data_19713 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19713 _Entry.PDB_ID 2MJA 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 19713 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 123.873 123.873 125.558 -1.685 19713 2 1 1 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.759 0.081 19713 3 1 1 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.804 -1.105 19713 4 1 1 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.598 2.945 19713 5 1 1 . 1 1 2 2 LEU H H 2 8.977 8.977 8.436 0.541 19713 6 1 1 . 1 1 3 3 MET N N 3 128.873 128.873 124.320 4.553 19713 7 1 1 . 1 1 3 3 MET HA H 3 3.402 3.402 4.383 -0.981 19713 8 1 1 . 1 1 3 3 MET CA C 3 55.648 55.648 55.689 -0.041 19713 9 1 1 . 1 1 3 3 MET CB C 3 31.068 31.068 32.636 -1.568 19713 10 1 1 . 1 1 3 3 MET H H 3 8.669 8.669 8.529 0.140 19713 11 1 1 . 1 1 4 4 ILE N N 4 127.600 127.600 124.066 3.534 19713 12 1 1 . 1 1 4 4 ILE HA H 4 3.923 3.923 3.999 -0.076 19713 13 1 1 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.909 -2.245 19713 14 1 1 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.781 0.093 19713 15 1 1 . 1 1 4 4 ILE H H 4 8.843 8.843 8.503 0.340 19713 16 1 1 . 1 1 5 5 THR N N 5 109.859 109.859 110.660 -0.801 19713 17 1 1 . 1 1 5 5 THR HA H 5 4.232 4.232 4.242 -0.010 19713 18 1 1 . 1 1 5 5 THR CA C 5 60.044 60.044 61.387 -1.343 19713 19 1 1 . 1 1 5 5 THR CB C 5 98.915 98.915 69.148 29.767 19713 20 1 1 . 1 1 5 5 THR H H 5 7.255 7.255 7.521 -0.266 19713 21 1 1 . 1 1 6 6 SER N N 6 116.037 116.037 116.197 -0.160 19713 22 1 1 . 1 1 6 6 SER HA H 6 5.353 5.353 4.606 0.747 19713 23 1 1 . 1 1 6 6 SER CA C 6 56.774 56.774 57.572 -0.798 19713 24 1 1 . 1 1 6 6 SER CB C 6 64.813 64.813 64.231 0.582 19713 25 1 1 . 1 1 6 6 SER H H 6 7.717 7.717 7.904 -0.188 19713 26 1 1 . 1 1 7 7 PHE N N 7 121.810 121.810 123.892 -2.082 19713 27 1 1 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.643 0.268 19713 28 1 1 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.574 0.189 19713 29 1 1 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.551 2.872 19713 30 1 1 . 1 1 7 7 PHE H H 7 8.928 8.928 8.234 0.694 19713 31 1 1 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.500 0.095 19713 32 1 1 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.012 1.566 19713 33 1 1 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.122 -0.072 19713 34 1 1 . 1 1 9 9 ASN N N 9 116.543 116.543 117.357 -0.814 19713 35 1 1 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.973 0.277 19713 36 1 1 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.909 -2.237 19713 37 1 1 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.460 -0.702 19713 38 1 1 . 1 1 9 9 ASN H H 9 8.133 8.133 7.975 0.158 19713 39 1 1 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.464 -0.126 19713 40 1 1 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.088 -0.510 19713 41 1 1 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.246 0.109 19713 42 1 1 . 1 1 11 11 ARG N N 11 118.730 118.730 119.600 -0.870 19713 43 1 1 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.036 0.118 19713 44 1 1 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.783 -0.932 19713 45 1 1 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.825 -0.222 19713 46 1 1 . 1 1 11 11 ARG H H 11 8.091 8.091 8.645 -0.554 19713 47 1 1 . 1 1 12 12 VAL N N 12 122.396 122.396 118.206 4.190 19713 48 1 1 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.616 0.019 19713 49 1 1 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.584 -0.052 19713 50 1 1 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.279 0.482 19713 51 1 1 . 1 1 12 12 VAL H H 12 7.235 7.235 7.944 -0.709 19713 52 1 1 . 1 1 13 13 ALA N N 13 119.674 119.674 121.542 -1.868 19713 53 1 1 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.040 -0.916 19713 54 1 1 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.596 -0.881 19713 55 1 1 . 1 1 13 13 ALA CB C 13 18.757 18.757 17.966 0.791 19713 56 1 1 . 1 1 13 13 ALA H H 13 6.857 6.857 7.683 -0.826 19713 57 1 1 . 1 1 14 14 GLN N N 14 115.202 115.202 119.310 -4.108 19713 58 1 1 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.020 -0.337 19713 59 1 1 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.367 -0.579 19713 60 1 1 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.226 0.181 19713 61 1 1 . 1 1 14 14 GLN H H 14 7.800 7.800 8.460 -0.660 19713 62 1 1 . 1 1 15 15 ALA N N 15 121.416 121.416 122.148 -0.732 19713 63 1 1 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.015 0.282 19713 64 1 1 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.044 -0.054 19713 65 1 1 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.967 -0.231 19713 66 1 1 . 1 1 15 15 ALA H H 15 7.882 7.882 8.154 -0.272 19713 67 1 1 . 1 1 16 16 PHE N N 16 120.765 120.765 118.855 1.910 19713 68 1 1 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.456 -0.844 19713 69 1 1 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.765 -1.624 19713 70 1 1 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.220 -0.562 19713 71 1 1 . 1 1 16 16 PHE H H 16 8.150 8.150 8.655 -0.504 19713 72 1 1 . 1 1 17 17 VAL N N 17 120.622 120.622 116.048 4.574 19713 73 1 1 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.621 -0.410 19713 74 1 1 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.029 2.606 19713 75 1 1 . 1 1 17 17 VAL CB C 17 31.503 31.503 30.616 0.887 19713 76 1 1 . 1 1 17 17 VAL H H 17 8.193 8.193 8.209 -0.016 19713 77 1 1 . 1 1 18 18 ASP N N 18 123.142 123.142 122.267 0.875 19713 78 1 1 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.378 0.015 19713 79 1 1 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.857 -0.308 19713 80 1 1 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.201 -1.379 19713 81 1 1 . 1 1 18 18 ASP H H 18 9.093 9.093 8.238 0.855 19713 82 1 1 . 1 1 19 19 TYR N N 19 122.100 122.100 118.537 3.563 19713 83 1 1 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.374 0.015 19713 84 1 1 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.212 0.583 19713 85 1 1 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.084 -0.097 19713 86 1 1 . 1 1 19 19 TYR H H 19 8.142 8.142 8.103 0.039 19713 87 1 1 . 1 1 20 20 MET N N 20 119.265 119.265 116.173 3.092 19713 88 1 1 . 1 1 20 20 MET HA H 20 3.987 3.987 3.873 0.114 19713 89 1 1 . 1 1 20 20 MET CA C 20 56.147 56.147 56.865 -0.718 19713 90 1 1 . 1 1 20 20 MET CB C 20 28.818 28.818 32.306 -3.488 19713 91 1 1 . 1 1 20 20 MET H H 20 8.421 8.421 7.418 1.003 19713 92 1 1 . 1 1 21 21 ALA N N 21 124.076 124.076 122.402 1.674 19713 93 1 1 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.287 -0.192 19713 94 1 1 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.793 0.747 19713 95 1 1 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.302 -0.987 19713 96 1 1 . 1 1 21 21 ALA H H 21 8.107 8.107 7.897 0.210 19713 97 1 1 . 1 1 22 22 THR N N 22 111.538 111.538 112.660 -1.122 19713 98 1 1 . 1 1 22 22 THR HA H 22 4.236 4.236 4.108 0.128 19713 99 1 1 . 1 1 22 22 THR CA C 22 64.631 64.631 64.890 -0.259 19713 100 1 1 . 1 1 22 22 THR CB C 22 69.311 69.311 68.831 0.480 19713 101 1 1 . 1 1 22 22 THR H H 22 7.590 7.590 7.897 -0.307 19713 102 1 1 . 1 1 23 23 GLN N N 23 118.055 118.055 118.450 -0.395 19713 103 1 1 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.394 -0.033 19713 104 1 1 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.743 -2.010 19713 105 1 1 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.145 -0.298 19713 106 1 1 . 1 1 23 23 GLN H H 23 7.219 7.219 7.865 -0.646 19713 107 1 1 . 1 1 24 24 GLY N N 24 106.367 106.367 107.792 -1.425 19713 108 1 1 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.044 0.440 19713 109 1 1 . 1 1 24 24 GLY H H 24 7.641 7.641 7.755 -0.114 19713 110 1 1 . 1 1 25 25 VAL N N 25 120.869 120.869 120.711 0.158 19713 111 1 1 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.302 -0.040 19713 112 1 1 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.930 -0.050 19713 113 1 1 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.461 0.369 19713 114 1 1 . 1 1 25 25 VAL H H 25 7.664 7.664 8.185 -0.521 19713 115 1 1 . 1 1 26 26 ILE N N 26 128.372 128.372 127.706 0.666 19713 116 1 1 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.149 -0.226 19713 117 1 1 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.401 -0.406 19713 118 1 1 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.527 -0.591 19713 119 1 1 . 1 1 26 26 ILE H H 26 9.003 9.003 8.503 0.500 19713 120 1 1 . 1 1 27 27 LEU N N 27 130.068 130.068 125.884 4.184 19713 121 1 1 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.755 0.459 19713 122 1 1 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.915 -0.892 19713 123 1 1 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.417 0.387 19713 124 1 1 . 1 1 27 27 LEU H H 27 8.291 8.291 8.324 -0.033 19713 125 1 1 . 1 1 28 28 THR N N 28 111.171 111.171 115.502 -4.331 19713 126 1 1 . 1 1 28 28 THR HA H 28 4.763 4.763 4.531 0.232 19713 127 1 1 . 1 1 28 28 THR CA C 28 60.132 60.132 61.428 -1.296 19713 128 1 1 . 1 1 28 28 THR CB C 28 71.760 71.760 70.429 1.331 19713 129 1 1 . 1 1 28 28 THR H H 28 8.948 8.948 8.206 0.742 19713 130 1 1 . 1 1 29 29 ILE N N 29 121.390 121.390 121.875 -0.485 19713 131 1 1 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.430 0.880 19713 132 1 1 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.224 -0.316 19713 133 1 1 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.503 1.265 19713 134 1 1 . 1 1 29 29 ILE H H 29 8.713 8.713 8.422 0.291 19713 135 1 1 . 1 1 30 30 GLN N N 30 127.776 127.776 124.412 3.364 19713 136 1 1 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.561 0.211 19713 137 1 1 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.231 -0.602 19713 138 1 1 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.672 1.637 19713 139 1 1 . 1 1 30 30 GLN H H 30 9.518 9.518 8.498 1.020 19713 140 1 1 . 1 1 31 31 GLN N N 31 125.893 125.893 123.472 2.421 19713 141 1 1 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.503 0.760 19713 142 1 1 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.381 -0.371 19713 143 1 1 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.229 1.167 19713 144 1 1 . 1 1 31 31 GLN H H 31 9.029 9.029 8.661 0.368 19713 145 1 1 . 1 1 32 32 HIS N N 32 121.451 121.451 124.305 -2.854 19713 146 1 1 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.404 0.562 19713 147 1 1 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.383 -1.869 19713 148 1 1 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.506 0.155 19713 149 1 1 . 1 1 32 32 HIS H H 32 8.912 8.912 8.607 0.305 19713 150 1 1 . 1 1 33 33 ASN N N 33 121.954 121.954 121.593 0.361 19713 151 1 1 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.964 0.236 19713 152 1 1 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.029 0.077 19713 153 1 1 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.872 0.576 19713 154 1 1 . 1 1 33 33 ASN H H 33 8.940 8.940 8.577 0.363 19713 155 1 1 . 1 1 34 34 GLN N N 34 123.175 123.175 122.335 0.840 19713 156 1 1 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.536 0.083 19713 157 1 1 . 1 1 34 34 GLN CA C 34 55.582 55.582 56.010 -0.428 19713 158 1 1 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.353 0.822 19713 159 1 1 . 1 1 34 34 GLN H H 34 8.648 8.648 8.601 0.047 19713 160 1 1 . 1 1 35 35 SER N N 35 118.568 118.568 120.451 -1.883 19713 161 1 1 . 1 1 35 35 SER HA H 35 4.784 4.784 4.644 0.140 19713 162 1 1 . 1 1 35 35 SER CA C 35 57.693 57.693 57.768 -0.075 19713 163 1 1 . 1 1 35 35 SER CB C 35 64.218 64.218 63.888 0.330 19713 164 1 1 . 1 1 35 35 SER H H 35 8.744 8.744 8.530 0.214 19713 165 1 1 . 1 1 36 36 ASP N N 36 127.988 127.988 126.379 1.609 19713 166 1 1 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.804 0.183 19713 167 1 1 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.566 0.566 19713 168 1 1 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.797 0.107 19713 169 1 1 . 1 1 36 36 ASP H H 36 8.909 8.909 8.671 0.238 19713 170 1 1 . 1 1 37 37 VAL N N 37 122.751 122.751 124.162 -1.411 19713 171 1 1 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.392 0.585 19713 172 1 1 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.770 0.051 19713 173 1 1 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.798 1.301 19713 174 1 1 . 1 1 37 37 VAL H H 37 8.691 8.691 8.496 0.195 19713 175 1 1 . 1 1 38 38 TRP N N 38 128.913 128.913 127.517 1.396 19713 176 1 1 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.012 0.070 19713 177 1 1 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.453 1.321 19713 178 1 1 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.493 2.715 19713 179 1 1 . 1 1 38 38 TRP H H 38 9.644 9.644 7.774 1.870 19713 180 1 1 . 1 1 39 39 LEU N N 39 122.523 122.523 121.860 0.663 19713 181 1 1 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.678 0.173 19713 182 1 1 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.029 -1.621 19713 183 1 1 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.559 2.338 19713 184 1 1 . 1 1 39 39 LEU H H 39 9.378 9.378 8.343 1.035 19713 185 1 1 . 1 1 40 40 ALA N N 40 129.759 129.759 125.688 4.071 19713 186 1 1 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.428 0.150 19713 187 1 1 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.701 1.590 19713 188 1 1 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.126 -0.090 19713 189 1 1 . 1 1 40 40 ALA H H 40 8.806 8.806 8.435 0.371 19713 190 1 1 . 1 1 41 41 ASP N N 41 115.611 115.611 119.633 -4.022 19713 191 1 1 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.633 0.192 19713 192 1 1 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.132 -1.115 19713 193 1 1 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.689 -1.072 19713 194 1 1 . 1 1 41 41 ASP H H 41 7.774 7.774 8.366 -0.592 19713 195 1 1 . 1 1 42 42 GLU N N 42 123.031 123.031 124.910 -1.879 19713 196 1 1 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.938 -0.304 19713 197 1 1 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.599 0.090 19713 198 1 1 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.626 -0.993 19713 199 1 1 . 1 1 42 42 GLU H H 42 8.508 8.508 8.333 0.175 19713 200 1 1 . 1 1 43 43 SER N N 43 116.358 116.358 116.046 0.312 19713 201 1 1 . 1 1 43 43 SER HA H 43 4.373 4.373 4.138 0.235 19713 202 1 1 . 1 1 43 43 SER CA C 43 61.171 61.171 60.809 0.362 19713 203 1 1 . 1 1 43 43 SER CB C 43 62.526 62.526 62.932 -0.406 19713 204 1 1 . 1 1 43 43 SER H H 43 8.325 8.325 8.135 0.190 19713 205 1 1 . 1 1 44 44 GLN N N 44 118.846 118.846 119.121 -0.275 19713 206 1 1 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.298 0.364 19713 207 1 1 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.346 -1.873 19713 208 1 1 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.359 -0.224 19713 209 1 1 . 1 1 44 44 GLN H H 44 7.741 7.741 8.060 -0.319 19713 210 1 1 . 1 1 45 45 ALA N N 45 122.785 122.785 122.400 0.385 19713 211 1 1 . 1 1 45 45 ALA HA H 45 3.550 3.550 4.042 -0.492 19713 212 1 1 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.087 1.876 19713 213 1 1 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.347 0.450 19713 214 1 1 . 1 1 45 45 ALA H H 45 7.567 7.567 7.916 -0.349 19713 215 1 1 . 1 1 46 46 GLU N N 46 116.794 116.794 118.134 -1.340 19713 216 1 1 . 1 1 46 46 GLU HA H 46 4.032 4.032 4.054 -0.022 19713 217 1 1 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.278 0.542 19713 218 1 1 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.558 -0.870 19713 219 1 1 . 1 1 46 46 GLU H H 46 8.686 8.686 7.892 0.794 19713 220 1 1 . 1 1 47 47 ARG N N 47 122.101 122.101 120.241 1.860 19713 221 1 1 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.059 0.186 19713 222 1 1 . 1 1 47 47 ARG CA C 47 58.813 58.813 58.943 -0.130 19713 223 1 1 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.506 0.560 19713 224 1 1 . 1 1 47 47 ARG H H 47 8.042 8.042 8.188 -0.147 19713 225 1 1 . 1 1 48 48 VAL N N 48 118.395 118.395 116.838 1.557 19713 226 1 1 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.794 -0.144 19713 227 1 1 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.202 0.760 19713 228 1 1 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.534 -0.280 19713 229 1 1 . 1 1 48 48 VAL H H 48 8.466 8.466 8.330 0.136 19713 230 1 1 . 1 1 49 49 ARG N N 49 119.126 119.126 120.635 -1.509 19713 231 1 1 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.937 -0.066 19713 232 1 1 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.830 0.926 19713 233 1 1 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.927 -0.368 19713 234 1 1 . 1 1 49 49 ARG H H 49 8.604 8.604 7.646 0.958 19713 235 1 1 . 1 1 50 50 ALA N N 50 123.287 123.287 121.933 1.354 19713 236 1 1 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.149 0.125 19713 237 1 1 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.170 -0.048 19713 238 1 1 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.102 -0.094 19713 239 1 1 . 1 1 50 50 ALA H H 50 8.081 8.081 8.067 0.014 19713 240 1 1 . 1 1 51 51 GLU N N 51 118.576 118.576 118.781 -0.205 19713 241 1 1 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.013 0.436 19713 242 1 1 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.737 -0.397 19713 243 1 1 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.216 0.902 19713 244 1 1 . 1 1 51 51 GLU H H 51 8.386 8.386 7.795 0.591 19713 245 1 1 . 1 1 52 52 LEU N N 52 122.397 122.397 120.571 1.826 19713 246 1 1 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.075 -0.137 19713 247 1 1 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.451 -0.706 19713 248 1 1 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.753 -0.510 19713 249 1 1 . 1 1 52 52 LEU H H 52 8.976 8.976 8.475 0.501 19713 250 1 1 . 1 1 53 53 ALA N N 53 119.025 119.025 120.870 -1.845 19713 251 1 1 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.982 0.072 19713 252 1 1 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.134 -0.040 19713 253 1 1 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.153 -0.556 19713 254 1 1 . 1 1 53 53 ALA H H 53 7.418 7.418 7.970 -0.552 19713 255 1 1 . 1 1 54 54 ARG N N 54 116.311 116.311 117.369 -1.058 19713 256 1 1 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.190 -0.054 19713 257 1 1 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.564 0.122 19713 258 1 1 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.353 0.087 19713 259 1 1 . 1 1 54 54 ARG H H 54 7.316 7.316 7.791 -0.475 19713 260 1 1 . 1 1 55 55 PHE N N 55 122.048 122.048 121.192 0.856 19713 261 1 1 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.366 -0.333 19713 262 1 1 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.846 0.940 19713 263 1 1 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.567 0.489 19713 264 1 1 . 1 1 55 55 PHE H H 55 8.729 8.729 7.973 0.756 19713 265 1 1 . 1 1 56 56 LEU N N 56 116.538 116.538 120.834 -4.296 19713 266 1 1 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.915 0.128 19713 267 1 1 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.821 -2.104 19713 268 1 1 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.917 0.117 19713 269 1 1 . 1 1 56 56 LEU H H 56 8.133 8.133 8.865 -0.732 19713 270 1 1 . 1 1 57 57 GLU N N 57 118.454 118.454 116.718 1.736 19713 271 1 1 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.167 -0.063 19713 272 1 1 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.806 0.748 19713 273 1 1 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.738 0.288 19713 274 1 1 . 1 1 57 57 GLU H H 57 7.479 7.479 7.988 -0.509 19713 275 1 1 . 1 1 58 58 ASN N N 58 116.134 116.134 119.780 -3.646 19713 276 1 1 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.017 -0.111 19713 277 1 1 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.177 0.987 19713 278 1 1 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.326 0.485 19713 279 1 1 . 1 1 58 58 ASN H H 58 7.722 7.722 7.816 -0.094 19713 280 1 1 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.307 -0.217 19713 281 1 1 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.212 0.671 19713 282 1 1 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.924 0.932 19713 283 1 1 . 1 1 60 60 ALA N N 60 123.290 123.290 127.610 -4.320 19713 284 1 1 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.337 -0.141 19713 285 1 1 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.784 0.093 19713 286 1 1 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.426 -1.528 19713 287 1 1 . 1 1 60 60 ALA H H 60 7.995 7.995 7.938 0.057 19713 288 1 1 . 1 1 61 61 ASP N N 61 118.409 118.409 118.992 -0.583 19713 289 1 1 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.617 -0.042 19713 290 1 1 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.551 -1.277 19713 291 1 1 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.933 -1.046 19713 292 1 1 . 1 1 61 61 ASP H H 61 7.985 7.985 8.151 -0.166 19713 293 1 1 . 1 1 62 62 LEU N N 62 121.754 121.754 118.223 3.531 19713 294 1 1 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.202 -0.032 19713 295 1 1 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.905 -1.232 19713 296 1 1 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.468 0.524 19713 297 1 1 . 1 1 62 62 LEU H H 62 7.921 7.921 8.216 -0.295 19713 298 1 2 . 1 1 2 2 LEU N N 2 123.873 123.873 125.603 -1.730 19713 299 1 2 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.752 0.088 19713 300 1 2 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.813 -1.114 19713 301 1 2 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.619 2.924 19713 302 1 2 . 1 1 2 2 LEU H H 2 8.977 8.977 8.443 0.534 19713 303 1 2 . 1 1 3 3 MET N N 3 128.873 128.873 124.319 4.554 19713 304 1 2 . 1 1 3 3 MET HA H 3 3.402 3.402 4.375 -0.973 19713 305 1 2 . 1 1 3 3 MET CA C 3 55.648 55.648 55.678 -0.030 19713 306 1 2 . 1 1 3 3 MET CB C 3 31.068 31.068 32.587 -1.519 19713 307 1 2 . 1 1 3 3 MET H H 3 8.669 8.669 8.532 0.137 19713 308 1 2 . 1 1 4 4 ILE N N 4 127.600 127.600 123.823 3.777 19713 309 1 2 . 1 1 4 4 ILE HA H 4 3.923 3.923 3.986 -0.063 19713 310 1 2 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.784 -2.120 19713 311 1 2 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.828 0.046 19713 312 1 2 . 1 1 4 4 ILE H H 4 8.843 8.843 8.576 0.267 19713 313 1 2 . 1 1 5 5 THR N N 5 109.859 109.859 110.073 -0.214 19713 314 1 2 . 1 1 5 5 THR HA H 5 4.232 4.232 4.223 0.009 19713 315 1 2 . 1 1 5 5 THR CA C 5 60.044 60.044 61.335 -1.291 19713 316 1 2 . 1 1 5 5 THR CB C 5 98.915 98.915 68.743 30.172 19713 317 1 2 . 1 1 5 5 THR H H 5 7.255 7.255 7.483 -0.228 19713 318 1 2 . 1 1 6 6 SER N N 6 116.037 116.037 116.290 -0.253 19713 319 1 2 . 1 1 6 6 SER HA H 6 5.353 5.353 4.672 0.681 19713 320 1 2 . 1 1 6 6 SER CA C 6 56.774 56.774 57.791 -1.017 19713 321 1 2 . 1 1 6 6 SER CB C 6 64.813 64.813 64.110 0.703 19713 322 1 2 . 1 1 6 6 SER H H 6 7.717 7.717 7.969 -0.252 19713 323 1 2 . 1 1 7 7 PHE N N 7 121.810 121.810 124.356 -2.546 19713 324 1 2 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.656 0.255 19713 325 1 2 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.514 0.249 19713 326 1 2 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.492 2.931 19713 327 1 2 . 1 1 7 7 PHE H H 7 8.928 8.928 8.226 0.702 19713 328 1 2 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.510 0.085 19713 329 1 2 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.978 1.600 19713 330 1 2 . 1 1 8 8 ALA CB C 8 19.050 19.050 18.981 0.069 19713 331 1 2 . 1 1 9 9 ASN N N 9 116.543 116.543 117.213 -0.670 19713 332 1 2 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.914 0.336 19713 333 1 2 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.635 -2.963 19713 334 1 2 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.689 -0.931 19713 335 1 2 . 1 1 9 9 ASN H H 9 8.133 8.133 7.744 0.389 19713 336 1 2 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.475 -0.137 19713 337 1 2 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.292 -0.714 19713 338 1 2 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.349 0.006 19713 339 1 2 . 1 1 11 11 ARG N N 11 118.730 118.730 119.124 -0.394 19713 340 1 2 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.086 0.068 19713 341 1 2 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.428 -0.577 19713 342 1 2 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.204 0.399 19713 343 1 2 . 1 1 11 11 ARG H H 11 8.091 8.091 8.677 -0.586 19713 344 1 2 . 1 1 12 12 VAL N N 12 122.396 122.396 119.373 3.023 19713 345 1 2 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.763 -0.128 19713 346 1 2 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.650 -0.118 19713 347 1 2 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.066 0.696 19713 348 1 2 . 1 1 12 12 VAL H H 12 7.235 7.235 7.815 -0.580 19713 349 1 2 . 1 1 13 13 ALA N N 13 119.674 119.674 121.695 -2.021 19713 350 1 2 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.068 -0.944 19713 351 1 2 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.652 -0.937 19713 352 1 2 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.017 0.740 19713 353 1 2 . 1 1 13 13 ALA H H 13 6.857 6.857 7.809 -0.952 19713 354 1 2 . 1 1 14 14 GLN N N 14 115.202 115.202 119.278 -4.076 19713 355 1 2 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.031 -0.348 19713 356 1 2 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.335 -0.547 19713 357 1 2 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.185 0.222 19713 358 1 2 . 1 1 14 14 GLN H H 14 7.800 7.800 8.442 -0.642 19713 359 1 2 . 1 1 15 15 ALA N N 15 121.416 121.416 122.202 -0.786 19713 360 1 2 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.024 0.273 19713 361 1 2 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.047 -0.057 19713 362 1 2 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.968 -0.233 19713 363 1 2 . 1 1 15 15 ALA H H 15 7.882 7.882 8.030 -0.148 19713 364 1 2 . 1 1 16 16 PHE N N 16 120.765 120.765 118.627 2.138 19713 365 1 2 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.449 -0.837 19713 366 1 2 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.665 -1.524 19713 367 1 2 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.351 -0.693 19713 368 1 2 . 1 1 16 16 PHE H H 16 8.150 8.150 8.612 -0.462 19713 369 1 2 . 1 1 17 17 VAL N N 17 120.622 120.622 115.168 5.454 19713 370 1 2 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.553 -0.342 19713 371 1 2 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.251 1.384 19713 372 1 2 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.346 0.157 19713 373 1 2 . 1 1 17 17 VAL H H 17 8.193 8.193 8.235 -0.042 19713 374 1 2 . 1 1 18 18 ASP N N 18 123.142 123.142 121.940 1.202 19713 375 1 2 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.349 0.044 19713 376 1 2 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.947 -0.398 19713 377 1 2 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.271 -1.449 19713 378 1 2 . 1 1 18 18 ASP H H 18 9.093 9.093 8.193 0.900 19713 379 1 2 . 1 1 19 19 TYR N N 19 122.100 122.100 118.583 3.517 19713 380 1 2 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.339 0.050 19713 381 1 2 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.188 0.606 19713 382 1 2 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.995 -0.008 19713 383 1 2 . 1 1 19 19 TYR H H 19 8.142 8.142 8.100 0.042 19713 384 1 2 . 1 1 20 20 MET N N 20 119.265 119.265 116.225 3.040 19713 385 1 2 . 1 1 20 20 MET HA H 20 3.987 3.987 3.842 0.145 19713 386 1 2 . 1 1 20 20 MET CA C 20 56.147 56.147 56.936 -0.789 19713 387 1 2 . 1 1 20 20 MET CB C 20 28.818 28.818 32.343 -3.525 19713 388 1 2 . 1 1 20 20 MET H H 20 8.421 8.421 7.413 1.008 19713 389 1 2 . 1 1 21 21 ALA N N 21 124.076 124.076 122.572 1.504 19713 390 1 2 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.226 -0.131 19713 391 1 2 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.848 0.692 19713 392 1 2 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.310 -0.994 19713 393 1 2 . 1 1 21 21 ALA H H 21 8.107 8.107 7.991 0.116 19713 394 1 2 . 1 1 22 22 THR N N 22 111.538 111.538 112.193 -0.655 19713 395 1 2 . 1 1 22 22 THR HA H 22 4.236 4.236 4.108 0.128 19713 396 1 2 . 1 1 22 22 THR CA C 22 64.631 64.631 64.512 0.119 19713 397 1 2 . 1 1 22 22 THR CB C 22 69.311 69.311 68.729 0.582 19713 398 1 2 . 1 1 22 22 THR H H 22 7.590 7.590 7.849 -0.259 19713 399 1 2 . 1 1 23 23 GLN N N 23 118.055 118.055 118.298 -0.243 19713 400 1 2 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.358 0.003 19713 401 1 2 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.673 -1.940 19713 402 1 2 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.162 -0.315 19713 403 1 2 . 1 1 23 23 GLN H H 23 7.219 7.219 7.466 -0.247 19713 404 1 2 . 1 1 24 24 GLY N N 24 106.367 106.367 107.693 -1.326 19713 405 1 2 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.103 0.381 19713 406 1 2 . 1 1 24 24 GLY H H 24 7.641 7.641 7.871 -0.230 19713 407 1 2 . 1 1 25 25 VAL N N 25 120.869 120.869 121.016 -0.147 19713 408 1 2 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.304 -0.042 19713 409 1 2 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.999 -0.119 19713 410 1 2 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.041 0.789 19713 411 1 2 . 1 1 25 25 VAL H H 25 7.664 7.664 8.046 -0.382 19713 412 1 2 . 1 1 26 26 ILE N N 26 128.372 128.372 128.050 0.322 19713 413 1 2 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.138 -0.215 19713 414 1 2 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.249 -0.254 19713 415 1 2 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.515 -0.579 19713 416 1 2 . 1 1 26 26 ILE H H 26 9.003 9.003 8.465 0.538 19713 417 1 2 . 1 1 27 27 LEU N N 27 130.068 130.068 126.317 3.751 19713 418 1 2 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.756 0.458 19713 419 1 2 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.462 -0.438 19713 420 1 2 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.480 0.324 19713 421 1 2 . 1 1 27 27 LEU H H 27 8.291 8.291 8.373 -0.082 19713 422 1 2 . 1 1 28 28 THR N N 28 111.171 111.171 115.449 -4.278 19713 423 1 2 . 1 1 28 28 THR HA H 28 4.763 4.763 4.535 0.228 19713 424 1 2 . 1 1 28 28 THR CA C 28 60.132 60.132 61.403 -1.271 19713 425 1 2 . 1 1 28 28 THR CB C 28 71.760 71.760 70.473 1.287 19713 426 1 2 . 1 1 28 28 THR H H 28 8.948 8.948 8.231 0.717 19713 427 1 2 . 1 1 29 29 ILE N N 29 121.390 121.390 121.906 -0.516 19713 428 1 2 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.431 0.879 19713 429 1 2 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.275 -0.367 19713 430 1 2 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.487 1.281 19713 431 1 2 . 1 1 29 29 ILE H H 29 8.713 8.713 8.423 0.290 19713 432 1 2 . 1 1 30 30 GLN N N 30 127.776 127.776 124.363 3.413 19713 433 1 2 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.559 0.213 19713 434 1 2 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.241 -0.612 19713 435 1 2 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.593 1.716 19713 436 1 2 . 1 1 30 30 GLN H H 30 9.518 9.518 8.489 1.029 19713 437 1 2 . 1 1 31 31 GLN N N 31 125.893 125.893 123.710 2.183 19713 438 1 2 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.445 0.818 19713 439 1 2 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.584 -0.574 19713 440 1 2 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.473 0.923 19713 441 1 2 . 1 1 31 31 GLN H H 31 9.029 9.029 8.614 0.415 19713 442 1 2 . 1 1 32 32 HIS N N 32 121.451 121.451 121.101 0.350 19713 443 1 2 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.811 0.155 19713 444 1 2 . 1 1 32 32 HIS CA C 32 54.514 54.514 54.903 -0.389 19713 445 1 2 . 1 1 32 32 HIS CB C 32 30.661 30.661 29.835 0.825 19713 446 1 2 . 1 1 32 32 HIS H H 32 8.912 8.912 8.197 0.715 19713 447 1 2 . 