127.209 127.209 121.430 5.779 18833 316 1 . 1 1 60 60 LEU HA H 60 4.320 4.320 4.828 -0.508 18833 317 1 . 1 1 60 60 LEU C C 60 178.352 178.352 176.190 2.162 18833 318 1 . 1 1 60 60 LEU CA C 60 56.161 56.161 54.971 1.190 18833 319 1 . 1 1 60 60 LEU CB C 60 42.625 42.625 43.270 -0.645 18833 320 1 . 1 1 60 60 LEU H H 60 9.193 9.193 8.706 0.487 18833 321 1 . 1 1 61 61 ALA N N 61 118.965 118.965 120.039 -1.074 18833 322 1 . 1 1 61 61 ALA HA H 61 4.939 4.939 5.309 -0.370 18833 323 1 . 1 1 61 61 ALA C C 61 175.332 175.332 175.371 -0.039 18833 324 1 . 1 1 61 61 ALA CA C 61 52.292 52.292 50.285 2.007 18833 325 1 . 1 1 61 61 ALA CB C 61 22.086 22.086 22.789 -0.703 18833 326 1 . 1 1 61 61 ALA H H 61 7.759 7.759 7.453 0.306 18833 327 1 . 1 1 62 62 VAL N N 62 119.695 119.695 119.202 0.493 18833 328 1 . 1 1 62 62 VAL HA H 62 4.484 4.484 4.600 -0.116 18833 329 1 . 1 1 62 62 VAL C C 62 175.538 175.538 175.975 -0.437 18833 330 1 . 1 1 62 62 VAL CA C 62 60.537 60.537 61.336 -0.799 18833 331 1 . 1 1 62 62 VAL CB C 62 33.961 33.961 34.090 -0.129 18833 332 1 . 1 1 62 62 VAL H H 62 8.218 8.218 8.240 -0.021 18833 333 1 . 1 1 63 63 ASN N N 63 128.940 128.940 127.846 1.094 18833 334 1 . 1 1 63 63 ASN HA H 63 4.571 4.571 4.406 0.165 18833 335 1 . 1 1 63 63 ASN C C 63 175.155 175.155 175.522 -0.367 18833 336 1 . 1 1 63 63 ASN CA C 63 54.459 54.459 54.349 0.110 18833 337 1 . 1 1 63 63 ASN CB C 63 36.919 36.919 38.026 -1.107 18833 338 1 . 1 1 63 63 ASN H H 63 10.387 10.387 9.431 0.956 18833 339 1 . 1 1 64 64 GLY N N 64 103.432 103.432 102.182 1.250 18833 340 1 . 1 1 64 64 GLY C C 64 173.902 173.902 174.032 -0.130 18833 341 1 . 1 1 64 64 GLY CA C 64 45.197 45.197 45.083 0.114 18833 342 1 . 1 1 64 64 GLY H H 64 9.094 9.094 8.588 0.506 18833 343 1 . 1 1 65 65 VAL N N 65 123.418 123.418 121.835 1.583 18833 344 1 . 1 1 65 65 VAL HA H 65 3.976 3.976 4.197 -0.221 18833 345 1 . 1 1 65 65 VAL C C 65 175.675 175.675 175.491 0.184 18833 346 1 . 1 1 65 65 VAL CA C 65 62.062 62.062 61.104 0.958 18833 347 1 . 1 1 65 65 VAL CB C 65 31.829 31.829 32.835 -1.006 18833 348 1 . 1 1 65 65 VAL H H 65 7.948 7.948 7.720 0.228 18833 349 1 . 1 1 66 66 SER N N 66 121.122 121.122 124.353 -3.231 18833 350 1 . 1 1 66 66 SER HA H 66 4.365 4.365 4.414 -0.049 18833 351 1 . 1 1 66 66 SER C C 66 176.402 176.402 174.299 2.103 18833 352 1 . 1 1 66 66 SER CA C 66 58.310 58.310 59.005 -0.695 18833 353 1 . 1 1 66 66 SER CB C 66 63.651 63.651 63.180 0.471 18833 354 1 . 1 1 66 66 SER H H 66 8.671 8.671 8.777 -0.106 18833 355 1 . 1 1 67 67 LEU N N 67 125.351 125.351 124.441 0.910 18833 356 1 . 1 1 67 67 LEU HA H 67 4.440 4.440 4.350 0.090 18833 357 1 . 