data_19606 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19606 _Entry.PDB_ID 2MGW 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 19606 _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 4.729 4.729 4.687 0.042 19606 2 1 1 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.244 0.907 19606 3 1 1 . 1 1 2 2 PRO CB C 2 32.357 32.357 33.013 -0.656 19606 4 1 1 . 1 1 3 3 LEU N N 3 122.408 122.408 120.486 1.922 19606 5 1 1 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.338 0.018 19606 6 1 1 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.969 -0.537 19606 7 1 1 . 1 1 3 3 LEU CB C 3 42.314 42.314 41.656 0.658 19606 8 1 1 . 1 1 3 3 LEU H H 3 8.542 8.542 8.235 0.307 19606 9 1 1 . 1 1 4 4 GLY N N 4 109.946 109.946 106.079 3.867 19606 10 1 1 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.704 0.590 19606 11 1 1 . 1 1 4 4 GLY H H 4 8.406 8.406 7.664 0.742 19606 12 1 1 . 1 1 5 5 SER N N 5 115.532 115.532 116.786 -1.254 19606 13 1 1 . 1 1 5 5 SER HA H 5 4.501 4.501 4.512 -0.011 19606 14 1 1 . 1 1 5 5 SER CA C 5 58.036 58.036 57.586 0.450 19606 15 1 1 . 1 1 5 5 SER CB C 5 64.169 64.169 64.063 0.106 19606 16 1 1 . 1 1 5 5 SER H H 5 8.216 8.216 8.171 0.045 19606 17 1 1 . 1 1 6 6 SER N N 6 117.955 117.955 117.367 0.588 19606 18 1 1 . 1 1 6 6 SER HA H 6 4.420 4.420 4.652 -0.232 19606 19 1 1 . 1 1 6 6 SER CA C 6 58.902 58.902 57.868 1.034 19606 20 1 1 . 1 1 6 6 SER CB C 6 63.798 63.798 63.691 0.107 19606 21 1 1 . 1 1 6 6 SER H H 6 8.460 8.460 8.464 -0.004 19606 22 1 1 . 1 1 7 7 GLU N N 7 122.747 122.747 127.430 -4.683 19606 23 1 1 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.016 0.009 19606 24 1 1 . 1 1 7 7 GLU CA C 7 58.068 58.068 59.327 -1.259 19606 25 1 1 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.812 -0.059 19606 26 1 1 . 1 1 7 7 GLU H H 7 8.550 8.550 9.173 -0.623 19606 27 1 1 . 1 1 8 8 ASP N N 8 120.868 120.868 118.449 2.419 19606 28 1 1 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.407 0.088 19606 29 1 1 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.314 -0.724 19606 30 1 1 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.574 0.088 19606 31 1 1 . 1 1 8 8 ASP H H 8 8.293 8.293 8.407 -0.114 19606 32 1 1 . 1 1 9 9 GLN N N 9 121.706 121.706 118.608 3.098 19606 33 1 1 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.047 0.288 19606 34 1 1 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.764 -1.271 19606 35 1 1 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.338 0.401 19606 36 1 1 . 1 1 9 9 GLN H H 9 8.290 8.290 7.912 0.378 19606 37 1 1 . 1 1 10 10 THR N N 10 115.700 115.700 116.279 -0.579 19606 38 1 1 . 1 1 10 10 THR HA H 10 3.802 3.802 3.759 0.043 19606 39 1 1 . 1 1 10 10 THR CA C 10 67.728 67.728 66.245 1.483 19606 40 1 1 . 1 1 10 10 THR CB C 10 68.615 68.615 68.390 0.225 19606 41 1 1 . 1 1 10 10 THR H H 10 8.193 8.193 7.646 0.547 19606 42 1 1 . 1 1 11 11 ALA N N 11 123.074 123.074 121.992 1.082 19606 43 1 1 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.040 -0.011 19606 44 1 1 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.814 0.871 19606 45 1 1 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.136 -0.171 19606 46 1 1 . 1 1 11 11 ALA H H 11 8.242 8.242 7.613 0.629 19606 47 1 1 . 1 1 12 12 ALA N N 12 121.630 121.630 121.086 0.544 19606 48 1 1 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.072 0.102 19606 49 1 1 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.363 0.599 19606 50 1 1 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.372 -0.163 19606 51 1 1 . 1 1 12 12 ALA H H 12 7.994 7.994 7.484 0.510 19606 52 1 1 . 1 1 13 13 LEU N N 13 118.959 118.959 118.624 0.335 19606 53 1 1 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.341 0.839 19606 54 1 1 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.020 1.064 19606 55 1 1 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.364 0.774 19606 56 1 1 . 1 1 13 13 LEU H H 13 8.084 8.084 7.396 0.688 19606 57 1 1 . 1 1 14 14 MET N N 14 118.344 118.344 115.790 2.554 19606 58 1 1 . 1 1 14 14 MET HA H 14 4.251 4.251 3.627 0.624 19606 59 1 1 . 1 1 14 14 MET CA C 14 57.168 57.168 57.867 -0.699 19606 60 1 1 . 1 1 14 14 MET CB C 14 30.824 30.824 31.484 -0.660 19606 61 1 1 . 1 1 14 14 MET H H 14 8.735 8.735 8.026 0.709 19606 62 1 1 . 1 1 15 15 ALA N N 15 121.078 121.078 120.618 0.460 19606 63 1 1 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.265 -0.133 19606 64 1 1 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.992 0.292 19606 65 1 1 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.980 -0.129 19606 66 1 1 . 1 1 15 15 ALA H H 15 7.934 7.934 7.671 0.263 19606 67 1 1 . 1 1 16 16 HIS N N 16 117.529 117.529 116.116 1.413 19606 68 1 1 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.591 -0.051 19606 69 1 1 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.406 1.395 19606 70 1 1 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.179 0.410 19606 71 1 1 . 1 1 16 16 HIS H H 16 7.779 7.779 7.395 0.384 19606 72 1 1 . 1 1 17 17 LEU N N 17 118.416 118.416 118.922 -0.506 19606 73 1 1 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.236 -0.043 19606 74 1 1 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.875 0.788 19606 75 1 1 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.934 -0.898 19606 76 1 1 . 1 1 17 17 LEU H H 17 8.108 8.108 7.227 0.881 19606 77 1 1 . 1 1 18 18 PHE N N 18 120.735 120.735 118.459 2.276 19606 78 1 1 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.177 0.061 19606 79 1 1 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.535 0.606 19606 80 1 1 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.535 0.951 19606 81 1 1 . 1 1 18 18 PHE H H 18 8.671 8.671 7.700 0.971 19606 82 1 1 . 1 1 19 19 GLU N N 19 120.792 120.792 118.592 2.200 19606 83 1 1 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.093 -0.045 19606 84 1 1 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.575 0.420 19606 85 1 1 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.451 -0.050 19606 86 1 1 . 1 1 19 19 GLU H H 19 8.274 8.274 7.837 0.437 19606 87 1 1 . 1 1 20 20 MET N N 20 116.057 116.057 116.501 -0.444 19606 88 1 1 . 1 1 20 20 MET HA H 20 4.171 4.171 4.258 -0.087 19606 89 1 1 . 1 1 20 20 MET CA C 20 56.651 56.651 56.837 -0.186 19606 90 1 1 . 1 1 20 20 MET CB C 20 34.798 34.798 33.688 1.110 19606 91 1 1 . 1 1 20 20 MET H H 20 7.428 7.428 7.875 -0.447 19606 92 1 1 . 1 1 21 21 GLY N N 21 104.987 104.987 104.133 0.854 19606 93 1 1 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.842 0.015 19606 94 1 1 . 1 1 21 21 GLY H H 21 7.655 7.655 7.629 0.026 19606 95 1 1 . 1 1 22 22 PHE N N 22 123.944 123.944 120.543 3.401 19606 96 1 1 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.455 0.386 19606 97 1 1 . 1 1 22 22 PHE CA C 22 56.627 56.627 59.996 -3.369 19606 98 1 1 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.831 -2.422 19606 99 1 1 . 1 1 22 22 PHE H H 22 7.893 7.893 7.441 0.452 19606 100 1 1 . 1 1 23 23 CYS N N 23 119.030 119.030 118.266 0.764 19606 101 1 1 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.247 -0.364 19606 102 1 1 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.986 -2.138 19606 103 1 1 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.615 1.753 19606 104 1 1 . 1 1 23 23 CYS H H 23 7.872 7.872 8.660 -0.788 19606 105 1 1 . 1 1 24 24 ASP N N 24 123.683 123.683 120.557 3.126 19606 106 1 1 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.982 -0.250 19606 107 1 1 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.890 -1.330 19606 108 1 1 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.189 -0.881 19606 109 1 1 . 1 1 24 24 ASP H H 24 9.239 9.239 8.651 0.588 19606 110 1 1 . 1 1 25 25 ARG N N 25 124.745 124.745 123.556 1.189 19606 111 1 1 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.233 -0.233 19606 112 1 1 . 1 1 25 25 ARG CA C 25 60.689 60.689 58.849 1.840 19606 113 1 1 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.700 1.550 19606 114 1 1 . 1 1 25 25 ARG H H 25 8.311 8.311 8.673 -0.362 19606 115 1 1 . 1 1 26 26 GLN N N 26 115.947 115.947 118.206 -2.259 19606 116 1 1 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.128 -0.096 19606 117 1 1 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.802 0.362 19606 118 1 1 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.179 0.062 19606 119 1 1 . 1 1 26 26 GLN H H 26 8.305 8.305 8.467 -0.162 19606 120 1 1 . 1 1 27 27 LEU N N 27 124.102 124.102 121.427 2.675 19606 121 1 1 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.962 0.058 19606 122 1 1 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.082 -0.398 19606 123 1 1 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.305 0.330 19606 124 1 1 . 1 1 27 27 LEU H H 27 7.650 7.650 7.586 0.064 19606 125 1 1 . 1 1 28 28 ASN N N 28 117.933 117.933 116.797 1.136 19606 126 1 1 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.279 -0.228 19606 127 1 1 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.971 -0.072 19606 128 1 1 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.968 0.315 19606 129 1 1 . 1 1 28 28 ASN H H 28 8.593 8.593 8.069 0.524 19606 130 1 1 . 1 1 29 29 LEU N N 29 119.088 119.088 121.722 -2.634 19606 131 1 1 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.166 -0.137 19606 132 1 1 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.751 0.476 19606 133 1 1 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.451 0.725 19606 134 1 1 . 1 1 29 29 LEU H H 29 8.255 8.255 7.491 0.764 19606 135 1 1 . 1 1 30 30 ARG N N 30 119.126 119.126 119.572 -0.446 19606 136 1 1 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.110 -0.135 19606 137 1 1 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.547 1.327 19606 138 1 1 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.431 0.708 19606 139 1 1 . 1 1 30 30 ARG H H 30 7.658 7.658 7.966 -0.308 19606 140 1 1 . 1 1 31 31 LEU N N 31 119.791 119.791 120.619 -0.828 19606 141 1 1 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.087 -0.037 19606 142 1 1 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.429 0.162 19606 143 1 1 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.181 1.511 19606 144 1 1 . 1 1 31 31 LEU H H 31 8.557 8.557 8.446 0.111 19606 145 1 1 . 1 1 32 32 LEU N N 32 121.080 121.080 120.005 1.075 19606 146 1 1 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.808 -0.335 19606 147 1 1 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.518 0.051 19606 148 1 1 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.525 -0.305 19606 149 1 1 . 1 1 32 32 LEU H H 32 8.822 8.822 7.971 0.851 19606 150 1 1 . 1 1 33 33 LYS N N 33 116.581 116.581 117.016 -0.435 19606 151 1 1 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.148 -0.525 19606 152 1 1 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.949 0.720 19606 153 1 1 . 1 1 33 33 LYS CB C 33 32.299 32.299 32.002 0.297 19606 154 1 1 . 1 1 33 33 LYS H H 33 7.510 7.510 7.564 -0.054 19606 155 1 1 . 1 1 34 34 LYS N N 34 121.781 121.781 118.532 3.249 19606 156 1 1 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.055 -0.257 19606 157 1 1 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.189 1.120 19606 158 1 1 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.367 1.154 19606 159 1 1 . 1 1 34 34 LYS H H 34 7.915 7.915 7.245 0.670 19606 160 1 1 . 1 1 35 35 HIS N N 35 113.017 113.017 113.981 -0.964 19606 161 1 1 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.670 0.108 19606 162 1 1 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.851 -0.314 19606 163 1 1 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.724 0.497 19606 164 1 1 . 1 1 35 35 HIS H H 35 7.662 7.662 7.851 -0.189 19606 165 1 1 . 1 1 36 36 ASN N N 36 119.419 119.419 116.285 3.134 19606 166 1 1 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.443 -0.188 19606 167 1 1 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.096 0.968 19606 168 1 1 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.188 1.015 19606 169 1 1 . 1 1 36 36 ASN H H 36 7.781 7.781 7.942 -0.161 19606 170 1 1 . 1 1 37 37 TYR N N 37 107.213 107.213 112.131 -4.918 19606 171 1 1 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.093 0.116 19606 172 1 1 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.433 1.375 19606 173 1 1 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.191 -2.236 19606 174 1 1 . 1 1 37 37 TYR H H 37 9.103 9.103 8.794 0.309 19606 175 1 1 . 1 1 38 38 ASN N N 38 116.482 116.482 119.297 -2.815 19606 176 1 1 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.991 -0.176 19606 177 1 1 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.737 0.941 19606 178 1 1 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.790 -0.309 19606 179 1 1 . 1 1 38 38 ASN H H 38 7.249 7.249 7.988 -0.739 19606 180 1 1 . 1 1 39 39 ILE N N 39 126.777 126.777 125.785 0.992 19606 181 1 1 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.721 0.054 19606 182 1 1 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.133 -0.121 19606 183 1 1 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.250 0.187 19606 184 1 1 . 1 1 39 39 ILE H H 39 8.568 8.568 8.584 -0.016 19606 185 1 1 . 1 1 40 40 LEU N N 40 122.044 122.044 118.344 3.700 19606 186 1 1 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.822 0.196 19606 187 1 1 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.101 0.099 19606 188 1 1 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.932 -0.233 19606 189 1 1 . 1 1 40 40 LEU H H 40 7.993 7.993 7.974 0.019 19606 190 1 1 . 1 1 41 41 GLN N N 41 119.421 119.421 117.008 2.413 19606 191 1 1 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.884 -0.128 19606 192 1 1 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.917 0.401 19606 193 1 1 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.823 0.281 19606 194 1 1 . 1 1 41 41 GLN H H 41 7.555 7.555 7.570 -0.015 19606 195 1 1 . 1 1 42 42 VAL N N 42 119.806 119.806 121.641 -1.835 19606 196 1 1 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.794 -0.602 19606 197 1 1 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.400 1.954 19606 198 1 1 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.956 0.589 19606 199 1 1 . 1 1 42 42 VAL H H 42 7.454 7.454 8.180 -0.726 19606 200 1 1 . 1 1 43 43 VAL N N 43 118.511 118.511 119.212 -0.701 19606 201 1 1 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.616 -0.476 19606 202 1 1 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.863 0.105 19606 203 1 1 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.009 0.758 19606 204 1 1 . 1 1 43 43 VAL H H 43 8.396 8.396 8.681 -0.285 19606 205 1 1 . 1 1 44 44 THR N N 44 114.155 114.155 115.136 -0.981 19606 206 1 1 . 1 1 44 44 THR HA H 44 3.673 3.673 4.063 -0.390 19606 207 1 1 . 1 1 44 44 THR CA C 44 67.784 67.784 66.559 1.225 19606 208 1 1 . 1 1 44 44 THR CB C 44 68.711 68.711 68.091 0.620 19606 209 1 1 . 1 1 44 44 THR H H 44 7.767 7.767 7.725 0.042 19606 210 1 1 . 1 1 45 45 GLU N N 45 121.134 121.134 123.398 -2.264 19606 211 1 1 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.158 -0.116 19606 212 1 1 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.510 0.726 19606 213 1 1 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.416 -0.814 19606 214 1 1 . 1 1 45 45 GLU H H 45 7.326 7.326 7.688 -0.361 19606 215 1 1 . 1 1 46 46 LEU N N 46 120.965 120.965 120.286 0.679 19606 216 1 1 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.803 -0.053 19606 217 1 1 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.912 0.395 19606 218 1 1 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.642 0.874 19606 219 1 1 . 1 1 46 46 LEU H H 46 8.362 8.362 7.722 0.640 19606 220 1 1 . 1 1 47 47 LEU N N 47 118.138 118.138 118.902 -0.764 19606 221 1 1 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.142 0.042 19606 222 1 1 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.057 -0.830 19606 223 1 1 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.809 0.308 19606 224 1 1 . 1 1 47 47 LEU H H 47 8.200 8.200 7.858 0.342 19606 225 1 1 . 1 1 48 48 GLN N N 48 118.147 118.147 116.843 1.304 19606 226 1 1 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.011 0.185 19606 227 1 1 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.611 -1.090 19606 228 1 1 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.867 -0.366 19606 229 1 1 . 1 1 48 48 GLN H H 48 7.643 7.643 7.664 -0.021 19606 230 1 1 . 1 1 49 49 LEU N N 49 119.709 119.709 119.668 0.041 19606 231 1 1 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.076 0.150 19606 232 1 1 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.698 -1.362 19606 233 1 1 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.060 0.272 19606 234 1 1 . 1 1 49 49 LEU H H 49 7.966 7.966 8.601 -0.635 19606 235 1 1 . 1 1 50 50 ASN N N 50 117.058 117.058 114.022 3.036 19606 236 1 1 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.832 -0.101 19606 237 1 1 . 1 1 50 50 ASN CA C 50 53.671 53.671 52.377 1.294 19606 238 1 1 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.878 0.313 19606 239 1 1 . 1 1 50 50 ASN H H 50 7.930 7.930 7.777 0.153 19606 240 1 1 . 1 1 51 51 ASN N N 51 119.097 119.097 118.639 0.458 19606 241 1 1 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.630 0.176 19606 242 1 1 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.043 -1.608 19606 243 1 1 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.117 1.058 19606 244 1 1 . 1 1 51 51 ASN H H 51 8.114 8.114 8.323 -0.209 19606 245 1 2 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.378 0.351 19606 246 1 2 . 1 1 2 2 PRO CA C 2 63.151 63.151 64.338 -1.187 19606 247 1 2 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.030 0.327 19606 248 1 2 . 1 1 3 3 LEU N N 3 122.408 122.408 119.020 3.388 19606 249 1 2 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.383 -0.027 19606 250 1 2 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.414 1.018 19606 251 1 2 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.931 -0.617 19606 252 1 2 . 1 1 3 3 LEU H H 3 8.542 8.542 7.694 0.848 19606 253 1 2 . 1 1 4 4 GLY N N 4 109.946 109.946 104.599 5.347 19606 254 1 2 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.578 0.716 19606 255 1 2 . 1 1 4 4 GLY H H 4 8.406 8.406 7.622 0.784 19606 256 1 2 . 1 1 5 5 SER N N 5 115.532 115.532 118.563 -3.031 19606 257 1 2 . 1 1 5 5 SER HA H 5 4.501 4.501 4.471 0.030 19606 258 1 2 . 1 1 5 5 SER CA C 5 58.036 58.036 58.770 -0.734 19606 259 1 2 . 1 1 5 5 SER CB C 5 64.169 64.169 63.952 0.217 19606 260 1 2 . 1 1 5 5 SER H H 5 8.216 8.216 8.544 -0.328 19606 261 1 2 . 1 1 6 6 SER N N 6 117.955 117.955 117.170 0.785 19606 262 1 2 . 1 1 6 6 SER HA H 6 4.420 4.420 4.658 -0.238 19606 263 1 2 . 1 1 6 6 SER CA C 6 58.902 58.902 57.953 0.949 19606 264 1 2 . 1 1 6 6 SER CB C 6 63.798 63.798 64.162 -0.363 19606 265 1 2 . 1 1 6 6 SER H H 6 8.460 8.460 8.345 0.115 19606 266 1 2 . 1 1 7 7 GLU N N 7 122.747 122.747 126.814 -4.067 19606 267 1 2 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.254 -0.229 19606 268 1 2 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.195 -0.127 19606 269 1 2 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.929 -0.176 19606 270 1 2 . 1 1 7 7 GLU H H 7 8.550 8.550 9.098 -0.548 19606 271 1 2 . 1 1 8 8 ASP N N 8 120.868 120.868 118.877 1.991 19606 272 1 2 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.372 0.123 19606 273 1 2 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.491 -0.901 19606 274 1 2 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.532 0.130 19606 275 1 2 . 1 1 8 8 ASP H H 8 8.293 8.293 8.659 -0.366 19606 276 1 2 . 1 1 9 9 GLN N N 9 121.706 121.706 118.477 3.229 19606 277 1 2 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.021 0.314 19606 278 1 2 . 1 1 9 9 GLN CA C 9 57.493 57.493 59.111 -1.618 19606 279 1 2 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.600 0.139 19606 280 1 2 . 1 1 9 9 GLN H H 9 8.290 8.290 7.708 0.582 19606 281 1 2 . 1 1 10 10 THR N N 10 115.700 115.700 115.600 0.100 19606 282 1 2 . 1 1 10 10 THR HA H 10 3.802 3.802 3.805 -0.003 19606 283 1 2 . 1 1 10 10 THR CA C 10 67.728 67.728 66.057 1.671 19606 284 1 2 . 1 1 10 10 THR CB C 10 68.615 68.615 68.432 0.183 19606 285 1 2 . 1 1 10 10 THR H H 10 8.193 8.193 7.786 0.407 19606 286 1 2 . 1 1 11 11 ALA N N 11 123.074 123.074 122.662 0.412 19606 287 1 2 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.084 -0.055 19606 288 1 2 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.776 0.909 19606 289 1 2 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.955 0.010 19606 290 1 2 . 1 1 11 11 ALA H H 11 8.242 8.242 7.474 0.768 19606 291 1 2 . 1 1 12 12 ALA N N 12 121.630 121.630 121.076 0.554 19606 292 1 2 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.039 0.135 19606 293 1 2 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.447 0.515 19606 294 1 2 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.341 -0.132 19606 295 1 2 . 1 1 12 12 ALA H H 12 7.994 7.994 7.466 0.528 19606 296 1 2 . 1 1 13 13 LEU N N 13 118.959 118.959 118.333 0.626 19606 297 1 2 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.485 0.695 19606 298 1 2 . 1 1 13 13 LEU CA C 13 58.084 58.084 56.964 1.120 19606 299 1 2 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.445 0.693 19606 300 1 2 . 1 1 13 13 LEU H H 13 8.084 8.084 7.286 0.798 19606 301 1 2 . 1 1 14 14 MET N N 14 118.344 118.344 116.376 1.968 19606 302 1 2 . 1 1 14 14 MET HA H 14 4.251 4.251 3.627 0.624 19606 303 1 2 . 1 1 14 14 MET CA C 14 57.168 57.168 58.587 -1.419 19606 304 1 2 . 1 1 14 14 MET CB C 14 30.824 30.824 32.143 -1.319 19606 305 1 2 . 1 1 14 14 MET H H 14 8.735 8.735 8.216 0.519 19606 306 1 2 . 1 1 15 15 ALA N N 15 121.078 121.078 120.003 1.075 19606 307 1 2 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.196 -0.064 19606 308 1 2 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.568 0.716 19606 309 1 2 . 1 1 15 15 ALA CB C 15 17.851 17.851 18.059 -0.208 19606 310 1 2 . 1 1 15 15 ALA H H 15 7.934 7.934 7.457 0.477 19606 311 1 2 . 1 1 16 16 HIS N N 16 117.529 117.529 116.705 0.824 19606 312 1 2 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.324 0.216 19606 313 1 2 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.975 0.826 19606 314 1 2 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.151 0.439 19606 315 1 2 . 1 1 16 16 HIS H H 16 7.779 7.779 7.372 0.407 19606 316 1 2 . 1 1 17 17 LEU N N 17 118.416 118.416 118.499 -0.083 19606 317 1 2 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.346 -0.153 19606 318 1 2 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.983 0.680 19606 319 1 2 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.902 -0.866 19606 320 1 2 . 1 1 17 17 LEU H H 17 8.108 8.108 7.231 0.877 19606 321 1 2 . 1 1 18 18 PHE N N 18 120.735 120.735 118.410 2.325 19606 322 1 2 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.205 0.032 19606 323 1 2 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.361 0.780 19606 324 1 2 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.520 0.966 19606 325 1 2 . 1 1 18 18 PHE H H 18 8.671 8.671 7.449 1.222 19606 326 1 2 . 1 1 19 19 GLU N N 19 120.792 120.792 118.363 2.429 19606 327 1 2 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.121 -0.073 19606 328 1 2 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.810 0.184 19606 329 1 2 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.431 -0.030 19606 330 1 2 . 1 1 19 19 GLU H H 19 8.274 8.274 7.904 0.370 19606 331 1 2 . 1 1 20 20 MET N N 20 116.057 116.057 115.572 0.485 19606 332 1 2 . 1 1 20 20 MET HA H 20 4.171 4.171 4.394 -0.223 19606 333 1 2 . 1 1 20 20 MET CA C 20 56.651 56.651 55.327 1.324 19606 334 1 2 . 1 1 20 20 MET CB C 20 34.798 34.798 33.173 1.625 19606 335 1 2 . 1 1 20 20 MET H H 20 7.428 7.428 8.006 -0.578 19606 336 1 2 . 1 1 21 21 GLY N N 21 104.987 104.987 104.035 0.952 19606 337 1 2 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.886 -0.029 19606 338 1 2 . 1 1 21 21 GLY H H 21 7.655 7.655 7.665 -0.010 19606 339 1 2 . 1 1 22 22 PHE N N 22 123.944 123.944 120.770 3.174 19606 340 1 2 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.266 0.575 19606 341 1 2 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.333 -4.706 19606 342 1 2 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.268 -1.859 19606 343 1 2 . 1 1 22 22 PHE H H 22 7.893 7.893 7.240 0.653 19606 344 1 2 . 1 1 23 23 CYS N N 23 119.030 119.030 117.048 1.982 19606 345 1 2 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.313 -0.430 19606 346 1 2 . 1 1 23 23 CYS CA C 23 57.848 57.848 60.422 -2.574 19606 347 1 2 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.700 1.669 19606 348 1 2 . 1 1 23 23 CYS H H 23 7.872 7.872 8.947 -1.075 19606 349 1 2 . 1 1 24 24 ASP N N 24 123.683 123.683 121.846 1.837 19606 350 1 2 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.970 -0.238 19606 351 1 2 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.959 -1.399 19606 352 1 2 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.104 -0.796 19606 353 1 2 . 1 1 24 24 ASP H H 24 9.239 9.239 8.588 0.651 19606 354 1 2 . 1 1 25 25 ARG N N 25 124.745 124.745 124.175 0.570 19606 355 1 2 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.159 -0.159 19606 356 1 2 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.205 1.484 19606 357 1 2 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.371 1.878 19606 358 1 2 . 1 1 25 25 ARG H H 25 8.311 8.311 8.808 -0.497 19606 359 1 2 . 1 1 26 26 GLN N N 26 115.947 115.947 118.309 -2.362 19606 360 1 2 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.172 -0.140 19606 361 1 2 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.894 0.270 19606 362 1 2 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.136 0.105 19606 363 1 2 . 1 1 26 26 GLN H H 26 8.305 8.305 8.496 -0.191 19606 364 1 2 . 1 1 27 27 LEU N N 27 124.102 124.102 121.535 2.567 19606 365 1 2 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.980 0.040 19606 366 1 2 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.054 -0.370 19606 367 1 2 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.290 0.345 19606 368 1 2 . 1 1 27 27 LEU H H 27 7.650 7.650 7.620 0.030 19606 369 1 2 . 1 1 28 28 ASN N N 28 117.933 117.933 116.808 1.125 19606 370 1 2 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.267 -0.216 19606 371 1 2 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.936 -0.037 19606 372 1 2 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.928 0.355 19606 373 1 2 . 1 1 28 28 ASN H H 28 8.593 8.593 8.178 0.415 19606 374 1 2 . 1 1 29 29 LEU N N 29 119.088 119.088 121.507 -2.419 19606 375 1 2 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.171 -0.142 19606 376 1 2 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.802 0.425 19606 377 1 2 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.455 0.721 19606 378 1 2 . 1 1 29 29 LEU H H 29 8.255 8.255 7.512 0.743 19606 379 1 2 . 1 1 30 30 ARG N N 30 119.126 119.126 119.640 -0.514 19606 380 1 2 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.109 -0.134 19606 381 1 2 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.562 1.312 19606 382 1 2 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.437 0.702 19606 383 1 2 . 1 1 30 30 ARG H H 30 7.658 7.658 7.944 -0.286 19606 384 1 2 . 1 1 31 31 LEU N N 31 119.791 119.791 120.689 -0.898 19606 385 1 2 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.147 -0.097 19606 386 1 2 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.094 0.497 19606 387 1 2 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.349 1.343 19606 388 1 2 . 1 1 31 31 LEU H H 31 8.557 8.557 8.485 0.072 19606 389 1 2 . 1 1 32 32 LEU N N 32 121.080 121.080 120.113 0.967 19606 390 1 2 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.816 -0.343 19606 391 1 2 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.479 0.090 19606 392 1 2 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.507 -0.287 19606 393 1 2 . 1 1 32 32 LEU H H 32 8.822 8.822 7.997 0.825 19606 394 1 2 . 1 1 33 33 LYS N N 33 116.581 116.581 116.558 0.023 19606 395 1 2 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.165 -0.542 19606 396 1 2 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.735 0.934 19606 397 1 2 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.893 0.406 19606 398 1 2 . 1 1 33 33 LYS H H 33 7.510 7.510 7.651 -0.141 19606 399 1 2 . 1 1 34 34 LYS N N 34 121.781 121.781 118.333 3.448 19606 400 1 2 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.072 -0.274 19606 401 1 2 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.196 1.113 19606 402 1 2 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.421 1.100 19606 403 1 2 . 1 1 34 34 LYS H H 34 7.915 7.915 7.447 0.468 19606 404 1 2 . 1 1 35 35 HIS N N 35 113.017 113.017 114.005 -0.988 19606 405 1 2 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.689 0.089 19606 406 1 2 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.096 -0.559 19606 407 1 2 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.325 -0.103 19606 408 1 2 . 1 1 35 35 HIS H H 35 7.662 7.662 8.012 -0.350 19606 409 1 2 . 1 1 36 36 ASN N N 36 119.419 119.419 116.421 2.998 19606 410 1 2 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.439 -0.184 19606 411 1 2 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.253 0.811 19606 412 1 2 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.781 1.422 19606 413 1 2 . 1 1 36 36 ASN H H 36 7.781 7.781 7.966 -0.185 19606 414 1 2 . 1 1 37 37 TYR N N 37 107.213 107.213 112.790 -5.577 19606 415 1 2 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.060 0.149 19606 416 1 2 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.422 1.386 19606 417 1 2 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.217 -2.263 19606 418 1 2 . 1 1 37 37 TYR H H 37 9.103 9.103 8.925 0.178 19606 419 1 2 . 1 1 38 38 ASN N N 38 116.482 116.482 119.199 -2.717 19606 420 1 2 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.999 -0.184 19606 421 1 2 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.458 1.220 19606 422 1 2 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.459 0.022 19606 423 1 2 . 1 1 38 38 ASN H H 38 7.249 7.249 8.014 -0.765 19606 424 1 2 . 1 1 39 39 ILE N N 39 126.777 126.777 125.327 1.450 19606 425 1 2 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.703 0.072 19606 426 1 2 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.101 -0.089 19606 427 1 2 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.271 0.166 19606 428 1 2 . 1 1 39 39 ILE H H 39 8.568 8.568 8.530 0.038 19606 429 1 2 . 1 1 40 40 LEU N N 40 122.044 122.044 118.674 3.370 19606 430 1 2 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.791 0.227 19606 431 1 2 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.231 -0.031 19606 432 1 2 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.784 -0.085 19606 433 1 2 . 1 1 40 40 LEU H H 40 7.993 7.993 7.921 0.072 19606 434 1 2 . 1 1 41 41 GLN N N 41 119.421 119.421 117.031 2.390 19606 435 1 2 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.866 -0.110 19606 436 1 2 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.120 0.198 19606 437 1 2 . 1 1 41 41 GLN CB C 41 28.104 28.104 28.045 0.059 19606 438 1 2 . 1 1 41 41 GLN H H 41 7.555 7.555 7.492 0.063 19606 439 1 2 . 1 1 42 42 VAL N N 42 119.806 119.806 121.113 -1.307 19606 440 1 2 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.664 -0.472 19606 441 1 2 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.627 0.727 19606 442 1 2 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.490 0.055 19606 443 1 2 . 1 1 42 42 VAL H H 42 7.454 7.454 8.114 -0.660 19606 444 1 2 . 1 1 43 43 VAL N N 43 118.511 118.511 118.771 -0.260 19606 445 1 2 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.447 -0.307 19606 446 1 2 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.878 0.090 19606 447 1 2 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.890 0.877 19606 448 1 2 . 1 1 43 43 VAL H H 43 8.396 8.396 8.572 -0.176 19606 449 1 2 . 1 1 44 44 THR N N 44 114.155 114.155 114.687 -0.532 19606 450 1 2 . 1 1 44 44 THR HA H 44 3.673 3.673 3.951 -0.278 19606 451 1 2 . 1 1 44 44 THR CA C 44 67.784 67.784 67.364 0.420 19606 452 1 2 . 1 1 44 44 THR CB C 44 68.711 68.711 68.413 0.298 19606 453 1 2 . 1 1 44 44 THR H H 44 7.767 7.767 7.670 0.097 19606 454 1 2 . 1 1 45 45 GLU N N 45 121.134 121.134 122.691 -1.557 19606 455 1 2 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.123 -0.081 19606 456 1 2 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.492 0.743 19606 457 1 2 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.334 -0.733 19606 458 1 2 . 1 1 45 45 GLU H H 45 7.326 7.326 7.432 -0.106 19606 459 1 2 . 1 1 46 46 LEU N N 46 120.965 120.965 120.039 0.926 19606 460 1 2 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.895 -0.145 19606 461 1 2 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.913 0.394 19606 462 1 2 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.765 0.751 19606 463 1 2 . 1 1 46 46 LEU H H 46 8.362 8.362 7.740 0.622 19606 464 1 2 . 1 1 47 47 LEU N N 47 118.138 118.138 119.596 -1.458 19606 465 1 2 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.227 -0.043 19606 466 1 2 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.343 -1.116 19606 467 1 2 . 1 1 47 47 LEU CB C 47 42.117 42.117 42.000 0.117 19606 468 1 2 . 1 1 47 47 LEU H H 47 8.200 8.200 8.014 0.186 19606 469 1 2 . 1 1 48 48 GLN N N 48 118.147 118.147 118.910 -0.763 19606 470 1 2 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.950 0.246 19606 471 1 2 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.021 -1.500 19606 472 1 2 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.832 -0.331 19606 473 1 2 . 1 1 48 48 GLN H H 48 7.643 7.643 8.121 -0.478 19606 474 1 2 . 1 1 49 49 LEU N N 49 119.709 119.709 120.449 -0.740 19606 475 1 2 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.104 0.122 19606 476 1 2 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.636 -1.300 19606 477 1 2 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.106 0.227 19606 478 1 2 . 1 1 49 49 LEU H H 49 7.966 7.966 8.621 -0.655 19606 479 1 2 . 1 1 50 50 ASN N N 50 117.058 117.058 114.339 2.719 19606 480 1 2 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.842 -0.111 19606 481 1 2 . 1 1 50 50 ASN CA C 50 53.671 53.671 52.858 0.813 19606 482 1 2 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.868 0.323 19606 483 1 2 . 1 1 50 50 ASN H H 50 7.930 7.930 7.885 0.045 19606 484 1 2 . 1 1 51 51 ASN N N 51 119.097 119.097 118.674 0.423 19606 485 1 2 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.782 0.024 19606 486 1 2 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.161 -0.726 19606 487 1 2 . 1 1 51 51 ASN CB C 51 39.175 39.175 40.586 -1.411 19606 488 1 2 . 1 1 51 51 ASN H H 51 8.114 8.114 8.205 -0.091 19606 489 1 3 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.553 0.176 19606 490 1 3 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.312 0.839 19606 491 1 3 . 1 1 2 2 PRO CB C 2 32.357 32.357 33.319 -0.962 19606 492 1 3 . 1 1 3 3 LEU N N 3 122.408 122.408 123.281 -0.873 19606 493 1 3 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.388 -0.032 19606 494 1 3 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.090 0.342 19606 495 1 3 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.827 -0.513 19606 496 1 3 . 1 1 3 3 LEU H H 3 8.542 8.542 8.174 0.368 19606 497 1 3 . 1 1 4 4 GLY N N 4 109.946 109.946 113.813 -3.867 19606 498 1 3 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.878 0.416 19606 499 1 3 . 1 1 4 4 GLY H H 4 8.406 8.406 8.409 -0.003 19606 500 1 3 . 1 1 5 5 SER N N 5 115.532 115.532 118.695 -3.163 19606 501 1 3 . 1 1 5 5 SER HA H 5 4.501 4.501 4.450 0.051 19606 502 1 3 . 1 1 5 5 SER CA C 5 58.036 58.036 59.020 -0.984 19606 503 1 3 . 1 1 5 5 SER CB C 5 64.169 64.169 63.526 0.643 19606 504 1 3 . 1 1 5 5 SER H H 5 8.216 8.216 8.482 -0.266 19606 505 1 3 . 1 1 6 6 SER N N 6 117.955 117.955 116.388 1.567 19606 506 1 3 . 1 1 6 6 SER HA H 6 4.420 4.420 4.781 -0.361 19606 507 1 3 . 1 1 6 6 SER CA C 6 58.902 58.902 57.846 1.056 19606 508 1 3 . 1 1 6 6 SER CB C 6 63.798 63.798 65.339 -1.541 19606 509 1 3 . 1 1 6 6 SER H H 6 8.460 8.460 7.891 0.569 19606 510 1 3 . 1 1 7 7 GLU N N 7 122.747 122.747 125.501 -2.754 19606 511 1 3 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.198 -0.173 19606 512 1 3 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.205 -0.137 19606 513 1 3 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.036 -0.283 19606 514 1 3 . 1 1 7 7 GLU H H 7 8.550 8.550 8.942 -0.392 19606 515 1 3 . 1 1 8 8 ASP N N 8 120.868 120.868 118.914 1.954 19606 516 1 3 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.344 0.151 19606 517 1 3 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.877 -1.287 19606 518 1 3 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.238 0.424 19606 519 1 3 . 1 1 8 8 ASP H H 8 8.293 8.293 8.745 -0.452 19606 520 1 3 . 1 1 9 9 GLN N N 9 121.706 121.706 119.126 2.580 19606 521 1 3 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.027 0.308 19606 522 1 3 . 1 1 9 9 GLN CA C 9 57.493 57.493 59.126 -1.633 19606 523 1 3 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.578 0.161 19606 524 1 3 . 1 1 9 9 GLN H H 9 8.290 8.290 7.768 0.522 19606 525 1 3 . 1 1 10 10 THR N N 10 115.700 115.700 116.372 -0.672 19606 526 1 3 . 1 1 10 10 THR HA H 10 3.802 3.802 3.777 0.025 19606 527 1 3 . 1 1 10 10 THR CA C 10 67.728 67.728 66.086 1.642 19606 528 1 3 . 1 1 10 10 THR CB C 10 68.615 68.615 68.429 0.186 19606 529 1 3 . 1 1 10 10 THR H H 10 8.193 8.193 7.660 0.533 19606 530 1 3 . 1 1 11 11 ALA N N 11 123.074 123.074 122.290 0.784 19606 531 1 3 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.068 -0.039 19606 532 1 3 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.857 0.828 19606 533 1 3 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.091 -0.126 19606 534 1 3 . 1 1 11 11 ALA H H 11 8.242 8.242 7.532 0.710 19606 535 1 3 . 1 1 12 12 ALA N N 12 121.630 121.630 121.323 0.307 19606 536 1 3 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.025 0.149 19606 537 1 3 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.451 0.511 19606 538 1 3 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.294 -0.085 19606 539 1 3 . 1 1 12 12 ALA H H 12 7.994 7.994 7.438 0.556 19606 540 1 3 . 1 1 13 13 LEU N N 13 118.959 118.959 118.626 0.333 19606 541 1 3 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.443 0.737 19606 542 1 3 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.149 0.935 19606 543 1 3 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.490 0.648 19606 544 1 3 . 1 1 13 13 LEU H H 13 8.084 8.084 7.428 0.656 19606 545 1 3 . 1 1 14 14 MET N N 14 118.344 118.344 116.106 2.238 19606 546 1 3 . 1 1 14 14 MET HA H 14 4.251 4.251 3.604 0.647 19606 547 1 3 . 1 1 14 14 MET CA C 14 57.168 57.168 58.627 -1.459 19606 548 1 3 . 1 1 14 14 MET CB C 14 30.824 30.824 32.084 -1.260 19606 549 1 3 . 1 1 14 14 MET H H 14 8.735 8.735 8.109 0.626 19606 550 1 3 . 1 1 15 15 ALA N N 15 121.078 121.078 120.427 0.651 19606 551 1 3 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.254 -0.122 19606 552 1 3 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.895 0.389 19606 553 1 3 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.936 -0.085 19606 554 1 3 . 1 1 15 15 ALA H H 15 7.934 7.934 7.547 0.387 19606 555 1 3 . 1 1 16 16 HIS N N 16 117.529 117.529 116.592 0.937 19606 556 1 3 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.339 0.201 19606 557 1 3 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.834 0.967 19606 558 1 3 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.189 0.400 19606 559 1 3 . 1 1 16 16 HIS H H 16 7.779 7.779 7.498 0.281 19606 560 1 3 . 1 1 17 17 LEU N N 17 118.416 118.416 118.862 -0.446 19606 561 1 3 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.263 -0.070 19606 562 1 3 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.938 0.725 19606 563 1 3 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.912 -0.876 19606 564 1 3 . 1 1 17 17 LEU H H 17 8.108 8.108 7.137 0.971 19606 565 1 3 . 1 1 18 18 PHE N N 18 120.735 120.735 118.272 2.463 19606 566 1 3 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.195 0.043 19606 567 1 3 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.533 0.608 19606 568 1 3 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.550 0.936 19606 569 1 3 . 1 1 18 18 PHE H H 18 8.671 8.671 7.538 1.133 19606 570 1 3 . 1 1 19 19 GLU N N 19 120.792 120.792 118.251 2.541 19606 571 1 3 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.137 -0.089 19606 572 1 3 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.612 0.383 19606 573 1 3 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.328 0.073 19606 574 1 3 . 1 1 19 19 GLU H H 19 8.274 8.274 7.844 0.430 19606 575 1 3 . 1 1 20 20 MET N N 20 116.057 116.057 116.576 -0.519 19606 576 1 3 . 1 1 20 20 MET HA H 20 4.171 4.171 4.267 -0.096 19606 577 1 3 . 1 1 20 20 MET CA C 20 56.651 56.651 56.863 -0.212 19606 578 1 3 . 1 1 20 20 MET CB C 20 34.798 34.798 33.782 1.016 19606 579 1 3 . 1 1 20 20 MET H H 20 7.428 7.428 7.918 -0.490 19606 580 1 3 . 1 1 21 21 GLY N N 21 104.987 104.987 104.235 0.752 19606 581 1 3 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.834 0.023 19606 582 1 3 . 1 1 21 21 GLY H H 21 7.655 7.655 7.691 -0.036 19606 583 1 3 . 1 1 22 22 PHE N N 22 123.944 123.944 120.533 3.411 19606 584 1 3 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.469 0.372 19606 585 1 3 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.010 -3.382 19606 586 1 3 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.974 -2.565 19606 587 1 3 . 1 1 22 22 PHE H H 22 7.893 7.893 7.448 0.445 19606 588 1 3 . 1 1 23 23 CYS N N 23 119.030 119.030 118.345 0.685 19606 589 1 3 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.239 -0.356 19606 590 1 3 . 1 1 23 23 CYS CA C 23 57.848 57.848 60.210 -2.362 19606 591 1 3 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.257 2.111 19606 592 1 3 . 1 1 23 23 CYS H H 23 7.872 7.872 8.669 -0.797 19606 593 1 3 . 1 1 24 24 ASP N N 24 123.683 123.683 120.661 3.022 19606 594 1 3 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.999 -0.267 19606 595 1 3 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.993 -1.433 19606 596 1 3 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.280 -0.972 19606 597 1 3 . 1 1 24 24 ASP H H 24 9.239 9.239 8.652 0.587 19606 598 1 3 . 1 1 25 25 ARG N N 25 124.745 124.745 123.558 1.187 19606 599 1 3 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.154 -0.154 19606 600 1 3 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.288 1.401 19606 601 1 3 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.841 1.408 19606 602 1 3 . 1 1 25 25 ARG H H 25 8.311 8.311 8.680 -0.369 19606 603 1 3 . 1 1 26 26 GLN N N 26 115.947 115.947 117.921 -1.974 19606 604 1 3 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.152 -0.120 19606 605 1 3 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.230 0.934 19606 606 1 3 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.931 0.310 19606 607 1 3 . 1 1 26 26 GLN H H 26 8.305 8.305 8.608 -0.303 19606 608 1 3 . 1 1 27 27 LEU N N 27 124.102 124.102 122.153 1.949 19606 609 1 3 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.023 -0.003 19606 610 1 3 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.712 -0.028 19606 611 1 3 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.486 0.149 19606 612 1 3 . 1 1 27 27 LEU H H 27 7.650 7.650 7.443 0.207 19606 613 1 3 . 1 1 28 28 ASN N N 28 117.933 117.933 117.586 0.347 19606 614 1 3 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.292 -0.241 19606 615 1 3 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.955 -0.056 19606 616 1 3 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.847 0.436 19606 617 1 3 . 1 1 28 28 ASN H H 28 8.593 8.593 8.137 0.456 19606 618 1 3 . 1 1 29 29 LEU N N 29 119.088 119.088 121.291 -2.203 19606 619 1 3 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.183 -0.154 19606 620 1 3 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.762 0.465 19606 621 1 3 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.451 0.725 19606 622 1 3 . 1 1 29 29 LEU H H 29 8.255 8.255 7.640 0.615 19606 623 1 3 . 1 1 30 30 ARG N N 30 119.126 119.126 119.651 -0.525 19606 624 1 3 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.104 -0.129 19606 625 1 3 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.554 1.320 19606 626 1 3 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.401 0.738 19606 627 1 3 . 1 1 30 30 ARG H H 30 7.658 7.658 7.734 -0.076 19606 628 1 3 . 1 1 31 31 LEU N N 31 119.791 119.791 120.687 -0.896 19606 629 1 3 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.115 -0.065 19606 630 1 3 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.125 0.466 19606 631 1 3 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.314 1.378 19606 632 1 3 . 1 1 31 31 LEU H H 31 8.557 8.557 8.445 0.112 19606 633 1 3 . 1 1 32 32 LEU N N 32 121.080 121.080 120.183 0.897 19606 634 1 3 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.813 -0.340 19606 635 1 3 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.464 0.105 19606 636 1 3 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.488 -0.268 19606 637 1 3 . 1 1 32 32 LEU H H 32 8.822 8.822 7.858 0.964 19606 638 1 3 . 1 1 33 33 LYS N N 33 116.581 116.581 115.723 0.858 19606 639 1 3 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.155 -0.532 19606 640 1 3 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.659 1.010 19606 641 1 3 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.899 0.400 19606 642 1 3 . 1 1 33 33 LYS H H 33 7.510 7.510 7.593 -0.083 19606 643 1 3 . 1 1 34 34 LYS N N 34 121.781 121.781 118.518 3.263 19606 644 1 3 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.057 -0.259 19606 645 1 3 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.245 1.064 19606 646 1 3 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.530 0.991 19606 647 1 3 . 1 1 34 34 LYS H H 34 7.915 7.915 7.362 0.553 19606 648 1 3 . 1 1 35 35 HIS N N 35 113.017 113.017 113.672 -0.655 19606 649 1 3 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.627 0.151 19606 650 1 3 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.642 -0.105 19606 651 1 3 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.762 0.460 19606 652 1 3 . 1 1 35 35 HIS H H 35 7.662 7.662 7.993 -0.331 19606 653 1 3 . 1 1 36 36 ASN N N 36 119.419 119.419 117.597 1.822 19606 654 1 3 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.456 -0.201 19606 655 1 3 . 1 1 36 36 ASN CA C 36 55.064 55.064 53.994 1.070 19606 656 1 3 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.588 0.615 19606 657 1 3 . 1 1 36 36 ASN H H 36 7.781 7.781 7.917 -0.136 19606 658 1 3 . 1 1 37 37 TYR N N 37 107.213 107.213 112.670 -5.457 19606 659 1 3 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.071 0.138 19606 660 1 3 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.460 1.348 19606 661 1 3 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.242 -2.288 19606 662 1 3 . 