1 1 33 33 ASN N N 33 121.954 121.954 121.556 0.398 19713 448 1 2 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.679 0.521 19713 449 1 2 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.212 -0.107 19713 450 1 2 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.004 1.444 19713 451 1 2 . 1 1 33 33 ASN H H 33 8.940 8.940 8.685 0.255 19713 452 1 2 . 1 1 34 34 GLN N N 34 123.175 123.175 120.557 2.618 19713 453 1 2 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.636 -0.017 19713 454 1 2 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.303 0.279 19713 455 1 2 . 1 1 34 34 GLN CB C 34 32.175 32.175 30.912 1.263 19713 456 1 2 . 1 1 34 34 GLN H H 34 8.648 8.648 8.398 0.250 19713 457 1 2 . 1 1 35 35 SER N N 35 118.568 118.568 116.205 2.363 19713 458 1 2 . 1 1 35 35 SER HA H 35 4.784 4.784 4.593 0.191 19713 459 1 2 . 1 1 35 35 SER CA C 35 57.693 57.693 58.060 -0.367 19713 460 1 2 . 1 1 35 35 SER CB C 35 64.218 64.218 64.191 0.027 19713 461 1 2 . 1 1 35 35 SER H H 35 8.744 8.744 8.178 0.566 19713 462 1 2 . 1 1 36 36 ASP N N 36 127.988 127.988 125.197 2.791 19713 463 1 2 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.786 0.201 19713 464 1 2 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.915 0.217 19713 465 1 2 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.743 0.161 19713 466 1 2 . 1 1 36 36 ASP H H 36 8.909 8.909 8.587 0.322 19713 467 1 2 . 1 1 37 37 VAL N N 37 122.751 122.751 124.662 -1.911 19713 468 1 2 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.395 0.582 19713 469 1 2 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.703 0.118 19713 470 1 2 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.187 0.912 19713 471 1 2 . 1 1 37 37 VAL H H 37 8.691 8.691 8.458 0.233 19713 472 1 2 . 1 1 38 38 TRP N N 38 128.913 128.913 127.745 1.168 19713 473 1 2 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.016 0.066 19713 474 1 2 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.376 1.397 19713 475 1 2 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.464 2.744 19713 476 1 2 . 1 1 38 38 TRP H H 38 9.644 9.644 7.784 1.860 19713 477 1 2 . 1 1 39 39 LEU N N 39 122.523 122.523 121.917 0.606 19713 478 1 2 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.676 0.175 19713 479 1 2 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.010 -1.603 19713 480 1 2 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.528 2.370 19713 481 1 2 . 1 1 39 39 LEU H H 39 9.378 9.378 8.346 1.032 19713 482 1 2 . 1 1 40 40 ALA N N 40 129.759 129.759 125.568 4.191 19713 483 1 2 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.424 0.154 19713 484 1 2 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.665 1.626 19713 485 1 2 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.171 -0.135 19713 486 1 2 . 1 1 40 40 ALA H H 40 8.806 8.806 8.452 0.354 19713 487 1 2 . 1 1 41 41 ASP N N 41 115.611 115.611 119.668 -4.057 19713 488 1 2 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.632 0.193 19713 489 1 2 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.375 -1.358 19713 490 1 2 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.753 -1.136 19713 491 1 2 . 1 1 41 41 ASP H H 41 7.774 7.774 8.386 -0.612 19713 492 1 2 . 1 1 42 42 GLU N N 42 123.031 123.031 124.165 -1.134 19713 493 1 2 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.948 -0.314 19713 494 1 2 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.512 0.177 19713 495 1 2 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.671 -1.038 19713 496 1 2 . 1 1 42 42 GLU H H 42 8.508 8.508 8.255 0.253 19713 497 1 2 . 1 1 43 43 SER N N 43 116.358 116.358 114.371 1.987 19713 498 1 2 . 1 1 43 43 SER HA H 43 4.373 4.373 4.168 0.205 19713 499 1 2 . 1 1 43 43 SER CA C 43 61.171 61.171 61.308 -0.137 19713 500 1 2 . 1 1 43 43 SER CB C 43 62.526 62.526 62.879 -0.353 19713 501 1 2 . 1 1 43 43 SER H H 43 8.325 8.325 8.091 0.234 19713 502 1 2 . 1 1 44 44 GLN N N 44 118.846 118.846 119.018 -0.172 19713 503 1 2 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.418 0.244 19713 504 1 2 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.394 -1.921 19713 505 1 2 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.475 -0.340 19713 506 1 2 . 1 1 44 44 GLN H H 44 7.741 7.741 7.928 -0.187 19713 507 1 2 . 1 1 45 45 ALA N N 45 122.785 122.785 123.165 -0.380 19713 508 1 2 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.963 -0.413 19713 509 1 2 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.239 1.724 19713 510 1 2 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.152 0.645 19713 511 1 2 . 1 1 45 45 ALA H H 45 7.567 7.567 7.879 -0.312 19713 512 1 2 . 1 1 46 46 GLU N N 46 116.794 116.794 118.252 -1.458 19713 513 1 2 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.962 0.070 19713 514 1 2 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.824 -0.004 19713 515 1 2 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.155 -0.467 19713 516 1 2 . 1 1 46 46 GLU H H 46 8.686 8.686 8.009 0.677 19713 517 1 2 . 1 1 47 47 ARG N N 47 122.101 122.101 120.440 1.661 19713 518 1 2 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.041 0.204 19713 519 1 2 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.051 -0.238 19713 520 1 2 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.013 0.053 19713 521 1 2 . 1 1 47 47 ARG H H 47 8.042 8.042 8.032 0.010 19713 522 1 2 . 1 1 48 48 VAL N N 48 118.395 118.395 116.828 1.567 19713 523 1 2 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.671 -0.021 19713 524 1 2 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.584 1.378 19713 525 1 2 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.406 0.848 19713 526 1 2 . 1 1 48 48 VAL H H 48 8.466 8.466 8.104 0.362 19713 527 1 2 . 1 1 49 49 ARG N N 49 119.126 119.126 120.980 -1.854 19713 528 1 2 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.920 -0.049 19713 529 1 2 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.846 0.910 19713 530 1 2 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.865 -0.306 19713 531 1 2 . 1 1 49 49 ARG H H 49 8.604 8.604 7.991 0.613 19713 532 1 2 . 1 1 50 50 ALA N N 50 123.287 123.287 121.811 1.476 19713 533 1 2 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.051 0.223 19713 534 1 2 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.226 -0.104 19713 535 1 2 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.007 0.001 19713 536 1 2 . 1 1 50 50 ALA H H 50 8.081 8.081 8.030 0.051 19713 537 1 2 . 1 1 51 51 GLU N N 51 118.576 118.576 118.476 0.100 19713 538 1 2 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.973 0.476 19713 539 1 2 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.716 -0.375 19713 540 1 2 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.083 1.035 19713 541 1 2 . 1 1 51 51 GLU H H 51 8.386 8.386 7.964 0.422 19713 542 1 2 . 1 1 52 52 LEU N N 52 122.397 122.397 120.620 1.777 19713 543 1 2 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.993 -0.055 19713 544 1 2 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.271 -0.526 19713 545 1 2 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.723 -0.480 19713 546 1 2 . 1 1 52 52 LEU H H 52 8.976 8.976 8.392 0.584 19713 547 1 2 . 1 1 53 53 ALA N N 53 119.025 119.025 120.671 -1.646 19713 548 1 2 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.937 0.117 19713 549 1 2 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.204 -0.110 19713 550 1 2 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.134 -0.537 19713 551 1 2 . 1 1 53 53 ALA H H 53 7.418 7.418 8.114 -0.696 19713 552 1 2 . 1 1 54 54 ARG N N 54 116.311 116.311 116.939 -0.628 19713 553 1 2 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.321 -0.185 19713 554 1 2 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.401 0.285 19713 555 1 2 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.418 0.022 19713 556 1 2 . 1 1 54 54 ARG H H 54 7.316 7.316 7.946 -0.630 19713 557 1 2 . 1 1 55 55 PHE N N 55 122.048 122.048 120.781 1.267 19713 558 1 2 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.422 -0.389 19713 559 1 2 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.576 1.210 19713 560 1 2 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.836 0.220 19713 561 1 2 . 1 1 55 55 PHE H H 55 8.729 8.729 7.875 0.854 19713 562 1 2 . 1 1 56 56 LEU N N 56 116.538 116.538 120.939 -4.401 19713 563 1 2 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.918 0.125 19713 564 1 2 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.788 -2.071 19713 565 1 2 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.853 0.182 19713 566 1 2 . 1 1 56 56 LEU H H 56 8.133 8.133 8.880 -0.747 19713 567 1 2 . 1 1 57 57 GLU N N 57 118.454 118.454 116.634 1.820 19713 568 1 2 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.168 -0.064 19713 569 1 2 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.806 0.748 19713 570 1 2 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.672 0.354 19713 571 1 2 . 1 1 57 57 GLU H H 57 7.479 7.479 7.940 -0.461 19713 572 1 2 . 1 1 58 58 ASN N N 58 116.134 116.134 119.808 -3.674 19713 573 1 2 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.990 -0.084 19713 574 1 2 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.416 0.748 19713 575 1 2 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.895 -0.084 19713 576 1 2 . 1 1 58 58 ASN H H 58 7.722 7.722 7.807 -0.085 19713 577 1 2 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.306 -0.215 19713 578 1 2 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.330 0.553 19713 579 1 2 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.677 1.179 19713 580 1 2 . 1 1 60 60 ALA N N 60 123.290 123.290 127.456 -4.166 19713 581 1 2 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.362 -0.166 19713 582 1 2 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.812 0.065 19713 583 1 2 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.395 -1.497 19713 584 1 2 . 1 1 60 60 ALA H H 60 7.995 7.995 7.896 0.099 19713 585 1 2 . 1 1 61 61 ASP N N 61 118.409 118.409 119.173 -0.764 19713 586 1 2 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.556 0.019 19713 587 1 2 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.835 -1.561 19713 588 1 2 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.864 -0.977 19713 589 1 2 . 1 1 61 61 ASP H H 61 7.985 7.985 8.174 -0.189 19713 590 1 2 . 1 1 62 62 LEU N N 62 121.754 121.754 117.823 3.931 19713 591 1 2 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.195 -0.025 19713 592 1 2 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.840 -1.167 19713 593 1 2 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.554 0.438 19713 594 1 2 . 1 1 62 62 LEU H H 62 7.921 7.921 8.210 -0.289 19713 595 1 3 . 1 1 2 2 LEU N N 2 123.873 123.873 125.265 -1.392 19713 596 1 3 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.781 0.059 19713 597 1 3 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.751 -1.052 19713 598 1 3 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.554 2.989 19713 599 1 3 . 1 1 2 2 LEU H H 2 8.977 8.977 8.383 0.594 19713 600 1 3 . 1 1 3 3 MET N N 3 128.873 128.873 123.959 4.914 19713 601 1 3 . 1 1 3 3 MET HA H 3 3.402 3.402 4.373 -0.971 19713 602 1 3 . 1 1 3 3 MET CA C 3 55.648 55.648 55.932 -0.284 19713 603 1 3 . 1 1 3 3 MET CB C 3 31.068 31.068 32.641 -1.573 19713 604 1 3 . 1 1 3 3 MET H H 3 8.669 8.669 8.451 0.218 19713 605 1 3 . 1 1 4 4 ILE N N 4 127.600 127.600 123.247 4.353 19713 606 1 3 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.051 -0.128 19713 607 1 3 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.041 -2.377 19713 608 1 3 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.846 0.028 19713 609 1 3 . 1 1 4 4 ILE H H 4 8.843 8.843 8.478 0.365 19713 610 1 3 . 1 1 5 5 THR N N 5 109.859 109.859 110.724 -0.865 19713 611 1 3 . 1 1 5 5 THR HA H 5 4.232 4.232 4.208 0.024 19713 612 1 3 . 1 1 5 5 THR CA C 5 60.044 60.044 61.254 -1.210 19713 613 1 3 . 1 1 5 5 THR CB C 5 98.915 98.915 68.848 30.067 19713 614 1 3 . 1 1 5 5 THR H H 5 7.255 7.255 7.612 -0.357 19713 615 1 3 . 1 1 6 6 SER N N 6 116.037 116.037 116.538 -0.501 19713 616 1 3 . 1 1 6 6 SER HA H 6 5.353 5.353 4.560 0.793 19713 617 1 3 . 1 1 6 6 SER CA C 6 56.774 56.774 57.827 -1.053 19713 618 1 3 . 1 1 6 6 SER CB C 6 64.813 64.813 63.941 0.872 19713 619 1 3 . 1 1 6 6 SER H H 6 7.717 7.717 7.975 -0.258 19713 620 1 3 . 1 1 7 7 PHE N N 7 121.810 121.810 123.875 -2.065 19713 621 1 3 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.622 0.289 19713 622 1 3 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.771 -0.008 19713 623 1 3 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.315 3.108 19713 624 1 3 . 1 1 7 7 PHE H H 7 8.928 8.928 8.139 0.789 19713 625 1 3 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.504 0.091 19713 626 1 3 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.977 1.601 19713 627 1 3 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.249 -0.199 19713 628 1 3 . 1 1 9 9 ASN N N 9 116.543 116.543 117.278 -0.735 19713 629 1 3 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.990 0.260 19713 630 1 3 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.804 -2.132 19713 631 1 3 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.570 -0.812 19713 632 1 3 . 1 1 9 9 ASN H H 9 8.133 8.133 7.958 0.175 19713 633 1 3 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.441 -0.103 19713 634 1 3 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.203 -0.625 19713 635 1 3 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.182 0.173 19713 636 1 3 . 1 1 11 11 ARG N N 11 118.730 118.730 119.602 -0.872 19713 637 1 3 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.038 0.116 19713 638 1 3 . 1 1 11 11 ARG CA C 11 58.851 58.851 58.575 0.276 19713 639 1 3 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.152 0.451 19713 640 1 3 . 1 1 11 11 ARG H H 11 8.091 8.091 8.666 -0.575 19713 641 1 3 . 1 1 12 12 VAL N N 12 122.396 122.396 117.973 4.423 19713 642 1 3 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.599 0.036 19713 643 1 3 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.720 -0.188 19713 644 1 3 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.015 0.747 19713 645 1 3 . 1 1 12 12 VAL H H 12 7.235 7.235 7.941 -0.706 19713 646 1 3 . 1 1 13 13 ALA N N 13 119.674 119.674 122.214 -2.540 19713 647 1 3 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.994 -0.870 19713 648 1 3 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.657 -0.942 19713 649 1 3 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.006 0.751 19713 650 1 3 . 1 1 13 13 ALA H H 13 6.857 6.857 7.583 -0.726 19713 651 1 3 . 1 1 14 14 GLN N N 14 115.202 115.202 119.291 -4.089 19713 652 1 3 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.015 -0.332 19713 653 1 3 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.279 -0.491 19713 654 1 3 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.213 0.194 19713 655 1 3 . 1 1 14 14 GLN H H 14 7.800 7.800 8.239 -0.439 19713 656 1 3 . 1 1 15 15 ALA N N 15 121.416 121.416 122.436 -1.020 19713 657 1 3 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.000 0.297 19713 658 1 3 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.080 -0.090 19713 659 1 3 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.944 -0.208 19713 660 1 3 . 1 1 15 15 ALA H H 15 7.882 7.882 8.159 -0.277 19713 661 1 3 . 1 1 16 16 PHE N N 16 120.765 120.765 118.229 2.536 19713 662 1 3 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.428 -0.816 19713 663 1 3 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.697 -1.556 19713 664 1 3 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.166 -0.508 19713 665 1 3 . 1 1 16 16 PHE H H 16 8.150 8.150 8.620 -0.470 19713 666 1 3 . 1 1 17 17 VAL N N 17 120.622 120.622 117.808 2.814 19713 667 1 3 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.506 -0.295 19713 668 1 3 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.955 0.680 19713 669 1 3 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.396 0.107 19713 670 1 3 . 1 1 17 17 VAL H H 17 8.193 8.193 8.272 -0.079 19713 671 1 3 . 1 1 18 18 ASP N N 18 123.142 123.142 122.026 1.116 19713 672 1 3 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.380 0.013 19713 673 1 3 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.985 -0.436 19713 674 1 3 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.150 -1.328 19713 675 1 3 . 1 1 18 18 ASP H H 18 9.093 9.093 8.111 0.982 19713 676 1 3 . 1 1 19 19 TYR N N 19 122.100 122.100 118.594 3.506 19713 677 1 3 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.332 0.057 19713 678 1 3 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.237 0.557 19713 679 1 3 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.994 -0.007 19713 680 1 3 . 1 1 19 19 TYR H H 19 8.142 8.142 8.058 0.084 19713 681 1 3 . 1 1 20 20 MET N N 20 119.265 119.265 116.428 2.837 19713 682 1 3 . 1 1 20 20 MET HA H 20 3.987 3.987 3.795 0.192 19713 683 1 3 . 1 1 20 20 MET CA C 20 56.147 56.147 56.796 -0.649 19713 684 1 3 . 1 1 20 20 MET CB C 20 28.818 28.818 32.254 -3.436 19713 685 1 3 . 1 1 20 20 MET H H 20 8.421 8.421 7.421 1.000 19713 686 1 3 . 1 1 21 21 ALA N N 21 124.076 124.076 121.959 2.117 19713 687 1 3 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.263 -0.168 19713 688 1 3 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.801 0.739 19713 689 1 3 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.300 -0.984 19713 690 1 3 . 1 1 21 21 ALA H H 21 8.107 8.107 7.953 0.154 19713 691 1 3 . 1 1 22 22 THR N N 22 111.538 111.538 112.855 -1.317 19713 692 1 3 . 1 1 22 22 THR HA H 22 4.236 4.236 4.127 0.109 19713 693 1 3 . 1 1 22 22 THR CA C 22 64.631 64.631 64.600 0.031 19713 694 1 3 . 1 1 22 22 THR CB C 22 69.311 69.311 68.838 0.473 19713 695 1 3 . 1 1 22 22 THR H H 22 7.590 7.590 7.885 -0.295 19713 696 1 3 . 1 1 23 23 GLN N N 23 118.055 118.055 118.458 -0.403 19713 697 1 3 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.390 -0.029 19713 698 1 3 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.434 -1.701 19713 699 1 3 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.257 -0.410 19713 700 1 3 . 1 1 23 23 GLN H H 23 7.219 7.219 7.416 -0.197 19713 701 1 3 . 1 1 24 24 GLY N N 24 106.367 106.367 107.256 -0.889 19713 702 1 3 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.127 0.357 19713 703 1 3 . 1 1 24 24 GLY H H 24 7.641 7.641 7.935 -0.294 19713 704 1 3 . 1 1 25 25 VAL N N 25 120.869 120.869 122.007 -1.138 19713 705 1 3 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.284 -0.022 19713 706 1 3 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.408 -0.528 19713 707 1 3 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.160 1.670 19713 708 1 3 . 1 1 25 25 VAL H H 25 7.664 7.664 7.897 -0.233 19713 709 1 3 . 1 1 26 26 ILE N N 26 128.372 128.372 128.290 0.082 19713 710 1 3 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.103 -0.180 19713 711 1 3 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.182 -0.187 19713 712 1 3 . 1 1 26 26 ILE CB C 26 36.936 36.936 36.898 0.038 19713 713 1 3 . 1 1 26 26 ILE H H 26 9.003 9.003 8.484 0.519 19713 714 1 3 . 1 1 27 27 LEU N N 27 130.068 130.068 127.336 2.732 19713 715 1 3 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.662 0.552 19713 716 1 3 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.350 -0.327 19713 717 1 3 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.081 0.723 19713 718 1 3 . 1 1 27 27 LEU H H 27 8.291 8.291 8.494 -0.203 19713 719 1 3 . 1 1 28 28 THR N N 28 111.171 111.171 115.518 -4.347 19713 720 1 3 . 1 1 28 28 THR HA H 28 4.763 4.763 4.523 0.240 19713 721 1 3 . 1 1 28 28 THR CA C 28 60.132 60.132 61.325 -1.193 19713 722 1 3 . 1 1 28 28 THR CB C 28 71.760 71.760 70.797 0.963 19713 723 1 3 . 1 1 28 28 THR H H 28 8.948 8.948 8.258 0.690 19713 724 1 3 . 1 1 29 29 ILE N N 29 121.390 121.390 121.666 -0.276 19713 725 1 3 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.435 0.875 19713 726 1 3 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.204 -0.296 19713 727 1 3 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.796 0.972 19713 728 1 3 . 1 1 29 29 ILE H H 29 8.713 8.713 8.364 0.349 19713 729 1 3 . 1 1 30 30 GLN N N 30 127.776 127.776 123.987 3.789 19713 730 1 3 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.571 0.201 19713 731 1 3 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.257 -0.628 19713 732 1 3 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.689 1.620 19713 733 1 3 . 1 1 30 30 GLN H H 30 9.518 9.518 8.529 0.989 19713 734 1 3 . 1 1 31 31 GLN N N 31 125.893 125.893 123.496 2.397 19713 735 1 3 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.510 0.753 19713 736 1 3 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.531 -0.521 19713 737 1 3 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.070 1.326 19713 738 1 3 . 1 1 31 31 GLN H H 31 9.029 9.029 8.693 0.336 19713 739 1 3 . 1 1 32 32 HIS N N 32 121.451 121.451 123.877 -2.426 19713 740 1 3 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.337 0.629 19713 741 1 3 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.815 -2.300 19713 742 1 3 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.698 -0.037 19713 743 1 3 . 1 1 32 32 HIS H H 32 8.912 8.912 8.632 0.280 19713 744 1 3 . 1 1 33 33 ASN N N 33 121.954 121.954 116.682 5.272 19713 745 1 3 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.785 0.415 19713 746 1 3 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.234 -0.128 19713 747 1 3 . 1 1 33 33 ASN CB C 33 40.448 40.448 38.934 1.514 19713 748 1 3 . 1 1 33 33 ASN H H 33 8.940 8.940 8.512 0.428 19713 749 1 3 . 1 1 34 34 GLN N N 34 123.175 123.175 121.104 2.071 19713 750 1 3 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.634 -0.015 19713 751 1 3 . 1 1 34 34 GLN CA C 34 55.582 55.582 54.762 0.820 19713 752 1 3 . 1 1 34 34 GLN CB C 34 32.175 32.175 28.832 3.343 19713 753 1 3 . 1 1 34 34 GLN H H 34 8.648 8.648 8.333 0.315 19713 754 1 3 . 1 1 35 35 SER N N 35 118.568 118.568 121.545 -2.977 19713 755 1 3 . 1 1 35 35 SER HA H 35 4.784 4.784 4.511 0.273 19713 756 1 3 . 1 1 35 35 SER CA C 35 57.693 57.693 58.343 -0.650 19713 757 1 3 . 1 1 35 35 SER CB C 35 64.218 64.218 63.373 0.845 19713 758 1 3 . 1 1 35 35 SER H H 35 8.744 8.744 8.710 0.034 19713 759 1 3 . 1 1 36 36 ASP N N 36 127.988 127.988 126.894 1.094 19713 760 1 3 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.827 0.160 19713 761 1 3 . 1 1 36 36 ASP CA C 36 54.132 54.132 54.066 0.066 19713 762 1 3 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.791 0.113 19713 763 1 3 . 1 1 36 36 ASP H H 36 8.909 8.909 8.424 0.485 19713 764 1 3 . 1 1 37 37 VAL N N 37 122.751 122.751 122.767 -0.016 19713 765 1 3 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.419 0.558 19713 766 1 3 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.848 -0.027 19713 767 1 3 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.887 1.212 19713 768 1 3 . 1 1 37 37 VAL H H 37 8.691 8.691 8.529 0.162 19713 769 1 3 . 1 1 38 38 TRP N N 38 128.913 128.913 127.742 1.171 19713 770 1 3 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.053 0.029 19713 771 1 3 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.639 1.134 19713 772 1 3 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.536 2.672 19713 773 1 3 . 1 1 38 38 TRP H H 38 9.644 9.644 7.790 1.854 19713 774 1 3 . 1 1 39 39 LEU N N 39 122.523 122.523 121.515 1.008 19713 775 1 3 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.667 0.184 19713 776 1 3 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.123 -1.716 19713 777 1 3 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.612 2.286 19713 778 1 3 . 1 1 39 39 LEU H H 39 9.378 9.378 8.349 1.029 19713 779 1 3 . 1 1 40 40 ALA N N 40 129.759 129.759 125.689 4.070 19713 780 1 3 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.428 0.150 19713 781 1 3 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.702 1.589 19713 782 1 3 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.119 -0.083 19713 783 1 3 . 1 1 40 40 ALA H H 40 8.806 8.806 8.447 0.359 19713 784 1 3 . 1 1 41 41 ASP N N 41 115.611 115.611 119.354 -3.743 19713 785 1 3 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.635 0.190 19713 786 1 3 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.077 -1.060 19713 787 1 3 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.513 -0.896 19713 788 1 3 . 1 1 41 41 ASP H H 41 7.774 7.774 8.365 -0.591 19713 789 1 3 . 1 1 42 42 GLU N N 42 123.031 123.031 124.866 -1.835 19713 790 1 3 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.958 -0.324 19713 791 1 3 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.531 0.158 19713 792 1 3 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.692 -1.059 19713 793 1 3 . 1 1 42 42 GLU H H 42 8.508 8.508 8.320 0.188 19713 794 1 3 . 1 1 43 43 SER N N 43 116.358 116.358 114.690 1.668 19713 795 1 3 . 1 1 43 43 SER HA H 43 4.373 4.373 4.154 0.219 19713 796 1 3 . 1 1 43 43 SER CA C 43 61.171 61.171 61.229 -0.058 19713 797 1 3 . 1 1 43 43 SER CB C 43 62.526 62.526 62.988 -0.462 19713 798 1 3 . 1 1 43 43 SER H H 43 8.325 8.325 8.004 0.321 19713 799 1 3 . 1 1 44 44 GLN N N 44 118.846 118.846 118.706 0.140 19713 800 1 3 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.428 0.234 19713 801 1 3 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.285 -1.812 19713 802 1 3 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.455 -0.320 19713 803 1 3 . 1 1 44 44 GLN H H 44 7.741 7.741 8.006 -0.265 19713 804 1 3 . 1 1 45 45 ALA N N 45 122.785 122.785 123.437 -0.652 19713 805 1 3 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.967 -0.417 19713 806 1 3 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.239 1.724 19713 807 1 3 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.114 0.683 19713 808 1 3 . 1 1 45 45 ALA H H 45 7.567 7.567 7.898 -0.331 19713 809 1 3 . 1 1 46 46 GLU N N 46 116.794 116.794 118.159 -1.365 19713 810 1 3 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.964 0.068 19713 811 1 3 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.621 0.199 19713 812 1 3 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.197 -0.509 19713 813 1 3 . 1 1 46 46 GLU H H 46 8.686 8.686 7.977 0.709 19713 814 1 3 . 1 1 47 47 ARG N N 47 122.101 122.101 120.491 1.610 19713 815 1 3 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.052 0.193 19713 816 1 3 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.029 -0.216 19713 817 1 3 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.987 0.079 19713 818 1 3 . 1 1 47 47 ARG H H 47 8.042 8.042 8.005 0.037 19713 819 1 3 . 1 1 48 48 VAL N N 48 118.395 118.395 116.255 2.140 19713 820 1 3 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.590 0.060 19713 821 1 3 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.087 0.875 19713 822 1 3 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.025 0.229 19713 823 1 3 . 1 1 48 48 VAL H H 48 8.466 8.466 8.175 0.291 19713 824 1 3 . 1 1 49 49 ARG N N 49 119.126 119.126 120.598 -1.472 19713 825 1 3 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.924 -0.053 19713 826 1 3 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.735 1.021 19713 827 1 3 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.856 -0.297 19713 828 1 3 . 1 1 49 49 ARG H H 49 8.604 8.604 8.016 0.588 19713 829 1 3 . 1 1 50 50 ALA N N 50 123.287 123.287 121.916 1.371 19713 830 1 3 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.065 0.209 19713 831 1 3 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.191 -0.069 19713 832 1 3 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.020 -0.012 19713 833 1 3 . 1 1 50 50 ALA H H 50 8.081 8.081 8.013 0.068 19713 834 1 3 . 1 1 51 51 GLU N N 51 118.576 118.576 118.563 0.013 19713 835 1 3 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.969 0.480 19713 836 1 3 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.758 -0.416 19713 837 1 3 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.093 1.024 19713 838 1 3 . 1 1 51 51 GLU H H 51 8.386 8.386 7.938 0.448 19713 839 1 3 . 1 1 52 52 LEU N N 52 122.397 122.397 120.516 1.881 19713 840 1 3 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.020 -0.082 19713 841 1 3 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.181 -0.436 19713 842 1 3 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.731 -0.488 19713 843 1 3 . 1 1 52 52 LEU H H 52 8.976 8.976 8.484 0.492 19713 844 1 3 . 1 1 53 53 ALA N N 53 119.025 119.025 120.741 -1.716 19713 845 1 3 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.984 0.070 19713 846 1 3 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.141 -0.046 19713 847 1 3 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.145 -0.548 19713 848 1 3 . 1 1 53 53 ALA H H 53 7.418 7.418 8.163 -0.745 19713 849 1 3 . 1 1 54 54 ARG N N 54 116.311 116.311 117.633 -1.322 19713 850 1 3 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.405 -0.269 19713 851 1 3 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.220 0.466 19713 852 1 3 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.380 0.060 19713 853 1 3 . 1 1 54 54 ARG H H 54 7.316 7.316 7.756 -0.440 19713 854 1 3 . 1 1 55 55 PHE N N 55 122.048 122.048 120.736 1.312 19713 855 1 3 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.413 -0.380 19713 856 1 3 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.914 0.872 19713 857 1 3 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.803 0.253 19713 858 1 3 . 1 1 55 55 PHE H H 55 8.729 8.729 8.051 0.678 19713 859 1 3 . 1 1 56 56 LEU N N 56 116.538 116.538 120.611 -4.073 19713 860 1 3 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.955 0.088 19713 861 1 3 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.784 -2.067 19713 862 1 3 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.862 0.173 19713 863 1 3 . 1 1 56 56 LEU H H 56 8.133 8.133 8.837 -0.704 19713 864 1 3 . 1 1 57 57 GLU N N 57 118.454 118.454 117.215 1.239 19713 865 1 3 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.166 -0.062 19713 866 1 3 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.911 0.643 19713 867 1 3 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.682 0.344 19713 868 1 3 . 1 1 57 57 GLU H H 57 7.479 7.479 7.984 -0.505 19713 869 1 3 . 1 1 58 58 ASN N N 58 116.134 116.134 119.507 -3.373 19713 870 1 3 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.001 -0.095 19713 871 1 3 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.316 0.848 19713 872 1 3 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.938 -0.127 19713 873 1 3 . 1 1 58 58 ASN H H 58 7.722 7.722 7.790 -0.068 19713 874 1 3 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.322 -0.232 19713 875 1 3 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.395 0.488 19713 876 1 3 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.575 1.281 19713 877 1 3 . 1 1 60 60 ALA N N 60 123.290 123.290 126.860 -3.570 19713 878 1 3 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.343 -0.147 19713 879 1 3 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.649 0.228 19713 880 1 3 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.514 -1.616 19713 881 1 3 . 1 1 60 60 ALA H H 60 7.995 7.995 7.965 0.030 19713 882 1 3 . 1 1 61 61 ASP N N 61 118.409 118.409 119.531 -1.122 19713 883 1 3 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.610 -0.035 19713 884 1 3 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.345 -1.071 19713 885 1 3 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.926 -1.039 19713 886 1 3 . 1 1 61 61 ASP H H 61 7.985 7.985 8.001 -0.016 19713 887 1 3 . 1 1 62 62 LEU N N 62 121.754 121.754 117.414 4.340 19713 888 1 3 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.211 -0.041 19713 889 1 3 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.615 -0.942 19713 890 1 3 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.423 0.569 19713 891 1 3 . 