1 1 67 67 LEU C C 67 176.359 176.359 176.816 -0.457 18833 358 1 . 1 1 67 67 LEU CA C 67 53.867 53.867 54.725 -0.858 18833 359 1 . 1 1 67 67 LEU CB C 67 40.981 40.981 41.563 -0.582 18833 360 1 . 1 1 67 67 LEU H H 67 8.205 8.205 8.251 -0.046 18833 361 1 . 1 1 68 68 GLU N N 68 123.211 123.211 119.207 4.004 18833 362 1 . 1 1 68 68 GLU HA H 68 4.046 4.046 4.106 -0.060 18833 363 1 . 1 1 68 68 GLU C C 68 177.820 177.820 177.588 0.232 18833 364 1 . 1 1 68 68 GLU CA C 68 58.535 58.535 57.524 1.011 18833 365 1 . 1 1 68 68 GLU CB C 68 29.080 29.080 29.535 -0.455 18833 366 1 . 1 1 68 68 GLU H H 68 8.300 8.300 7.835 0.465 18833 367 1 . 1 1 69 69 GLY N N 69 115.507 115.507 112.103 3.404 18833 368 1 . 1 1 69 69 GLY C C 69 173.652 173.652 174.309 -0.657 18833 369 1 . 1 1 69 69 GLY CA C 69 45.347 45.347 44.964 0.383 18833 370 1 . 1 1 69 69 GLY H H 69 8.945 8.945 8.983 -0.038 18833 371 1 . 1 1 70 70 ALA N N 70 122.308 122.308 124.546 -2.238 18833 372 1 . 1 1 70 70 ALA HA H 70 4.490 4.490 4.392 0.098 18833 373 1 . 1 1 70 70 ALA C C 70 179.583 179.583 176.586 2.997 18833 374 1 . 1 1 70 70 ALA CA C 70 52.484 52.484 52.051 0.433 18833 375 1 . 1 1 70 70 ALA CB C 70 19.588 19.588 19.799 -0.211 18833 376 1 . 1 1 70 70 ALA H H 70 7.882 7.882 7.525 0.357 18833 377 1 . 1 1 71 71 THR N N 71 111.173 111.173 111.306 -0.133 18833 378 1 . 1 1 71 71 THR HA H 71 4.526 4.526 4.413 0.113 18833 379 1 . 1 1 71 71 THR C C 71 174.660 174.660 175.931 -1.271 18833 380 1 . 1 1 71 71 THR CA C 71 60.732 60.732 60.807 -0.075 18833 381 1 . 1 1 71 71 THR CB C 71 71.196 71.196 70.645 0.551 18833 382 1 . 1 1 71 71 THR H H 71 8.185 8.185 8.097 0.088 18833 383 1 . 1 1 72 72 HIS N N 72 121.107 121.107 119.907 1.200 18833 384 1 . 1 1 72 72 HIS HA H 72 4.001 4.001 4.332 -0.331 18833 385 1 . 1 1 72 72 HIS C C 72 176.702 176.702 177.310 -0.608 18833 386 1 . 1 1 72 72 HIS CA C 72 61.452 61.452 59.481 1.971 18833 387 1 . 1 1 72 72 HIS CB C 72 30.309 30.309 29.199 1.110 18833 388 1 . 1 1 72 72 HIS H H 72 9.077 9.077 8.849 0.228 18833 389 1 . 1 1 73 73 LYS N N 73 116.672 116.672 118.461 -1.789 18833 390 1 . 1 1 73 73 LYS HA H 73 3.756 3.756 3.803 -0.047 18833 391 1 . 1 1 73 73 LYS C C 73 178.603 178.603 178.798 -0.195 18833 392 1 . 1 1 73 73 LYS CA C 73 60.022 60.022 59.587 0.435 18833 393 1 . 1 1 73 73 LYS CB C 73 32.460 32.460 31.518 0.942 18833 394 1 . 1 1 73 73 LYS H H 73 8.473 8.473 7.763 0.710 18833 395 1 . 1 1 74 74 GLN N N 74 116.558 116.558 119.123 -2.565 18833 396 1 . 1 1 74 74 GLN HA H 74 3.932 3.932 4.059 -0.127 18833 397 1 . 1 1 74 74 GLN C C 74 179.891 179.891 178.422 1.469 18833 398 1 . 1 1 74 74 GLN CA C 74 58.571 58.571 58.498 0.073 18833 399 1 . 