1 1 37 37 TYR H H 37 9.103 9.103 8.717 0.386 19606 663 1 3 . 1 1 38 38 ASN N N 38 116.482 116.482 119.220 -2.738 19606 664 1 3 . 1 1 38 38 ASN HA H 38 4.815 4.815 5.000 -0.185 19606 665 1 3 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.459 1.219 19606 666 1 3 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.463 0.018 19606 667 1 3 . 1 1 38 38 ASN H H 38 7.249 7.249 8.005 -0.756 19606 668 1 3 . 1 1 39 39 ILE N N 39 126.777 126.777 125.397 1.380 19606 669 1 3 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.715 0.060 19606 670 1 3 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.103 -0.091 19606 671 1 3 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.270 0.167 19606 672 1 3 . 1 1 39 39 ILE H H 39 8.568 8.568 8.522 0.046 19606 673 1 3 . 1 1 40 40 LEU N N 40 122.044 122.044 118.487 3.557 19606 674 1 3 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.818 0.200 19606 675 1 3 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.134 0.066 19606 676 1 3 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.883 -0.184 19606 677 1 3 . 1 1 40 40 LEU H H 40 7.993 7.993 7.960 0.033 19606 678 1 3 . 1 1 41 41 GLN N N 41 119.421 119.421 116.887 2.534 19606 679 1 3 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.881 -0.125 19606 680 1 3 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.860 0.458 19606 681 1 3 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.900 0.204 19606 682 1 3 . 1 1 41 41 GLN H H 41 7.555 7.555 7.794 -0.239 19606 683 1 3 . 1 1 42 42 VAL N N 42 119.806 119.806 121.783 -1.977 19606 684 1 3 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.649 -0.457 19606 685 1 3 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.962 0.392 19606 686 1 3 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.667 -0.122 19606 687 1 3 . 1 1 42 42 VAL H H 42 7.454 7.454 8.123 -0.669 19606 688 1 3 . 1 1 43 43 VAL N N 43 118.511 118.511 119.285 -0.774 19606 689 1 3 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.546 -0.406 19606 690 1 3 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.115 -0.146 19606 691 1 3 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.170 0.597 19606 692 1 3 . 1 1 43 43 VAL H H 43 8.396 8.396 8.471 -0.075 19606 693 1 3 . 1 1 44 44 THR N N 44 114.155 114.155 115.672 -1.517 19606 694 1 3 . 1 1 44 44 THR HA H 44 3.673 3.673 3.942 -0.269 19606 695 1 3 . 1 1 44 44 THR CA C 44 67.784 67.784 67.546 0.238 19606 696 1 3 . 1 1 44 44 THR CB C 44 68.711 68.711 68.527 0.184 19606 697 1 3 . 1 1 44 44 THR H H 44 7.767 7.767 7.695 0.072 19606 698 1 3 . 1 1 45 45 GLU N N 45 121.134 121.134 122.311 -1.177 19606 699 1 3 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.114 -0.072 19606 700 1 3 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.491 0.744 19606 701 1 3 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.437 -0.835 19606 702 1 3 . 1 1 45 45 GLU H H 45 7.326 7.326 7.587 -0.261 19606 703 1 3 . 1 1 46 46 LEU N N 46 120.965 120.965 120.401 0.564 19606 704 1 3 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.814 -0.064 19606 705 1 3 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.913 0.394 19606 706 1 3 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.480 1.036 19606 707 1 3 . 1 1 46 46 LEU H H 46 8.362 8.362 7.768 0.594 19606 708 1 3 . 1 1 47 47 LEU N N 47 118.138 118.138 119.956 -1.818 19606 709 1 3 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.227 -0.043 19606 710 1 3 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.546 -1.319 19606 711 1 3 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.752 0.365 19606 712 1 3 . 1 1 47 47 LEU H H 47 8.200 8.200 8.110 0.090 19606 713 1 3 . 1 1 48 48 GLN N N 48 118.147 118.147 117.954 0.193 19606 714 1 3 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.978 0.218 19606 715 1 3 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.038 -1.517 19606 716 1 3 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.687 -0.186 19606 717 1 3 . 1 1 48 48 GLN H H 48 7.643 7.643 7.721 -0.078 19606 718 1 3 . 1 1 49 49 LEU N N 49 119.709 119.709 120.920 -1.211 19606 719 1 3 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.216 0.010 19606 720 1 3 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.746 -1.410 19606 721 1 3 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.259 1.074 19606 722 1 3 . 1 1 49 49 LEU H H 49 7.966 7.966 8.651 -0.685 19606 723 1 3 . 1 1 50 50 ASN N N 50 117.058 117.058 116.670 0.388 19606 724 1 3 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.520 0.211 19606 725 1 3 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.442 -1.771 19606 726 1 3 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.821 0.371 19606 727 1 3 . 1 1 50 50 ASN H H 50 7.930 7.930 8.077 -0.147 19606 728 1 3 . 1 1 51 51 ASN N N 51 119.097 119.097 117.411 1.686 19606 729 1 3 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.708 0.098 19606 730 1 3 . 1 1 51 51 ASN CA C 51 53.435 53.435 53.925 -0.490 19606 731 1 3 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.567 -0.392 19606 732 1 3 . 1 1 51 51 ASN H H 51 8.114 8.114 8.092 0.022 19606 733 1 4 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.451 0.278 19606 734 1 4 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.493 -0.342 19606 735 1 4 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.325 0.031 19606 736 1 4 . 1 1 3 3 LEU N N 3 122.408 122.408 120.890 1.518 19606 737 1 4 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.454 -0.098 19606 738 1 4 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.510 -0.078 19606 739 1 4 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.836 -0.522 19606 740 1 4 . 1 1 3 3 LEU H H 3 8.542 8.542 7.530 1.012 19606 741 1 4 . 1 1 4 4 GLY N N 4 109.946 109.946 113.181 -3.235 19606 742 1 4 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.575 0.719 19606 743 1 4 . 1 1 4 4 GLY H H 4 8.406 8.406 8.145 0.261 19606 744 1 4 . 1 1 5 5 SER N N 5 115.532 115.532 115.111 0.421 19606 745 1 4 . 1 1 5 5 SER HA H 5 4.501 4.501 4.700 -0.199 19606 746 1 4 . 1 1 5 5 SER CA C 5 58.036 58.036 57.543 0.493 19606 747 1 4 . 1 1 5 5 SER CB C 5 64.169 64.169 65.046 -0.877 19606 748 1 4 . 1 1 5 5 SER H H 5 8.216 8.216 8.211 0.005 19606 749 1 4 . 1 1 6 6 SER N N 6 117.955 117.955 116.210 1.745 19606 750 1 4 . 1 1 6 6 SER HA H 6 4.420 4.420 4.725 -0.305 19606 751 1 4 . 1 1 6 6 SER CA C 6 58.902 58.902 58.005 0.897 19606 752 1 4 . 1 1 6 6 SER CB C 6 63.798 63.798 64.428 -0.630 19606 753 1 4 . 1 1 6 6 SER H H 6 8.460 8.460 8.346 0.114 19606 754 1 4 . 1 1 7 7 GLU N N 7 122.747 122.747 126.220 -3.473 19606 755 1 4 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.130 -0.105 19606 756 1 4 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.698 -0.630 19606 757 1 4 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.871 -0.118 19606 758 1 4 . 1 1 7 7 GLU H H 7 8.550 8.550 9.004 -0.454 19606 759 1 4 . 1 1 8 8 ASP N N 8 120.868 120.868 119.339 1.529 19606 760 1 4 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.313 0.182 19606 761 1 4 . 1 1 8 8 ASP CA C 8 55.590 55.590 57.041 -1.451 19606 762 1 4 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.402 0.260 19606 763 1 4 . 1 1 8 8 ASP H H 8 8.293 8.293 7.758 0.535 19606 764 1 4 . 1 1 9 9 GLN N N 9 121.706 121.706 118.623 3.083 19606 765 1 4 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.136 0.199 19606 766 1 4 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.780 -1.287 19606 767 1 4 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.367 0.372 19606 768 1 4 . 1 1 9 9 GLN H H 9 8.290 8.290 7.939 0.351 19606 769 1 4 . 1 1 10 10 THR N N 10 115.700 115.700 116.466 -0.766 19606 770 1 4 . 1 1 10 10 THR HA H 10 3.802 3.802 3.714 0.088 19606 771 1 4 . 1 1 10 10 THR CA C 10 67.728 67.728 66.245 1.483 19606 772 1 4 . 1 1 10 10 THR CB C 10 68.615 68.615 68.205 0.410 19606 773 1 4 . 1 1 10 10 THR H H 10 8.193 8.193 7.570 0.623 19606 774 1 4 . 1 1 11 11 ALA N N 11 123.074 123.074 122.307 0.767 19606 775 1 4 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.058 -0.029 19606 776 1 4 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.856 0.829 19606 777 1 4 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.093 -0.128 19606 778 1 4 . 1 1 11 11 ALA H H 11 8.242 8.242 7.537 0.705 19606 779 1 4 . 1 1 12 12 ALA N N 12 121.630 121.630 121.090 0.540 19606 780 1 4 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.063 0.111 19606 781 1 4 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.347 0.615 19606 782 1 4 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.389 -0.180 19606 783 1 4 . 1 1 12 12 ALA H H 12 7.994 7.994 7.518 0.476 19606 784 1 4 . 1 1 13 13 LEU N N 13 118.959 118.959 118.781 0.178 19606 785 1 4 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.366 0.814 19606 786 1 4 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.037 1.047 19606 787 1 4 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.475 0.663 19606 788 1 4 . 1 1 13 13 LEU H H 13 8.084 8.084 7.508 0.576 19606 789 1 4 . 1 1 14 14 MET N N 14 118.344 118.344 116.625 1.719 19606 790 1 4 . 1 1 14 14 MET HA H 14 4.251 4.251 3.564 0.687 19606 791 1 4 . 1 1 14 14 MET CA C 14 57.168 57.168 58.693 -1.525 19606 792 1 4 . 1 1 14 14 MET CB C 14 30.824 30.824 32.089 -1.265 19606 793 1 4 . 1 1 14 14 MET H H 14 8.735 8.735 8.290 0.445 19606 794 1 4 . 1 1 15 15 ALA N N 15 121.078 121.078 120.084 0.994 19606 795 1 4 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.234 -0.102 19606 796 1 4 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.883 0.401 19606 797 1 4 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.970 -0.119 19606 798 1 4 . 1 1 15 15 ALA H H 15 7.934 7.934 7.649 0.285 19606 799 1 4 . 1 1 16 16 HIS N N 16 117.529 117.529 116.813 0.716 19606 800 1 4 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.318 0.222 19606 801 1 4 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.773 1.028 19606 802 1 4 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.131 0.458 19606 803 1 4 . 1 1 16 16 HIS H H 16 7.779 7.779 7.449 0.330 19606 804 1 4 . 1 1 17 17 LEU N N 17 118.416 118.416 118.726 -0.310 19606 805 1 4 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.240 -0.047 19606 806 1 4 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.938 0.725 19606 807 1 4 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.880 -0.845 19606 808 1 4 . 1 1 17 17 LEU H H 17 8.108 8.108 7.110 0.998 19606 809 1 4 . 1 1 18 18 PHE N N 18 120.735 120.735 118.346 2.389 19606 810 1 4 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.177 0.061 19606 811 1 4 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.383 0.758 19606 812 1 4 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.470 1.016 19606 813 1 4 . 1 1 18 18 PHE H H 18 8.671 8.671 7.518 1.153 19606 814 1 4 . 1 1 19 19 GLU N N 19 120.792 120.792 118.299 2.493 19606 815 1 4 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.130 -0.082 19606 816 1 4 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.621 0.374 19606 817 1 4 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.280 0.121 19606 818 1 4 . 1 1 19 19 GLU H H 19 8.274 8.274 7.814 0.460 19606 819 1 4 . 1 1 20 20 MET N N 20 116.057 116.057 116.415 -0.358 19606 820 1 4 . 1 1 20 20 MET HA H 20 4.171 4.171 4.285 -0.114 19606 821 1 4 . 1 1 20 20 MET CA C 20 56.651 56.651 56.842 -0.191 19606 822 1 4 . 1 1 20 20 MET CB C 20 34.798 34.798 33.693 1.105 19606 823 1 4 . 1 1 20 20 MET H H 20 7.428 7.428 8.065 -0.637 19606 824 1 4 . 1 1 21 21 GLY N N 21 104.987 104.987 104.199 0.788 19606 825 1 4 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.854 0.003 19606 826 1 4 . 1 1 21 21 GLY H H 21 7.655 7.655 7.645 0.010 19606 827 1 4 . 1 1 22 22 PHE N N 22 123.944 123.944 120.354 3.590 19606 828 1 4 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.427 0.414 19606 829 1 4 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.193 -3.566 19606 830 1 4 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.995 -2.586 19606 831 1 4 . 1 1 22 22 PHE H H 22 7.893 7.893 7.574 0.319 19606 832 1 4 . 1 1 23 23 CYS N N 23 119.030 119.030 117.475 1.555 19606 833 1 4 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.212 -0.329 19606 834 1 4 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.583 -1.735 19606 835 1 4 . 1 1 23 23 CYS CB C 23 28.368 28.368 25.915 2.453 19606 836 1 4 . 1 1 23 23 CYS H H 23 7.872 7.872 8.697 -0.825 19606 837 1 4 . 1 1 24 24 ASP N N 24 123.683 123.683 119.773 3.910 19606 838 1 4 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.992 -0.260 19606 839 1 4 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.799 -1.239 19606 840 1 4 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.688 -1.380 19606 841 1 4 . 1 1 24 24 ASP H H 24 9.239 9.239 8.569 0.670 19606 842 1 4 . 1 1 25 25 ARG N N 25 124.745 124.745 123.627 1.118 19606 843 1 4 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.213 -0.213 19606 844 1 4 . 1 1 25 25 ARG CA C 25 60.689 60.689 58.852 1.837 19606 845 1 4 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.663 1.586 19606 846 1 4 . 1 1 25 25 ARG H H 25 8.311 8.311 8.673 -0.362 19606 847 1 4 . 1 1 26 26 GLN N N 26 115.947 115.947 118.147 -2.200 19606 848 1 4 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.132 -0.100 19606 849 1 4 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.765 0.399 19606 850 1 4 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.178 0.063 19606 851 1 4 . 1 1 26 26 GLN H H 26 8.305 8.305 8.484 -0.179 19606 852 1 4 . 1 1 27 27 LEU N N 27 124.102 124.102 120.813 3.289 19606 853 1 4 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.983 0.037 19606 854 1 4 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.246 -0.562 19606 855 1 4 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.427 0.208 19606 856 1 4 . 1 1 27 27 LEU H H 27 7.650 7.650 7.633 0.017 19606 857 1 4 . 1 1 28 28 ASN N N 28 117.933 117.933 117.249 0.684 19606 858 1 4 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.301 -0.250 19606 859 1 4 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.904 -0.005 19606 860 1 4 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.820 0.463 19606 861 1 4 . 1 1 28 28 ASN H H 28 8.593 8.593 8.165 0.428 19606 862 1 4 . 1 1 29 29 LEU N N 29 119.088 119.088 121.473 -2.385 19606 863 1 4 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.176 -0.147 19606 864 1 4 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.820 0.407 19606 865 1 4 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.463 0.713 19606 866 1 4 . 1 1 29 29 LEU H H 29 8.255 8.255 7.541 0.714 19606 867 1 4 . 1 1 30 30 ARG N N 30 119.126 119.126 119.649 -0.523 19606 868 1 4 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.122 -0.147 19606 869 1 4 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.580 1.294 19606 870 1 4 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.427 0.712 19606 871 1 4 . 1 1 30 30 ARG H H 30 7.658 7.658 7.931 -0.273 19606 872 1 4 . 1 1 31 31 LEU N N 31 119.791 119.791 120.737 -0.946 19606 873 1 4 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.199 -0.149 19606 874 1 4 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.236 0.355 19606 875 1 4 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.373 1.319 19606 876 1 4 . 1 1 31 31 LEU H H 31 8.557 8.557 8.526 0.031 19606 877 1 4 . 1 1 32 32 LEU N N 32 121.080 121.080 120.159 0.921 19606 878 1 4 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.843 -0.370 19606 879 1 4 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.525 0.044 19606 880 1 4 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.547 -0.327 19606 881 1 4 . 1 1 32 32 LEU H H 32 8.822 8.822 7.981 0.841 19606 882 1 4 . 1 1 33 33 LYS N N 33 116.581 116.581 117.230 -0.649 19606 883 1 4 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.171 -0.548 19606 884 1 4 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.876 0.793 19606 885 1 4 . 1 1 33 33 LYS CB C 33 32.299 32.299 32.081 0.218 19606 886 1 4 . 1 1 33 33 LYS H H 33 7.510 7.510 7.678 -0.168 19606 887 1 4 . 1 1 34 34 LYS N N 34 121.781 121.781 118.512 3.269 19606 888 1 4 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.073 -0.275 19606 889 1 4 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.272 1.037 19606 890 1 4 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.477 1.044 19606 891 1 4 . 1 1 34 34 LYS H H 34 7.915 7.915 7.266 0.649 19606 892 1 4 . 1 1 35 35 HIS N N 35 113.017 113.017 114.726 -1.709 19606 893 1 4 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.656 0.122 19606 894 1 4 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.589 -1.052 19606 895 1 4 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.150 0.072 19606 896 1 4 . 1 1 35 35 HIS H H 35 7.662 7.662 8.066 -0.404 19606 897 1 4 . 1 1 36 36 ASN N N 36 119.419 119.419 116.134 3.285 19606 898 1 4 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.440 -0.185 19606 899 1 4 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.061 1.003 19606 900 1 4 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.148 1.056 19606 901 1 4 . 1 1 36 36 ASN H H 36 7.781 7.781 7.927 -0.146 19606 902 1 4 . 1 1 37 37 TYR N N 37 107.213 107.213 112.316 -5.103 19606 903 1 4 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.077 0.132 19606 904 1 4 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.574 1.234 19606 905 1 4 . 1 1 37 37 TYR CB C 37 33.954 33.954 35.994 -2.040 19606 906 1 4 . 1 1 37 37 TYR H H 37 9.103 9.103 8.845 0.258 19606 907 1 4 . 1 1 38 38 ASN N N 38 116.482 116.482 118.513 -2.031 19606 908 1 4 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.977 -0.162 19606 909 1 4 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.510 1.168 19606 910 1 4 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.903 -0.422 19606 911 1 4 . 1 1 38 38 ASN H H 38 7.249 7.249 7.996 -0.747 19606 912 1 4 . 1 1 39 39 ILE N N 39 126.777 126.777 124.978 1.799 19606 913 1 4 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.656 0.119 19606 914 1 4 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.411 -0.399 19606 915 1 4 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.242 0.195 19606 916 1 4 . 1 1 39 39 ILE H H 39 8.568 8.568 8.467 0.101 19606 917 1 4 . 1 1 40 40 LEU N N 40 122.044 122.044 117.382 4.662 19606 918 1 4 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.840 0.178 19606 919 1 4 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.134 0.066 19606 920 1 4 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.108 -0.409 19606 921 1 4 . 1 1 40 40 LEU H H 40 7.993 7.993 7.983 0.010 19606 922 1 4 . 1 1 41 41 GLN N N 41 119.421 119.421 117.094 2.327 19606 923 1 4 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.894 -0.138 19606 924 1 4 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.078 0.240 19606 925 1 4 . 1 1 41 41 GLN CB C 41 28.104 28.104 28.153 -0.049 19606 926 1 4 . 1 1 41 41 GLN H H 41 7.555 7.555 7.498 0.057 19606 927 1 4 . 1 1 42 42 VAL N N 42 119.806 119.806 121.452 -1.646 19606 928 1 4 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.629 -0.437 19606 929 1 4 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.342 2.012 19606 930 1 4 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.932 0.613 19606 931 1 4 . 1 1 42 42 VAL H H 42 7.454 7.454 8.198 -0.744 19606 932 1 4 . 1 1 43 43 VAL N N 43 118.511 118.511 118.458 0.053 19606 933 1 4 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.584 -0.444 19606 934 1 4 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.935 0.033 19606 935 1 4 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.064 0.703 19606 936 1 4 . 1 1 43 43 VAL H H 43 8.396 8.396 8.474 -0.078 19606 937 1 4 . 1 1 44 44 THR N N 44 114.155 114.155 115.646 -1.491 19606 938 1 4 . 1 1 44 44 THR HA H 44 3.673 3.673 3.953 -0.280 19606 939 1 4 . 1 1 44 44 THR CA C 44 67.784 67.784 67.679 0.105 19606 940 1 4 . 1 1 44 44 THR CB C 44 68.711 68.711 68.483 0.228 19606 941 1 4 . 1 1 44 44 THR H H 44 7.767 7.767 7.560 0.207 19606 942 1 4 . 1 1 45 45 GLU N N 45 121.134 121.134 122.473 -1.339 19606 943 1 4 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.113 -0.071 19606 944 1 4 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.524 0.711 19606 945 1 4 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.664 -1.062 19606 946 1 4 . 1 1 45 45 GLU H H 45 7.326 7.326 7.597 -0.271 19606 947 1 4 . 1 1 46 46 LEU N N 46 120.965 120.965 120.283 0.682 19606 948 1 4 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.795 -0.045 19606 949 1 4 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.775 0.532 19606 950 1 4 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.766 0.750 19606 951 1 4 . 1 1 46 46 LEU H H 46 8.362 8.362 7.762 0.600 19606 952 1 4 . 1 1 47 47 LEU N N 47 118.138 118.138 119.381 -1.243 19606 953 1 4 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.112 0.072 19606 954 1 4 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.498 -1.271 19606 955 1 4 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.392 0.725 19606 956 1 4 . 1 1 47 47 LEU H H 47 8.200 8.200 7.810 0.390 19606 957 1 4 . 1 1 48 48 GLN N N 48 118.147 118.147 118.139 0.008 19606 958 1 4 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.977 0.219 19606 959 1 4 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.008 -1.487 19606 960 1 4 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.735 -0.234 19606 961 1 4 . 1 1 48 48 GLN H H 48 7.643 7.643 7.704 -0.061 19606 962 1 4 . 1 1 49 49 LEU N N 49 119.709 119.709 120.450 -0.741 19606 963 1 4 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.035 0.191 19606 964 1 4 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.648 -1.312 19606 965 1 4 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.846 0.487 19606 966 1 4 . 1 1 49 49 LEU H H 49 7.966 7.966 8.371 -0.405 19606 967 1 4 . 1 1 50 50 ASN N N 50 117.058 117.058 115.385 1.673 19606 968 1 4 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.497 0.234 19606 969 1 4 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.465 -1.794 19606 970 1 4 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.805 0.386 19606 971 1 4 . 1 1 50 50 ASN H H 50 7.930 7.930 8.195 -0.265 19606 972 1 4 . 1 1 51 51 ASN N N 51 119.097 119.097 117.618 1.479 19606 973 1 4 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.584 0.222 19606 974 1 4 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.197 -1.762 19606 975 1 4 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.289 -0.114 19606 976 1 4 . 1 1 51 51 ASN H H 51 8.114 8.114 7.924 0.190 19606 977 1 5 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.486 0.243 19606 978 1 5 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.398 -0.247 19606 979 1 5 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.283 0.074 19606 980 1 5 . 1 1 3 3 LEU N N 3 122.408 122.408 117.888 4.520 19606 981 1 5 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.840 -0.484 19606 982 1 5 . 1 1 3 3 LEU CA C 3 55.432 55.432 56.603 -1.171 19606 983 1 5 . 1 1 3 3 LEU CB C 3 42.314 42.314 43.211 -0.897 19606 984 1 5 . 1 1 3 3 LEU H H 3 8.542 8.542 8.014 0.528 19606 985 1 5 . 1 1 4 4 GLY N N 4 109.946 109.946 107.655 2.291 19606 986 1 5 . 1 1 4 4 GLY CA C 4 45.294 45.294 45.038 0.256 19606 987 1 5 . 1 1 4 4 GLY H H 4 8.406 8.406 7.998 0.408 19606 988 1 5 . 1 1 5 5 SER N N 5 115.532 115.532 116.664 -1.132 19606 989 1 5 . 1 1 5 5 SER HA H 5 4.501 4.501 4.726 -0.225 19606 990 1 5 . 1 1 5 5 SER CA C 5 58.036 58.036 57.618 0.418 19606 991 1 5 . 1 1 5 5 SER CB C 5 64.169 64.169 64.468 -0.299 19606 992 1 5 . 1 1 5 5 SER H H 5 8.216 8.216 8.205 0.011 19606 993 1 5 . 1 1 6 6 SER N N 6 117.955 117.955 119.935 -1.980 19606 994 1 5 . 1 1 6 6 SER HA H 6 4.420 4.420 4.746 -0.326 19606 995 1 5 . 1 1 6 6 SER CA C 6 58.902 58.902 57.368 1.534 19606 996 1 5 . 1 1 6 6 SER CB C 6 63.798 63.798 65.830 -2.032 19606 997 1 5 . 1 1 6 6 SER H H 6 8.460 8.460 8.485 -0.025 19606 998 1 5 . 1 1 7 7 GLU N N 7 122.747 122.747 124.311 -1.564 19606 999 1 5 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.044 -0.019 19606 1000 1 5 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.829 -0.761 19606 1001 1 5 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.645 0.108 19606 1002 1 5 . 1 1 7 7 GLU H H 7 8.550 8.550 9.078 -0.528 19606 1003 1 5 . 1 1 8 8 ASP N N 8 120.868 120.868 118.531 2.337 19606 1004 1 5 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.368 0.127 19606 1005 1 5 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.544 -0.954 19606 1006 1 5 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.546 0.116 19606 1007 1 5 . 1 1 8 8 ASP H H 8 8.293 8.293 8.519 -0.226 19606 1008 1 5 . 1 1 9 9 GLN N N 9 121.706 121.706 118.381 3.325 19606 1009 1 5 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.044 0.291 19606 1010 1 5 . 1 1 9 9 GLN CA C 9 57.493 57.493 59.267 -1.774 19606 1011 1 5 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.669 0.070 19606 1012 1 5 . 1 1 9 9 GLN H H 9 8.290 8.290 7.704 0.586 19606 1013 1 5 . 1 1 10 10 THR N N 10 115.700 115.700 116.683 -0.983 19606 1014 1 5 . 1 1 10 10 THR HA H 10 3.802 3.802 3.769 0.033 19606 1015 1 5 . 1 1 10 10 THR CA C 10 67.728 67.728 66.087 1.641 19606 1016 1 5 . 1 1 10 10 THR CB C 10 68.615 68.615 68.436 0.179 19606 1017 1 5 . 1 1 10 10 THR H H 10 8.193 8.193 7.629 0.564 19606 1018 1 5 . 1 1 11 11 ALA N N 11 123.074 123.074 122.376 0.698 19606 1019 1 5 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.019 0.010 19606 1020 1 5 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.967 0.718 19606 1021 1 5 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.098 -0.133 19606 1022 1 5 . 1 1 11 11 ALA H H 11 8.242 8.242 7.590 0.652 19606 1023 1 5 . 1 1 12 12 ALA N N 12 121.630 121.630 120.754 0.876 19606 1024 1 5 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.054 0.120 19606 1025 1 5 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.343 0.619 19606 1026 1 5 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.355 -0.146 19606 1027 1 5 . 1 1 12 12 ALA H H 12 7.994 7.994 7.447 0.547 19606 1028 1 5 . 1 1 13 13 LEU N N 13 118.959 118.959 118.757 0.202 19606 1029 1 5 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.516 0.664 19606 1030 1 5 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.069 1.015 19606 1031 1 5 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.530 0.608 19606 1032 1 5 . 1 1 13 13 LEU H H 13 8.084 8.084 7.297 0.787 19606 1033 1 5 . 1 1 14 14 MET N N 14 118.344 118.344 115.984 2.360 19606 1034 1 5 . 1 1 14 14 MET HA H 14 4.251 4.251 3.618 0.633 19606 1035 1 5 . 1 1 14 14 MET CA C 14 57.168 57.168 57.899 -0.731 19606 1036 1 5 . 1 1 14 14 MET CB C 14 30.824 30.824 31.506 -0.682 19606 1037 1 5 . 1 1 14 14 MET H H 14 8.735 8.735 8.309 0.426 19606 1038 1 5 . 1 1 15 15 ALA N N 15 121.078 121.078 120.475 0.603 19606 1039 1 5 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.211 -0.079 19606 1040 1 5 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.984 0.300 19606 1041 1 5 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.998 -0.147 19606 1042 1 5 . 1 1 15 15 ALA H H 15 7.934 7.934 7.682 0.252 19606 1043 1 5 . 1 1 16 16 HIS N N 16 117.529 117.529 116.424 1.105 19606 1044 1 5 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.464 0.076 19606 1045 1 5 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.887 0.914 19606 1046 1 5 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.201 0.388 19606 1047 1 5 . 1 1 16 16 HIS H H 16 7.779 7.779 7.403 0.376 19606 1048 1 5 . 1 1 17 17 LEU N N 17 118.416 118.416 118.791 -0.375 19606 1049 1 5 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.245 -0.052 19606 1050 1 5 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.901 0.762 19606 1051 1 5 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.946 -0.910 19606 1052 1 5 . 1 1 17 17 LEU H H 17 8.108 8.108 7.190 0.918 19606 1053 1 5 . 1 1 18 18 PHE N N 18 120.735 120.735 118.478 2.257 19606 1054 1 5 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.162 0.076 19606 1055 1 5 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.570 0.571 19606 1056 1 5 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.497 0.989 19606 1057 1 5 . 1 1 18 18 PHE H H 18 8.671 8.671 7.727 0.944 19606 1058 1 5 . 1 1 19 19 GLU N N 19 120.792 120.792 118.330 2.462 19606 1059 1 5 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.095 -0.047 19606 1060 1 5 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.660 0.335 19606 1061 1 5 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.481 -0.080 19606 1062 1 5 . 1 1 19 19 GLU H H 19 8.274 8.274 7.778 0.496 19606 1063 1 5 . 1 1 20 20 MET N N 20 116.057 116.057 116.494 -0.437 19606 1064 1 5 . 1 1 20 20 MET HA H 20 4.171 4.171 4.311 -0.140 19606 1065 1 5 . 1 1 20 20 MET CA C 20 56.651 56.651 55.879 0.772 19606 1066 1 5 . 1 1 20 20 MET CB C 20 34.798 34.798 33.302 1.496 19606 1067 1 5 . 1 1 20 20 MET H H 20 7.428 7.428 8.013 -0.585 19606 1068 1 5 . 1 1 21 21 GLY N N 21 104.987 104.987 104.394 0.593 19606 1069 1 5 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.865 -0.008 19606 1070 1 5 . 1 1 21 21 GLY H H 21 7.655 7.655 7.727 -0.072 19606 1071 1 5 . 1 1 22 22 PHE N N 22 123.944 123.944 120.447 3.497 19606 1072 1 5 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.477 0.364 19606 1073 1 5 . 1 1 22 22 PHE CA C 22 56.627 56.627 59.932 -3.305 19606 1074 1 5 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.997 -2.588 19606 1075 1 5 . 1 1 22 22 PHE H H 22 7.893 7.893 7.433 0.460 19606 1076 1 5 . 1 1 23 23 CYS N N 23 119.030 119.030 117.788 1.242 19606 1077 1 5 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.185 -0.302 19606 1078 1 5 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.904 -2.056 19606 1079 1 5 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.316 2.052 19606 1080 1 5 . 1 1 23 23 CYS H H 23 7.872 7.872 8.741 -0.869 19606 1081 1 5 . 1 1 24 24 ASP N N 24 123.683 123.683 121.189 2.494 19606 1082 1 5 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.954 -0.222 19606 1083 1 5 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.925 -1.365 19606 1084 1 5 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.660 -1.351 19606 1085 1 5 . 1 1 24 24 ASP H H 24 9.239 9.239 8.596 0.643 19606 1086 1 5 . 1 1 25 25 ARG N N 25 124.745 124.745 122.555 2.190 19606 1087 1 5 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.250 -0.250 19606 1088 1 5 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.317 1.372 19606 1089 1 5 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.723 1.526 19606 1090 1 5 . 1 1 25 25 ARG H H 25 8.311 8.311 8.705 -0.394 19606 1091 1 5 . 1 1 26 26 GLN N N 26 115.947 115.947 119.494 -3.547 19606 1092 1 5 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.146 -0.114 19606 1093 1 5 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.564 0.600 19606 1094 1 5 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.916 0.325 19606 1095 1 5 . 1 1 26 26 GLN H H 26 8.305 8.305 8.217 0.088 19606 1096 1 5 . 1 1 27 27 LEU N N 27 124.102 124.102 121.458 2.644 19606 1097 1 5 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.951 0.069 19606 1098 1 5 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.128 -0.444 19606 1099 1 5 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.271 0.364 19606 1100 1 5 . 1 1 27 27 LEU H H 27 7.650 7.650 7.617 0.033 19606 1101 1 5 . 1 1 28 28 ASN N N 28 117.933 117.933 116.697 1.236 19606 1102 1 5 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.288 -0.237 19606 1103 1 5 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.983 -0.084 19606 1104 1 5 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.991 0.292 19606 1105 1 5 . 1 1 28 28 ASN H H 28 8.593 8.593 8.060 0.533 19606 1106 1 5 . 1 1 29 29 LEU N N 29 119.088 119.088 121.805 -2.717 19606 1107 1 5 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.172 -0.143 19606 1108 1 5 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.767 0.460 19606 1109 1 5 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.460 0.716 19606 1110 1 5 . 1 1 29 29 LEU H H 29 8.255 8.255 7.477 0.778 19606 1111 1 5 . 1 1 30 30 ARG N N 30 119.126 119.126 119.604 -0.478 19606 1112 1 5 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.112 -0.137 19606 1113 1 5 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.547 1.327 19606 1114 1 5 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.442 0.697 19606 1115 1 5 . 1 1 30 30 ARG H H 30 7.658 7.658 8.047 -0.389 19606 1116 1 5 . 1 1 31 31 LEU N N 31 119.791 119.791 120.762 -0.971 19606 1117 1 5 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.114 -0.064 19606 1118 1 5 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.028 0.563 19606 1119 1 5 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.334 1.358 19606 1120 1 5 . 1 1 31 31 LEU H H 31 8.557 8.557 8.468 0.089 19606 1121 1 5 . 1 1 32 32 LEU N N 32 121.080 121.080 120.107 0.973 19606 1122 1 5 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.819 -0.346 19606 1123 1 5 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.496 0.073 19606 1124 1 5 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.506 -0.286 19606 1125 1 5 . 1 1 32 32 LEU H H 32 8.822 8.822 8.007 0.815 19606 1126 1 5 . 1 1 33 33 LYS N N 33 116.581 116.581 116.543 0.038 19606 1127 1 5 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.162 -0.539 19606 1128 1 5 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.753 0.916 19606 1129 1 5 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.884 0.415 19606 1130 1 5 . 1 1 33 33 LYS H H 33 7.510 7.510 7.640 -0.130 19606 1131 1 5 . 1 1 34 34 LYS N N 34 121.781 121.781 118.414 3.367 19606 1132 1 5 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.070 -0.272 19606 1133 1 5 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.233 1.076 19606 1134 1 5 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.443 1.078 19606 1135 1 5 . 1 1 34 34 LYS H H 34 7.915 7.915 7.426 0.489 19606 1136 1 5 . 1 1 35 35 HIS N N 35 113.017 113.017 114.399 -1.382 19606 1137 1 5 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.701 0.077 19606 1138 1 5 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.031 -0.494 19606 1139 1 5 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.746 -0.524 19606 1140 1 5 . 1 1 35 35 HIS H H 35 7.662 7.662 8.114 -0.452 19606 1141 1 5 . 1 1 36 36 ASN N N 36 119.419 119.419 116.383 3.036 19606 1142 1 5 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.434 -0.179 19606 1143 1 5 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.262 0.802 19606 1144 1 5 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.859 1.344 19606 1145 1 5 . 1 1 36 36 ASN H H 36 7.781 7.781 7.971 -0.190 19606 1146 1 5 . 1 1 37 37 TYR N N 37 107.213 107.213 113.224 -6.011 19606 1147 1 5 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.062 0.147 19606 1148 1 5 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.725 1.083 19606 1149 1 5 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.023 -2.069 19606 1150 1 5 . 1 1 37 37 TYR H H 37 9.103 9.103 8.886 0.217 19606 1151 1 5 . 1 1 38 38 ASN N N 38 116.482 116.482 118.528 -2.046 19606 1152 1 5 . 1 1 38 38 ASN HA H 38 4.815 4.815 5.000 -0.185 19606 1153 1 5 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.609 1.069 19606 1154 1 5 . 1 1 38 38 ASN CB C 38 38.481 38.481 39.042 -0.561 19606 1155 1 5 . 1 1 38 38 ASN H H 38 7.249 7.249 7.992 -0.743 19606 1156 1 5 . 1 1 39 39 ILE N N 39 126.777 126.777 125.314 1.463 19606 1157 1 5 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.684 0.091 19606 1158 1 5 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.405 -0.393 19606 1159 1 5 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.280 0.157 19606 1160 1 5 . 1 1 39 39 ILE H H 39 8.568 8.568 8.545 0.023 19606 1161 1 5 . 1 1 40 40 LEU N N 40 122.044 122.044 117.690 4.354 19606 1162 1 5 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.868 0.150 19606 1163 1 5 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.185 0.015 19606 1164 1 5 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.032 -0.334 19606 1165 1 5 . 1 1 40 40 LEU H H 40 7.993 7.993 7.975 0.018 19606 1166 1 5 . 1 1 41 41 GLN N N 41 119.421 119.421 116.111 3.310 19606 1167 1 5 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.868 -0.112 19606 1168 1 5 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.725 0.593 19606 1169 1 5 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.641 0.463 19606 1170 1 5 . 1 1 41 41 GLN H H 41 7.555 7.555 7.524 0.031 19606 1171 1 5 . 1 1 42 42 VAL N N 42 119.806 119.806 121.188 -1.382 19606 1172 1 5 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.693 -0.501 19606 1173 1 5 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.583 0.771 19606 1174 1 5 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.471 0.073 19606 1175 1 5 . 1 1 42 42 VAL H H 42 7.454 7.454 8.210 -0.756 19606 1176 1 5 . 1 1 43 43 VAL N N 43 118.511 118.511 119.150 -0.639 19606 1177 1 5 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.643 -0.503 19606 1178 1 5 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.809 0.159 19606 1179 1 5 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.670 1.097 19606 1180 1 5 . 1 1 43 43 VAL H H 43 8.396 8.396 8.646 -0.250 19606 1181 1 5 . 1 1 44 44 THR N N 44 114.155 114.155 115.333 -1.178 19606 1182 1 5 . 1 1 44 44 THR HA H 44 3.673 3.673 3.939 -0.267 19606 1183 1 5 . 1 1 44 44 THR CA C 44 67.784 67.784 67.066 0.718 19606 1184 1 5 . 1 1 44 44 THR CB C 44 68.711 68.711 68.239 0.472 19606 1185 1 5 . 1 1 44 44 THR H H 44 7.767 7.767 7.658 0.109 19606 1186 1 5 . 1 1 45 45 GLU N N 45 121.134 121.134 122.444 -1.310 19606 1187 1 5 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.132 -0.090 19606 1188 1 5 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.495 0.741 19606 1189 1 5 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.302 -0.700 19606 1190 1 5 . 1 1 45 45 GLU H H 45 7.326 7.326 7.599 -0.273 19606 1191 1 5 . 1 1 46 46 LEU N N 46 120.965 120.965 120.529 0.436 19606 1192 1 5 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.796 -0.046 19606 1193 1 5 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.968 0.339 19606 1194 1 5 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.651 0.865 19606 1195 1 5 . 1 1 46 46 LEU H H 46 8.362 8.362 7.805 0.557 19606 1196 1 5 . 1 1 47 47 LEU N N 47 118.138 118.138 119.895 -1.757 19606 1197 1 5 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.201 -0.017 19606 1198 1 5 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.034 -0.807 19606 1199 1 5 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.628 0.489 19606 1200 1 5 . 1 1 47 47 LEU H H 47 8.200 8.200 8.285 -0.085 19606 1201 1 5 . 1 1 48 48 GLN N N 48 118.147 118.147 118.097 0.050 19606 1202 1 5 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.014 0.182 19606 1203 1 5 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.273 -0.752 19606 1204 1 5 . 1 1 48 48 GLN CB C 48 28.501 28.501 29.088 -0.587 19606 1205 1 5 . 1 1 48 48 GLN H H 48 7.643 7.643 7.810 -0.167 19606 1206 1 5 . 1 1 49 49 LEU N N 49 119.709 119.709 120.016 -0.307 19606 1207 1 5 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.071 0.155 19606 1208 1 5 . 1 1 49 49 LEU CA C 49 56.336 56.336 56.566 -0.230 19606 1209 1 5 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.433 -0.100 19606 1210 1 5 . 1 1 49 49 LEU H H 49 7.966 7.966 8.356 -0.390 19606 1211 1 5 . 1 1 50 50 ASN N N 50 117.058 117.058 115.511 1.547 19606 1212 1 5 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.462 0.269 19606 1213 1 5 . 1 1 50 50 ASN CA C 50 53.671 53.671 54.052 -0.381 19606 1214 1 5 . 1 1 50 50 ASN CB C 50 39.191 39.191 37.210 1.981 19606 1215 1 5 . 1 1 50 50 ASN H H 50 7.930 7.930 8.186 -0.256 19606 1216 1 5 . 1 1 51 51 ASN N N 51 119.097 119.097 116.635 2.462 19606 1217 1 5 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.348 0.458 19606 1218 1 5 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.496 -2.061 19606 1219 1 5 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.679 0.495 19606 1220 1 5 . 1 1 51 51 ASN H H 51 8.114 8.114 8.773 -0.659 19606 1221 1 6 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.456 0.273 19606 1222 1 6 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.121 0.030 19606 1223 1 6 . 1 1 2 2 PRO CB C 2 32.357 32.357 31.210 1.147 19606 1224 1 6 . 1 1 3 3 LEU N N 3 122.408 122.408 121.611 0.797 19606 1225 1 6 . 1 1 3 3 LEU HA H 3 4.356 4.356 3.995 0.361 19606 1226 1 6 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.506 -0.074 19606 1227 1 6 . 1 1 3 3 LEU CB C 3 42.314 42.314 39.873 2.441 19606 1228 1 6 . 1 1 3 3 LEU H H 3 8.542 8.542 8.288 0.254 19606 1229 1 6 . 1 1 4 4 GLY N N 4 109.946 109.946 106.578 3.368 19606 1230 1 6 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.825 0.469 19606 1231 1 6 . 1 1 4 4 GLY H H 4 8.406 8.406 7.673 0.733 19606 1232 1 6 . 1 1 5 5 SER N N 5 115.532 115.532 118.238 -2.706 19606 1233 1 6 . 1 1 5 5 SER HA H 5 4.501 4.501 4.533 -0.032 19606 1234 1 6 . 1 1 5 5 SER CA C 5 58.036 58.036 58.261 -0.225 19606 1235 1 6 . 1 1 5 5 SER CB C 5 64.169 64.169 63.953 0.216 19606 1236 1 6 . 1 1 5 5 SER H H 5 8.216 8.216 8.337 -0.121 19606 1237 1 6 . 1 1 6 6 SER N N 6 117.955 117.955 115.704 2.251 19606 1238 1 6 . 1 1 6 6 SER HA H 6 4.420 4.420 4.704 -0.284 19606 1239 1 6 . 1 1 6 6 SER CA C 6 58.902 58.902 57.962 0.940 19606 1240 1 6 . 1 1 6 6 SER CB C 6 63.798 63.798 65.672 -1.874 19606 1241 1 6 . 1 1 6 6 SER H H 6 8.460 8.460 8.275 0.185 19606 1242 1 6 . 1 1 7 7 GLU N N 7 122.747 122.747 122.136 0.611 19606 1243 1 6 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.233 -0.208 19606 1244 1 6 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.556 -0.487 19606 1245 1 6 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.917 -0.164 19606 1246 1 6 . 1 1 7 7 GLU H H 7 8.550 8.550 9.013 -0.463 19606 1247 1 6 . 1 1 8 8 ASP N N 8 120.868 120.868 119.505 1.363 19606 1248 1 6 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.363 0.132 19606 1249 1 6 . 1 1 8 8 ASP CA C 8 55.590 55.590 57.438 -1.849 19606 1250 1 6 . 1 1 8 8 ASP CB C 8 40.662 40.662 39.808 0.854 19606 1251 1 6 . 1 1 8 8 ASP H H 8 8.293 8.293 8.635 -0.342 19606 1252 1 6 . 1 1 9 9 GLN N N 9 121.706 121.706 117.453 4.253 19606 1253 1 6 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.018 0.317 19606 1254 1 6 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.605 -1.112 19606 1255 1 6 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.144 0.595 19606 1256 1 6 . 1 1 9 9 GLN H H 9 8.290 8.290 8.544 -0.254 19606 1257 1 6 . 1 1 10 10 THR N N 10 115.700 115.700 116.379 -0.679 19606 1258 1 6 . 1 1 10 10 THR HA H 10 3.802 3.802 3.795 0.007 19606 1259 1 6 . 1 1 10 10 THR CA C 10 67.728 67.728 66.248 1.480 19606 1260 1 6 . 1 1 10 10 THR CB C 10 68.615 68.615 68.438 0.177 19606 1261 1 6 . 1 1 10 10 THR H H 10 8.193 8.193 7.747 0.446 19606 1262 1 6 . 1 1 11 11 ALA N N 11 123.074 123.074 122.816 0.258 19606 1263 1 6 . 1 1 11 11 ALA HA H 11 4.029 4.029 3.938 0.091 19606 1264 1 6 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.648 1.037 19606 1265 1 6 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.969 -0.004 19606 1266 1 6 . 1 1 11 11 ALA H H 11 8.242 8.242 7.701 0.541 19606 1267 1 6 . 1 1 12 12 ALA N N 12 121.630 121.630 121.017 0.613 19606 1268 1 6 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.058 0.116 19606 1269 1 6 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.300 0.662 19606 1270 1 6 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.347 -0.138 19606 1271 1 6 . 1 1 12 12 ALA H H 12 7.994 7.994 7.520 0.474 19606 1272 1 6 . 1 1 13 13 LEU N N 13 118.959 118.959 119.007 -0.048 19606 1273 1 6 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.426 0.754 19606 1274 1 6 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.186 0.898 19606 1275 1 6 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.402 0.736 19606 1276 1 6 . 1 1 13 13 LEU H H 13 8.084 8.084 7.397 0.687 19606 1277 1 6 . 1 1 14 14 MET N N 14 118.344 118.344 115.516 2.828 19606 1278 1 6 . 1 1 14 14 MET HA H 14 4.251 4.251 3.546 0.705 19606 1279 1 6 . 1 1 14 14 MET CA C 14 57.168 57.168 58.535 -1.367 19606 1280 1 6 . 1 1 14 14 MET CB C 14 30.824 30.824 31.771 -0.947 19606 1281 1 6 . 1 1 14 14 MET H H 14 8.735 8.735 7.859 0.876 19606 1282 1 6 . 1 1 15 15 ALA N N 15 121.078 121.078 120.574 0.504 19606 1283 1 6 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.159 -0.027 19606 1284 1 6 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.958 0.326 19606 1285 1 6 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.896 -0.045 19606 1286 1 6 . 1 1 15 15 ALA H H 15 7.934 7.934 7.571 0.363 19606 1287 1 6 . 1 1 16 16 HIS N N 16 117.529 117.529 116.388 1.141 19606 1288 1 6 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.584 -0.044 19606 1289 1 6 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.519 1.282 19606 1290 1 6 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.047 0.542 19606 1291 1 6 . 1 1 16 16 HIS H H 16 7.779 7.779 7.432 0.347 19606 1292 1 6 . 1 1 17 17 LEU N N 17 118.416 118.416 118.573 -0.157 19606 1293 1 6 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.244 -0.051 19606 1294 1 6 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.924 0.739 19606 1295 1 6 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.705 -0.669 19606 1296 1 6 . 1 1 17 17 LEU H H 17 8.108 8.108 7.053 1.055 19606 1297 1 6 . 1 1 18 18 PHE N N 18 120.735 120.735 118.491 2.244 19606 1298 1 6 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.230 0.008 19606 1299 1 6 . 1 1 18 18 PHE CA C 18 60.141 60.141 58.989 1.151 19606 1300 1 6 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.389 1.097 19606 1301 1 6 . 1 1 18 18 PHE H H 18 8.671 8.671 7.653 1.018 19606 1302 1 6 . 1 1 19 19 GLU N N 19 120.792 120.792 118.419 2.373 19606 1303 1 6 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.110 -0.062 19606 1304 1 6 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.622 0.373 19606 1305 1 6 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.417 -0.016 19606 1306 1 6 . 1 1 19 19 GLU H H 19 8.274 8.274 7.884 0.390 19606 1307 1 6 . 1 1 20 20 MET N N 20 116.057 116.057 116.470 -0.413 19606 1308 1 6 . 1 1 20 20 MET HA H 20 4.171 4.171 4.301 -0.130 19606 1309 1 6 . 1 1 20 20 MET CA C 20 56.651 56.651 56.877 -0.226 19606 1310 1 6 . 1 1 20 20 MET CB C 20 34.798 34.798 33.741 1.057 19606 1311 1 6 . 1 1 20 20 MET H H 20 7.428 7.428 8.135 -0.707 19606 1312 1 6 . 1 1 21 21 GLY N N 21 104.987 104.987 103.784 1.203 19606 1313 1 6 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.860 -0.003 19606 1314 1 6 . 1 1 21 21 GLY H H 21 7.655 7.655 7.697 -0.042 19606 1315 1 6 . 1 1 22 22 PHE N N 22 123.944 123.944 120.379 3.565 19606 1316 1 6 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.268 0.573 19606 1317 1 6 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.244 -4.617 19606 1318 1 6 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.513 -2.104 19606 1319 1 6 . 