1 1 62 62 LEU H H 62 7.921 7.921 8.048 -0.127 19713 892 1 4 . 1 1 2 2 LEU N N 2 123.873 123.873 125.412 -1.539 19713 893 1 4 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.794 0.046 19713 894 1 4 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.801 -1.102 19713 895 1 4 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.493 3.050 19713 896 1 4 . 1 1 2 2 LEU H H 2 8.977 8.977 8.423 0.554 19713 897 1 4 . 1 1 3 3 MET N N 3 128.873 128.873 124.321 4.552 19713 898 1 4 . 1 1 3 3 MET HA H 3 3.402 3.402 4.433 -1.031 19713 899 1 4 . 1 1 3 3 MET CA C 3 55.648 55.648 55.859 -0.211 19713 900 1 4 . 1 1 3 3 MET CB C 3 31.068 31.068 32.693 -1.625 19713 901 1 4 . 1 1 3 3 MET H H 3 8.669 8.669 8.490 0.179 19713 902 1 4 . 1 1 4 4 ILE N N 4 127.600 127.600 123.293 4.307 19713 903 1 4 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.108 -0.185 19713 904 1 4 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.962 -2.298 19713 905 1 4 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.919 -0.045 19713 906 1 4 . 1 1 4 4 ILE H H 4 8.843 8.843 8.548 0.295 19713 907 1 4 . 1 1 5 5 THR N N 5 109.859 109.859 110.435 -0.576 19713 908 1 4 . 1 1 5 5 THR HA H 5 4.232 4.232 4.293 -0.061 19713 909 1 4 . 1 1 5 5 THR CA C 5 60.044 60.044 61.611 -1.567 19713 910 1 4 . 1 1 5 5 THR CB C 5 98.915 98.915 69.397 29.518 19713 911 1 4 . 1 1 5 5 THR H H 5 7.255 7.255 7.697 -0.442 19713 912 1 4 . 1 1 6 6 SER N N 6 116.037 116.037 116.363 -0.326 19713 913 1 4 . 1 1 6 6 SER HA H 6 5.353 5.353 4.777 0.576 19713 914 1 4 . 1 1 6 6 SER CA C 6 56.774 56.774 57.855 -1.081 19713 915 1 4 . 1 1 6 6 SER CB C 6 64.813 64.813 64.758 0.055 19713 916 1 4 . 1 1 6 6 SER H H 6 7.717 7.717 7.994 -0.277 19713 917 1 4 . 1 1 7 7 PHE N N 7 121.810 121.810 120.847 0.963 19713 918 1 4 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.592 0.319 19713 919 1 4 . 1 1 7 7 PHE CA C 7 56.763 56.763 57.491 -0.728 19713 920 1 4 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.713 2.710 19713 921 1 4 . 1 1 7 7 PHE H H 7 8.928 8.928 8.164 0.764 19713 922 1 4 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.532 0.063 19713 923 1 4 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.959 1.619 19713 924 1 4 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.262 -0.212 19713 925 1 4 . 1 1 9 9 ASN N N 9 116.543 116.543 117.300 -0.757 19713 926 1 4 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.012 0.238 19713 927 1 4 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.591 -1.919 19713 928 1 4 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.607 -0.849 19713 929 1 4 . 1 1 9 9 ASN H H 9 8.133 8.133 7.984 0.149 19713 930 1 4 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.408 -0.070 19713 931 1 4 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.142 -0.564 19713 932 1 4 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.061 0.294 19713 933 1 4 . 1 1 11 11 ARG N N 11 118.730 118.730 119.395 -0.665 19713 934 1 4 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.056 0.098 19713 935 1 4 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.141 -0.290 19713 936 1 4 . 1 1 11 11 ARG CB C 11 29.603 29.603 28.661 0.942 19713 937 1 4 . 1 1 11 11 ARG H H 11 8.091 8.091 8.741 -0.650 19713 938 1 4 . 1 1 12 12 VAL N N 12 122.396 122.396 120.135 2.261 19713 939 1 4 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.697 -0.062 19713 940 1 4 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.259 0.273 19713 941 1 4 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.234 0.528 19713 942 1 4 . 1 1 12 12 VAL H H 12 7.235 7.235 7.853 -0.618 19713 943 1 4 . 1 1 13 13 ALA N N 13 119.674 119.674 121.483 -1.809 19713 944 1 4 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.429 -0.305 19713 945 1 4 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.269 -0.554 19713 946 1 4 . 1 1 13 13 ALA CB C 13 18.757 18.757 17.807 0.950 19713 947 1 4 . 1 1 13 13 ALA H H 13 6.857 6.857 7.548 -0.691 19713 948 1 4 . 1 1 14 14 GLN N N 14 115.202 115.202 119.128 -3.926 19713 949 1 4 . 1 1 14 14 GLN HA H 14 3.683 3.683 3.952 -0.269 19713 950 1 4 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.230 -0.442 19713 951 1 4 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.155 0.252 19713 952 1 4 . 1 1 14 14 GLN H H 14 7.800 7.800 8.262 -0.462 19713 953 1 4 . 1 1 15 15 ALA N N 15 121.416 121.416 122.170 -0.754 19713 954 1 4 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.998 0.299 19713 955 1 4 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.007 -0.016 19713 956 1 4 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.952 -0.216 19713 957 1 4 . 1 1 15 15 ALA H H 15 7.882 7.882 7.890 -0.008 19713 958 1 4 . 1 1 16 16 PHE N N 16 120.765 120.765 118.433 2.332 19713 959 1 4 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.370 -0.758 19713 960 1 4 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.715 -1.574 19713 961 1 4 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.036 -0.378 19713 962 1 4 . 1 1 16 16 PHE H H 16 8.150 8.150 8.436 -0.286 19713 963 1 4 . 1 1 17 17 VAL N N 17 120.622 120.622 115.061 5.561 19713 964 1 4 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.510 -0.299 19713 965 1 4 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.974 1.661 19713 966 1 4 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.407 0.096 19713 967 1 4 . 1 1 17 17 VAL H H 17 8.193 8.193 8.104 0.089 19713 968 1 4 . 1 1 18 18 ASP N N 18 123.142 123.142 121.951 1.191 19713 969 1 4 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.309 0.084 19713 970 1 4 . 1 1 18 18 ASP CA C 18 57.549 57.549 58.033 -0.484 19713 971 1 4 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.265 -1.443 19713 972 1 4 . 1 1 18 18 ASP H H 18 9.093 9.093 8.037 1.056 19713 973 1 4 . 1 1 19 19 TYR N N 19 122.100 122.100 118.260 3.840 19713 974 1 4 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.248 0.141 19713 975 1 4 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.100 0.694 19713 976 1 4 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.924 0.063 19713 977 1 4 . 1 1 19 19 TYR H H 19 8.142 8.142 8.000 0.142 19713 978 1 4 . 1 1 20 20 MET N N 20 119.265 119.265 118.274 0.991 19713 979 1 4 . 1 1 20 20 MET HA H 20 3.987 3.987 3.894 0.093 19713 980 1 4 . 1 1 20 20 MET CA C 20 56.147 56.147 56.950 -0.803 19713 981 1 4 . 1 1 20 20 MET CB C 20 28.818 28.818 32.376 -3.558 19713 982 1 4 . 1 1 20 20 MET H H 20 8.421 8.421 7.417 1.004 19713 983 1 4 . 1 1 21 21 ALA N N 21 124.076 124.076 120.821 3.255 19713 984 1 4 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.284 -0.189 19713 985 1 4 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.704 0.836 19713 986 1 4 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.177 -0.861 19713 987 1 4 . 1 1 21 21 ALA H H 21 8.107 8.107 7.676 0.431 19713 988 1 4 . 1 1 22 22 THR N N 22 111.538 111.538 112.657 -1.119 19713 989 1 4 . 1 1 22 22 THR HA H 22 4.236 4.236 4.109 0.127 19713 990 1 4 . 1 1 22 22 THR CA C 22 64.631 64.631 64.800 -0.169 19713 991 1 4 . 1 1 22 22 THR CB C 22 69.311 69.311 68.808 0.503 19713 992 1 4 . 1 1 22 22 THR H H 22 7.590 7.590 7.888 -0.298 19713 993 1 4 . 1 1 23 23 GLN N N 23 118.055 118.055 118.551 -0.496 19713 994 1 4 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.383 -0.022 19713 995 1 4 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.613 -1.880 19713 996 1 4 . 1 1 23 23 GLN CB C 23 28.847 28.847 28.842 0.005 19713 997 1 4 . 1 1 23 23 GLN H H 23 7.219 7.219 7.869 -0.650 19713 998 1 4 . 1 1 24 24 GLY N N 24 106.367 106.367 107.131 -0.764 19713 999 1 4 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.106 0.378 19713 1000 1 4 . 1 1 24 24 GLY H H 24 7.641 7.641 7.802 -0.161 19713 1001 1 4 . 1 1 25 25 VAL N N 25 120.869 120.869 122.227 -1.358 19713 1002 1 4 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.285 -0.023 19713 1003 1 4 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.547 -0.667 19713 1004 1 4 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.106 1.724 19713 1005 1 4 . 1 1 25 25 VAL H H 25 7.664 7.664 7.892 -0.228 19713 1006 1 4 . 1 1 26 26 ILE N N 26 128.372 128.372 128.059 0.313 19713 1007 1 4 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.082 -0.159 19713 1008 1 4 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.188 -0.193 19713 1009 1 4 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.232 -0.296 19713 1010 1 4 . 1 1 26 26 ILE H H 26 9.003 9.003 8.383 0.620 19713 1011 1 4 . 1 1 27 27 LEU N N 27 130.068 130.068 126.183 3.885 19713 1012 1 4 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.673 0.541 19713 1013 1 4 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.193 -0.170 19713 1014 1 4 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.281 0.523 19713 1015 1 4 . 1 1 27 27 LEU H H 27 8.291 8.291 8.347 -0.056 19713 1016 1 4 . 1 1 28 28 THR N N 28 111.171 111.171 116.003 -4.832 19713 1017 1 4 . 1 1 28 28 THR HA H 28 4.763 4.763 4.517 0.246 19713 1018 1 4 . 1 1 28 28 THR CA C 28 60.132 60.132 61.444 -1.312 19713 1019 1 4 . 1 1 28 28 THR CB C 28 71.760 71.760 70.368 1.392 19713 1020 1 4 . 1 1 28 28 THR H H 28 8.948 8.948 8.249 0.699 19713 1021 1 4 . 1 1 29 29 ILE N N 29 121.390 121.390 122.547 -1.157 19713 1022 1 4 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.420 0.890 19713 1023 1 4 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.241 -0.333 19713 1024 1 4 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.160 1.608 19713 1025 1 4 . 1 1 29 29 ILE H H 29 8.713 8.713 8.429 0.284 19713 1026 1 4 . 1 1 30 30 GLN N N 30 127.776 127.776 124.305 3.471 19713 1027 1 4 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.556 0.216 19713 1028 1 4 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.186 -0.557 19713 1029 1 4 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.713 1.596 19713 1030 1 4 . 1 1 30 30 GLN H H 30 9.518 9.518 8.508 1.010 19713 1031 1 4 . 1 1 31 31 GLN N N 31 125.893 125.893 122.632 3.261 19713 1032 1 4 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.427 0.836 19713 1033 1 4 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.517 -0.507 19713 1034 1 4 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.599 0.797 19713 1035 1 4 . 1 1 31 31 GLN H H 31 9.029 9.029 8.566 0.463 19713 1036 1 4 . 1 1 32 32 HIS N N 32 121.451 121.451 123.143 -1.692 19713 1037 1 4 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.780 0.186 19713 1038 1 4 . 1 1 32 32 HIS CA C 32 54.514 54.514 55.475 -0.961 19713 1039 1 4 . 1 1 32 32 HIS CB C 32 30.661 30.661 31.152 -0.491 19713 1040 1 4 . 1 1 32 32 HIS H H 32 8.912 8.912 8.481 0.431 19713 1041 1 4 . 1 1 33 33 ASN N N 33 121.954 121.954 118.530 3.424 19713 1042 1 4 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.777 0.423 19713 1043 1 4 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.026 0.079 19713 1044 1 4 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.178 0.270 19713 1045 1 4 . 1 1 33 33 ASN H H 33 8.940 8.940 8.890 0.050 19713 1046 1 4 . 1 1 34 34 GLN N N 34 123.175 123.175 121.562 1.613 19713 1047 1 4 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.949 -0.330 19713 1048 1 4 . 1 1 34 34 GLN CA C 34 55.582 55.582 54.878 0.704 19713 1049 1 4 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.880 0.295 19713 1050 1 4 . 1 1 34 34 GLN H H 34 8.648 8.648 8.631 0.017 19713 1051 1 4 . 1 1 35 35 SER N N 35 118.568 118.568 116.563 2.005 19713 1052 1 4 . 1 1 35 35 SER HA H 35 4.784 4.784 4.609 0.175 19713 1053 1 4 . 1 1 35 35 SER CA C 35 57.693 57.693 58.122 -0.429 19713 1054 1 4 . 1 1 35 35 SER CB C 35 64.218 64.218 64.118 0.100 19713 1055 1 4 . 1 1 35 35 SER H H 35 8.744 8.744 8.357 0.387 19713 1056 1 4 . 1 1 36 36 ASP N N 36 127.988 127.988 124.991 2.997 19713 1057 1 4 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.823 0.164 19713 1058 1 4 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.950 0.182 19713 1059 1 4 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.815 0.089 19713 1060 1 4 . 1 1 36 36 ASP H H 36 8.909 8.909 8.571 0.338 19713 1061 1 4 . 1 1 37 37 VAL N N 37 122.751 122.751 123.404 -0.653 19713 1062 1 4 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.431 0.546 19713 1063 1 4 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.719 0.101 19713 1064 1 4 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.303 0.796 19713 1065 1 4 . 1 1 37 37 VAL H H 37 8.691 8.691 8.456 0.235 19713 1066 1 4 . 1 1 38 38 TRP N N 38 128.913 128.913 127.067 1.846 19713 1067 1 4 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.026 0.056 19713 1068 1 4 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.252 1.520 19713 1069 1 4 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.406 2.802 19713 1070 1 4 . 1 1 38 38 TRP H H 38 9.644 9.644 7.842 1.802 19713 1071 1 4 . 1 1 39 39 LEU N N 39 122.523 122.523 122.198 0.325 19713 1072 1 4 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.665 0.186 19713 1073 1 4 . 1 1 39 39 LEU CA C 39 53.407 53.407 54.951 -1.544 19713 1074 1 4 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.443 2.455 19713 1075 1 4 . 1 1 39 39 LEU H H 39 9.378 9.378 8.356 1.022 19713 1076 1 4 . 1 1 40 40 ALA N N 40 129.759 129.759 125.431 4.328 19713 1077 1 4 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.417 0.161 19713 1078 1 4 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.656 1.635 19713 1079 1 4 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.164 -0.128 19713 1080 1 4 . 1 1 40 40 ALA H H 40 8.806 8.806 8.427 0.379 19713 1081 1 4 . 1 1 41 41 ASP N N 41 115.611 115.611 119.476 -3.865 19713 1082 1 4 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.647 0.178 19713 1083 1 4 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.436 -1.419 19713 1084 1 4 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.838 -1.221 19713 1085 1 4 . 1 1 41 41 ASP H H 41 7.774 7.774 8.367 -0.593 19713 1086 1 4 . 1 1 42 42 GLU N N 42 123.031 123.031 125.318 -2.287 19713 1087 1 4 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.929 -0.295 19713 1088 1 4 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.700 -0.011 19713 1089 1 4 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.681 -1.048 19713 1090 1 4 . 1 1 42 42 GLU H H 42 8.508 8.508 8.417 0.091 19713 1091 1 4 . 1 1 43 43 SER N N 43 116.358 116.358 116.016 0.342 19713 1092 1 4 . 1 1 43 43 SER HA H 43 4.373 4.373 4.163 0.210 19713 1093 1 4 . 1 1 43 43 SER CA C 43 61.171 61.171 61.134 0.037 19713 1094 1 4 . 1 1 43 43 SER CB C 43 62.526 62.526 62.890 -0.364 19713 1095 1 4 . 1 1 43 43 SER H H 43 8.325 8.325 8.079 0.246 19713 1096 1 4 . 1 1 44 44 GLN N N 44 118.846 118.846 119.007 -0.161 19713 1097 1 4 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.384 0.278 19713 1098 1 4 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.408 -1.935 19713 1099 1 4 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.561 -0.426 19713 1100 1 4 . 1 1 44 44 GLN H H 44 7.741 7.741 7.929 -0.188 19713 1101 1 4 . 1 1 45 45 ALA N N 45 122.785 122.785 123.603 -0.818 19713 1102 1 4 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.986 -0.436 19713 1103 1 4 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.281 1.682 19713 1104 1 4 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.003 0.794 19713 1105 1 4 . 1 1 45 45 ALA H H 45 7.567 7.567 7.874 -0.307 19713 1106 1 4 . 1 1 46 46 GLU N N 46 116.794 116.794 117.866 -1.072 19713 1107 1 4 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.999 0.033 19713 1108 1 4 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.940 -0.120 19713 1109 1 4 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.285 -0.597 19713 1110 1 4 . 1 1 46 46 GLU H H 46 8.686 8.686 7.959 0.727 19713 1111 1 4 . 1 1 47 47 ARG N N 47 122.101 122.101 120.294 1.807 19713 1112 1 4 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.081 0.164 19713 1113 1 4 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.112 -0.299 19713 1114 1 4 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.988 0.077 19713 1115 1 4 . 1 1 47 47 ARG H H 47 8.042 8.042 8.073 -0.031 19713 1116 1 4 . 1 1 48 48 VAL N N 48 118.395 118.395 116.490 1.905 19713 1117 1 4 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.588 0.062 19713 1118 1 4 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.317 0.645 19713 1119 1 4 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.284 -0.030 19713 1120 1 4 . 1 1 48 48 VAL H H 48 8.466 8.466 8.141 0.325 19713 1121 1 4 . 1 1 49 49 ARG N N 49 119.126 119.126 120.399 -1.273 19713 1122 1 4 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.920 -0.049 19713 1123 1 4 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.794 0.962 19713 1124 1 4 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.872 -0.313 19713 1125 1 4 . 1 1 49 49 ARG H H 49 8.604 8.604 7.921 0.683 19713 1126 1 4 . 1 1 50 50 ALA N N 50 123.287 123.287 121.869 1.418 19713 1127 1 4 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.062 0.212 19713 1128 1 4 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.218 -0.096 19713 1129 1 4 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.009 -0.001 19713 1130 1 4 . 1 1 50 50 ALA H H 50 8.081 8.081 8.032 0.049 19713 1131 1 4 . 1 1 51 51 GLU N N 51 118.576 118.576 118.627 -0.051 19713 1132 1 4 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.980 0.469 19713 1133 1 4 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.773 -0.432 19713 1134 1 4 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.109 1.009 19713 1135 1 4 . 1 1 51 51 GLU H H 51 8.386 8.386 7.957 0.429 19713 1136 1 4 . 1 1 52 52 LEU N N 52 122.397 122.397 120.544 1.853 19713 1137 1 4 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.967 -0.029 19713 1138 1 4 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.370 -0.625 19713 1139 1 4 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.705 -0.462 19713 1140 1 4 . 1 1 52 52 LEU H H 52 8.976 8.976 8.320 0.656 19713 1141 1 4 . 1 1 53 53 ALA N N 53 119.025 119.025 120.980 -1.955 19713 1142 1 4 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.951 0.103 19713 1143 1 4 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.268 -0.174 19713 1144 1 4 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.092 -0.495 19713 1145 1 4 . 1 1 53 53 ALA H H 53 7.418 7.418 8.146 -0.728 19713 1146 1 4 . 1 1 54 54 ARG N N 54 116.311 116.311 117.830 -1.519 19713 1147 1 4 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.312 -0.176 19713 1148 1 4 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.588 0.098 19713 1149 1 4 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.287 0.153 19713 1150 1 4 . 1 1 54 54 ARG H H 54 7.316 7.316 7.867 -0.551 19713 1151 1 4 . 1 1 55 55 PHE N N 55 122.048 122.048 120.066 1.982 19713 1152 1 4 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.437 -0.404 19713 1153 1 4 . 1 1 55 55 PHE CA C 55 60.786 60.786 60.386 0.400 19713 1154 1 4 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.669 0.387 19713 1155 1 4 . 1 1 55 55 PHE H H 55 8.729 8.729 7.888 0.841 19713 1156 1 4 . 1 1 56 56 LEU N N 56 116.538 116.538 120.765 -4.227 19713 1157 1 4 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.972 0.071 19713 1158 1 4 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.742 -2.025 19713 1159 1 4 . 1 1 56 56 LEU CB C 56 42.035 42.035 42.043 -0.008 19713 1160 1 4 . 1 1 56 56 LEU H H 56 8.133 8.133 8.821 -0.688 19713 1161 1 4 . 1 1 57 57 GLU N N 57 118.454 118.454 117.043 1.411 19713 1162 1 4 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.177 -0.073 19713 1163 1 4 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.859 0.695 19713 1164 1 4 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.802 0.223 19713 1165 1 4 . 1 1 57 57 GLU H H 57 7.479 7.479 7.927 -0.448 19713 1166 1 4 . 1 1 58 58 ASN N N 58 116.134 116.134 119.854 -3.720 19713 1167 1 4 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.033 -0.127 19713 1168 1 4 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.282 0.882 19713 1169 1 4 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.300 0.511 19713 1170 1 4 . 1 1 58 58 ASN H H 58 7.722 7.722 7.940 -0.218 19713 1171 1 4 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.383 -0.293 19713 1172 1 4 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.407 0.476 19713 1173 1 4 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.133 1.723 19713 1174 1 4 . 1 1 60 60 ALA N N 60 123.290 123.290 126.120 -2.830 19713 1175 1 4 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.312 -0.116 19713 1176 1 4 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.583 0.294 19713 1177 1 4 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.221 -1.323 19713 1178 1 4 . 1 1 60 60 ALA H H 60 7.995 7.995 8.141 -0.146 19713 1179 1 4 . 1 1 61 61 ASP N N 61 118.409 118.409 119.641 -1.232 19713 1180 1 4 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.554 0.021 19713 1181 1 4 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.538 -1.264 19713 1182 1 4 . 1 1 61 61 ASP CB C 61 40.887 40.887 42.412 -1.525 19713 1183 1 4 . 1 1 61 61 ASP H H 61 7.985 7.985 7.758 0.227 19713 1184 1 4 . 1 1 62 62 LEU N N 62 121.754 121.754 120.654 1.100 19713 1185 1 4 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.282 -0.112 19713 1186 1 4 . 1 1 62 62 LEU CA C 62 55.673 55.673 55.852 -0.179 19713 1187 1 4 . 1 1 62 62 LEU CB C 62 41.992 41.992 40.725 1.267 19713 1188 1 4 . 1 1 62 62 LEU H H 62 7.921 7.921 7.795 0.126 19713 1189 1 5 . 1 1 2 2 LEU N N 2 123.873 123.873 125.555 -1.682 19713 1190 1 5 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.755 0.085 19713 1191 1 5 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.812 -1.113 19713 1192 1 5 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.607 2.936 19713 1193 1 5 . 1 1 2 2 LEU H H 2 8.977 8.977 8.452 0.525 19713 1194 1 5 . 1 1 3 3 MET N N 3 128.873 128.873 124.257 4.616 19713 1195 1 5 . 1 1 3 3 MET HA H 3 3.402 3.402 4.370 -0.968 19713 1196 1 5 . 1 1 3 3 MET CA C 3 55.648 55.648 55.666 -0.018 19713 1197 1 5 . 1 1 3 3 MET CB C 3 31.068 31.068 32.589 -1.521 19713 1198 1 5 . 1 1 3 3 MET H H 3 8.669 8.669 8.536 0.133 19713 1199 1 5 . 1 1 4 4 ILE N N 4 127.600 127.600 123.855 3.745 19713 1200 1 5 . 1 1 4 4 ILE HA H 4 3.923 3.923 3.962 -0.039 19713 1201 1 5 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.972 -2.308 19713 1202 1 5 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.773 0.101 19713 1203 1 5 . 1 1 4 4 ILE H H 4 8.843 8.843 8.514 0.329 19713 1204 1 5 . 1 1 5 5 THR N N 5 109.859 109.859 109.980 -0.121 19713 1205 1 5 . 1 1 5 5 THR HA H 5 4.232 4.232 4.207 0.025 19713 1206 1 5 . 1 1 5 5 THR CA C 5 60.044 60.044 61.450 -1.406 19713 1207 1 5 . 1 1 5 5 THR CB C 5 98.915 98.915 69.339 29.576 19713 1208 1 5 . 1 1 5 5 THR H H 5 7.255 7.255 7.493 -0.238 19713 1209 1 5 . 1 1 6 6 SER N N 6 116.037 116.037 115.998 0.039 19713 1210 1 5 . 1 1 6 6 SER HA H 6 5.353 5.353 4.455 0.898 19713 1211 1 5 . 1 1 6 6 SER CA C 6 56.774 56.774 57.700 -0.926 19713 1212 1 5 . 1 1 6 6 SER CB C 6 64.813 64.813 64.125 0.688 19713 1213 1 5 . 1 1 6 6 SER H H 6 7.717 7.717 7.964 -0.247 19713 1214 1 5 . 1 1 7 7 PHE N N 7 121.810 121.810 122.204 -0.394 19713 1215 1 5 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.626 0.285 19713 1216 1 5 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.552 0.211 19713 1217 1 5 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.752 2.671 19713 1218 1 5 . 1 1 7 7 PHE H H 7 8.928 8.928 8.076 0.852 19713 1219 1 5 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.500 0.095 19713 1220 1 5 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.009 1.569 19713 1221 1 5 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.093 -0.043 19713 1222 1 5 . 1 1 9 9 ASN N N 9 116.543 116.543 117.346 -0.803 19713 1223 1 5 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.910 0.340 19713 1224 1 5 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.245 -2.573 19713 1225 1 5 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.349 -0.591 19713 1226 1 5 . 1 1 9 9 ASN H H 9 8.133 8.133 7.972 0.161 19713 1227 1 5 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.437 -0.099 19713 1228 1 5 . 1 1 10 10 PRO CA C 10 64.578 64.578 64.944 -0.366 19713 1229 1 5 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.110 0.245 19713 1230 1 5 . 1 1 11 11 ARG N N 11 118.730 118.730 119.653 -0.923 19713 1231 1 5 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.093 0.061 19713 1232 1 5 . 1 1 11 11 ARG CA C 11 58.851 58.851 58.641 0.210 19713 1233 1 5 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.132 0.471 19713 1234 1 5 . 1 1 11 11 ARG H H 11 8.091 8.091 8.741 -0.650 19713 1235 1 5 . 1 1 12 12 VAL N N 12 122.396 122.396 118.727 3.669 19713 1236 1 5 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.660 -0.025 19713 1237 1 5 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.772 -0.240 19713 1238 1 5 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.253 0.509 19713 1239 1 5 . 1 1 12 12 VAL H H 12 7.235 7.235 7.868 -0.633 19713 1240 1 5 . 1 1 13 13 ALA N N 13 119.674 119.674 121.526 -1.852 19713 1241 1 5 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.069 -0.945 19713 1242 1 5 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.623 -0.908 19713 1243 1 5 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.002 0.755 19713 1244 1 5 . 1 1 13 13 ALA H H 13 6.857 6.857 7.734 -0.877 19713 1245 1 5 . 1 1 14 14 GLN N N 14 115.202 115.202 119.233 -4.031 19713 1246 1 5 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.027 -0.344 19713 1247 1 5 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.308 -0.520 19713 1248 1 5 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.203 0.204 19713 1249 1 5 . 1 1 14 14 GLN H H 14 7.800 7.800 8.446 -0.646 19713 1250 1 5 . 1 1 15 15 ALA N N 15 121.416 121.416 122.033 -0.617 19713 1251 1 5 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.003 0.294 19713 1252 1 5 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.087 -0.097 19713 1253 1 5 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.201 -0.465 19713 1254 1 5 . 1 1 15 15 ALA H H 15 7.882 7.882 7.971 -0.089 19713 1255 1 5 . 1 1 16 16 PHE N N 16 120.765 120.765 118.429 2.336 19713 1256 1 5 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.410 -0.798 19713 1257 1 5 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.856 -1.715 19713 1258 1 5 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.290 -0.632 19713 1259 1 5 . 1 1 16 16 PHE H H 16 8.150 8.150 8.545 -0.395 19713 1260 1 5 . 1 1 17 17 VAL N N 17 120.622 120.622 115.012 5.610 19713 1261 1 5 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.547 -0.336 19713 1262 1 5 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.581 2.054 19713 1263 1 5 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.294 0.209 19713 1264 1 5 . 1 1 17 17 VAL H H 17 8.193 8.193 8.219 -0.026 19713 1265 1 5 . 1 1 18 18 ASP N N 18 123.142 123.142 122.763 0.379 19713 1266 1 5 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.367 0.026 19713 1267 1 5 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.251 0.298 19713 1268 1 5 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.908 -1.086 19713 1269 1 5 . 1 1 18 18 ASP H H 18 9.093 9.093 8.223 0.870 19713 1270 1 5 . 1 1 19 19 TYR N N 19 122.100 122.100 118.449 3.651 19713 1271 1 5 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.272 0.117 19713 1272 1 5 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.123 0.671 19713 1273 1 5 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.855 0.132 19713 1274 1 5 . 1 1 19 19 TYR H H 19 8.142 8.142 8.052 0.090 19713 1275 1 5 . 1 1 20 20 MET N N 20 119.265 119.265 118.398 0.867 19713 1276 1 5 . 1 1 20 20 MET HA H 20 3.987 3.987 3.894 0.093 19713 1277 1 5 . 1 1 20 20 MET CA C 20 56.147 56.147 57.007 -0.860 19713 1278 1 5 . 1 1 20 20 MET CB C 20 28.818 28.818 32.353 -3.535 19713 1279 1 5 . 1 1 20 20 MET H H 20 8.421 8.421 7.394 1.027 19713 1280 1 5 . 1 1 21 21 ALA N N 21 124.076 124.076 121.081 2.995 19713 1281 1 5 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.256 -0.162 19713 1282 1 5 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.758 0.782 19713 1283 1 5 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.245 -0.930 19713 1284 1 5 . 1 1 21 21 ALA H H 21 8.107 8.107 7.776 0.331 19713 1285 1 5 . 1 1 22 22 THR N N 22 111.538 111.538 111.919 -0.381 19713 1286 1 5 . 1 1 22 22 THR HA H 22 4.236 4.236 4.101 0.135 19713 1287 1 5 . 1 1 22 22 THR CA C 22 64.631 64.631 64.704 -0.073 19713 1288 1 5 . 1 1 22 22 THR CB C 22 69.311 69.311 68.576 0.735 19713 1289 1 5 . 1 1 22 22 THR H H 22 7.590 7.590 7.844 -0.254 19713 1290 1 5 . 1 1 23 23 GLN N N 23 118.055 118.055 118.268 -0.213 19713 1291 1 5 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.374 -0.013 19713 1292 1 5 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.729 -1.996 19713 1293 1 5 . 1 1 23 23 GLN CB C 23 28.847 28.847 28.806 0.041 19713 1294 1 5 . 1 1 23 23 GLN H H 23 7.219 7.219 7.874 -0.655 19713 1295 1 5 . 1 1 24 24 GLY N N 24 106.367 106.367 107.075 -0.708 19713 1296 1 5 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.108 0.376 19713 1297 1 5 . 1 1 24 24 GLY H H 24 7.641 7.641 7.802 -0.161 19713 1298 1 5 . 1 1 25 25 VAL N N 25 120.869 120.869 122.338 -1.469 19713 1299 1 5 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.295 -0.033 19713 1300 1 5 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.501 -0.621 19713 1301 1 5 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.054 1.776 19713 1302 1 5 . 1 1 25 25 VAL H H 25 7.664 7.664 7.925 -0.261 19713 1303 1 5 . 1 1 26 26 ILE N N 26 128.372 128.372 128.150 0.222 19713 1304 1 5 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.132 -0.209 19713 1305 1 5 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.351 -0.356 19713 1306 1 5 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.527 -0.591 19713 1307 1 5 . 1 1 26 26 ILE H H 26 9.003 9.003 8.549 0.454 19713 1308 1 5 . 1 1 27 27 LEU N N 27 130.068 130.068 126.501 3.567 19713 1309 1 5 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.699 0.515 19713 1310 1 5 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.936 -0.913 19713 1311 1 5 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.178 0.626 19713 1312 1 5 . 1 1 27 27 LEU H H 27 8.291 8.291 8.288 0.003 19713 1313 1 5 . 1 1 28 28 THR N N 28 111.171 111.171 115.554 -4.383 19713 1314 1 5 . 1 1 28 28 THR HA H 28 4.763 4.763 4.564 0.199 19713 1315 1 5 . 1 1 28 28 THR CA C 28 60.132 60.132 61.586 -1.454 19713 1316 1 5 . 1 1 28 28 THR CB C 28 71.760 71.760 70.275 1.485 19713 1317 1 5 . 1 1 28 28 THR H H 28 8.948 8.948 8.201 0.747 19713 1318 1 5 . 1 1 29 29 ILE N N 29 121.390 121.390 122.106 -0.716 19713 1319 1 5 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.396 0.914 19713 1320 1 5 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.326 -0.418 19713 1321 1 5 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.603 1.165 19713 1322 1 5 . 1 1 29 29 ILE H H 29 8.713 8.713 8.393 0.320 19713 1323 1 5 . 1 1 30 30 GLN N N 30 127.776 127.776 124.281 3.495 19713 1324 1 5 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.562 0.210 19713 1325 1 5 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.230 -0.601 19713 1326 1 5 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.706 1.603 19713 1327 1 5 . 1 1 30 30 GLN H H 30 9.518 9.518 8.520 0.998 19713 1328 1 5 . 1 1 31 31 GLN N N 31 125.893 125.893 123.014 2.879 19713 1329 1 5 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.464 0.799 19713 1330 1 5 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.559 -0.549 19713 1331 1 5 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.369 1.027 19713 1332 1 5 . 1 1 31 31 GLN H H 31 9.029 9.029 8.629 0.400 19713 1333 1 5 . 1 1 32 32 HIS N N 32 121.451 121.451 123.509 -2.058 19713 1334 1 5 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.422 0.544 19713 1335 1 5 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.297 -1.783 19713 1336 1 5 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.744 -0.083 19713 1337 1 5 . 