1 1 74 74 GLN CB C 74 28.325 28.325 28.233 0.092 18833 400 1 . 1 1 74 74 GLN H H 74 7.568 7.568 7.582 -0.014 18833 401 1 . 1 1 75 75 ALA N N 75 123.337 123.337 122.348 0.989 18833 402 1 . 1 1 75 75 ALA HA H 75 3.794 3.794 4.059 -0.265 18833 403 1 . 1 1 75 75 ALA C C 75 178.309 178.309 179.268 -0.959 18833 404 1 . 1 1 75 75 ALA CA C 75 55.668 55.668 55.199 0.469 18833 405 1 . 1 1 75 75 ALA CB C 75 19.368 19.368 18.273 1.095 18833 406 1 . 1 1 75 75 ALA H H 75 8.320 8.320 7.960 0.360 18833 407 1 . 1 1 76 76 VAL N N 76 118.172 118.172 118.674 -0.502 18833 408 1 . 1 1 76 76 VAL HA H 76 3.187 3.187 3.705 -0.518 18833 409 1 . 1 1 76 76 VAL C C 76 179.705 179.705 177.483 2.222 18833 410 1 . 1 1 76 76 VAL CA C 76 67.152 67.152 66.488 0.664 18833 411 1 . 1 1 76 76 VAL CB C 76 31.175 31.175 31.577 -0.402 18833 412 1 . 1 1 76 76 VAL H H 76 8.122 8.122 7.517 0.605 18833 413 1 . 1 1 77 77 CYS N N 77 116.979 116.979 118.132 -1.153 18833 414 1 . 1 1 77 77 CYS HA H 77 4.201 4.201 4.059 0.142 18833 415 1 . 1 1 77 77 CYS C C 77 177.004 177.004 177.525 -0.521 18833 416 1 . 1 1 77 77 CYS CA C 77 61.892 61.892 63.034 -1.142 18833 417 1 . 1 1 77 77 CYS CB C 77 36.543 36.543 25.409 11.134 18833 418 1 . 1 1 77 77 CYS H H 77 8.327 8.327 8.406 -0.079 18833 419 1 . 1 1 78 78 THR N N 78 117.521 117.521 116.792 0.729 18833 420 1 . 1 1 78 78 THR HA H 78 3.867 3.867 3.974 -0.107 18833 421 1 . 1 1 78 78 THR C C 78 176.306 176.306 176.575 -0.269 18833 422 1 . 1 1 78 78 THR CA C 78 67.197 67.197 66.582 0.615 18833 423 1 . 1 1 78 78 THR CB C 78 68.145 68.145 68.621 -0.476 18833 424 1 . 1 1 78 78 THR H H 78 8.259 8.259 7.990 0.269 18833 425 1 . 1 1 79 79 LEU N N 79 119.714 119.714 121.989 -2.275 18833 426 1 . 1 1 79 79 LEU HA H 79 3.836 3.836 3.964 -0.128 18833 427 1 . 1 1 79 79 LEU CA C 79 57.950 57.950 57.921 0.029 18833 428 1 . 1 1 79 79 LEU CB C 79 41.628 41.628 41.355 0.273 18833 429 1 . 1 1 79 79 LEU H H 79 7.748 7.748 7.499 0.249 18833 430 1 . 1 1 80 80 ARG N N 80 119.613 119.613 116.690 2.923 18833 431 1 . 1 1 80 80 ARG HA H 80 4.115 4.115 3.986 0.129 18833 432 1 . 1 1 80 80 ARG C C 80 177.905 177.905 177.774 0.131 18833 433 1 . 1 1 80 80 ARG CA C 80 58.462 58.462 59.011 -0.549 18833 434 1 . 1 1 80 80 ARG CB C 80 30.770 30.770 29.889 0.881 18833 435 1 . 1 1 80 80 ARG H H 80 7.944 7.944 7.895 0.049 18833 436 1 . 1 1 81 81 ASN N N 81 119.257 119.257 115.251 4.006 18833 437 1 . 1 1 81 81 ASN HA H 81 4.961 4.961 4.801 0.160 18833 438 1 . 1 1 81 81 ASN C C 81 175.030 175.030 175.333 -0.303 18833 439 1 . 1 1 81 81 ASN CA C 81 52.806 52.806 53.238 -0.432 18833 440 1 . 1 1 81 81 ASN CB C 81 37.454 37.454 39.637 -2.183 18833 441 1 . 