1 1 22 22 PHE H H 22 7.893 7.893 7.506 0.387 19606 1320 1 6 . 1 1 23 23 CYS N N 23 119.030 119.030 112.572 6.458 19606 1321 1 6 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.202 -0.319 19606 1322 1 6 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.936 -2.088 19606 1323 1 6 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.161 2.207 19606 1324 1 6 . 1 1 23 23 CYS H H 23 7.872 7.872 8.974 -1.102 19606 1325 1 6 . 1 1 24 24 ASP N N 24 123.683 123.683 120.718 2.965 19606 1326 1 6 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.923 -0.191 19606 1327 1 6 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.518 -0.958 19606 1328 1 6 . 1 1 24 24 ASP CB C 24 40.308 40.308 40.150 0.158 19606 1329 1 6 . 1 1 24 24 ASP H H 24 9.239 9.239 8.682 0.557 19606 1330 1 6 . 1 1 25 25 ARG N N 25 124.745 124.745 123.231 1.514 19606 1331 1 6 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.148 -0.148 19606 1332 1 6 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.437 1.252 19606 1333 1 6 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.590 1.659 19606 1334 1 6 . 1 1 25 25 ARG H H 25 8.311 8.311 8.343 -0.032 19606 1335 1 6 . 1 1 26 26 GLN N N 26 115.947 115.947 119.453 -3.506 19606 1336 1 6 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.141 -0.109 19606 1337 1 6 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.536 0.628 19606 1338 1 6 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.929 0.312 19606 1339 1 6 . 1 1 26 26 GLN H H 26 8.305 8.305 8.253 0.052 19606 1340 1 6 . 1 1 27 27 LEU N N 27 124.102 124.102 121.424 2.678 19606 1341 1 6 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.956 0.064 19606 1342 1 6 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.090 -0.406 19606 1343 1 6 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.270 0.365 19606 1344 1 6 . 1 1 27 27 LEU H H 27 7.650 7.650 7.607 0.043 19606 1345 1 6 . 1 1 28 28 ASN N N 28 117.933 117.933 116.728 1.205 19606 1346 1 6 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.264 -0.213 19606 1347 1 6 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.946 -0.047 19606 1348 1 6 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.943 0.340 19606 1349 1 6 . 1 1 28 28 ASN H H 28 8.593 8.593 8.144 0.449 19606 1350 1 6 . 1 1 29 29 LEU N N 29 119.088 119.088 121.542 -2.454 19606 1351 1 6 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.157 -0.128 19606 1352 1 6 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.817 0.410 19606 1353 1 6 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.450 0.726 19606 1354 1 6 . 1 1 29 29 LEU H H 29 8.255 8.255 7.496 0.759 19606 1355 1 6 . 1 1 30 30 ARG N N 30 119.126 119.126 119.566 -0.440 19606 1356 1 6 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.112 -0.137 19606 1357 1 6 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.553 1.321 19606 1358 1 6 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.425 0.714 19606 1359 1 6 . 1 1 30 30 ARG H H 30 7.658 7.658 7.964 -0.306 19606 1360 1 6 . 1 1 31 31 LEU N N 31 119.791 119.791 120.729 -0.938 19606 1361 1 6 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.113 -0.063 19606 1362 1 6 . 1 1 31 31 LEU CA C 31 57.591 57.591 56.961 0.630 19606 1363 1 6 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.385 1.307 19606 1364 1 6 . 1 1 31 31 LEU H H 31 8.557 8.557 8.497 0.060 19606 1365 1 6 . 1 1 32 32 LEU N N 32 121.080 121.080 120.235 0.845 19606 1366 1 6 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.794 -0.321 19606 1367 1 6 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.519 0.050 19606 1368 1 6 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.462 -0.242 19606 1369 1 6 . 1 1 32 32 LEU H H 32 8.822 8.822 7.933 0.889 19606 1370 1 6 . 1 1 33 33 LYS N N 33 116.581 116.581 117.474 -0.893 19606 1371 1 6 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.142 -0.519 19606 1372 1 6 . 1 1 33 33 LYS CA C 33 59.669 59.669 59.150 0.519 19606 1373 1 6 . 1 1 33 33 LYS CB C 33 32.299 32.299 32.045 0.254 19606 1374 1 6 . 1 1 33 33 LYS H H 33 7.510 7.510 7.576 -0.066 19606 1375 1 6 . 1 1 34 34 LYS N N 34 121.781 121.781 118.666 3.115 19606 1376 1 6 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.074 -0.276 19606 1377 1 6 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.213 1.096 19606 1378 1 6 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.230 1.291 19606 1379 1 6 . 1 1 34 34 LYS H H 34 7.915 7.915 7.197 0.718 19606 1380 1 6 . 1 1 35 35 HIS N N 35 113.017 113.017 114.860 -1.843 19606 1381 1 6 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.676 0.102 19606 1382 1 6 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.931 -1.394 19606 1383 1 6 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.999 0.223 19606 1384 1 6 . 1 1 35 35 HIS H H 35 7.662 7.662 8.157 -0.495 19606 1385 1 6 . 1 1 36 36 ASN N N 36 119.419 119.419 114.382 5.037 19606 1386 1 6 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.554 -0.299 19606 1387 1 6 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.056 1.008 19606 1388 1 6 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.449 0.754 19606 1389 1 6 . 1 1 36 36 ASN H H 36 7.781 7.781 8.112 -0.331 19606 1390 1 6 . 1 1 37 37 TYR N N 37 107.213 107.213 111.553 -4.340 19606 1391 1 6 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.037 0.172 19606 1392 1 6 . 1 1 37 37 TYR CA C 37 60.808 60.808 60.100 0.708 19606 1393 1 6 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.047 -2.093 19606 1394 1 6 . 1 1 37 37 TYR H H 37 9.103 9.103 8.681 0.422 19606 1395 1 6 . 1 1 38 38 ASN N N 38 116.482 116.482 118.971 -2.489 19606 1396 1 6 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.960 -0.145 19606 1397 1 6 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.256 1.422 19606 1398 1 6 . 1 1 38 38 ASN CB C 38 38.481 38.481 39.385 -0.904 19606 1399 1 6 . 1 1 38 38 ASN H H 38 7.249 7.249 7.973 -0.724 19606 1400 1 6 . 1 1 39 39 ILE N N 39 126.777 126.777 125.565 1.212 19606 1401 1 6 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.668 0.107 19606 1402 1 6 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.528 -0.515 19606 1403 1 6 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.278 0.159 19606 1404 1 6 . 1 1 39 39 ILE H H 39 8.568 8.568 8.620 -0.052 19606 1405 1 6 . 1 1 40 40 LEU N N 40 122.044 122.044 117.426 4.618 19606 1406 1 6 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.828 0.190 19606 1407 1 6 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.107 0.093 19606 1408 1 6 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.136 -0.437 19606 1409 1 6 . 1 1 40 40 LEU H H 40 7.993 7.993 7.962 0.031 19606 1410 1 6 . 1 1 41 41 GLN N N 41 119.421 119.421 116.517 2.904 19606 1411 1 6 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.798 -0.042 19606 1412 1 6 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.116 0.202 19606 1413 1 6 . 1 1 41 41 GLN CB C 41 28.104 28.104 28.063 0.041 19606 1414 1 6 . 1 1 41 41 GLN H H 41 7.555 7.555 7.473 0.082 19606 1415 1 6 . 1 1 42 42 VAL N N 42 119.806 119.806 121.242 -1.436 19606 1416 1 6 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.831 -0.639 19606 1417 1 6 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.577 1.777 19606 1418 1 6 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.089 0.456 19606 1419 1 6 . 1 1 42 42 VAL H H 42 7.454 7.454 8.241 -0.787 19606 1420 1 6 . 1 1 43 43 VAL N N 43 118.511 118.511 118.688 -0.177 19606 1421 1 6 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.555 -0.415 19606 1422 1 6 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.123 -0.155 19606 1423 1 6 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.241 0.526 19606 1424 1 6 . 1 1 43 43 VAL H H 43 8.396 8.396 8.468 -0.072 19606 1425 1 6 . 1 1 44 44 THR N N 44 114.155 114.155 116.800 -2.645 19606 1426 1 6 . 1 1 44 44 THR HA H 44 3.673 3.673 3.921 -0.248 19606 1427 1 6 . 1 1 44 44 THR CA C 44 67.784 67.784 68.042 -0.258 19606 1428 1 6 . 1 1 44 44 THR CB C 44 68.711 68.711 68.600 0.111 19606 1429 1 6 . 1 1 44 44 THR H H 44 7.767 7.767 7.556 0.211 19606 1430 1 6 . 1 1 45 45 GLU N N 45 121.134 121.134 122.146 -1.012 19606 1431 1 6 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.133 -0.091 19606 1432 1 6 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.535 0.700 19606 1433 1 6 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.458 -0.856 19606 1434 1 6 . 1 1 45 45 GLU H H 45 7.326 7.326 7.732 -0.406 19606 1435 1 6 . 1 1 46 46 LEU N N 46 120.965 120.965 119.955 1.010 19606 1436 1 6 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.809 -0.059 19606 1437 1 6 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.708 0.599 19606 1438 1 6 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.931 0.585 19606 1439 1 6 . 1 1 46 46 LEU H H 46 8.362 8.362 7.733 0.629 19606 1440 1 6 . 1 1 47 47 LEU N N 47 118.138 118.138 118.836 -0.698 19606 1441 1 6 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.121 0.063 19606 1442 1 6 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.408 -1.181 19606 1443 1 6 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.581 0.536 19606 1444 1 6 . 1 1 47 47 LEU H H 47 8.200 8.200 8.265 -0.065 19606 1445 1 6 . 1 1 48 48 GLN N N 48 118.147 118.147 118.736 -0.589 19606 1446 1 6 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.198 -0.002 19606 1447 1 6 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.747 -1.226 19606 1448 1 6 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.800 -0.299 19606 1449 1 6 . 1 1 48 48 GLN H H 48 7.643 7.643 8.111 -0.468 19606 1450 1 6 . 1 1 49 49 LEU N N 49 119.709 119.709 119.170 0.539 19606 1451 1 6 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.216 0.010 19606 1452 1 6 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.291 -0.956 19606 1453 1 6 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.136 0.197 19606 1454 1 6 . 1 1 49 49 LEU H H 49 7.966 7.966 8.535 -0.569 19606 1455 1 6 . 1 1 50 50 ASN N N 50 117.058 117.058 116.146 0.912 19606 1456 1 6 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.803 -0.072 19606 1457 1 6 . 1 1 50 50 ASN CA C 50 53.671 53.671 52.547 1.124 19606 1458 1 6 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.759 0.432 19606 1459 1 6 . 1 1 50 50 ASN H H 50 7.930 7.930 7.771 0.159 19606 1460 1 6 . 1 1 51 51 ASN N N 51 119.097 119.097 115.626 3.471 19606 1461 1 6 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.335 0.471 19606 1462 1 6 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.897 -1.462 19606 1463 1 6 . 1 1 51 51 ASN CB C 51 39.175 39.175 36.644 2.531 19606 1464 1 6 . 1 1 51 51 ASN H H 51 8.114 8.114 8.232 -0.118 19606 1465 1 7 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.699 0.030 19606 1466 1 7 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.498 0.653 19606 1467 1 7 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.819 -0.462 19606 1468 1 7 . 1 1 3 3 LEU N N 3 122.408 122.408 122.502 -0.094 19606 1469 1 7 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.359 -0.003 19606 1470 1 7 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.129 0.303 19606 1471 1 7 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.476 -0.162 19606 1472 1 7 . 1 1 3 3 LEU H H 3 8.542 8.542 8.372 0.170 19606 1473 1 7 . 1 1 4 4 GLY N N 4 109.946 109.946 104.087 5.859 19606 1474 1 7 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.315 0.979 19606 1475 1 7 . 1 1 4 4 GLY H H 4 8.406 8.406 7.762 0.644 19606 1476 1 7 . 1 1 5 5 SER N N 5 115.532 115.532 115.681 -0.149 19606 1477 1 7 . 1 1 5 5 SER HA H 5 4.501 4.501 4.636 -0.135 19606 1478 1 7 . 1 1 5 5 SER CA C 5 58.036 58.036 57.632 0.404 19606 1479 1 7 . 1 1 5 5 SER CB C 5 64.169 64.169 64.721 -0.552 19606 1480 1 7 . 1 1 5 5 SER H H 5 8.216 8.216 8.244 -0.028 19606 1481 1 7 . 1 1 6 6 SER N N 6 117.955 117.955 116.162 1.793 19606 1482 1 7 . 1 1 6 6 SER HA H 6 4.420 4.420 4.301 0.119 19606 1483 1 7 . 1 1 6 6 SER CA C 6 58.902 58.902 59.033 -0.131 19606 1484 1 7 . 1 1 6 6 SER CB C 6 63.798 63.798 62.897 0.901 19606 1485 1 7 . 1 1 6 6 SER H H 6 8.460 8.460 8.750 -0.290 19606 1486 1 7 . 1 1 7 7 GLU N N 7 122.747 122.747 121.659 1.088 19606 1487 1 7 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.260 -0.235 19606 1488 1 7 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.187 -0.118 19606 1489 1 7 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.084 -0.331 19606 1490 1 7 . 1 1 7 7 GLU H H 7 8.550 8.550 8.768 -0.218 19606 1491 1 7 . 1 1 8 8 ASP N N 8 120.868 120.868 118.898 1.970 19606 1492 1 7 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.339 0.156 19606 1493 1 7 . 1 1 8 8 ASP CA C 8 55.590 55.590 57.045 -1.456 19606 1494 1 7 . 1 1 8 8 ASP CB C 8 40.662 40.662 39.634 1.028 19606 1495 1 7 . 1 1 8 8 ASP H H 8 8.293 8.293 8.997 -0.704 19606 1496 1 7 . 1 1 9 9 GLN N N 9 121.706 121.706 118.616 3.090 19606 1497 1 7 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.004 0.331 19606 1498 1 7 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.529 -1.036 19606 1499 1 7 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.042 0.697 19606 1500 1 7 . 1 1 9 9 GLN H H 9 8.290 8.290 7.712 0.578 19606 1501 1 7 . 1 1 10 10 THR N N 10 115.700 115.700 116.812 -1.112 19606 1502 1 7 . 1 1 10 10 THR HA H 10 3.802 3.802 3.815 -0.013 19606 1503 1 7 . 1 1 10 10 THR CA C 10 67.728 67.728 65.693 2.035 19606 1504 1 7 . 1 1 10 10 THR CB C 10 68.615 68.615 68.009 0.606 19606 1505 1 7 . 1 1 10 10 THR H H 10 8.193 8.193 8.118 0.075 19606 1506 1 7 . 1 1 11 11 ALA N N 11 123.074 123.074 122.377 0.697 19606 1507 1 7 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.092 -0.063 19606 1508 1 7 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.809 0.876 19606 1509 1 7 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.950 0.016 19606 1510 1 7 . 1 1 11 11 ALA H H 11 8.242 8.242 7.747 0.495 19606 1511 1 7 . 1 1 12 12 ALA N N 12 121.630 121.630 120.944 0.686 19606 1512 1 7 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.036 0.138 19606 1513 1 7 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.369 0.593 19606 1514 1 7 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.351 -0.142 19606 1515 1 7 . 1 1 12 12 ALA H H 12 7.994 7.994 7.409 0.585 19606 1516 1 7 . 1 1 13 13 LEU N N 13 118.959 118.959 118.400 0.559 19606 1517 1 7 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.606 0.574 19606 1518 1 7 . 1 1 13 13 LEU CA C 13 58.084 58.084 56.968 1.116 19606 1519 1 7 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.573 0.565 19606 1520 1 7 . 1 1 13 13 LEU H H 13 8.084 8.084 7.224 0.860 19606 1521 1 7 . 1 1 14 14 MET N N 14 118.344 118.344 116.694 1.650 19606 1522 1 7 . 1 1 14 14 MET HA H 14 4.251 4.251 3.654 0.597 19606 1523 1 7 . 1 1 14 14 MET CA C 14 57.168 57.168 58.659 -1.491 19606 1524 1 7 . 1 1 14 14 MET CB C 14 30.824 30.824 32.180 -1.356 19606 1525 1 7 . 1 1 14 14 MET H H 14 8.735 8.735 8.152 0.583 19606 1526 1 7 . 1 1 15 15 ALA N N 15 121.078 121.078 120.722 0.356 19606 1527 1 7 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.195 -0.063 19606 1528 1 7 . 1 1 15 15 ALA CA C 15 55.284 55.284 55.161 0.123 19606 1529 1 7 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.953 -0.103 19606 1530 1 7 . 1 1 15 15 ALA H H 15 7.934 7.934 7.517 0.417 19606 1531 1 7 . 1 1 16 16 HIS N N 16 117.529 117.529 116.010 1.519 19606 1532 1 7 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.502 0.038 19606 1533 1 7 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.931 0.870 19606 1534 1 7 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.084 0.506 19606 1535 1 7 . 1 1 16 16 HIS H H 16 7.779 7.779 7.283 0.496 19606 1536 1 7 . 1 1 17 17 LEU N N 17 118.416 118.416 118.566 -0.150 19606 1537 1 7 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.338 -0.145 19606 1538 1 7 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.992 0.670 19606 1539 1 7 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.826 -0.790 19606 1540 1 7 . 1 1 17 17 LEU H H 17 8.108 8.108 7.232 0.876 19606 1541 1 7 . 1 1 18 18 PHE N N 18 120.735 120.735 118.298 2.437 19606 1542 1 7 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.238 -0.000 19606 1543 1 7 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.129 1.012 19606 1544 1 7 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.419 1.067 19606 1545 1 7 . 1 1 18 18 PHE H H 18 8.671 8.671 7.430 1.241 19606 1546 1 7 . 1 1 19 19 GLU N N 19 120.792 120.792 118.385 2.407 19606 1547 1 7 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.108 -0.060 19606 1548 1 7 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.620 0.375 19606 1549 1 7 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.562 -0.161 19606 1550 1 7 . 1 1 19 19 GLU H H 19 8.274 8.274 7.869 0.405 19606 1551 1 7 . 1 1 20 20 MET N N 20 116.057 116.057 116.541 -0.484 19606 1552 1 7 . 1 1 20 20 MET HA H 20 4.171 4.171 4.337 -0.166 19606 1553 1 7 . 1 1 20 20 MET CA C 20 56.651 56.651 55.917 0.734 19606 1554 1 7 . 1 1 20 20 MET CB C 20 34.798 34.798 33.538 1.260 19606 1555 1 7 . 1 1 20 20 MET H H 20 7.428 7.428 8.055 -0.627 19606 1556 1 7 . 1 1 21 21 GLY N N 21 104.987 104.987 104.588 0.399 19606 1557 1 7 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.854 0.003 19606 1558 1 7 . 1 1 21 21 GLY H H 21 7.655 7.655 7.776 -0.121 19606 1559 1 7 . 1 1 22 22 PHE N N 22 123.944 123.944 120.445 3.499 19606 1560 1 7 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.440 0.401 19606 1561 1 7 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.406 -3.779 19606 1562 1 7 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.989 -2.580 19606 1563 1 7 . 1 1 22 22 PHE H H 22 7.893 7.893 7.474 0.419 19606 1564 1 7 . 1 1 23 23 CYS N N 23 119.030 119.030 117.440 1.590 19606 1565 1 7 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.220 -0.337 19606 1566 1 7 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.721 -1.873 19606 1567 1 7 . 1 1 23 23 CYS CB C 23 28.368 28.368 25.797 2.571 19606 1568 1 7 . 1 1 23 23 CYS H H 23 7.872 7.872 8.718 -0.846 19606 1569 1 7 . 1 1 24 24 ASP N N 24 123.683 123.683 119.671 4.012 19606 1570 1 7 . 1 1 24 24 ASP HA H 24 4.732 4.732 5.074 -0.342 19606 1571 1 7 . 1 1 24 24 ASP CA C 24 52.560 52.560 54.022 -1.462 19606 1572 1 7 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.437 -1.129 19606 1573 1 7 . 1 1 24 24 ASP H H 24 9.239 9.239 8.607 0.632 19606 1574 1 7 . 1 1 25 25 ARG N N 25 124.745 124.745 123.956 0.789 19606 1575 1 7 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.132 -0.132 19606 1576 1 7 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.309 1.379 19606 1577 1 7 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.813 1.436 19606 1578 1 7 . 1 1 25 25 ARG H H 25 8.311 8.311 8.633 -0.322 19606 1579 1 7 . 1 1 26 26 GLN N N 26 115.947 115.947 118.231 -2.284 19606 1580 1 7 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.166 -0.134 19606 1581 1 7 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.336 0.828 19606 1582 1 7 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.014 0.227 19606 1583 1 7 . 1 1 26 26 GLN H H 26 8.305 8.305 8.645 -0.340 19606 1584 1 7 . 1 1 27 27 LEU N N 27 124.102 124.102 122.474 1.628 19606 1585 1 7 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.053 -0.033 19606 1586 1 7 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.636 0.048 19606 1587 1 7 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.599 0.035 19606 1588 1 7 . 1 1 27 27 LEU H H 27 7.650 7.650 7.459 0.191 19606 1589 1 7 . 1 1 28 28 ASN N N 28 117.933 117.933 117.393 0.540 19606 1590 1 7 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.269 -0.218 19606 1591 1 7 . 1 1 28 28 ASN CA C 28 55.899 55.899 56.075 -0.176 19606 1592 1 7 . 1 1 28 28 ASN CB C 28 38.283 38.283 38.001 0.282 19606 1593 1 7 . 1 1 28 28 ASN H H 28 8.593 8.593 8.182 0.411 19606 1594 1 7 . 1 1 29 29 LEU N N 29 119.088 119.088 121.223 -2.135 19606 1595 1 7 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.175 -0.146 19606 1596 1 7 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.825 0.403 19606 1597 1 7 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.444 0.732 19606 1598 1 7 . 1 1 29 29 LEU H H 29 8.255 8.255 7.664 0.591 19606 1599 1 7 . 1 1 30 30 ARG N N 30 119.126 119.126 119.608 -0.482 19606 1600 1 7 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.111 -0.136 19606 1601 1 7 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.536 1.338 19606 1602 1 7 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.402 0.737 19606 1603 1 7 . 1 1 30 30 ARG H H 30 7.658 7.658 7.668 -0.010 19606 1604 1 7 . 1 1 31 31 LEU N N 31 119.791 119.791 120.756 -0.965 19606 1605 1 7 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.108 -0.058 19606 1606 1 7 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.156 0.435 19606 1607 1 7 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.321 1.371 19606 1608 1 7 . 1 1 31 31 LEU H H 31 8.557 8.557 8.447 0.110 19606 1609 1 7 . 1 1 32 32 LEU N N 32 121.080 121.080 120.140 0.940 19606 1610 1 7 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.810 -0.337 19606 1611 1 7 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.483 0.086 19606 1612 1 7 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.495 -0.275 19606 1613 1 7 . 1 1 32 32 LEU H H 32 8.822 8.822 7.937 0.885 19606 1614 1 7 . 1 1 33 33 LYS N N 33 116.581 116.581 116.538 0.043 19606 1615 1 7 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.159 -0.536 19606 1616 1 7 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.742 0.926 19606 1617 1 7 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.873 0.426 19606 1618 1 7 . 1 1 33 33 LYS H H 33 7.510 7.510 7.646 -0.136 19606 1619 1 7 . 1 1 34 34 LYS N N 34 121.781 121.781 118.369 3.412 19606 1620 1 7 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.068 -0.270 19606 1621 1 7 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.233 1.076 19606 1622 1 7 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.445 1.076 19606 1623 1 7 . 1 1 34 34 LYS H H 34 7.915 7.915 7.427 0.488 19606 1624 1 7 . 1 1 35 35 HIS N N 35 113.017 113.017 114.077 -1.060 19606 1625 1 7 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.636 0.142 19606 1626 1 7 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.081 -0.545 19606 1627 1 7 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.988 0.234 19606 1628 1 7 . 1 1 35 35 HIS H H 35 7.662 7.662 8.067 -0.405 19606 1629 1 7 . 1 1 36 36 ASN N N 36 119.419 119.419 116.383 3.036 19606 1630 1 7 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.433 -0.178 19606 1631 1 7 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.265 0.799 19606 1632 1 7 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.840 1.363 19606 1633 1 7 . 1 1 36 36 ASN H H 36 7.781 7.781 7.974 -0.193 19606 1634 1 7 . 1 1 37 37 TYR N N 37 107.213 107.213 113.175 -5.962 19606 1635 1 7 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.057 0.152 19606 1636 1 7 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.719 1.089 19606 1637 1 7 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.017 -2.063 19606 1638 1 7 . 1 1 37 37 TYR H H 37 9.103 9.103 8.871 0.232 19606 1639 1 7 . 1 1 38 38 ASN N N 38 116.482 116.482 118.519 -2.037 19606 1640 1 7 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.993 -0.178 19606 1641 1 7 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.608 1.069 19606 1642 1 7 . 1 1 38 38 ASN CB C 38 38.481 38.481 39.050 -0.569 19606 1643 1 7 . 1 1 38 38 ASN H H 38 7.249 7.249 7.980 -0.731 19606 1644 1 7 . 1 1 39 39 ILE N N 39 126.777 126.777 125.328 1.449 19606 1645 1 7 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.674 0.101 19606 1646 1 7 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.307 -0.295 19606 1647 1 7 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.264 0.173 19606 1648 1 7 . 1 1 39 39 ILE H H 39 8.568 8.568 8.547 0.021 19606 1649 1 7 . 1 1 40 40 LEU N N 40 122.044 122.044 117.765 4.279 19606 1650 1 7 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.863 0.155 19606 1651 1 7 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.199 0.001 19606 1652 1 7 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.052 -0.353 19606 1653 1 7 . 1 1 40 40 LEU H H 40 7.993 7.993 7.971 0.022 19606 1654 1 7 . 1 1 41 41 GLN N N 41 119.421 119.421 116.218 3.203 19606 1655 1 7 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.894 -0.138 19606 1656 1 7 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.607 0.711 19606 1657 1 7 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.502 0.602 19606 1658 1 7 . 1 1 41 41 GLN H H 41 7.555 7.555 7.506 0.049 19606 1659 1 7 . 1 1 42 42 VAL N N 42 119.806 119.806 121.666 -1.860 19606 1660 1 7 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.736 -0.544 19606 1661 1 7 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.338 2.016 19606 1662 1 7 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.932 0.613 19606 1663 1 7 . 1 1 42 42 VAL H H 42 7.454 7.454 8.137 -0.683 19606 1664 1 7 . 1 1 43 43 VAL N N 43 118.511 118.511 119.353 -0.842 19606 1665 1 7 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.400 -0.260 19606 1666 1 7 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.770 0.198 19606 1667 1 7 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.025 0.742 19606 1668 1 7 . 1 1 43 43 VAL H H 43 8.396 8.396 8.562 -0.166 19606 1669 1 7 . 1 1 44 44 THR N N 44 114.155 114.155 115.159 -1.004 19606 1670 1 7 . 1 1 44 44 THR HA H 44 3.673 3.673 3.966 -0.293 19606 1671 1 7 . 1 1 44 44 THR CA C 44 67.784 67.784 66.710 1.074 19606 1672 1 7 . 1 1 44 44 THR CB C 44 68.711 68.711 68.111 0.600 19606 1673 1 7 . 1 1 44 44 THR H H 44 7.767 7.767 7.657 0.110 19606 1674 1 7 . 1 1 45 45 GLU N N 45 121.134 121.134 122.551 -1.417 19606 1675 1 7 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.157 -0.115 19606 1676 1 7 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.586 0.649 19606 1677 1 7 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.330 -0.728 19606 1678 1 7 . 1 1 45 45 GLU H H 45 7.326 7.326 7.621 -0.295 19606 1679 1 7 . 1 1 46 46 LEU N N 46 120.965 120.965 119.917 1.048 19606 1680 1 7 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.914 -0.164 19606 1681 1 7 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.876 0.431 19606 1682 1 7 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.756 0.760 19606 1683 1 7 . 1 1 46 46 LEU H H 46 8.362 8.362 7.819 0.543 19606 1684 1 7 . 1 1 47 47 LEU N N 47 118.138 118.138 119.755 -1.617 19606 1685 1 7 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.301 -0.117 19606 1686 1 7 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.154 -0.927 19606 1687 1 7 . 1 1 47 47 LEU CB C 47 42.117 42.117 42.034 0.083 19606 1688 1 7 . 1 1 47 47 LEU H H 47 8.200 8.200 7.725 0.475 19606 1689 1 7 . 1 1 48 48 GLN N N 48 118.147 118.147 118.746 -0.599 19606 1690 1 7 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.994 0.202 19606 1691 1 7 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.957 -1.436 19606 1692 1 7 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.837 -0.336 19606 1693 1 7 . 1 1 48 48 GLN H H 48 7.643 7.643 8.229 -0.586 19606 1694 1 7 . 1 1 49 49 LEU N N 49 119.709 119.709 118.849 0.860 19606 1695 1 7 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.152 0.074 19606 1696 1 7 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.694 -1.358 19606 1697 1 7 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.581 0.752 19606 1698 1 7 . 1 1 49 49 LEU H H 49 7.966 7.966 8.639 -0.673 19606 1699 1 7 . 1 1 50 50 ASN N N 50 117.058 117.058 115.292 1.766 19606 1700 1 7 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.845 -0.114 19606 1701 1 7 . 1 1 50 50 ASN CA C 50 53.671 53.671 52.702 0.969 19606 1702 1 7 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.677 0.514 19606 1703 1 7 . 1 1 50 50 ASN H H 50 7.930 7.930 7.695 0.235 19606 1704 1 7 . 1 1 51 51 ASN N N 51 119.097 119.097 118.218 0.879 19606 1705 1 7 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.586 0.220 19606 1706 1 7 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.409 -1.974 19606 1707 1 7 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.255 0.920 19606 1708 1 7 . 1 1 51 51 ASN H H 51 8.114 8.114 8.112 0.002 19606 1709 1 8 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.588 0.141 19606 1710 1 8 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.192 0.959 19606 1711 1 8 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.785 -0.428 19606 1712 1 8 . 1 1 3 3 LEU N N 3 122.408 122.408 119.310 3.098 19606 1713 1 8 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.261 0.095 19606 1714 1 8 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.905 -0.473 19606 1715 1 8 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.137 0.177 19606 1716 1 8 . 1 1 3 3 LEU H H 3 8.542 8.542 8.253 0.289 19606 1717 1 8 . 1 1 4 4 GLY N N 4 109.946 109.946 105.674 4.272 19606 1718 1 8 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.596 0.698 19606 1719 1 8 . 1 1 4 4 GLY H H 4 8.406 8.406 7.922 0.484 19606 1720 1 8 . 1 1 5 5 SER N N 5 115.532 115.532 115.192 0.340 19606 1721 1 8 . 1 1 5 5 SER HA H 5 4.501 4.501 4.784 -0.283 19606 1722 1 8 . 1 1 5 5 SER CA C 5 58.036 58.036 57.275 0.761 19606 1723 1 8 . 1 1 5 5 SER CB C 5 64.169 64.169 65.859 -1.690 19606 1724 1 8 . 1 1 5 5 SER H H 5 8.216 8.216 8.289 -0.073 19606 1725 1 8 . 1 1 6 6 SER N N 6 117.955 117.955 118.043 -0.088 19606 1726 1 8 . 1 1 6 6 SER HA H 6 4.420 4.420 4.698 -0.278 19606 1727 1 8 . 1 1 6 6 SER CA C 6 58.902 58.902 57.890 1.012 19606 1728 1 8 . 1 1 6 6 SER CB C 6 63.798 63.798 64.166 -0.368 19606 1729 1 8 . 1 1 6 6 SER H H 6 8.460 8.460 8.548 -0.088 19606 1730 1 8 . 1 1 7 7 GLU N N 7 122.747 122.747 124.495 -1.748 19606 1731 1 8 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.076 -0.051 19606 1732 1 8 . 1 1 7 7 GLU CA C 7 58.068 58.068 59.129 -1.061 19606 1733 1 8 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.689 0.064 19606 1734 1 8 . 1 1 7 7 GLU H H 7 8.550 8.550 9.039 -0.489 19606 1735 1 8 . 1 1 8 8 ASP N N 8 120.868 120.868 118.265 2.603 19606 1736 1 8 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.354 0.141 19606 1737 1 8 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.735 -1.145 19606 1738 1 8 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.203 0.459 19606 1739 1 8 . 1 1 8 8 ASP H H 8 8.293 8.293 8.568 -0.275 19606 1740 1 8 . 1 1 9 9 GLN N N 9 121.706 121.706 119.172 2.534 19606 1741 1 8 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.043 0.292 19606 1742 1 8 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.677 -1.184 19606 1743 1 8 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.372 0.367 19606 1744 1 8 . 1 1 9 9 GLN H H 9 8.290 8.290 7.834 0.456 19606 1745 1 8 . 1 1 10 10 THR N N 10 115.700 115.700 115.859 -0.159 19606 1746 1 8 . 1 1 10 10 THR HA H 10 3.802 3.802 3.746 0.056 19606 1747 1 8 . 1 1 10 10 THR CA C 10 67.728 67.728 66.144 1.584 19606 1748 1 8 . 1 1 10 10 THR CB C 10 68.615 68.615 68.211 0.404 19606 1749 1 8 . 1 1 10 10 THR H H 10 8.193 8.193 7.725 0.468 19606 1750 1 8 . 1 1 11 11 ALA N N 11 123.074 123.074 122.470 0.604 19606 1751 1 8 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.081 -0.052 19606 1752 1 8 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.604 1.081 19606 1753 1 8 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.985 -0.020 19606 1754 1 8 . 1 1 11 11 ALA H H 11 8.242 8.242 7.468 0.774 19606 1755 1 8 . 1 1 12 12 ALA N N 12 121.630 121.630 120.519 1.111 19606 1756 1 8 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.060 0.114 19606 1757 1 8 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.345 0.617 19606 1758 1 8 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.357 -0.148 19606 1759 1 8 . 1 1 12 12 ALA H H 12 7.994 7.994 7.515 0.479 19606 1760 1 8 . 1 1 13 13 LEU N N 13 118.959 118.959 118.519 0.440 19606 1761 1 8 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.355 0.825 19606 1762 1 8 . 1 1 13 13 LEU CA C 13 58.084 58.084 56.742 1.342 19606 1763 1 8 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.353 0.785 19606 1764 1 8 . 1 1 13 13 LEU H H 13 8.084 8.084 7.189 0.895 19606 1765 1 8 . 1 1 14 14 MET N N 14 118.344 118.344 117.443 0.901 19606 1766 1 8 . 1 1 14 14 MET HA H 14 4.251 4.251 3.652 0.599 19606 1767 1 8 . 1 1 14 14 MET CA C 14 57.168 57.168 58.868 -1.700 19606 1768 1 8 . 1 1 14 14 MET CB C 14 30.824 30.824 32.000 -1.176 19606 1769 1 8 . 1 1 14 14 MET H H 14 8.735 8.735 8.184 0.551 19606 1770 1 8 . 1 1 15 15 ALA N N 15 121.078 121.078 120.593 0.485 19606 1771 1 8 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.172 -0.040 19606 1772 1 8 . 1 1 15 15 ALA CA C 15 55.284 55.284 55.214 0.070 19606 1773 1 8 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.879 -0.028 19606 1774 1 8 . 1 1 15 15 ALA H H 15 7.934 7.934 7.817 0.117 19606 1775 1 8 . 1 1 16 16 HIS N N 16 117.529 117.529 117.222 0.307 19606 1776 1 8 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.254 0.286 19606 1777 1 8 . 1 1 16 16 HIS CA C 16 58.801 58.801 58.038 0.763 19606 1778 1 8 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.068 0.521 19606 1779 1 8 . 1 1 16 16 HIS H H 16 7.779 7.779 7.238 0.541 19606 1780 1 8 . 1 1 17 17 LEU N N 17 118.416 118.416 118.316 0.100 19606 1781 1 8 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.266 -0.073 19606 1782 1 8 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.101 0.562 19606 1783 1 8 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.857 -0.821 19606 1784 1 8 . 1 1 17 17 LEU H H 17 8.108 8.108 7.341 0.767 19606 1785 1 8 . 1 1 18 18 PHE N N 18 120.735 120.735 118.193 2.542 19606 1786 1 8 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.198 0.040 19606 1787 1 8 . 1 1 18 18 PHE CA C 18 60.141 60.141 58.909 1.232 19606 1788 1 8 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.399 1.087 19606 1789 1 8 . 1 1 18 18 PHE H H 18 8.671 8.671 7.361 1.310 19606 1790 1 8 . 1 1 19 19 GLU N N 19 120.792 120.792 118.279 2.513 19606 1791 1 8 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.102 -0.054 19606 1792 1 8 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.798 0.197 19606 1793 1 8 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.452 -0.051 19606 1794 1 8 . 1 1 19 19 GLU H H 19 8.274 8.274 8.005 0.269 19606 1795 1 8 . 1 1 20 20 MET N N 20 116.057 116.057 116.017 0.040 19606 1796 1 8 . 1 1 20 20 MET HA H 20 4.171 4.171 4.365 -0.194 19606 1797 1 8 . 1 1 20 20 MET CA C 20 56.651 56.651 55.630 1.020 19606 1798 1 8 . 1 1 20 20 MET CB C 20 34.798 34.798 33.578 1.220 19606 1799 1 8 . 1 1 20 20 MET H H 20 7.428 7.428 8.021 -0.593 19606 1800 1 8 . 1 1 21 21 GLY N N 21 104.987 104.987 106.048 -1.061 19606 1801 1 8 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.715 0.142 19606 1802 1 8 . 1 1 21 21 GLY H H 21 7.655 7.655 7.614 0.042 19606 1803 1 8 . 1 1 22 22 PHE N N 22 123.944 123.944 119.011 4.933 19606 1804 1 8 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.568 0.273 19606 1805 1 8 . 1 1 22 22 PHE CA C 22 56.627 56.627 58.949 -2.322 19606 1806 1 8 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.945 -2.536 19606 1807 1 8 . 1 1 22 22 PHE H H 22 7.893 7.893 7.392 0.501 19606 1808 1 8 . 1 1 23 23 CYS N N 23 119.030 119.030 114.444 4.586 19606 1809 1 8 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.315 -0.432 19606 1810 1 8 . 1 1 23 23 CYS CA C 23 57.848 57.848 60.307 -2.459 19606 1811 1 8 . 1 1 23 23 CYS CB C 23 28.368 28.368 27.294 1.073 19606 1812 1 8 . 1 1 23 23 CYS H H 23 7.872 7.872 8.878 -1.006 19606 1813 1 8 . 1 1 24 24 ASP N N 24 123.683 123.683 120.423 3.260 19606 1814 1 8 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.822 -0.090 19606 1815 1 8 . 1 1 24 24 ASP CA C 24 52.560 52.560 54.079 -1.519 19606 1816 1 8 . 1 1 24 24 ASP CB C 24 40.308 40.308 39.725 0.583 19606 1817 1 8 . 1 1 24 24 ASP H H 24 9.239 9.239 8.577 0.662 19606 1818 1 8 . 1 1 25 25 ARG N N 25 124.745 124.745 123.300 1.445 19606 1819 1 8 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.093 -0.093 19606 1820 1 8 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.276 1.413 19606 1821 1 8 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.455 1.794 19606 1822 1 8 . 1 1 25 25 ARG H H 25 8.311 8.311 8.076 0.235 19606 1823 1 8 . 1 1 26 26 GLN N N 26 115.947 115.947 119.414 -3.467 19606 1824 1 8 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.145 -0.113 19606 1825 1 8 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.549 0.615 19606 1826 1 8 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.944 0.297 19606 1827 1 8 . 1 1 26 26 GLN H H 26 8.305 8.305 8.326 -0.021 19606 1828 1 8 . 1 1 27 27 LEU N N 27 124.102 124.102 121.362 2.740 19606 1829 1 8 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.986 0.034 19606 1830 1 8 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.011 -0.327 19606 1831 1 8 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.298 0.337 19606 1832 1 8 . 1 1 27 27 LEU H H 27 7.650 7.650 7.574 0.076 19606 1833 1 8 . 1 1 28 28 ASN N N 28 117.933 117.933 116.904 1.029 19606 1834 1 8 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.286 -0.235 19606 1835 1 8 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.906 -0.007 19606 1836 1 8 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.924 0.359 19606 1837 1 8 . 1 1 28 28 ASN H H 28 8.593 8.593 8.259 0.334 19606 1838 1 8 . 1 1 29 29 LEU N N 29 119.088 119.088 121.476 -2.388 19606 1839 1 8 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.172 -0.143 19606 1840 1 8 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.809 0.417 19606 1841 1 8 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.454 0.722 19606 1842 1 8 . 1 1 29 29 LEU H H 29 8.255 8.255 7.520 0.735 19606 1843 1 8 . 1 1 30 30 ARG N N 30 119.126 119.126 119.617 -0.491 19606 1844 1 8 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.115 -0.140 19606 1845 1 8 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.560 1.314 19606 1846 1 8 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.429 0.710 19606 1847 1 8 . 1 1 30 30 ARG H H 30 7.658 7.658 7.886 -0.228 19606 1848 1 8 . 1 1 31 31 LEU N N 31 119.791 119.791 120.627 -0.836 19606 1849 1 8 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.129 -0.079 19606 1850 1 8 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.364 0.227 19606 1851 1 8 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.200 1.492 19606 1852 1 8 . 1 1 31 31 LEU H H 31 8.557 8.557 8.458 0.099 19606 1853 1 8 . 1 1 32 32 LEU N N 32 121.080 121.080 120.238 0.842 19606 1854 1 8 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.853 -0.380 19606 1855 1 8 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.470 0.099 19606 1856 1 8 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.510 -0.290 19606 1857 1 8 . 1 1 32 32 LEU H H 32 8.822 8.822 8.031 0.791 19606 1858 1 8 . 1 1 33 33 LYS N N 33 116.581 116.581 116.513 0.068 19606 1859 1 8 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.177 -0.554 19606 1860 1 8 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.387 1.282 19606 1861 1 8 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.637 0.662 19606 1862 1 8 . 1 1 33 33 LYS H H 33 7.510 7.510 7.729 -0.219 19606 1863 1 8 . 1 1 34 34 LYS N N 34 121.781 121.781 118.695 3.086 19606 1864 1 8 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.081 -0.283 19606 1865 1 8 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.165 1.144 19606 1866 1 8 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.433 1.088 19606 1867 1 8 . 1 1 34 34 LYS H H 34 7.915 7.915 7.622 0.292 19606 1868 1 8 . 1 1 35 35 HIS N N 35 113.017 113.017 114.162 -1.145 19606 1869 1 8 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.627 0.151 19606 1870 1 8 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.124 -0.587 19606 1871 1 8 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.959 0.263 19606 1872 1 8 . 1 1 35 35 HIS H H 35 7.662 7.662 8.028 -0.366 19606 1873 1 8 . 1 1 36 36 ASN N N 36 119.419 119.419 116.280 3.139 19606 1874 1 8 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.412 -0.157 19606 1875 1 8 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.240 0.824 19606 1876 1 8 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.809 1.394 19606 1877 1 8 . 1 1 36 36 ASN H H 36 7.781 7.781 7.981 -0.200 19606 1878 1 8 . 1 1 37 37 TYR N N 37 107.213 107.213 112.940 -5.727 19606 1879 1 8 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.063 0.146 19606 1880 1 8 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.342 1.466 19606 1881 1 8 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.122 -2.168 19606 1882 1 8 . 1 1 37 37 TYR H H 37 9.103 9.103 8.926 0.177 19606 1883 1 8 . 1 1 38 38 ASN N N 38 116.482 116.482 119.281 -2.799 19606 1884 1 8 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.986 -0.171 19606 1885 1 8 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.721 0.957 19606 1886 1 8 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.743 -0.262 19606 1887 1 8 . 1 1 38 38 ASN H H 38 7.249 7.249 8.017 -0.768 19606 1888 1 8 . 1 1 39 39 ILE N N 39 126.777 126.777 125.673 1.104 19606 1889 1 8 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.708 0.067 19606 1890 1 8 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.278 -0.266 19606 1891 1 8 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.260 0.177 19606 1892 1 8 . 1 1 39 39 ILE H H 39 8.568 8.568 8.579 -0.011 19606 1893 1 8 . 1 1 40 40 LEU N N 40 122.044 122.044 118.380 3.664 19606 1894 1 8 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.799 0.219 19606 1895 1 8 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.015 0.185 19606 1896 1 8 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.988 -0.289 19606 1897 1 8 . 1 1 40 40 LEU H H 40 7.993 7.993 7.994 -0.001 19606 1898 1 8 . 1 1 41 41 GLN N N 41 119.421 119.421 116.825 2.596 19606 1899 1 8 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.895 -0.139 19606 1900 1 8 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.697 0.621 19606 1901 1 8 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.843 0.261 19606 1902 1 8 . 1 1 41 41 GLN H H 41 7.555 7.555 7.580 -0.025 19606 1903 1 8 . 1 1 42 42 VAL N N 42 119.806 119.806 121.620 -1.814 19606 1904 1 8 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.660 -0.468 19606 1905 1 8 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.963 0.391 19606 1906 1 8 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.626 -0.081 19606 1907 1 8 . 1 1 42 42 VAL H H 42 7.454 7.454 8.184 -0.730 19606 1908 1 8 . 1 1 43 43 VAL N N 43 118.511 118.511 118.765 -0.254 19606 1909 1 8 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.587 -0.447 19606 1910 1 8 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.453 0.515 19606 1911 1 8 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.661 1.106 19606 1912 1 8 . 1 1 43 43 VAL H H 43 8.396 8.396 8.399 -0.003 19606 1913 1 8 . 1 1 44 44 THR N N 44 114.155 114.155 116.255 -2.100 19606 1914 1 8 . 1 1 44 44 THR HA H 44 3.673 3.673 3.866 -0.193 19606 1915 1 8 . 1 1 44 44 THR CA C 44 67.784 67.784 67.400 0.383 19606 1916 1 8 . 1 1 44 44 THR CB C 44 68.711 68.711 68.419 0.292 19606 1917 1 8 . 1 1 44 44 THR H H 44 7.767 7.767 7.520 0.247 19606 1918 1 8 . 1 1 45 45 GLU N N 45 121.134 121.134 122.027 -0.893 19606 1919 1 8 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.149 -0.107 19606 1920 1 8 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.093 1.142 19606 1921 1 8 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.189 -0.587 19606 1922 1 8 . 1 1 45 45 GLU H H 45 7.326 7.326 7.624 -0.298 19606 1923 1 8 . 1 1 46 46 LEU N N 46 120.965 120.965 120.075 0.890 19606 1924 1 8 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.743 0.007 19606 1925 1 8 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.561 0.746 19606 1926 1 8 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.722 0.794 19606 1927 1 8 . 1 1 46 46 LEU H H 46 8.362 8.362 7.758 0.604 19606 1928 1 8 . 1 1 47 47 LEU N N 47 118.138 118.138 120.066 -1.928 19606 1929 1 8 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.170 0.014 19606 1930 1 8 . 1 1 47 47 LEU CA C 47 57.227 57.227 59.100 -1.873 19606 1931 1 8 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.809 0.308 19606 1932 1 8 . 1 1 47 47 LEU H H 47 8.200 8.200 8.500 -0.300 19606 1933 1 8 . 1 1 48 48 GLN N N 48 118.147 118.147 117.974 0.173 19606 1934 1 8 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.984 0.212 19606 1935 1 8 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.063 -1.542 19606 1936 1 8 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.724 -0.223 19606 1937 1 8 . 1 1 48 48 GLN H H 48 7.643 7.643 7.733 -0.090 19606 1938 1 8 . 1 1 49 49 LEU N N 49 119.709 119.709 119.897 -0.188 19606 1939 1 8 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.260 -0.034 19606 1940 1 8 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.709 -1.373 19606 1941 1 8 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.293 1.040 19606 1942 1 8 . 1 1 49 49 LEU H H 49 7.966 7.966 8.528 -0.562 19606 1943 1 8 . 1 1 50 50 ASN N N 50 117.058 117.058 116.566 0.492 19606 1944 1 8 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.564 0.167 19606 1945 1 8 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.365 -1.694 19606 1946 1 8 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.802 0.389 19606 1947 1 8 . 1 1 50 50 ASN H H 50 7.930 7.930 8.192 -0.262 19606 1948 1 8 . 1 1 51 51 ASN N N 51 119.097 119.097 117.597 1.500 19606 1949 1 8 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.607 0.199 19606 1950 1 8 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.755 -1.320 19606 1951 1 8 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.016 0.159 19606 1952 1 8 . 1 1 51 51 ASN H H 51 8.114 8.114 8.149 -0.035 19606 1953 1 9 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.458 0.271 19606 1954 1 9 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.426 -0.275 19606 1955 1 9 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.278 0.079 19606 1956 1 9 . 1 1 3 3 LEU N N 3 122.408 122.408 121.510 0.898 19606 1957 1 9 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.400 -0.044 19606 1958 1 9 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.642 0.790 19606 1959 1 9 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.738 -0.424 19606 1960 1 9 . 1 1 3 3 LEU H H 3 8.542 8.542 7.614 0.928 19606 1961 1 9 . 1 1 4 4 GLY N N 4 109.946 109.946 109.404 0.542 19606 1962 1 9 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.904 0.390 19606 1963 1 9 . 1 1 4 4 GLY H H 4 8.406 8.406 8.572 -0.166 19606 1964 1 9 . 1 1 5 5 SER N N 5 115.532 115.532 116.099 -0.567 19606 1965 1 9 . 1 1 5 5 SER HA H 5 4.501 4.501 4.274 0.227 19606 1966 1 9 . 1 1 5 5 SER CA C 5 58.036 58.036 58.803 -0.767 19606 1967 1 9 . 1 1 5 5 SER CB C 5 64.169 64.169 62.575 1.594 19606 1968 1 9 . 