1 1 32 32 HIS H H 32 8.912 8.912 8.620 0.292 19713 1338 1 5 . 1 1 33 33 ASN N N 33 121.954 121.954 117.982 3.972 19713 1339 1 5 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.855 0.345 19713 1340 1 5 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.859 0.247 19713 1341 1 5 . 1 1 33 33 ASN CB C 33 40.448 40.448 41.000 -0.552 19713 1342 1 5 . 1 1 33 33 ASN H H 33 8.940 8.940 8.763 0.177 19713 1343 1 5 . 1 1 34 34 GLN N N 34 123.175 123.175 121.284 1.891 19713 1344 1 5 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.847 -0.228 19713 1345 1 5 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.117 0.466 19713 1346 1 5 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.727 0.448 19713 1347 1 5 . 1 1 34 34 GLN H H 34 8.648 8.648 8.792 -0.144 19713 1348 1 5 . 1 1 35 35 SER N N 35 118.568 118.568 116.336 2.232 19713 1349 1 5 . 1 1 35 35 SER HA H 35 4.784 4.784 4.662 0.122 19713 1350 1 5 . 1 1 35 35 SER CA C 35 57.693 57.693 58.018 -0.325 19713 1351 1 5 . 1 1 35 35 SER CB C 35 64.218 64.218 64.184 0.034 19713 1352 1 5 . 1 1 35 35 SER H H 35 8.744 8.744 8.249 0.495 19713 1353 1 5 . 1 1 36 36 ASP N N 36 127.988 127.988 125.193 2.795 19713 1354 1 5 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.898 0.089 19713 1355 1 5 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.922 0.210 19713 1356 1 5 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.963 -0.059 19713 1357 1 5 . 1 1 36 36 ASP H H 36 8.909 8.909 8.590 0.319 19713 1358 1 5 . 1 1 37 37 VAL N N 37 122.751 122.751 122.946 -0.195 19713 1359 1 5 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.398 0.579 19713 1360 1 5 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.716 0.105 19713 1361 1 5 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.227 0.872 19713 1362 1 5 . 1 1 37 37 VAL H H 37 8.691 8.691 8.476 0.215 19713 1363 1 5 . 1 1 38 38 TRP N N 38 128.913 128.913 127.775 1.138 19713 1364 1 5 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.038 0.044 19713 1365 1 5 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.599 1.174 19713 1366 1 5 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.630 2.578 19713 1367 1 5 . 1 1 38 38 TRP H H 38 9.644 9.644 7.800 1.844 19713 1368 1 5 . 1 1 39 39 LEU N N 39 122.523 122.523 121.753 0.770 19713 1369 1 5 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.668 0.183 19713 1370 1 5 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.078 -1.671 19713 1371 1 5 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.572 2.325 19713 1372 1 5 . 1 1 39 39 LEU H H 39 9.378 9.378 8.338 1.040 19713 1373 1 5 . 1 1 40 40 ALA N N 40 129.759 129.759 125.569 4.190 19713 1374 1 5 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.369 0.209 19713 1375 1 5 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.446 1.845 19713 1376 1 5 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.015 0.021 19713 1377 1 5 . 1 1 40 40 ALA H H 40 8.806 8.806 8.247 0.559 19713 1378 1 5 . 1 1 41 41 ASP N N 41 115.611 115.611 119.399 -3.788 19713 1379 1 5 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.646 0.179 19713 1380 1 5 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.485 -1.468 19713 1381 1 5 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.676 -1.059 19713 1382 1 5 . 1 1 41 41 ASP H H 41 7.774 7.774 8.410 -0.636 19713 1383 1 5 . 1 1 42 42 GLU N N 42 123.031 123.031 124.839 -1.808 19713 1384 1 5 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.957 -0.323 19713 1385 1 5 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.553 0.136 19713 1386 1 5 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.695 -1.062 19713 1387 1 5 . 1 1 42 42 GLU H H 42 8.508 8.508 8.316 0.192 19713 1388 1 5 . 1 1 43 43 SER N N 43 116.358 116.358 114.276 2.082 19713 1389 1 5 . 1 1 43 43 SER HA H 43 4.373 4.373 4.182 0.191 19713 1390 1 5 . 1 1 43 43 SER CA C 43 61.171 61.171 61.373 -0.202 19713 1391 1 5 . 1 1 43 43 SER CB C 43 62.526 62.526 62.659 -0.133 19713 1392 1 5 . 1 1 43 43 SER H H 43 8.325 8.325 8.213 0.112 19713 1393 1 5 . 1 1 44 44 GLN N N 44 118.846 118.846 119.059 -0.213 19713 1394 1 5 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.438 0.224 19713 1395 1 5 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.367 -1.894 19713 1396 1 5 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.536 -0.401 19713 1397 1 5 . 1 1 44 44 GLN H H 44 7.741 7.741 8.050 -0.309 19713 1398 1 5 . 1 1 45 45 ALA N N 45 122.785 122.785 123.343 -0.558 19713 1399 1 5 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.967 -0.417 19713 1400 1 5 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.240 1.723 19713 1401 1 5 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.094 0.703 19713 1402 1 5 . 1 1 45 45 ALA H H 45 7.567 7.567 7.923 -0.356 19713 1403 1 5 . 1 1 46 46 GLU N N 46 116.794 116.794 118.072 -1.278 19713 1404 1 5 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.965 0.067 19713 1405 1 5 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.546 0.274 19713 1406 1 5 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.134 -0.447 19713 1407 1 5 . 1 1 46 46 GLU H H 46 8.686 8.686 7.987 0.699 19713 1408 1 5 . 1 1 47 47 ARG N N 47 122.101 122.101 120.554 1.547 19713 1409 1 5 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.056 0.189 19713 1410 1 5 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.091 -0.278 19713 1411 1 5 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.030 0.036 19713 1412 1 5 . 1 1 47 47 ARG H H 47 8.042 8.042 8.090 -0.048 19713 1413 1 5 . 1 1 48 48 VAL N N 48 118.395 118.395 116.911 1.484 19713 1414 1 5 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.686 -0.036 19713 1415 1 5 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.319 1.643 19713 1416 1 5 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.450 0.804 19713 1417 1 5 . 1 1 48 48 VAL H H 48 8.466 8.466 8.125 0.341 19713 1418 1 5 . 1 1 49 49 ARG N N 49 119.126 119.126 120.870 -1.744 19713 1419 1 5 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.907 -0.036 19713 1420 1 5 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.882 0.874 19713 1421 1 5 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.825 -0.266 19713 1422 1 5 . 1 1 49 49 ARG H H 49 8.604 8.604 7.987 0.617 19713 1423 1 5 . 1 1 50 50 ALA N N 50 123.287 123.287 121.896 1.391 19713 1424 1 5 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.065 0.209 19713 1425 1 5 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.209 -0.087 19713 1426 1 5 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.031 -0.023 19713 1427 1 5 . 1 1 50 50 ALA H H 50 8.081 8.081 8.023 0.058 19713 1428 1 5 . 1 1 51 51 GLU N N 51 118.576 118.576 118.679 -0.103 19713 1429 1 5 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.002 0.447 19713 1430 1 5 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.731 -0.390 19713 1431 1 5 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.125 0.993 19713 1432 1 5 . 1 1 51 51 GLU H H 51 8.386 8.386 7.929 0.457 19713 1433 1 5 . 1 1 52 52 LEU N N 52 122.397 122.397 120.475 1.922 19713 1434 1 5 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.945 -0.007 19713 1435 1 5 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.115 -0.370 19713 1436 1 5 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.730 -0.487 19713 1437 1 5 . 1 1 52 52 LEU H H 52 8.976 8.976 8.550 0.426 19713 1438 1 5 . 1 1 53 53 ALA N N 53 119.025 119.025 120.389 -1.364 19713 1439 1 5 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.982 0.072 19713 1440 1 5 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.108 -0.014 19713 1441 1 5 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.151 -0.554 19713 1442 1 5 . 1 1 53 53 ALA H H 53 7.418 7.418 8.065 -0.647 19713 1443 1 5 . 1 1 54 54 ARG N N 54 116.311 116.311 117.327 -1.016 19713 1444 1 5 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.133 0.003 19713 1445 1 5 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.839 -0.153 19713 1446 1 5 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.369 0.071 19713 1447 1 5 . 1 1 54 54 ARG H H 54 7.316 7.316 7.924 -0.608 19713 1448 1 5 . 1 1 55 55 PHE N N 55 122.048 122.048 120.611 1.437 19713 1449 1 5 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.414 -0.381 19713 1450 1 5 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.858 0.928 19713 1451 1 5 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.867 0.189 19713 1452 1 5 . 1 1 55 55 PHE H H 55 8.729 8.729 8.108 0.621 19713 1453 1 5 . 1 1 56 56 LEU N N 56 116.538 116.538 119.580 -3.042 19713 1454 1 5 . 1 1 56 56 LEU HA H 56 4.043 4.043 4.097 -0.054 19713 1455 1 5 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.764 -2.047 19713 1456 1 5 . 1 1 56 56 LEU CB C 56 42.035 42.035 42.112 -0.077 19713 1457 1 5 . 1 1 56 56 LEU H H 56 8.133 8.133 8.676 -0.543 19713 1458 1 5 . 1 1 57 57 GLU N N 57 118.454 118.454 116.084 2.370 19713 1459 1 5 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.223 -0.119 19713 1460 1 5 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.780 0.774 19713 1461 1 5 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.639 0.387 19713 1462 1 5 . 1 1 57 57 GLU H H 57 7.479 7.479 7.698 -0.219 19713 1463 1 5 . 1 1 58 58 ASN N N 58 116.134 116.134 120.034 -3.900 19713 1464 1 5 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.014 -0.108 19713 1465 1 5 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.454 0.710 19713 1466 1 5 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.590 0.221 19713 1467 1 5 . 1 1 58 58 ASN H H 58 7.722 7.722 8.011 -0.289 19713 1468 1 5 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.474 -0.384 19713 1469 1 5 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.410 0.473 19713 1470 1 5 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.559 1.297 19713 1471 1 5 . 1 1 60 60 ALA N N 60 123.290 123.290 127.846 -4.556 19713 1472 1 5 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.362 -0.166 19713 1473 1 5 . 1 1 60 60 ALA CA C 60 52.877 52.877 53.118 -0.241 19713 1474 1 5 . 1 1 60 60 ALA CB C 60 18.898 18.898 19.871 -0.973 19713 1475 1 5 . 1 1 60 60 ALA H H 60 7.995 7.995 8.036 -0.041 19713 1476 1 5 . 1 1 61 61 ASP N N 61 118.409 118.409 120.002 -1.593 19713 1477 1 5 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.487 0.088 19713 1478 1 5 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.851 -2.577 19713 1479 1 5 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.219 -0.333 19713 1480 1 5 . 1 1 61 61 ASP H H 61 7.985 7.985 8.428 -0.443 19713 1481 1 5 . 1 1 62 62 LEU N N 62 121.754 121.754 118.258 3.496 19713 1482 1 5 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.141 0.029 19713 1483 1 5 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.413 -1.740 19713 1484 1 5 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.600 0.392 19713 1485 1 5 . 1 1 62 62 LEU H H 62 7.921 7.921 8.618 -0.697 19713 1486 1 6 . 1 1 2 2 LEU N N 2 123.873 123.873 125.590 -1.717 19713 1487 1 6 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.707 0.133 19713 1488 1 6 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.616 -0.917 19713 1489 1 6 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.232 3.311 19713 1490 1 6 . 1 1 2 2 LEU H H 2 8.977 8.977 8.315 0.662 19713 1491 1 6 . 1 1 3 3 MET N N 3 128.873 128.873 124.662 4.211 19713 1492 1 6 . 1 1 3 3 MET HA H 3 3.402 3.402 4.445 -1.043 19713 1493 1 6 . 1 1 3 3 MET CA C 3 55.648 55.648 55.967 -0.319 19713 1494 1 6 . 1 1 3 3 MET CB C 3 31.068 31.068 32.964 -1.896 19713 1495 1 6 . 1 1 3 3 MET H H 3 8.669 8.669 8.475 0.194 19713 1496 1 6 . 1 1 4 4 ILE N N 4 127.600 127.600 123.771 3.829 19713 1497 1 6 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.074 -0.151 19713 1498 1 6 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.017 -2.353 19713 1499 1 6 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.824 0.050 19713 1500 1 6 . 1 1 4 4 ILE H H 4 8.843 8.843 8.463 0.380 19713 1501 1 6 . 1 1 5 5 THR N N 5 109.859 109.859 111.403 -1.544 19713 1502 1 6 . 1 1 5 5 THR HA H 5 4.232 4.232 4.228 0.004 19713 1503 1 6 . 1 1 5 5 THR CA C 5 60.044 60.044 61.385 -1.341 19713 1504 1 6 . 1 1 5 5 THR CB C 5 98.915 98.915 69.036 29.879 19713 1505 1 6 . 1 1 5 5 THR H H 5 7.255 7.255 7.537 -0.282 19713 1506 1 6 . 1 1 6 6 SER N N 6 116.037 116.037 116.253 -0.216 19713 1507 1 6 . 1 1 6 6 SER HA H 6 5.353 5.353 4.518 0.835 19713 1508 1 6 . 1 1 6 6 SER CA C 6 56.774 56.774 57.398 -0.624 19713 1509 1 6 . 1 1 6 6 SER CB C 6 64.813 64.813 64.229 0.584 19713 1510 1 6 . 1 1 6 6 SER H H 6 7.717 7.717 7.939 -0.222 19713 1511 1 6 . 1 1 7 7 PHE N N 7 121.810 121.810 123.455 -1.645 19713 1512 1 6 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.675 0.236 19713 1513 1 6 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.529 0.234 19713 1514 1 6 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.233 3.190 19713 1515 1 6 . 1 1 7 7 PHE H H 7 8.928 8.928 8.262 0.666 19713 1516 1 6 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.509 0.086 19713 1517 1 6 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.035 1.543 19713 1518 1 6 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.280 -0.230 19713 1519 1 6 . 1 1 9 9 ASN N N 9 116.543 116.543 117.342 -0.799 19713 1520 1 6 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.055 0.195 19713 1521 1 6 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.768 -2.096 19713 1522 1 6 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.911 -1.153 19713 1523 1 6 . 1 1 9 9 ASN H H 9 8.133 8.133 7.805 0.328 19713 1524 1 6 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.474 -0.136 19713 1525 1 6 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.211 -0.633 19713 1526 1 6 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.199 0.156 19713 1527 1 6 . 1 1 11 11 ARG N N 11 118.730 118.730 119.557 -0.827 19713 1528 1 6 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.050 0.104 19713 1529 1 6 . 1 1 11 11 ARG CA C 11 58.851 58.851 58.862 -0.011 19713 1530 1 6 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.164 0.439 19713 1531 1 6 . 1 1 11 11 ARG H H 11 8.091 8.091 8.651 -0.560 19713 1532 1 6 . 1 1 12 12 VAL N N 12 122.396 122.396 117.974 4.422 19713 1533 1 6 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.648 -0.013 19713 1534 1 6 . 1 1 12 12 VAL CA C 12 65.532 65.532 66.045 -0.513 19713 1535 1 6 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.960 0.802 19713 1536 1 6 . 1 1 12 12 VAL H H 12 7.235 7.235 7.949 -0.714 19713 1537 1 6 . 1 1 13 13 ALA N N 13 119.674 119.674 122.139 -2.465 19713 1538 1 6 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.126 -1.002 19713 1539 1 6 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.719 -1.004 19713 1540 1 6 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.018 0.739 19713 1541 1 6 . 1 1 13 13 ALA H H 13 6.857 6.857 7.873 -1.016 19713 1542 1 6 . 1 1 14 14 GLN N N 14 115.202 115.202 119.346 -4.144 19713 1543 1 6 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.028 -0.345 19713 1544 1 6 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.324 -0.536 19713 1545 1 6 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.174 0.233 19713 1546 1 6 . 1 1 14 14 GLN H H 14 7.800 7.800 8.449 -0.649 19713 1547 1 6 . 1 1 15 15 ALA N N 15 121.416 121.416 122.001 -0.585 19713 1548 1 6 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.985 0.312 19713 1549 1 6 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.096 -0.106 19713 1550 1 6 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.156 -0.420 19713 1551 1 6 . 1 1 15 15 ALA H H 15 7.882 7.882 8.025 -0.143 19713 1552 1 6 . 1 1 16 16 PHE N N 16 120.765 120.765 118.573 2.192 19713 1553 1 6 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.414 -0.802 19713 1554 1 6 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.533 -1.392 19713 1555 1 6 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.252 -0.594 19713 1556 1 6 . 1 1 16 16 PHE H H 16 8.150 8.150 8.518 -0.368 19713 1557 1 6 . 1 1 17 17 VAL N N 17 120.622 120.622 115.360 5.262 19713 1558 1 6 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.587 -0.376 19713 1559 1 6 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.187 1.448 19713 1560 1 6 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.450 0.053 19713 1561 1 6 . 1 1 17 17 VAL H H 17 8.193 8.193 8.224 -0.031 19713 1562 1 6 . 1 1 18 18 ASP N N 18 123.142 123.142 121.888 1.254 19713 1563 1 6 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.366 0.027 19713 1564 1 6 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.259 0.290 19713 1565 1 6 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.924 -1.102 19713 1566 1 6 . 1 1 18 18 ASP H H 18 9.093 9.093 8.281 0.812 19713 1567 1 6 . 1 1 19 19 TYR N N 19 122.100 122.100 118.947 3.153 19713 1568 1 6 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.376 0.013 19713 1569 1 6 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.245 0.549 19713 1570 1 6 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.099 -0.112 19713 1571 1 6 . 1 1 19 19 TYR H H 19 8.142 8.142 8.099 0.043 19713 1572 1 6 . 1 1 20 20 MET N N 20 119.265 119.265 116.173 3.092 19713 1573 1 6 . 1 1 20 20 MET HA H 20 3.987 3.987 3.811 0.176 19713 1574 1 6 . 1 1 20 20 MET CA C 20 56.147 56.147 56.809 -0.661 19713 1575 1 6 . 1 1 20 20 MET CB C 20 28.818 28.818 32.289 -3.471 19713 1576 1 6 . 1 1 20 20 MET H H 20 8.421 8.421 7.504 0.917 19713 1577 1 6 . 1 1 21 21 ALA N N 21 124.076 124.076 122.697 1.379 19713 1578 1 6 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.238 -0.143 19713 1579 1 6 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.855 0.686 19713 1580 1 6 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.311 -0.995 19713 1581 1 6 . 1 1 21 21 ALA H H 21 8.107 8.107 7.902 0.205 19713 1582 1 6 . 1 1 22 22 THR N N 22 111.538 111.538 112.044 -0.506 19713 1583 1 6 . 1 1 22 22 THR HA H 22 4.236 4.236 4.089 0.147 19713 1584 1 6 . 1 1 22 22 THR CA C 22 64.631 64.631 64.789 -0.158 19713 1585 1 6 . 1 1 22 22 THR CB C 22 69.311 69.311 68.567 0.744 19713 1586 1 6 . 1 1 22 22 THR H H 22 7.590 7.590 7.846 -0.256 19713 1587 1 6 . 1 1 23 23 GLN N N 23 118.055 118.055 118.115 -0.060 19713 1588 1 6 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.386 -0.025 19713 1589 1 6 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.770 -2.037 19713 1590 1 6 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.051 -0.204 19713 1591 1 6 . 1 1 23 23 GLN H H 23 7.219 7.219 7.833 -0.614 19713 1592 1 6 . 1 1 24 24 GLY N N 24 106.367 106.367 107.497 -1.130 19713 1593 1 6 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.065 0.419 19713 1594 1 6 . 1 1 24 24 GLY H H 24 7.641 7.641 7.832 -0.191 19713 1595 1 6 . 1 1 25 25 VAL N N 25 120.869 120.869 121.370 -0.501 19713 1596 1 6 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.350 -0.088 19713 1597 1 6 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.583 0.297 19713 1598 1 6 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.888 0.942 19713 1599 1 6 . 1 1 25 25 VAL H H 25 7.664 7.664 8.136 -0.472 19713 1600 1 6 . 1 1 26 26 ILE N N 26 128.372 128.372 127.880 0.492 19713 1601 1 6 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.122 -0.199 19713 1602 1 6 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.426 -0.431 19713 1603 1 6 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.583 -0.647 19713 1604 1 6 . 1 1 26 26 ILE H H 26 9.003 9.003 8.479 0.524 19713 1605 1 6 . 1 1 27 27 LEU N N 27 130.068 130.068 125.876 4.192 19713 1606 1 6 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.749 0.465 19713 1607 1 6 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.918 -0.895 19713 1608 1 6 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.414 0.390 19713 1609 1 6 . 1 1 27 27 LEU H H 27 8.291 8.291 8.323 -0.032 19713 1610 1 6 . 1 1 28 28 THR N N 28 111.171 111.171 115.486 -4.315 19713 1611 1 6 . 1 1 28 28 THR HA H 28 4.763 4.763 4.534 0.229 19713 1612 1 6 . 1 1 28 28 THR CA C 28 60.132 60.132 61.426 -1.294 19713 1613 1 6 . 1 1 28 28 THR CB C 28 71.760 71.760 70.450 1.310 19713 1614 1 6 . 1 1 28 28 THR H H 28 8.948 8.948 8.201 0.747 19713 1615 1 6 . 1 1 29 29 ILE N N 29 121.390 121.390 121.748 -0.358 19713 1616 1 6 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.434 0.876 19713 1617 1 6 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.296 -0.388 19713 1618 1 6 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.587 1.181 19713 1619 1 6 . 1 1 29 29 ILE H H 29 8.713 8.713 8.420 0.293 19713 1620 1 6 . 1 1 30 30 GLN N N 30 127.776 127.776 124.212 3.564 19713 1621 1 6 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.571 0.201 19713 1622 1 6 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.283 -0.654 19713 1623 1 6 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.729 1.580 19713 1624 1 6 . 1 1 30 30 GLN H H 30 9.518 9.518 8.529 0.989 19713 1625 1 6 . 1 1 31 31 GLN N N 31 125.893 125.893 123.527 2.366 19713 1626 1 6 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.530 0.733 19713 1627 1 6 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.543 -0.533 19713 1628 1 6 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.007 1.389 19713 1629 1 6 . 1 1 31 31 GLN H H 31 9.029 9.029 8.701 0.328 19713 1630 1 6 . 1 1 32 32 HIS N N 32 121.451 121.451 124.129 -2.678 19713 1631 1 6 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.375 0.591 19713 1632 1 6 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.776 -2.262 19713 1633 1 6 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.528 0.133 19713 1634 1 6 . 1 1 32 32 HIS H H 32 8.912 8.912 8.714 0.198 19713 1635 1 6 . 1 1 33 33 ASN N N 33 121.954 121.954 122.051 -0.097 19713 1636 1 6 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.901 0.299 19713 1637 1 6 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.473 -0.367 19713 1638 1 6 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.962 0.485 19713 1639 1 6 . 1 1 33 33 ASN H H 33 8.940 8.940 8.571 0.369 19713 1640 1 6 . 1 1 34 34 GLN N N 34 123.175 123.175 122.802 0.373 19713 1641 1 6 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.402 0.217 19713 1642 1 6 . 1 1 34 34 GLN CA C 34 55.582 55.582 56.178 -0.597 19713 1643 1 6 . 1 1 34 34 GLN CB C 34 32.175 32.175 30.252 1.923 19713 1644 1 6 . 1 1 34 34 GLN H H 34 8.648 8.648 8.502 0.146 19713 1645 1 6 . 1 1 35 35 SER N N 35 118.568 118.568 121.343 -2.775 19713 1646 1 6 . 1 1 35 35 SER HA H 35 4.784 4.784 4.373 0.411 19713 1647 1 6 . 1 1 35 35 SER CA C 35 57.693 57.693 59.128 -1.435 19713 1648 1 6 . 1 1 35 35 SER CB C 35 64.218 64.218 63.099 1.119 19713 1649 1 6 . 1 1 35 35 SER H H 35 8.744 8.744 8.808 -0.064 19713 1650 1 6 . 1 1 36 36 ASP N N 36 127.988 127.988 126.655 1.333 19713 1651 1 6 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.787 0.200 19713 1652 1 6 . 1 1 36 36 ASP CA C 36 54.132 54.132 54.071 0.061 19713 1653 1 6 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.669 0.235 19713 1654 1 6 . 1 1 36 36 ASP H H 36 8.909 8.909 8.216 0.693 19713 1655 1 6 . 1 1 37 37 VAL N N 37 122.751 122.751 122.809 -0.058 19713 1656 1 6 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.422 0.555 19713 1657 1 6 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.763 0.058 19713 1658 1 6 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.848 1.251 19713 1659 1 6 . 1 1 37 37 VAL H H 37 8.691 8.691 8.521 0.170 19713 1660 1 6 . 1 1 38 38 TRP N N 38 128.913 128.913 127.663 1.250 19713 1661 1 6 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.048 0.034 19713 1662 1 6 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.695 1.078 19713 1663 1 6 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.516 2.692 19713 1664 1 6 . 1 1 38 38 TRP H H 38 9.644 9.644 7.780 1.864 19713 1665 1 6 . 1 1 39 39 LEU N N 39 122.523 122.523 121.548 0.975 19713 1666 1 6 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.673 0.178 19713 1667 1 6 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.089 -1.682 19713 1668 1 6 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.585 2.313 19713 1669 1 6 . 1 1 39 39 LEU H H 39 9.378 9.378 8.351 1.027 19713 1670 1 6 . 1 1 40 40 ALA N N 40 129.759 129.759 125.604 4.155 19713 1671 1 6 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.432 0.146 19713 1672 1 6 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.716 1.575 19713 1673 1 6 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.148 -0.112 19713 1674 1 6 . 1 1 40 40 ALA H H 40 8.806 8.806 8.438 0.368 19713 1675 1 6 . 1 1 41 41 ASP N N 41 115.611 115.611 119.804 -4.193 19713 1676 1 6 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.651 0.174 19713 1677 1 6 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.237 -1.220 19713 1678 1 6 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.657 -1.040 19713 1679 1 6 . 1 1 41 41 ASP H H 41 7.774 7.774 8.388 -0.614 19713 1680 1 6 . 1 1 42 42 GLU N N 42 123.031 123.031 123.622 -0.591 19713 1681 1 6 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.893 -0.259 19713 1682 1 6 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.505 0.184 19713 1683 1 6 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.658 -1.025 19713 1684 1 6 . 1 1 42 42 GLU H H 42 8.508 8.508 8.154 0.354 19713 1685 1 6 . 1 1 43 43 SER N N 43 116.358 116.358 112.749 3.609 19713 1686 1 6 . 1 1 43 43 SER HA H 43 4.373 4.373 4.163 0.210 19713 1687 1 6 . 1 1 43 43 SER CA C 43 61.171 61.171 61.243 -0.072 19713 1688 1 6 . 1 1 43 43 SER CB C 43 62.526 62.526 63.039 -0.513 19713 1689 1 6 . 1 1 43 43 SER H H 43 8.325 8.325 7.998 0.327 19713 1690 1 6 . 1 1 44 44 GLN N N 44 118.846 118.846 119.116 -0.270 19713 1691 1 6 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.414 0.248 19713 1692 1 6 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.418 -1.945 19713 1693 1 6 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.505 -0.370 19713 1694 1 6 . 1 1 44 44 GLN H H 44 7.741 7.741 7.851 -0.110 19713 1695 1 6 . 1 1 45 45 ALA N N 45 122.785 122.785 123.262 -0.477 19713 1696 1 6 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.969 -0.419 19713 1697 1 6 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.217 1.746 19713 1698 1 6 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.106 0.691 19713 1699 1 6 . 1 1 45 45 ALA H H 45 7.567 7.567 7.877 -0.310 19713 1700 1 6 . 1 1 46 46 GLU N N 46 116.794 116.794 118.160 -1.366 19713 1701 1 6 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.953 0.079 19713 1702 1 6 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.564 0.256 19713 1703 1 6 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.126 -0.438 19713 1704 1 6 . 1 1 46 46 GLU H H 46 8.686 8.686 7.954 0.732 19713 1705 1 6 . 1 1 47 47 ARG N N 47 122.101 122.101 120.513 1.588 19713 1706 1 6 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.043 0.202 19713 1707 1 6 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.072 -0.259 19713 1708 1 6 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.025 0.041 19713 1709 1 6 . 1 1 47 47 ARG H H 47 8.042 8.042 8.071 -0.029 19713 1710 1 6 . 1 1 48 48 VAL N N 48 118.395 118.395 116.767 1.628 19713 1711 1 6 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.684 -0.034 19713 1712 1 6 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.434 1.528 19713 1713 1 6 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.416 0.838 19713 1714 1 6 . 1 1 48 48 VAL H H 48 8.466 8.466 8.098 0.368 19713 1715 1 6 . 1 1 49 49 ARG N N 49 119.126 119.126 120.984 -1.858 19713 1716 1 6 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.919 -0.048 19713 1717 1 6 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.863 0.893 19713 1718 1 6 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.854 -0.295 19713 1719 1 6 . 1 1 49 49 ARG H H 49 8.604 8.604 7.946 0.658 19713 1720 1 6 . 1 1 50 50 ALA N N 50 123.287 123.287 121.858 1.429 19713 1721 1 6 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.062 0.212 19713 1722 1 6 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.209 -0.087 19713 1723 1 6 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.022 -0.014 19713 1724 1 6 . 1 1 50 50 ALA H H 50 8.081 8.081 8.028 0.053 19713 1725 1 6 . 1 1 51 51 GLU N N 51 118.576 118.576 118.513 0.063 19713 1726 1 6 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.976 0.473 19713 1727 1 6 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.705 -0.364 19713 1728 1 6 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.065 1.053 19713 1729 1 6 . 1 1 51 51 GLU H H 51 8.386 8.386 7.940 0.446 19713 1730 1 6 . 1 1 52 52 LEU N N 52 122.397 122.397 120.567 1.830 19713 1731 1 6 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.010 -0.072 19713 1732 1 6 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.143 -0.398 19713 1733 1 6 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.727 -0.485 19713 1734 1 6 . 1 1 52 52 LEU H H 52 8.976 8.976 8.428 0.548 19713 1735 1 6 . 1 1 53 53 ALA N N 53 119.025 119.025 120.719 -1.694 19713 1736 1 6 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.963 0.091 19713 1737 1 6 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.144 -0.050 19713 1738 1 6 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.116 -0.518 19713 1739 1 6 . 1 1 53 53 ALA H H 53 7.418 7.418 8.116 -0.698 19713 1740 1 6 . 1 1 54 54 ARG N N 54 116.311 116.311 117.421 -1.110 19713 1741 1 6 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.371 -0.235 19713 1742 1 6 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.205 0.481 19713 1743 1 6 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.365 0.075 19713 1744 1 6 . 1 1 54 54 ARG H H 54 7.316 7.316 7.751 -0.435 19713 1745 1 6 . 1 1 55 55 PHE N N 55 122.048 122.048 120.367 1.681 19713 1746 1 6 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.463 -0.430 19713 1747 1 6 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.949 0.837 19713 1748 1 6 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.713 0.343 19713 1749 1 6 . 1 1 55 55 PHE H H 55 8.729 8.729 7.956 0.773 19713 1750 1 6 . 1 1 56 56 LEU N N 56 116.538 116.538 120.666 -4.128 19713 1751 1 6 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.983 0.060 19713 1752 1 6 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.577 -1.860 19713 1753 1 6 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.959 0.076 19713 1754 1 6 . 1 1 56 56 LEU H H 56 8.133 8.133 8.761 -0.628 19713 1755 1 6 . 1 1 57 57 GLU N N 57 118.454 118.454 117.257 1.197 19713 1756 1 6 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.174 -0.070 19713 1757 1 6 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.928 0.626 19713 1758 1 6 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.691 0.335 19713 1759 1 6 . 1 1 57 57 GLU H H 57 7.479 7.479 7.931 -0.452 19713 1760 1 6 . 1 1 58 58 ASN N N 58 116.134 116.134 119.465 -3.331 19713 1761 1 6 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.024 -0.118 19713 1762 1 6 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.212 0.952 19713 1763 1 6 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.260 0.552 19713 1764 1 6 . 1 1 58 58 ASN H H 58 7.722 7.722 7.569 0.153 19713 1765 1 6 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.331 -0.241 19713 1766 1 6 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.302 0.581 19713 1767 1 6 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.814 1.042 19713 1768 1 6 . 1 1 60 60 ALA N N 60 123.290 123.290 127.406 -4.116 19713 1769 1 6 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.288 -0.092 19713 1770 1 6 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.810 0.067 19713 1771 1 6 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.139 -1.241 19713 1772 1 6 . 1 1 60 60 ALA H H 60 7.995 7.995 7.983 0.012 19713 1773 1 6 . 