1 1 81 81 ASN H H 81 7.843 7.843 7.830 0.013 18833 442 1 . 1 1 82 82 THR N N 82 109.817 109.817 113.523 -3.706 18833 443 1 . 1 1 82 82 THR HA H 82 4.391 4.391 4.500 -0.109 18833 444 1 . 1 1 82 82 THR C C 82 175.114 175.114 175.080 0.034 18833 445 1 . 1 1 82 82 THR CA C 82 60.155 60.155 61.643 -1.488 18833 446 1 . 1 1 82 82 THR CB C 82 72.327 72.327 70.533 1.795 18833 447 1 . 1 1 82 82 THR H H 82 7.514 7.514 7.601 -0.087 18833 448 1 . 1 1 83 83 GLY N N 83 109.536 109.536 107.171 2.365 18833 449 1 . 1 1 83 83 GLY C C 83 173.492 173.492 174.685 -1.193 18833 450 1 . 1 1 83 83 GLY CA C 83 44.126 44.126 44.413 -0.287 18833 451 1 . 1 1 83 83 GLY H H 83 8.406 8.406 8.469 -0.063 18833 452 1 . 1 1 84 84 GLN N N 84 117.293 117.293 118.191 -0.898 18833 453 1 . 1 1 84 84 GLN HA H 84 3.968 3.968 4.213 -0.245 18833 454 1 . 1 1 84 84 GLN C C 84 175.351 175.351 175.335 0.016 18833 455 1 . 1 1 84 84 GLN CA C 84 58.512 58.512 57.863 0.649 18833 456 1 . 1 1 84 84 GLN CB C 84 29.023 29.023 29.178 -0.155 18833 457 1 . 1 1 84 84 GLN H H 84 8.218 8.218 8.498 -0.280 18833 458 1 . 1 1 85 85 VAL N N 85 116.238 116.238 118.158 -1.920 18833 459 1 . 1 1 85 85 VAL HA H 85 4.692 4.692 4.597 0.095 18833 460 1 . 1 1 85 85 VAL C C 85 175.864 175.864 175.242 0.622 18833 461 1 . 1 1 85 85 VAL CA C 85 61.342 61.342 61.131 0.211 18833 462 1 . 1 1 85 85 VAL CB C 85 33.374 33.374 33.444 -0.070 18833 463 1 . 1 1 85 85 VAL H H 85 7.715 7.715 7.643 0.072 18833 464 1 . 1 1 86 86 VAL N N 86 128.273 128.273 126.139 2.134 18833 465 1 . 1 1 86 86 VAL HA H 86 4.524 4.524 4.385 0.139 18833 466 1 . 1 1 86 86 VAL C C 86 173.320 173.320 174.396 -1.076 18833 467 1 . 1 1 86 86 VAL CA C 86 60.786 60.786 60.487 0.299 18833 468 1 . 1 1 86 86 VAL CB C 86 35.105 35.105 35.555 -0.450 18833 469 1 . 1 1 86 86 VAL H H 86 9.034 9.034 8.512 0.522 18833 470 1 . 1 1 87 87 HIS N N 87 126.224 126.224 124.927 1.297 18833 471 1 . 1 1 87 87 HIS HA H 87 5.037 5.037 4.887 0.150 18833 472 1 . 1 1 87 87 HIS C C 87 174.442 174.442 174.390 0.052 18833 473 1 . 1 1 87 87 HIS CA C 87 55.758 55.758 55.435 0.323 18833 474 1 . 1 1 87 87 HIS CB C 87 31.501 31.501 29.997 1.504 18833 475 1 . 1 1 87 87 HIS H H 87 8.761 8.761 8.830 -0.069 18833 476 1 . 1 1 88 88 LEU N N 88 126.604 126.604 125.833 0.771 18833 477 1 . 1 1 88 88 LEU HA H 88 4.969 4.969 4.768 0.201 18833 478 1 . 1 1 88 88 LEU C C 88 173.306 173.306 174.560 -1.254 18833 479 1 . 1 1 88 88 LEU CA C 88 53.649 53.649 53.600 0.049 18833 480 1 . 1 1 88 88 LEU CB C 88 45.288 45.288 45.009 0.279 18833 481 1 . 1 1 88 88 LEU H H 88 9.045 9.045 9.214 -0.168 18833 482 1 . 1 1 89 89 LEU N N 89 124.501 124.501 124.309 0.192 18833 483 1 . 