1 1 5 5 SER H H 5 8.216 8.216 8.510 -0.294 19606 1969 1 9 . 1 1 6 6 SER N N 6 117.955 117.955 116.806 1.149 19606 1970 1 9 . 1 1 6 6 SER HA H 6 4.420 4.420 4.648 -0.228 19606 1971 1 9 . 1 1 6 6 SER CA C 6 58.902 58.902 57.252 1.649 19606 1972 1 9 . 1 1 6 6 SER CB C 6 63.798 63.798 64.748 -0.949 19606 1973 1 9 . 1 1 6 6 SER H H 6 8.460 8.460 7.977 0.483 19606 1974 1 9 . 1 1 7 7 GLU N N 7 122.747 122.747 127.251 -4.504 19606 1975 1 9 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.046 -0.021 19606 1976 1 9 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.967 -0.899 19606 1977 1 9 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.724 0.029 19606 1978 1 9 . 1 1 7 7 GLU H H 7 8.550 8.550 9.143 -0.593 19606 1979 1 9 . 1 1 8 8 ASP N N 8 120.868 120.868 118.757 2.111 19606 1980 1 9 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.334 0.161 19606 1981 1 9 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.902 -1.312 19606 1982 1 9 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.362 0.300 19606 1983 1 9 . 1 1 8 8 ASP H H 8 8.293 8.293 8.583 -0.290 19606 1984 1 9 . 1 1 9 9 GLN N N 9 121.706 121.706 118.907 2.799 19606 1985 1 9 . 1 1 9 9 GLN HA H 9 4.335 4.335 3.951 0.384 19606 1986 1 9 . 1 1 9 9 GLN CA C 9 57.493 57.493 59.176 -1.683 19606 1987 1 9 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.610 0.129 19606 1988 1 9 . 1 1 9 9 GLN H H 9 8.290 8.290 7.688 0.602 19606 1989 1 9 . 1 1 10 10 THR N N 10 115.700 115.700 115.602 0.098 19606 1990 1 9 . 1 1 10 10 THR HA H 10 3.802 3.802 3.766 0.036 19606 1991 1 9 . 1 1 10 10 THR CA C 10 67.728 67.728 66.155 1.573 19606 1992 1 9 . 1 1 10 10 THR CB C 10 68.615 68.615 68.433 0.182 19606 1993 1 9 . 1 1 10 10 THR H H 10 8.193 8.193 7.741 0.452 19606 1994 1 9 . 1 1 11 11 ALA N N 11 123.074 123.074 122.340 0.734 19606 1995 1 9 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.155 -0.126 19606 1996 1 9 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.540 1.145 19606 1997 1 9 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.961 0.004 19606 1998 1 9 . 1 1 11 11 ALA H H 11 8.242 8.242 7.448 0.794 19606 1999 1 9 . 1 1 12 12 ALA N N 12 121.630 121.630 121.164 0.466 19606 2000 1 9 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.064 0.110 19606 2001 1 9 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.348 0.614 19606 2002 1 9 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.419 -0.210 19606 2003 1 9 . 1 1 12 12 ALA H H 12 7.994 7.994 7.597 0.397 19606 2004 1 9 . 1 1 13 13 LEU N N 13 118.959 118.959 118.799 0.160 19606 2005 1 9 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.432 0.748 19606 2006 1 9 . 1 1 13 13 LEU CA C 13 58.084 58.084 56.980 1.104 19606 2007 1 9 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.596 0.542 19606 2008 1 9 . 1 1 13 13 LEU H H 13 8.084 8.084 7.358 0.726 19606 2009 1 9 . 1 1 14 14 MET N N 14 118.344 118.344 117.310 1.034 19606 2010 1 9 . 1 1 14 14 MET HA H 14 4.251 4.251 3.568 0.683 19606 2011 1 9 . 1 1 14 14 MET CA C 14 57.168 57.168 58.835 -1.667 19606 2012 1 9 . 1 1 14 14 MET CB C 14 30.824 30.824 31.895 -1.071 19606 2013 1 9 . 1 1 14 14 MET H H 14 8.735 8.735 8.294 0.441 19606 2014 1 9 . 1 1 15 15 ALA N N 15 121.078 121.078 120.021 1.057 19606 2015 1 9 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.147 -0.015 19606 2016 1 9 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.489 0.795 19606 2017 1 9 . 1 1 15 15 ALA CB C 15 17.851 17.851 18.143 -0.292 19606 2018 1 9 . 1 1 15 15 ALA H H 15 7.934 7.934 7.683 0.251 19606 2019 1 9 . 1 1 16 16 HIS N N 16 117.529 117.529 116.726 0.803 19606 2020 1 9 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.334 0.206 19606 2021 1 9 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.771 1.030 19606 2022 1 9 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.189 0.400 19606 2023 1 9 . 1 1 16 16 HIS H H 16 7.779 7.779 7.639 0.140 19606 2024 1 9 . 1 1 17 17 LEU N N 17 118.416 118.416 118.817 -0.401 19606 2025 1 9 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.291 -0.098 19606 2026 1 9 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.985 0.678 19606 2027 1 9 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.890 -0.854 19606 2028 1 9 . 1 1 17 17 LEU H H 17 8.108 8.108 7.112 0.996 19606 2029 1 9 . 1 1 18 18 PHE N N 18 120.735 120.735 118.286 2.449 19606 2030 1 9 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.186 0.052 19606 2031 1 9 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.429 0.712 19606 2032 1 9 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.490 0.996 19606 2033 1 9 . 1 1 18 18 PHE H H 18 8.671 8.671 7.566 1.105 19606 2034 1 9 . 1 1 19 19 GLU N N 19 120.792 120.792 118.248 2.544 19606 2035 1 9 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.128 -0.080 19606 2036 1 9 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.684 0.311 19606 2037 1 9 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.405 -0.005 19606 2038 1 9 . 1 1 19 19 GLU H H 19 8.274 8.274 7.765 0.509 19606 2039 1 9 . 1 1 20 20 MET N N 20 116.057 116.057 116.150 -0.093 19606 2040 1 9 . 1 1 20 20 MET HA H 20 4.171 4.171 4.332 -0.161 19606 2041 1 9 . 1 1 20 20 MET CA C 20 56.651 56.651 55.660 0.991 19606 2042 1 9 . 1 1 20 20 MET CB C 20 34.798 34.798 33.301 1.497 19606 2043 1 9 . 1 1 20 20 MET H H 20 7.428 7.428 8.062 -0.633 19606 2044 1 9 . 1 1 21 21 GLY N N 21 104.987 104.987 104.518 0.469 19606 2045 1 9 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.859 -0.002 19606 2046 1 9 . 1 1 21 21 GLY H H 21 7.655 7.655 7.717 -0.062 19606 2047 1 9 . 1 1 22 22 PHE N N 22 123.944 123.944 120.635 3.309 19606 2048 1 9 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.466 0.375 19606 2049 1 9 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.283 -3.656 19606 2050 1 9 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.856 -2.447 19606 2051 1 9 . 1 1 22 22 PHE H H 22 7.893 7.893 7.490 0.403 19606 2052 1 9 . 1 1 23 23 CYS N N 23 119.030 119.030 116.972 2.058 19606 2053 1 9 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.220 -0.337 19606 2054 1 9 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.495 -1.647 19606 2055 1 9 . 1 1 23 23 CYS CB C 23 28.368 28.368 25.617 2.751 19606 2056 1 9 . 1 1 23 23 CYS H H 23 7.872 7.872 8.692 -0.820 19606 2057 1 9 . 1 1 24 24 ASP N N 24 123.683 123.683 120.984 2.699 19606 2058 1 9 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.959 -0.227 19606 2059 1 9 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.925 -1.365 19606 2060 1 9 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.551 -1.243 19606 2061 1 9 . 1 1 24 24 ASP H H 24 9.239 9.239 8.573 0.666 19606 2062 1 9 . 1 1 25 25 ARG N N 25 124.745 124.745 124.153 0.592 19606 2063 1 9 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.226 -0.226 19606 2064 1 9 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.190 1.499 19606 2065 1 9 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.413 1.836 19606 2066 1 9 . 1 1 25 25 ARG H H 25 8.311 8.311 8.803 -0.492 19606 2067 1 9 . 1 1 26 26 GLN N N 26 115.947 115.947 118.799 -2.852 19606 2068 1 9 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.172 -0.140 19606 2069 1 9 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.525 0.639 19606 2070 1 9 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.226 0.015 19606 2071 1 9 . 1 1 26 26 GLN H H 26 8.305 8.305 8.471 -0.166 19606 2072 1 9 . 1 1 27 27 LEU N N 27 124.102 124.102 121.787 2.315 19606 2073 1 9 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.975 0.045 19606 2074 1 9 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.996 -0.312 19606 2075 1 9 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.114 0.521 19606 2076 1 9 . 1 1 27 27 LEU H H 27 7.650 7.650 8.221 -0.571 19606 2077 1 9 . 1 1 28 28 ASN N N 28 117.933 117.933 116.709 1.224 19606 2078 1 9 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.300 -0.249 19606 2079 1 9 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.948 -0.049 19606 2080 1 9 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.950 0.333 19606 2081 1 9 . 1 1 28 28 ASN H H 28 8.593 8.593 8.129 0.464 19606 2082 1 9 . 1 1 29 29 LEU N N 29 119.088 119.088 121.587 -2.499 19606 2083 1 9 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.201 -0.172 19606 2084 1 9 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.707 0.520 19606 2085 1 9 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.505 0.671 19606 2086 1 9 . 1 1 29 29 LEU H H 29 8.255 8.255 7.489 0.766 19606 2087 1 9 . 1 1 30 30 ARG N N 30 119.126 119.126 119.612 -0.486 19606 2088 1 9 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.114 -0.139 19606 2089 1 9 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.614 1.260 19606 2090 1 9 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.472 0.667 19606 2091 1 9 . 1 1 30 30 ARG H H 30 7.658 7.658 8.242 -0.584 19606 2092 1 9 . 1 1 31 31 LEU N N 31 119.791 119.791 120.693 -0.902 19606 2093 1 9 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.138 -0.088 19606 2094 1 9 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.112 0.479 19606 2095 1 9 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.301 1.391 19606 2096 1 9 . 1 1 31 31 LEU H H 31 8.557 8.557 8.434 0.123 19606 2097 1 9 . 1 1 32 32 LEU N N 32 121.080 121.080 120.312 0.768 19606 2098 1 9 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.845 -0.372 19606 2099 1 9 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.463 0.106 19606 2100 1 9 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.516 -0.296 19606 2101 1 9 . 1 1 32 32 LEU H H 32 8.822 8.822 7.832 0.990 19606 2102 1 9 . 1 1 33 33 LYS N N 33 116.581 116.581 116.859 -0.278 19606 2103 1 9 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.181 -0.558 19606 2104 1 9 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.342 1.327 19606 2105 1 9 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.619 0.680 19606 2106 1 9 . 1 1 33 33 LYS H H 33 7.510 7.510 7.704 -0.194 19606 2107 1 9 . 1 1 34 34 LYS N N 34 121.781 121.781 118.268 3.513 19606 2108 1 9 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.064 -0.266 19606 2109 1 9 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.262 1.047 19606 2110 1 9 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.432 1.089 19606 2111 1 9 . 1 1 34 34 LYS H H 34 7.915 7.915 7.383 0.532 19606 2112 1 9 . 1 1 35 35 HIS N N 35 113.017 113.017 113.983 -0.966 19606 2113 1 9 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.654 0.124 19606 2114 1 9 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.015 -0.478 19606 2115 1 9 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.035 0.187 19606 2116 1 9 . 1 1 35 35 HIS H H 35 7.662 7.662 7.989 -0.327 19606 2117 1 9 . 1 1 36 36 ASN N N 36 119.419 119.419 116.384 3.035 19606 2118 1 9 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.401 -0.146 19606 2119 1 9 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.276 0.788 19606 2120 1 9 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.870 1.333 19606 2121 1 9 . 1 1 36 36 ASN H H 36 7.781 7.781 7.992 -0.211 19606 2122 1 9 . 1 1 37 37 TYR N N 37 107.213 107.213 112.966 -5.753 19606 2123 1 9 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.072 0.137 19606 2124 1 9 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.238 1.570 19606 2125 1 9 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.228 -2.274 19606 2126 1 9 . 1 1 37 37 TYR H H 37 9.103 9.103 8.904 0.199 19606 2127 1 9 . 1 1 38 38 ASN N N 38 116.482 116.482 119.137 -2.655 19606 2128 1 9 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.995 -0.180 19606 2129 1 9 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.307 1.371 19606 2130 1 9 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.462 0.019 19606 2131 1 9 . 1 1 38 38 ASN H H 38 7.249 7.249 7.976 -0.727 19606 2132 1 9 . 1 1 39 39 ILE N N 39 126.777 126.777 125.710 1.067 19606 2133 1 9 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.702 0.073 19606 2134 1 9 . 1 1 39 39 ILE CA C 39 63.012 63.012 62.991 0.021 19606 2135 1 9 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.273 0.164 19606 2136 1 9 . 1 1 39 39 ILE H H 39 8.568 8.568 8.547 0.021 19606 2137 1 9 . 1 1 40 40 LEU N N 40 122.044 122.044 119.130 2.914 19606 2138 1 9 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.799 0.219 19606 2139 1 9 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.105 0.095 19606 2140 1 9 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.871 -0.172 19606 2141 1 9 . 1 1 40 40 LEU H H 40 7.993 7.993 7.832 0.161 19606 2142 1 9 . 1 1 41 41 GLN N N 41 119.421 119.421 116.459 2.962 19606 2143 1 9 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.898 -0.142 19606 2144 1 9 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.881 0.437 19606 2145 1 9 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.646 0.458 19606 2146 1 9 . 1 1 41 41 GLN H H 41 7.555 7.555 7.498 0.057 19606 2147 1 9 . 1 1 42 42 VAL N N 42 119.806 119.806 120.989 -1.183 19606 2148 1 9 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.654 -0.462 19606 2149 1 9 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.925 0.429 19606 2150 1 9 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.492 0.053 19606 2151 1 9 . 1 1 42 42 VAL H H 42 7.454 7.454 8.097 -0.643 19606 2152 1 9 . 1 1 43 43 VAL N N 43 118.511 118.511 118.981 -0.470 19606 2153 1 9 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.542 -0.402 19606 2154 1 9 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.847 0.121 19606 2155 1 9 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.489 0.278 19606 2156 1 9 . 1 1 43 43 VAL H H 43 8.396 8.396 8.689 -0.293 19606 2157 1 9 . 1 1 44 44 THR N N 44 114.155 114.155 115.202 -1.047 19606 2158 1 9 . 1 1 44 44 THR HA H 44 3.673 3.673 3.996 -0.323 19606 2159 1 9 . 1 1 44 44 THR CA C 44 67.784 67.784 66.600 1.184 19606 2160 1 9 . 1 1 44 44 THR CB C 44 68.711 68.711 68.075 0.636 19606 2161 1 9 . 1 1 44 44 THR H H 44 7.767 7.767 7.599 0.168 19606 2162 1 9 . 1 1 45 45 GLU N N 45 121.134 121.134 122.480 -1.346 19606 2163 1 9 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.150 -0.108 19606 2164 1 9 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.438 0.797 19606 2165 1 9 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.503 -0.901 19606 2166 1 9 . 1 1 45 45 GLU H H 45 7.326 7.326 7.734 -0.408 19606 2167 1 9 . 1 1 46 46 LEU N N 46 120.965 120.965 120.125 0.840 19606 2168 1 9 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.845 -0.095 19606 2169 1 9 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.843 0.464 19606 2170 1 9 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.592 0.924 19606 2171 1 9 . 1 1 46 46 LEU H H 46 8.362 8.362 7.888 0.474 19606 2172 1 9 . 1 1 47 47 LEU N N 47 118.138 118.138 119.638 -1.500 19606 2173 1 9 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.214 -0.030 19606 2174 1 9 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.404 -1.177 19606 2175 1 9 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.931 0.186 19606 2176 1 9 . 1 1 47 47 LEU H H 47 8.200 8.200 7.773 0.427 19606 2177 1 9 . 1 1 48 48 GLN N N 48 118.147 118.147 118.527 -0.380 19606 2178 1 9 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.969 0.227 19606 2179 1 9 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.223 -1.702 19606 2180 1 9 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.613 -0.113 19606 2181 1 9 . 1 1 48 48 GLN H H 48 7.643 7.643 7.938 -0.295 19606 2182 1 9 . 1 1 49 49 LEU N N 49 119.709 119.709 119.751 -0.042 19606 2183 1 9 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.097 0.129 19606 2184 1 9 . 1 1 49 49 LEU CA C 49 56.336 56.336 58.033 -1.697 19606 2185 1 9 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.569 0.764 19606 2186 1 9 . 1 1 49 49 LEU H H 49 7.966 7.966 8.655 -0.689 19606 2187 1 9 . 1 1 50 50 ASN N N 50 117.058 117.058 117.293 -0.235 19606 2188 1 9 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.621 0.110 19606 2189 1 9 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.165 -1.494 19606 2190 1 9 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.618 0.573 19606 2191 1 9 . 1 1 50 50 ASN H H 50 7.930 7.930 7.787 0.143 19606 2192 1 9 . 1 1 51 51 ASN N N 51 119.097 119.097 117.033 2.064 19606 2193 1 9 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.677 0.129 19606 2194 1 9 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.014 -0.579 19606 2195 1 9 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.674 0.501 19606 2196 1 9 . 1 1 51 51 ASN H H 51 8.114 8.114 7.964 0.150 19606 2197 1 10 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.885 -0.156 19606 2198 1 10 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.566 0.585 19606 2199 1 10 . 1 1 2 2 PRO CB C 2 32.357 32.357 33.266 -0.909 19606 2200 1 10 . 1 1 3 3 LEU N N 3 122.408 122.408 118.663 3.745 19606 2201 1 10 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.726 -0.370 19606 2202 1 10 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.574 -0.142 19606 2203 1 10 . 1 1 3 3 LEU CB C 3 42.314 42.314 43.268 -0.954 19606 2204 1 10 . 1 1 3 3 LEU H H 3 8.542 8.542 8.849 -0.307 19606 2205 1 10 . 1 1 4 4 GLY N N 4 109.946 109.946 108.807 1.139 19606 2206 1 10 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.330 0.964 19606 2207 1 10 . 1 1 4 4 GLY H H 4 8.406 8.406 7.926 0.480 19606 2208 1 10 . 1 1 5 5 SER N N 5 115.532 115.532 119.493 -3.961 19606 2209 1 10 . 1 1 5 5 SER HA H 5 4.501 4.501 4.706 -0.205 19606 2210 1 10 . 1 1 5 5 SER CA C 5 58.036 58.036 58.065 -0.029 19606 2211 1 10 . 1 1 5 5 SER CB C 5 64.169 64.169 63.790 0.379 19606 2212 1 10 . 1 1 5 5 SER H H 5 8.216 8.216 8.236 -0.020 19606 2213 1 10 . 1 1 6 6 SER N N 6 117.955 117.955 120.867 -2.912 19606 2214 1 10 . 1 1 6 6 SER HA H 6 4.420 4.420 4.718 -0.298 19606 2215 1 10 . 1 1 6 6 SER CA C 6 58.902 58.902 57.916 0.986 19606 2216 1 10 . 1 1 6 6 SER CB C 6 63.798 63.798 64.944 -1.145 19606 2217 1 10 . 1 1 6 6 SER H H 6 8.460 8.460 8.650 -0.190 19606 2218 1 10 . 1 1 7 7 GLU N N 7 122.747 122.747 127.062 -4.315 19606 2219 1 10 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.207 -0.182 19606 2220 1 10 . 1 1 7 7 GLU CA C 7 58.068 58.068 57.850 0.218 19606 2221 1 10 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.022 -0.269 19606 2222 1 10 . 1 1 7 7 GLU H H 7 8.550 8.550 8.945 -0.395 19606 2223 1 10 . 1 1 8 8 ASP N N 8 120.868 120.868 119.830 1.038 19606 2224 1 10 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.318 0.177 19606 2225 1 10 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.935 -1.345 19606 2226 1 10 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.828 -0.166 19606 2227 1 10 . 1 1 8 8 ASP H H 8 8.293 8.293 8.164 0.129 19606 2228 1 10 . 1 1 9 9 GLN N N 9 121.706 121.706 118.002 3.704 19606 2229 1 10 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.064 0.271 19606 2230 1 10 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.873 -1.379 19606 2231 1 10 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.237 0.502 19606 2232 1 10 . 1 1 9 9 GLN H H 9 8.290 8.290 8.079 0.211 19606 2233 1 10 . 1 1 10 10 THR N N 10 115.700 115.700 116.087 -0.387 19606 2234 1 10 . 1 1 10 10 THR HA H 10 3.802 3.802 3.791 0.011 19606 2235 1 10 . 1 1 10 10 THR CA C 10 67.728 67.728 66.230 1.498 19606 2236 1 10 . 1 1 10 10 THR CB C 10 68.615 68.615 68.399 0.216 19606 2237 1 10 . 1 1 10 10 THR H H 10 8.193 8.193 7.599 0.594 19606 2238 1 10 . 1 1 11 11 ALA N N 11 123.074 123.074 121.951 1.123 19606 2239 1 10 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.078 -0.049 19606 2240 1 10 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.804 0.881 19606 2241 1 10 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.175 -0.210 19606 2242 1 10 . 1 1 11 11 ALA H H 11 8.242 8.242 7.553 0.688 19606 2243 1 10 . 1 1 12 12 ALA N N 12 121.630 121.630 121.264 0.366 19606 2244 1 10 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.077 0.097 19606 2245 1 10 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.344 0.618 19606 2246 1 10 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.365 -0.156 19606 2247 1 10 . 1 1 12 12 ALA H H 12 7.994 7.994 7.508 0.486 19606 2248 1 10 . 1 1 13 13 LEU N N 13 118.959 118.959 119.299 -0.340 19606 2249 1 10 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.878 0.302 19606 2250 1 10 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.542 0.542 19606 2251 1 10 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.493 0.645 19606 2252 1 10 . 1 1 13 13 LEU H H 13 8.084 8.084 7.648 0.436 19606 2253 1 10 . 1 1 14 14 MET N N 14 118.344 118.344 115.182 3.162 19606 2254 1 10 . 1 1 14 14 MET HA H 14 4.251 4.251 3.751 0.500 19606 2255 1 10 . 1 1 14 14 MET CA C 14 57.168 57.168 58.136 -0.968 19606 2256 1 10 . 1 1 14 14 MET CB C 14 30.824 30.824 31.764 -0.940 19606 2257 1 10 . 1 1 14 14 MET H H 14 8.735 8.735 7.705 1.030 19606 2258 1 10 . 1 1 15 15 ALA N N 15 121.078 121.078 121.195 -0.117 19606 2259 1 10 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.251 -0.119 19606 2260 1 10 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.986 0.298 19606 2261 1 10 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.857 -0.006 19606 2262 1 10 . 1 1 15 15 ALA H H 15 7.934 7.934 7.862 0.072 19606 2263 1 10 . 1 1 16 16 HIS N N 16 117.529 117.529 116.476 1.053 19606 2264 1 10 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.360 0.180 19606 2265 1 10 . 1 1 16 16 HIS CA C 16 58.801 58.801 58.639 0.162 19606 2266 1 10 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.443 0.146 19606 2267 1 10 . 1 1 16 16 HIS H H 16 7.779 7.779 7.401 0.378 19606 2268 1 10 . 1 1 17 17 LEU N N 17 118.416 118.416 118.990 -0.574 19606 2269 1 10 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.279 -0.086 19606 2270 1 10 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.898 0.765 19606 2271 1 10 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.952 -0.916 19606 2272 1 10 . 1 1 17 17 LEU H H 17 8.108 8.108 7.337 0.771 19606 2273 1 10 . 1 1 18 18 PHE N N 18 120.735 120.735 118.215 2.520 19606 2274 1 10 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.186 0.052 19606 2275 1 10 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.945 0.196 19606 2276 1 10 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.621 0.865 19606 2277 1 10 . 1 1 18 18 PHE H H 18 8.671 8.671 7.904 0.767 19606 2278 1 10 . 1 1 19 19 GLU N N 19 120.792 120.792 118.034 2.758 19606 2279 1 10 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.148 -0.100 19606 2280 1 10 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.536 0.459 19606 2281 1 10 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.518 -0.117 19606 2282 1 10 . 1 1 19 19 GLU H H 19 8.274 8.274 7.779 0.495 19606 2283 1 10 . 1 1 20 20 MET N N 20 116.057 116.057 116.363 -0.306 19606 2284 1 10 . 1 1 20 20 MET HA H 20 4.171 4.171 4.324 -0.153 19606 2285 1 10 . 1 1 20 20 MET CA C 20 56.651 56.651 55.453 1.198 19606 2286 1 10 . 1 1 20 20 MET CB C 20 34.798 34.798 33.128 1.670 19606 2287 1 10 . 1 1 20 20 MET H H 20 7.428 7.428 8.064 -0.636 19606 2288 1 10 . 1 1 21 21 GLY N N 21 104.987 104.987 104.438 0.549 19606 2289 1 10 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.854 0.003 19606 2290 1 10 . 1 1 21 21 GLY H H 21 7.655 7.655 7.714 -0.059 19606 2291 1 10 . 1 1 22 22 PHE N N 22 123.944 123.944 120.360 3.584 19606 2292 1 10 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.543 0.298 19606 2293 1 10 . 1 1 22 22 PHE CA C 22 56.627 56.627 59.477 -2.850 19606 2294 1 10 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.864 -2.455 19606 2295 1 10 . 1 1 22 22 PHE H H 22 7.893 7.893 7.291 0.602 19606 2296 1 10 . 1 1 23 23 CYS N N 23 119.030 119.030 117.811 1.219 19606 2297 1 10 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.355 -0.472 19606 2298 1 10 . 1 1 23 23 CYS CA C 23 57.848 57.848 60.265 -2.417 19606 2299 1 10 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.463 1.905 19606 2300 1 10 . 1 1 23 23 CYS H H 23 7.872 7.872 8.863 -0.991 19606 2301 1 10 . 1 1 24 24 ASP N N 24 123.683 123.683 120.907 2.776 19606 2302 1 10 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.995 -0.263 19606 2303 1 10 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.945 -1.385 19606 2304 1 10 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.309 -1.001 19606 2305 1 10 . 1 1 24 24 ASP H H 24 9.239 9.239 8.877 0.362 19606 2306 1 10 . 1 1 25 25 ARG N N 25 124.745 124.745 122.134 2.611 19606 2307 1 10 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.518 -0.518 19606 2308 1 10 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.172 1.516 19606 2309 1 10 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.735 1.514 19606 2310 1 10 . 1 1 25 25 ARG H H 25 8.311 8.311 8.642 -0.331 19606 2311 1 10 . 1 1 26 26 GLN N N 26 115.947 115.947 118.691 -2.744 19606 2312 1 10 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.119 -0.087 19606 2313 1 10 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.494 0.670 19606 2314 1 10 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.129 0.112 19606 2315 1 10 . 1 1 26 26 GLN H H 26 8.305 8.305 8.204 0.101 19606 2316 1 10 . 1 1 27 27 LEU N N 27 124.102 124.102 121.302 2.800 19606 2317 1 10 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.941 0.079 19606 2318 1 10 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.010 -0.326 19606 2319 1 10 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.699 -0.064 19606 2320 1 10 . 1 1 27 27 LEU H H 27 7.650 7.650 7.780 -0.130 19606 2321 1 10 . 1 1 28 28 ASN N N 28 117.933 117.933 117.535 0.398 19606 2322 1 10 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.261 -0.210 19606 2323 1 10 . 1 1 28 28 ASN CA C 28 55.899 55.899 56.089 -0.190 19606 2324 1 10 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.979 0.304 19606 2325 1 10 . 1 1 28 28 ASN H H 28 8.593 8.593 8.128 0.465 19606 2326 1 10 . 1 1 29 29 LEU N N 29 119.088 119.088 121.130 -2.042 19606 2327 1 10 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.159 -0.130 19606 2328 1 10 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.581 0.646 19606 2329 1 10 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.461 0.715 19606 2330 1 10 . 1 1 29 29 LEU H H 29 8.255 8.255 7.460 0.795 19606 2331 1 10 . 1 1 30 30 ARG N N 30 119.126 119.126 119.825 -0.699 19606 2332 1 10 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.095 -0.120 19606 2333 1 10 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.626 1.248 19606 2334 1 10 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.415 0.724 19606 2335 1 10 . 1 1 30 30 ARG H H 30 7.658 7.658 8.069 -0.411 19606 2336 1 10 . 1 1 31 31 LEU N N 31 119.791 119.791 120.538 -0.747 19606 2337 1 10 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.152 -0.102 19606 2338 1 10 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.020 0.571 19606 2339 1 10 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.337 1.355 19606 2340 1 10 . 1 1 31 31 LEU H H 31 8.557 8.557 8.458 0.099 19606 2341 1 10 . 1 1 32 32 LEU N N 32 121.080 121.080 120.191 0.889 19606 2342 1 10 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.810 -0.337 19606 2343 1 10 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.457 0.112 19606 2344 1 10 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.488 -0.268 19606 2345 1 10 . 1 1 32 32 LEU H H 32 8.822 8.822 7.826 0.996 19606 2346 1 10 . 1 1 33 33 LYS N N 33 116.581 116.581 116.642 -0.061 19606 2347 1 10 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.162 -0.539 19606 2348 1 10 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.812 0.856 19606 2349 1 10 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.901 0.399 19606 2350 1 10 . 1 1 33 33 LYS H H 33 7.510 7.510 7.704 -0.194 19606 2351 1 10 . 1 1 34 34 LYS N N 34 121.781 121.781 118.339 3.442 19606 2352 1 10 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.060 -0.262 19606 2353 1 10 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.263 1.046 19606 2354 1 10 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.582 0.939 19606 2355 1 10 . 1 1 34 34 LYS H H 34 7.915 7.915 7.376 0.539 19606 2356 1 10 . 1 1 35 35 HIS N N 35 113.017 113.017 113.757 -0.740 19606 2357 1 10 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.658 0.120 19606 2358 1 10 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.964 -0.427 19606 2359 1 10 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.732 0.490 19606 2360 1 10 . 1 1 35 35 HIS H H 35 7.662 7.662 7.892 -0.230 19606 2361 1 10 . 1 1 36 36 ASN N N 36 119.419 119.419 116.235 3.184 19606 2362 1 10 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.449 -0.194 19606 2363 1 10 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.106 0.958 19606 2364 1 10 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.209 0.994 19606 2365 1 10 . 1 1 36 36 ASN H H 36 7.781 7.781 7.964 -0.183 19606 2366 1 10 . 1 1 37 37 TYR N N 37 107.213 107.213 112.228 -5.015 19606 2367 1 10 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.100 0.109 19606 2368 1 10 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.670 1.138 19606 2369 1 10 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.165 -2.211 19606 2370 1 10 . 1 1 37 37 TYR H H 37 9.103 9.103 8.715 0.388 19606 2371 1 10 . 1 1 38 38 ASN N N 38 116.482 116.482 118.518 -2.036 19606 2372 1 10 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.993 -0.178 19606 2373 1 10 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.503 1.175 19606 2374 1 10 . 1 1 38 38 ASN CB C 38 38.481 38.481 39.033 -0.552 19606 2375 1 10 . 1 1 38 38 ASN H H 38 7.249 7.249 7.963 -0.714 19606 2376 1 10 . 1 1 39 39 ILE N N 39 126.777 126.777 125.281 1.496 19606 2377 1 10 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.673 0.102 19606 2378 1 10 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.433 -0.421 19606 2379 1 10 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.294 0.143 19606 2380 1 10 . 1 1 39 39 ILE H H 39 8.568 8.568 8.566 0.002 19606 2381 1 10 . 1 1 40 40 LEU N N 40 122.044 122.044 117.570 4.474 19606 2382 1 10 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.828 0.190 19606 2383 1 10 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.094 0.106 19606 2384 1 10 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.030 -0.331 19606 2385 1 10 . 1 1 40 40 LEU H H 40 7.993 7.993 7.953 0.040 19606 2386 1 10 . 1 1 41 41 GLN N N 41 119.421 119.421 116.727 2.694 19606 2387 1 10 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.920 -0.164 19606 2388 1 10 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.679 0.639 19606 2389 1 10 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.566 0.538 19606 2390 1 10 . 1 1 41 41 GLN H H 41 7.555 7.555 7.531 0.024 19606 2391 1 10 . 1 1 42 42 VAL N N 42 119.806 119.806 120.886 -1.080 19606 2392 1 10 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.629 -0.437 19606 2393 1 10 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.945 0.409 19606 2394 1 10 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.490 0.055 19606 2395 1 10 . 1 1 42 42 VAL H H 42 7.454 7.454 8.087 -0.633 19606 2396 1 10 . 1 1 43 43 VAL N N 43 118.511 118.511 118.664 -0.153 19606 2397 1 10 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.542 -0.402 19606 2398 1 10 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.045 -0.077 19606 2399 1 10 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.527 0.239 19606 2400 1 10 . 1 1 43 43 VAL H H 43 8.396 8.396 8.490 -0.094 19606 2401 1 10 . 1 1 44 44 THR N N 44 114.155 114.155 115.358 -1.203 19606 2402 1 10 . 1 1 44 44 THR HA H 44 3.673 3.673 3.934 -0.261 19606 2403 1 10 . 1 1 44 44 THR CA C 44 67.784 67.784 67.218 0.566 19606 2404 1 10 . 1 1 44 44 THR CB C 44 68.711 68.711 68.315 0.396 19606 2405 1 10 . 1 1 44 44 THR H H 44 7.767 7.767 7.475 0.292 19606 2406 1 10 . 1 1 45 45 GLU N N 45 121.134 121.134 122.774 -1.640 19606 2407 1 10 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.133 -0.091 19606 2408 1 10 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.509 0.726 19606 2409 1 10 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.524 -0.922 19606 2410 1 10 . 1 1 45 45 GLU H H 45 7.326 7.326 7.561 -0.235 19606 2411 1 10 . 1 1 46 46 LEU N N 46 120.965 120.965 120.165 0.800 19606 2412 1 10 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.760 -0.010 19606 2413 1 10 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.642 0.665 19606 2414 1 10 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.678 0.838 19606 2415 1 10 . 1 1 46 46 LEU H H 46 8.362 8.362 7.729 0.633 19606 2416 1 10 . 1 1 47 47 LEU N N 47 118.138 118.138 118.804 -0.666 19606 2417 1 10 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.198 -0.014 19606 2418 1 10 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.081 -0.854 19606 2419 1 10 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.660 0.457 19606 2420 1 10 . 1 1 47 47 LEU H H 47 8.200 8.200 7.757 0.443 19606 2421 1 10 . 1 1 48 48 GLN N N 48 118.147 118.147 117.649 0.498 19606 2422 1 10 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.958 0.238 19606 2423 1 10 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.788 -1.267 19606 2424 1 10 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.811 -0.310 19606 2425 1 10 . 1 1 48 48 GLN H H 48 7.643 7.643 7.771 -0.128 19606 2426 1 10 . 1 1 49 49 LEU N N 49 119.709 119.709 120.749 -1.040 19606 2427 1 10 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.041 0.185 19606 2428 1 10 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.768 -1.432 19606 2429 1 10 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.845 0.488 19606 2430 1 10 . 1 1 49 49 LEU H H 49 7.966 7.966 8.625 -0.659 19606 2431 1 10 . 1 1 50 50 ASN N N 50 117.058 117.058 116.952 0.106 19606 2432 1 10 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.547 0.184 19606 2433 1 10 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.186 -1.515 19606 2434 1 10 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.386 0.805 19606 2435 1 10 . 1 1 50 50 ASN H H 50 7.930 7.930 7.879 0.051 19606 2436 1 10 . 1 1 51 51 ASN N N 51 119.097 119.097 117.325 1.772 19606 2437 1 10 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.676 0.130 19606 2438 1 10 . 1 1 51 51 ASN CA C 51 53.435 53.435 53.929 -0.494 19606 2439 1 10 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.167 0.008 19606 2440 1 10 . 1 1 51 51 ASN H H 51 8.114 8.114 8.170 -0.056 19606 2441 1 11 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.480 0.249 19606 2442 1 11 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.393 -0.242 19606 2443 1 11 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.310 0.047 19606 2444 1 11 . 1 1 3 3 LEU N N 3 122.408 122.408 122.262 0.146 19606 2445 1 11 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.524 -0.168 19606 2446 1 11 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.530 0.902 19606 2447 1 11 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.887 -0.573 19606 2448 1 11 . 1 1 3 3 LEU H H 3 8.542 8.542 7.593 0.949 19606 2449 1 11 . 1 1 4 4 GLY N N 4 109.946 109.946 112.663 -2.717 19606 2450 1 11 . 1 1 4 4 GLY CA C 4 45.294 45.294 45.007 0.287 19606 2451 1 11 . 1 1 4 4 GLY H H 4 8.406 8.406 8.583 -0.177 19606 2452 1 11 . 1 1 5 5 SER N N 5 115.532 115.532 120.673 -5.141 19606 2453 1 11 . 1 1 5 5 SER HA H 5 4.501 4.501 4.520 -0.019 19606 2454 1 11 . 1 1 5 5 SER CA C 5 58.036 58.036 58.389 -0.353 19606 2455 1 11 . 1 1 5 5 SER CB C 5 64.169 64.169 62.754 1.415 19606 2456 1 11 . 1 1 5 5 SER H H 5 8.216 8.216 8.528 -0.312 19606 2457 1 11 . 1 1 6 6 SER N N 6 117.955 117.955 119.694 -1.739 19606 2458 1 11 . 1 1 6 6 SER HA H 6 4.420 4.420 4.584 -0.164 19606 2459 1 11 . 1 1 6 6 SER CA C 6 58.902 58.902 57.734 1.168 19606 2460 1 11 . 1 1 6 6 SER CB C 6 63.798 63.798 64.385 -0.587 19606 2461 1 11 . 1 1 6 6 SER H H 6 8.460 8.460 8.150 0.310 19606 2462 1 11 . 1 1 7 7 GLU N N 7 122.747 122.747 127.865 -5.118 19606 2463 1 11 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.138 -0.113 19606 2464 1 11 . 1 1 7 7 GLU CA C 7 58.068 58.068 59.450 -1.382 19606 2465 1 11 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.714 0.039 19606 2466 1 11 . 1 1 7 7 GLU H H 7 8.550 8.550 9.058 -0.508 19606 2467 1 11 . 1 1 8 8 ASP N N 8 120.868 120.868 120.051 0.817 19606 2468 1 11 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.334 0.161 19606 2469 1 11 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.803 -1.213 19606 2470 1 11 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.101 0.561 19606 2471 1 11 . 1 1 8 8 ASP H H 8 8.293 8.293 7.908 0.385 19606 2472 1 11 . 1 1 9 9 GLN N N 9 121.706 121.706 118.986 2.720 19606 2473 1 11 . 1 1 9 9 GLN HA H 9 4.335 4.335 3.959 0.376 19606 2474 1 11 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.811 -1.318 19606 2475 1 11 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.068 0.671 19606 2476 1 11 . 1 1 9 9 GLN H H 9 8.290 8.290 8.392 -0.102 19606 2477 1 11 . 1 1 10 10 THR N N 10 115.700 115.700 117.369 -1.669 19606 2478 1 11 . 1 1 10 10 THR HA H 10 3.802 3.802 3.774 0.028 19606 2479 1 11 . 1 1 10 10 THR CA C 10 67.728 67.728 66.049 1.679 19606 2480 1 11 . 1 1 10 10 THR CB C 10 68.615 68.615 68.314 0.301 19606 2481 1 11 . 1 1 10 10 THR H H 10 8.193 8.193 8.115 0.078 19606 2482 1 11 . 1 1 11 11 ALA N N 11 123.074 123.074 122.567 0.507 19606 2483 1 11 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.045 -0.016 19606 2484 1 11 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.825 0.860 19606 2485 1 11 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.051 -0.086 19606 2486 1 11 . 1 1 11 11 ALA H H 11 8.242 8.242 7.800 0.442 19606 2487 1 11 . 1 1 12 12 ALA N N 12 121.630 121.630 120.778 0.852 19606 2488 1 11 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.033 0.141 19606 2489 1 11 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.371 0.591 19606 2490 1 11 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.337 -0.128 19606 2491 1 11 . 1 1 12 12 ALA H H 12 7.994 7.994 7.377 0.617 19606 2492 1 11 . 1 1 13 13 LEU N N 13 118.959 118.959 118.388 0.571 19606 2493 1 11 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.495 0.685 19606 2494 1 11 . 1 1 13 13 LEU CA C 13 58.084 58.084 56.855 1.228 19606 2495 1 11 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.517 0.621 19606 2496 1 11 . 1 1 13 13 LEU H H 13 8.084 8.084 7.187 0.897 19606 2497 1 11 . 1 1 14 14 MET N N 14 118.344 118.344 116.793 1.551 19606 2498 1 11 . 1 1 14 14 MET HA H 14 4.251 4.251 3.621 0.630 19606 2499 1 11 . 1 1 14 14 MET CA C 14 57.168 57.168 58.715 -1.547 19606 2500 1 11 . 1 1 14 14 MET CB C 14 30.824 30.824 32.135 -1.311 19606 2501 1 11 . 1 1 14 14 MET H H 14 8.735 8.735 8.240 0.495 19606 2502 1 11 . 1 1 15 15 ALA N N 15 121.078 121.078 120.579 0.499 19606 2503 1 11 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.171 -0.039 19606 2504 1 11 . 1 1 15 15 ALA CA C 15 55.284 55.284 55.145 0.139 19606 2505 1 11 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.963 -0.112 19606 2506 1 11 . 1 1 15 15 ALA H H 15 7.934 7.934 7.515 0.419 19606 2507 1 11 . 1 1 16 16 HIS N N 16 117.529 117.529 116.695 0.834 19606 2508 1 11 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.287 0.253 19606 2509 1 11 . 1 1 16 16 HIS CA C 16 58.801 58.801 58.231 0.570 19606 2510 1 11 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.002 0.587 19606 2511 1 11 . 1 1 16 16 HIS H H 16 7.779 7.779 7.319 0.460 19606 2512 1 11 . 1 1 17 17 LEU N N 17 118.416 118.416 118.249 0.167 19606 2513 1 11 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.367 -0.174 19606 2514 1 11 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.998 0.665 19606 2515 1 11 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.798 -0.762 19606 2516 1 11 . 1 1 17 17 LEU H H 17 8.108 8.108 7.247 0.861 19606 2517 1 11 . 1 1 18 18 PHE N N 18 120.735 120.735 117.987 2.748 19606 2518 1 11 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.238 -0.000 19606 2519 1 11 . 1 1 18 18 PHE CA C 18 60.141 60.141 58.892 1.249 19606 2520 1 11 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.445 1.041 19606 2521 1 11 . 1 1 18 18 PHE H H 18 8.671 8.671 7.348 1.323 19606 2522 1 11 . 1 1 19 19 GLU N N 19 120.792 120.792 118.234 2.558 19606 2523 1 11 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.156 -0.108 19606 2524 1 11 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.665 0.330 19606 2525 1 11 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.497 -0.096 19606 2526 1 11 . 1 1 19 19 GLU H H 19 8.274 8.274 7.894 0.380 19606 2527 1 11 . 1 1 20 20 MET N N 20 116.057 116.057 115.903 0.154 19606 2528 1 11 . 1 1 20 20 MET HA H 20 4.171 4.171 4.403 -0.232 19606 2529 1 11 . 1 1 20 20 MET CA C 20 56.651 56.651 55.710 0.941 19606 2530 1 11 . 1 1 20 20 MET CB C 20 34.798 34.798 33.489 1.309 19606 2531 1 11 . 1 1 20 20 MET H H 20 7.428 7.428 8.218 -0.790 19606 2532 1 11 . 1 1 21 21 GLY N N 21 104.987 104.987 104.897 0.090 19606 2533 1 11 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.812 0.045 19606 2534 1 11 . 1 1 21 21 GLY H H 21 7.655 7.655 7.781 -0.126 19606 2535 1 11 . 1 1 22 22 PHE N N 22 123.944 123.944 120.574 3.370 19606 2536 1 11 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.238 0.603 19606 2537 1 11 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.910 -5.283 19606 2538 1 11 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.367 -1.958 19606 2539 1 11 . 1 1 22 22 PHE H H 22 7.893 7.893 7.335 0.558 19606 2540 1 11 . 1 1 23 23 CYS N N 23 119.030 119.030 115.456 3.574 19606 2541 1 11 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.259 -0.376 19606 2542 1 11 . 1 1 23 23 CYS CA C 23 57.848 57.848 60.219 -2.371 19606 2543 1 11 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.147 2.221 19606 2544 1 11 . 1 1 23 23 CYS H H 23 7.872 7.872 8.853 -0.981 19606 2545 1 11 . 1 1 24 24 ASP N N 24 123.683 123.683 119.677 4.006 19606 2546 1 11 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.992 -0.260 19606 2547 1 11 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.859 -1.299 19606 2548 1 11 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.620 -1.312 19606 2549 1 11 . 1 1 24 24 ASP H H 24 9.239 9.239 8.577 0.662 19606 2550 1 11 . 1 1 25 25 ARG N N 25 124.745 124.745 123.587 1.158 19606 2551 1 11 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.140 -0.140 19606 2552 1 11 . 1 1 25 25 ARG CA C 25 60.689 60.689 58.968 1.721 19606 2553 1 11 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.677 1.572 19606 2554 1 11 . 1 1 25 25 ARG H H 25 8.311 8.311 8.648 -0.337 19606 2555 1 11 . 1 1 26 26 GLN N N 26 115.947 115.947 118.373 -2.426 19606 2556 1 11 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.166 -0.134 19606 2557 1 11 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.915 0.249 19606 2558 1 11 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.196 0.045 19606 2559 1 11 . 1 1 26 26 GLN H H 26 8.305 8.305 8.530 -0.225 19606 2560 1 11 . 1 1 27 27 LEU N N 27 124.102 124.102 121.854 2.248 19606 2561 1 11 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.994 0.026 19606 2562 1 11 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.963 -0.279 19606 2563 1 11 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.150 0.485 19606 2564 1 11 . 1 1 27 27 LEU H H 27 7.650 7.650 8.226 -0.576 19606 2565 1 11 . 1 1 28 28 ASN N N 28 117.933 117.933 116.782 1.151 19606 2566 1 11 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.259 -0.208 19606 2567 1 11 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.945 -0.046 19606 2568 1 11 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.932 0.351 19606 2569 1 11 . 1 1 28 28 ASN H H 28 8.593 8.593 8.135 0.458 19606 2570 1 11 . 1 1 29 29 LEU N N 29 119.088 119.088 121.491 -2.403 19606 2571 1 11 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.157 -0.128 19606 2572 1 11 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.819 0.408 19606 2573 1 11 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.450 0.725 19606 2574 1 11 . 1 1 29 29 LEU H H 29 8.255 8.255 7.494 0.761 19606 2575 1 11 . 1 1 30 30 ARG N N 30 119.126 119.126 119.556 -0.430 19606 2576 1 11 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.114 -0.139 19606 2577 1 11 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.540 1.334 19606 2578 1 11 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.442 0.697 19606 2579 1 11 . 1 1 30 30 ARG H H 30 7.658 7.658 7.955 -0.297 19606 2580 1 11 . 1 1 31 31 LEU N N 31 119.791 119.791 120.696 -0.905 19606 2581 1 11 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.105 -0.055 19606 2582 1 11 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.486 0.104 19606 2583 1 11 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.221 1.471 19606 2584 1 11 . 1 1 31 31 LEU H H 31 8.557 8.557 8.462 0.095 19606 2585 1 11 . 1 1 32 32 LEU N N 32 121.080 121.080 120.024 1.056 19606 2586 1 11 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.822 -0.349 19606 2587 1 11 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.467 0.103 19606 2588 1 11 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.500 -0.280 19606 2589 1 11 . 1 1 32 32 LEU H H 32 8.822 8.822 8.049 0.773 19606 2590 1 11 . 1 1 33 33 LYS N N 33 116.581 116.581 116.397 0.184 19606 2591 1 11 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.166 -0.543 19606 2592 1 11 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.623 1.046 19606 2593 1 11 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.863 0.436 19606 2594 1 11 . 1 1 33 33 LYS H H 33 7.510 7.510 7.641 -0.131 19606 2595 1 11 . 1 1 34 34 LYS N N 34 121.781 121.781 118.739 3.042 19606 2596 1 11 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.079 -0.281 19606 2597 1 11 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.186 1.123 19606 2598 1 11 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.461 1.060 19606 2599 1 11 . 1 1 34 34 LYS H H 34 7.915 7.915 7.638 0.277 19606 2600 1 11 . 1 1 35 35 HIS N N 35 113.017 113.017 114.242 -1.225 19606 2601 1 11 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.612 0.166 19606 2602 1 11 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.204 -0.667 19606 2603 1 11 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.953 0.269 19606 2604 1 11 . 1 1 35 35 HIS H H 35 7.662 7.662 8.030 -0.368 19606 2605 1 11 . 1 1 36 36 ASN N N 36 119.419 119.419 116.362 3.057 19606 2606 1 11 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.429 -0.174 19606 2607 1 11 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.210 0.854 19606 2608 1 11 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.885 1.318 19606 2609 1 11 . 1 1 36 36 ASN H H 36 7.781 7.781 7.945 -0.164 19606 2610 1 11 . 1 1 37 37 TYR N N 37 107.213 107.213 113.365 -6.152 19606 2611 1 11 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.052 0.157 19606 2612 1 11 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.705 1.103 19606 2613 1 11 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.010 -2.056 19606 2614 1 11 . 