1 1 61 61 ASP N N 61 118.409 118.409 119.703 -1.294 19713 1774 1 6 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.608 -0.033 19713 1775 1 6 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.549 -1.275 19713 1776 1 6 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.584 -0.697 19713 1777 1 6 . 1 1 61 61 ASP H H 61 7.985 7.985 8.054 -0.069 19713 1778 1 6 . 1 1 62 62 LEU N N 62 121.754 121.754 117.741 4.013 19713 1779 1 6 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.220 -0.050 19713 1780 1 6 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.794 -1.121 19713 1781 1 6 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.130 0.862 19713 1782 1 6 . 1 1 62 62 LEU H H 62 7.921 7.921 8.070 -0.149 19713 1783 1 7 . 1 1 2 2 LEU N N 2 123.873 123.873 125.352 -1.479 19713 1784 1 7 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.760 0.080 19713 1785 1 7 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.764 -1.065 19713 1786 1 7 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.539 3.004 19713 1787 1 7 . 1 1 2 2 LEU H H 2 8.977 8.977 8.406 0.571 19713 1788 1 7 . 1 1 3 3 MET N N 3 128.873 128.873 124.285 4.588 19713 1789 1 7 . 1 1 3 3 MET HA H 3 3.402 3.402 4.388 -0.986 19713 1790 1 7 . 1 1 3 3 MET CA C 3 55.648 55.648 55.749 -0.101 19713 1791 1 7 . 1 1 3 3 MET CB C 3 31.068 31.068 32.746 -1.678 19713 1792 1 7 . 1 1 3 3 MET H H 3 8.669 8.669 8.506 0.163 19713 1793 1 7 . 1 1 4 4 ILE N N 4 127.600 127.600 123.811 3.789 19713 1794 1 7 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.019 -0.096 19713 1795 1 7 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.824 -2.160 19713 1796 1 7 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.820 0.054 19713 1797 1 7 . 1 1 4 4 ILE H H 4 8.843 8.843 8.426 0.417 19713 1798 1 7 . 1 1 5 5 THR N N 5 109.859 109.859 110.590 -0.731 19713 1799 1 7 . 1 1 5 5 THR HA H 5 4.232 4.232 4.229 0.003 19713 1800 1 7 . 1 1 5 5 THR CA C 5 60.044 60.044 61.383 -1.339 19713 1801 1 7 . 1 1 5 5 THR CB C 5 98.915 98.915 69.041 29.874 19713 1802 1 7 . 1 1 5 5 THR H H 5 7.255 7.255 7.529 -0.274 19713 1803 1 7 . 1 1 6 6 SER N N 6 116.037 116.037 116.278 -0.241 19713 1804 1 7 . 1 1 6 6 SER HA H 6 5.353 5.353 4.458 0.895 19713 1805 1 7 . 1 1 6 6 SER CA C 6 56.774 56.774 57.522 -0.748 19713 1806 1 7 . 1 1 6 6 SER CB C 6 64.813 64.813 64.124 0.689 19713 1807 1 7 . 1 1 6 6 SER H H 6 7.717 7.717 7.949 -0.232 19713 1808 1 7 . 1 1 7 7 PHE N N 7 121.810 121.810 123.491 -1.681 19713 1809 1 7 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.703 0.208 19713 1810 1 7 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.562 0.201 19713 1811 1 7 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.386 3.037 19713 1812 1 7 . 1 1 7 7 PHE H H 7 8.928 8.928 8.234 0.694 19713 1813 1 7 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.506 0.089 19713 1814 1 7 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.934 1.644 19713 1815 1 7 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.325 -0.275 19713 1816 1 7 . 1 1 9 9 ASN N N 9 116.543 116.543 117.779 -1.236 19713 1817 1 7 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.021 0.229 19713 1818 1 7 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.547 -1.875 19713 1819 1 7 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.872 -1.114 19713 1820 1 7 . 1 1 9 9 ASN H H 9 8.133 8.133 8.048 0.085 19713 1821 1 7 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.463 -0.125 19713 1822 1 7 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.049 -0.471 19713 1823 1 7 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.268 0.087 19713 1824 1 7 . 1 1 11 11 ARG N N 11 118.730 118.730 119.454 -0.724 19713 1825 1 7 . 1 1 11 11 ARG HA H 11 4.154 4.154 3.998 0.156 19713 1826 1 7 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.674 -0.823 19713 1827 1 7 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.063 0.540 19713 1828 1 7 . 1 1 11 11 ARG H H 11 8.091 8.091 8.627 -0.536 19713 1829 1 7 . 1 1 12 12 VAL N N 12 122.396 122.396 119.174 3.222 19713 1830 1 7 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.636 -0.001 19713 1831 1 7 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.684 -0.152 19713 1832 1 7 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.980 0.782 19713 1833 1 7 . 1 1 12 12 VAL H H 12 7.235 7.235 7.865 -0.630 19713 1834 1 7 . 1 1 13 13 ALA N N 13 119.674 119.674 121.588 -1.914 19713 1835 1 7 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.151 -1.027 19713 1836 1 7 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.644 -0.929 19713 1837 1 7 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.066 0.691 19713 1838 1 7 . 1 1 13 13 ALA H H 13 6.857 6.857 7.706 -0.849 19713 1839 1 7 . 1 1 14 14 GLN N N 14 115.202 115.202 119.411 -4.209 19713 1840 1 7 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.034 -0.351 19713 1841 1 7 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.333 -0.545 19713 1842 1 7 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.253 0.154 19713 1843 1 7 . 1 1 14 14 GLN H H 14 7.800 7.800 8.335 -0.535 19713 1844 1 7 . 1 1 15 15 ALA N N 15 121.416 121.416 121.986 -0.570 19713 1845 1 7 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.996 0.301 19713 1846 1 7 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.079 -0.089 19713 1847 1 7 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.168 -0.432 19713 1848 1 7 . 1 1 15 15 ALA H H 15 7.882 7.882 8.303 -0.421 19713 1849 1 7 . 1 1 16 16 PHE N N 16 120.765 120.765 118.761 2.004 19713 1850 1 7 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.435 -0.823 19713 1851 1 7 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.461 -1.320 19713 1852 1 7 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.301 -0.643 19713 1853 1 7 . 1 1 16 16 PHE H H 16 8.150 8.150 8.474 -0.324 19713 1854 1 7 . 1 1 17 17 VAL N N 17 120.622 120.622 115.153 5.469 19713 1855 1 7 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.615 -0.404 19713 1856 1 7 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.711 1.924 19713 1857 1 7 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.312 0.191 19713 1858 1 7 . 1 1 17 17 VAL H H 17 8.193 8.193 8.209 -0.016 19713 1859 1 7 . 1 1 18 18 ASP N N 18 123.142 123.142 122.686 0.456 19713 1860 1 7 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.406 -0.013 19713 1861 1 7 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.111 0.438 19713 1862 1 7 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.943 -1.121 19713 1863 1 7 . 1 1 18 18 ASP H H 18 9.093 9.093 8.254 0.839 19713 1864 1 7 . 1 1 19 19 TYR N N 19 122.100 122.100 119.164 2.936 19713 1865 1 7 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.380 0.009 19713 1866 1 7 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.268 0.526 19713 1867 1 7 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.186 -0.199 19713 1868 1 7 . 1 1 19 19 TYR H H 19 8.142 8.142 8.126 0.016 19713 1869 1 7 . 1 1 20 20 MET N N 20 119.265 119.265 116.384 2.881 19713 1870 1 7 . 1 1 20 20 MET HA H 20 3.987 3.987 3.764 0.223 19713 1871 1 7 . 1 1 20 20 MET CA C 20 56.147 56.147 56.622 -0.475 19713 1872 1 7 . 1 1 20 20 MET CB C 20 28.818 28.818 32.541 -3.724 19713 1873 1 7 . 1 1 20 20 MET H H 20 8.421 8.421 7.762 0.659 19713 1874 1 7 . 1 1 21 21 ALA N N 21 124.076 124.076 122.023 2.053 19713 1875 1 7 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.265 -0.170 19713 1876 1 7 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.861 0.679 19713 1877 1 7 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.288 -0.972 19713 1878 1 7 . 1 1 21 21 ALA H H 21 8.107 8.107 7.916 0.191 19713 1879 1 7 . 1 1 22 22 THR N N 22 111.538 111.538 112.693 -1.155 19713 1880 1 7 . 1 1 22 22 THR HA H 22 4.236 4.236 4.147 0.089 19713 1881 1 7 . 1 1 22 22 THR CA C 22 64.631 64.631 64.433 0.197 19713 1882 1 7 . 1 1 22 22 THR CB C 22 69.311 69.311 68.843 0.468 19713 1883 1 7 . 1 1 22 22 THR H H 22 7.590 7.590 7.854 -0.264 19713 1884 1 7 . 1 1 23 23 GLN N N 23 118.055 118.055 118.524 -0.469 19713 1885 1 7 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.360 0.001 19713 1886 1 7 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.763 -2.030 19713 1887 1 7 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.263 -0.416 19713 1888 1 7 . 1 1 23 23 GLN H H 23 7.219 7.219 7.422 -0.203 19713 1889 1 7 . 1 1 24 24 GLY N N 24 106.367 106.367 107.498 -1.131 19713 1890 1 7 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.121 0.363 19713 1891 1 7 . 1 1 24 24 GLY H H 24 7.641 7.641 7.733 -0.092 19713 1892 1 7 . 1 1 25 25 VAL N N 25 120.869 120.869 121.656 -0.787 19713 1893 1 7 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.273 -0.011 19713 1894 1 7 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.249 -0.369 19713 1895 1 7 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.674 1.156 19713 1896 1 7 . 1 1 25 25 VAL H H 25 7.664 7.664 7.870 -0.206 19713 1897 1 7 . 1 1 26 26 ILE N N 26 128.372 128.372 128.270 0.102 19713 1898 1 7 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.140 -0.217 19713 1899 1 7 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.227 -0.232 19713 1900 1 7 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.554 -0.619 19713 1901 1 7 . 1 1 26 26 ILE H H 26 9.003 9.003 8.468 0.535 19713 1902 1 7 . 1 1 27 27 LEU N N 27 130.068 130.068 126.263 3.805 19713 1903 1 7 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.751 0.463 19713 1904 1 7 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.489 -0.466 19713 1905 1 7 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.569 0.235 19713 1906 1 7 . 1 1 27 27 LEU H H 27 8.291 8.291 8.371 -0.080 19713 1907 1 7 . 1 1 28 28 THR N N 28 111.171 111.171 115.574 -4.403 19713 1908 1 7 . 1 1 28 28 THR HA H 28 4.763 4.763 4.541 0.222 19713 1909 1 7 . 1 1 28 28 THR CA C 28 60.132 60.132 61.410 -1.278 19713 1910 1 7 . 1 1 28 28 THR CB C 28 71.760 71.760 70.505 1.255 19713 1911 1 7 . 1 1 28 28 THR H H 28 8.948 8.948 8.227 0.721 19713 1912 1 7 . 1 1 29 29 ILE N N 29 121.390 121.390 121.692 -0.302 19713 1913 1 7 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.433 0.877 19713 1914 1 7 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.267 -0.359 19713 1915 1 7 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.671 1.097 19713 1916 1 7 . 1 1 29 29 ILE H H 29 8.713 8.713 8.419 0.294 19713 1917 1 7 . 1 1 30 30 GLN N N 30 127.776 127.776 123.916 3.860 19713 1918 1 7 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.562 0.210 19713 1919 1 7 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.240 -0.611 19713 1920 1 7 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.922 1.387 19713 1921 1 7 . 1 1 30 30 GLN H H 30 9.518 9.518 8.534 0.984 19713 1922 1 7 . 1 1 31 31 GLN N N 31 125.893 125.893 122.806 3.087 19713 1923 1 7 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.458 0.805 19713 1924 1 7 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.694 -0.684 19713 1925 1 7 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.112 1.284 19713 1926 1 7 . 1 1 31 31 GLN H H 31 9.029 9.029 8.623 0.406 19713 1927 1 7 . 1 1 32 32 HIS N N 32 121.451 121.451 124.485 -3.034 19713 1928 1 7 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.368 0.598 19713 1929 1 7 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.289 -1.775 19713 1930 1 7 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.714 -0.053 19713 1931 1 7 . 1 1 32 32 HIS H H 32 8.912 8.912 8.697 0.215 19713 1932 1 7 . 1 1 33 33 ASN N N 33 121.954 121.954 118.951 3.003 19713 1933 1 7 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.830 0.370 19713 1934 1 7 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.726 0.380 19713 1935 1 7 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.326 0.122 19713 1936 1 7 . 1 1 33 33 ASN H H 33 8.940 8.940 8.822 0.117 19713 1937 1 7 . 1 1 34 34 GLN N N 34 123.175 123.175 121.504 1.671 19713 1938 1 7 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.948 -0.329 19713 1939 1 7 . 1 1 34 34 GLN CA C 34 55.582 55.582 54.842 0.740 19713 1940 1 7 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.919 0.256 19713 1941 1 7 . 1 1 34 34 GLN H H 34 8.648 8.648 8.797 -0.149 19713 1942 1 7 . 1 1 35 35 SER N N 35 118.568 118.568 116.713 1.855 19713 1943 1 7 . 1 1 35 35 SER HA H 35 4.784 4.784 4.724 0.060 19713 1944 1 7 . 1 1 35 35 SER CA C 35 57.693 57.693 57.942 -0.249 19713 1945 1 7 . 1 1 35 35 SER CB C 35 64.218 64.218 64.175 0.043 19713 1946 1 7 . 1 1 35 35 SER H H 35 8.744 8.744 8.299 0.445 19713 1947 1 7 . 1 1 36 36 ASP N N 36 127.988 127.988 125.591 2.397 19713 1948 1 7 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.937 0.050 19713 1949 1 7 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.918 0.214 19713 1950 1 7 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.945 -0.041 19713 1951 1 7 . 1 1 36 36 ASP H H 36 8.909 8.909 8.611 0.298 19713 1952 1 7 . 1 1 37 37 VAL N N 37 122.751 122.751 122.166 0.585 19713 1953 1 7 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.435 0.542 19713 1954 1 7 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.790 0.031 19713 1955 1 7 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.338 0.761 19713 1956 1 7 . 1 1 37 37 VAL H H 37 8.691 8.691 8.473 0.218 19713 1957 1 7 . 1 1 38 38 TRP N N 38 128.913 128.913 127.629 1.284 19713 1958 1 7 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.047 0.035 19713 1959 1 7 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.633 1.140 19713 1960 1 7 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.630 2.578 19713 1961 1 7 . 1 1 38 38 TRP H H 38 9.644 9.644 7.840 1.804 19713 1962 1 7 . 1 1 39 39 LEU N N 39 122.523 122.523 121.601 0.922 19713 1963 1 7 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.666 0.185 19713 1964 1 7 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.104 -1.697 19713 1965 1 7 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.575 2.323 19713 1966 1 7 . 1 1 39 39 LEU H H 39 9.378 9.378 8.352 1.026 19713 1967 1 7 . 1 1 40 40 ALA N N 40 129.759 129.759 125.585 4.174 19713 1968 1 7 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.430 0.148 19713 1969 1 7 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.629 1.662 19713 1970 1 7 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.185 -0.149 19713 1971 1 7 . 1 1 40 40 ALA H H 40 8.806 8.806 8.443 0.363 19713 1972 1 7 . 1 1 41 41 ASP N N 41 115.611 115.611 119.631 -4.020 19713 1973 1 7 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.639 0.186 19713 1974 1 7 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.440 -1.423 19713 1975 1 7 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.829 -1.212 19713 1976 1 7 . 1 1 41 41 ASP H H 41 7.774 7.774 8.384 -0.610 19713 1977 1 7 . 1 1 42 42 GLU N N 42 123.031 123.031 124.694 -1.663 19713 1978 1 7 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.952 -0.318 19713 1979 1 7 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.475 0.214 19713 1980 1 7 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.613 -0.980 19713 1981 1 7 . 1 1 42 42 GLU H H 42 8.508 8.508 8.392 0.116 19713 1982 1 7 . 1 1 43 43 SER N N 43 116.358 116.358 114.891 1.467 19713 1983 1 7 . 1 1 43 43 SER HA H 43 4.373 4.373 4.151 0.222 19713 1984 1 7 . 1 1 43 43 SER CA C 43 61.171 61.171 60.934 0.237 19713 1985 1 7 . 1 1 43 43 SER CB C 43 62.526 62.526 63.007 -0.481 19713 1986 1 7 . 1 1 43 43 SER H H 43 8.325 8.325 8.011 0.314 19713 1987 1 7 . 1 1 44 44 GLN N N 44 118.846 118.846 118.935 -0.089 19713 1988 1 7 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.417 0.245 19713 1989 1 7 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.223 -1.750 19713 1990 1 7 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.246 -0.111 19713 1991 1 7 . 1 1 44 44 GLN H H 44 7.741 7.741 7.985 -0.244 19713 1992 1 7 . 1 1 45 45 ALA N N 45 122.785 122.785 122.488 0.297 19713 1993 1 7 . 1 1 45 45 ALA HA H 45 3.550 3.550 4.010 -0.460 19713 1994 1 7 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.280 1.683 19713 1995 1 7 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.355 0.442 19713 1996 1 7 . 1 1 45 45 ALA H H 45 7.567 7.567 7.884 -0.317 19713 1997 1 7 . 1 1 46 46 GLU N N 46 116.794 116.794 117.904 -1.110 19713 1998 1 7 . 1 1 46 46 GLU HA H 46 4.032 4.032 4.049 -0.017 19713 1999 1 7 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.421 0.399 19713 2000 1 7 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.439 -0.751 19713 2001 1 7 . 1 1 46 46 GLU H H 46 8.686 8.686 8.073 0.613 19713 2002 1 7 . 1 1 47 47 ARG N N 47 122.101 122.101 120.577 1.524 19713 2003 1 7 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.072 0.173 19713 2004 1 7 . 1 1 47 47 ARG CA C 47 58.813 58.813 58.897 -0.084 19713 2005 1 7 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.503 0.563 19713 2006 1 7 . 1 1 47 47 ARG H H 47 8.042 8.042 8.133 -0.091 19713 2007 1 7 . 1 1 48 48 VAL N N 48 118.395 118.395 117.140 1.255 19713 2008 1 7 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.801 -0.151 19713 2009 1 7 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.153 0.809 19713 2010 1 7 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.489 -0.235 19713 2011 1 7 . 1 1 48 48 VAL H H 48 8.466 8.466 8.413 0.053 19713 2012 1 7 . 1 1 49 49 ARG N N 49 119.126 119.126 120.625 -1.499 19713 2013 1 7 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.932 -0.061 19713 2014 1 7 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.860 0.896 19713 2015 1 7 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.922 -0.363 19713 2016 1 7 . 1 1 49 49 ARG H H 49 8.604 8.604 7.680 0.924 19713 2017 1 7 . 1 1 50 50 ALA N N 50 123.287 123.287 122.005 1.282 19713 2018 1 7 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.141 0.133 19713 2019 1 7 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.170 -0.048 19713 2020 1 7 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.106 -0.098 19713 2021 1 7 . 1 1 50 50 ALA H H 50 8.081 8.081 8.068 0.013 19713 2022 1 7 . 1 1 51 51 GLU N N 51 118.576 118.576 118.733 -0.157 19713 2023 1 7 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.011 0.438 19713 2024 1 7 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.725 -0.384 19713 2025 1 7 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.201 0.917 19713 2026 1 7 . 1 1 51 51 GLU H H 51 8.386 8.386 7.779 0.607 19713 2027 1 7 . 1 1 52 52 LEU N N 52 122.397 122.397 120.493 1.904 19713 2028 1 7 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.090 -0.152 19713 2029 1 7 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.153 -0.408 19713 2030 1 7 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.758 -0.515 19713 2031 1 7 . 1 1 52 52 LEU H H 52 8.976 8.976 8.523 0.453 19713 2032 1 7 . 1 1 53 53 ALA N N 53 119.025 119.025 120.755 -1.730 19713 2033 1 7 . 1 1 53 53 ALA HA H 53 4.054 4.054 4.014 0.040 19713 2034 1 7 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.047 0.047 19713 2035 1 7 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.174 -0.577 19713 2036 1 7 . 1 1 53 53 ALA H H 53 7.418 7.418 8.016 -0.598 19713 2037 1 7 . 1 1 54 54 ARG N N 54 116.311 116.311 117.579 -1.268 19713 2038 1 7 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.205 -0.069 19713 2039 1 7 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.375 0.311 19713 2040 1 7 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.537 -0.097 19713 2041 1 7 . 1 1 54 54 ARG H H 54 7.316 7.316 7.876 -0.560 19713 2042 1 7 . 1 1 55 55 PHE N N 55 122.048 122.048 121.109 0.939 19713 2043 1 7 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.424 -0.391 19713 2044 1 7 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.683 1.103 19713 2045 1 7 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.812 0.244 19713 2046 1 7 . 1 1 55 55 PHE H H 55 8.729 8.729 7.987 0.742 19713 2047 1 7 . 1 1 56 56 LEU N N 56 116.538 116.538 120.710 -4.172 19713 2048 1 7 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.948 0.095 19713 2049 1 7 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.815 -2.098 19713 2050 1 7 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.921 0.114 19713 2051 1 7 . 1 1 56 56 LEU H H 56 8.133 8.133 8.830 -0.697 19713 2052 1 7 . 1 1 57 57 GLU N N 57 118.454 118.454 117.061 1.393 19713 2053 1 7 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.162 -0.058 19713 2054 1 7 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.839 0.715 19713 2055 1 7 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.673 0.353 19713 2056 1 7 . 1 1 57 57 GLU H H 57 7.479 7.479 8.069 -0.590 19713 2057 1 7 . 1 1 58 58 ASN N N 58 116.134 116.134 119.653 -3.519 19713 2058 1 7 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.994 -0.088 19713 2059 1 7 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.252 0.912 19713 2060 1 7 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.911 -0.100 19713 2061 1 7 . 1 1 58 58 ASN H H 58 7.722 7.722 7.819 -0.097 19713 2062 1 7 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.270 -0.180 19713 2063 1 7 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.316 0.567 19713 2064 1 7 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.126 1.730 19713 2065 1 7 . 1 1 60 60 ALA N N 60 123.290 123.290 127.074 -3.784 19713 2066 1 7 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.318 -0.122 19713 2067 1 7 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.839 0.038 19713 2068 1 7 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.427 -1.529 19713 2069 1 7 . 1 1 60 60 ALA H H 60 7.995 7.995 7.994 0.001 19713 2070 1 7 . 1 1 61 61 ASP N N 61 118.409 118.409 119.395 -0.986 19713 2071 1 7 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.568 0.007 19713 2072 1 7 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.081 -1.807 19713 2073 1 7 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.685 -0.798 19713 2074 1 7 . 1 1 61 61 ASP H H 61 7.985 7.985 7.961 0.024 19713 2075 1 7 . 1 1 62 62 LEU N N 62 121.754 121.754 117.902 3.852 19713 2076 1 7 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.230 -0.060 19713 2077 1 7 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.982 -1.309 19713 2078 1 7 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.305 0.687 19713 2079 1 7 . 1 1 62 62 LEU H H 62 7.921 7.921 8.071 -0.150 19713 2080 1 8 . 1 1 2 2 LEU N N 2 123.873 123.873 125.434 -1.561 19713 2081 1 8 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.759 0.081 19713 2082 1 8 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.808 -1.109 19713 2083 1 8 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.611 2.932 19713 2084 1 8 . 1 1 2 2 LEU H H 2 8.977 8.977 8.450 0.527 19713 2085 1 8 . 1 1 3 3 MET N N 3 128.873 128.873 124.202 4.671 19713 2086 1 8 . 1 1 3 3 MET HA H 3 3.402 3.402 4.382 -0.980 19713 2087 1 8 . 1 1 3 3 MET CA C 3 55.648 55.648 55.674 -0.026 19713 2088 1 8 . 1 1 3 3 MET CB C 3 31.068 31.068 32.637 -1.569 19713 2089 1 8 . 1 1 3 3 MET H H 3 8.669 8.669 8.535 0.134 19713 2090 1 8 . 1 1 4 4 ILE N N 4 127.600 127.600 124.017 3.583 19713 2091 1 8 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.005 -0.082 19713 2092 1 8 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.906 -2.242 19713 2093 1 8 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.784 0.090 19713 2094 1 8 . 1 1 4 4 ILE H H 4 8.843 8.843 8.511 0.332 19713 2095 1 8 . 1 1 5 5 THR N N 5 109.859 109.859 111.019 -1.160 19713 2096 1 8 . 1 1 5 5 THR HA H 5 4.232 4.232 4.241 -0.009 19713 2097 1 8 . 1 1 5 5 THR CA C 5 60.044 60.044 61.395 -1.351 19713 2098 1 8 . 1 1 5 5 THR CB C 5 98.915 98.915 69.300 29.614 19713 2099 1 8 . 1 1 5 5 THR H H 5 7.255 7.255 7.547 -0.292 19713 2100 1 8 . 1 1 6 6 SER N N 6 116.037 116.037 116.536 -0.499 19713 2101 1 8 . 1 1 6 6 SER HA H 6 5.353 5.353 4.674 0.679 19713 2102 1 8 . 1 1 6 6 SER CA C 6 56.774 56.774 57.533 -0.759 19713 2103 1 8 . 1 1 6 6 SER CB C 6 64.813 64.813 64.132 0.681 19713 2104 1 8 . 1 1 6 6 SER H H 6 7.717 7.717 8.000 -0.283 19713 2105 1 8 . 1 1 7 7 PHE N N 7 121.810 121.810 123.319 -1.509 19713 2106 1 8 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.598 0.313 19713 2107 1 8 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.609 0.154 19713 2108 1 8 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.423 3.000 19713 2109 1 8 . 1 1 7 7 PHE H H 7 8.928 8.928 8.235 0.693 19713 2110 1 8 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.474 0.121 19713 2111 1 8 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.114 1.464 19713 2112 1 8 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.290 -0.240 19713 2113 1 8 . 1 1 9 9 ASN N N 9 116.543 116.543 117.370 -0.827 19713 2114 1 8 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.962 0.288 19713 2115 1 8 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.911 -2.239 19713 2116 1 8 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.442 -0.684 19713 2117 1 8 . 1 1 9 9 ASN H H 9 8.133 8.133 8.017 0.116 19713 2118 1 8 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.427 -0.089 19713 2119 1 8 . 1 1 10 10 PRO CA C 10 64.578 64.578 64.954 -0.376 19713 2120 1 8 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.135 0.220 19713 2121 1 8 . 1 1 11 11 ARG N N 11 118.730 118.730 119.154 -0.424 19713 2122 1 8 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.065 0.089 19713 2123 1 8 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.597 -0.746 19713 2124 1 8 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.236 0.367 19713 2125 1 8 . 1 1 11 11 ARG H H 11 8.091 8.091 8.768 -0.677 19713 2126 1 8 . 1 1 12 12 VAL N N 12 122.396 122.396 118.957 3.439 19713 2127 1 8 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.760 -0.125 19713 2128 1 8 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.718 -0.186 19713 2129 1 8 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.749 1.013 19713 2130 1 8 . 1 1 12 12 VAL H H 12 7.235 7.235 7.844 -0.609 19713 2131 1 8 . 1 1 13 13 ALA N N 13 119.674 119.674 122.059 -2.385 19713 2132 1 8 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.999 -0.875 19713 2133 1 8 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.653 -0.938 19713 2134 1 8 . 1 1 13 13 ALA CB C 13 18.757 18.757 17.994 0.763 19713 2135 1 8 . 1 1 13 13 ALA H H 13 6.857 6.857 7.808 -0.951 19713 2136 1 8 . 1 1 14 14 GLN N N 14 115.202 115.202 119.217 -4.015 19713 2137 1 8 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.030 -0.347 19713 2138 1 8 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.272 -0.484 19713 2139 1 8 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.191 0.216 19713 2140 1 8 . 1 1 14 14 GLN H H 14 7.800 7.800 8.443 -0.643 19713 2141 1 8 . 1 1 15 15 ALA N N 15 121.416 121.416 122.327 -0.911 19713 2142 1 8 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.026 0.271 19713 2143 1 8 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.070 -0.080 19713 2144 1 8 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.992 -0.256 19713 2145 1 8 . 1 1 15 15 ALA H H 15 7.882 7.882 8.005 -0.123 19713 2146 1 8 . 1 1 16 16 PHE N N 16 120.765 120.765 118.492 2.273 19713 2147 1 8 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.450 -0.838 19713 2148 1 8 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.762 -1.621 19713 2149 1 8 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.259 -0.601 19713 2150 1 8 . 1 1 16 16 PHE H H 16 8.150 8.150 8.615 -0.465 19713 2151 1 8 . 1 1 17 17 VAL N N 17 120.622 120.622 115.177 5.445 19713 2152 1 8 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.523 -0.312 19713 2153 1 8 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.659 1.976 19713 2154 1 8 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.292 0.211 19713 2155 1 8 . 1 1 17 17 VAL H H 17 8.193 8.193 8.217 -0.024 19713 2156 1 8 . 1 1 18 18 ASP N N 18 123.142 123.142 122.550 0.592 19713 2157 1 8 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.363 0.030 19713 2158 1 8 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.720 -0.171 19713 2159 1 8 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.108 -1.286 19713 2160 1 8 . 1 1 18 18 ASP H H 18 9.093 9.093 8.188 0.905 19713 2161 1 8 . 1 1 19 19 TYR N N 19 122.100 122.100 118.376 3.724 19713 2162 1 8 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.256 0.133 19713 2163 1 8 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.111 0.683 19713 2164 1 8 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.916 0.071 19713 2165 1 8 . 1 1 19 19 TYR H H 19 8.142 8.142 8.029 0.113 19713 2166 1 8 . 1 1 20 20 MET N N 20 119.265 119.265 118.273 0.992 19713 2167 1 8 . 1 1 20 20 MET HA H 20 3.987 3.987 3.880 0.107 19713 2168 1 8 . 1 1 20 20 MET CA C 20 56.147 56.147 56.960 -0.813 19713 2169 1 8 . 1 1 20 20 MET CB C 20 28.818 28.818 32.388 -3.570 19713 2170 1 8 . 1 1 20 20 MET H H 20 8.421 8.421 7.484 0.937 19713 2171 1 8 . 1 1 21 21 ALA N N 21 124.076 124.076 120.859 3.217 19713 2172 1 8 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.287 -0.192 19713 2173 1 8 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.721 0.819 19713 2174 1 8 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.187 -0.871 19713 2175 1 8 . 1 1 21 21 ALA H H 21 8.107 8.107 7.653 0.454 19713 2176 1 8 . 1 1 22 22 THR N N 22 111.538 111.538 112.652 -1.114 19713 2177 1 8 . 1 1 22 22 THR HA H 22 4.236 4.236 4.116 0.120 19713 2178 1 8 . 1 1 22 22 THR CA C 22 64.631 64.631 64.805 -0.174 19713 2179 1 8 . 1 1 22 22 THR CB C 22 69.311 69.311 68.818 0.493 19713 2180 1 8 . 1 1 22 22 THR H H 22 7.590 7.590 7.892 -0.302 19713 2181 1 8 . 1 1 23 23 GLN N N 23 118.055 118.055 118.537 -0.482 19713 2182 1 8 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.387 -0.026 19713 2183 1 8 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.620 -1.887 19713 2184 1 8 . 1 1 23 23 GLN CB C 23 28.847 28.847 28.863 -0.016 19713 2185 1 8 . 1 1 23 23 GLN H H 23 7.219 7.219 7.875 -0.656 19713 2186 1 8 . 1 1 24 24 GLY N N 24 106.367 106.367 107.054 -0.687 19713 2187 1 8 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.150 0.334 19713 2188 1 8 . 1 1 24 24 GLY H H 24 7.641 7.641 7.807 -0.166 19713 2189 1 8 . 1 1 25 25 VAL N N 25 120.869 120.869 122.332 -1.463 19713 2190 1 8 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.320 -0.058 19713 2191 1 8 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.851 0.029 19713 2192 1 8 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.048 1.782 19713 2193 1 8 . 1 1 25 25 VAL H H 25 7.664 7.664 7.835 -0.171 19713 2194 1 8 . 1 1 26 26 ILE N N 26 128.372 128.372 128.312 0.060 19713 2195 1 8 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.125 -0.202 19713 2196 1 8 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.300 -0.305 19713 2197 1 8 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.352 -0.416 19713 2198 1 8 . 1 1 26 26 ILE H H 26 9.003 9.003 8.454 0.549 19713 2199 1 8 . 1 1 27 27 LEU N N 27 130.068 130.068 126.403 3.665 19713 2200 1 8 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.654 0.560 19713 2201 1 8 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.987 -0.964 19713 2202 1 8 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.313 0.491 19713 2203 1 8 . 1 1 27 27 LEU H H 27 8.291 8.291 8.280 0.011 19713 2204 1 8 . 1 1 28 28 THR N N 28 111.171 111.171 115.656 -4.485 19713 2205 1 8 . 1 1 28 28 THR HA H 28 4.763 4.763 4.570 0.193 19713 2206 1 8 . 1 1 28 28 THR CA C 28 60.132 60.132 61.579 -1.447 19713 2207 1 8 . 1 1 28 28 THR CB C 28 71.760 71.760 70.312 1.448 19713 2208 1 8 . 1 1 28 28 THR H H 28 8.948 8.948 8.204 0.744 19713 2209 1 8 . 1 1 29 29 ILE N N 29 121.390 121.390 121.993 -0.603 19713 2210 1 8 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.395 0.915 19713 2211 1 8 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.361 -0.453 19713 2212 1 8 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.689 1.079 19713 2213 1 8 . 1 1 29 29 ILE H H 29 8.713 8.713 8.389 0.324 19713 2214 1 8 . 