1 1 89 89 LEU HA H 89 4.721 4.721 4.842 -0.121 18833 484 1 . 1 1 89 89 LEU C C 89 175.180 175.180 174.489 0.691 18833 485 1 . 1 1 89 89 LEU CA C 89 53.738 53.738 53.454 0.283 18833 486 1 . 1 1 89 89 LEU CB C 89 45.366 45.366 44.528 0.838 18833 487 1 . 1 1 89 89 LEU H H 89 7.977 7.977 8.548 -0.571 18833 488 1 . 1 1 90 90 LEU N N 90 127.520 127.520 125.566 1.954 18833 489 1 . 1 1 90 90 LEU HA H 90 5.289 5.289 4.882 0.407 18833 490 1 . 1 1 90 90 LEU C C 90 173.616 173.616 174.501 -0.885 18833 491 1 . 1 1 90 90 LEU CA C 90 54.155 54.155 53.659 0.496 18833 492 1 . 1 1 90 90 LEU CB C 90 46.020 46.020 46.328 -0.308 18833 493 1 . 1 1 90 90 LEU H H 90 8.896 8.896 8.677 0.219 18833 494 1 . 1 1 91 91 GLU N N 91 118.964 118.964 120.374 -1.410 18833 495 1 . 1 1 91 91 GLU HA H 91 5.086 5.086 5.058 0.028 18833 496 1 . 1 1 91 91 GLU C C 91 176.652 176.652 175.713 0.939 18833 497 1 . 1 1 91 91 GLU CA C 91 53.818 53.818 54.330 -0.512 18833 498 1 . 1 1 91 91 GLU CB C 91 33.906 33.906 33.396 0.510 18833 499 1 . 1 1 91 91 GLU H H 91 8.825 8.825 8.482 0.343 18833 500 1 . 1 1 92 92 LYS N N 92 128.805 128.805 125.629 3.176 18833 501 1 . 1 1 92 92 LYS HA H 92 4.369 4.369 4.531 -0.162 18833 502 1 . 1 1 92 92 LYS C C 92 178.011 178.011 176.634 1.377 18833 503 1 . 1 1 92 92 LYS CA C 92 56.340 56.340 56.731 -0.391 18833 504 1 . 1 1 92 92 LYS CB C 92 32.069 32.069 33.255 -1.186 18833 505 1 . 1 1 92 92 LYS H H 92 9.333 9.333 8.953 0.380 18833 506 1 . 1 1 93 93 GLY N N 93 117.774 117.774 109.054 8.720 18833 507 1 . 1 1 93 93 GLY C C 93 173.157 173.157 173.135 0.022 18833 508 1 . 1 1 93 93 GLY CA C 93 45.175 45.175 44.563 0.612 18833 509 1 . 1 1 93 93 GLY H H 93 9.735 9.735 8.557 1.178 18833 510 1 . 1 1 94 94 GLN N N 94 116.912 116.912 118.531 -1.619 18833 511 1 . 1 1 94 94 GLN HA H 94 4.264 4.264 4.607 -0.343 18833 512 1 . 1 1 94 94 GLN C C 94 175.955 175.955 175.574 0.381 18833 513 1 . 1 1 94 94 GLN CA C 94 55.501 55.501 55.054 0.447 18833 514 1 . 1 1 94 94 GLN CB C 94 29.718 29.718 30.000 -0.282 18833 515 1 . 1 1 94 94 GLN H H 94 8.243 8.243 8.141 0.102 18833 516 1 . 1 1 95 95 SER N N 95 118.157 118.157 118.473 -0.316 18833 517 1 . 1 1 95 95 SER HA H 95 4.662 4.662 4.770 -0.108 18833 518 1 . 1 1 95 95 SER CA C 95 56.615 56.615 56.555 0.060 18833 519 1 . 1 1 95 95 SER CB C 95 63.203 63.203 63.179 0.024 18833 520 1 . 1 1 95 95 SER H H 95 8.396 8.396 8.451 -0.055 18833 521 1 . 1 1 96 96 PRO HA H 96 4.477 4.477 4.492 -0.015 18833 522 1 . 1 1 96 96 PRO C C 96 176.303 176.303 176.208 0.095 18833 523 1 . 1 1 96 96 PRO CA C 96 63.514 63.514 63.069 0.445 18833 524 1 . 1 1 96 96 PRO CB C 96 31.929 31.929 31.702 0.227 18833 stop_ save_