1 1 37 37 TYR H H 37 9.103 9.103 8.899 0.204 19606 2615 1 11 . 1 1 38 38 ASN N N 38 116.482 116.482 118.466 -1.984 19606 2616 1 11 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.985 -0.170 19606 2617 1 11 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.586 1.092 19606 2618 1 11 . 1 1 38 38 ASN CB C 38 38.481 38.481 39.028 -0.547 19606 2619 1 11 . 1 1 38 38 ASN H H 38 7.249 7.249 8.045 -0.796 19606 2620 1 11 . 1 1 39 39 ILE N N 39 126.777 126.777 125.072 1.705 19606 2621 1 11 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.653 0.122 19606 2622 1 11 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.481 -0.469 19606 2623 1 11 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.248 0.189 19606 2624 1 11 . 1 1 39 39 ILE H H 39 8.568 8.568 8.549 0.019 19606 2625 1 11 . 1 1 40 40 LEU N N 40 122.044 122.044 117.704 4.340 19606 2626 1 11 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.862 0.156 19606 2627 1 11 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.164 0.036 19606 2628 1 11 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.051 -0.352 19606 2629 1 11 . 1 1 40 40 LEU H H 40 7.993 7.993 7.960 0.033 19606 2630 1 11 . 1 1 41 41 GLN N N 41 119.421 119.421 116.778 2.643 19606 2631 1 11 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.913 -0.157 19606 2632 1 11 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.827 0.491 19606 2633 1 11 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.489 0.615 19606 2634 1 11 . 1 1 41 41 GLN H H 41 7.555 7.555 7.479 0.076 19606 2635 1 11 . 1 1 42 42 VAL N N 42 119.806 119.806 122.000 -2.194 19606 2636 1 11 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.763 -0.571 19606 2637 1 11 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.403 1.951 19606 2638 1 11 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.985 0.560 19606 2639 1 11 . 1 1 42 42 VAL H H 42 7.454 7.454 8.203 -0.749 19606 2640 1 11 . 1 1 43 43 VAL N N 43 118.511 118.511 118.446 0.065 19606 2641 1 11 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.318 -0.178 19606 2642 1 11 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.526 0.442 19606 2643 1 11 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.023 0.744 19606 2644 1 11 . 1 1 43 43 VAL H H 43 8.396 8.396 8.401 -0.005 19606 2645 1 11 . 1 1 44 44 THR N N 44 114.155 114.155 116.076 -1.921 19606 2646 1 11 . 1 1 44 44 THR HA H 44 3.673 3.673 3.945 -0.272 19606 2647 1 11 . 1 1 44 44 THR CA C 44 67.784 67.784 67.299 0.485 19606 2648 1 11 . 1 1 44 44 THR CB C 44 68.711 68.711 68.437 0.274 19606 2649 1 11 . 1 1 44 44 THR H H 44 7.767 7.767 7.493 0.274 19606 2650 1 11 . 1 1 45 45 GLU N N 45 121.134 121.134 121.936 -0.802 19606 2651 1 11 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.129 -0.087 19606 2652 1 11 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.327 0.908 19606 2653 1 11 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.341 -0.739 19606 2654 1 11 . 1 1 45 45 GLU H H 45 7.326 7.326 7.762 -0.436 19606 2655 1 11 . 1 1 46 46 LEU N N 46 120.965 120.965 119.226 1.739 19606 2656 1 11 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.939 -0.189 19606 2657 1 11 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.379 0.928 19606 2658 1 11 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.834 0.682 19606 2659 1 11 . 1 1 46 46 LEU H H 46 8.362 8.362 7.753 0.609 19606 2660 1 11 . 1 1 47 47 LEU N N 47 118.138 118.138 120.057 -1.919 19606 2661 1 11 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.227 -0.043 19606 2662 1 11 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.215 -0.988 19606 2663 1 11 . 1 1 47 47 LEU CB C 47 42.117 42.117 42.126 -0.009 19606 2664 1 11 . 1 1 47 47 LEU H H 47 8.200 8.200 7.617 0.583 19606 2665 1 11 . 1 1 48 48 GLN N N 48 118.147 118.147 117.453 0.694 19606 2666 1 11 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.039 0.157 19606 2667 1 11 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.343 -0.822 19606 2668 1 11 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.523 -0.023 19606 2669 1 11 . 1 1 48 48 GLN H H 48 7.643 7.643 7.702 -0.059 19606 2670 1 11 . 1 1 49 49 LEU N N 49 119.709 119.709 120.978 -1.269 19606 2671 1 11 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.098 0.128 19606 2672 1 11 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.432 -1.096 19606 2673 1 11 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.130 0.203 19606 2674 1 11 . 1 1 49 49 LEU H H 49 7.966 7.966 8.579 -0.613 19606 2675 1 11 . 1 1 50 50 ASN N N 50 117.058 117.058 114.102 2.956 19606 2676 1 11 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.839 -0.108 19606 2677 1 11 . 1 1 50 50 ASN CA C 50 53.671 53.671 52.004 1.667 19606 2678 1 11 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.410 0.781 19606 2679 1 11 . 1 1 50 50 ASN H H 50 7.930 7.930 7.746 0.184 19606 2680 1 11 . 1 1 51 51 ASN N N 51 119.097 119.097 118.084 1.013 19606 2681 1 11 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.570 0.236 19606 2682 1 11 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.339 -1.904 19606 2683 1 11 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.296 0.879 19606 2684 1 11 . 1 1 51 51 ASN H H 51 8.114 8.114 7.959 0.155 19606 2685 1 12 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.385 0.344 19606 2686 1 12 . 1 1 2 2 PRO CA C 2 63.151 63.151 64.058 -0.907 19606 2687 1 12 . 1 1 2 2 PRO CB C 2 32.357 32.357 31.847 0.510 19606 2688 1 12 . 1 1 3 3 LEU N N 3 122.408 122.408 115.490 6.918 19606 2689 1 12 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.238 0.118 19606 2690 1 12 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.637 -0.205 19606 2691 1 12 . 1 1 3 3 LEU CB C 3 42.314 42.314 41.423 0.891 19606 2692 1 12 . 1 1 3 3 LEU H H 3 8.542 8.542 7.934 0.608 19606 2693 1 12 . 1 1 4 4 GLY N N 4 109.946 109.946 108.778 1.168 19606 2694 1 12 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.586 0.708 19606 2695 1 12 . 1 1 4 4 GLY H H 4 8.406 8.406 7.888 0.518 19606 2696 1 12 . 1 1 5 5 SER N N 5 115.532 115.532 113.410 2.122 19606 2697 1 12 . 1 1 5 5 SER HA H 5 4.501 4.501 4.606 -0.105 19606 2698 1 12 . 1 1 5 5 SER CA C 5 58.036 58.036 58.465 -0.429 19606 2699 1 12 . 1 1 5 5 SER CB C 5 64.169 64.169 64.813 -0.644 19606 2700 1 12 . 1 1 5 5 SER H H 5 8.216 8.216 8.228 -0.012 19606 2701 1 12 . 1 1 6 6 SER N N 6 117.955 117.955 117.575 0.380 19606 2702 1 12 . 1 1 6 6 SER HA H 6 4.420 4.420 4.632 -0.212 19606 2703 1 12 . 1 1 6 6 SER CA C 6 58.902 58.902 58.290 0.612 19606 2704 1 12 . 1 1 6 6 SER CB C 6 63.798 63.798 65.376 -1.578 19606 2705 1 12 . 1 1 6 6 SER H H 6 8.460 8.460 7.931 0.529 19606 2706 1 12 . 1 1 7 7 GLU N N 7 122.747 122.747 123.426 -0.679 19606 2707 1 12 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.135 -0.110 19606 2708 1 12 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.448 -0.380 19606 2709 1 12 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.123 -0.370 19606 2710 1 12 . 1 1 7 7 GLU H H 7 8.550 8.550 8.873 -0.323 19606 2711 1 12 . 1 1 8 8 ASP N N 8 120.868 120.868 118.838 2.030 19606 2712 1 12 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.327 0.168 19606 2713 1 12 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.827 -1.237 19606 2714 1 12 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.195 0.467 19606 2715 1 12 . 1 1 8 8 ASP H H 8 8.293 8.293 8.593 -0.300 19606 2716 1 12 . 1 1 9 9 GLN N N 9 121.706 121.706 118.983 2.723 19606 2717 1 12 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.107 0.228 19606 2718 1 12 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.552 -1.059 19606 2719 1 12 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.255 0.484 19606 2720 1 12 . 1 1 9 9 GLN H H 9 8.290 8.290 8.528 -0.238 19606 2721 1 12 . 1 1 10 10 THR N N 10 115.700 115.700 117.073 -1.373 19606 2722 1 12 . 1 1 10 10 THR HA H 10 3.802 3.802 3.757 0.045 19606 2723 1 12 . 1 1 10 10 THR CA C 10 67.728 67.728 66.583 1.145 19606 2724 1 12 . 1 1 10 10 THR CB C 10 68.615 68.615 68.194 0.421 19606 2725 1 12 . 1 1 10 10 THR H H 10 8.193 8.193 7.710 0.483 19606 2726 1 12 . 1 1 11 11 ALA N N 11 123.074 123.074 121.789 1.285 19606 2727 1 12 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.030 -0.001 19606 2728 1 12 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.797 0.888 19606 2729 1 12 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.049 -0.084 19606 2730 1 12 . 1 1 11 11 ALA H H 11 8.242 8.242 7.632 0.610 19606 2731 1 12 . 1 1 12 12 ALA N N 12 121.630 121.630 119.775 1.855 19606 2732 1 12 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.049 0.125 19606 2733 1 12 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.178 0.784 19606 2734 1 12 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.416 -0.207 19606 2735 1 12 . 1 1 12 12 ALA H H 12 7.994 7.994 7.542 0.452 19606 2736 1 12 . 1 1 13 13 LEU N N 13 118.959 118.959 119.115 -0.156 19606 2737 1 12 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.665 0.515 19606 2738 1 12 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.133 0.951 19606 2739 1 12 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.822 0.316 19606 2740 1 12 . 1 1 13 13 LEU H H 13 8.084 8.084 7.429 0.655 19606 2741 1 12 . 1 1 14 14 MET N N 14 118.344 118.344 114.831 3.513 19606 2742 1 12 . 1 1 14 14 MET HA H 14 4.251 4.251 3.666 0.585 19606 2743 1 12 . 1 1 14 14 MET CA C 14 57.168 57.168 58.386 -1.218 19606 2744 1 12 . 1 1 14 14 MET CB C 14 30.824 30.824 31.595 -0.771 19606 2745 1 12 . 1 1 14 14 MET H H 14 8.735 8.735 8.336 0.399 19606 2746 1 12 . 1 1 15 15 ALA N N 15 121.078 121.078 120.922 0.156 19606 2747 1 12 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.215 -0.083 19606 2748 1 12 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.671 0.613 19606 2749 1 12 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.976 -0.125 19606 2750 1 12 . 1 1 15 15 ALA H H 15 7.934 7.934 7.659 0.275 19606 2751 1 12 . 1 1 16 16 HIS N N 16 117.529 117.529 116.418 1.111 19606 2752 1 12 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.556 -0.016 19606 2753 1 12 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.437 1.364 19606 2754 1 12 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.233 0.357 19606 2755 1 12 . 1 1 16 16 HIS H H 16 7.779 7.779 7.610 0.169 19606 2756 1 12 . 1 1 17 17 LEU N N 17 118.416 118.416 118.832 -0.416 19606 2757 1 12 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.317 -0.124 19606 2758 1 12 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.032 0.631 19606 2759 1 12 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.871 -0.835 19606 2760 1 12 . 1 1 17 17 LEU H H 17 8.108 8.108 7.114 0.994 19606 2761 1 12 . 1 1 18 18 PHE N N 18 120.735 120.735 118.525 2.210 19606 2762 1 12 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.190 0.048 19606 2763 1 12 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.551 0.590 19606 2764 1 12 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.566 0.921 19606 2765 1 12 . 1 1 18 18 PHE H H 18 8.671 8.671 7.489 1.182 19606 2766 1 12 . 1 1 19 19 GLU N N 19 120.792 120.792 118.409 2.383 19606 2767 1 12 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.095 -0.047 19606 2768 1 12 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.615 0.380 19606 2769 1 12 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.561 -0.160 19606 2770 1 12 . 1 1 19 19 GLU H H 19 8.274 8.274 7.784 0.490 19606 2771 1 12 . 1 1 20 20 MET N N 20 116.057 116.057 116.392 -0.335 19606 2772 1 12 . 1 1 20 20 MET HA H 20 4.171 4.171 4.318 -0.147 19606 2773 1 12 . 1 1 20 20 MET CA C 20 56.651 56.651 55.682 0.969 19606 2774 1 12 . 1 1 20 20 MET CB C 20 34.798 34.798 33.235 1.563 19606 2775 1 12 . 1 1 20 20 MET H H 20 7.428 7.428 7.980 -0.552 19606 2776 1 12 . 1 1 21 21 GLY N N 21 104.987 104.987 104.440 0.547 19606 2777 1 12 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.852 0.004 19606 2778 1 12 . 1 1 21 21 GLY H H 21 7.655 7.655 7.638 0.017 19606 2779 1 12 . 1 1 22 22 PHE N N 22 123.944 123.944 119.749 4.195 19606 2780 1 12 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.459 0.382 19606 2781 1 12 . 1 1 22 22 PHE CA C 22 56.627 56.627 59.997 -3.370 19606 2782 1 12 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.926 -2.517 19606 2783 1 12 . 1 1 22 22 PHE H H 22 7.893 7.893 7.383 0.510 19606 2784 1 12 . 1 1 23 23 CYS N N 23 119.030 119.030 117.767 1.263 19606 2785 1 12 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.321 -0.438 19606 2786 1 12 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.439 -1.591 19606 2787 1 12 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.226 2.142 19606 2788 1 12 . 1 1 23 23 CYS H H 23 7.872 7.872 8.732 -0.860 19606 2789 1 12 . 1 1 24 24 ASP N N 24 123.683 123.683 119.964 3.719 19606 2790 1 12 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.936 -0.204 19606 2791 1 12 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.893 -1.333 19606 2792 1 12 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.980 -1.672 19606 2793 1 12 . 1 1 24 24 ASP H H 24 9.239 9.239 8.589 0.650 19606 2794 1 12 . 1 1 25 25 ARG N N 25 124.745 124.745 123.956 0.789 19606 2795 1 12 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.286 -0.286 19606 2796 1 12 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.204 1.485 19606 2797 1 12 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.426 1.823 19606 2798 1 12 . 1 1 25 25 ARG H H 25 8.311 8.311 8.855 -0.544 19606 2799 1 12 . 1 1 26 26 GLN N N 26 115.947 115.947 118.292 -2.345 19606 2800 1 12 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.167 -0.135 19606 2801 1 12 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.724 0.440 19606 2802 1 12 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.192 0.049 19606 2803 1 12 . 1 1 26 26 GLN H H 26 8.305 8.305 8.479 -0.174 19606 2804 1 12 . 1 1 27 27 LEU N N 27 124.102 124.102 121.487 2.615 19606 2805 1 12 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.967 0.053 19606 2806 1 12 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.101 -0.417 19606 2807 1 12 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.333 0.302 19606 2808 1 12 . 1 1 27 27 LEU H H 27 7.650 7.650 7.606 0.044 19606 2809 1 12 . 1 1 28 28 ASN N N 28 117.933 117.933 116.771 1.162 19606 2810 1 12 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.267 -0.216 19606 2811 1 12 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.976 -0.077 19606 2812 1 12 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.967 0.317 19606 2813 1 12 . 1 1 28 28 ASN H H 28 8.593 8.593 8.056 0.537 19606 2814 1 12 . 1 1 29 29 LEU N N 29 119.088 119.088 121.542 -2.454 19606 2815 1 12 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.168 -0.139 19606 2816 1 12 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.809 0.418 19606 2817 1 12 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.459 0.717 19606 2818 1 12 . 1 1 29 29 LEU H H 29 8.255 8.255 7.520 0.735 19606 2819 1 12 . 1 1 30 30 ARG N N 30 119.126 119.126 119.609 -0.483 19606 2820 1 12 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.111 -0.136 19606 2821 1 12 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.554 1.319 19606 2822 1 12 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.437 0.702 19606 2823 1 12 . 1 1 30 30 ARG H H 30 7.658 7.658 8.001 -0.343 19606 2824 1 12 . 1 1 31 31 LEU N N 31 119.791 119.791 120.756 -0.965 19606 2825 1 12 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.104 -0.054 19606 2826 1 12 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.211 0.380 19606 2827 1 12 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.321 1.371 19606 2828 1 12 . 1 1 31 31 LEU H H 31 8.557 8.557 8.438 0.119 19606 2829 1 12 . 1 1 32 32 LEU N N 32 121.080 121.080 120.047 1.033 19606 2830 1 12 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.806 -0.333 19606 2831 1 12 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.494 0.075 19606 2832 1 12 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.514 -0.294 19606 2833 1 12 . 1 1 32 32 LEU H H 32 8.822 8.822 7.962 0.860 19606 2834 1 12 . 1 1 33 33 LYS N N 33 116.581 116.581 116.711 -0.130 19606 2835 1 12 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.148 -0.525 19606 2836 1 12 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.896 0.773 19606 2837 1 12 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.950 0.349 19606 2838 1 12 . 1 1 33 33 LYS H H 33 7.510 7.510 7.611 -0.101 19606 2839 1 12 . 1 1 34 34 LYS N N 34 121.781 121.781 118.681 3.100 19606 2840 1 12 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.055 -0.257 19606 2841 1 12 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.240 1.069 19606 2842 1 12 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.452 1.069 19606 2843 1 12 . 1 1 34 34 LYS H H 34 7.915 7.915 7.305 0.610 19606 2844 1 12 . 1 1 35 35 HIS N N 35 113.017 113.017 113.937 -0.920 19606 2845 1 12 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.655 0.123 19606 2846 1 12 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.959 -0.422 19606 2847 1 12 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.654 0.568 19606 2848 1 12 . 1 1 35 35 HIS H H 35 7.662 7.662 7.973 -0.311 19606 2849 1 12 . 1 1 36 36 ASN N N 36 119.419 119.419 116.205 3.214 19606 2850 1 12 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.438 -0.183 19606 2851 1 12 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.019 1.045 19606 2852 1 12 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.251 0.952 19606 2853 1 12 . 1 1 36 36 ASN H H 36 7.781 7.781 7.927 -0.146 19606 2854 1 12 . 1 1 37 37 TYR N N 37 107.213 107.213 112.242 -5.029 19606 2855 1 12 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.098 0.111 19606 2856 1 12 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.407 1.401 19606 2857 1 12 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.251 -2.297 19606 2858 1 12 . 1 1 37 37 TYR H H 37 9.103 9.103 8.812 0.291 19606 2859 1 12 . 1 1 38 38 ASN N N 38 116.482 116.482 119.288 -2.806 19606 2860 1 12 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.990 -0.175 19606 2861 1 12 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.595 1.083 19606 2862 1 12 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.569 -0.088 19606 2863 1 12 . 1 1 38 38 ASN H H 38 7.249 7.249 8.009 -0.760 19606 2864 1 12 . 1 1 39 39 ILE N N 39 126.777 126.777 125.391 1.386 19606 2865 1 12 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.711 0.064 19606 2866 1 12 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.105 -0.093 19606 2867 1 12 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.244 0.193 19606 2868 1 12 . 1 1 39 39 ILE H H 39 8.568 8.568 8.534 0.034 19606 2869 1 12 . 1 1 40 40 LEU N N 40 122.044 122.044 118.567 3.477 19606 2870 1 12 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.811 0.207 19606 2871 1 12 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.049 0.151 19606 2872 1 12 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.842 -0.143 19606 2873 1 12 . 1 1 40 40 LEU H H 40 7.993 7.993 7.995 -0.002 19606 2874 1 12 . 1 1 41 41 GLN N N 41 119.421 119.421 116.704 2.717 19606 2875 1 12 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.881 -0.125 19606 2876 1 12 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.482 0.836 19606 2877 1 12 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.919 0.185 19606 2878 1 12 . 1 1 41 41 GLN H H 41 7.555 7.555 7.617 -0.062 19606 2879 1 12 . 1 1 42 42 VAL N N 42 119.806 119.806 121.460 -1.654 19606 2880 1 12 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.651 -0.459 19606 2881 1 12 . 1 1 42 42 VAL CA C 42 67.354 67.354 67.186 0.167 19606 2882 1 12 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.710 -0.165 19606 2883 1 12 . 1 1 42 42 VAL H H 42 7.454 7.454 8.111 -0.657 19606 2884 1 12 . 1 1 43 43 VAL N N 43 118.511 118.511 119.244 -0.733 19606 2885 1 12 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.371 -0.231 19606 2886 1 12 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.403 -0.435 19606 2887 1 12 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.465 0.302 19606 2888 1 12 . 1 1 43 43 VAL H H 43 8.396 8.396 8.464 -0.068 19606 2889 1 12 . 1 1 44 44 THR N N 44 114.155 114.155 115.483 -1.328 19606 2890 1 12 . 1 1 44 44 THR HA H 44 3.673 3.673 3.900 -0.227 19606 2891 1 12 . 1 1 44 44 THR CA C 44 67.784 67.784 67.191 0.593 19606 2892 1 12 . 1 1 44 44 THR CB C 44 68.711 68.711 68.395 0.316 19606 2893 1 12 . 1 1 44 44 THR H H 44 7.767 7.767 7.552 0.215 19606 2894 1 12 . 1 1 45 45 GLU N N 45 121.134 121.134 122.545 -1.411 19606 2895 1 12 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.118 -0.076 19606 2896 1 12 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.490 0.745 19606 2897 1 12 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.313 -0.711 19606 2898 1 12 . 1 1 45 45 GLU H H 45 7.326 7.326 7.629 -0.303 19606 2899 1 12 . 1 1 46 46 LEU N N 46 120.965 120.965 120.429 0.536 19606 2900 1 12 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.885 -0.135 19606 2901 1 12 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.945 0.362 19606 2902 1 12 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.628 0.888 19606 2903 1 12 . 1 1 46 46 LEU H H 46 8.362 8.362 7.742 0.620 19606 2904 1 12 . 1 1 47 47 LEU N N 47 118.138 118.138 120.123 -1.985 19606 2905 1 12 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.126 0.058 19606 2906 1 12 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.758 -1.531 19606 2907 1 12 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.785 0.332 19606 2908 1 12 . 1 1 47 47 LEU H H 47 8.200 8.200 8.121 0.079 19606 2909 1 12 . 1 1 48 48 GLN N N 48 118.147 118.147 117.825 0.322 19606 2910 1 12 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.921 0.275 19606 2911 1 12 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.010 -1.489 19606 2912 1 12 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.753 -0.252 19606 2913 1 12 . 1 1 48 48 GLN H H 48 7.643 7.643 7.714 -0.071 19606 2914 1 12 . 1 1 49 49 LEU N N 49 119.709 119.709 121.174 -1.465 19606 2915 1 12 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.093 0.133 19606 2916 1 12 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.738 -1.402 19606 2917 1 12 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.347 0.986 19606 2918 1 12 . 1 1 49 49 LEU H H 49 7.966 7.966 8.692 -0.726 19606 2919 1 12 . 1 1 50 50 ASN N N 50 117.058 117.058 117.028 0.030 19606 2920 1 12 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.607 0.124 19606 2921 1 12 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.087 -1.416 19606 2922 1 12 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.711 0.480 19606 2923 1 12 . 1 1 50 50 ASN H H 50 7.930 7.930 8.246 -0.316 19606 2924 1 12 . 1 1 51 51 ASN N N 51 119.097 119.097 116.959 2.138 19606 2925 1 12 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.645 0.161 19606 2926 1 12 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.596 -2.161 19606 2927 1 12 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.212 -0.037 19606 2928 1 12 . 1 1 51 51 ASN H H 51 8.114 8.114 8.083 0.031 19606 2929 1 13 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.538 0.191 19606 2930 1 13 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.231 0.920 19606 2931 1 13 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.442 -0.085 19606 2932 1 13 . 1 1 3 3 LEU N N 3 122.408 122.408 120.286 2.122 19606 2933 1 13 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.215 0.141 19606 2934 1 13 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.676 -0.244 19606 2935 1 13 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.252 0.062 19606 2936 1 13 . 1 1 3 3 LEU H H 3 8.542 8.542 8.334 0.208 19606 2937 1 13 . 1 1 4 4 GLY N N 4 109.946 109.946 109.400 0.546 19606 2938 1 13 . 1 1 4 4 GLY CA C 4 45.294 45.294 45.784 -0.490 19606 2939 1 13 . 1 1 4 4 GLY H H 4 8.406 8.406 8.471 -0.065 19606 2940 1 13 . 1 1 5 5 SER N N 5 115.532 115.532 115.076 0.456 19606 2941 1 13 . 1 1 5 5 SER HA H 5 4.501 4.501 4.079 0.422 19606 2942 1 13 . 1 1 5 5 SER CA C 5 58.036 58.036 58.633 -0.597 19606 2943 1 13 . 1 1 5 5 SER CB C 5 64.169 64.169 62.599 1.570 19606 2944 1 13 . 1 1 5 5 SER H H 5 8.216 8.216 8.380 -0.164 19606 2945 1 13 . 1 1 6 6 SER N N 6 117.955 117.955 115.238 2.717 19606 2946 1 13 . 1 1 6 6 SER HA H 6 4.420 4.420 4.625 -0.205 19606 2947 1 13 . 1 1 6 6 SER CA C 6 58.902 58.902 57.101 1.801 19606 2948 1 13 . 1 1 6 6 SER CB C 6 63.798 63.798 64.419 -0.622 19606 2949 1 13 . 1 1 6 6 SER H H 6 8.460 8.460 7.801 0.659 19606 2950 1 13 . 1 1 7 7 GLU N N 7 122.747 122.747 126.608 -3.861 19606 2951 1 13 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.158 -0.133 19606 2952 1 13 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.716 -0.648 19606 2953 1 13 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.869 -0.116 19606 2954 1 13 . 1 1 7 7 GLU H H 7 8.550 8.550 8.948 -0.398 19606 2955 1 13 . 1 1 8 8 ASP N N 8 120.868 120.868 119.468 1.400 19606 2956 1 13 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.317 0.178 19606 2957 1 13 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.908 -1.318 19606 2958 1 13 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.755 -0.093 19606 2959 1 13 . 1 1 8 8 ASP H H 8 8.293 8.293 7.884 0.409 19606 2960 1 13 . 1 1 9 9 GLN N N 9 121.706 121.706 117.705 4.001 19606 2961 1 13 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.066 0.269 19606 2962 1 13 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.678 -1.185 19606 2963 1 13 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.401 0.338 19606 2964 1 13 . 1 1 9 9 GLN H H 9 8.290 8.290 7.959 0.331 19606 2965 1 13 . 1 1 10 10 THR N N 10 115.700 115.700 116.070 -0.370 19606 2966 1 13 . 1 1 10 10 THR HA H 10 3.802 3.802 3.736 0.066 19606 2967 1 13 . 1 1 10 10 THR CA C 10 67.728 67.728 66.211 1.517 19606 2968 1 13 . 1 1 10 10 THR CB C 10 68.615 68.615 68.300 0.315 19606 2969 1 13 . 1 1 10 10 THR H H 10 8.193 8.193 7.754 0.439 19606 2970 1 13 . 1 1 11 11 ALA N N 11 123.074 123.074 122.417 0.657 19606 2971 1 13 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.069 -0.040 19606 2972 1 13 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.611 1.074 19606 2973 1 13 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.982 -0.017 19606 2974 1 13 . 1 1 11 11 ALA H H 11 8.242 8.242 7.857 0.385 19606 2975 1 13 . 1 1 12 12 ALA N N 12 121.630 121.630 119.732 1.898 19606 2976 1 13 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.031 0.143 19606 2977 1 13 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.170 0.792 19606 2978 1 13 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.392 -0.183 19606 2979 1 13 . 1 1 12 12 ALA H H 12 7.994 7.994 7.576 0.418 19606 2980 1 13 . 1 1 13 13 LEU N N 13 118.959 118.959 119.207 -0.248 19606 2981 1 13 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.671 0.509 19606 2982 1 13 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.148 0.936 19606 2983 1 13 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.792 0.346 19606 2984 1 13 . 1 1 13 13 LEU H H 13 8.084 8.084 7.398 0.686 19606 2985 1 13 . 1 1 14 14 MET N N 14 118.344 118.344 114.844 3.500 19606 2986 1 13 . 1 1 14 14 MET HA H 14 4.251 4.251 3.648 0.603 19606 2987 1 13 . 1 1 14 14 MET CA C 14 57.168 57.168 58.357 -1.189 19606 2988 1 13 . 1 1 14 14 MET CB C 14 30.824 30.824 31.568 -0.744 19606 2989 1 13 . 1 1 14 14 MET H H 14 8.735 8.735 8.347 0.388 19606 2990 1 13 . 1 1 15 15 ALA N N 15 121.078 121.078 120.907 0.171 19606 2991 1 13 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.174 -0.042 19606 2992 1 13 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.682 0.602 19606 2993 1 13 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.947 -0.096 19606 2994 1 13 . 1 1 15 15 ALA H H 15 7.934 7.934 7.625 0.309 19606 2995 1 13 . 1 1 16 16 HIS N N 16 117.529 117.529 117.509 0.020 19606 2996 1 13 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.307 0.233 19606 2997 1 13 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.939 0.862 19606 2998 1 13 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.250 0.339 19606 2999 1 13 . 1 1 16 16 HIS H H 16 7.779 7.779 7.459 0.320 19606 3000 1 13 . 1 1 17 17 LEU N N 17 118.416 118.416 118.324 0.092 19606 3001 1 13 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.341 -0.148 19606 3002 1 13 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.148 0.515 19606 3003 1 13 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.898 -0.862 19606 3004 1 13 . 1 1 17 17 LEU H H 17 8.108 8.108 7.328 0.780 19606 3005 1 13 . 1 1 18 18 PHE N N 18 120.735 120.735 118.534 2.201 19606 3006 1 13 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.208 0.030 19606 3007 1 13 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.393 0.748 19606 3008 1 13 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.525 0.961 19606 3009 1 13 . 1 1 18 18 PHE H H 18 8.671 8.671 7.416 1.255 19606 3010 1 13 . 1 1 19 19 GLU N N 19 120.792 120.792 118.052 2.740 19606 3011 1 13 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.158 -0.110 19606 3012 1 13 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.564 0.431 19606 3013 1 13 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.383 0.018 19606 3014 1 13 . 1 1 19 19 GLU H H 19 8.274 8.274 7.869 0.405 19606 3015 1 13 . 1 1 20 20 MET N N 20 116.057 116.057 115.928 0.129 19606 3016 1 13 . 1 1 20 20 MET HA H 20 4.171 4.171 4.402 -0.231 19606 3017 1 13 . 1 1 20 20 MET CA C 20 56.651 56.651 55.929 0.722 19606 3018 1 13 . 1 1 20 20 MET CB C 20 34.798 34.798 33.551 1.247 19606 3019 1 13 . 1 1 20 20 MET H H 20 7.428 7.428 8.240 -0.812 19606 3020 1 13 . 1 1 21 21 GLY N N 21 104.987 104.987 104.111 0.876 19606 3021 1 13 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.879 -0.022 19606 3022 1 13 . 1 1 21 21 GLY H H 21 7.655 7.655 7.749 -0.094 19606 3023 1 13 . 1 1 22 22 PHE N N 22 123.944 123.944 120.646 3.298 19606 3024 1 13 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.239 0.602 19606 3025 1 13 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.401 -4.774 19606 3026 1 13 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.517 -2.108 19606 3027 1 13 . 1 1 22 22 PHE H H 22 7.893 7.893 7.352 0.541 19606 3028 1 13 . 1 1 23 23 CYS N N 23 119.030 119.030 117.801 1.229 19606 3029 1 13 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.228 -0.345 19606 3030 1 13 . 1 1 23 23 CYS CA C 23 57.848 57.848 60.125 -2.277 19606 3031 1 13 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.189 2.179 19606 3032 1 13 . 1 1 23 23 CYS H H 23 7.872 7.872 8.704 -0.832 19606 3033 1 13 . 1 1 24 24 ASP N N 24 123.683 123.683 121.166 2.517 19606 3034 1 13 . 1 1 24 24 ASP HA H 24 4.732 4.732 5.010 -0.278 19606 3035 1 13 . 1 1 24 24 ASP CA C 24 52.560 52.560 54.121 -1.562 19606 3036 1 13 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.945 -1.637 19606 3037 1 13 . 1 1 24 24 ASP H H 24 9.239 9.239 8.655 0.584 19606 3038 1 13 . 1 1 25 25 ARG N N 25 124.745 124.745 123.384 1.361 19606 3039 1 13 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.200 -0.200 19606 3040 1 13 . 1 1 25 25 ARG CA C 25 60.689 60.689 58.969 1.720 19606 3041 1 13 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.763 1.486 19606 3042 1 13 . 1 1 25 25 ARG H H 25 8.311 8.311 8.734 -0.423 19606 3043 1 13 . 1 1 26 26 GLN N N 26 115.947 115.947 118.378 -2.431 19606 3044 1 13 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.174 -0.142 19606 3045 1 13 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.862 0.302 19606 3046 1 13 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.210 0.031 19606 3047 1 13 . 1 1 26 26 GLN H H 26 8.305 8.305 8.554 -0.249 19606 3048 1 13 . 1 1 27 27 LEU N N 27 124.102 124.102 121.910 2.192 19606 3049 1 13 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.012 0.008 19606 3050 1 13 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.961 -0.277 19606 3051 1 13 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.200 0.435 19606 3052 1 13 . 1 1 27 27 LEU H H 27 7.650 7.650 8.215 -0.565 19606 3053 1 13 . 1 1 28 28 ASN N N 28 117.933 117.933 116.838 1.095 19606 3054 1 13 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.261 -0.210 19606 3055 1 13 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.931 -0.032 19606 3056 1 13 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.928 0.355 19606 3057 1 13 . 1 1 28 28 ASN H H 28 8.593 8.593 8.189 0.404 19606 3058 1 13 . 1 1 29 29 LEU N N 29 119.088 119.088 121.510 -2.422 19606 3059 1 13 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.180 -0.151 19606 3060 1 13 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.804 0.423 19606 3061 1 13 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.460 0.716 19606 3062 1 13 . 1 1 29 29 LEU H H 29 8.255 8.255 7.518 0.737 19606 3063 1 13 . 1 1 30 30 ARG N N 30 119.126 119.126 119.605 -0.479 19606 3064 1 13 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.120 -0.145 19606 3065 1 13 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.550 1.324 19606 3066 1 13 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.442 0.697 19606 3067 1 13 . 1 1 30 30 ARG H H 30 7.658 7.658 7.967 -0.309 19606 3068 1 13 . 1 1 31 31 LEU N N 31 119.791 119.791 120.793 -1.002 19606 3069 1 13 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.114 -0.064 19606 3070 1 13 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.213 0.378 19606 3071 1 13 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.308 1.384 19606 3072 1 13 . 1 1 31 31 LEU H H 31 8.557 8.557 8.446 0.111 19606 3073 1 13 . 1 1 32 32 LEU N N 32 121.080 121.080 120.217 0.863 19606 3074 1 13 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.841 -0.368 19606 3075 1 13 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.465 0.104 19606 3076 1 13 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.536 -0.316 19606 3077 1 13 . 1 1 32 32 LEU H H 32 8.822 8.822 7.991 0.831 19606 3078 1 13 . 1 1 33 33 LYS N N 33 116.581 116.581 116.575 0.006 19606 3079 1 13 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.182 -0.559 19606 3080 1 13 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.300 1.369 19606 3081 1 13 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.648 0.651 19606 3082 1 13 . 1 1 33 33 LYS H H 33 7.510 7.510 7.708 -0.198 19606 3083 1 13 . 1 1 34 34 LYS N N 34 121.781 121.781 118.530 3.251 19606 3084 1 13 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.057 -0.259 19606 3085 1 13 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.234 1.075 19606 3086 1 13 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.590 0.931 19606 3087 1 13 . 1 1 34 34 LYS H H 34 7.915 7.915 7.445 0.470 19606 3088 1 13 . 1 1 35 35 HIS N N 35 113.017 113.017 113.998 -0.981 19606 3089 1 13 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.635 0.143 19606 3090 1 13 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.699 -0.162 19606 3091 1 13 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.050 0.172 19606 3092 1 13 . 1 1 35 35 HIS H H 35 7.662 7.662 7.995 -0.333 19606 3093 1 13 . 1 1 36 36 ASN N N 36 119.419 119.419 117.871 1.548 19606 3094 1 13 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.390 -0.135 19606 3095 1 13 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.116 0.948 19606 3096 1 13 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.898 0.305 19606 3097 1 13 . 1 1 36 36 ASN H H 36 7.781 7.781 7.954 -0.173 19606 3098 1 13 . 1 1 37 37 TYR N N 37 107.213 107.213 113.743 -6.530 19606 3099 1 13 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.080 0.129 19606 3100 1 13 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.164 1.644 19606 3101 1 13 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.198 -2.244 19606 3102 1 13 . 1 1 37 37 TYR H H 37 9.103 9.103 8.855 0.248 19606 3103 1 13 . 1 1 38 38 ASN N N 38 116.482 116.482 119.315 -2.833 19606 3104 1 13 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.983 -0.168 19606 3105 1 13 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.478 1.200 19606 3106 1 13 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.502 -0.021 19606 3107 1 13 . 1 1 38 38 ASN H H 38 7.249 7.249 8.008 -0.759 19606 3108 1 13 . 1 1 39 39 ILE N N 39 126.777 126.777 125.436 1.341 19606 3109 1 13 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.685 0.090 19606 3110 1 13 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.182 -0.170 19606 3111 1 13 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.220 0.217 19606 3112 1 13 . 1 1 39 39 ILE H H 39 8.568 8.568 8.511 0.057 19606 3113 1 13 . 1 1 40 40 LEU N N 40 122.044 122.044 118.501 3.543 19606 3114 1 13 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.786 0.232 19606 3115 1 13 . 1 1 40 40 LEU CA C 40 58.200 58.200 57.849 0.352 19606 3116 1 13 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.895 -0.196 19606 3117 1 13 . 1 1 40 40 LEU H H 40 7.993 7.993 7.990 0.003 19606 3118 1 13 . 1 1 41 41 GLN N N 41 119.421 119.421 116.115 3.306 19606 3119 1 13 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.832 -0.076 19606 3120 1 13 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.521 0.797 19606 3121 1 13 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.891 0.213 19606 3122 1 13 . 1 1 41 41 GLN H H 41 7.555 7.555 7.560 -0.005 19606 3123 1 13 . 1 1 42 42 VAL N N 42 119.806 119.806 121.352 -1.546 19606 3124 1 13 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.666 -0.474 19606 3125 1 13 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.681 0.673 19606 3126 1 13 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.402 0.143 19606 3127 1 13 . 1 1 42 42 VAL H H 42 7.454 7.454 8.231 -0.777 19606 3128 1 13 . 1 1 43 43 VAL N N 43 118.511 118.511 118.710 -0.199 19606 3129 1 13 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.323 -0.183 19606 3130 1 13 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.872 0.096 19606 3131 1 13 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.003 0.764 19606 3132 1 13 . 1 1 43 43 VAL H H 43 8.396 8.396 8.409 -0.013 19606 3133 1 13 . 1 1 44 44 THR N N 44 114.155 114.155 116.270 -2.115 19606 3134 1 13 . 1 1 44 44 THR HA H 44 3.673 3.673 3.901 -0.228 19606 3135 1 13 . 1 1 44 44 THR CA C 44 67.784 67.784 67.451 0.333 19606 3136 1 13 . 1 1 44 44 THR CB C 44 68.711 68.711 68.392 0.319 19606 3137 1 13 . 1 1 44 44 THR H H 44 7.767 7.767 7.569 0.198 19606 3138 1 13 . 1 1 45 45 GLU N N 45 121.134 121.134 122.313 -1.179 19606 3139 1 13 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.168 -0.126 19606 3140 1 13 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.092 1.143 19606 3141 1 13 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.150 -0.548 19606 3142 1 13 . 1 1 45 45 GLU H H 45 7.326 7.326 7.709 -0.383 19606 3143 1 13 . 1 1 46 46 LEU N N 46 120.965 120.965 119.920 1.045 19606 3144 1 13 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.894 -0.144 19606 3145 1 13 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.629 0.678 19606 3146 1 13 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.984 0.532 19606 3147 1 13 . 1 1 46 46 LEU H H 46 8.362 8.362 7.754 0.608 19606 3148 1 13 . 1 1 47 47 LEU N N 47 118.138 118.138 119.660 -1.522 19606 3149 1 13 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.302 -0.118 19606 3150 1 13 . 1 1 47 47 LEU CA C 47 57.227 57.227 57.977 -0.750 19606 3151 1 13 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.996 0.121 19606 3152 1 13 . 1 1 47 47 LEU H H 47 8.200 8.200 8.160 0.040 19606 3153 1 13 . 1 1 48 48 GLN N N 48 118.147 118.147 118.150 -0.003 19606 3154 1 13 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.999 0.197 19606 3155 1 13 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.853 -1.332 19606 3156 1 13 . 1 1 48 48 GLN CB C 48 28.501 28.501 29.011 -0.510 19606 3157 1 13 . 1 1 48 48 GLN H H 48 7.643 7.643 8.114 -0.471 19606 3158 1 13 . 1 1 49 49 LEU N N 49 119.709 119.709 119.773 -0.064 19606 3159 1 13 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.133 0.093 19606 3160 1 13 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.813 -1.477 19606 3161 1 13 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.061 0.272 19606 3162 1 13 . 1 1 49 49 LEU H H 49 7.966 7.966 8.488 -0.522 19606 3163 1 13 . 1 1 50 50 ASN N N 50 117.058 117.058 113.395 3.663 19606 3164 1 13 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.749 -0.018 19606 3165 1 13 . 1 1 50 50 ASN CA C 50 53.671 53.671 53.231 0.440 19606 3166 1 13 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.488 0.703 19606 3167 1 13 . 1 1 50 50 ASN H H 50 7.930 7.930 7.708 0.222 19606 3168 1 13 . 1 1 51 51 ASN N N 51 119.097 119.097 118.377 0.720 19606 3169 1 13 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.770 0.036 19606 3170 1 13 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.383 -0.948 19606 3171 1 13 . 1 1 51 51 ASN CB C 51 39.175 39.175 40.239 -1.064 19606 3172 1 13 . 1 1 51 51 ASN H H 51 8.114 8.114 8.319 -0.205 19606 3173 1 14 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.419 0.310 19606 3174 1 14 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.427 -0.276 19606 3175 1 14 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.444 -0.087 19606 3176 1 14 . 1 1 3 3 LEU N N 3 122.408 122.408 121.739 0.669 19606 3177 1 14 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.412 -0.056 19606 3178 1 14 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.448 0.984 19606 3179 1 14 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.304 0.010 19606 3180 1 14 . 1 1 3 3 LEU H H 3 8.542 8.542 7.795 0.747 19606 3181 1 14 . 1 1 4 4 GLY N N 4 109.946 109.946 112.580 -2.634 19606 3182 1 14 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.978 0.316 19606 3183 1 14 . 1 1 4 4 GLY H H 4 8.406 8.406 8.726 -0.320 19606 3184 1 14 . 1 1 5 5 SER N N 5 115.532 115.532 116.386 -0.854 19606 3185 1 14 . 1 1 5 5 SER HA H 5 4.501 4.501 4.499 0.002 19606 3186 1 14 . 1 1 5 5 SER CA C 5 58.036 58.036 58.445 -0.409 19606 3187 1 14 . 1 1 5 5 SER CB C 5 64.169 64.169 64.042 0.127 19606 3188 1 14 . 1 1 5 5 SER H H 5 8.216 8.216 8.096 0.120 19606 3189 1 14 . 1 1 6 6 SER N N 6 117.955 117.955 115.229 2.726 19606 3190 1 14 . 1 1 6 6 SER HA H 6 4.420 4.420 4.651 -0.231 19606 3191 1 14 . 1 1 6 6 SER CA C 6 58.902 58.902 57.593 1.309 19606 3192 1 14 . 1 1 6 6 SER CB C 6 63.798 63.798 64.100 -0.302 19606 3193 1 14 . 1 1 6 6 SER H H 6 8.460 8.460 8.436 0.024 19606 3194 1 14 . 1 1 7 7 GLU N N 7 122.747 122.747 127.809 -5.062 19606 3195 1 14 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.167 -0.142 19606 3196 1 14 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.513 -0.445 19606 3197 1 14 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.773 -0.020 19606 3198 1 14 . 1 1 7 7 GLU H H 7 8.550 8.550 9.064 -0.514 19606 3199 1 14 . 1 1 8 8 ASP N N 8 120.868 120.868 119.038 1.830 19606 3200 1 14 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.329 0.166 19606 3201 1 14 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.888 -1.298 19606 3202 1 14 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.733 -0.071 19606 3203 1 14 . 1 1 8 8 ASP H H 8 8.293 8.293 7.876 0.417 19606 3204 1 14 . 1 1 9 9 GLN N N 9 121.706 121.706 119.070 2.636 19606 3205 1 14 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.070 0.265 19606 3206 1 14 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.629 -1.136 19606 3207 1 14 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.148 0.591 19606 3208 1 14 . 1 1 9 9 GLN H H 9 8.290 8.290 7.577 0.713 19606 3209 1 14 . 1 1 10 10 THR N N 10 115.700 115.700 116.473 -0.773 19606 3210 1 14 . 1 1 10 10 THR HA H 10 3.802 3.802 3.762 0.040 19606 3211 1 14 . 1 1 10 10 THR CA C 10 67.728 67.728 65.879 1.849 19606 3212 1 14 . 1 1 10 10 THR CB C 10 68.615 68.615 67.929 0.686 19606 3213 1 14 . 1 1 10 10 THR H H 10 8.193 8.193 7.659 0.534 19606 3214 1 14 . 1 1 11 11 ALA N N 11 123.074 123.074 121.883 1.191 19606 3215 1 14 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.042 -0.013 19606 3216 1 14 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.851 0.834 19606 3217 1 14 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.059 -0.094 19606 3218 1 14 . 1 1 11 11 ALA H H 11 8.242 8.242 7.540 0.702 19606 3219 1 14 . 1 1 12 12 ALA N N 12 121.630 121.630 120.976 0.654 19606 3220 1 14 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.059 0.115 19606 3221 1 14 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.345 0.617 19606 3222 1 14 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.339 -0.130 19606 3223 1 14 . 1 1 12 12 ALA H H 12 7.994 7.994 7.463 0.531 19606 3224 1 14 . 1 1 13 13 LEU N N 13 118.959 118.959 118.862 0.097 19606 3225 1 14 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.430 0.750 19606 3226 1 14 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.145 0.939 19606 3227 1 14 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.490 0.648 19606 3228 1 14 . 1 1 13 13 LEU H H 13 8.084 8.084 7.391 0.693 19606 3229 1 14 . 1 1 14 14 MET N N 14 118.344 118.344 115.814 2.530 19606 3230 1 14 . 1 1 14 14 MET HA H 14 4.251 4.251 3.602 0.649 19606 3231 1 14 . 1 1 14 14 MET CA C 14 57.168 57.168 58.248 -1.080 19606 3232 1 14 . 1 1 14 14 MET CB C 14 30.824 30.824 31.642 -0.818 19606 3233 1 14 . 1 1 14 14 MET H H 14 8.735 8.735 8.070 0.665 19606 3234 1 14 . 1 1 15 15 ALA N N 15 121.078 121.078 120.799 0.279 19606 3235 1 14 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.270 -0.138 19606 3236 1 14 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.973 0.311 19606 3237 1 14 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.920 -0.069 19606 3238 1 14 . 1 1 15 15 ALA H H 15 7.934 7.934 7.700 0.234 19606 3239 1 14 . 1 1 16 16 HIS N N 16 117.529 117.529 116.230 1.299 19606 3240 1 14 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.628 -0.088 19606 3241 1 14 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.390 1.411 19606 3242 1 14 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.186 0.403 19606 3243 1 14 . 1 1 16 16 HIS H H 16 7.779 7.779 7.467 0.312 19606 3244 1 14 . 1 1 17 17 LEU N N 17 118.416 118.416 119.367 -0.951 19606 3245 1 14 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.286 -0.093 19606 3246 1 14 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.939 0.724 19606 3247 1 14 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.891 -0.855 19606 3248 1 14 . 1 1 17 17 LEU H H 17 8.108 8.108 7.254 0.854 19606 3249 1 14 . 1 1 18 18 PHE N N 18 120.735 120.735 118.239 2.496 19606 3250 1 14 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.162 0.076 19606 3251 1 14 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.590 0.551 19606 3252 1 14 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.554 0.931 19606 3253 1 14 . 1 1 18 18 PHE H H 18 8.671 8.671 7.826 0.845 19606 3254 1 14 . 