1 1 30 30 GLN N N 30 127.776 127.776 124.183 3.593 19713 2215 1 8 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.559 0.213 19713 2216 1 8 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.186 -0.557 19713 2217 1 8 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.712 1.597 19713 2218 1 8 . 1 1 30 30 GLN H H 30 9.518 9.518 8.504 1.014 19713 2219 1 8 . 1 1 31 31 GLN N N 31 125.893 125.893 122.265 3.628 19713 2220 1 8 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.352 0.911 19713 2221 1 8 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.676 -0.666 19713 2222 1 8 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.403 0.993 19713 2223 1 8 . 1 1 31 31 GLN H H 31 9.029 9.029 8.642 0.387 19713 2224 1 8 . 1 1 32 32 HIS N N 32 121.451 121.451 123.907 -2.456 19713 2225 1 8 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.575 0.391 19713 2226 1 8 . 1 1 32 32 HIS CA C 32 54.514 54.514 55.658 -1.144 19713 2227 1 8 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.959 -0.298 19713 2228 1 8 . 1 1 32 32 HIS H H 32 8.912 8.912 8.476 0.436 19713 2229 1 8 . 1 1 33 33 ASN N N 33 121.954 121.954 118.916 3.038 19713 2230 1 8 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.830 0.370 19713 2231 1 8 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.862 0.244 19713 2232 1 8 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.925 -0.477 19713 2233 1 8 . 1 1 33 33 ASN H H 33 8.940 8.940 8.845 0.095 19713 2234 1 8 . 1 1 34 34 GLN N N 34 123.175 123.175 121.176 1.999 19713 2235 1 8 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.905 -0.286 19713 2236 1 8 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.180 0.402 19713 2237 1 8 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.932 0.243 19713 2238 1 8 . 1 1 34 34 GLN H H 34 8.648 8.648 8.723 -0.075 19713 2239 1 8 . 1 1 35 35 SER N N 35 118.568 118.568 116.803 1.765 19713 2240 1 8 . 1 1 35 35 SER HA H 35 4.784 4.784 4.601 0.183 19713 2241 1 8 . 1 1 35 35 SER CA C 35 57.693 57.693 58.071 -0.378 19713 2242 1 8 . 1 1 35 35 SER CB C 35 64.218 64.218 64.116 0.102 19713 2243 1 8 . 1 1 35 35 SER H H 35 8.744 8.744 8.291 0.453 19713 2244 1 8 . 1 1 36 36 ASP N N 36 127.988 127.988 124.618 3.370 19713 2245 1 8 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.791 0.196 19713 2246 1 8 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.924 0.208 19713 2247 1 8 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.734 0.170 19713 2248 1 8 . 1 1 36 36 ASP H H 36 8.909 8.909 8.516 0.393 19713 2249 1 8 . 1 1 37 37 VAL N N 37 122.751 122.751 123.582 -0.831 19713 2250 1 8 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.382 0.595 19713 2251 1 8 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.654 0.168 19713 2252 1 8 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.270 0.829 19713 2253 1 8 . 1 1 37 37 VAL H H 37 8.691 8.691 8.413 0.278 19713 2254 1 8 . 1 1 38 38 TRP N N 38 128.913 128.913 127.243 1.670 19713 2255 1 8 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.036 0.046 19713 2256 1 8 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.252 1.521 19713 2257 1 8 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.475 2.733 19713 2258 1 8 . 1 1 38 38 TRP H H 38 9.644 9.644 7.770 1.874 19713 2259 1 8 . 1 1 39 39 LEU N N 39 122.523 122.523 121.686 0.837 19713 2260 1 8 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.672 0.179 19713 2261 1 8 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.044 -1.637 19713 2262 1 8 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.586 2.312 19713 2263 1 8 . 1 1 39 39 LEU H H 39 9.378 9.378 8.334 1.044 19713 2264 1 8 . 1 1 40 40 ALA N N 40 129.759 129.759 125.660 4.099 19713 2265 1 8 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.433 0.145 19713 2266 1 8 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.731 1.560 19713 2267 1 8 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.137 -0.101 19713 2268 1 8 . 1 1 40 40 ALA H H 40 8.806 8.806 8.428 0.378 19713 2269 1 8 . 1 1 41 41 ASP N N 41 115.611 115.611 119.548 -3.937 19713 2270 1 8 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.650 0.175 19713 2271 1 8 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.193 -1.176 19713 2272 1 8 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.714 -1.097 19713 2273 1 8 . 1 1 41 41 ASP H H 41 7.774 7.774 8.396 -0.622 19713 2274 1 8 . 1 1 42 42 GLU N N 42 123.031 123.031 124.297 -1.266 19713 2275 1 8 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.982 -0.348 19713 2276 1 8 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.636 0.053 19713 2277 1 8 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.660 -1.027 19713 2278 1 8 . 1 1 42 42 GLU H H 42 8.508 8.508 8.296 0.212 19713 2279 1 8 . 1 1 43 43 SER N N 43 116.358 116.358 114.767 1.591 19713 2280 1 8 . 1 1 43 43 SER HA H 43 4.373 4.373 4.157 0.216 19713 2281 1 8 . 1 1 43 43 SER CA C 43 61.171 61.171 60.649 0.522 19713 2282 1 8 . 1 1 43 43 SER CB C 43 62.526 62.526 62.976 -0.450 19713 2283 1 8 . 1 1 43 43 SER H H 43 8.325 8.325 8.462 -0.137 19713 2284 1 8 . 1 1 44 44 GLN N N 44 118.846 118.846 119.060 -0.214 19713 2285 1 8 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.417 0.245 19713 2286 1 8 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.327 -1.854 19713 2287 1 8 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.638 -0.503 19713 2288 1 8 . 1 1 44 44 GLN H H 44 7.741 7.741 7.841 -0.100 19713 2289 1 8 . 1 1 45 45 ALA N N 45 122.785 122.785 123.392 -0.607 19713 2290 1 8 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.963 -0.413 19713 2291 1 8 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.250 1.713 19713 2292 1 8 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.074 0.723 19713 2293 1 8 . 1 1 45 45 ALA H H 45 7.567 7.567 7.893 -0.326 19713 2294 1 8 . 1 1 46 46 GLU N N 46 116.794 116.794 118.006 -1.212 19713 2295 1 8 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.945 0.087 19713 2296 1 8 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.609 0.211 19713 2297 1 8 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.105 -0.417 19713 2298 1 8 . 1 1 46 46 GLU H H 46 8.686 8.686 7.964 0.722 19713 2299 1 8 . 1 1 47 47 ARG N N 47 122.101 122.101 120.655 1.446 19713 2300 1 8 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.070 0.175 19713 2301 1 8 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.076 -0.263 19713 2302 1 8 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.047 0.019 19713 2303 1 8 . 1 1 47 47 ARG H H 47 8.042 8.042 8.085 -0.043 19713 2304 1 8 . 1 1 48 48 VAL N N 48 118.395 118.395 116.584 1.811 19713 2305 1 8 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.608 0.042 19713 2306 1 8 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.366 0.596 19713 2307 1 8 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.234 0.020 19713 2308 1 8 . 1 1 48 48 VAL H H 48 8.466 8.466 8.087 0.379 19713 2309 1 8 . 1 1 49 49 ARG N N 49 119.126 119.126 120.475 -1.349 19713 2310 1 8 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.917 -0.046 19713 2311 1 8 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.828 0.928 19713 2312 1 8 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.859 -0.300 19713 2313 1 8 . 1 1 49 49 ARG H H 49 8.604 8.604 7.921 0.683 19713 2314 1 8 . 1 1 50 50 ALA N N 50 123.287 123.287 121.835 1.452 19713 2315 1 8 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.063 0.211 19713 2316 1 8 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.262 -0.140 19713 2317 1 8 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.030 -0.022 19713 2318 1 8 . 1 1 50 50 ALA H H 50 8.081 8.081 8.043 0.038 19713 2319 1 8 . 1 1 51 51 GLU N N 51 118.576 118.576 118.491 0.085 19713 2320 1 8 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.036 0.413 19713 2321 1 8 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.655 -0.314 19713 2322 1 8 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.172 0.946 19713 2323 1 8 . 1 1 51 51 GLU H H 51 8.386 8.386 8.021 0.365 19713 2324 1 8 . 1 1 52 52 LEU N N 52 122.397 122.397 120.770 1.627 19713 2325 1 8 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.961 -0.023 19713 2326 1 8 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.418 -0.673 19713 2327 1 8 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.675 -0.432 19713 2328 1 8 . 1 1 52 52 LEU H H 52 8.976 8.976 8.392 0.584 19713 2329 1 8 . 1 1 53 53 ALA N N 53 119.025 119.025 120.988 -1.963 19713 2330 1 8 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.964 0.090 19713 2331 1 8 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.262 -0.168 19713 2332 1 8 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.153 -0.556 19713 2333 1 8 . 1 1 53 53 ALA H H 53 7.418 7.418 8.118 -0.700 19713 2334 1 8 . 1 1 54 54 ARG N N 54 116.311 116.311 117.357 -1.046 19713 2335 1 8 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.123 0.013 19713 2336 1 8 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.646 0.040 19713 2337 1 8 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.247 0.193 19713 2338 1 8 . 1 1 54 54 ARG H H 54 7.316 7.316 7.865 -0.549 19713 2339 1 8 . 1 1 55 55 PHE N N 55 122.048 122.048 120.467 1.581 19713 2340 1 8 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.447 -0.414 19713 2341 1 8 . 1 1 55 55 PHE CA C 55 60.786 60.786 60.258 0.528 19713 2342 1 8 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.731 0.325 19713 2343 1 8 . 1 1 55 55 PHE H H 55 8.729 8.729 7.975 0.754 19713 2344 1 8 . 1 1 56 56 LEU N N 56 116.538 116.538 120.922 -4.384 19713 2345 1 8 . 1 1 56 56 LEU HA H 56 4.043 4.043 4.103 -0.060 19713 2346 1 8 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.770 -2.053 19713 2347 1 8 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.982 0.053 19713 2348 1 8 . 1 1 56 56 LEU H H 56 8.133 8.133 8.813 -0.680 19713 2349 1 8 . 1 1 57 57 GLU N N 57 118.454 118.454 117.017 1.437 19713 2350 1 8 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.219 -0.115 19713 2351 1 8 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.812 0.742 19713 2352 1 8 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.775 0.251 19713 2353 1 8 . 1 1 57 57 GLU H H 57 7.479 7.479 7.937 -0.458 19713 2354 1 8 . 1 1 58 58 ASN N N 58 116.134 116.134 119.943 -3.809 19713 2355 1 8 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.042 -0.136 19713 2356 1 8 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.284 0.880 19713 2357 1 8 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.198 0.613 19713 2358 1 8 . 1 1 58 58 ASN H H 58 7.722 7.722 7.997 -0.275 19713 2359 1 8 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.474 -0.384 19713 2360 1 8 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.373 0.510 19713 2361 1 8 . 1 1 59 59 PRO CB C 59 31.856 31.856 31.133 0.723 19713 2362 1 8 . 1 1 60 60 ALA N N 60 123.290 123.290 127.850 -4.560 19713 2363 1 8 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.456 -0.260 19713 2364 1 8 . 1 1 60 60 ALA CA C 60 52.877 52.877 53.014 -0.137 19713 2365 1 8 . 1 1 60 60 ALA CB C 60 18.898 18.898 19.823 -0.925 19713 2366 1 8 . 1 1 60 60 ALA H H 60 7.995 7.995 8.211 -0.216 19713 2367 1 8 . 1 1 61 61 ASP N N 61 118.409 118.409 119.475 -1.066 19713 2368 1 8 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.655 -0.080 19713 2369 1 8 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.992 -1.718 19713 2370 1 8 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.759 -0.872 19713 2371 1 8 . 1 1 61 61 ASP H H 61 7.985 7.985 8.154 -0.169 19713 2372 1 8 . 1 1 62 62 LEU N N 62 121.754 121.754 117.708 4.046 19713 2373 1 8 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.268 -0.098 19713 2374 1 8 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.866 -1.193 19713 2375 1 8 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.560 0.432 19713 2376 1 8 . 1 1 62 62 LEU H H 62 7.921 7.921 8.619 -0.698 19713 2377 1 9 . 1 1 2 2 LEU N N 2 123.873 123.873 125.567 -1.694 19713 2378 1 9 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.775 0.065 19713 2379 1 9 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.822 -1.123 19713 2380 1 9 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.592 2.951 19713 2381 1 9 . 1 1 2 2 LEU H H 2 8.977 8.977 8.453 0.524 19713 2382 1 9 . 1 1 3 3 MET N N 3 128.873 128.873 124.340 4.533 19713 2383 1 9 . 1 1 3 3 MET HA H 3 3.402 3.402 4.426 -1.024 19713 2384 1 9 . 1 1 3 3 MET CA C 3 55.648 55.648 55.734 -0.086 19713 2385 1 9 . 1 1 3 3 MET CB C 3 31.068 31.068 32.667 -1.599 19713 2386 1 9 . 1 1 3 3 MET H H 3 8.669 8.669 8.548 0.121 19713 2387 1 9 . 1 1 4 4 ILE N N 4 127.600 127.600 123.904 3.696 19713 2388 1 9 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.047 -0.124 19713 2389 1 9 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.839 -2.175 19713 2390 1 9 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.946 -0.072 19713 2391 1 9 . 1 1 4 4 ILE H H 4 8.843 8.843 8.615 0.228 19713 2392 1 9 . 1 1 5 5 THR N N 5 109.859 109.859 109.898 -0.039 19713 2393 1 9 . 1 1 5 5 THR HA H 5 4.232 4.232 4.308 -0.076 19713 2394 1 9 . 1 1 5 5 THR CA C 5 60.044 60.044 61.392 -1.348 19713 2395 1 9 . 1 1 5 5 THR CB C 5 98.915 98.915 68.976 29.939 19713 2396 1 9 . 1 1 5 5 THR H H 5 7.255 7.255 7.716 -0.461 19713 2397 1 9 . 1 1 6 6 SER N N 6 116.037 116.037 116.188 -0.151 19713 2398 1 9 . 1 1 6 6 SER HA H 6 5.353 5.353 4.861 0.492 19713 2399 1 9 . 1 1 6 6 SER CA C 6 56.774 56.774 57.530 -0.756 19713 2400 1 9 . 1 1 6 6 SER CB C 6 64.813 64.813 64.706 0.107 19713 2401 1 9 . 1 1 6 6 SER H H 6 7.717 7.717 8.039 -0.322 19713 2402 1 9 . 1 1 7 7 PHE N N 7 121.810 121.810 121.067 0.743 19713 2403 1 9 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.614 0.297 19713 2404 1 9 . 1 1 7 7 PHE CA C 7 56.763 56.763 57.357 -0.594 19713 2405 1 9 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.837 2.586 19713 2406 1 9 . 1 1 7 7 PHE H H 7 8.928 8.928 8.334 0.594 19713 2407 1 9 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.465 0.130 19713 2408 1 9 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.938 1.640 19713 2409 1 9 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.265 -0.215 19713 2410 1 9 . 1 1 9 9 ASN N N 9 116.543 116.543 117.721 -1.178 19713 2411 1 9 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.050 0.200 19713 2412 1 9 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.936 -2.264 19713 2413 1 9 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.201 -0.443 19713 2414 1 9 . 1 1 9 9 ASN H H 9 8.133 8.133 7.652 0.481 19713 2415 1 9 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.412 -0.074 19713 2416 1 9 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.445 -0.867 19713 2417 1 9 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.102 0.253 19713 2418 1 9 . 1 1 11 11 ARG N N 11 118.730 118.730 119.535 -0.805 19713 2419 1 9 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.088 0.066 19713 2420 1 9 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.188 -0.337 19713 2421 1 9 . 1 1 11 11 ARG CB C 11 29.603 29.603 28.782 0.821 19713 2422 1 9 . 1 1 11 11 ARG H H 11 8.091 8.091 8.696 -0.605 19713 2423 1 9 . 1 1 12 12 VAL N N 12 122.396 122.396 120.001 2.395 19713 2424 1 9 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.754 -0.119 19713 2425 1 9 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.296 0.236 19713 2426 1 9 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.817 0.945 19713 2427 1 9 . 1 1 12 12 VAL H H 12 7.235 7.235 7.924 -0.689 19713 2428 1 9 . 1 1 13 13 ALA N N 13 119.674 119.674 121.692 -2.018 19713 2429 1 9 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.347 -0.223 19713 2430 1 9 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.208 -0.493 19713 2431 1 9 . 1 1 13 13 ALA CB C 13 18.757 18.757 17.872 0.885 19713 2432 1 9 . 1 1 13 13 ALA H H 13 6.857 6.857 7.503 -0.646 19713 2433 1 9 . 1 1 14 14 GLN N N 14 115.202 115.202 119.101 -3.899 19713 2434 1 9 . 1 1 14 14 GLN HA H 14 3.683 3.683 3.923 -0.240 19713 2435 1 9 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.748 -0.960 19713 2436 1 9 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.445 -0.038 19713 2437 1 9 . 1 1 14 14 GLN H H 14 7.800 7.800 8.082 -0.282 19713 2438 1 9 . 1 1 15 15 ALA N N 15 121.416 121.416 121.818 -0.402 19713 2439 1 9 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.989 0.308 19713 2440 1 9 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.070 -0.080 19713 2441 1 9 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.271 -0.535 19713 2442 1 9 . 1 1 15 15 ALA H H 15 7.882 7.882 7.907 -0.025 19713 2443 1 9 . 1 1 16 16 PHE N N 16 120.765 120.765 118.686 2.079 19713 2444 1 9 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.399 -0.787 19713 2445 1 9 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.550 -1.409 19713 2446 1 9 . 1 1 16 16 PHE CB C 16 38.658 38.658 38.923 -0.265 19713 2447 1 9 . 1 1 16 16 PHE H H 16 8.150 8.150 8.348 -0.198 19713 2448 1 9 . 1 1 17 17 VAL N N 17 120.622 120.622 115.850 4.772 19713 2449 1 9 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.587 -0.376 19713 2450 1 9 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.074 2.561 19713 2451 1 9 . 1 1 17 17 VAL CB C 17 31.503 31.503 30.525 0.978 19713 2452 1 9 . 1 1 17 17 VAL H H 17 8.193 8.193 8.003 0.190 19713 2453 1 9 . 1 1 18 18 ASP N N 18 123.142 123.142 122.330 0.812 19713 2454 1 9 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.363 0.030 19713 2455 1 9 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.298 0.251 19713 2456 1 9 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.938 -1.116 19713 2457 1 9 . 1 1 18 18 ASP H H 18 9.093 9.093 8.183 0.910 19713 2458 1 9 . 1 1 19 19 TYR N N 19 122.100 122.100 118.599 3.501 19713 2459 1 9 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.367 0.022 19713 2460 1 9 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.154 0.640 19713 2461 1 9 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.020 -0.033 19713 2462 1 9 . 1 1 19 19 TYR H H 19 8.142 8.142 8.010 0.132 19713 2463 1 9 . 1 1 20 20 MET N N 20 119.265 119.265 116.463 2.802 19713 2464 1 9 . 1 1 20 20 MET HA H 20 3.987 3.987 3.759 0.228 19713 2465 1 9 . 1 1 20 20 MET CA C 20 56.147 56.147 57.197 -1.050 19713 2466 1 9 . 1 1 20 20 MET CB C 20 28.818 28.818 32.274 -3.456 19713 2467 1 9 . 1 1 20 20 MET H H 20 8.421 8.421 7.439 0.982 19713 2468 1 9 . 1 1 21 21 ALA N N 21 124.076 124.076 122.451 1.625 19713 2469 1 9 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.232 -0.137 19713 2470 1 9 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.942 0.598 19713 2471 1 9 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.247 -0.931 19713 2472 1 9 . 1 1 21 21 ALA H H 21 8.107 8.107 7.864 0.243 19713 2473 1 9 . 1 1 22 22 THR N N 22 111.538 111.538 112.719 -1.181 19713 2474 1 9 . 1 1 22 22 THR HA H 22 4.236 4.236 4.107 0.129 19713 2475 1 9 . 1 1 22 22 THR CA C 22 64.631 64.631 65.032 -0.401 19713 2476 1 9 . 1 1 22 22 THR CB C 22 69.311 69.311 68.487 0.824 19713 2477 1 9 . 1 1 22 22 THR H H 22 7.590 7.590 7.808 -0.218 19713 2478 1 9 . 1 1 23 23 GLN N N 23 118.055 118.055 118.094 -0.039 19713 2479 1 9 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.398 -0.037 19713 2480 1 9 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.704 -1.971 19713 2481 1 9 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.209 -0.362 19713 2482 1 9 . 1 1 23 23 GLN H H 23 7.219 7.219 7.789 -0.570 19713 2483 1 9 . 1 1 24 24 GLY N N 24 106.367 106.367 107.451 -1.084 19713 2484 1 9 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.068 0.416 19713 2485 1 9 . 1 1 24 24 GLY H H 24 7.641 7.641 7.850 -0.209 19713 2486 1 9 . 1 1 25 25 VAL N N 25 120.869 120.869 121.388 -0.519 19713 2487 1 9 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.359 -0.097 19713 2488 1 9 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.372 0.508 19713 2489 1 9 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.667 1.163 19713 2490 1 9 . 1 1 25 25 VAL H H 25 7.664 7.664 8.081 -0.417 19713 2491 1 9 . 1 1 26 26 ILE N N 26 128.372 128.372 127.860 0.512 19713 2492 1 9 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.124 -0.201 19713 2493 1 9 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.289 -0.294 19713 2494 1 9 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.296 -0.360 19713 2495 1 9 . 1 1 26 26 ILE H H 26 9.003 9.003 8.418 0.585 19713 2496 1 9 . 1 1 27 27 LEU N N 27 130.068 130.068 126.380 3.688 19713 2497 1 9 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.701 0.513 19713 2498 1 9 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.341 -0.318 19713 2499 1 9 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.392 0.411 19713 2500 1 9 . 1 1 27 27 LEU H H 27 8.291 8.291 8.387 -0.096 19713 2501 1 9 . 1 1 28 28 THR N N 28 111.171 111.171 115.690 -4.519 19713 2502 1 9 . 1 1 28 28 THR HA H 28 4.763 4.763 4.526 0.237 19713 2503 1 9 . 1 1 28 28 THR CA C 28 60.132 60.132 61.440 -1.308 19713 2504 1 9 . 1 1 28 28 THR CB C 28 71.760 71.760 70.397 1.363 19713 2505 1 9 . 1 1 28 28 THR H H 28 8.948 8.948 8.246 0.702 19713 2506 1 9 . 1 1 29 29 ILE N N 29 121.390 121.390 122.343 -0.953 19713 2507 1 9 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.426 0.884 19713 2508 1 9 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.261 -0.353 19713 2509 1 9 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.264 1.504 19713 2510 1 9 . 1 1 29 29 ILE H H 29 8.713 8.713 8.428 0.285 19713 2511 1 9 . 1 1 30 30 GLN N N 30 127.776 127.776 124.407 3.369 19713 2512 1 9 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.560 0.212 19713 2513 1 9 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.251 -0.622 19713 2514 1 9 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.639 1.670 19713 2515 1 9 . 1 1 30 30 GLN H H 30 9.518 9.518 8.506 1.012 19713 2516 1 9 . 1 1 31 31 GLN N N 31 125.893 125.893 123.345 2.548 19713 2517 1 9 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.511 0.752 19713 2518 1 9 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.492 -0.482 19713 2519 1 9 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.360 1.036 19713 2520 1 9 . 1 1 31 31 GLN H H 31 9.029 9.029 8.641 0.388 19713 2521 1 9 . 1 1 32 32 HIS N N 32 121.451 121.451 124.472 -3.021 19713 2522 1 9 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.579 0.387 19713 2523 1 9 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.086 -1.572 19713 2524 1 9 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.649 0.012 19713 2525 1 9 . 1 1 32 32 HIS H H 32 8.912 8.912 8.590 0.322 19713 2526 1 9 . 1 1 33 33 ASN N N 33 121.954 121.954 118.627 3.327 19713 2527 1 9 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.695 0.505 19713 2528 1 9 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.843 0.263 19713 2529 1 9 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.804 0.644 19713 2530 1 9 . 1 1 33 33 ASN H H 33 8.940 8.940 8.648 0.292 19713 2531 1 9 . 1 1 34 34 GLN N N 34 123.175 123.175 122.978 0.197 19713 2532 1 9 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.660 -0.041 19713 2533 1 9 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.991 -0.409 19713 2534 1 9 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.249 0.926 19713 2535 1 9 . 1 1 34 34 GLN H H 34 8.648 8.648 8.579 0.069 19713 2536 1 9 . 1 1 35 35 SER N N 35 118.568 118.568 120.571 -2.003 19713 2537 1 9 . 1 1 35 35 SER HA H 35 4.784 4.784 4.604 0.180 19713 2538 1 9 . 1 1 35 35 SER CA C 35 57.693 57.693 58.095 -0.402 19713 2539 1 9 . 1 1 35 35 SER CB C 35 64.218 64.218 63.768 0.450 19713 2540 1 9 . 1 1 35 35 SER H H 35 8.744 8.744 8.453 0.291 19713 2541 1 9 . 1 1 36 36 ASP N N 36 127.988 127.988 126.468 1.520 19713 2542 1 9 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.786 0.201 19713 2543 1 9 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.838 0.294 19713 2544 1 9 . 1 1 36 36 ASP CB C 36 41.904 41.904 42.007 -0.103 19713 2545 1 9 . 1 1 36 36 ASP H H 36 8.909 8.909 8.588 0.321 19713 2546 1 9 . 1 1 37 37 VAL N N 37 122.751 122.751 124.442 -1.691 19713 2547 1 9 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.419 0.558 19713 2548 1 9 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.431 0.390 19713 2549 1 9 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.113 0.986 19713 2550 1 9 . 1 1 37 37 VAL H H 37 8.691 8.691 8.435 0.256 19713 2551 1 9 . 1 1 38 38 TRP N N 38 128.913 128.913 127.580 1.333 19713 2552 1 9 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.002 0.080 19713 2553 1 9 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.440 1.333 19713 2554 1 9 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.482 2.726 19713 2555 1 9 . 1 1 38 38 TRP H H 38 9.644 9.644 7.796 1.848 19713 2556 1 9 . 1 1 39 39 LEU N N 39 122.523 122.523 121.879 0.644 19713 2557 1 9 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.675 0.176 19713 2558 1 9 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.002 -1.595 19713 2559 1 9 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.559 2.339 19713 2560 1 9 . 1 1 39 39 LEU H H 39 9.378 9.378 8.339 1.039 19713 2561 1 9 . 1 1 40 40 ALA N N 40 129.759 129.759 125.170 4.589 19713 2562 1 9 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.381 0.197 19713 2563 1 9 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.275 2.016 19713 2564 1 9 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.303 -0.267 19713 2565 1 9 . 1 1 40 40 ALA H H 40 8.806 8.806 8.259 0.547 19713 2566 1 9 . 1 1 41 41 ASP N N 41 115.611 115.611 119.281 -3.670 19713 2567 1 9 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.623 0.202 19713 2568 1 9 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.252 -1.235 19713 2569 1 9 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.803 -1.186 19713 2570 1 9 . 1 1 41 41 ASP H H 41 7.774 7.774 8.320 -0.546 19713 2571 1 9 . 1 1 42 42 GLU N N 42 123.031 123.031 124.677 -1.646 19713 2572 1 9 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.963 -0.329 19713 2573 1 9 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.636 0.053 19713 2574 1 9 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.626 -0.993 19713 2575 1 9 . 1 1 42 42 GLU H H 42 8.508 8.508 8.256 0.252 19713 2576 1 9 . 1 1 43 43 SER N N 43 116.358 116.358 115.654 0.704 19713 2577 1 9 . 1 1 43 43 SER HA H 43 4.373 4.373 4.170 0.203 19713 2578 1 9 . 1 1 43 43 SER CA C 43 61.171 61.171 61.321 -0.150 19713 2579 1 9 . 1 1 43 43 SER CB C 43 62.526 62.526 62.617 -0.091 19713 2580 1 9 . 1 1 43 43 SER H H 43 8.325 8.325 8.111 0.214 19713 2581 1 9 . 1 1 44 44 GLN N N 44 118.846 118.846 119.082 -0.236 19713 2582 1 9 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.417 0.245 19713 2583 1 9 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.441 -1.968 19713 2584 1 9 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.458 -0.323 19713 2585 1 9 . 1 1 44 44 GLN H H 44 7.741 7.741 7.988 -0.247 19713 2586 1 9 . 1 1 45 45 ALA N N 45 122.785 122.785 122.804 -0.019 19713 2587 1 9 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.988 -0.438 19713 2588 1 9 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.495 1.468 19713 2589 1 9 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.224 0.573 19713 2590 1 9 . 1 1 45 45 ALA H H 45 7.567 7.567 7.839 -0.272 19713 2591 1 9 . 1 1 46 46 GLU N N 46 116.794 116.794 117.947 -1.153 19713 2592 1 9 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.987 0.045 19713 2593 1 9 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.652 0.168 19713 2594 1 9 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.100 -0.412 19713 2595 1 9 . 1 1 46 46 GLU H H 46 8.686 8.686 8.010 0.676 19713 2596 1 9 . 1 1 47 47 ARG N N 47 122.101 122.101 120.433 1.668 19713 2597 1 9 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.073 0.172 19713 2598 1 9 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.062 -0.249 19713 2599 1 9 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.016 0.050 19713 2600 1 9 . 1 1 47 47 ARG H H 47 8.042 8.042 8.019 0.023 19713 2601 1 9 . 1 1 48 48 VAL N N 48 118.395 118.395 116.217 2.178 19713 2602 1 9 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.605 0.045 19713 2603 1 9 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.048 0.914 19713 2604 1 9 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.091 0.163 19713 2605 1 9 . 1 1 48 48 VAL H H 48 8.466 8.466 8.175 0.291 19713 2606 1 9 . 1 1 49 49 ARG N N 49 119.126 119.126 120.674 -1.548 19713 2607 1 9 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.940 -0.069 19713 2608 1 9 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.757 0.999 19713 2609 1 9 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.870 -0.311 19713 2610 1 9 . 1 1 49 49 ARG H H 49 8.604 8.604 7.966 0.638 19713 2611 1 9 . 1 1 50 50 ALA N N 50 123.287 123.287 121.820 1.467 19713 2612 1 9 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.054 0.220 19713 2613 1 9 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.242 -0.120 19713 2614 1 9 . 1 1 50 50 ALA CB C 50 18.008 18.008 17.998 0.010 19713 2615 1 9 . 1 1 50 50 ALA H H 50 8.081 8.081 8.055 0.026 19713 2616 1 9 . 1 1 51 51 GLU N N 51 118.576 118.576 118.553 0.023 19713 2617 1 9 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.984 0.465 19713 2618 1 9 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.752 -0.411 19713 2619 1 9 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.147 0.971 19713 2620 1 9 . 1 1 51 51 GLU H H 51 8.386 8.386 7.944 0.442 19713 2621 1 9 . 1 1 52 52 LEU N N 52 122.397 122.397 120.604 1.793 19713 2622 1 9 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.948 -0.010 19713 2623 1 9 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.299 -0.554 19713 2624 1 9 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.775 -0.532 19713 2625 1 9 . 1 1 52 52 LEU H H 52 8.976 8.976 8.343 0.633 19713 2626 1 9 . 1 1 53 53 ALA N N 53 119.025 119.025 120.680 -1.655 19713 2627 1 9 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.918 0.136 19713 2628 1 9 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.242 -0.148 19713 2629 1 9 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.135 -0.538 19713 2630 1 9 . 1 1 53 53 ALA H H 53 7.418 7.418 8.104 -0.686 19713 2631 1 9 . 1 1 54 54 ARG N N 54 116.311 116.311 116.910 -0.599 19713 2632 1 9 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.143 -0.007 19713 2633 1 9 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.608 0.078 19713 2634 1 9 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.214 0.226 19713 2635 1 9 . 1 1 54 54 ARG H H 54 7.316 7.316 7.848 -0.532 19713 2636 1 9 . 1 1 55 55 PHE N N 55 122.048 122.048 119.966 2.082 19713 2637 1 9 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.413 -0.380 19713 2638 1 9 . 1 1 55 55 PHE CA C 55 60.786 60.786 60.007 0.779 19713 2639 1 9 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.608 0.448 19713 2640 1 9 . 1 1 55 55 PHE H H 55 8.729 8.729 7.800 0.929 19713 2641 1 9 . 1 1 56 56 LEU N N 56 116.538 116.538 121.037 -4.499 19713 2642 1 9 . 1 1 56 56 LEU HA H 56 4.043 4.043 4.053 -0.010 19713 2643 1 9 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.511 -1.794 19713 2644 1 9 . 1 1 56 56 LEU CB C 56 42.035 42.035 40.918 1.117 19713 2645 1 9 . 1 1 56 56 LEU H H 56 8.133 8.133 8.350 -0.217 19713 2646 1 9 . 1 1 57 57 GLU N N 57 118.454 118.454 116.858 1.596 19713 2647 1 9 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.182 -0.078 19713 2648 1 9 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.730 0.824 19713 2649 1 9 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.761 0.265 19713 2650 1 9 . 1 1 57 57 GLU H H 57 7.479 7.479 7.862 -0.383 19713 2651 1 9 . 1 1 58 58 ASN N N 58 116.134 116.134 119.701 -3.567 19713 2652 1 9 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.019 -0.113 19713 2653 1 9 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.105 1.059 19713 2654 1 9 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.160 0.651 19713 2655 1 9 . 1 1 58 58 ASN H H 58 7.722 7.722 7.557 0.165 19713 2656 1 9 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.367 -0.277 19713 2657 1 9 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.371 0.512 19713 2658 1 9 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.177 1.679 19713 2659 1 9 . 1 1 60 60 ALA N N 60 123.290 123.290 126.257 -2.967 19713 2660 1 9 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.277 -0.081 19713 2661 1 9 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.631 0.246 19713 2662 1 9 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.067 -1.169 19713 2663 1 9 . 1 1 60 60 ALA H H 60 7.995 7.995 8.210 -0.215 19713 2664 1 9 . 1 1 61 61 ASP N N 61 118.409 118.409 120.089 -1.680 19713 2665 1 9 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.455 0.119 19713 2666 1 9 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.339 -2.065 19713 2667 1 9 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.319 -0.432 19713 2668 1 9 . 1 1 61 61 ASP H H 61 7.985 7.985 8.222 -0.237 19713 2669 1 9 . 1 1 62 62 LEU N N 62 121.754 121.754 119.515 2.239 19713 2670 1 9 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.266 -0.096 19713 2671 1 9 . 1 1 62 62 LEU CA C 62 55.673 55.673 55.950 -0.277 19713 2672 1 9 . 1 1 62 62 LEU CB C 62 41.992 41.992 40.860 1.132 19713 2673 1 9 . 1 1 62 62 LEU H H 62 7.921 7.921 7.907 0.014 19713 2674 1 10 . 1 1 2 2 LEU N N 2 123.873 123.873 125.580 -1.707 19713 2675 1 10 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.712 0.128 19713 2676 1 10 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.598 -0.899 19713 2677 1 10 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.283 3.260 19713 2678 1 10 . 1 1 2 2 LEU H H 2 8.977 8.977 8.299 0.678 19713 2679 1 10 . 1 1 3 3 MET N N 3 128.873 128.873 124.654 4.219 19713 2680 1 10 . 1 1 3 3 MET HA H 3 3.402 3.402 4.449 -1.047 19713 2681 1 10 . 1 1 3 3 MET CA C 3 55.648 55.648 56.009 -0.361 19713 2682 1 10 . 1 1 3 3 MET CB C 3 31.068 31.068 32.978 -1.910 19713 2683 1 10 . 1 1 3 3 MET H H 3 8.669 8.669 8.473 0.196 19713 2684 1 10 . 1 1 4 4 ILE N N 4 127.600 127.600 123.553 4.047 19713 2685 1 10 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.103 -0.180 19713 2686 1 10 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.011 -2.347 19713 2687 1 10 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.904 -0.030 19713 2688 1 10 . 1 1 4 4 ILE H H 4 8.843 8.843 8.506 0.337 19713 2689 1 10 . 1 1 5 5 THR N N 5 109.859 109.859 110.870 -1.011 19713 2690 1 10 . 1 1 5 5 THR HA H 5 4.232 4.232 4.223 0.009 19713 2691 1 10 . 1 1 5 5 THR CA C 5 60.044 60.044 61.580 -1.536 19713 2692 1 10 . 1 1 5 5 THR CB C 5 98.915 98.915 69.128 29.787 19713 2693 1 10 . 1 1 5 5 THR H H 5 7.255 7.255 7.476 -0.221 19713 2694 1 10 . 1 1 6 6 SER N N 6 116.037 116.037 116.378 -0.341 19713 2695 1 10 . 1 1 6 6 SER HA H 6 5.353 5.353 4.513 0.840 19713 2696 1 10 . 1 1 6 6 SER CA C 6 56.774 56.774 57.669 -0.895 19713 2697 1 10 . 1 1 6 6 SER CB C 6 64.813 64.813 63.877 0.936 19713 2698 1 10 . 1 1 6 6 SER H H 6 7.717 7.717 7.959 -0.242 19713 2699 1 10 . 1 1 7 7 PHE N N 7 121.810 121.810 124.468 -2.658 19713 2700 1 10 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.645 0.266 19713 2701 1 10 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.492 0.271 19713 2702 1 10 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.293 3.130 19713 2703 1 10 . 1 1 7 7 PHE H H 7 8.928 8.928 8.255 0.673 19713 2704 1 10 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.470 0.125 19713 2705 1 10 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.080 1.498 19713 2706 1 10 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.055 -0.005 19713 2707 1 10 . 1 1 9 9 ASN N N 9 116.543 116.543 117.641 -1.098 19713 2708 1 10 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.939 0.311 19713 2709 1 10 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.156 -2.483 19713 2710 1 10 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.374 -0.616 19713 2711 1 10 . 1 1 9 9 ASN H H 9 8.133 8.133 8.069 0.064 19713 2712 1 10 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.501 -0.163 19713 2713 1 10 . 1 1 10 10 PRO CA C 10 64.578 64.578 64.920 -0.342 19713 2714 1 10 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.424 -0.069 19713 2715 1 10 . 1 1 11 11 ARG N N 11 118.730 118.730 119.429 -0.699 19713 2716 1 10 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.093 0.061 19713 2717 1 10 . 1 1 11 11 ARG CA C 11 58.851 58.851 58.885 -0.034 19713 2718 1 10 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.070 0.533 19713 2719 1 10 . 1 1 11 11 ARG H H 11 8.091 8.091 8.742 -0.651 19713 2720 1 10 . 1 1 12 12 VAL N N 12 122.396 122.396 118.501 3.895 19713 2721 1 10 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.729 -0.094 19713 2722 1 10 . 1 1 12 12 VAL CA C 12 65.532 65.532 66.001 -0.469 19713 2723 1 10 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.923 0.839 19713 2724 1 10 . 1 1 12 12 VAL H H 12 7.235 7.235 7.933 -0.698 19713 2725 1 10 . 1 1 13 13 ALA N N 13 119.674 119.674 122.187 -2.513 19713 2726 1 10 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.084 -0.960 19713 2727 1 10 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.711 -0.996 19713 2728 1 10 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.006 0.751 19713 2729 1 10 . 1 1 13 13 ALA H H 13 6.857 6.857 7.917 -1.060 19713 2730 1 10 . 1 1 14 14 GLN N N 14 115.202 115.202 119.293 -4.091 19713 2731 1 10 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.039 -0.356 19713 2732 1 10 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.294 -0.506 19713 2733 1 10 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.202 0.205 19713 2734 1 10 . 1 1 14 14 GLN H H 14 7.800 7.800 8.447 -0.647 19713 2735 1 10 . 1 1 15 15 ALA N N 15 121.416 121.416 122.287 -0.871 19713 2736 1 10 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.006 0.291 19713 2737 1 10 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.057 -0.067 19713 2738 1 10 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.940 -0.204 19713 2739 1 10 . 1 1 15 15 ALA H H 15 7.882 7.882 8.108 -0.226 19713 2740 1 10 . 1 1 16 16 PHE N N 16 120.765 120.765 118.646 2.119 19713 2741 1 10 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.443 -0.831 19713 2742 1 10 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.730 -1.589 19713 2743 1 10 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.336 -0.678 19713 2744 1 10 . 1 1 16 16 PHE H H 16 8.150 8.150 8.604 -0.454 19713 2745 1 10 . 1 1 17 17 VAL N N 17 120.622 120.622 115.303 5.319 19713 2746 1 10 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.564 -0.353 19713 2747 1 10 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.764 1.871 19713 2748 1 10 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.305 0.198 19713 2749 1 10 . 1 1 17 17 VAL H H 17 8.193 8.193 8.212 -0.019 19713 2750 1 10 . 1 1 18 18 ASP N N 18 123.142 123.142 122.582 0.560 19713 2751 1 10 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.376 0.017 19713 2752 1 10 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.747 -0.198 19713 2753 1 10 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.094 -1.272 19713 2754 1 10 . 1 1 18 18 ASP H H 18 9.093 9.093 8.287 0.806 19713 2755 1 10 . 1 1 19 19 TYR N N 19 122.100 122.100 118.621 3.479 19713 2756 1 10 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.373 0.016 19713 2757 1 10 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.247 0.547 19713 2758 1 10 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.134 -0.147 19713 2759 1 10 . 1 1 19 19 TYR H H 19 8.142 8.142 8.090 0.052 19713 2760 1 10 . 1 1 20 20 MET N N 20 119.265 119.265 116.524 2.741 19713 2761 1 10 . 1 1 20 20 MET HA H 20 3.987 3.987 3.766 0.221 19713 2762 1 10 . 1 1 20 20 MET CA C 20 56.147 56.147 56.926 -0.779 19713 2763 1 10 . 1 1 20 20 MET CB C 20 28.818 28.818 32.229 -3.411 19713 2764 1 10 . 1 1 20 20 MET H H 20 8.421 8.421 7.490 0.931 19713 2765 1 10 . 1 1 21 21 ALA N N 21 124.076 124.076 122.081 1.995 19713 2766 1 10 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.251 -0.156 19713 2767 1 10 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.799 0.741 19713 2768 1 10 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.299 -0.983 19713 2769 1 10 . 1 1 21 21 ALA H H 21 8.107 8.107 7.970 0.137 19713 2770 1 10 . 1 1 22 22 THR N N 22 111.538 111.538 112.823 -1.285 19713 2771 1 10 . 1 1 22 22 THR HA H 22 4.236 4.236 4.135 0.101 19713 2772 1 10 . 1 1 22 22 THR CA C 22 64.631 64.631 64.613 0.018 19713 2773 1 10 . 1 1 22 22 THR CB C 22 69.311 69.311 68.869 0.442 19713 2774 1 10 . 1 1 22 22 THR H H 22 7.590 7.590 7.863 -0.273 19713 2775 1 10 . 1 1 23 23 GLN N N 23 118.055 118.055 118.400 -0.345 19713 2776 1 10 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.394 -0.033 19713 2777 1 10 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.596 -1.863 19713 2778 1 10 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.235 -0.388 19713 2779 1 10 . 1 1 23 23 GLN H H 23 7.219 7.219 7.435 -0.216 19713 2780 1 10 . 1 1 24 24 GLY N N 24 106.367 106.367 107.534 -1.167 19713 2781 1 10 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.062 0.422 19713 2782 1 10 . 1 1 24 24 GLY H H 24 7.641 7.641 7.799 -0.158 19713 2783 1 10 . 1 1 25 25 VAL N N 25 120.869 120.869 121.199 -0.330 19713 2784 1 10 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.349 -0.087 19713 2785 1 10 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.437 0.443 19713 2786 1 10 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.941 0.889 19713 2787 1 10 . 1 1 25 25 VAL H H 25 7.664 7.664 8.132 -0.468 19713 2788 1 10 . 1 1 26 26 ILE N N 26 128.372 128.372 127.666 0.706 19713 2789 1 10 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.103 -0.180 19713 2790 1 10 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.276 -0.281 19713 2791 1 10 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.539 -0.603 19713 2792 1 10 . 1 1 26 26 ILE H H 26 9.003 9.003 8.410 0.593 19713 2793 1 10 . 1 1 27 27 LEU N N 27 130.068 130.068 127.418 2.650 19713 2794 1 10 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.769 0.445 19713 2795 1 10 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.474 -0.452 19713 2796 1 10 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.562 0.242 19713 2797 1 10 . 1 1 27 27 LEU H H 27 8.291 8.291 8.338 -0.047 19713 2798 1 10 . 1 1 28 28 THR N N 28 111.171 111.171 115.882 -4.711 19713 2799 1 10 . 1 1 28 28 THR HA H 28 4.763 4.763 4.528 0.235 19713 2800 1 10 . 1 1 28 28 THR CA C 28 60.132 60.132 61.450 -1.318 19713 2801 1 10 . 1 1 28 28 THR CB C 28 71.760 71.760 70.395 1.365 19713 2802 1 10 . 1 1 28 28 THR H H 28 8.948 8.948 8.240 0.708 19713 2803 1 10 . 1 1 29 29 ILE N N 29 121.390 121.390 122.436 -1.046 19713 2804 1 10 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.423 0.887 19713 2805 1 10 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.225 -0.317 19713 2806 1 10 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.196 1.572 19713 2807 1 10 . 1 1 29 29 ILE H H 29 8.713 8.713 8.441 0.272 19713 2808 1 10 . 1 1 30 30 GLN N N 30 127.776 127.776 124.323 3.453 19713 2809 1 10 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.566 0.206 19713 2810 1 10 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.228 -0.599 19713 2811 1 10 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.823 1.486 19713 2812 1 10 . 1 1 30 30 GLN H H 30 9.518 9.518 8.548 0.970 19713 2813 1 10 . 1 1 31 31 GLN N N 31 125.893 125.893 122.955 2.938 19713 2814 1 10 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.460 0.803 19713 2815 1 10 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.636 -0.626 19713 2816 1 10 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.182 1.214 19713 2817 1 10 . 1 1 31 31 GLN H H 31 9.029 9.029 8.638 0.391 19713 2818 1 10 . 1 1 32 32 HIS N N 32 121.451 121.451 123.953 -2.502 19713 2819 1 10 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.346 0.620 19713 2820 1 10 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.447 -1.933 19713 2821 1 10 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.787 -0.126 19713 2822 1 10 . 1 1 32 32 HIS H H 32 8.912 8.912 8.651 0.261 19713 2823 1 10 . 1 1 33 33 ASN N N 33 121.954 121.954 118.049 3.905 19713 2824 1 10 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.887 0.313 19713 2825 1 10 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.627 0.479 19713 2826 1 10 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.417 0.031 19713 2827 1 10 . 1 1 33 33 ASN H H 33 8.940 8.940 8.671 0.269 19713 2828 1 10 . 1 1 34 34 GLN N N 34 123.175 123.175 121.620 1.555 19713 2829 1 10 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.923 -0.304 19713 2830 1 10 . 1 1 34 34 GLN CA C 34 55.582 55.582 54.852 0.730 19713 2831 1 10 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.910 0.265 19713 2832 1 10 . 1 1 34 34 GLN H H 34 8.648 8.648 8.953 -0.305 19713 2833 1 10 . 1 1 35 35 SER N N 35 118.568 118.568 116.665 1.903 19713 2834 1 10 . 1 1 35 35 SER HA H 35 4.784 4.784 4.718 0.066 19713 2835 1 10 . 1 1 35 35 SER CA C 35 57.693 57.693 57.961 -0.268 19713 2836 1 10 . 1 1 35 35 SER CB C 35 64.218 64.218 64.141 0.077 19713 2837 1 10 . 1 1 35 35 SER H H 35 8.744 8.744 8.270 0.474 19713 2838 1 10 . 1 1 36 36 ASP N N 36 127.988 127.988 125.745 2.243 19713 2839 1 10 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.868 0.119 19713 2840 1 10 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.871 0.261 19713 2841 1 10 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.831 0.073 19713 2842 1 10 . 1 1 36 36 ASP H H 36 8.909 8.909 8.619 0.290 19713 2843 1 10 . 1 1 37 37 VAL N N 37 122.751 122.751 122.963 -0.212 19713 2844 1 10 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.411 0.566 19713 2845 1 10 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.582 0.239 19713 2846 1 10 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.156 0.943 19713 2847 1 10 . 1 1 37 37 VAL H H 37 8.691 8.691 8.476 0.215 19713 2848 1 10 . 1 1 38 38 TRP N N 38 128.913 128.913 127.828 1.085 19713 2849 1 10 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.063 0.019 19713 2850 1 10 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.677 1.096 19713 2851 1 10 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.563 2.645 19713 2852 1 10 . 1 1 38 38 TRP H H 38 9.644 9.644 7.791 1.853 19713 2853 1 10 . 1 1 39 39 LEU N N 39 122.523 122.523 121.598 0.925 19713 2854 1 10 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.673 0.178 19713 2855 1 10 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.077 -1.670 19713 2856 1 10 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.584 2.314 19713 2857 1 10 . 1 1 39 39 LEU H H 39 9.378 9.378 8.348 1.030 19713 2858 1 10 . 1 1 40 40 ALA N N 40 129.759 129.759 125.711 4.048 19713 2859 1 10 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.369 0.209 19713 2860 1 10 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.477 1.814 19713 2861 1 10 . 1 1 40 40 ALA CB C 40 19.036 19.036 18.997 0.039 19713 2862 1 10 . 1 1 40 40 ALA H H 40 8.806 8.806 8.263 0.543 19713 2863 1 10 . 1 1 41 41 ASP N N 41 115.611 115.611 119.769 -4.158 19713 2864 1 10 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.627 0.198 19713 2865 1 10 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.714 -1.696 19713 2866 1 10 . 1 1 41 41 ASP CB C 41 38.617 38.617 40.113 -1.496 19713 2867 1 10 . 1 1 41 41 ASP H H 41 7.774 7.774 8.422 -0.648 19713 2868 1 10 . 1 1 42 42 GLU N N 42 123.031 123.031 123.671 -0.640 19713 2869 1 10 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.982 -0.348 19713 2870 1 10 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.679 0.010 19713 2871 1 10 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.609 -0.976 19713 2872 1 10 . 1 1 42 42 GLU H H 42 8.508 8.508 8.116 0.392 19713 2873 1 10 . 1 1 43 43 SER N N 43 116.358 116.358 113.372 2.986 19713 2874 1 10 . 1 1 43 43 SER HA H 43 4.373 4.373 4.132 0.241 19713 2875 1 10 . 1 1 43 43 SER CA C 43 61.171 61.171 61.184 -0.013 19713 2876 1 10 . 1 1 43 43 SER CB C 43 62.526 62.526 62.676 -0.150 19713 2877 1 10 . 1 1 43 43 SER H H 43 8.325 8.325 8.558 -0.233 19713 2878 1 10 . 1 1 44 44 GLN N N 44 118.846 118.846 119.125 -0.279 19713 2879 1 10 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.414 0.248 19713 2880 1 10 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.397 -1.924 19713 2881 1 10 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.498 -0.364 19713 2882 1 10 . 1 1 44 44 GLN H H 44 7.741 7.741 8.004 -0.263 19713 2883 1 10 . 1 1 45 45 ALA N N 45 122.785 122.785 123.393 -0.608 19713 2884 1 10 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.979 -0.429 19713 2885 1 10 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.231 1.732 19713 2886 1 10 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.094 0.703 19713 2887 1 10 . 1 1 45 45 ALA H H 45 7.567 7.567 7.905 -0.338 19713 2888 1 10 . 1 1 46 46 GLU N N 46 116.794 116.794 118.132 -1.338 19713 2889 1 10 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.973 0.059 19713 2890 1 10 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.651 0.169 19713 2891 1 10 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.250 -0.562 19713 2892 1 10 . 1 1 46 46 GLU H H 46 8.686 8.686 7.984 0.702 19713 2893 1 10 . 1 1 47 47 ARG N N 47 122.101 122.101 120.563 1.538 19713 2894 1 10 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.058 0.187 19713 2895 1 10 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.074 -0.261 19713 2896 1 10 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.991 0.075 19713 2897 1 10 . 1 1 47 47 ARG H H 47 8.042 8.042 8.072 -0.030 19713 2898 1 10 . 1 1 48 48 VAL N N 48 118.395 118.395 116.687 1.708 19713 2899 1 10 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.599 0.051 19713 2900 1 10 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.328 0.634 19713 2901 1 10 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.172 0.082 19713 2902 1 10 . 1 1 48 48 VAL H H 48 8.466 8.466 8.107 0.359 19713 2903 1 10 . 1 1 49 49 ARG N N 49 119.126 119.126 120.430 -1.304 19713 2904 1 10 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.901 -0.030 19713 2905 1 10 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.842 0.914 19713 2906 1 10 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.850 -0.291 19713 2907 1 10 . 1 1 49 49 ARG H H 49 8.604 8.604 7.859 0.745 19713 2908 1 10 . 1 1 50 50 ALA N N 50 123.287 123.287 121.892 1.395 19713 2909 1 10 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.057 0.217 19713 2910 1 10 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.214 -0.092 19713 2911 1 10 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.012 -0.004 19713 2912 1 10 . 1 1 50 50 ALA H H 50 8.081 8.081 8.027 0.054 19713 2913 1 10 . 1 1 51 51 GLU N N 51 118.576 118.576 118.533 0.043 19713 2914 1 10 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.970 0.479 19713 2915 1 10 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.685 -0.344 19713 2916 1 10 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.066 1.052 19713 2917 1 10 . 1 1 51 51 GLU H H 51 8.386 8.386 7.925 0.461 19713 2918 1 10 . 1 1 52 52 LEU N N 52 122.397 122.397 120.558 1.839 19713 2919 1 10 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.968 -0.030 19713 2920 1 10 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.111 -0.366 19713 2921 1 10 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.783 -0.540 19713 2922 1 10 . 1 1 52 52 LEU H H 52 8.976 8.976 8.412 0.564 19713 2923 1 10 . 1 1 53 53 ALA N N 53 119.025 119.025 120.360 -1.335 19713 2924 1 10 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.930 0.124 19713 2925 1 10 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.108 -0.013 19713 2926 1 10 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.099 -0.503 19713 2927 1 10 . 1 1 53 53 ALA H H 53 7.418 7.418 8.061 -0.643 19713 2928 1 10 . 1 1 54 54 ARG N N 54 116.311 116.311 116.772 -0.461 19713 2929 1 10 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.144 -0.008 19713 2930 1 10 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.452 0.234 19713 2931 1 10 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.384 0.056 19713 2932 1 10 . 1 1 54 54 ARG H H 54 7.316 7.316 7.813 -0.497 19713 2933 1 10 . 1 1 55 55 PHE N N 55 122.048 122.048 120.364 1.684 19713 2934 1 10 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.435 -0.402 19713 2935 1 10 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.208 1.578 19713 2936 1 10 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.804 0.252 19713 2937 1 10 . 1 1 55 55 PHE H H 55 8.729 8.729 7.966 0.763 19713 2938 1 10 . 1 1 56 56 LEU N N 56 116.538 116.538 121.315 -4.777 19713 2939 1 10 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.977 0.066 19713 2940 1 10 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.701 -1.984 19713 2941 1 10 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.019 1.016 19713 2942 1 10 . 1 1 56 56 LEU H H 56 8.133 8.133 8.308 -0.175 19713 2943 1 10 . 1 1 57 57 GLU N N 57 118.454 118.454 116.445 2.009 19713 2944 1 10 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.173 -0.069 19713 2945 1 10 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.686 0.868 19713 2946 1 10 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.649 0.377 19713 2947 1 10 . 1 1 57 57 GLU H H 57 7.479 7.479 7.934 -0.455 19713 2948 1 10 . 1 1 58 58 ASN N N 58 116.134 116.134 119.666 -3.532 19713 2949 1 10 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.987 -0.081 19713 2950 1 10 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.221 0.944 19713 2951 1 10 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.862 -0.051 19713 2952 1 10 . 1 1 58 58 ASN H H 58 7.722 7.722 7.646 0.076 19713 2953 1 10 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.245 -0.155 19713 2954 1 10 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.404 0.479 19713 2955 1 10 . 1 1 59 59 PRO CB C 59 31.856 31.856 29.936 1.920 19713 2956 1 10 . 1 1 60 60 ALA N N 60 123.290 123.290 127.278 -3.988 19713 2957 1 10 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.321 -0.125 19713 2958 1 10 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.750 0.127 19713 2959 1 10 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.070 -1.172 19713 2960 1 10 . 1 1 60 60 ALA H H 60 7.995 7.995 7.954 0.041 19713 2961 1 10 . 1 1 61 61 ASP N N 61 118.409 118.409 120.131 -1.722 19713 2962 1 10 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.461 0.114 19713 2963 1 10 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.805 -2.531 19713 2964 1 10 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.360 -0.473 19713 2965 1 10 . 1 1 61 61 ASP H H 61 7.985 7.985 8.426 -0.441 19713 2966 1 10 . 1 1 62 62 LEU N N 62 121.754 121.754 116.851 4.903 19713 2967 1 10 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.219 -0.049 19713 2968 1 10 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.113 -1.440 19713 2969 1 10 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.273 0.719 19713 2970 1 10 . 1 1 62 62 LEU H H 62 7.921 7.921 8.192 -0.271 19713 2971 1 11 . 1 1 2 2 LEU N N 2 123.873 123.873 125.587 -1.714 19713 2972 1 11 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.711 0.129 19713 2973 1 11 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.531 -0.832 19713 2974 1 11 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.168 3.375 19713 2975 1 11 . 1 1 2 2 LEU H H 2 8.977 8.977 8.327 0.650 19713 2976 1 11 . 1 1 3 3 MET N N 3 128.873 128.873 124.596 4.277 19713 2977 1 11 . 1 1 3 3 MET HA H 3 3.402 3.402 4.444 -1.042 19713 2978 1 11 . 1 1 3 3 MET CA C 3 55.648 55.648 55.946 -0.298 19713 2979 1 11 . 1 1 3 3 MET CB C 3 31.068 31.068 32.947 -1.879 19713 2980 1 11 . 1 1 3 3 MET H H 3 8.669 8.669 8.485 0.184 19713 2981 1 11 . 1 1 4 4 ILE N N 4 127.600 127.600 123.085 4.515 19713 2982 1 11 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.051 -0.128 19713 2983 1 11 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.008 -2.344 19713 2984 1 11 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.858 0.016 19713 2985 1 11 . 1 1 4 4 ILE H H 4 8.843 8.843 8.493 0.350 19713 2986 1 11 . 1 1 5 5 THR N N 5 109.859 109.859 110.791 -0.932 19713 2987 1 11 . 1 1 5 5 THR HA H 5 4.232 4.232 4.235 -0.003 19713 2988 1 11 . 1 1 5 5 THR CA C 5 60.044 60.044 61.452 -1.408 19713 2989 1 11 . 1 1 5 5 THR CB C 5 98.915 98.915 68.699 30.216 19713 2990 1 11 . 1 1 5 5 THR H H 5 7.255 7.255 7.458 -0.203 19713 2991 1 11 . 1 1 6 6 SER N N 6 116.037 116.037 116.239 -0.202 19713 2992 1 11 . 1 1 6 6 SER HA H 6 5.353 5.353 4.503 0.850 19713 2993 1 11 . 1 1 6 6 SER CA C 6 56.774 56.774 57.729 -0.955 19713 2994 1 11 . 1 1 6 6 SER CB C 6 64.813 64.813 63.813 1.000 19713 2995 1 11 . 1 1 6 6 SER H H 6 7.717 7.717 7.980 -0.263 19713 2996 1 11 . 1 1 7 7 PHE N N 7 121.810 121.810 124.791 -2.981 19713 2997 1 11 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.640 0.271 19713 2998 1 11 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.311 0.452 19713 2999 1 11 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.199 3.224 19713 3000 1 11 . 1 1 7 7 PHE H H 7 8.928 8.928 8.232 0.696 19713 3001 1 11 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.504 0.091 19713 3002 1 11 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.957 1.621 19713 3003 1 11 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.106 -0.056 19713 3004 1 11 . 1 1 9 9 ASN N N 9 116.543 116.543 117.427 -0.884 19713 3005 1 11 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.904 0.346 19713 3006 1 11 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.356 -2.684 19713 3007 1 11 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.322 -0.563 19713 3008 1 11 . 1 1 9 9 ASN H H 9 8.133 8.133 8.047 0.086 19713 3009 1 11 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.481 -0.143 19713 3010 1 11 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.028 -0.450 19713 3011 1 11 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.210 0.145 19713 3012 1 11 . 1 1 11 11 ARG N N 11 118.730 118.730 119.759 -1.029 19713 3013 1 11 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.044 0.110 19713 3014 1 11 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.639 -0.788 19713 3015 1 11 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.229 0.374 19713 3016 1 11 . 1 1 11 11 ARG H H 11 8.091 8.091 8.729 -0.638 19713 3017 1 11 . 1 1 12 12 VAL N N 12 122.396 122.396 119.210 3.186 19713 3018 1 11 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.669 -0.034 19713 3019 1 11 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.472 0.060 19713 3020 1 11 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.171 0.591 19713 3021 1 11 . 1 1 12 12 VAL H H 12 7.235 7.235 7.896 -0.661 19713 3022 1 11 . 1 1 13 13 ALA N N 13 119.674 119.674 122.202 -2.528 19713 3023 1 11 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.089 -0.965 19713 3024 1 11 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.769 -1.054 19713 3025 1 11 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.040 0.717 19713 3026 1 11 . 1 1 13 13 ALA H H 13 6.857 6.857 7.740 -0.883 19713 3027 1 11 . 1 1 14 14 GLN N N 14 115.202 115.202 119.203 -4.001 19713 3028 1 11 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.022 -0.339 19713 3029 1 11 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.237 -0.449 19713 3030 1 11 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.193 0.214 19713 3031 1 11 . 1 1 14 14 GLN H H 14 7.800 7.800 8.375 -0.575 19713 3032 1 11 . 1 1 15 15 ALA N N 15 121.416 121.416 122.496 -1.080 19713 3033 1 11 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.031 0.266 19713 3034 1 11 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.099 -0.109 19713 3035 1 11 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.953 -0.217 19713 3036 1 11 . 1 1 15 15 ALA H H 15 7.882 7.882 7.957 -0.075 19713 3037 1 11 . 1 1 16 16 PHE N N 16 120.765 120.765 118.472 2.293 19713 3038 1 11 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.456 -0.844 19713 3039 1 11 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.986 -1.845 19713 3040 1 11 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.147 -0.489 19713 3041 1 11 . 1 1 16 16 PHE H H 16 8.150 8.150 8.674 -0.524 19713 3042 1 11 . 1 1 17 17 VAL N N 17 120.622 120.622 117.881 2.741 19713 3043 1 11 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.517 -0.306 19713 3044 1 11 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.295 1.340 19713 3045 1 11 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.551 -0.048 19713 3046 1 11 . 1 1 17 17 VAL H H 17 8.193 8.193 8.269 -0.076 19713 3047 1 11 . 1 1 18 18 ASP N N 18 123.142 123.142 121.957 1.185 19713 3048 1 11 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.368 0.025 19713 3049 1 11 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.514 0.035 19713 3050 1 11 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.843 -1.021 19713 3051 1 11 . 1 1 18 18 ASP H H 18 9.093 9.093 8.081 1.012 19713 3052 1 11 . 1 1 19 19 TYR N N 19 122.100 122.100 118.458 3.642 19713 3053 1 11 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.249 0.140 19713 3054 1 11 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.238 0.556 19713 3055 1 11 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.880 0.107 19713 3056 1 11 . 1 1 19 19 TYR H H 19 8.142 8.142 8.025 0.117 19713 3057 1 11 . 1 1 20 20 MET N N 20 119.265 119.265 118.438 0.827 19713 3058 1 11 . 1 1 20 20 MET HA H 20 3.987 3.987 3.826 0.161 19713 3059 1 11 . 1 1 20 20 MET CA C 20 56.147 56.147 57.053 -0.906 19713 3060 1 11 . 1 1 20 20 MET CB C 20 28.818 28.818 32.219 -3.401 19713 3061 1 11 . 1 1 20 20 MET H H 20 8.421 8.421 7.297 1.124 19713 3062 1 11 . 1 1 21 21 ALA N N 21 124.076 124.076 121.118 2.958 19713 3063 1 11 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.226 -0.131 19713 3064 1 11 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.796 0.744 19713 3065 1 11 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.204 -0.888 19713 3066 1 11 . 1 1 21 21 ALA H H 21 8.107 8.107 7.704 0.403 19713 3067 1 11 . 1 1 22 22 THR N N 22 111.538 111.538 111.984 -0.446 19713 3068 1 11 . 1 1 22 22 THR HA H 22 4.236 4.236 4.082 0.154 19713 3069 1 11 . 1 1 22 22 THR CA C 22 64.631 64.631 64.817 -0.186 19713 3070 1 11 . 1 1 22 22 THR CB C 22 69.311 69.311 68.575 0.736 19713 3071 1 11 . 1 1 22 22 THR H H 22 7.590 7.590 7.855 -0.265 19713 3072 1 11 . 1 1 23 23 GLN N N 23 118.055 118.055 118.160 -0.105 19713 3073 1 11 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.372 -0.011 19713 3074 1 11 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.706 -1.973 19713 3075 1 11 . 1 1 23 23 GLN CB C 23 28.847 28.847 28.837 0.010 19713 3076 1 11 . 1 1 23 23 GLN H H 23 7.219 7.219 7.849 -0.630 19713 3077 1 11 . 1 1 24 24 GLY N N 24 106.367 106.367 107.096 -0.729 19713 3078 1 11 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.166 0.318 19713 3079 1 11 . 1 1 24 24 GLY H H 24 7.641 7.641 7.950 -0.309 19713 3080 1 11 . 1 1 25 25 VAL N N 25 120.869 120.869 122.281 -1.412 19713 3081 1 11 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.325 -0.063 19713 3082 1 11 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.794 0.086 19713 3083 1 11 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.060 1.770 19713 3084 1 11 . 1 1 25 25 VAL H H 25 7.664 7.664 7.835 -0.171 19713 3085 1 11 . 1 1 26 26 ILE N N 26 128.372 128.372 128.488 -0.116 19713 3086 1 11 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.107 -0.184 19713 3087 1 11 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.286 -0.291 19713 3088 1 11 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.579 -0.643 19713 3089 1 11 . 