1 1 19 19 GLU N N 19 120.792 120.792 118.894 1.898 19606 3255 1 14 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.084 -0.036 19606 3256 1 14 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.901 0.094 19606 3257 1 14 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.199 0.202 19606 3258 1 14 . 1 1 19 19 GLU H H 19 8.274 8.274 7.924 0.350 19606 3259 1 14 . 1 1 20 20 MET N N 20 116.057 116.057 117.543 -1.486 19606 3260 1 14 . 1 1 20 20 MET HA H 20 4.171 4.171 4.227 -0.056 19606 3261 1 14 . 1 1 20 20 MET CA C 20 56.651 56.651 56.545 0.106 19606 3262 1 14 . 1 1 20 20 MET CB C 20 34.798 34.798 33.529 1.269 19606 3263 1 14 . 1 1 20 20 MET H H 20 7.428 7.428 7.787 -0.359 19606 3264 1 14 . 1 1 21 21 GLY N N 21 104.987 104.987 103.809 1.178 19606 3265 1 14 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.829 0.028 19606 3266 1 14 . 1 1 21 21 GLY H H 21 7.655 7.655 7.599 0.056 19606 3267 1 14 . 1 1 22 22 PHE N N 22 123.944 123.944 120.546 3.398 19606 3268 1 14 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.282 0.559 19606 3269 1 14 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.315 -4.688 19606 3270 1 14 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.561 -2.152 19606 3271 1 14 . 1 1 22 22 PHE H H 22 7.893 7.893 7.395 0.498 19606 3272 1 14 . 1 1 23 23 CYS N N 23 119.030 119.030 116.465 2.565 19606 3273 1 14 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.280 -0.397 19606 3274 1 14 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.644 -1.796 19606 3275 1 14 . 1 1 23 23 CYS CB C 23 28.368 28.368 25.631 2.737 19606 3276 1 14 . 1 1 23 23 CYS H H 23 7.872 7.872 8.695 -0.823 19606 3277 1 14 . 1 1 24 24 ASP N N 24 123.683 123.683 119.516 4.167 19606 3278 1 14 . 1 1 24 24 ASP HA H 24 4.732 4.732 5.049 -0.317 19606 3279 1 14 . 1 1 24 24 ASP CA C 24 52.560 52.560 54.011 -1.451 19606 3280 1 14 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.286 -0.978 19606 3281 1 14 . 1 1 24 24 ASP H H 24 9.239 9.239 8.602 0.637 19606 3282 1 14 . 1 1 25 25 ARG N N 25 124.745 124.745 123.841 0.904 19606 3283 1 14 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.192 -0.192 19606 3284 1 14 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.151 1.538 19606 3285 1 14 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.980 1.269 19606 3286 1 14 . 1 1 25 25 ARG H H 25 8.311 8.311 8.649 -0.338 19606 3287 1 14 . 1 1 26 26 GLN N N 26 115.947 115.947 118.191 -2.244 19606 3288 1 14 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.165 -0.133 19606 3289 1 14 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.337 0.827 19606 3290 1 14 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.024 0.217 19606 3291 1 14 . 1 1 26 26 GLN H H 26 8.305 8.305 8.648 -0.343 19606 3292 1 14 . 1 1 27 27 LEU N N 27 124.102 124.102 122.521 1.581 19606 3293 1 14 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.046 -0.026 19606 3294 1 14 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.644 0.040 19606 3295 1 14 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.606 0.029 19606 3296 1 14 . 1 1 27 27 LEU H H 27 7.650 7.650 7.518 0.132 19606 3297 1 14 . 1 1 28 28 ASN N N 28 117.933 117.933 117.336 0.597 19606 3298 1 14 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.265 -0.214 19606 3299 1 14 . 1 1 28 28 ASN CA C 28 55.899 55.899 56.050 -0.151 19606 3300 1 14 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.997 0.286 19606 3301 1 14 . 1 1 28 28 ASN H H 28 8.593 8.593 8.163 0.430 19606 3302 1 14 . 1 1 29 29 LEU N N 29 119.088 119.088 121.250 -2.162 19606 3303 1 14 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.178 -0.149 19606 3304 1 14 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.810 0.417 19606 3305 1 14 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.457 0.719 19606 3306 1 14 . 1 1 29 29 LEU H H 29 8.255 8.255 7.676 0.579 19606 3307 1 14 . 1 1 30 30 ARG N N 30 119.126 119.126 119.615 -0.489 19606 3308 1 14 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.109 -0.134 19606 3309 1 14 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.540 1.334 19606 3310 1 14 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.396 0.743 19606 3311 1 14 . 1 1 30 30 ARG H H 30 7.658 7.658 7.691 -0.033 19606 3312 1 14 . 1 1 31 31 LEU N N 31 119.791 119.791 120.662 -0.871 19606 3313 1 14 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.122 -0.072 19606 3314 1 14 . 1 1 31 31 LEU CA C 31 57.591 57.591 56.922 0.669 19606 3315 1 14 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.336 1.357 19606 3316 1 14 . 1 1 31 31 LEU H H 31 8.557 8.557 8.477 0.080 19606 3317 1 14 . 1 1 32 32 LEU N N 32 121.080 121.080 120.138 0.942 19606 3318 1 14 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.813 -0.340 19606 3319 1 14 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.453 0.116 19606 3320 1 14 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.488 -0.268 19606 3321 1 14 . 1 1 32 32 LEU H H 32 8.822 8.822 7.885 0.937 19606 3322 1 14 . 1 1 33 33 LYS N N 33 116.581 116.581 115.619 0.962 19606 3323 1 14 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.155 -0.532 19606 3324 1 14 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.682 0.987 19606 3325 1 14 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.887 0.412 19606 3326 1 14 . 1 1 33 33 LYS H H 33 7.510 7.510 7.618 -0.108 19606 3327 1 14 . 1 1 34 34 LYS N N 34 121.781 121.781 118.566 3.215 19606 3328 1 14 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.057 -0.259 19606 3329 1 14 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.248 1.061 19606 3330 1 14 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.566 0.955 19606 3331 1 14 . 1 1 34 34 LYS H H 34 7.915 7.915 7.439 0.476 19606 3332 1 14 . 1 1 35 35 HIS N N 35 113.017 113.017 113.703 -0.686 19606 3333 1 14 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.624 0.154 19606 3334 1 14 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.644 -0.107 19606 3335 1 14 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.677 0.545 19606 3336 1 14 . 1 1 35 35 HIS H H 35 7.662 7.662 7.971 -0.309 19606 3337 1 14 . 1 1 36 36 ASN N N 36 119.419 119.419 117.546 1.873 19606 3338 1 14 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.450 -0.195 19606 3339 1 14 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.065 0.999 19606 3340 1 14 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.758 0.445 19606 3341 1 14 . 1 1 36 36 ASN H H 36 7.781 7.781 7.904 -0.123 19606 3342 1 14 . 1 1 37 37 TYR N N 37 107.213 107.213 112.844 -5.631 19606 3343 1 14 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.077 0.132 19606 3344 1 14 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.477 1.331 19606 3345 1 14 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.187 -2.233 19606 3346 1 14 . 1 1 37 37 TYR H H 37 9.103 9.103 8.697 0.406 19606 3347 1 14 . 1 1 38 38 ASN N N 38 116.482 116.482 119.286 -2.804 19606 3348 1 14 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.987 -0.172 19606 3349 1 14 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.725 0.953 19606 3350 1 14 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.730 -0.249 19606 3351 1 14 . 1 1 38 38 ASN H H 38 7.249 7.249 8.003 -0.754 19606 3352 1 14 . 1 1 39 39 ILE N N 39 126.777 126.777 125.603 1.174 19606 3353 1 14 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.707 0.068 19606 3354 1 14 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.184 -0.172 19606 3355 1 14 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.257 0.180 19606 3356 1 14 . 1 1 39 39 ILE H H 39 8.568 8.568 8.556 0.012 19606 3357 1 14 . 1 1 40 40 LEU N N 40 122.044 122.044 118.345 3.699 19606 3358 1 14 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.816 0.202 19606 3359 1 14 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.118 0.082 19606 3360 1 14 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.913 -0.214 19606 3361 1 14 . 1 1 40 40 LEU H H 40 7.993 7.993 7.993 -0.000 19606 3362 1 14 . 1 1 41 41 GLN N N 41 119.421 119.421 116.273 3.148 19606 3363 1 14 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.884 -0.128 19606 3364 1 14 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.456 0.862 19606 3365 1 14 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.724 0.380 19606 3366 1 14 . 1 1 41 41 GLN H H 41 7.555 7.555 7.559 -0.004 19606 3367 1 14 . 1 1 42 42 VAL N N 42 119.806 119.806 121.632 -1.826 19606 3368 1 14 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.725 -0.533 19606 3369 1 14 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.290 2.064 19606 3370 1 14 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.924 0.621 19606 3371 1 14 . 1 1 42 42 VAL H H 42 7.454 7.454 8.124 -0.670 19606 3372 1 14 . 1 1 43 43 VAL N N 43 118.511 118.511 119.286 -0.775 19606 3373 1 14 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.424 -0.284 19606 3374 1 14 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.954 0.014 19606 3375 1 14 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.841 0.926 19606 3376 1 14 . 1 1 43 43 VAL H H 43 8.396 8.396 8.520 -0.124 19606 3377 1 14 . 1 1 44 44 THR N N 44 114.155 114.155 115.218 -1.063 19606 3378 1 14 . 1 1 44 44 THR HA H 44 3.673 3.673 3.946 -0.273 19606 3379 1 14 . 1 1 44 44 THR CA C 44 67.784 67.784 67.373 0.411 19606 3380 1 14 . 1 1 44 44 THR CB C 44 68.711 68.711 68.415 0.296 19606 3381 1 14 . 1 1 44 44 THR H H 44 7.767 7.767 7.633 0.134 19606 3382 1 14 . 1 1 45 45 GLU N N 45 121.134 121.134 122.729 -1.595 19606 3383 1 14 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.129 -0.087 19606 3384 1 14 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.528 0.707 19606 3385 1 14 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.294 -0.692 19606 3386 1 14 . 1 1 45 45 GLU H H 45 7.326 7.326 7.598 -0.272 19606 3387 1 14 . 1 1 46 46 LEU N N 46 120.965 120.965 120.114 0.851 19606 3388 1 14 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.882 -0.132 19606 3389 1 14 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.914 0.393 19606 3390 1 14 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.783 0.733 19606 3391 1 14 . 1 1 46 46 LEU H H 46 8.362 8.362 7.785 0.577 19606 3392 1 14 . 1 1 47 47 LEU N N 47 118.138 118.138 119.493 -1.355 19606 3393 1 14 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.249 -0.065 19606 3394 1 14 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.275 -1.048 19606 3395 1 14 . 1 1 47 47 LEU CB C 47 42.117 42.117 42.030 0.087 19606 3396 1 14 . 1 1 47 47 LEU H H 47 8.200 8.200 7.958 0.242 19606 3397 1 14 . 1 1 48 48 GLN N N 48 118.147 118.147 118.976 -0.829 19606 3398 1 14 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.971 0.225 19606 3399 1 14 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.063 -1.542 19606 3400 1 14 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.874 -0.373 19606 3401 1 14 . 1 1 48 48 GLN H H 48 7.643 7.643 8.163 -0.520 19606 3402 1 14 . 1 1 49 49 LEU N N 49 119.709 119.709 118.519 1.190 19606 3403 1 14 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.142 0.084 19606 3404 1 14 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.332 -0.996 19606 3405 1 14 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.983 0.350 19606 3406 1 14 . 1 1 49 49 LEU H H 49 7.966 7.966 8.557 -0.591 19606 3407 1 14 . 1 1 50 50 ASN N N 50 117.058 117.058 114.514 2.544 19606 3408 1 14 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.795 -0.064 19606 3409 1 14 . 1 1 50 50 ASN CA C 50 53.671 53.671 52.775 0.896 19606 3410 1 14 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.660 0.531 19606 3411 1 14 . 1 1 50 50 ASN H H 50 7.930 7.930 7.724 0.206 19606 3412 1 14 . 1 1 51 51 ASN N N 51 119.097 119.097 119.029 0.068 19606 3413 1 14 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.639 0.167 19606 3414 1 14 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.187 -1.752 19606 3415 1 14 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.449 0.726 19606 3416 1 14 . 1 1 51 51 ASN H H 51 8.114 8.114 7.999 0.115 19606 3417 1 15 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.490 0.239 19606 3418 1 15 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.860 0.291 19606 3419 1 15 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.518 -0.161 19606 3420 1 15 . 1 1 3 3 LEU N N 3 122.408 122.408 122.370 0.038 19606 3421 1 15 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.301 0.055 19606 3422 1 15 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.794 0.638 19606 3423 1 15 . 1 1 3 3 LEU CB C 3 42.314 42.314 41.320 0.994 19606 3424 1 15 . 1 1 3 3 LEU H H 3 8.542 8.542 7.738 0.804 19606 3425 1 15 . 1 1 4 4 GLY N N 4 109.946 109.946 114.943 -4.997 19606 3426 1 15 . 1 1 4 4 GLY CA C 4 45.294 45.294 45.309 -0.015 19606 3427 1 15 . 1 1 4 4 GLY H H 4 8.406 8.406 7.775 0.631 19606 3428 1 15 . 1 1 5 5 SER N N 5 115.532 115.532 116.827 -1.295 19606 3429 1 15 . 1 1 5 5 SER HA H 5 4.501 4.501 4.639 -0.138 19606 3430 1 15 . 1 1 5 5 SER CA C 5 58.036 58.036 57.737 0.299 19606 3431 1 15 . 1 1 5 5 SER CB C 5 64.169 64.169 62.555 1.614 19606 3432 1 15 . 1 1 5 5 SER H H 5 8.216 8.216 8.395 -0.179 19606 3433 1 15 . 1 1 6 6 SER N N 6 117.955 117.955 118.878 -0.923 19606 3434 1 15 . 1 1 6 6 SER HA H 6 4.420 4.420 4.540 -0.120 19606 3435 1 15 . 1 1 6 6 SER CA C 6 58.902 58.902 58.334 0.568 19606 3436 1 15 . 1 1 6 6 SER CB C 6 63.798 63.798 65.414 -1.616 19606 3437 1 15 . 1 1 6 6 SER H H 6 8.460 8.460 7.838 0.622 19606 3438 1 15 . 1 1 7 7 GLU N N 7 122.747 122.747 123.257 -0.510 19606 3439 1 15 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.117 -0.092 19606 3440 1 15 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.654 -0.586 19606 3441 1 15 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.055 -0.302 19606 3442 1 15 . 1 1 7 7 GLU H H 7 8.550 8.550 9.006 -0.456 19606 3443 1 15 . 1 1 8 8 ASP N N 8 120.868 120.868 118.436 2.432 19606 3444 1 15 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.384 0.111 19606 3445 1 15 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.709 -1.119 19606 3446 1 15 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.575 0.087 19606 3447 1 15 . 1 1 8 8 ASP H H 8 8.293 8.293 8.537 -0.244 19606 3448 1 15 . 1 1 9 9 GLN N N 9 121.706 121.706 119.014 2.692 19606 3449 1 15 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.061 0.274 19606 3450 1 15 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.617 -1.124 19606 3451 1 15 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.352 0.387 19606 3452 1 15 . 1 1 9 9 GLN H H 9 8.290 8.290 7.646 0.644 19606 3453 1 15 . 1 1 10 10 THR N N 10 115.700 115.700 116.869 -1.169 19606 3454 1 15 . 1 1 10 10 THR HA H 10 3.802 3.802 3.716 0.086 19606 3455 1 15 . 1 1 10 10 THR CA C 10 67.728 67.728 66.920 0.808 19606 3456 1 15 . 1 1 10 10 THR CB C 10 68.615 68.615 68.327 0.288 19606 3457 1 15 . 1 1 10 10 THR H H 10 8.193 8.193 7.655 0.538 19606 3458 1 15 . 1 1 11 11 ALA N N 11 123.074 123.074 122.081 0.993 19606 3459 1 15 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.042 -0.013 19606 3460 1 15 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.843 0.842 19606 3461 1 15 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.108 -0.143 19606 3462 1 15 . 1 1 11 11 ALA H H 11 8.242 8.242 7.505 0.737 19606 3463 1 15 . 1 1 12 12 ALA N N 12 121.630 121.630 121.211 0.419 19606 3464 1 15 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.009 0.165 19606 3465 1 15 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.436 0.526 19606 3466 1 15 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.259 -0.050 19606 3467 1 15 . 1 1 12 12 ALA H H 12 7.994 7.994 7.457 0.537 19606 3468 1 15 . 1 1 13 13 LEU N N 13 118.959 118.959 118.993 -0.034 19606 3469 1 15 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.427 0.753 19606 3470 1 15 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.244 0.840 19606 3471 1 15 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.484 0.654 19606 3472 1 15 . 1 1 13 13 LEU H H 13 8.084 8.084 7.417 0.667 19606 3473 1 15 . 1 1 14 14 MET N N 14 118.344 118.344 116.653 1.691 19606 3474 1 15 . 1 1 14 14 MET HA H 14 4.251 4.251 3.532 0.719 19606 3475 1 15 . 1 1 14 14 MET CA C 14 57.168 57.168 58.750 -1.582 19606 3476 1 15 . 1 1 14 14 MET CB C 14 30.824 30.824 31.989 -1.165 19606 3477 1 15 . 1 1 14 14 MET H H 14 8.735 8.735 8.170 0.565 19606 3478 1 15 . 1 1 15 15 ALA N N 15 121.078 121.078 120.458 0.620 19606 3479 1 15 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.222 -0.090 19606 3480 1 15 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.872 0.412 19606 3481 1 15 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.921 -0.070 19606 3482 1 15 . 1 1 15 15 ALA H H 15 7.934 7.934 7.502 0.432 19606 3483 1 15 . 1 1 16 16 HIS N N 16 117.529 117.529 116.693 0.836 19606 3484 1 15 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.339 0.201 19606 3485 1 15 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.844 0.957 19606 3486 1 15 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.194 0.395 19606 3487 1 15 . 1 1 16 16 HIS H H 16 7.779 7.779 7.581 0.198 19606 3488 1 15 . 1 1 17 17 LEU N N 17 118.416 118.416 118.725 -0.309 19606 3489 1 15 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.336 -0.143 19606 3490 1 15 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.004 0.659 19606 3491 1 15 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.873 -0.837 19606 3492 1 15 . 1 1 17 17 LEU H H 17 8.108 8.108 7.111 0.997 19606 3493 1 15 . 1 1 18 18 PHE N N 18 120.735 120.735 117.742 2.993 19606 3494 1 15 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.228 0.010 19606 3495 1 15 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.092 1.049 19606 3496 1 15 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.468 1.018 19606 3497 1 15 . 1 1 18 18 PHE H H 18 8.671 8.671 7.559 1.112 19606 3498 1 15 . 1 1 19 19 GLU N N 19 120.792 120.792 118.098 2.694 19606 3499 1 15 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.152 -0.104 19606 3500 1 15 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.622 0.373 19606 3501 1 15 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.480 -0.079 19606 3502 1 15 . 1 1 19 19 GLU H H 19 8.274 8.274 7.800 0.474 19606 3503 1 15 . 1 1 20 20 MET N N 20 116.057 116.057 115.995 0.062 19606 3504 1 15 . 1 1 20 20 MET HA H 20 4.171 4.171 4.367 -0.196 19606 3505 1 15 . 1 1 20 20 MET CA C 20 56.651 56.651 55.784 0.867 19606 3506 1 15 . 1 1 20 20 MET CB C 20 34.798 34.798 33.364 1.434 19606 3507 1 15 . 1 1 20 20 MET H H 20 7.428 7.428 8.176 -0.748 19606 3508 1 15 . 1 1 21 21 GLY N N 21 104.987 104.987 103.985 1.002 19606 3509 1 15 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.868 -0.011 19606 3510 1 15 . 1 1 21 21 GLY H H 21 7.655 7.655 7.713 -0.058 19606 3511 1 15 . 1 1 22 22 PHE N N 22 123.944 123.944 120.736 3.208 19606 3512 1 15 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.242 0.599 19606 3513 1 15 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.446 -4.819 19606 3514 1 15 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.541 -2.132 19606 3515 1 15 . 1 1 22 22 PHE H H 22 7.893 7.893 7.399 0.494 19606 3516 1 15 . 1 1 23 23 CYS N N 23 119.030 119.030 115.294 3.736 19606 3517 1 15 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.272 -0.389 19606 3518 1 15 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.845 -1.997 19606 3519 1 15 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.132 2.236 19606 3520 1 15 . 1 1 23 23 CYS H H 23 7.872 7.872 8.951 -1.079 19606 3521 1 15 . 1 1 24 24 ASP N N 24 123.683 123.683 118.432 5.251 19606 3522 1 15 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.890 -0.158 19606 3523 1 15 . 1 1 24 24 ASP CA C 24 52.560 52.560 52.571 -0.010 19606 3524 1 15 . 1 1 24 24 ASP CB C 24 40.308 40.308 40.726 -0.418 19606 3525 1 15 . 1 1 24 24 ASP H H 24 9.239 9.239 8.446 0.793 19606 3526 1 15 . 1 1 25 25 ARG N N 25 124.745 124.745 123.655 1.090 19606 3527 1 15 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.125 -0.125 19606 3528 1 15 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.404 1.285 19606 3529 1 15 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.601 1.648 19606 3530 1 15 . 1 1 25 25 ARG H H 25 8.311 8.311 8.823 -0.512 19606 3531 1 15 . 1 1 26 26 GLN N N 26 115.947 115.947 118.676 -2.729 19606 3532 1 15 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.202 -0.170 19606 3533 1 15 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.039 1.125 19606 3534 1 15 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.966 0.275 19606 3535 1 15 . 1 1 26 26 GLN H H 26 8.305 8.305 8.215 0.090 19606 3536 1 15 . 1 1 27 27 LEU N N 27 124.102 124.102 122.582 1.520 19606 3537 1 15 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.044 -0.024 19606 3538 1 15 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.690 -0.006 19606 3539 1 15 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.603 0.032 19606 3540 1 15 . 1 1 27 27 LEU H H 27 7.650 7.650 7.752 -0.102 19606 3541 1 15 . 1 1 28 28 ASN N N 28 117.933 117.933 117.627 0.306 19606 3542 1 15 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.275 -0.224 19606 3543 1 15 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.988 -0.089 19606 3544 1 15 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.880 0.403 19606 3545 1 15 . 1 1 28 28 ASN H H 28 8.593 8.593 8.275 0.318 19606 3546 1 15 . 1 1 29 29 LEU N N 29 119.088 119.088 121.206 -2.118 19606 3547 1 15 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.191 -0.162 19606 3548 1 15 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.739 0.488 19606 3549 1 15 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.459 0.717 19606 3550 1 15 . 1 1 29 29 LEU H H 29 8.255 8.255 7.642 0.613 19606 3551 1 15 . 1 1 30 30 ARG N N 30 119.126 119.126 119.698 -0.572 19606 3552 1 15 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.102 -0.127 19606 3553 1 15 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.565 1.309 19606 3554 1 15 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.392 0.747 19606 3555 1 15 . 1 1 30 30 ARG H H 30 7.658 7.658 7.709 -0.051 19606 3556 1 15 . 1 1 31 31 LEU N N 31 119.791 119.791 120.649 -0.858 19606 3557 1 15 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.116 -0.066 19606 3558 1 15 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.129 0.462 19606 3559 1 15 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.316 1.376 19606 3560 1 15 . 1 1 31 31 LEU H H 31 8.557 8.557 8.464 0.093 19606 3561 1 15 . 1 1 32 32 LEU N N 32 121.080 121.080 120.166 0.914 19606 3562 1 15 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.812 -0.339 19606 3563 1 15 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.435 0.133 19606 3564 1 15 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.475 -0.255 19606 3565 1 15 . 1 1 32 32 LEU H H 32 8.822 8.822 7.820 1.002 19606 3566 1 15 . 1 1 33 33 LYS N N 33 116.581 116.581 116.362 0.219 19606 3567 1 15 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.162 -0.539 19606 3568 1 15 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.661 1.008 19606 3569 1 15 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.830 0.469 19606 3570 1 15 . 1 1 33 33 LYS H H 33 7.510 7.510 7.679 -0.169 19606 3571 1 15 . 1 1 34 34 LYS N N 34 121.781 121.781 118.648 3.133 19606 3572 1 15 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.076 -0.278 19606 3573 1 15 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.168 1.141 19606 3574 1 15 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.472 1.049 19606 3575 1 15 . 1 1 34 34 LYS H H 34 7.915 7.915 7.599 0.316 19606 3576 1 15 . 1 1 35 35 HIS N N 35 113.017 113.017 114.162 -1.145 19606 3577 1 15 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.630 0.148 19606 3578 1 15 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.129 -0.592 19606 3579 1 15 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.976 0.246 19606 3580 1 15 . 1 1 35 35 HIS H H 35 7.662 7.662 8.068 -0.406 19606 3581 1 15 . 1 1 36 36 ASN N N 36 119.419 119.419 116.418 3.001 19606 3582 1 15 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.427 -0.172 19606 3583 1 15 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.243 0.821 19606 3584 1 15 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.945 1.258 19606 3585 1 15 . 1 1 36 36 ASN H H 36 7.781 7.781 7.969 -0.188 19606 3586 1 15 . 1 1 37 37 TYR N N 37 107.213 107.213 113.396 -6.183 19606 3587 1 15 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.067 0.142 19606 3588 1 15 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.686 1.122 19606 3589 1 15 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.005 -2.051 19606 3590 1 15 . 1 1 37 37 TYR H H 37 9.103 9.103 8.874 0.229 19606 3591 1 15 . 1 1 38 38 ASN N N 38 116.482 116.482 118.487 -2.005 19606 3592 1 15 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.992 -0.177 19606 3593 1 15 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.598 1.080 19606 3594 1 15 . 1 1 38 38 ASN CB C 38 38.481 38.481 39.073 -0.592 19606 3595 1 15 . 1 1 38 38 ASN H H 38 7.249 7.249 7.993 -0.744 19606 3596 1 15 . 1 1 39 39 ILE N N 39 126.777 126.777 125.098 1.679 19606 3597 1 15 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.657 0.118 19606 3598 1 15 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.454 -0.442 19606 3599 1 15 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.253 0.184 19606 3600 1 15 . 1 1 39 39 ILE H H 39 8.568 8.568 8.545 0.023 19606 3601 1 15 . 1 1 40 40 LEU N N 40 122.044 122.044 117.904 4.140 19606 3602 1 15 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.838 0.179 19606 3603 1 15 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.065 0.135 19606 3604 1 15 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.159 -0.460 19606 3605 1 15 . 1 1 40 40 LEU H H 40 7.993 7.993 7.953 0.040 19606 3606 1 15 . 1 1 41 41 GLN N N 41 119.421 119.421 116.192 3.229 19606 3607 1 15 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.867 -0.111 19606 3608 1 15 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.423 0.895 19606 3609 1 15 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.658 0.446 19606 3610 1 15 . 1 1 41 41 GLN H H 41 7.555 7.555 7.491 0.064 19606 3611 1 15 . 1 1 42 42 VAL N N 42 119.806 119.806 121.595 -1.789 19606 3612 1 15 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.630 -0.438 19606 3613 1 15 . 1 1 42 42 VAL CA C 42 67.354 67.354 67.112 0.242 19606 3614 1 15 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.686 -0.141 19606 3615 1 15 . 1 1 42 42 VAL H H 42 7.454 7.454 8.092 -0.638 19606 3616 1 15 . 1 1 43 43 VAL N N 43 118.511 118.511 119.417 -0.906 19606 3617 1 15 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.303 -0.163 19606 3618 1 15 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.295 -0.327 19606 3619 1 15 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.578 0.189 19606 3620 1 15 . 1 1 43 43 VAL H H 43 8.396 8.396 8.331 0.065 19606 3621 1 15 . 1 1 44 44 THR N N 44 114.155 114.155 116.020 -1.865 19606 3622 1 15 . 1 1 44 44 THR HA H 44 3.673 3.673 3.828 -0.155 19606 3623 1 15 . 1 1 44 44 THR CA C 44 67.784 67.784 67.577 0.207 19606 3624 1 15 . 1 1 44 44 THR CB C 44 68.711 68.711 68.507 0.204 19606 3625 1 15 . 1 1 44 44 THR H H 44 7.767 7.767 7.566 0.201 19606 3626 1 15 . 1 1 45 45 GLU N N 45 121.134 121.134 121.872 -0.738 19606 3627 1 15 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.126 -0.084 19606 3628 1 15 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.553 0.682 19606 3629 1 15 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.467 -0.865 19606 3630 1 15 . 1 1 45 45 GLU H H 45 7.326 7.326 7.614 -0.288 19606 3631 1 15 . 1 1 46 46 LEU N N 46 120.965 120.965 119.746 1.219 19606 3632 1 15 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.823 -0.073 19606 3633 1 15 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.772 0.535 19606 3634 1 15 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.762 0.754 19606 3635 1 15 . 1 1 46 46 LEU H H 46 8.362 8.362 7.801 0.561 19606 3636 1 15 . 1 1 47 47 LEU N N 47 118.138 118.138 120.528 -2.390 19606 3637 1 15 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.277 -0.093 19606 3638 1 15 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.388 -1.161 19606 3639 1 15 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.977 0.140 19606 3640 1 15 . 1 1 47 47 LEU H H 47 8.200 8.200 8.480 -0.280 19606 3641 1 15 . 1 1 48 48 GLN N N 48 118.147 118.147 117.987 0.160 19606 3642 1 15 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.044 0.152 19606 3643 1 15 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.634 -1.113 19606 3644 1 15 . 1 1 48 48 GLN CB C 48 28.501 28.501 29.096 -0.595 19606 3645 1 15 . 1 1 48 48 GLN H H 48 7.643 7.643 7.912 -0.269 19606 3646 1 15 . 1 1 49 49 LEU N N 49 119.709 119.709 120.598 -0.889 19606 3647 1 15 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.146 0.080 19606 3648 1 15 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.835 -1.499 19606 3649 1 15 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.606 0.727 19606 3650 1 15 . 1 1 49 49 LEU H H 49 7.966 7.966 8.619 -0.653 19606 3651 1 15 . 1 1 50 50 ASN N N 50 117.058 117.058 113.590 3.468 19606 3652 1 15 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.785 -0.054 19606 3653 1 15 . 1 1 50 50 ASN CA C 50 53.671 53.671 53.396 0.275 19606 3654 1 15 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.890 0.301 19606 3655 1 15 . 1 1 50 50 ASN H H 50 7.930 7.930 8.072 -0.142 19606 3656 1 15 . 1 1 51 51 ASN N N 51 119.097 119.097 118.435 0.662 19606 3657 1 15 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.775 0.031 19606 3658 1 15 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.179 -0.744 19606 3659 1 15 . 1 1 51 51 ASN CB C 51 39.175 39.175 40.307 -1.133 19606 3660 1 15 . 1 1 51 51 ASN H H 51 8.114 8.114 8.183 -0.069 19606 3661 1 16 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.482 0.247 19606 3662 1 16 . 1 1 2 2 PRO CA C 2 63.151 63.151 64.056 -0.905 19606 3663 1 16 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.379 -0.022 19606 3664 1 16 . 1 1 3 3 LEU N N 3 122.408 122.408 118.408 4.000 19606 3665 1 16 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.659 -0.303 19606 3666 1 16 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.687 0.745 19606 3667 1 16 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.502 -0.188 19606 3668 1 16 . 1 1 3 3 LEU H H 3 8.542 8.542 8.118 0.424 19606 3669 1 16 . 1 1 4 4 GLY N N 4 109.946 109.946 107.246 2.700 19606 3670 1 16 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.216 1.078 19606 3671 1 16 . 1 1 4 4 GLY H H 4 8.406 8.406 7.371 1.035 19606 3672 1 16 . 1 1 5 5 SER N N 5 115.532 115.532 114.855 0.677 19606 3673 1 16 . 1 1 5 5 SER HA H 5 4.501 4.501 4.799 -0.298 19606 3674 1 16 . 1 1 5 5 SER CA C 5 58.036 58.036 57.528 0.508 19606 3675 1 16 . 1 1 5 5 SER CB C 5 64.169 64.169 65.566 -1.397 19606 3676 1 16 . 1 1 5 5 SER H H 5 8.216 8.216 8.307 -0.091 19606 3677 1 16 . 1 1 6 6 SER N N 6 117.955 117.955 118.530 -0.575 19606 3678 1 16 . 1 1 6 6 SER HA H 6 4.420 4.420 4.751 -0.331 19606 3679 1 16 . 1 1 6 6 SER CA C 6 58.902 58.902 57.875 1.027 19606 3680 1 16 . 1 1 6 6 SER CB C 6 63.798 63.798 63.590 0.208 19606 3681 1 16 . 1 1 6 6 SER H H 6 8.460 8.460 8.686 -0.226 19606 3682 1 16 . 1 1 7 7 GLU N N 7 122.747 122.747 125.730 -2.983 19606 3683 1 16 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.026 -0.001 19606 3684 1 16 . 1 1 7 7 GLU CA C 7 58.068 58.068 59.152 -1.084 19606 3685 1 16 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.909 -0.156 19606 3686 1 16 . 1 1 7 7 GLU H H 7 8.550 8.550 8.834 -0.284 19606 3687 1 16 . 1 1 8 8 ASP N N 8 120.868 120.868 119.244 1.624 19606 3688 1 16 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.281 0.214 19606 3689 1 16 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.888 -1.298 19606 3690 1 16 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.555 0.107 19606 3691 1 16 . 1 1 8 8 ASP H H 8 8.293 8.293 8.489 -0.196 19606 3692 1 16 . 1 1 9 9 GLN N N 9 121.706 121.706 117.330 4.376 19606 3693 1 16 . 1 1 9 9 GLN HA H 9 4.335 4.335 3.979 0.356 19606 3694 1 16 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.578 -1.085 19606 3695 1 16 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.261 0.478 19606 3696 1 16 . 1 1 9 9 GLN H H 9 8.290 8.290 7.962 0.328 19606 3697 1 16 . 1 1 10 10 THR N N 10 115.700 115.700 117.247 -1.547 19606 3698 1 16 . 1 1 10 10 THR HA H 10 3.802 3.802 3.776 0.026 19606 3699 1 16 . 1 1 10 10 THR CA C 10 67.728 67.728 65.806 1.922 19606 3700 1 16 . 1 1 10 10 THR CB C 10 68.615 68.615 68.365 0.250 19606 3701 1 16 . 1 1 10 10 THR H H 10 8.193 8.193 8.154 0.039 19606 3702 1 16 . 1 1 11 11 ALA N N 11 123.074 123.074 122.510 0.564 19606 3703 1 16 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.032 -0.003 19606 3704 1 16 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.723 0.962 19606 3705 1 16 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.042 -0.077 19606 3706 1 16 . 1 1 11 11 ALA H H 11 8.242 8.242 7.731 0.511 19606 3707 1 16 . 1 1 12 12 ALA N N 12 121.630 121.630 119.746 1.884 19606 3708 1 16 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.035 0.139 19606 3709 1 16 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.175 0.787 19606 3710 1 16 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.402 -0.193 19606 3711 1 16 . 1 1 12 12 ALA H H 12 7.994 7.994 7.569 0.425 19606 3712 1 16 . 1 1 13 13 LEU N N 13 118.959 118.959 119.198 -0.239 19606 3713 1 16 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.688 0.492 19606 3714 1 16 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.165 0.919 19606 3715 1 16 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.809 0.329 19606 3716 1 16 . 1 1 13 13 LEU H H 13 8.084 8.084 7.414 0.670 19606 3717 1 16 . 1 1 14 14 MET N N 14 118.344 118.344 114.857 3.487 19606 3718 1 16 . 1 1 14 14 MET HA H 14 4.251 4.251 3.648 0.603 19606 3719 1 16 . 1 1 14 14 MET CA C 14 57.168 57.168 58.361 -1.193 19606 3720 1 16 . 1 1 14 14 MET CB C 14 30.824 30.824 31.576 -0.752 19606 3721 1 16 . 1 1 14 14 MET H H 14 8.735 8.735 8.356 0.379 19606 3722 1 16 . 1 1 15 15 ALA N N 15 121.078 121.078 120.864 0.214 19606 3723 1 16 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.183 -0.051 19606 3724 1 16 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.663 0.621 19606 3725 1 16 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.961 -0.110 19606 3726 1 16 . 1 1 15 15 ALA H H 15 7.934 7.934 7.629 0.305 19606 3727 1 16 . 1 1 16 16 HIS N N 16 117.529 117.529 117.337 0.192 19606 3728 1 16 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.604 -0.064 19606 3729 1 16 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.572 1.229 19606 3730 1 16 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.230 0.360 19606 3731 1 16 . 1 1 16 16 HIS H H 16 7.779 7.779 7.471 0.308 19606 3732 1 16 . 1 1 17 17 LEU N N 17 118.416 118.416 118.657 -0.241 19606 3733 1 16 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.293 -0.100 19606 3734 1 16 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.091 0.572 19606 3735 1 16 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.733 -0.697 19606 3736 1 16 . 1 1 17 17 LEU H H 17 8.108 8.108 7.204 0.904 19606 3737 1 16 . 1 1 18 18 PHE N N 18 120.735 120.735 118.679 2.056 19606 3738 1 16 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.186 0.052 19606 3739 1 16 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.477 0.664 19606 3740 1 16 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.541 0.945 19606 3741 1 16 . 1 1 18 18 PHE H H 18 8.671 8.671 7.453 1.218 19606 3742 1 16 . 1 1 19 19 GLU N N 19 120.792 120.792 118.369 2.423 19606 3743 1 16 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.112 -0.064 19606 3744 1 16 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.660 0.335 19606 3745 1 16 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.545 -0.144 19606 3746 1 16 . 1 1 19 19 GLU H H 19 8.274 8.274 7.817 0.457 19606 3747 1 16 . 1 1 20 20 MET N N 20 116.057 116.057 116.199 -0.142 19606 3748 1 16 . 1 1 20 20 MET HA H 20 4.171 4.171 4.379 -0.208 19606 3749 1 16 . 1 1 20 20 MET CA C 20 56.651 56.651 55.782 0.869 19606 3750 1 16 . 1 1 20 20 MET CB C 20 34.798 34.798 33.367 1.431 19606 3751 1 16 . 1 1 20 20 MET H H 20 7.428 7.428 8.190 -0.762 19606 3752 1 16 . 1 1 21 21 GLY N N 21 104.987 104.987 104.096 0.891 19606 3753 1 16 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.875 -0.018 19606 3754 1 16 . 1 1 21 21 GLY H H 21 7.655 7.655 7.736 -0.081 19606 3755 1 16 . 1 1 22 22 PHE N N 22 123.944 123.944 120.660 3.284 19606 3756 1 16 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.232 0.609 19606 3757 1 16 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.330 -4.703 19606 3758 1 16 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.575 -2.166 19606 3759 1 16 . 1 1 22 22 PHE H H 22 7.893 7.893 7.392 0.501 19606 3760 1 16 . 1 1 23 23 CYS N N 23 119.030 119.030 117.960 1.070 19606 3761 1 16 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.222 -0.339 19606 3762 1 16 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.938 -2.090 19606 3763 1 16 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.289 2.079 19606 3764 1 16 . 1 1 23 23 CYS H H 23 7.872 7.872 8.717 -0.845 19606 3765 1 16 . 1 1 24 24 ASP N N 24 123.683 123.683 120.946 2.737 19606 3766 1 16 . 1 1 24 24 ASP HA H 24 4.732 4.732 5.023 -0.291 19606 3767 1 16 . 1 1 24 24 ASP CA C 24 52.560 52.560 54.111 -1.551 19606 3768 1 16 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.821 -1.513 19606 3769 1 16 . 1 1 24 24 ASP H H 24 9.239 9.239 8.647 0.592 19606 3770 1 16 . 1 1 25 25 ARG N N 25 124.745 124.745 123.021 1.724 19606 3771 1 16 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.200 -0.200 19606 3772 1 16 . 1 1 25 25 ARG CA C 25 60.689 60.689 58.951 1.738 19606 3773 1 16 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.808 1.441 19606 3774 1 16 . 1 1 25 25 ARG H H 25 8.311 8.311 8.708 -0.397 19606 3775 1 16 . 1 1 26 26 GLN N N 26 115.947 115.947 118.193 -2.246 19606 3776 1 16 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.147 -0.115 19606 3777 1 16 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.992 0.172 19606 3778 1 16 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.196 0.045 19606 3779 1 16 . 1 1 26 26 GLN H H 26 8.305 8.305 8.502 -0.197 19606 3780 1 16 . 1 1 27 27 LEU N N 27 124.102 124.102 121.564 2.538 19606 3781 1 16 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.982 0.038 19606 3782 1 16 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.059 -0.375 19606 3783 1 16 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.332 0.303 19606 3784 1 16 . 1 1 27 27 LEU H H 27 7.650 7.650 7.603 0.047 19606 3785 1 16 . 1 1 28 28 ASN N N 28 117.933 117.933 117.201 0.732 19606 3786 1 16 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.272 -0.221 19606 3787 1 16 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.888 0.011 19606 3788 1 16 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.787 0.496 19606 3789 1 16 . 1 1 28 28 ASN H H 28 8.593 8.593 8.153 0.440 19606 3790 1 16 . 1 1 29 29 LEU N N 29 119.088 119.088 121.502 -2.414 19606 3791 1 16 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.165 -0.136 19606 3792 1 16 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.797 0.430 19606 3793 1 16 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.451 0.725 19606 3794 1 16 . 1 1 29 29 LEU H H 29 8.255 8.255 7.504 0.751 19606 3795 1 16 . 1 1 30 30 ARG N N 30 119.126 119.126 119.620 -0.494 19606 3796 1 16 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.111 -0.136 19606 3797 1 16 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.552 1.322 19606 3798 1 16 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.442 0.697 19606 3799 1 16 . 1 1 30 30 ARG H H 30 7.658 7.658 7.940 -0.282 19606 3800 1 16 . 1 1 31 31 LEU N N 31 119.791 119.791 120.756 -0.965 19606 3801 1 16 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.128 -0.078 19606 3802 1 16 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.190 0.401 19606 3803 1 16 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.325 1.367 19606 3804 1 16 . 1 1 31 31 LEU H H 31 8.557 8.557 8.444 0.113 19606 3805 1 16 . 1 1 32 32 LEU N N 32 121.080 121.080 120.090 0.990 19606 3806 1 16 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.800 -0.327 19606 3807 1 16 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.472 0.097 19606 3808 1 16 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.488 -0.268 19606 3809 1 16 . 1 1 32 32 LEU H H 32 8.822 8.822 7.969 0.853 19606 3810 1 16 . 1 1 33 33 LYS N N 33 116.581 116.581 115.882 0.699 19606 3811 1 16 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.152 -0.529 19606 3812 1 16 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.763 0.906 19606 3813 1 16 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.947 0.352 19606 3814 1 16 . 1 1 33 33 LYS H H 33 7.510 7.510 7.609 -0.099 19606 3815 1 16 . 1 1 34 34 LYS N N 34 121.781 121.781 118.425 3.356 19606 3816 1 16 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.057 -0.259 19606 3817 1 16 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.261 1.048 19606 3818 1 16 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.570 0.951 19606 3819 1 16 . 1 1 34 34 LYS H H 34 7.915 7.915 7.370 0.545 19606 3820 1 16 . 1 1 35 35 HIS N N 35 113.017 113.017 114.138 -1.121 19606 3821 1 16 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.656 0.122 19606 3822 1 16 . 1 1 35 35 HIS CA C 35 55.537 55.537 55.909 -0.372 19606 3823 1 16 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.011 0.211 19606 3824 1 16 . 1 1 35 35 HIS H H 35 7.662 7.662 7.930 -0.268 19606 3825 1 16 . 1 1 36 36 ASN N N 36 119.419 119.419 117.598 1.821 19606 3826 1 16 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.452 -0.197 19606 3827 1 16 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.089 0.975 19606 3828 1 16 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.791 0.412 19606 3829 1 16 . 1 1 36 36 ASN H H 36 7.781 7.781 7.913 -0.132 19606 3830 1 16 . 1 1 37 37 TYR N N 37 107.213 107.213 112.672 -5.459 19606 3831 1 16 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.074 0.135 19606 3832 1 16 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.780 1.028 19606 3833 1 16 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.160 -2.206 19606 3834 1 16 . 1 1 37 37 TYR H H 37 9.103 9.103 8.667 0.436 19606 3835 1 16 . 1 1 38 38 ASN N N 38 116.482 116.482 118.561 -2.079 19606 3836 1 16 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.989 -0.174 19606 3837 1 16 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.476 1.202 19606 3838 1 16 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.995 -0.514 19606 3839 1 16 . 1 1 38 38 ASN H H 38 7.249 7.249 7.960 -0.711 19606 3840 1 16 . 1 1 39 39 ILE N N 39 126.777 126.777 125.312 1.465 19606 3841 1 16 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.652 0.123 19606 3842 1 16 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.451 -0.439 19606 3843 1 16 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.250 0.187 19606 3844 1 16 . 1 1 39 39 ILE H H 39 8.568 8.568 8.519 0.049 19606 3845 1 16 . 1 1 40 40 LEU N N 40 122.044 122.044 117.388 4.656 19606 3846 1 16 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.827 0.191 19606 3847 1 16 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.127 0.073 19606 3848 1 16 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.084 -0.385 19606 3849 1 16 . 1 1 40 40 LEU H H 40 7.993 7.993 7.965 0.028 19606 3850 1 16 . 1 1 41 41 GLN N N 41 119.421 119.421 117.250 2.171 19606 3851 1 16 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.859 -0.103 19606 3852 1 16 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.144 0.174 19606 3853 1 16 . 1 1 41 41 GLN CB C 41 28.104 28.104 28.112 -0.008 19606 3854 1 16 . 1 1 41 41 GLN H H 41 7.555 7.555 7.496 0.059 19606 3855 1 16 . 1 1 42 42 VAL N N 42 119.806 119.806 121.517 -1.711 19606 3856 1 16 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.615 -0.423 19606 3857 1 16 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.962 0.392 19606 3858 1 16 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.608 -0.063 19606 3859 1 16 . 1 1 42 42 VAL H H 42 7.454 7.454 8.188 -0.734 19606 3860 1 16 . 1 1 43 43 VAL N N 43 118.511 118.511 118.982 -0.471 19606 3861 1 16 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.404 -0.264 19606 3862 1 16 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.225 0.743 19606 3863 1 16 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.570 1.197 19606 3864 1 16 . 1 1 43 43 VAL H H 43 8.396 8.396 8.404 -0.008 19606 3865 1 16 . 1 1 44 44 THR N N 44 114.155 114.155 115.845 -1.690 19606 3866 1 16 . 1 1 44 44 THR HA H 44 3.673 3.673 3.907 -0.234 19606 3867 1 16 . 1 1 44 44 THR CA C 44 67.784 67.784 66.831 0.953 19606 3868 1 16 . 1 1 44 44 THR CB C 44 68.711 68.711 68.154 0.557 19606 3869 1 16 . 1 1 44 44 THR H H 44 7.767 7.767 7.610 0.157 19606 3870 1 16 . 1 1 45 45 GLU N N 45 121.134 121.134 121.958 -0.824 19606 3871 1 16 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.160 -0.118 19606 3872 1 16 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.295 0.940 19606 3873 1 16 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.292 -0.690 19606 3874 1 16 . 1 1 45 45 GLU H H 45 7.326 7.326 7.664 -0.338 19606 3875 1 16 . 1 1 46 46 LEU N N 46 120.965 120.965 119.754 1.211 19606 3876 1 16 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.841 -0.091 19606 3877 1 16 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.965 0.342 19606 3878 1 16 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.865 0.651 19606 3879 1 16 . 1 1 46 46 LEU H H 46 8.362 8.362 7.738 0.624 19606 3880 1 16 . 1 1 47 47 LEU N N 47 118.138 118.138 120.015 -1.877 19606 3881 1 16 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.120 0.064 19606 3882 1 16 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.576 -1.349 19606 3883 1 16 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.814 0.303 19606 3884 1 16 . 1 1 47 47 LEU H H 47 8.200 8.200 8.459 -0.259 19606 3885 1 16 . 1 1 48 48 GLN N N 48 118.147 118.147 118.084 0.063 19606 3886 1 16 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.934 0.262 19606 3887 1 16 . 1 1 48 48 GLN CA C 48 57.521 57.521 59.097 -1.576 19606 3888 1 16 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.691 -0.190 19606 3889 1 16 . 1 1 48 48 GLN H H 48 7.643 7.643 7.816 -0.173 19606 3890 1 16 . 1 1 49 49 LEU N N 49 119.709 119.709 120.084 -0.375 19606 3891 1 16 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.089 0.137 19606 3892 1 16 . 1 1 49 49 LEU CA C 49 56.336 56.336 58.007 -1.671 19606 3893 1 16 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.391 0.943 19606 3894 1 16 . 1 1 49 49 LEU H H 49 7.966 7.966 8.627 -0.661 19606 3895 1 16 . 1 1 50 50 ASN N N 50 117.058 117.058 116.595 0.463 19606 3896 1 16 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.661 0.070 19606 3897 1 16 . 1 1 50 50 ASN CA C 50 53.671 53.671 54.640 -0.969 19606 3898 1 16 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.728 0.463 19606 3899 1 16 . 1 1 50 50 ASN H H 50 7.930 7.930 8.044 -0.114 19606 3900 1 16 . 1 1 51 51 ASN N N 51 119.097 119.097 117.576 1.521 19606 3901 1 16 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.641 0.165 19606 3902 1 16 . 1 1 51 51 ASN CA C 51 53.435 53.435 53.541 -0.106 19606 3903 1 16 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.092 0.083 19606 3904 1 16 . 1 1 51 51 ASN H H 51 8.114 8.114 8.054 0.060 19606 3905 1 17 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.433 0.296 19606 3906 1 17 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.110 0.041 19606 3907 1 17 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.228 0.129 19606 3908 1 17 . 1 1 3 3 LEU N N 3 122.408 122.408 118.725 3.683 19606 3909 1 17 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.125 0.231 19606 3910 1 17 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.461 -0.029 19606 3911 1 17 . 1 1 3 3 LEU CB C 3 42.314 42.314 40.456 1.858 19606 3912 1 17 . 1 1 3 3 LEU H H 3 8.542 8.542 8.117 0.425 19606 3913 1 17 . 1 1 4 4 GLY N N 4 109.946 109.946 107.496 2.450 19606 3914 1 17 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.909 0.385 19606 3915 1 17 . 1 1 4 4 GLY H H 4 8.406 8.406 7.889 0.517 19606 3916 1 17 . 1 1 5 5 SER N N 5 115.532 115.532 117.859 -2.327 19606 3917 1 17 . 1 1 5 5 SER HA H 5 4.501 4.501 4.803 -0.302 19606 3918 1 17 . 1 1 5 5 SER CA C 5 58.036 58.036 58.196 -0.160 19606 3919 1 17 . 1 1 5 5 SER CB C 5 64.169 64.169 63.331 0.838 19606 3920 1 17 . 1 1 5 5 SER H H 5 8.216 8.216 8.195 0.021 19606 3921 1 17 . 1 1 6 6 SER N N 6 117.955 117.955 122.142 -4.187 19606 3922 1 17 . 1 1 6 6 SER HA H 6 4.420 4.420 4.592 -0.172 19606 3923 1 17 . 1 1 6 6 SER CA C 6 58.902 58.902 58.025 0.877 19606 3924 1 17 . 1 1 6 6 SER CB C 6 63.798 63.798 65.013 -1.215 19606 3925 1 17 . 1 1 6 6 SER H H 6 8.460 8.460 8.518 -0.058 19606 3926 1 17 . 1 1 7 7 GLU N N 7 122.747 122.747 123.936 -1.189 19606 3927 1 17 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.205 -0.180 19606 3928 1 17 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.126 -0.058 19606 3929 1 17 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.207 -0.454 19606 3930 1 17 . 1 1 7 7 GLU H H 7 8.550 8.550 8.901 -0.351 19606 3931 1 17 . 1 1 8 8 ASP N N 8 120.868 120.868 118.863 2.005 19606 3932 1 17 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.346 0.149 19606 3933 1 17 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.796 -1.206 19606 3934 1 17 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.680 -0.018 19606 3935 1 17 . 1 1 8 8 ASP H H 8 8.293 8.293 8.605 -0.312 19606 3936 1 17 . 1 1 9 9 GLN N N 9 121.706 121.706 118.896 2.810 19606 3937 1 17 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.091 0.244 19606 3938 1 17 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.554 -1.061 19606 3939 1 17 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.449 0.290 19606 3940 1 17 . 1 1 9 9 GLN H H 9 8.290 8.290 7.679 0.611 19606 3941 1 17 . 1 1 10 10 THR N N 10 115.700 115.700 117.195 -1.495 19606 3942 1 17 . 1 1 10 10 THR HA H 10 3.802 3.802 3.706 0.096 19606 3943 1 17 . 1 1 10 10 THR CA C 10 67.728 67.728 66.361 1.367 19606 3944 1 17 . 1 1 10 10 THR CB C 10 68.615 68.615 68.297 0.318 19606 3945 1 17 . 1 1 10 10 THR H H 10 8.193 8.193 7.674 0.519 19606 3946 1 17 . 1 1 11 11 ALA N N 11 123.074 123.074 121.807 1.267 19606 3947 1 17 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.078 -0.049 19606 3948 1 17 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.650 1.035 19606 3949 1 17 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.172 -0.206 19606 3950 1 17 . 1 1 11 11 ALA H H 11 8.242 8.242 7.566 0.676 19606 3951 1 17 . 1 1 12 12 ALA N N 12 121.630 121.630 121.114 0.516 19606 3952 1 17 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.074 0.100 19606 3953 1 17 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.338 0.624 19606 3954 1 17 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.386 -0.177 19606 3955 1 17 . 1 1 12 12 ALA H H 12 7.994 7.994 7.526 0.468 19606 3956 1 17 . 1 1 13 13 LEU N N 13 118.959 118.959 118.555 0.404 19606 3957 1 17 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.342 0.838 19606 3958 1 17 . 1 1 13 13 LEU CA C 13 58.084 58.084 56.910 1.174 19606 3959 1 17 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.448 0.690 19606 3960 1 17 . 1 1 13 13 LEU H H 13 8.084 8.084 7.331 0.753 19606 3961 1 17 . 1 1 14 14 MET N N 14 118.344 118.344 116.243 2.101 19606 3962 1 17 . 1 1 14 14 MET HA H 14 4.251 4.251 3.587 0.664 19606 3963 1 17 . 1 1 14 14 MET CA C 14 57.168 57.168 58.596 -1.428 19606 3964 1 17 . 1 1 14 14 MET CB C 14 30.824 30.824 32.074 -1.250 19606 3965 1 17 . 1 1 14 14 MET H H 14 8.735 8.735 7.810 0.925 19606 3966 1 17 . 1 1 15 15 ALA N N 15 121.078 121.078 120.309 0.769 19606 3967 1 17 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.229 -0.097 19606 3968 1 17 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.856 0.428 19606 3969 1 17 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.976 -0.125 19606 3970 1 17 . 1 1 15 15 ALA H H 15 7.934 7.934 7.529 0.405 19606 3971 1 17 . 1 1 16 16 HIS N N 16 117.529 117.529 116.512 1.017 19606 3972 1 17 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.549 -0.009 19606 3973 1 17 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.481 1.320 19606 3974 1 17 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.137 0.452 19606 3975 1 17 . 1 1 16 16 HIS H H 16 7.779 7.779 7.440 0.339 19606 3976 1 17 . 1 1 17 17 LEU N N 17 118.416 118.416 119.121 -0.705 19606 3977 1 17 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.281 -0.088 19606 3978 1 17 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.141 0.522 19606 3979 1 17 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.624 -0.588 19606 3980 1 17 . 1 1 17 17 LEU H H 17 8.108 8.108 7.180 0.928 19606 3981 1 17 . 1 1 18 18 PHE N N 18 120.735 120.735 118.366 2.369 19606 3982 1 17 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.153 0.085 19606 3983 1 17 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.327 0.814 19606 3984 1 17 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.510 0.976 19606 3985 1 17 . 1 1 18 18 PHE H H 18 8.671 8.671 7.546 1.125 19606 3986 1 17 . 1 1 19 19 GLU N N 19 120.792 120.792 118.872 1.920 19606 3987 1 17 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.066 -0.018 19606 3988 1 17 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.987 0.008 19606 3989 1 17 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.388 0.013 19606 3990 1 17 . 1 1 19 19 GLU H H 19 8.274 8.274 7.890 0.384 19606 3991 1 17 . 1 1 20 20 MET N N 20 116.057 116.057 117.231 -1.174 19606 3992 1 17 . 1 1 20 20 MET HA H 20 4.171 4.171 4.286 -0.115 19606 3993 1 17 . 1 1 20 20 MET CA C 20 56.651 56.651 55.656 0.995 19606 3994 1 17 . 1 1 20 20 MET CB C 20 34.798 34.798 33.115 1.683 19606 3995 1 17 . 1 1 20 20 MET H H 20 7.428 7.428 7.922 -0.494 19606 3996 1 17 . 1 1 21 21 GLY N N 21 104.987 104.987 103.786 1.201 19606 3997 1 17 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.831 0.025 19606 3998 1 17 . 1 1 21 21 GLY H H 21 7.655 7.655 7.654 0.001 19606 3999 1 17 . 1 1 22 22 PHE N N 22 123.944 123.944 119.713 4.231 19606 4000 1 17 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.273 0.568 19606 4001 1 17 . 1 1 22 22 PHE CA C 22 56.627 56.627 61.076 -4.449 19606 4002 1 17 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.367 -1.958 19606 4003 1 17 . 1 1 22 22 PHE H H 22 7.893 7.893 7.156 0.737 19606 4004 1 17 . 1 1 23 23 CYS N N 23 119.030 119.030 118.263 0.767 19606 4005 1 17 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.309 -0.426 19606 4006 1 17 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.836 -1.988 19606 4007 1 17 . 1 1 23 23 CYS CB C 23 28.368 28.368 27.300 1.067 19606 4008 1 17 . 1 1 23 23 CYS H H 23 7.872 7.872 8.665 -0.793 19606 4009 1 17 . 1 1 24 24 ASP N N 24 123.683 123.683 121.480 2.203 19606 4010 1 17 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.931 -0.199 19606 4011 1 17 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.942 -1.382 19606 4012 1 17 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.689 -1.381 19606 4013 1 17 . 1 1 24 24 ASP H H 24 9.239 9.239 8.636 0.603 19606 4014 1 17 . 1 1 25 25 ARG N N 25 124.745 124.745 124.047 0.698 19606 4015 1 17 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.195 -0.195 19606 4016 1 17 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.235 1.454 19606 4017 1 17 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.433 1.816 19606 4018 1 17 . 1 1 25 25 ARG H H 25 8.311 8.311 8.786 -0.475 19606 4019 1 17 . 1 1 26 26 GLN N N 26 115.947 115.947 118.292 -2.345 19606 4020 1 17 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.178 -0.146 19606 4021 1 17 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.878 0.286 19606 4022 1 17 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.126 0.115 19606 4023 1 17 . 1 1 26 26 GLN H H 26 8.305 8.305 8.506 -0.201 19606 4024 1 17 . 1 1 27 27 LEU N N 27 124.102 124.102 121.608 2.494 19606 4025 1 17 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.978 0.042 19606 4026 1 17 . 1 1 27 27 LEU CA C 27 57.684 57.684 58.073 -0.389 19606 4027 1 17 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.307 0.328 19606 4028 1 17 . 1 1 27 27 LEU H H 27 7.650 7.650 7.619 0.031 19606 4029 1 17 . 1 1 28 28 ASN N N 28 117.933 117.933 117.141 0.792 19606 4030 1 17 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.286 -0.235 19606 4031 1 17 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.884 0.015 19606 4032 1 17 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.813 0.470 19606 4033 1 17 . 1 1 28 28 ASN H H 28 8.593 8.593 8.117 0.476 19606 4034 1 17 . 1 1 29 29 LEU N N 29 119.088 119.088 121.483 -2.395 19606 4035 1 17 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.172 -0.143 19606 4036 1 17 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.785 0.442 19606 4037 1 17 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.462 0.714 19606 4038 1 17 . 1 1 29 29 LEU H H 29 8.255 8.255 7.510 0.745 19606 4039 1 17 . 1 1 30 30 ARG N N 30 119.126 119.126 119.650 -0.524 19606 4040 1 17 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.121 -0.146 19606 4041 1 17 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.579 1.295 19606 4042 1 17 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.435 0.704 19606 4043 1 17 . 1 1 30 30 ARG H H 30 7.658 7.658 7.985 -0.327 19606 4044 1 17 . 1 1 31 31 LEU N N 31 119.791 119.791 120.700 -0.909 19606 4045 1 17 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.187 -0.137 19606 4046 1 17 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.275 0.316 19606 4047 1 17 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.337 1.355 19606 4048 1 17 . 1 1 31 31 LEU H H 31 8.557 8.557 8.501 0.056 19606 4049 1 17 . 1 1 32 32 LEU N N 32 121.080 121.080 120.210 0.870 19606 4050 1 17 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.833 -0.360 19606 4051 1 17 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.478 0.091 19606 4052 1 17 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.521 -0.301 19606 4053 1 17 . 1 1 32 32 LEU H H 32 8.822 8.822 7.956 0.866 19606 4054 1 17 . 1 1 33 33 LYS N N 33 116.581 116.581 117.346 -0.765 19606 4055 1 17 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.171 -0.548 19606 4056 1 17 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.830 0.839 19606 4057 1 17 . 1 1 33 33 LYS CB C 33 32.299 32.299 32.115 0.184 19606 4058 1 17 . 1 1 33 33 LYS H H 33 7.510 7.510 7.600 -0.090 19606 4059 1 17 . 1 1 34 34 LYS N N 34 121.781 121.781 118.143 3.638 19606 4060 1 17 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.058 -0.260 19606 4061 1 17 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.407 0.902 19606 4062 1 17 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.431 1.090 19606 4063 1 17 . 1 1 34 34 LYS H H 34 7.915 7.915 7.224 0.691 19606 4064 1 17 . 1 1 35 35 HIS N N 35 113.017 113.017 114.551 -1.534 19606 4065 1 17 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.634 0.144 19606 4066 1 17 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.318 -0.781 19606 4067 1 17 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.125 0.097 19606 4068 1 17 . 1 1 35 35 HIS H H 35 7.662 7.662 8.191 -0.529 19606 4069 1 17 . 1 1 36 36 ASN N N 36 119.419 119.419 116.435 2.984 19606 4070 1 17 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.437 -0.182 19606 4071 1 17 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.205 0.859 19606 4072 1 17 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.891 1.312 19606 4073 1 17 . 1 1 36 36 ASN H H 36 7.781 7.781 7.942 -0.161 19606 4074 1 17 . 1 1 37 37 TYR N N 37 107.213 107.213 113.352 -6.139 19606 4075 1 17 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.042 0.167 19606 4076 1 17 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.722 1.086 19606 4077 1 17 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.004 -2.050 19606 4078 1 17 . 1 1 37 37 TYR H H 37 9.103 9.103 8.914 0.189 19606 4079 1 17 . 1 1 38 38 ASN N N 38 116.482 116.482 118.513 -2.031 19606 4080 1 17 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.976 -0.161 19606 4081 1 17 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.499 1.179 19606 4082 1 17 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.906 -0.425 19606 4083 1 17 . 1 1 38 38 ASN H H 38 7.249 7.249 8.018 -0.769 19606 4084 1 17 . 1 1 39 39 ILE N N 39 126.777 126.777 124.904 1.873 19606 4085 1 17 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.647 0.128 19606 4086 1 17 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.488 -0.476 19606 4087 1 17 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.244 0.193 19606 4088 1 17 . 1 1 39 39 ILE H H 39 8.568 8.568 8.472 0.096 19606 4089 1 17 . 1 1 40 40 LEU N N 40 122.044 122.044 117.560 4.484 19606 4090 1 17 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.853 0.165 19606 4091 1 17 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.159 0.041 19606 4092 1 17 . 1 1 40 40 LEU CB C 40 40.699 40.699 41.018 -0.319 19606 4093 1 17 . 1 1 40 40 LEU H H 40 7.993 7.993 8.002 -0.009 19606 4094 1 17 . 1 1 41 41 GLN N N 41 119.421 119.421 117.102 2.319 19606 4095 1 17 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.919 -0.163 19606 4096 1 17 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.046 0.272 19606 4097 1 17 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.889 0.215 19606 4098 1 17 . 1 1 41 41 GLN H H 41 7.555 7.555 7.540 0.015 19606 4099 1 17 . 1 1 42 42 VAL N N 42 119.806 119.806 121.614 -1.808 19606 4100 1 17 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.560 -0.368 19606 4101 1 17 . 1 1 42 42 VAL CA C 42 67.354 67.354 67.076 0.278 19606 4102 1 17 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.509 0.036 19606 4103 1 17 . 1 1 42 42 VAL H H 42 7.454 7.454 8.280 -0.826 19606 4104 1 17 . 1 1 43 43 VAL N N 43 118.511 118.511 118.902 -0.391 19606 4105 1 17 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.542 -0.402 19606 4106 1 17 . 1 1 43 43 VAL CA C 43 66.968 66.968 65.939 1.029 19606 4107 1 17 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.783 0.984 19606 4108 1 17 . 1 1 43 43 VAL H H 43 8.396 8.396 8.472 -0.076 19606 4109 1 17 . 1 1 44 44 THR N N 44 114.155 114.155 116.206 -2.051 19606 4110 1 17 . 1 1 44 44 THR HA H 44 3.673 3.673 3.934 -0.261 19606 4111 1 17 . 1 1 44 44 THR CA C 44 67.784 67.784 67.271 0.513 19606 4112 1 17 . 1 1 44 44 THR CB C 44 68.711 68.711 68.520 0.191 19606 4113 1 17 . 1 1 44 44 THR H H 44 7.767 7.767 7.593 0.174 19606 4114 1 17 . 1 1 45 45 GLU N N 45 121.134 121.134 122.117 -0.983 19606 4115 1 17 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.065 -0.023 19606 4116 1 17 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.580 0.655 19606 4117 1 17 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.403 -0.801 19606 4118 1 17 . 1 1 45 45 GLU H H 45 7.326 7.326 7.926 -0.600 19606 4119 1 17 . 1 1 46 46 LEU N N 46 120.965 120.965 120.179 0.786 19606 4120 1 17 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.898 -0.148 19606 4121 1 17 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.864 0.443 19606 4122 1 17 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.480 1.036 19606 4123 1 17 . 1 1 46 46 LEU H H 46 8.362 8.362 7.680 0.682 19606 4124 1 17 . 1 1 47 47 LEU N N 47 118.138 118.138 120.115 -1.977 19606 4125 1 17 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.165 0.018 19606 4126 1 17 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.492 -1.265 19606 4127 1 17 . 1 1 47 47 LEU CB C 47 42.117 42.117 40.835 1.282 19606 4128 1 17 . 1 1 47 47 LEU H H 47 8.200 8.200 7.571 0.629 19606 4129 1 17 . 1 1 48 48 GLN N N 48 118.147 118.147 117.795 0.352 19606 4130 1 17 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.042 0.154 19606 4131 1 17 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.038 -0.517 19606 4132 1 17 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.024 0.477 19606 4133 1 17 . 1 1 48 48 GLN H H 48 7.643 7.643 7.866 -0.223 19606 4134 1 17 . 1 1 49 49 LEU N N 49 119.709 119.709 121.302 -1.593 19606 4135 1 17 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.263 -0.037 19606 4136 1 17 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.328 -0.992 19606 4137 1 17 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.882 0.451 19606 4138 1 17 . 1 1 49 49 LEU H H 49 7.966 7.966 8.679 -0.713 19606 4139 1 17 . 1 1 50 50 ASN N N 50 117.058 117.058 116.311 0.747 19606 4140 1 17 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.599 0.132 19606 4141 1 17 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.211 -1.540 19606 4142 1 17 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.939 0.252 19606 4143 1 17 . 1 1 50 50 ASN H H 50 7.930 7.930 7.923 0.007 19606 4144 1 17 . 1 1 51 51 ASN N N 51 119.097 119.097 118.371 0.726 19606 4145 1 17 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.601 0.205 19606 4146 1 17 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.901 -1.466 19606 4147 1 17 . 1 1 51 51 ASN CB C 51 39.175 39.175 39.457 -0.282 19606 4148 1 17 . 1 1 51 51 ASN H H 51 8.114 8.114 8.010 0.104 19606 4149 1 18 . 1 1 2 2 PRO HA H 2 4.729 4.729 5.004 -0.275 19606 4150 1 18 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.688 0.463 19606 4151 1 18 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.511 -0.154 19606 4152 1 18 . 1 1 3 3 LEU N N 3 122.408 122.408 118.149 4.259 19606 4153 1 18 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.754 -0.398 19606 4154 1 18 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.003 1.429 19606 4155 1 18 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.876 -0.562 19606 4156 1 18 . 1 1 3 3 LEU H H 3 8.542 8.542 8.065 0.477 19606 4157 1 18 . 1 1 4 4 GLY N N 4 109.946 109.946 108.870 1.076 19606 4158 1 18 . 1 1 4 4 GLY CA C 4 45.294 45.294 45.081 0.213 19606 4159 1 18 . 1 1 4 4 GLY H H 4 8.406 8.406 8.582 -0.176 19606 4160 1 18 . 1 1 5 5 SER N N 5 115.532 115.532 117.377 -1.845 19606 4161 1 18 . 1 1 5 5 SER HA H 5 4.501 4.501 4.555 -0.054 19606 4162 1 18 . 1 1 5 5 SER CA C 5 58.036 58.036 58.418 -0.382 19606 4163 1 18 . 1 1 5 5 SER CB C 5 64.169 64.169 62.682 1.487 19606 4164 1 18 . 1 1 5 5 SER H H 5 8.216 8.216 8.503 -0.287 19606 4165 1 18 . 1 1 6 6 SER N N 6 117.955 117.955 119.086 -1.131 19606 4166 1 18 . 1 1 6 6 SER HA H 6 4.420 4.420 4.700 -0.280 19606 4167 1 18 . 1 1 6 6 SER CA C 6 58.902 58.902 57.588 1.314 19606 4168 1 18 . 1 1 6 6 SER CB C 6 63.798 63.798 65.711 -1.913 19606 4169 1 18 . 1 1 6 6 SER H H 6 8.460 8.460 7.894 0.566 19606 4170 1 18 . 1 1 7 7 GLU N N 7 122.747 122.747 122.041 0.706 19606 4171 1 18 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.381 -0.356 19606 4172 1 18 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.114 -0.046 19606 4173 1 18 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.096 -0.343 19606 4174 1 18 . 1 1 7 7 GLU H H 7 8.550 8.550 8.903 -0.353 19606 4175 1 18 . 1 1 8 8 ASP N N 8 120.868 120.868 118.422 2.446 19606 4176 1 18 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.373 0.122 19606 4177 1 18 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.990 -1.400 19606 4178 1 18 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.339 0.323 19606 4179 1 18 . 1 1 8 8 ASP H H 8 8.293 8.293 8.643 -0.350 19606 4180 1 18 . 1 1 9 9 GLN N N 9 121.706 121.706 117.948 3.758 19606 4181 1 18 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.091 0.244 19606 4182 1 18 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.629 -1.136 19606 4183 1 18 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.183 0.556 19606 4184 1 18 . 1 1 9 9 GLN H H 9 8.290 8.290 7.798 0.492 19606 4185 1 18 . 1 1 10 10 THR N N 10 115.700 115.700 115.977 -0.277 19606 4186 1 18 . 1 1 10 10 THR HA H 10 3.802 3.802 3.794 0.008 19606 4187 1 18 . 1 1 10 10 THR CA C 10 67.728 67.728 66.047 1.681 19606 4188 1 18 . 1 1 10 10 THR CB C 10 68.615 68.615 67.802 0.812 19606 4189 1 18 . 1 1 10 10 THR H H 10 8.193 8.193 7.707 0.486 19606 4190 1 18 . 1 1 11 11 ALA N N 11 123.074 123.074 122.262 0.812 19606 4191 1 18 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.071 -0.042 19606 4192 1 18 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.775 0.910 19606 4193 1 18 . 1 1 11 11 ALA CB C 11 17.965 17.965 17.902 0.063 19606 4194 1 18 . 1 1 11 11 ALA H H 11 8.242 8.242 7.711 0.531 19606 4195 1 18 . 1 1 12 12 ALA N N 12 121.630 121.630 120.920 0.710 19606 4196 1 18 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.031 0.143 19606 4197 1 18 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.405 0.557 19606 4198 1 18 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.317 -0.108 19606 4199 1 18 . 1 1 12 12 ALA H H 12 7.994 7.994 7.449 0.545 19606 4200 1 18 . 1 1 13 13 LEU N N 13 118.959 118.959 118.955 0.004 19606 4201 1 18 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.399 0.781 19606 4202 1 18 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.158 0.926 19606 4203 1 18 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.528 0.610 19606 4204 1 18 . 1 1 13 13 LEU H H 13 8.084 8.084 7.358 0.726 19606 4205 1 18 . 1 1 14 14 MET N N 14 118.344 118.344 117.110 1.234 19606 4206 1 18 . 1 1 14 14 MET HA H 14 4.251 4.251 3.562 0.689 19606 4207 1 18 . 1 1 14 14 MET CA C 14 57.168 57.168 58.680 -1.512 19606 4208 1 18 . 1 1 14 14 MET CB C 14 30.824 30.824 31.958 -1.134 19606 4209 1 18 . 1 1 14 14 MET H H 14 8.735 8.735 8.441 0.294 19606 4210 1 18 . 1 1 15 15 ALA N N 15 121.078 121.078 120.430 0.648 19606 4211 1 18 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.241 -0.109 19606 4212 1 18 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.860 0.424 19606 4213 1 18 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.914 -0.063 19606 4214 1 18 . 1 1 15 15 ALA H H 15 7.934 7.934 7.645 0.289 19606 4215 1 18 . 1 1 16 16 HIS N N 16 117.529 117.529 116.250 1.279 19606 4216 1 18 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.532 0.008 19606 4217 1 18 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.364 1.437 19606 4218 1 18 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.156 0.433 19606 4219 1 18 . 1 1 16 16 HIS H H 16 7.779 7.779 7.536 0.243 19606 4220 1 18 . 1 1 17 17 LEU N N 17 118.416 118.416 119.229 -0.813 19606 4221 1 18 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.214 -0.021 19606 4222 1 18 . 1 1 17 17 LEU CA C 17 58.663 58.663 58.062 0.601 19606 4223 1 18 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.701 -0.665 19606 4224 1 18 . 1 1 17 17 LEU H H 17 8.108 8.108 7.084 1.024 19606 4225 1 18 . 1 1 18 18 PHE N N 18 120.735 120.735 118.296 2.439 19606 4226 1 18 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.138 0.100 19606 4227 1 18 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.428 0.713 19606 4228 1 18 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.492 0.994 19606 4229 1 18 . 1 1 18 18 PHE H H 18 8.671 8.671 7.690 0.981 19606 4230 1 18 . 1 1 19 19 GLU N N 19 120.792 120.792 118.910 1.882 19606 4231 1 18 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.073 -0.025 19606 4232 1 18 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.908 0.087 19606 4233 1 18 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.243 0.158 19606 4234 1 18 . 1 1 19 19 GLU H H 19 8.274 8.274 7.871 0.403 19606 4235 1 18 . 1 1 20 20 MET N N 20 116.057 116.057 117.250 -1.193 19606 4236 1 18 . 1 1 20 20 MET HA H 20 4.171 4.171 4.253 -0.082 19606 4237 1 18 . 1 1 20 20 MET CA C 20 56.651 56.651 56.367 0.284 19606 4238 1 18 . 1 1 20 20 MET CB C 20 34.798 34.798 33.356 1.442 19606 4239 1 18 . 1 1 20 20 MET H H 20 7.428 7.428 7.893 -0.465 19606 4240 1 18 . 1 1 21 21 GLY N N 21 104.987 104.987 103.686 1.301 19606 4241 1 18 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.842 0.015 19606 4242 1 18 . 1 1 21 21 GLY H H 21 7.655 7.655 7.609 0.046 19606 4243 1 18 . 1 1 22 22 PHE N N 22 123.944 123.944 120.425 3.519 19606 4244 1 18 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.348 0.493 19606 4245 1 18 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.937 -4.309 19606 4246 1 18 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.599 -2.190 19606 4247 1 18 . 1 1 22 22 PHE H H 22 7.893 7.893 7.504 0.389 19606 4248 1 18 . 1 1 23 23 CYS N N 23 119.030 119.030 114.457 4.573 19606 4249 1 18 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.172 -0.289 19606 4250 1 18 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.337 -1.489 19606 4251 1 18 . 1 1 23 23 CYS CB C 23 28.368 28.368 25.682 2.686 19606 4252 1 18 . 1 1 23 23 CYS H H 23 7.872 7.872 8.705 -0.833 19606 4253 1 18 . 1 1 24 24 ASP N N 24 123.683 123.683 120.543 3.140 19606 4254 1 18 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.938 -0.206 19606 4255 1 18 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.718 -1.158 19606 4256 1 18 . 1 1 24 24 ASP CB C 24 40.308 40.308 40.421 -0.113 19606 4257 1 18 . 1 1 24 24 ASP H H 24 9.239 9.239 8.644 0.595 19606 4258 1 18 . 1 1 25 25 ARG N N 25 124.745 124.745 123.668 1.077 19606 4259 1 18 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.189 -0.189 19606 4260 1 18 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.238 1.451 19606 4261 1 18 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.526 1.723 19606 4262 1 18 . 1 1 25 25 ARG H H 25 8.311 8.311 8.416 -0.105 19606 4263 1 18 . 1 1 26 26 GLN N N 26 115.947 115.947 119.208 -3.261 19606 4264 1 18 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.158 -0.126 19606 4265 1 18 . 1 1 26 26 GLN CA C 26 59.164 59.164 57.999 1.165 19606 4266 1 18 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.993 0.248 19606 4267 1 18 . 1 1 26 26 GLN H H 26 8.305 8.305 8.330 -0.025 19606 4268 1 18 . 1 1 27 27 LEU N N 27 124.102 124.102 122.477 1.625 19606 4269 1 18 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.040 -0.020 19606 4270 1 18 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.677 0.007 19606 4271 1 18 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.584 0.051 19606 4272 1 18 . 1 1 27 27 LEU H H 27 7.650 7.650 7.433 0.217 19606 4273 1 18 . 1 1 28 28 ASN N N 28 117.933 117.933 117.306 0.627 19606 4274 1 18 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.282 -0.231 19606 4275 1 18 . 1 1 28 28 ASN CA C 28 55.899 55.899 56.080 -0.180 19606 4276 1 18 . 1 1 28 28 ASN CB C 28 38.283 38.283 38.025 0.258 19606 4277 1 18 . 1 1 28 28 ASN H H 28 8.593 8.593 8.124 0.469 19606 4278 1 18 . 1 1 29 29 LEU N N 29 119.088 119.088 121.593 -2.505 19606 4279 1 18 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.199 -0.170 19606 4280 1 18 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.855 0.372 19606 4281 1 18 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.541 0.635 19606 4282 1 18 . 1 1 29 29 LEU H H 29 8.255 8.255 7.650 0.605 19606 4283 1 18 . 1 1 30 30 ARG N N 30 119.126 119.126 119.588 -0.462 19606 4284 1 18 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.104 -0.129 19606 4285 1 18 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.529 1.345 19606 4286 1 18 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.397 0.742 19606 4287 1 18 . 1 1 30 30 ARG H H 30 7.658 7.658 7.710 -0.052 19606 4288 1 18 . 1 1 31 31 LEU N N 31 119.791 119.791 120.778 -0.987 19606 4289 1 18 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.118 -0.068 19606 4290 1 18 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.216 0.375 19606 4291 1 18 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.316 1.376 19606 4292 1 18 . 1 1 31 31 LEU H H 31 8.557 8.557 8.453 0.104 19606 4293 1 18 . 1 1 32 32 LEU N N 32 121.080 121.080 120.051 1.029 19606 4294 1 18 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.842 -0.369 19606 4295 1 18 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.474 0.095 19606 4296 1 18 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.512 -0.292 19606 4297 1 18 . 1 1 32 32 LEU H H 32 8.822 8.822 7.891 0.931 19606 4298 1 18 . 1 1 33 33 LYS N N 33 116.581 116.581 116.503 0.078 19606 4299 1 18 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.164 -0.541 19606 4300 1 18 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.584 1.085 19606 4301 1 18 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.787 0.512 19606 4302 1 18 . 1 1 33 33 LYS H H 33 7.510 7.510 7.694 -0.184 19606 4303 1 18 . 1 1 34 34 LYS N N 34 121.781 121.781 118.815 2.966 19606 4304 1 18 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.065 -0.267 19606 4305 1 18 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.205 1.104 19606 4306 1 18 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.578 0.944 19606 4307 1 18 . 1 1 34 34 LYS H H 34 7.915 7.915 7.589 0.326 19606 4308 1 18 . 1 1 35 35 HIS N N 35 113.017 113.017 114.023 -1.006 19606 4309 1 18 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.655 0.123 19606 4310 1 18 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.205 -0.668 19606 4311 1 18 . 1 1 35 35 HIS CB C 35 30.222 30.222 30.256 -0.034 19606 4312 1 18 . 1 1 35 35 HIS H H 35 7.662 7.662 7.992 -0.330 19606 4313 1 18 . 1 1 36 36 ASN N N 36 119.419 119.419 116.003 3.416 19606 4314 1 18 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.445 -0.190 19606 4315 1 18 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.132 0.932 19606 4316 1 18 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.079 1.124 19606 4317 1 18 . 1 1 36 36 ASN H H 36 7.781 7.781 7.927 -0.146 19606 4318 1 18 . 1 1 37 37 TYR N N 37 107.213 107.213 112.080 -4.867 19606 4319 1 18 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.090 0.119 19606 4320 1 18 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.443 1.365 19606 4321 1 18 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.263 -2.309 19606 4322 1 18 . 1 1 37 37 TYR H H 37 9.103 9.103 8.827 0.276 19606 4323 1 18 . 1 1 38 38 ASN N N 38 116.482 116.482 119.167 -2.685 19606 4324 1 18 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.992 -0.177 19606 4325 1 18 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.597 1.081 19606 4326 1 18 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.475 0.006 19606 4327 1 18 . 1 1 38 38 ASN H H 38 7.249 7.249 8.051 -0.802 19606 4328 1 18 . 1 1 39 39 ILE N N 39 126.777 126.777 125.244 1.533 19606 4329 1 18 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.714 0.061 19606 4330 1 18 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.114 -0.102 19606 4331 1 18 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.262 0.175 19606 4332 1 18 . 1 1 39 39 ILE H H 39 8.568 8.568 8.541 0.027 19606 4333 1 18 . 1 1 40 40 LEU N N 40 122.044 122.044 118.190 3.854 19606 4334 1 18 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.794 0.224 19606 4335 1 18 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.072 0.129 19606 4336 1 18 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.807 -0.108 19606 4337 1 18 . 1 1 40 40 LEU H H 40 7.993 7.993 8.014 -0.021 19606 4338 1 18 . 1 1 41 41 GLN N N 41 119.421 119.421 116.771 2.650 19606 4339 1 18 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.840 -0.084 19606 4340 1 18 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.194 0.124 19606 4341 1 18 . 1 1 41 41 GLN CB C 41 28.104 28.104 28.204 -0.100 19606 4342 1 18 . 1 1 41 41 GLN H H 41 7.555 7.555 7.563 -0.008 19606 4343 1 18 . 1 1 42 42 VAL N N 42 119.806 119.806 121.199 -1.393 19606 4344 1 18 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.730 -0.538 19606 4345 1 18 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.373 1.981 19606 4346 1 18 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.933 0.612 19606 4347 1 18 . 1 1 42 42 VAL H H 42 7.454 7.454 8.144 -0.690 19606 4348 1 18 . 1 1 43 43 VAL N N 43 118.511 118.511 119.595 -1.084 19606 4349 1 18 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.640 -0.500 19606 4350 1 18 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.438 0.530 19606 4351 1 18 . 1 1 43 43 VAL CB C 43 31.767 31.767 30.699 1.068 19606 4352 1 18 . 1 1 43 43 VAL H H 43 8.396 8.396 8.654 -0.258 19606 4353 1 18 . 1 1 44 44 THR N N 44 114.155 114.155 115.427 -1.272 19606 4354 1 18 . 1 1 44 44 THR HA H 44 3.673 3.673 3.986 -0.313 19606 4355 1 18 . 1 1 44 44 THR CA C 44 67.784 67.784 66.698 1.086 19606 4356 1 18 . 1 1 44 44 THR CB C 44 68.711 68.711 68.249 0.462 19606 4357 1 18 . 1 1 44 44 THR H H 44 7.767 7.767 7.675 0.092 19606 4358 1 18 . 1 1 45 45 GLU N N 45 121.134 121.134 122.248 -1.114 19606 4359 1 18 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.115 -0.073 19606 4360 1 18 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.625 0.610 19606 4361 1 18 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.360 -0.758 19606 4362 1 18 . 1 1 45 45 GLU H H 45 7.326 7.326 7.663 -0.337 19606 4363 1 18 . 1 1 46 46 LEU N N 46 120.965 120.965 120.413 0.552 19606 4364 1 18 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.810 -0.060 19606 4365 1 18 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.938 0.369 19606 4366 1 18 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.696 0.820 19606 4367 1 18 . 1 1 46 46 LEU H H 46 8.362 8.362 7.726 0.636 19606 4368 1 18 . 1 1 47 47 LEU N N 47 118.138 118.138 118.951 -0.813 19606 4369 1 18 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.112 0.072 19606 4370 1 18 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.198 -0.971 19606 4371 1 18 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.690 0.428 19606 4372 1 18 . 1 1 47 47 LEU H H 47 8.200 8.200 8.115 0.085 19606 4373 1 18 . 1 1 48 48 GLN N N 48 118.147 118.147 117.901 0.246 19606 4374 1 18 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.961 0.235 19606 4375 1 18 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.861 -1.340 19606 4376 1 18 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.686 -0.185 19606 4377 1 18 . 1 1 48 48 GLN H H 48 7.643 7.643 7.900 -0.257 19606 4378 1 18 . 1 1 49 49 LEU N N 49 119.709 119.709 119.168 0.541 19606 4379 1 18 . 1 1 49 49 LEU HA H 49 4.226 4.226 3.982 0.244 19606 4380 1 18 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.886 -1.550 19606 4381 1 18 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.907 0.425 19606 4382 1 18 . 1 1 49 49 LEU H H 49 7.966 7.966 8.612 -0.646 19606 4383 1 18 . 1 1 50 50 ASN N N 50 117.058 117.058 115.867 1.191 19606 4384 1 18 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.567 0.164 19606 4385 1 18 . 1 1 50 50 ASN CA C 50 53.671 53.671 55.558 -1.887 19606 4386 1 18 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.523 0.668 19606 4387 1 18 . 1 1 50 50 ASN H H 50 7.930 7.930 7.924 0.006 19606 4388 1 18 . 1 1 51 51 ASN N N 51 119.097 119.097 117.149 1.948 19606 4389 1 18 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.637 0.169 19606 4390 1 18 . 1 1 51 51 ASN CA C 51 53.435 53.435 53.477 -0.042 19606 4391 1 18 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.886 0.289 19606 4392 1 18 . 1 1 51 51 ASN H H 51 8.114 8.114 7.939 0.175 19606 4393 1 19 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.594 0.135 19606 4394 1 19 . 1 1 2 2 PRO CA C 2 63.151 63.151 62.905 0.246 19606 4395 1 19 . 1 1 2 2 PRO CB C 2 32.357 32.357 30.886 1.471 19606 4396 1 19 . 1 1 3 3 LEU N N 3 122.408 122.408 120.042 2.366 19606 4397 1 19 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.142 0.214 19606 4398 1 19 . 1 1 3 3 LEU CA C 3 55.432 55.432 56.011 -0.579 19606 4399 1 19 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.048 0.266 19606 4400 1 19 . 1 1 3 3 LEU H H 3 8.542 8.542 8.042 0.500 19606 4401 1 19 . 1 1 4 4 GLY N N 4 109.946 109.946 107.538 2.408 19606 4402 1 19 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.482 0.812 19606 4403 1 19 . 1 1 4 4 GLY H H 4 8.406 8.406 8.258 0.148 19606 4404 1 19 . 1 1 5 5 SER N N 5 115.532 115.532 117.746 -2.214 19606 4405 1 19 . 1 1 5 5 SER HA H 5 4.501 4.501 4.684 -0.183 19606 4406 1 19 . 1 1 5 5 SER CA C 5 58.036 58.036 57.638 0.398 19606 4407 1 19 . 1 1 5 5 SER CB C 5 64.169 64.169 65.784 -1.615 19606 4408 1 19 . 1 1 5 5 SER H H 5 8.216 8.216 8.445 -0.229 19606 4409 1 19 . 1 1 6 6 SER N N 6 117.955 117.955 119.204 -1.249 19606 4410 1 19 . 1 1 6 6 SER HA H 6 4.420 4.420 4.815 -0.395 19606 4411 1 19 . 1 1 6 6 SER CA C 6 58.902 58.902 57.312 1.590 19606 4412 1 19 . 1 1 6 6 SER CB C 6 63.798 63.798 65.019 -1.222 19606 4413 1 19 . 1 1 6 6 SER H H 6 8.460 8.460 8.881 -0.421 19606 4414 1 19 . 1 1 7 7 GLU N N 7 122.747 122.747 126.084 -3.337 19606 4415 1 19 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.196 -0.171 19606 4416 1 19 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.362 -0.294 19606 4417 1 19 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.876 -0.123 19606 4418 1 19 . 1 1 7 7 GLU H H 7 8.550 8.550 8.991 -0.441 19606 4419 1 19 . 1 1 8 8 ASP N N 8 120.868 120.868 119.471 1.397 19606 4420 1 19 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.323 0.172 19606 4421 1 19 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.923 -1.333 19606 4422 1 19 . 1 1 8 8 ASP CB C 8 40.662 40.662 41.004 -0.342 19606 4423 1 19 . 1 1 8 8 ASP H H 8 8.293 8.293 8.017 0.276 19606 4424 1 19 . 1 1 9 9 GLN N N 9 121.706 121.706 119.012 2.694 19606 4425 1 19 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.013 0.322 19606 4426 1 19 . 1 1 9 9 GLN CA C 9 57.493 57.493 59.127 -1.634 19606 4427 1 19 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.532 0.207 19606 4428 1 19 . 1 1 9 9 GLN H H 9 8.290 8.290 7.911 0.379 19606 4429 1 19 . 1 1 10 10 THR N N 10 115.700 115.700 116.915 -1.215 19606 4430 1 19 . 1 1 10 10 THR HA H 10 3.802 3.802 3.762 0.040 19606 4431 1 19 . 1 1 10 10 THR CA C 10 67.728 67.728 66.043 1.685 19606 4432 1 19 . 1 1 10 10 THR CB C 10 68.615 68.615 68.308 0.307 19606 4433 1 19 . 1 1 10 10 THR H H 10 8.193 8.193 7.649 0.544 19606 4434 1 19 . 1 1 11 11 ALA N N 11 123.074 123.074 122.180 0.894 19606 4435 1 19 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.026 0.003 19606 4436 1 19 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.881 0.804 19606 4437 1 19 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.143 -0.178 19606 4438 1 19 . 1 1 11 11 ALA H H 11 8.242 8.242 7.504 0.738 19606 4439 1 19 . 1 1 12 12 ALA N N 12 121.630 121.630 120.875 0.755 19606 4440 1 19 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.060 0.114 19606 4441 1 19 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.343 0.619 19606 4442 1 19 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.358 -0.149 19606 4443 1 19 . 1 1 12 12 ALA H H 12 7.994 7.994 7.381 0.613 19606 4444 1 19 . 1 1 13 13 LEU N N 13 118.959 118.959 118.910 0.049 19606 4445 1 19 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.365 0.815 19606 4446 1 19 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.105 0.980 19606 4447 1 19 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.424 0.714 19606 4448 1 19 . 1 1 13 13 LEU H H 13 8.084 8.084 7.310 0.774 19606 4449 1 19 . 1 1 14 14 MET N N 14 118.344 118.344 116.528 1.816 19606 4450 1 19 . 1 1 14 14 MET HA H 14 4.251 4.251 3.591 0.660 19606 4451 1 19 . 1 1 14 14 MET CA C 14 57.168 57.168 57.979 -0.811 19606 4452 1 19 . 1 1 14 14 MET CB C 14 30.824 30.824 31.331 -0.507 19606 4453 1 19 . 1 1 14 14 MET H H 14 8.735 8.735 8.364 0.371 19606 4454 1 19 . 1 1 15 15 ALA N N 15 121.078 121.078 120.722 0.356 19606 4455 1 19 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.255 -0.123 19606 4456 1 19 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.958 0.326 19606 4457 1 19 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.970 -0.119 19606 4458 1 19 . 1 1 15 15 ALA H H 15 7.934 7.934 7.637 0.297 19606 4459 1 19 . 1 1 16 16 HIS N N 16 117.529 117.529 116.365 1.164 19606 4460 1 19 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.360 0.180 19606 4461 1 19 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.738 1.063 19606 4462 1 19 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.206 0.383 19606 4463 1 19 . 1 1 16 16 HIS H H 16 7.779 7.779 7.550 0.229 19606 4464 1 19 . 1 1 17 17 LEU N N 17 118.416 118.416 118.807 -0.391 19606 4465 1 19 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.336 -0.143 19606 4466 1 19 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.949 0.714 19606 4467 1 19 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.912 -0.876 19606 4468 1 19 . 1 1 17 17 LEU H H 17 8.108 8.108 7.188 0.920 19606 4469 1 19 . 1 1 18 18 PHE N N 18 120.735 120.735 118.289 2.446 19606 4470 1 19 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.210 0.028 19606 4471 1 19 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.578 0.563 19606 4472 1 19 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.542 0.944 19606 4473 1 19 . 1 1 18 18 PHE H H 18 8.671 8.671 7.731 0.940 19606 4474 1 19 . 1 1 19 19 GLU N N 19 120.792 120.792 118.213 2.579 19606 4475 1 19 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.140 -0.092 19606 4476 1 19 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.736 0.258 19606 4477 1 19 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.497 -0.096 19606 4478 1 19 . 1 1 19 19 GLU H H 19 8.274 8.274 7.824 0.450 19606 4479 1 19 . 1 1 20 20 MET N N 20 116.057 116.057 115.909 0.148 19606 4480 1 19 . 1 1 20 20 MET HA H 20 4.171 4.171 4.390 -0.219 19606 4481 1 19 . 1 1 20 20 MET CA C 20 56.651 56.651 55.558 1.093 19606 4482 1 19 . 1 1 20 20 MET CB C 20 34.798 34.798 33.302 1.496 19606 4483 1 19 . 1 1 20 20 MET H H 20 7.428 7.428 8.097 -0.669 19606 4484 1 19 . 1 1 21 21 GLY N N 21 104.987 104.987 104.086 0.901 19606 4485 1 19 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.885 -0.028 19606 4486 1 19 . 1 1 21 21 GLY H H 21 7.655 7.655 7.726 -0.071 19606 4487 1 19 . 1 1 22 22 PHE N N 22 123.944 123.944 119.697 4.247 19606 4488 1 19 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.286 0.555 19606 4489 1 19 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.796 -4.169 19606 4490 1 19 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.445 -2.036 19606 4491 1 19 . 1 1 22 22 PHE H H 22 7.893 7.893 7.288 0.605 19606 4492 1 19 . 1 1 23 23 CYS N N 23 119.030 119.030 118.708 0.322 19606 4493 1 19 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.374 -0.491 19606 4494 1 19 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.942 -2.094 19606 4495 1 19 . 1 1 23 23 CYS CB C 23 28.368 28.368 27.203 1.165 19606 4496 1 19 . 1 1 23 23 CYS H H 23 7.872 7.872 8.704 -0.832 19606 4497 1 19 . 1 1 24 24 ASP N N 24 123.683 123.683 119.888 3.795 19606 4498 1 19 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.998 -0.266 19606 4499 1 19 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.832 -1.272 19606 4500 1 19 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.844 -1.536 19606 4501 1 19 . 1 1 24 24 ASP H H 24 9.239 9.239 8.454 0.785 19606 4502 1 19 . 1 1 25 25 ARG N N 25 124.745 124.745 123.082 1.663 19606 4503 1 19 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.168 -0.168 19606 4504 1 19 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.491 1.198 19606 4505 1 19 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.704 1.545 19606 4506 1 19 . 1 1 25 25 ARG H H 25 8.311 8.311 8.760 -0.449 19606 4507 1 19 . 1 1 26 26 GLN N N 26 115.947 115.947 118.634 -2.687 19606 4508 1 19 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.198 -0.166 19606 4509 1 19 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.045 1.119 19606 4510 1 19 . 1 1 26 26 GLN CB C 26 28.241 28.241 27.934 0.307 19606 4511 1 19 . 1 1 26 26 GLN H H 26 8.305 8.305 8.256 0.049 19606 4512 1 19 . 1 1 27 27 LEU N N 27 124.102 124.102 122.563 1.539 19606 4513 1 19 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.044 -0.024 19606 4514 1 19 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.629 0.055 19606 4515 1 19 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.607 0.028 19606 4516 1 19 . 1 1 27 27 LEU H H 27 7.650 7.650 7.646 0.004 19606 4517 1 19 . 1 1 28 28 ASN N N 28 117.933 117.933 117.272 0.661 19606 4518 1 19 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.247 -0.196 19606 4519 1 19 . 1 1 28 28 ASN CA C 28 55.899 55.899 56.037 -0.138 19606 4520 1 19 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.987 0.296 19606 4521 1 19 . 1 1 28 28 ASN H H 28 8.593 8.593 8.241 0.352 19606 4522 1 19 . 1 1 29 29 LEU N N 29 119.088 119.088 121.188 -2.100 19606 4523 1 19 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.187 -0.158 19606 4524 1 19 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.703 0.525 19606 4525 1 19 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.473 0.703 19606 4526 1 19 . 1 1 29 29 LEU H H 29 8.255 8.255 7.665 0.590 19606 4527 1 19 . 1 1 30 30 ARG N N 30 119.126 119.126 119.594 -0.468 19606 4528 1 19 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.096 -0.121 19606 4529 1 19 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.662 1.212 19606 4530 1 19 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.434 0.705 19606 4531 1 19 . 1 1 30 30 ARG H H 30 7.658 7.658 7.734 -0.076 19606 4532 1 19 . 1 1 31 31 LEU N N 31 119.791 119.791 120.587 -0.796 19606 4533 1 19 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.099 -0.049 19606 4534 1 19 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.312 0.279 19606 4535 1 19 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.155 1.537 19606 4536 1 19 . 1 1 31 31 LEU H H 31 8.557 8.557 8.472 0.085 19606 4537 1 19 . 1 1 32 32 LEU N N 32 121.080 121.080 120.230 0.850 19606 4538 1 19 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.802 -0.329 19606 4539 1 19 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.589 -0.020 19606 4540 1 19 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.471 -0.251 19606 4541 1 19 . 1 1 32 32 LEU H H 32 8.822 8.822 7.803 1.019 19606 4542 1 19 . 1 1 33 33 LYS N N 33 116.581 116.581 117.100 -0.519 19606 4543 1 19 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.132 -0.509 19606 4544 1 19 . 1 1 33 33 LYS CA C 33 59.669 59.669 59.027 0.642 19606 4545 1 19 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.913 0.386 19606 4546 1 19 . 1 1 33 33 LYS H H 33 7.510 7.510 7.666 -0.156 19606 4547 1 19 . 1 1 34 34 LYS N N 34 121.781 121.781 118.892 2.889 19606 4548 1 19 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.073 -0.275 19606 4549 1 19 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.250 1.059 19606 4550 1 19 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.329 1.192 19606 4551 1 19 . 1 1 34 34 LYS H H 34 7.915 7.915 7.288 0.627 19606 4552 1 19 . 1 1 35 35 HIS N N 35 113.017 113.017 114.633 -1.616 19606 4553 1 19 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.609 0.169 19606 4554 1 19 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.301 -0.764 19606 4555 1 19 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.562 0.660 19606 4556 1 19 . 1 1 35 35 HIS H H 35 7.662 7.662 8.113 -0.451 19606 4557 1 19 . 1 1 36 36 ASN N N 36 119.419 119.419 115.136 4.283 19606 4558 1 19 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.475 -0.220 19606 4559 1 19 . 1 1 36 36 ASN CA C 36 55.064 55.064 53.802 1.262 19606 4560 1 19 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.132 1.071 19606 4561 1 19 . 1 1 36 36 ASN H H 36 7.781 7.781 8.131 -0.350 19606 4562 1 19 . 1 1 37 37 TYR N N 37 107.213 107.213 111.534 -4.321 19606 4563 1 19 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.047 0.162 19606 4564 1 19 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.852 0.956 19606 4565 1 19 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.218 -2.264 19606 4566 1 19 . 1 1 37 37 TYR H H 37 9.103 9.103 8.665 0.438 19606 4567 1 19 . 1 1 38 38 ASN N N 38 116.482 116.482 119.503 -3.021 19606 4568 1 19 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.954 -0.139 19606 4569 1 19 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.453 1.225 19606 4570 1 19 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.903 -0.422 19606 4571 1 19 . 1 1 38 38 ASN H H 38 7.249 7.249 8.045 -0.796 19606 4572 1 19 . 1 1 39 39 ILE N N 39 126.777 126.777 125.419 1.358 19606 4573 1 19 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.697 0.078 19606 4574 1 19 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.160 -0.148 19606 4575 1 19 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.280 0.157 19606 4576 1 19 . 1 1 39 39 ILE H H 39 8.568 8.568 8.627 -0.059 19606 4577 1 19 . 1 1 40 40 LEU N N 40 122.044 122.044 119.221 2.823 19606 4578 1 19 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.783 0.235 19606 4579 1 19 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.089 0.111 19606 4580 1 19 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.919 -0.220 19606 4581 1 19 . 1 1 40 40 LEU H H 40 7.993 7.993 8.021 -0.028 19606 4582 1 19 . 1 1 41 41 GLN N N 41 119.421 119.421 116.233 3.188 19606 4583 1 19 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.868 -0.112 19606 4584 1 19 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.822 0.496 19606 4585 1 19 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.645 0.459 19606 4586 1 19 . 1 1 41 41 GLN H H 41 7.555 7.555 7.447 0.108 19606 4587 1 19 . 1 1 42 42 VAL N N 42 119.806 119.806 121.582 -1.776 19606 4588 1 19 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.692 -0.500 19606 4589 1 19 . 1 1 42 42 VAL CA C 42 67.354 67.354 67.105 0.249 19606 4590 1 19 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.711 -0.166 19606 4591 1 19 . 1 1 42 42 VAL H H 42 7.454 7.454 8.099 -0.645 19606 4592 1 19 . 1 1 43 43 VAL N N 43 118.511 118.511 119.289 -0.778 19606 4593 1 19 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.340 -0.200 19606 4594 1 19 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.188 -0.220 19606 4595 1 19 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.484 0.283 19606 4596 1 19 . 1 1 43 43 VAL H H 43 8.396 8.396 8.412 -0.016 19606 4597 1 19 . 1 1 44 44 THR N N 44 114.155 114.155 115.569 -1.414 19606 4598 1 19 . 1 1 44 44 THR HA H 44 3.673 3.673 3.917 -0.244 19606 4599 1 19 . 1 1 44 44 THR CA C 44 67.784 67.784 66.746 1.038 19606 4600 1 19 . 1 1 44 44 THR CB C 44 68.711 68.711 68.092 0.619 19606 4601 1 19 . 1 1 44 44 THR H H 44 7.767 7.767 7.538 0.229 19606 4602 1 19 . 1 1 45 45 GLU N N 45 121.134 121.134 122.248 -1.114 19606 4603 1 19 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.174 -0.132 19606 4604 1 19 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.520 0.715 19606 4605 1 19 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.360 -0.758 19606 4606 1 19 . 1 1 45 45 GLU H H 45 7.326 7.326 7.739 -0.413 19606 4607 1 19 . 1 1 46 46 LEU N N 46 120.965 120.965 119.932 1.033 19606 4608 1 19 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.892 -0.142 19606 4609 1 19 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.630 0.677 19606 4610 1 19 . 1 1 46 46 LEU CB C 46 41.516 41.516 41.005 0.511 19606 4611 1 19 . 1 1 46 46 LEU H H 46 8.362 8.362 7.786 0.576 19606 4612 1 19 . 1 1 47 47 LEU N N 47 118.138 118.138 119.810 -1.672 19606 4613 1 19 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.219 -0.035 19606 4614 1 19 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.134 -0.907 19606 4615 1 19 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.822 0.295 19606 4616 1 19 . 1 1 47 47 LEU H H 47 8.200 8.200 8.197 0.003 19606 4617 1 19 . 1 1 48 48 GLN N N 48 118.147 118.147 117.653 0.494 19606 4618 1 19 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.982 0.214 19606 4619 1 19 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.951 -1.430 19606 4620 1 19 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.808 -0.307 19606 4621 1 19 . 1 1 48 48 GLN H H 48 7.643 7.643 8.167 -0.524 19606 4622 1 19 . 1 1 49 49 LEU N N 49 119.709 119.709 118.520 1.189 19606 4623 1 19 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.156 0.070 19606 4624 1 19 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.205 -0.869 19606 4625 1 19 . 1 1 49 49 LEU CB C 49 42.333 42.333 42.020 0.313 19606 4626 1 19 . 1 1 49 49 LEU H H 49 7.966 7.966 8.335 -0.369 19606 4627 1 19 . 1 1 50 50 ASN N N 50 117.058 117.058 116.756 0.302 19606 4628 1 19 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.542 0.189 19606 4629 1 19 . 1 1 50 50 ASN CA C 50 53.671 53.671 54.234 -0.563 19606 4630 1 19 . 1 1 50 50 ASN CB C 50 39.191 39.191 39.053 0.138 19606 4631 1 19 . 1 1 50 50 ASN H H 50 7.930 7.930 7.905 0.025 19606 4632 1 19 . 1 1 51 51 ASN N N 51 119.097 119.097 116.512 2.585 19606 4633 1 19 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.445 0.361 19606 4634 1 19 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.214 -0.779 19606 4635 1 19 . 1 1 51 51 ASN CB C 51 39.175 39.175 37.757 1.418 19606 4636 1 19 . 1 1 51 51 ASN H H 51 8.114 8.114 8.005 0.109 19606 4637 1 20 . 1 1 2 2 PRO HA H 2 4.729 4.729 4.318 0.411 19606 4638 1 20 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.585 -0.434 19606 4639 1 20 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.033 0.324 19606 4640 1 20 . 1 1 3 3 LEU N N 3 122.408 122.408 118.614 3.794 19606 4641 1 20 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.158 0.198 19606 4642 1 20 . 1 1 3 3 LEU CA C 3 55.432 55.432 54.888 0.544 19606 4643 1 20 . 1 1 3 3 LEU CB C 3 42.314 42.314 41.399 0.915 19606 4644 1 20 . 1 1 3 3 LEU H H 3 8.542 8.542 7.834 0.708 19606 4645 1 20 . 1 1 4 4 GLY N N 4 109.946 109.946 106.073 3.873 19606 4646 1 20 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.657 0.637 19606 4647 1 20 . 1 1 4 4 GLY H H 4 8.406 8.406 8.177 0.229 19606 4648 1 20 . 1 1 5 5 SER N N 5 115.532 115.532 117.741 -2.209 19606 4649 1 20 . 1 1 5 5 SER HA H 5 4.501 4.501 4.539 -0.038 19606 4650 1 20 . 1 1 5 5 SER CA C 5 58.036 58.036 56.866 1.170 19606 4651 1 20 . 1 1 5 5 SER CB C 5 64.169 64.169 64.918 -0.749 19606 4652 1 20 . 1 1 5 5 SER H H 5 8.216 8.216 7.925 0.291 19606 4653 1 20 . 1 1 6 6 SER N N 6 117.955 117.955 116.065 1.890 19606 4654 1 20 . 1 1 6 6 SER HA H 6 4.420 4.420 4.541 -0.121 19606 4655 1 20 . 1 1 6 6 SER CA C 6 58.902 58.902 58.223 0.679 19606 4656 1 20 . 1 1 6 6 SER CB C 6 63.798 63.798 63.134 0.664 19606 4657 1 20 . 1 1 6 6 SER H H 6 8.460 8.460 8.533 -0.073 19606 4658 1 20 . 1 1 7 7 GLU N N 7 122.747 122.747 126.003 -3.256 19606 4659 1 20 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.226 -0.201 19606 4660 1 20 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.217 -0.149 19606 4661 1 20 . 1 1 7 7 GLU CB C 7 29.753 29.753 30.185 -0.432 19606 4662 1 20 . 1 1 7 7 GLU H H 7 8.550 8.550 8.125 0.425 19606 4663 1 20 . 1 1 8 8 ASP N N 8 120.868 120.868 117.826 3.042 19606 4664 1 20 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.282 0.213 19606 4665 1 20 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.709 -1.119 19606 4666 1 20 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.286 0.376 19606 4667 1 20 . 1 1 8 8 ASP H H 8 8.293 8.293 8.692 -0.399 19606 4668 1 20 . 1 1 9 9 GLN N N 9 121.706 121.706 118.980 2.726 19606 4669 1 20 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.063 0.272 19606 4670 1 20 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.582 -1.089 19606 4671 1 20 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.207 0.532 19606 4672 1 20 . 1 1 9 9 GLN H H 9 8.290 8.290 7.844 0.446 19606 4673 1 20 . 1 1 10 10 THR N N 10 115.700 115.700 115.669 0.031 19606 4674 1 20 . 1 1 10 10 THR HA H 10 3.802 3.802 3.785 0.017 19606 4675 1 20 . 1 1 10 10 THR CA C 10 67.728 67.728 66.284 1.444 19606 4676 1 20 . 1 1 10 10 THR CB C 10 68.615 68.615 68.376 0.239 19606 4677 1 20 . 1 1 10 10 THR H H 10 8.193 8.193 7.788 0.405 19606 4678 1 20 . 1 1 11 11 ALA N N 11 123.074 123.074 122.603 0.471 19606 4679 1 20 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.100 -0.071 19606 4680 1 20 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.717 0.968 19606 4681 1 20 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.000 -0.035 19606 4682 1 20 . 1 1 11 11 ALA H H 11 8.242 8.242 7.548 0.694 19606 4683 1 20 . 1 1 12 12 ALA N N 12 121.630 121.630 121.189 0.441 19606 4684 1 20 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.027 0.147 19606 4685 1 20 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.431 0.531 19606 4686 1 20 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.288 -0.079 19606 4687 1 20 . 1 1 12 12 ALA H H 12 7.994 7.994 7.446 0.548 19606 4688 1 20 . 1 1 13 13 LEU N N 13 118.959 118.959 118.651 0.308 19606 4689 1 20 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.510 0.670 19606 4690 1 20 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.214 0.870 19606 4691 1 20 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.438 0.700 19606 4692 1 20 . 1 1 13 13 LEU H H 13 8.084 8.084 7.505 0.579 19606 4693 1 20 . 1 1 14 14 MET N N 14 118.344 118.344 115.755 2.589 19606 4694 1 20 . 1 1 14 14 MET HA H 14 4.251 4.251 3.658 0.593 19606 4695 1 20 . 1 1 14 14 MET CA C 14 57.168 57.168 58.553 -1.385 19606 4696 1 20 . 1 1 14 14 MET CB C 14 30.824 30.824 32.091 -1.267 19606 4697 1 20 . 1 1 14 14 MET H H 14 8.735 8.735 8.130 0.605 19606 4698 1 20 . 1 1 15 15 ALA N N 15 121.078 121.078 120.318 0.760 19606 4699 1 20 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.219 -0.087 19606 4700 1 20 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.575 0.709 19606 4701 1 20 . 1 1 15 15 ALA CB C 15 17.851 17.851 18.056 -0.205 19606 4702 1 20 . 1 1 15 15 ALA H H 15 7.934 7.934 7.570 0.364 19606 4703 1 20 . 1 1 16 16 HIS N N 16 117.529 117.529 116.489 1.040 19606 4704 1 20 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.353 0.187 19606 4705 1 20 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.923 0.878 19606 4706 1 20 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.209 0.380 19606 4707 1 20 . 1 1 16 16 HIS H H 16 7.779 7.779 7.414 0.365 19606 4708 1 20 . 1 1 17 17 LEU N N 17 118.416 118.416 118.901 -0.485 19606 4709 1 20 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.316 -0.123 19606 4710 1 20 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.938 0.725 19606 4711 1 20 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.922 -0.886 19606 4712 1 20 . 1 1 17 17 LEU H H 17 8.108 8.108 7.194 0.914 19606 4713 1 20 . 1 1 18 18 PHE N N 18 120.735 120.735 118.289 2.446 19606 4714 1 20 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.220 0.018 19606 4715 1 20 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.617 0.524 19606 4716 1 20 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.619 0.867 19606 4717 1 20 . 1 1 18 18 PHE H H 18 8.671 8.671 7.526 1.145 19606 4718 1 20 . 1 1 19 19 GLU N N 19 120.792 120.792 118.270 2.522 19606 4719 1 20 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.145 -0.097 19606 4720 1 20 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.703 0.292 19606 4721 1 20 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.438 -0.037 19606 4722 1 20 . 1 1 19 19 GLU H H 19 8.274 8.274 7.890 0.384 19606 4723 1 20 . 1 1 20 20 MET N N 20 116.057 116.057 116.191 -0.134 19606 4724 1 20 . 1 1 20 20 MET HA H 20 4.171 4.171 4.365 -0.194 19606 4725 1 20 . 1 1 20 20 MET CA C 20 56.651 56.651 55.393 1.258 19606 4726 1 20 . 1 1 20 20 MET CB C 20 34.798 34.798 33.266 1.532 19606 4727 1 20 . 1 1 20 20 MET H H 20 7.428 7.428 7.860 -0.432 19606 4728 1 20 . 1 1 21 21 GLY N N 21 104.987 104.987 104.511 0.476 19606 4729 1 20 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.877 -0.020 19606 4730 1 20 . 1 1 21 21 GLY H H 21 7.655 7.655 7.735 -0.080 19606 4731 1 20 . 1 1 22 22 PHE N N 22 123.944 123.944 120.278 3.666 19606 4732 1 20 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.430 0.411 19606 4733 1 20 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.282 -3.655 19606 4734 1 20 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.964 -2.555 19606 4735 1 20 . 1 1 22 22 PHE H H 22 7.893 7.893 7.425 0.468 19606 4736 1 20 . 1 1 23 23 CYS N N 23 119.030 119.030 117.720 1.310 19606 4737 1 20 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.301 -0.418 19606 4738 1 20 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.729 -1.881 19606 4739 1 20 . 1 1 23 23 CYS CB C 23 28.368 28.368 25.913 2.455 19606 4740 1 20 . 1 1 23 23 CYS H H 23 7.872 7.872 8.683 -0.811 19606 4741 1 20 . 1 1 24 24 ASP N N 24 123.683 123.683 119.465 4.218 19606 4742 1 20 . 1 1 24 24 ASP HA H 24 4.732 4.732 5.009 -0.277 19606 4743 1 20 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.928 -1.368 19606 4744 1 20 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.682 -1.374 19606 4745 1 20 . 1 1 24 24 ASP H H 24 9.239 9.239 8.617 0.622 19606 4746 1 20 . 1 1 25 25 ARG N N 25 124.745 124.745 123.864 0.881 19606 4747 1 20 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.144 -0.144 19606 4748 1 20 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.327 1.362 19606 4749 1 20 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.832 1.417 19606 4750 1 20 . 1 1 25 25 ARG H H 25 8.311 8.311 8.634 -0.323 19606 4751 1 20 . 1 1 26 26 GLN N N 26 115.947 115.947 118.290 -2.343 19606 4752 1 20 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.168 -0.136 19606 4753 1 20 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.344 0.820 19606 4754 1 20 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.011 0.230 19606 4755 1 20 . 1 1 26 26 GLN H H 26 8.305 8.305 8.644 -0.339 19606 4756 1 20 . 1 1 27 27 LEU N N 27 124.102 124.102 122.474 1.628 19606 4757 1 20 . 1 1 27 27 LEU HA H 27 4.020 4.020 4.053 -0.033 19606 4758 1 20 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.646 0.038 19606 4759 1 20 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.592 0.043 19606 4760 1 20 . 1 1 27 27 LEU H H 27 7.650 7.650 7.438 0.212 19606 4761 1 20 . 1 1 28 28 ASN N N 28 117.933 117.933 117.823 0.110 19606 4762 1 20 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.270 -0.219 19606 4763 1 20 . 1 1 28 28 ASN CA C 28 55.899 55.899 56.014 -0.115 19606 4764 1 20 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.879 0.404 19606 4765 1 20 . 1 1 28 28 ASN H H 28 8.593 8.593 8.247 0.346 19606 4766 1 20 . 1 1 29 29 LEU N N 29 119.088 119.088 121.866 -2.778 19606 4767 1 20 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.210 -0.181 19606 4768 1 20 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.566 0.661 19606 4769 1 20 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.580 0.596 19606 4770 1 20 . 1 1 29 29 LEU H H 29 8.255 8.255 7.621 0.634 19606 4771 1 20 . 1 1 30 30 ARG N N 30 119.126 119.126 119.748 -0.622 19606 4772 1 20 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.111 -0.136 19606 4773 1 20 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.486 1.388 19606 4774 1 20 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.374 0.765 19606 4775 1 20 . 1 1 30 30 ARG H H 30 7.658 7.658 7.673 -0.015 19606 4776 1 20 . 1 1 31 31 LEU N N 31 119.791 119.791 120.675 -0.884 19606 4777 1 20 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.167 -0.117 19606 4778 1 20 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.072 0.519 19606 4779 1 20 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.352 1.340 19606 4780 1 20 . 1 1 31 31 LEU H H 31 8.557 8.557 8.492 0.065 19606 4781 1 20 . 1 1 32 32 LEU N N 32 121.080 121.080 120.084 0.996 19606 4782 1 20 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.821 -0.348 19606 4783 1 20 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.507 0.062 19606 4784 1 20 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.530 -0.310 19606 4785 1 20 . 1 1 32 32 LEU H H 32 8.822 8.822 7.941 0.881 19606 4786 1 20 . 1 1 33 33 LYS N N 33 116.581 116.581 116.289 0.292 19606 4787 1 20 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.156 -0.533 19606 4788 1 20 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.777 0.892 19606 4789 1 20 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.889 0.410 19606 4790 1 20 . 1 1 33 33 LYS H H 33 7.510 7.510 7.750 -0.240 19606 4791 1 20 . 1 1 34 34 LYS N N 34 121.781 121.781 118.381 3.400 19606 4792 1 20 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.074 -0.276 19606 4793 1 20 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.295 1.014 19606 4794 1 20 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.551 0.970 19606 4795 1 20 . 1 1 34 34 LYS H H 34 7.915 7.915 7.651 0.264 19606 4796 1 20 . 1 1 35 35 HIS N N 35 113.017 113.017 114.140 -1.123 19606 4797 1 20 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.622 0.156 19606 4798 1 20 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.226 -0.689 19606 4799 1 20 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.968 0.254 19606 4800 1 20 . 1 1 35 35 HIS H H 35 7.662 7.662 8.101 -0.439 19606 4801 1 20 . 1 1 36 36 ASN N N 36 119.419 119.419 116.252 3.167 19606 4802 1 20 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.437 -0.182 19606 4803 1 20 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.222 0.842 19606 4804 1 20 . 1 1 36 36 ASN CB C 36 37.203 37.203 35.748 1.455 19606 4805 1 20 . 1 1 36 36 ASN H H 36 7.781 7.781 7.969 -0.188 19606 4806 1 20 . 1 1 37 37 TYR N N 37 107.213 107.213 112.740 -5.527 19606 4807 1 20 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.053 0.156 19606 4808 1 20 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.403 1.405 19606 4809 1 20 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.168 -2.214 19606 4810 1 20 . 1 1 37 37 TYR H H 37 9.103 9.103 8.894 0.209 19606 4811 1 20 . 1 1 38 38 ASN N N 38 116.482 116.482 119.283 -2.801 19606 4812 1 20 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.982 -0.167 19606 4813 1 20 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.599 1.079 19606 4814 1 20 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.502 -0.021 19606 4815 1 20 . 1 1 38 38 ASN H H 38 7.249 7.249 8.002 -0.753 19606 4816 1 20 . 1 1 39 39 ILE N N 39 126.777 126.777 125.326 1.451 19606 4817 1 20 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.704 0.071 19606 4818 1 20 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.121 -0.109 19606 4819 1 20 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.239 0.198 19606 4820 1 20 . 1 1 39 39 ILE H H 39 8.568 8.568 8.493 0.075 19606 4821 1 20 . 1 1 40 40 LEU N N 40 122.044 122.044 118.292 3.752 19606 4822 1 20 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.782 0.236 19606 4823 1 20 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.056 0.144 19606 4824 1 20 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.794 -0.095 19606 4825 1 20 . 1 1 40 40 LEU H H 40 7.993 7.993 7.977 0.016 19606 4826 1 20 . 1 1 41 41 GLN N N 41 119.421 119.421 117.234 2.187 19606 4827 1 20 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.850 -0.094 19606 4828 1 20 . 1 1 41 41 GLN CA C 41 58.318 58.318 58.176 0.142 19606 4829 1 20 . 1 1 41 41 GLN CB C 41 28.104 28.104 28.175 -0.071 19606 4830 1 20 . 1 1 41 41 GLN H H 41 7.555 7.555 7.548 0.007 19606 4831 1 20 . 1 1 42 42 VAL N N 42 119.806 119.806 121.024 -1.218 19606 4832 1 20 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.686 -0.494 19606 4833 1 20 . 1 1 42 42 VAL CA C 42 67.354 67.354 65.421 1.933 19606 4834 1 20 . 1 1 42 42 VAL CB C 42 31.545 31.545 30.986 0.559 19606 4835 1 20 . 1 1 42 42 VAL H H 42 7.454 7.454 8.161 -0.707 19606 4836 1 20 . 1 1 43 43 VAL N N 43 118.511 118.511 119.773 -1.262 19606 4837 1 20 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.329 -0.189 19606 4838 1 20 . 1 1 43 43 VAL CA C 43 66.968 66.968 67.231 -0.263 19606 4839 1 20 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.437 0.330 19606 4840 1 20 . 1 1 43 43 VAL H H 43 8.396 8.396 8.587 -0.191 19606 4841 1 20 . 1 1 44 44 THR N N 44 114.155 114.155 115.338 -1.183 19606 4842 1 20 . 1 1 44 44 THR HA H 44 3.673 3.673 3.960 -0.287 19606 4843 1 20 . 1 1 44 44 THR CA C 44 67.784 67.784 66.540 1.244 19606 4844 1 20 . 1 1 44 44 THR CB C 44 68.711 68.711 68.117 0.594 19606 4845 1 20 . 1 1 44 44 THR H H 44 7.767 7.767 7.550 0.217 19606 4846 1 20 . 1 1 45 45 GLU N N 45 121.134 121.134 122.097 -0.963 19606 4847 1 20 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.033 0.009 19606 4848 1 20 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.747 0.488 19606 4849 1 20 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.446 -0.844 19606 4850 1 20 . 1 1 45 45 GLU H H 45 7.326 7.326 7.772 -0.446 19606 4851 1 20 . 1 1 46 46 LEU N N 46 120.965 120.965 119.786 1.179 19606 4852 1 20 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.886 -0.136 19606 4853 1 20 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.795 0.512 19606 4854 1 20 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.508 1.008 19606 4855 1 20 . 1 1 46 46 LEU H H 46 8.362 8.362 7.755 0.607 19606 4856 1 20 . 1 1 47 47 LEU N N 47 118.138 118.138 120.371 -2.233 19606 4857 1 20 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.174 0.010 19606 4858 1 20 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.465 -1.238 19606 4859 1 20 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.869 0.248 19606 4860 1 20 . 1 1 47 47 LEU H H 47 8.200 8.200 7.744 0.456 19606 4861 1 20 . 1 1 48 48 GLN N N 48 118.147 118.147 116.273 1.874 19606 4862 1 20 . 1 1 48 48 GLN HA H 48 4.196 4.196 4.049 0.147 19606 4863 1 20 . 1 1 48 48 GLN CA C 48 57.521 57.521 57.967 -0.446 19606 4864 1 20 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.373 0.128 19606 4865 1 20 . 1 1 48 48 GLN H H 48 7.643 7.643 7.858 -0.215 19606 4866 1 20 . 1 1 49 49 LEU N N 49 119.709 119.709 120.528 -0.819 19606 4867 1 20 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.097 0.129 19606 4868 1 20 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.514 -1.178 19606 4869 1 20 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.510 0.823 19606 4870 1 20 . 1 1 49 49 LEU H H 49 7.966 7.966 8.858 -0.892 19606 4871 1 20 . 1 1 50 50 ASN N N 50 117.058 117.058 114.212 2.846 19606 4872 1 20 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.892 -0.161 19606 4873 1 20 . 1 1 50 50 ASN CA C 50 53.671 53.671 51.796 1.875 19606 4874 1 20 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.721 0.470 19606 4875 1 20 . 1 1 50 50 ASN H H 50 7.930 7.930 7.845 0.085 19606 4876 1 20 . 1 1 51 51 ASN N N 51 119.097 119.097 118.091 1.006 19606 4877 1 20 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.553 0.253 19606 4878 1 20 . 1 1 51 51 ASN CA C 51 53.435 53.435 55.016 -1.581 19606 4879 1 20 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.581 0.594 19606 4880 1 20 . 1 1 51 51 ASN H H 51 8.114 8.114 7.854 0.260 19606 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 49 2.128 -0.544 2.078 19606 2 1 1 "Average Difference" HA 52 0.259 0.043 0.257 19606 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19606 4 1 1 "Average Difference" CA 50 1.075 -0.175 1.071 19606 5 1 1 "Average Difference" CB 48 0.833 -0.201 0.817 19606 6 1 1 "Average Difference" HN 49 0.482 -0.139 0.466 19606 7 1 2 "Average Difference" N 49 2.188 -0.555 2.138 19606 8 1 2 "Average Difference" HA 52 0.257 0.029 0.258 19606 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19606 10 1 2 "Average Difference" CA 50 1.172 -0.078 1.181 19606 11 1 2 "Average Difference" CB 48 0.841 -0.127 0.840 19606 12 1 2 "Average Difference" HN 49 0.528 -0.130 0.517 19606 13 1 3 "Average Difference" N 49 1.991 -0.197 2.002 19606 14 1 3 "Average Difference" HA 52 0.252 0.022 0.254 19606 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19606 16 1 3 "Average Difference" CA 50 1.073 -0.051 1.082 19606 17 1 3 "Average Difference" CB 48 0.882 -0.097 0.886 19606 18 1 3 "Average Difference" HN 49 0.486 -0.128 0.473 19606 19 1 4 "Average Difference" N 49 2.090 -0.470 2.057 19606 20 1 4 "Average Difference" HA 52 0.266 0.013 0.268 19606 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19606 22 1 4 "Average Difference" CA 50 1.111 -0.019 1.122 19606 23 1 4 "Average Difference" CB 48 0.887 -0.107 0.890 19606 24 1 4 "Average Difference" HN 49 0.497 -0.159 0.476 19606 25 1 5 "Average Difference" N 49 2.207 -0.567 2.155 19606 26 1 5 "Average Difference" HA 52 0.265 0.037 0.265 19606 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19606 28 1 5 "Average Difference" CA 50 1.013 -0.090 1.019 19606 29 1 5 "Average Difference" CB 48 0.961 -0.122 0.963 19606 30 1 5 "Average Difference" HN 49 0.486 -0.101 0.480 19606 31 1 6 "Average Difference" N 49 2.400 -0.784 2.292 19606 32 1 6 "Average Difference" HA 52 0.276 0.024 0.277 19606 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19606 34 1 6 "Average Difference" CA 50 1.148 -0.046 1.158 19606 35 1 6 "Average Difference" CB 48 1.001 -0.291 0.968 19606 36 1 6 "Average Difference" HN 49 0.511 -0.108 0.505 19606 37 1 7 "Average Difference" N 49 2.150 -0.678 2.061 19606 38 1 7 "Average Difference" HA 52 0.240 0.050 0.236 19606 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19606 40 1 7 "Average Difference" CA 50 1.118 -0.164 1.118 19606 41 1 7 "Average Difference" CB 48 0.930 -0.225 0.912 19606 42 1 7 "Average Difference" HN 49 0.500 -0.112 0.493 19606 43 1 8 "Average Difference" N 49 2.238 -0.619 2.173 19606 44 1 8 "Average Difference" HA 52 0.260 0.036 0.260 19606 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19606 46 1 8 "Average Difference" CA 50 1.094 -0.099 1.101 19606 47 1 8 "Average Difference" CB 48 0.871 -0.192 0.859 19606 48 1 8 "Average Difference" HN 49 0.487 -0.113 0.478 19606 49 1 9 "Average Difference" N 49 1.972 -0.378 1.956 19606 50 1 9 "Average Difference" HA 52 0.262 0.029 0.263 19606 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19606 52 1 9 "Average Difference" CA 50 1.137 -0.104 1.144 19606 53 1 9 "Average Difference" CB 48 0.952 -0.219 0.936 19606 54 1 9 "Average Difference" HN 49 0.524 -0.104 0.519 19606 55 1 10 "Average Difference" N 49 2.227 -0.431 2.207 19606 56 1 10 "Average Difference" HA 52 0.242 0.057 0.238 19606 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19606 58 1 10 "Average Difference" CA 50 0.987 -0.098 0.992 19606 59 1 10 "Average Difference" CB 48 0.869 -0.082 0.874 19606 60 1 10 "Average Difference" HN 49 0.478 -0.118 0.468 19606 61 1 11 "Average Difference" N 49 2.359 -0.249 2.370 19606 62 1 11 "Average Difference" HA 52 0.259 0.029 0.259 19606 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19606 64 1 11 "Average Difference" CA 50 1.270 -0.108 1.278 19606 65 1 11 "Average Difference" CB 48 0.884 -0.234 0.862 19606 66 1 11 "Average Difference" HN 49 0.524 -0.114 0.516 19606 67 1 12 "Average Difference" N 49 2.244 -0.682 2.159 19606 68 1 12 "Average Difference" HA 52 0.231 0.026 0.232 19606 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19606 70 1 12 "Average Difference" CA 50 1.054 -0.016 1.064 19606 71 1 12 "Average Difference" CB 48 0.920 -0.146 0.918 19606 72 1 12 "Average Difference" HN 49 0.491 -0.119 0.481 19606 73 1 13 "Average Difference" N 49 2.170 -0.545 2.122 19606 74 1 13 "Average Difference" HA 52 0.246 0.021 0.248 19606 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19606 76 1 13 "Average Difference" CA 50 1.181 -0.129 1.186 19606 77 1 13 "Average Difference" CB 48 0.847 -0.132 0.845 19606 78 1 13 "Average Difference" HN 49 0.484 -0.088 0.481 19606 79 1 14 "Average Difference" N 49 2.146 -0.373 2.135 19606 80 1 14 "Average Difference" HA 52 0.257 0.036 0.257 19606 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19606 82 1 14 "Average Difference" CA 50 1.170 -0.149 1.172 19606 83 1 14 "Average Difference" CB 48 0.836 -0.204 0.819 19606 84 1 14 "Average Difference" HN 49 0.477 -0.144 0.459 19606 85 1 15 "Average Difference" N 49 2.283 -0.408 2.269 19606 86 1 15 "Average Difference" HA 52 0.256 0.031 0.257 19606 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19606 88 1 15 "Average Difference" CA 50 1.074 -0.097 1.080 19606 89 1 15 "Average Difference" CB 48 0.909 -0.150 0.906 19606 90 1 15 "Average Difference" HN 49 0.524 -0.134 0.512 19606 91 1 16 "Average Difference" N 49 2.119 -0.574 2.061 19606 92 1 16 "Average Difference" HA 52 0.252 0.022 0.254 19606 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19606 94 1 16 "Average Difference" CA 50 1.179 -0.088 1.188 19606 95 1 16 "Average Difference" CB 48 0.839 -0.121 0.839 19606 96 1 16 "Average Difference" HN 49 0.488 -0.110 0.480 19606 97 1 17 "Average Difference" N 49 2.191 -0.326 2.189 19606 98 1 17 "Average Difference" HA 52 0.264 0.020 0.266 19606 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19606 100 1 17 "Average Difference" CA 50 1.089 -0.048 1.099 19606 101 1 17 "Average Difference" CB 48 0.895 -0.210 0.879 19606 102 1 17 "Average Difference" HN 49 0.527 -0.147 0.511 19606 103 1 18 "Average Difference" N 49 2.111 -0.621 2.038 19606 104 1 18 "Average Difference" HA 52 0.279 0.056 0.276 19606 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19606 106 1 18 "Average Difference" CA 50 1.156 -0.162 1.156 19606 107 1 18 "Average Difference" CB 48 0.942 -0.231 0.922 19606 108 1 18 "Average Difference" HN 49 0.461 -0.117 0.451 19606 109 1 19 "Average Difference" N 49 2.057 -0.459 2.026 19606 110 1 19 "Average Difference" HA 52 0.275 0.012 0.278 19606 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19606 112 1 19 "Average Difference" CA 50 1.078 -0.118 1.082 19606 113 1 19 "Average Difference" CB 48 0.886 -0.133 0.886 19606 114 1 19 "Average Difference" HN 49 0.490 -0.118 0.481 19606 115 1 20 "Average Difference" N 49 2.240 -0.623 2.174 19606 116 1 20 "Average Difference" HA 52 0.252 0.016 0.254 19606 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19606 118 1 20 "Average Difference" CA 50 1.096 -0.219 1.085 19606 119 1 20 "Average Difference" CB 48 0.917 -0.222 0.899 19606 120 1 20 "Average Difference" HN 49 0.488 -0.142 0.471 19606 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 19606 _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 4.729 4.729 4.539 0.190 19606 2 1 . 1 1 2 2 PRO CA C 2 63.151 63.151 63.095 0.056 19606 3 1 . 1 1 2 2 PRO CB C 2 32.357 32.357 32.346 0.011 19606 4 1 . 1 1 3 3 LEU N N 3 122.408 122.408 120.062 2.346 19606 5 1 . 1 1 3 3 LEU HA H 3 4.356 4.356 4.384 -0.028 19606 6 1 . 1 1 3 3 LEU CA C 3 55.432 55.432 55.224 0.208 19606 7 1 . 1 1 3 3 LEU CB C 3 42.314 42.314 42.171 0.143 19606 8 1 . 1 1 3 3 LEU H H 3 8.542 8.542 8.030 0.512 19606 9 1 . 1 1 4 4 GLY N N 4 109.946 109.946 108.773 1.173 19606 10 1 . 1 1 4 4 GLY CA C 4 45.294 45.294 44.788 0.506 19606 11 1 . 1 1 4 4 GLY H H 4 8.406 8.406 8.071 0.335 19606 12 1 . 1 1 5 5 SER N N 5 115.532 115.532 116.924 -1.392 19606 13 1 . 1 1 5 5 SER HA H 5 4.501 4.501 4.576 -0.075 19606 14 1 . 1 1 5 5 SER CA C 5 58.036 58.036 58.044 -0.008 19606 15 1 . 1 1 5 5 SER CB C 5 64.169 64.169 64.050 0.119 19606 16 1 . 1 1 5 5 SER H H 5 8.216 8.216 8.312 -0.096 19606 17 1 . 1 1 6 6 SER N N 6 117.955 117.955 117.815 0.140 19606 18 1 . 1 1 6 6 SER HA H 6 4.420 4.420 4.653 -0.233 19606 19 1 . 1 1 6 6 SER CA C 6 58.902 58.902 57.858 1.044 19606 20 1 . 1 1 6 6 SER CB C 6 63.798 63.798 64.602 -0.804 19606 21 1 . 1 1 6 6 SER H H 6 8.460 8.460 8.320 0.140 19606 22 1 . 1 1 7 7 GLU N N 7 122.747 122.747 125.282 -2.535 19606 23 1 . 1 1 7 7 GLU HA H 7 4.025 4.025 4.161 -0.136 19606 24 1 . 1 1 7 7 GLU CA C 7 58.068 58.068 58.585 -0.517 19606 25 1 . 1 1 7 7 GLU CB C 7 29.753 29.753 29.927 -0.174 19606 26 1 . 1 1 7 7 GLU H H 7 8.550 8.550 8.945 -0.395 19606 27 1 . 1 1 8 8 ASP N N 8 120.868 120.868 118.951 1.917 19606 28 1 . 1 1 8 8 ASP HA H 8 4.495 4.495 4.340 0.155 19606 29 1 . 1 1 8 8 ASP CA C 8 55.590 55.590 56.838 -1.248 19606 30 1 . 1 1 8 8 ASP CB C 8 40.662 40.662 40.417 0.245 19606 31 1 . 1 1 8 8 ASP H H 8 8.293 8.293 8.414 -0.121 19606 32 1 . 1 1 9 9 GLN N N 9 121.706 121.706 118.564 3.142 19606 33 1 . 1 1 9 9 GLN HA H 9 4.335 4.335 4.043 0.292 19606 34 1 . 1 1 9 9 GLN CA C 9 57.493 57.493 58.783 -1.290 19606 35 1 . 1 1 9 9 GLN CB C 9 28.739 28.739 28.341 0.398 19606 36 1 . 1 1 9 9 GLN H H 9 8.290 8.290 7.909 0.381 19606 37 1 . 1 1 10 10 THR N N 10 115.700 115.700 116.450 -0.750 19606 38 1 . 1 1 10 10 THR HA H 10 3.802 3.802 3.765 0.037 19606 39 1 . 1 1 10 10 THR CA C 10 67.728 67.728 66.169 1.559 19606 40 1 . 1 1 10 10 THR CB C 10 68.615 68.615 68.280 0.335 19606 41 1 . 1 1 10 10 THR H H 10 8.193 8.193 7.754 0.439 19606 42 1 . 1 1 11 11 ALA N N 11 123.074 123.074 122.284 0.790 19606 43 1 . 1 1 11 11 ALA HA H 11 4.029 4.029 4.057 -0.028 19606 44 1 . 1 1 11 11 ALA CA C 11 55.685 55.685 54.767 0.918 19606 45 1 . 1 1 11 11 ALA CB C 11 17.965 17.965 18.046 -0.081 19606 46 1 . 1 1 11 11 ALA H H 11 8.242 8.242 7.603 0.639 19606 47 1 . 1 1 12 12 ALA N N 12 121.630 121.630 120.828 0.802 19606 48 1 . 1 1 12 12 ALA HA H 12 4.174 4.174 4.048 0.126 19606 49 1 . 1 1 12 12 ALA CA C 12 54.962 54.962 54.342 0.620 19606 50 1 . 1 1 12 12 ALA CB C 12 18.209 18.209 18.354 -0.145 19606 51 1 . 1 1 12 12 ALA H H 12 7.994 7.994 7.484 0.510 19606 52 1 . 1 1 13 13 LEU N N 13 118.959 118.959 118.799 0.160 19606 53 1 . 1 1 13 13 LEU HA H 13 4.180 4.180 3.492 0.688 19606 54 1 . 1 1 13 13 LEU CA C 13 58.084 58.084 57.087 0.997 19606 55 1 . 1 1 13 13 LEU CB C 13 42.138 42.138 41.524 0.614 19606 56 1 . 1 1 13 13 LEU H H 13 8.084 8.084 7.374 0.710 19606 57 1 . 1 1 14 14 MET N N 14 118.344 118.344 116.123 2.221 19606 58 1 . 1 1 14 14 MET HA H 14 4.251 4.251 3.616 0.635 19606 59 1 . 1 1 14 14 MET CA C 14 57.168 57.168 58.467 -1.299 19606 60 1 . 1 1 14 14 MET CB C 14 30.824 30.824 31.844 -1.020 19606 61 1 . 1 1 14 14 MET H H 14 8.735 8.735 8.170 0.565 19606 62 1 . 1 1 15 15 ALA N N 15 121.078 121.078 120.551 0.527 19606 63 1 . 1 1 15 15 ALA HA H 15 4.132 4.132 4.213 -0.081 19606 64 1 . 1 1 15 15 ALA CA C 15 55.284 55.284 54.869 0.415 19606 65 1 . 1 1 15 15 ALA CB C 15 17.851 17.851 17.964 -0.113 19606 66 1 . 1 1 15 15 ALA H H 15 7.934 7.934 7.623 0.311 19606 67 1 . 1 1 16 16 HIS N N 16 117.529 117.529 116.598 0.930 19606 68 1 . 1 1 16 16 HIS HA H 16 4.540 4.540 4.429 0.111 19606 69 1 . 1 1 16 16 HIS CA C 16 58.801 58.801 57.785 1.016 19606 70 1 . 1 1 16 16 HIS CB C 16 29.589 29.589 29.174 0.415 19606 71 1 . 1 1 16 16 HIS H H 16 7.779 7.779 7.448 0.331 19606 72 1 . 1 1 17 17 LEU N N 17 118.416 118.416 118.764 -0.348 19606 73 1 . 1 1 17 17 LEU HA H 17 4.193 4.193 4.292 -0.099 19606 74 1 . 1 1 17 17 LEU CA C 17 58.663 58.663 57.992 0.671 19606 75 1 . 1 1 17 17 LEU CB C 17 41.036 41.036 41.851 -0.815 19606 76 1 . 1 1 17 17 LEU H H 17 8.108 8.108 7.194 0.914 19606 77 1 . 1 1 18 18 PHE N N 18 120.735 120.735 118.320 2.415 19606 78 1 . 1 1 18 18 PHE HA H 18 4.238 4.238 4.194 0.044 19606 79 1 . 1 1 18 18 PHE CA C 18 60.141 60.141 59.386 0.755 19606 80 1 . 1 1 18 18 PHE CB C 18 38.486 38.486 37.508 0.978 19606 81 1 . 1 1 18 18 PHE H H 18 8.671 8.671 7.571 1.100 19606 82 1 . 1 1 19 19 GLU N N 19 120.792 120.792 118.376 2.416 19606 83 1 . 1 1 19 19 GLU HA H 19 4.048 4.048 4.118 -0.070 19606 84 1 . 1 1 19 19 GLU CA C 19 58.995 58.995 58.695 0.300 19606 85 1 . 1 1 19 19 GLU CB C 19 29.401 29.401 29.428 -0.027 19606 86 1 . 1 1 19 19 GLU H H 19 8.274 8.274 7.852 0.422 19606 87 1 . 1 1 20 20 MET N N 20 116.057 116.057 116.382 -0.325 19606 88 1 . 1 1 20 20 MET HA H 20 4.171 4.171 4.328 -0.157 19606 89 1 . 1 1 20 20 MET CA C 20 56.651 56.651 55.985 0.666 19606 90 1 . 1 1 20 20 MET CB C 20 34.798 34.798 33.425 1.373 19606 91 1 . 1 1 20 20 MET H H 20 7.428 7.428 8.029 -0.601 19606 92 1 . 1 1 21 21 GLY N N 21 104.987 104.987 104.289 0.698 19606 93 1 . 1 1 21 21 GLY CA C 21 44.857 44.857 44.849 0.008 19606 94 1 . 1 1 21 21 GLY H H 21 7.655 7.655 7.691 -0.036 19606 95 1 . 1 1 22 22 PHE N N 22 123.944 123.944 120.325 3.619 19606 96 1 . 1 1 22 22 PHE HA H 22 4.841 4.841 4.370 0.471 19606 97 1 . 1 1 22 22 PHE CA C 22 56.627 56.627 60.616 -3.989 19606 98 1 . 1 1 22 22 PHE CB C 22 37.409 37.409 39.705 -2.296 19606 99 1 . 1 1 22 22 PHE H H 22 7.893 7.893 7.396 0.497 19606 100 1 . 1 1 23 23 CYS N N 23 119.030 119.030 116.903 2.127 19606 101 1 . 1 1 23 23 CYS HA H 23 3.883 3.883 4.262 -0.379 19606 102 1 . 1 1 23 23 CYS CA C 23 57.848 57.848 59.894 -2.046 19606 103 1 . 1 1 23 23 CYS CB C 23 28.368 28.368 26.292 2.076 19606 104 1 . 1 1 23 23 CYS H H 23 7.872 7.872 8.762 -0.890 19606 105 1 . 1 1 24 24 ASP N N 24 123.683 123.683 120.390 3.293 19606 106 1 . 1 1 24 24 ASP HA H 24 4.732 4.732 4.972 -0.240 19606 107 1 . 1 1 24 24 ASP CA C 24 52.560 52.560 53.852 -1.292 19606 108 1 . 1 1 24 24 ASP CB C 24 40.308 40.308 41.305 -0.997 19606 109 1 . 1 1 24 24 ASP H H 24 9.239 9.239 8.612 0.627 19606 110 1 . 1 1 25 25 ARG N N 25 124.745 124.745 123.517 1.228 19606 111 1 . 1 1 25 25 ARG HA H 25 4.000 4.000 4.198 -0.198 19606 112 1 . 1 1 25 25 ARG CA C 25 60.689 60.689 59.192 1.497 19606 113 1 . 1 1 25 25 ARG CB C 25 31.249 31.249 29.653 1.596 19606 114 1 . 1 1 25 25 ARG H H 25 8.311 8.311 8.652 -0.341 19606 115 1 . 1 1 26 26 GLN N N 26 115.947 115.947 118.560 -2.613 19606 116 1 . 1 1 26 26 GLN HA H 26 4.032 4.032 4.160 -0.128 19606 117 1 . 1 1 26 26 GLN CA C 26 59.164 59.164 58.542 0.622 19606 118 1 . 1 1 26 26 GLN CB C 26 28.241 28.241 28.071 0.169 19606 119 1 . 1 1 26 26 GLN H H 26 8.305 8.305 8.442 -0.137 19606 120 1 . 1 1 27 27 LEU N N 27 124.102 124.102 121.839 2.263 19606 121 1 . 1 1 27 27 LEU HA H 27 4.020 4.020 3.998 0.021 19606 122 1 . 1 1 27 27 LEU CA C 27 57.684 57.684 57.920 -0.236 19606 123 1 . 1 1 27 27 LEU CB C 27 41.635 41.635 41.404 0.231 19606 124 1 . 1 1 27 27 LEU H H 27 7.650 7.650 7.680 -0.030 19606 125 1 . 1 1 28 28 ASN N N 28 117.933 117.933 117.125 0.808 19606 126 1 . 1 1 28 28 ASN HA H 28 4.051 4.051 4.275 -0.224 19606 127 1 . 1 1 28 28 ASN CA C 28 55.899 55.899 55.975 -0.076 19606 128 1 . 1 1 28 28 ASN CB C 28 38.283 38.283 37.927 0.356 19606 129 1 . 1 1 28 28 ASN H H 28 8.593 8.593 8.158 0.435 19606 130 1 . 1 1 29 29 LEU N N 29 119.088 119.088 121.469 -2.381 19606 131 1 . 1 1 29 29 LEU HA H 29 4.029 4.029 4.177 -0.148 19606 132 1 . 1 1 29 29 LEU CA C 29 58.227 58.227 57.766 0.461 19606 133 1 . 1 1 29 29 LEU CB C 29 42.176 42.176 41.469 0.707 19606 134 1 . 1 1 29 29 LEU H H 29 8.255 8.255 7.554 0.701 19606 135 1 . 1 1 30 30 ARG N N 30 119.126 119.126 119.631 -0.505 19606 136 1 . 1 1 30 30 ARG HA H 30 3.975 3.975 4.110 -0.135 19606 137 1 . 1 1 30 30 ARG CA C 30 59.874 59.874 58.562 1.312 19606 138 1 . 1 1 30 30 ARG CB C 30 30.139 30.139 29.424 0.715 19606 139 1 . 1 1 30 30 ARG H H 30 7.658 7.658 7.891 -0.233 19606 140 1 . 1 1 31 31 LEU N N 31 119.791 119.791 120.694 -0.903 19606 141 1 . 1 1 31 31 LEU HA H 31 4.050 4.050 4.128 -0.078 19606 142 1 . 1 1 31 31 LEU CA C 31 57.591 57.591 57.178 0.413 19606 143 1 . 1 1 31 31 LEU CB C 31 42.692 42.692 41.304 1.388 19606 144 1 . 1 1 31 31 LEU H H 31 8.557 8.557 8.466 0.091 19606 145 1 . 1 1 32 32 LEU N N 32 121.080 121.080 120.147 0.933 19606 146 1 . 1 1 32 32 LEU HA H 32 3.473 3.473 3.820 -0.347 19606 147 1 . 1 1 32 32 LEU CA C 32 58.569 58.569 58.485 0.084 19606 148 1 . 1 1 32 32 LEU CB C 32 41.220 41.220 41.504 -0.284 19606 149 1 . 1 1 32 32 LEU H H 32 8.822 8.822 7.932 0.890 19606 150 1 . 1 1 33 33 LYS N N 33 116.581 116.581 116.594 -0.013 19606 151 1 . 1 1 33 33 LYS HA H 33 3.623 3.623 4.161 -0.538 19606 152 1 . 1 1 33 33 LYS CA C 33 59.669 59.669 58.727 0.941 19606 153 1 . 1 1 33 33 LYS CB C 33 32.299 32.299 31.883 0.416 19606 154 1 . 1 1 33 33 LYS H H 33 7.510 7.510 7.653 -0.143 19606 155 1 . 1 1 34 34 LYS N N 34 121.781 121.781 118.523 3.258 19606 156 1 . 1 1 34 34 LYS HA H 34 3.798 3.798 4.066 -0.268 19606 157 1 . 1 1 34 34 LYS CA C 34 59.309 59.309 58.238 1.071 19606 158 1 . 1 1 34 34 LYS CB C 34 33.521 33.521 32.468 1.053 19606 159 1 . 1 1 34 34 LYS H H 34 7.915 7.915 7.415 0.500 19606 160 1 . 1 1 35 35 HIS N N 35 113.017 113.017 114.157 -1.140 19606 161 1 . 1 1 35 35 HIS HA H 35 4.778 4.778 4.646 0.132 19606 162 1 . 1 1 35 35 HIS CA C 35 55.537 55.537 56.096 -0.559 19606 163 1 . 1 1 35 35 HIS CB C 35 30.222 30.222 29.983 0.239 19606 164 1 . 1 1 35 35 HIS H H 35 7.662 7.662 8.027 -0.365 19606 165 1 . 1 1 36 36 ASN N N 36 119.419 119.419 116.415 3.003 19606 166 1 . 1 1 36 36 ASN HA H 36 4.255 4.255 4.442 -0.187 19606 167 1 . 1 1 36 36 ASN CA C 36 55.064 55.064 54.136 0.928 19606 168 1 . 1 1 36 36 ASN CB C 36 37.203 37.203 36.156 1.047 19606 169 1 . 1 1 36 36 ASN H H 36 7.781 7.781 7.966 -0.185 19606 170 1 . 1 1 37 37 TYR N N 37 107.213 107.213 112.698 -5.485 19606 171 1 . 1 1 37 37 TYR HA H 37 4.209 4.209 4.069 0.140 19606 172 1 . 1 1 37 37 TYR CA C 37 60.808 60.808 59.566 1.242 19606 173 1 . 1 1 37 37 TYR CB C 37 33.954 33.954 36.136 -2.181 19606 174 1 . 1 1 37 37 TYR H H 37 9.103 9.103 8.818 0.285 19606 175 1 . 1 1 38 38 ASN N N 38 116.482 116.482 118.953 -2.471 19606 176 1 . 1 1 38 38 ASN HA H 38 4.815 4.815 4.986 -0.171 19606 177 1 . 1 1 38 38 ASN CA C 38 52.678 52.678 51.539 1.139 19606 178 1 . 1 1 38 38 ASN CB C 38 38.481 38.481 38.801 -0.320 19606 179 1 . 1 1 38 38 ASN H H 38 7.249 7.249 8.002 -0.753 19606 180 1 . 1 1 39 39 ILE N N 39 126.777 126.777 125.358 1.419 19606 181 1 . 1 1 39 39 ILE HA H 39 3.775 3.775 3.687 0.088 19606 182 1 . 1 1 39 39 ILE CA C 39 63.012 63.012 63.272 -0.259 19606 183 1 . 1 1 39 39 ILE CB C 39 38.437 38.437 38.259 0.178 19606 184 1 . 1 1 39 39 ILE H H 39 8.568 8.568 8.543 0.025 19606 185 1 . 1 1 40 40 LEU N N 40 122.044 122.044 118.126 3.918 19606 186 1 . 1 1 40 40 LEU HA H 40 4.018 4.018 3.820 0.198 19606 187 1 . 1 1 40 40 LEU CA C 40 58.200 58.200 58.103 0.097 19606 188 1 . 1 1 40 40 LEU CB C 40 40.699 40.699 40.965 -0.266 19606 189 1 . 1 1 40 40 LEU H H 40 7.993 7.993 7.970 0.023 19606 190 1 . 1 1 41 41 GLN N N 41 119.421 119.421 116.676 2.745 19606 191 1 . 1 1 41 41 GLN HA H 41 3.756 3.756 3.876 -0.120 19606 192 1 . 1 1 41 41 GLN CA C 41 58.318 58.318 57.839 0.479 19606 193 1 . 1 1 41 41 GLN CB C 41 28.104 28.104 27.844 0.260 19606 194 1 . 1 1 41 41 GLN H H 41 7.555 7.555 7.538 0.017 19606 195 1 . 1 1 42 42 VAL N N 42 119.806 119.806 121.428 -1.622 19606 196 1 . 1 1 42 42 VAL HA H 42 3.192 3.192 3.683 -0.491 19606 197 1 . 1 1 42 42 VAL CA C 42 67.354 67.354 66.314 1.040 19606 198 1 . 1 1 42 42 VAL CB C 42 31.545 31.545 31.330 0.215 19606 199 1 . 1 1 42 42 VAL H H 42 7.454 7.454 8.160 -0.706 19606 200 1 . 1 1 43 43 VAL N N 43 118.511 118.511 119.049 -0.538 19606 201 1 . 1 1 43 43 VAL HA H 43 3.140 3.140 3.473 -0.333 19606 202 1 . 1 1 43 43 VAL CA C 43 66.968 66.968 66.845 0.123 19606 203 1 . 1 1 43 43 VAL CB C 43 31.767 31.767 31.081 0.685 19606 204 1 . 1 1 43 43 VAL H H 43 8.396 8.396 8.505 -0.109 19606 205 1 . 1 1 44 44 THR N N 44 114.155 114.155 115.635 -1.480 19606 206 1 . 1 1 44 44 THR HA H 44 3.673 3.673 3.938 -0.265 19606 207 1 . 1 1 44 44 THR CA C 44 67.784 67.784 67.158 0.626 19606 208 1 . 1 1 44 44 THR CB C 44 68.711 68.711 68.328 0.383 19606 209 1 . 1 1 44 44 THR H H 44 7.767 7.767 7.595 0.172 19606 210 1 . 1 1 45 45 GLU N N 45 121.134 121.134 122.368 -1.234 19606 211 1 . 1 1 45 45 GLU HA H 45 4.042 4.042 4.129 -0.087 19606 212 1 . 1 1 45 45 GLU CA C 45 60.235 60.235 59.472 0.764 19606 213 1 . 1 1 45 45 GLU CB C 45 28.602 28.602 29.379 -0.777 19606 214 1 . 1 1 45 45 GLU H H 45 7.326 7.326 7.663 -0.336 19606 215 1 . 1 1 46 46 LEU N N 46 120.965 120.965 120.064 0.901 19606 216 1 . 1 1 46 46 LEU HA H 46 3.750 3.750 3.846 -0.096 19606 217 1 . 1 1 46 46 LEU CA C 46 58.307 58.307 57.797 0.510 19606 218 1 . 1 1 46 46 LEU CB C 46 41.516 41.516 40.726 0.790 19606 219 1 . 1 1 46 46 LEU H H 46 8.362 8.362 7.762 0.600 19606 220 1 . 1 1 47 47 LEU N N 47 118.138 118.138 119.698 -1.560 19606 221 1 . 1 1 47 47 LEU HA H 47 4.184 4.184 4.194 -0.010 19606 222 1 . 1 1 47 47 LEU CA C 47 57.227 57.227 58.355 -1.128 19606 223 1 . 1 1 47 47 LEU CB C 47 42.117 42.117 41.777 0.340 19606 224 1 . 1 1 47 47 LEU H H 47 8.200 8.200 8.026 0.174 19606 225 1 . 1 1 48 48 GLN N N 48 118.147 118.147 117.984 0.163 19606 226 1 . 1 1 48 48 GLN HA H 48 4.196 4.196 3.999 0.197 19606 227 1 . 1 1 48 48 GLN CA C 48 57.521 57.521 58.777 -1.256 19606 228 1 . 1 1 48 48 GLN CB C 48 28.501 28.501 28.742 -0.241 19606 229 1 . 1 1 48 48 GLN H H 48 7.643 7.643 7.901 -0.258 19606 230 1 . 1 1 49 49 LEU N N 49 119.709 119.709 120.028 -0.319 19606 231 1 . 1 1 49 49 LEU HA H 49 4.226 4.226 4.123 0.103 19606 232 1 . 1 1 49 49 LEU CA C 49 56.336 56.336 57.594 -1.258 19606 233 1 . 1 1 49 49 LEU CB C 49 42.333 42.333 41.798 0.535 19606 234 1 . 1 1 49 49 LEU H H 49 7.966 7.966 8.581 -0.615 19606 235 1 . 1 1 50 50 ASN N N 50 117.058 117.058 115.527 1.531 19606 236 1 . 1 1 50 50 ASN HA H 50 4.731 4.731 4.678 0.053 19606 237 1 . 1 1 50 50 ASN CA C 50 53.671 53.671 53.955 -0.284 19606 238 1 . 1 1 50 50 ASN CB C 50 39.191 39.191 38.647 0.544 19606 239 1 . 1 1 50 50 ASN H H 50 7.930 7.930 7.929 0.001 19606 240 1 . 1 1 51 51 ASN N N 51 119.097 119.097 117.668 1.429 19606 241 1 . 1 1 51 51 ASN HA H 51 4.806 4.806 4.610 0.196 19606 242 1 . 1 1 51 51 ASN CA C 51 53.435 53.435 54.633 -1.198 19606 243 1 . 1 1 51 51 ASN CB C 51 39.175 39.175 38.913 0.261 19606 244 1 . 1 1 51 51 ASN H H 51 8.114 8.114 8.117 -0.003 19606 stop_ save_