1 1 26 26 ILE H H 26 9.003 9.003 8.494 0.509 19713 3090 1 11 . 1 1 27 27 LEU N N 27 130.068 130.068 126.882 3.186 19713 3091 1 11 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.708 0.506 19713 3092 1 11 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.520 -0.497 19713 3093 1 11 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.223 0.581 19713 3094 1 11 . 1 1 27 27 LEU H H 27 8.291 8.291 8.237 0.054 19713 3095 1 11 . 1 1 28 28 THR N N 28 111.171 111.171 115.364 -4.193 19713 3096 1 11 . 1 1 28 28 THR HA H 28 4.763 4.763 4.558 0.205 19713 3097 1 11 . 1 1 28 28 THR CA C 28 60.132 60.132 61.456 -1.324 19713 3098 1 11 . 1 1 28 28 THR CB C 28 71.760 71.760 70.499 1.261 19713 3099 1 11 . 1 1 28 28 THR H H 28 8.948 8.948 8.189 0.759 19713 3100 1 11 . 1 1 29 29 ILE N N 29 121.390 121.390 121.677 -0.287 19713 3101 1 11 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.400 0.910 19713 3102 1 11 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.288 -0.379 19713 3103 1 11 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.770 0.998 19713 3104 1 11 . 1 1 29 29 ILE H H 29 8.713 8.713 8.378 0.335 19713 3105 1 11 . 1 1 30 30 GLN N N 30 127.776 127.776 124.213 3.563 19713 3106 1 11 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.558 0.214 19713 3107 1 11 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.229 -0.600 19713 3108 1 11 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.659 1.650 19713 3109 1 11 . 1 1 30 30 GLN H H 30 9.518 9.518 8.501 1.017 19713 3110 1 11 . 1 1 31 31 GLN N N 31 125.893 125.893 123.671 2.222 19713 3111 1 11 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.506 0.757 19713 3112 1 11 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.539 -0.529 19713 3113 1 11 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.116 1.280 19713 3114 1 11 . 1 1 31 31 GLN H H 31 9.029 9.029 8.693 0.336 19713 3115 1 11 . 1 1 32 32 HIS N N 32 121.451 121.451 124.290 -2.839 19713 3116 1 11 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.362 0.604 19713 3117 1 11 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.419 -1.905 19713 3118 1 11 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.693 -0.032 19713 3119 1 11 . 1 1 32 32 HIS H H 32 8.912 8.912 8.654 0.258 19713 3120 1 11 . 1 1 33 33 ASN N N 33 121.954 121.954 118.579 3.375 19713 3121 1 11 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.885 0.315 19713 3122 1 11 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.276 -0.170 19713 3123 1 11 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.002 0.447 19713 3124 1 11 . 1 1 33 33 ASN H H 33 8.940 8.940 8.542 0.398 19713 3125 1 11 . 1 1 34 34 GLN N N 34 123.175 123.175 121.628 1.547 19713 3126 1 11 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.610 0.009 19713 3127 1 11 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.516 0.066 19713 3128 1 11 . 1 1 34 34 GLN CB C 34 32.175 32.175 30.757 1.418 19713 3129 1 11 . 1 1 34 34 GLN H H 34 8.648 8.648 8.547 0.101 19713 3130 1 11 . 1 1 35 35 SER N N 35 118.568 118.568 120.316 -1.748 19713 3131 1 11 . 1 1 35 35 SER HA H 35 4.784 4.784 4.701 0.083 19713 3132 1 11 . 1 1 35 35 SER CA C 35 57.693 57.693 57.827 -0.134 19713 3133 1 11 . 1 1 35 35 SER CB C 35 64.218 64.218 63.295 0.923 19713 3134 1 11 . 1 1 35 35 SER H H 35 8.744 8.744 8.656 0.088 19713 3135 1 11 . 1 1 36 36 ASP N N 36 127.988 127.988 125.734 2.254 19713 3136 1 11 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.733 0.254 19713 3137 1 11 . 1 1 36 36 ASP CA C 36 54.132 54.132 54.073 0.059 19713 3138 1 11 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.794 0.110 19713 3139 1 11 . 1 1 36 36 ASP H H 36 8.909 8.909 8.598 0.311 19713 3140 1 11 . 1 1 37 37 VAL N N 37 122.751 122.751 124.441 -1.690 19713 3141 1 11 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.427 0.550 19713 3142 1 11 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.713 0.108 19713 3143 1 11 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.281 0.818 19713 3144 1 11 . 1 1 37 37 VAL H H 37 8.691 8.691 8.418 0.273 19713 3145 1 11 . 1 1 38 38 TRP N N 38 128.913 128.913 127.541 1.372 19713 3146 1 11 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.002 0.080 19713 3147 1 11 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.434 1.339 19713 3148 1 11 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.476 2.732 19713 3149 1 11 . 1 1 38 38 TRP H H 38 9.644 9.644 7.817 1.827 19713 3150 1 11 . 1 1 39 39 LEU N N 39 122.523 122.523 121.926 0.597 19713 3151 1 11 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.676 0.175 19713 3152 1 11 . 1 1 39 39 LEU CA C 39 53.407 53.407 54.976 -1.569 19713 3153 1 11 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.570 2.328 19713 3154 1 11 . 1 1 39 39 LEU H H 39 9.378 9.378 8.333 1.045 19713 3155 1 11 . 1 1 40 40 ALA N N 40 129.759 129.759 125.616 4.143 19713 3156 1 11 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.411 0.167 19713 3157 1 11 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.781 1.510 19713 3158 1 11 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.082 -0.046 19713 3159 1 11 . 1 1 40 40 ALA H H 40 8.806 8.806 8.430 0.376 19713 3160 1 11 . 1 1 41 41 ASP N N 41 115.611 115.611 119.856 -4.245 19713 3161 1 11 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.711 0.114 19713 3162 1 11 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.183 -1.166 19713 3163 1 11 . 1 1 41 41 ASP CB C 41 38.617 38.617 40.043 -1.426 19713 3164 1 11 . 1 1 41 41 ASP H H 41 7.774 7.774 8.289 -0.515 19713 3165 1 11 . 1 1 42 42 GLU N N 42 123.031 123.031 125.335 -2.304 19713 3166 1 11 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.969 -0.335 19713 3167 1 11 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.270 0.419 19713 3168 1 11 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.649 -1.016 19713 3169 1 11 . 1 1 42 42 GLU H H 42 8.508 8.508 8.363 0.145 19713 3170 1 11 . 1 1 43 43 SER N N 43 116.358 116.358 114.325 2.033 19713 3171 1 11 . 1 1 43 43 SER HA H 43 4.373 4.373 4.187 0.186 19713 3172 1 11 . 1 1 43 43 SER CA C 43 61.171 61.171 61.251 -0.080 19713 3173 1 11 . 1 1 43 43 SER CB C 43 62.526 62.526 62.982 -0.456 19713 3174 1 11 . 1 1 43 43 SER H H 43 8.325 8.325 8.127 0.198 19713 3175 1 11 . 1 1 44 44 GLN N N 44 118.846 118.846 118.566 0.280 19713 3176 1 11 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.395 0.267 19713 3177 1 11 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.475 -2.002 19713 3178 1 11 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.764 -0.628 19713 3179 1 11 . 1 1 44 44 GLN H H 44 7.741 7.741 7.946 -0.205 19713 3180 1 11 . 1 1 45 45 ALA N N 45 122.785 122.785 123.425 -0.640 19713 3181 1 11 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.959 -0.409 19713 3182 1 11 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.242 1.721 19713 3183 1 11 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.072 0.725 19713 3184 1 11 . 1 1 45 45 ALA H H 45 7.567 7.567 7.928 -0.361 19713 3185 1 11 . 1 1 46 46 GLU N N 46 116.794 116.794 117.649 -0.855 19713 3186 1 11 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.956 0.076 19713 3187 1 11 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.644 0.176 19713 3188 1 11 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.251 -0.563 19713 3189 1 11 . 1 1 46 46 GLU H H 46 8.686 8.686 8.085 0.601 19713 3190 1 11 . 1 1 47 47 ARG N N 47 122.101 122.101 120.376 1.725 19713 3191 1 11 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.081 0.164 19713 3192 1 11 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.172 -0.359 19713 3193 1 11 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.841 0.225 19713 3194 1 11 . 1 1 47 47 ARG H H 47 8.042 8.042 7.594 0.448 19713 3195 1 11 . 1 1 48 48 VAL N N 48 118.395 118.395 116.568 1.827 19713 3196 1 11 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.573 0.077 19713 3197 1 11 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.364 0.598 19713 3198 1 11 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.245 0.009 19713 3199 1 11 . 1 1 48 48 VAL H H 48 8.466 8.466 8.112 0.354 19713 3200 1 11 . 1 1 49 49 ARG N N 49 119.126 119.126 120.353 -1.227 19713 3201 1 11 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.907 -0.036 19713 3202 1 11 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.809 0.947 19713 3203 1 11 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.841 -0.282 19713 3204 1 11 . 1 1 49 49 ARG H H 49 8.604 8.604 7.846 0.758 19713 3205 1 11 . 1 1 50 50 ALA N N 50 123.287 123.287 121.905 1.382 19713 3206 1 11 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.058 0.216 19713 3207 1 11 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.227 -0.105 19713 3208 1 11 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.023 -0.015 19713 3209 1 11 . 1 1 50 50 ALA H H 50 8.081 8.081 7.997 0.084 19713 3210 1 11 . 1 1 51 51 GLU N N 51 118.576 118.576 118.535 0.041 19713 3211 1 11 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.990 0.459 19713 3212 1 11 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.667 -0.326 19713 3213 1 11 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.088 1.030 19713 3214 1 11 . 1 1 51 51 GLU H H 51 8.386 8.386 7.925 0.461 19713 3215 1 11 . 1 1 52 52 LEU N N 52 122.397 122.397 120.601 1.796 19713 3216 1 11 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.971 -0.033 19713 3217 1 11 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.178 -0.433 19713 3218 1 11 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.723 -0.480 19713 3219 1 11 . 1 1 52 52 LEU H H 52 8.976 8.976 8.478 0.498 19713 3220 1 11 . 1 1 53 53 ALA N N 53 119.025 119.025 120.591 -1.566 19713 3221 1 11 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.976 0.078 19713 3222 1 11 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.157 -0.063 19713 3223 1 11 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.126 -0.529 19713 3224 1 11 . 1 1 53 53 ALA H H 53 7.418 7.418 8.096 -0.678 19713 3225 1 11 . 1 1 54 54 ARG N N 54 116.311 116.311 117.862 -1.551 19713 3226 1 11 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.377 -0.241 19713 3227 1 11 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.312 0.374 19713 3228 1 11 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.301 0.139 19713 3229 1 11 . 1 1 54 54 ARG H H 54 7.316 7.316 7.834 -0.518 19713 3230 1 11 . 1 1 55 55 PHE N N 55 122.048 122.048 120.350 1.698 19713 3231 1 11 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.439 -0.406 19713 3232 1 11 . 1 1 55 55 PHE CA C 55 60.786 60.786 60.332 0.454 19713 3233 1 11 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.704 0.352 19713 3234 1 11 . 1 1 55 55 PHE H H 55 8.729 8.729 8.003 0.726 19713 3235 1 11 . 1 1 56 56 LEU N N 56 116.538 116.538 120.696 -4.158 19713 3236 1 11 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.959 0.084 19713 3237 1 11 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.742 -2.025 19713 3238 1 11 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.889 0.145 19713 3239 1 11 . 1 1 56 56 LEU H H 56 8.133 8.133 8.804 -0.671 19713 3240 1 11 . 1 1 57 57 GLU N N 57 118.454 118.454 116.951 1.503 19713 3241 1 11 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.175 -0.071 19713 3242 1 11 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.838 0.716 19713 3243 1 11 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.757 0.269 19713 3244 1 11 . 1 1 57 57 GLU H H 57 7.479 7.479 7.895 -0.416 19713 3245 1 11 . 1 1 58 58 ASN N N 58 116.134 116.134 119.804 -3.670 19713 3246 1 11 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.009 -0.103 19713 3247 1 11 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.136 1.028 19713 3248 1 11 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.200 0.612 19713 3249 1 11 . 1 1 58 58 ASN H H 58 7.722 7.722 7.907 -0.185 19713 3250 1 11 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.351 -0.261 19713 3251 1 11 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.297 0.586 19713 3252 1 11 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.422 1.434 19713 3253 1 11 . 1 1 60 60 ALA N N 60 123.290 123.290 126.918 -3.628 19713 3254 1 11 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.288 -0.092 19713 3255 1 11 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.755 0.122 19713 3256 1 11 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.207 -1.309 19713 3257 1 11 . 1 1 60 60 ALA H H 60 7.995 7.995 8.018 -0.023 19713 3258 1 11 . 1 1 61 61 ASP N N 61 118.409 118.409 119.494 -1.085 19713 3259 1 11 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.594 -0.019 19713 3260 1 11 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.208 -1.934 19713 3261 1 11 . 1 1 61 61 ASP CB C 61 40.887 40.887 42.490 -1.603 19713 3262 1 11 . 1 1 61 61 ASP H H 61 7.985 7.985 7.909 0.076 19713 3263 1 11 . 1 1 62 62 LEU N N 62 121.754 121.754 120.861 0.893 19713 3264 1 11 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.286 -0.116 19713 3265 1 11 . 1 1 62 62 LEU CA C 62 55.673 55.673 55.804 -0.131 19713 3266 1 11 . 1 1 62 62 LEU CB C 62 41.992 41.992 40.319 1.673 19713 3267 1 11 . 1 1 62 62 LEU H H 62 7.921 7.921 7.888 0.033 19713 3268 1 12 . 1 1 2 2 LEU N N 2 123.873 123.873 125.601 -1.728 19713 3269 1 12 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.761 0.079 19713 3270 1 12 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.647 -0.948 19713 3271 1 12 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.306 3.237 19713 3272 1 12 . 1 1 2 2 LEU H H 2 8.977 8.977 8.313 0.664 19713 3273 1 12 . 1 1 3 3 MET N N 3 128.873 128.873 124.017 4.856 19713 3274 1 12 . 1 1 3 3 MET HA H 3 3.402 3.402 4.447 -1.045 19713 3275 1 12 . 1 1 3 3 MET CA C 3 55.648 55.648 55.911 -0.263 19713 3276 1 12 . 1 1 3 3 MET CB C 3 31.068 31.068 32.921 -1.853 19713 3277 1 12 . 1 1 3 3 MET H H 3 8.669 8.669 8.485 0.184 19713 3278 1 12 . 1 1 4 4 ILE N N 4 127.600 127.600 123.744 3.856 19713 3279 1 12 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.102 -0.179 19713 3280 1 12 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.049 -2.385 19713 3281 1 12 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.937 -0.063 19713 3282 1 12 . 1 1 4 4 ILE H H 4 8.843 8.843 8.504 0.339 19713 3283 1 12 . 1 1 5 5 THR N N 5 109.859 109.859 110.841 -0.982 19713 3284 1 12 . 1 1 5 5 THR HA H 5 4.232 4.232 4.244 -0.012 19713 3285 1 12 . 1 1 5 5 THR CA C 5 60.044 60.044 61.548 -1.504 19713 3286 1 12 . 1 1 5 5 THR CB C 5 98.915 98.915 69.197 29.718 19713 3287 1 12 . 1 1 5 5 THR H H 5 7.255 7.255 7.550 -0.295 19713 3288 1 12 . 1 1 6 6 SER N N 6 116.037 116.037 115.663 0.374 19713 3289 1 12 . 1 1 6 6 SER HA H 6 5.353 5.353 4.581 0.772 19713 3290 1 12 . 1 1 6 6 SER CA C 6 56.774 56.774 57.512 -0.738 19713 3291 1 12 . 1 1 6 6 SER CB C 6 64.813 64.813 64.709 0.104 19713 3292 1 12 . 1 1 6 6 SER H H 6 7.717 7.717 7.951 -0.234 19713 3293 1 12 . 1 1 7 7 PHE N N 7 121.810 121.810 121.005 0.805 19713 3294 1 12 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.631 0.280 19713 3295 1 12 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.538 0.225 19713 3296 1 12 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.604 2.819 19713 3297 1 12 . 1 1 7 7 PHE H H 7 8.928 8.928 8.102 0.826 19713 3298 1 12 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.523 0.072 19713 3299 1 12 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.940 1.638 19713 3300 1 12 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.026 0.024 19713 3301 1 12 . 1 1 9 9 ASN N N 9 116.543 116.543 116.728 -0.185 19713 3302 1 12 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.958 0.292 19713 3303 1 12 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.009 -2.337 19713 3304 1 12 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.500 -0.742 19713 3305 1 12 . 1 1 9 9 ASN H H 9 8.133 8.133 7.941 0.192 19713 3306 1 12 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.401 -0.063 19713 3307 1 12 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.225 -0.646 19713 3308 1 12 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.496 -0.141 19713 3309 1 12 . 1 1 11 11 ARG N N 11 118.730 118.730 119.344 -0.614 19713 3310 1 12 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.080 0.074 19713 3311 1 12 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.480 -0.629 19713 3312 1 12 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.629 -0.026 19713 3313 1 12 . 1 1 11 11 ARG H H 11 8.091 8.091 8.560 -0.469 19713 3314 1 12 . 1 1 12 12 VAL N N 12 122.396 122.396 118.175 4.221 19713 3315 1 12 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.686 -0.051 19713 3316 1 12 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.604 -0.072 19713 3317 1 12 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.022 0.740 19713 3318 1 12 . 1 1 12 12 VAL H H 12 7.235 7.235 7.877 -0.642 19713 3319 1 12 . 1 1 13 13 ALA N N 13 119.674 119.674 121.448 -1.774 19713 3320 1 12 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.105 -0.981 19713 3321 1 12 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.613 -0.898 19713 3322 1 12 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.070 0.687 19713 3323 1 12 . 1 1 13 13 ALA H H 13 6.857 6.857 7.588 -0.731 19713 3324 1 12 . 1 1 14 14 GLN N N 14 115.202 115.202 119.318 -4.116 19713 3325 1 12 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.040 -0.357 19713 3326 1 12 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.257 -0.469 19713 3327 1 12 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.232 0.175 19713 3328 1 12 . 1 1 14 14 GLN H H 14 7.800 7.800 8.338 -0.538 19713 3329 1 12 . 1 1 15 15 ALA N N 15 121.416 121.416 122.065 -0.649 19713 3330 1 12 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.015 0.282 19713 3331 1 12 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.123 -0.133 19713 3332 1 12 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.255 -0.519 19713 3333 1 12 . 1 1 15 15 ALA H H 15 7.882 7.882 8.312 -0.430 19713 3334 1 12 . 1 1 16 16 PHE N N 16 120.765 120.765 118.555 2.210 19713 3335 1 12 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.453 -0.841 19713 3336 1 12 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.646 -1.505 19713 3337 1 12 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.369 -0.711 19713 3338 1 12 . 1 1 16 16 PHE H H 16 8.150 8.150 8.587 -0.437 19713 3339 1 12 . 1 1 17 17 VAL N N 17 120.622 120.622 115.198 5.424 19713 3340 1 12 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.578 -0.367 19713 3341 1 12 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.124 1.511 19713 3342 1 12 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.459 0.044 19713 3343 1 12 . 1 1 17 17 VAL H H 17 8.193 8.193 8.215 -0.022 19713 3344 1 12 . 1 1 18 18 ASP N N 18 123.142 123.142 122.056 1.086 19713 3345 1 12 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.374 0.019 19713 3346 1 12 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.127 0.422 19713 3347 1 12 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.883 -1.061 19713 3348 1 12 . 1 1 18 18 ASP H H 18 9.093 9.093 8.200 0.893 19713 3349 1 12 . 1 1 19 19 TYR N N 19 122.100 122.100 118.695 3.405 19713 3350 1 12 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.382 0.007 19713 3351 1 12 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.162 0.632 19713 3352 1 12 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.032 -0.045 19713 3353 1 12 . 1 1 19 19 TYR H H 19 8.142 8.142 8.044 0.098 19713 3354 1 12 . 1 1 20 20 MET N N 20 119.265 119.265 116.334 2.931 19713 3355 1 12 . 1 1 20 20 MET HA H 20 3.987 3.987 3.854 0.133 19713 3356 1 12 . 1 1 20 20 MET CA C 20 56.147 56.147 56.755 -0.608 19713 3357 1 12 . 1 1 20 20 MET CB C 20 28.818 28.818 32.247 -3.429 19713 3358 1 12 . 1 1 20 20 MET H H 20 8.421 8.421 7.431 0.990 19713 3359 1 12 . 1 1 21 21 ALA N N 21 124.076 124.076 122.272 1.804 19713 3360 1 12 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.250 -0.155 19713 3361 1 12 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.819 0.721 19713 3362 1 12 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.278 -0.962 19713 3363 1 12 . 1 1 21 21 ALA H H 21 8.107 8.107 8.000 0.107 19713 3364 1 12 . 1 1 22 22 THR N N 22 111.538 111.538 112.866 -1.328 19713 3365 1 12 . 1 1 22 22 THR HA H 22 4.236 4.236 4.132 0.104 19713 3366 1 12 . 1 1 22 22 THR CA C 22 64.631 64.631 64.621 0.010 19713 3367 1 12 . 1 1 22 22 THR CB C 22 69.311 69.311 68.869 0.442 19713 3368 1 12 . 1 1 22 22 THR H H 22 7.590 7.590 7.890 -0.300 19713 3369 1 12 . 1 1 23 23 GLN N N 23 118.055 118.055 118.365 -0.310 19713 3370 1 12 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.391 -0.030 19713 3371 1 12 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.667 -1.934 19713 3372 1 12 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.248 -0.401 19713 3373 1 12 . 1 1 23 23 GLN H H 23 7.219 7.219 7.453 -0.234 19713 3374 1 12 . 1 1 24 24 GLY N N 24 106.367 106.367 107.581 -1.214 19713 3375 1 12 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.059 0.425 19713 3376 1 12 . 1 1 24 24 GLY H H 24 7.641 7.641 7.795 -0.154 19713 3377 1 12 . 1 1 25 25 VAL N N 25 120.869 120.869 121.272 -0.403 19713 3378 1 12 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.341 -0.079 19713 3379 1 12 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.646 0.234 19713 3380 1 12 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.060 0.770 19713 3381 1 12 . 1 1 25 25 VAL H H 25 7.664 7.664 8.182 -0.518 19713 3382 1 12 . 1 1 26 26 ILE N N 26 128.372 128.372 127.862 0.510 19713 3383 1 12 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.146 -0.223 19713 3384 1 12 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.238 -0.243 19713 3385 1 12 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.400 -0.464 19713 3386 1 12 . 1 1 26 26 ILE H H 26 9.003 9.003 8.456 0.547 19713 3387 1 12 . 1 1 27 27 LEU N N 27 130.068 130.068 126.335 3.733 19713 3388 1 12 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.656 0.558 19713 3389 1 12 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.977 -0.954 19713 3390 1 12 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.188 0.616 19713 3391 1 12 . 1 1 27 27 LEU H H 27 8.291 8.291 8.326 -0.035 19713 3392 1 12 . 1 1 28 28 THR N N 28 111.171 111.171 116.300 -5.129 19713 3393 1 12 . 1 1 28 28 THR HA H 28 4.763 4.763 4.521 0.242 19713 3394 1 12 . 1 1 28 28 THR CA C 28 60.132 60.132 61.633 -1.501 19713 3395 1 12 . 1 1 28 28 THR CB C 28 71.760 71.760 70.106 1.655 19713 3396 1 12 . 1 1 28 28 THR H H 28 8.948 8.948 8.259 0.689 19713 3397 1 12 . 1 1 29 29 ILE N N 29 121.390 121.390 123.549 -2.159 19713 3398 1 12 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.391 0.919 19713 3399 1 12 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.200 -0.291 19713 3400 1 12 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.012 1.756 19713 3401 1 12 . 1 1 29 29 ILE H H 29 8.713 8.713 8.417 0.296 19713 3402 1 12 . 1 1 30 30 GLN N N 30 127.776 127.776 124.504 3.272 19713 3403 1 12 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.542 0.230 19713 3404 1 12 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.220 -0.591 19713 3405 1 12 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.582 1.727 19713 3406 1 12 . 1 1 30 30 GLN H H 30 9.518 9.518 8.456 1.062 19713 3407 1 12 . 1 1 31 31 GLN N N 31 125.893 125.893 123.154 2.739 19713 3408 1 12 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.510 0.753 19713 3409 1 12 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.490 -0.480 19713 3410 1 12 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.470 0.926 19713 3411 1 12 . 1 1 31 31 GLN H H 31 9.029 9.029 8.590 0.439 19713 3412 1 12 . 1 1 32 32 HIS N N 32 121.451 121.451 124.078 -2.627 19713 3413 1 12 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.503 0.463 19713 3414 1 12 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.006 -1.492 19713 3415 1 12 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.881 -0.220 19713 3416 1 12 . 1 1 32 32 HIS H H 32 8.912 8.912 8.492 0.420 19713 3417 1 12 . 1 1 33 33 ASN N N 33 121.954 121.954 118.969 2.985 19713 3418 1 12 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.744 0.456 19713 3419 1 12 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.998 0.108 19713 3420 1 12 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.254 0.194 19713 3421 1 12 . 1 1 33 33 ASN H H 33 8.940 8.940 8.850 0.090 19713 3422 1 12 . 1 1 34 34 GLN N N 34 123.175 123.175 123.998 -0.823 19713 3423 1 12 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.426 0.193 19713 3424 1 12 . 1 1 34 34 GLN CA C 34 55.582 55.582 56.349 -0.767 19713 3425 1 12 . 1 1 34 34 GLN CB C 34 32.175 32.175 30.290 1.885 19713 3426 1 12 . 1 1 34 34 GLN H H 34 8.648 8.648 8.642 0.006 19713 3427 1 12 . 1 1 35 35 SER N N 35 118.568 118.568 121.549 -2.981 19713 3428 1 12 . 1 1 35 35 SER HA H 35 4.784 4.784 4.508 0.276 19713 3429 1 12 . 1 1 35 35 SER CA C 35 57.693 57.693 58.554 -0.861 19713 3430 1 12 . 1 1 35 35 SER CB C 35 64.218 64.218 63.416 0.802 19713 3431 1 12 . 1 1 35 35 SER H H 35 8.744 8.744 8.760 -0.016 19713 3432 1 12 . 1 1 36 36 ASP N N 36 127.988 127.988 126.644 1.344 19713 3433 1 12 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.776 0.211 19713 3434 1 12 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.737 0.395 19713 3435 1 12 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.800 0.104 19713 3436 1 12 . 1 1 36 36 ASP H H 36 8.909 8.909 8.383 0.526 19713 3437 1 12 . 1 1 37 37 VAL N N 37 122.751 122.751 124.575 -1.824 19713 3438 1 12 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.448 0.529 19713 3439 1 12 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.273 0.548 19713 3440 1 12 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.742 1.357 19713 3441 1 12 . 1 1 37 37 VAL H H 37 8.691 8.691 8.472 0.219 19713 3442 1 12 . 1 1 38 38 TRP N N 38 128.913 128.913 127.570 1.343 19713 3443 1 12 . 1 1 38 38 TRP HA H 38 5.082 5.082 4.998 0.084 19713 3444 1 12 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.464 1.309 19713 3445 1 12 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.453 2.756 19713 3446 1 12 . 1 1 38 38 TRP H H 38 9.644 9.644 7.800 1.844 19713 3447 1 12 . 1 1 39 39 LEU N N 39 122.523 122.523 122.263 0.260 19713 3448 1 12 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.665 0.186 19713 3449 1 12 . 1 1 39 39 LEU CA C 39 53.407 53.407 54.978 -1.571 19713 3450 1 12 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.382 2.516 19713 3451 1 12 . 1 1 39 39 LEU H H 39 9.378 9.378 8.356 1.022 19713 3452 1 12 . 1 1 40 40 ALA N N 40 129.759 129.759 125.779 3.980 19713 3453 1 12 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.416 0.162 19713 3454 1 12 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.681 1.610 19713 3455 1 12 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.158 -0.122 19713 3456 1 12 . 1 1 40 40 ALA H H 40 8.806 8.806 8.463 0.343 19713 3457 1 12 . 1 1 41 41 ASP N N 41 115.611 115.611 119.386 -3.775 19713 3458 1 12 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.646 0.179 19713 3459 1 12 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.397 -1.380 19713 3460 1 12 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.706 -1.089 19713 3461 1 12 . 1 1 41 41 ASP H H 41 7.774 7.774 8.385 -0.611 19713 3462 1 12 . 1 1 42 42 GLU N N 42 123.031 123.031 124.755 -1.724 19713 3463 1 12 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.957 -0.323 19713 3464 1 12 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.609 0.080 19713 3465 1 12 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.650 -1.017 19713 3466 1 12 . 1 1 42 42 GLU H H 42 8.508 8.508 8.340 0.168 19713 3467 1 12 . 1 1 43 43 SER N N 43 116.358 116.358 114.910 1.448 19713 3468 1 12 . 1 1 43 43 SER HA H 43 4.373 4.373 4.144 0.229 19713 3469 1 12 . 1 1 43 43 SER CA C 43 61.171 61.171 60.921 0.250 19713 3470 1 12 . 1 1 43 43 SER CB C 43 62.526 62.526 62.848 -0.322 19713 3471 1 12 . 1 1 43 43 SER H H 43 8.325 8.325 8.052 0.273 19713 3472 1 12 . 1 1 44 44 GLN N N 44 118.846 118.846 118.906 -0.060 19713 3473 1 12 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.411 0.251 19713 3474 1 12 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.348 -1.875 19713 3475 1 12 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.548 -0.413 19713 3476 1 12 . 1 1 44 44 GLN H H 44 7.741 7.741 8.020 -0.279 19713 3477 1 12 . 1 1 45 45 ALA N N 45 122.785 122.785 123.433 -0.648 19713 3478 1 12 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.963 -0.413 19713 3479 1 12 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.255 1.708 19713 3480 1 12 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.082 0.715 19713 3481 1 12 . 1 1 45 45 ALA H H 45 7.567 7.567 7.905 -0.338 19713 3482 1 12 . 1 1 46 46 GLU N N 46 116.794 116.794 118.067 -1.273 19713 3483 1 12 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.954 0.078 19713 3484 1 12 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.644 0.176 19713 3485 1 12 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.173 -0.485 19713 3486 1 12 . 1 1 46 46 GLU H H 46 8.686 8.686 7.994 0.692 19713 3487 1 12 . 1 1 47 47 ARG N N 47 122.101 122.101 120.292 1.809 19713 3488 1 12 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.056 0.189 19713 3489 1 12 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.103 -0.290 19713 3490 1 12 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.000 0.066 19713 3491 1 12 . 1 1 47 47 ARG H H 47 8.042 8.042 8.069 -0.027 19713 3492 1 12 . 1 1 48 48 VAL N N 48 118.395 118.395 116.874 1.521 19713 3493 1 12 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.666 -0.016 19713 3494 1 12 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.500 1.462 19713 3495 1 12 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.403 0.851 19713 3496 1 12 . 1 1 48 48 VAL H H 48 8.466 8.466 8.089 0.377 19713 3497 1 12 . 1 1 49 49 ARG N N 49 119.126 119.126 120.979 -1.853 19713 3498 1 12 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.925 -0.054 19713 3499 1 12 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.862 0.894 19713 3500 1 12 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.858 -0.299 19713 3501 1 12 . 1 1 49 49 ARG H H 49 8.604 8.604 7.958 0.646 19713 3502 1 12 . 1 1 50 50 ALA N N 50 123.287 123.287 121.816 1.471 19713 3503 1 12 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.051 0.223 19713 3504 1 12 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.241 -0.119 19713 3505 1 12 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.006 0.002 19713 3506 1 12 . 1 1 50 50 ALA H H 50 8.081 8.081 8.025 0.056 19713 3507 1 12 . 1 1 51 51 GLU N N 51 118.576 118.576 118.471 0.105 19713 3508 1 12 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.976 0.473 19713 3509 1 12 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.695 -0.354 19713 3510 1 12 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.098 1.020 19713 3511 1 12 . 1 1 51 51 GLU H H 51 8.386 8.386 7.966 0.420 19713 3512 1 12 . 1 1 52 52 LEU N N 52 122.397 122.397 120.639 1.758 19713 3513 1 12 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.983 -0.045 19713 3514 1 12 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.272 -0.527 19713 3515 1 12 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.727 -0.484 19713 3516 1 12 . 1 1 52 52 LEU H H 52 8.976 8.976 8.391 0.585 19713 3517 1 12 . 1 1 53 53 ALA N N 53 119.025 119.025 120.736 -1.711 19713 3518 1 12 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.930 0.124 19713 3519 1 12 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.229 -0.135 19713 3520 1 12 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.113 -0.516 19713 3521 1 12 . 1 1 53 53 ALA H H 53 7.418 7.418 8.120 -0.702 19713 3522 1 12 . 1 1 54 54 ARG N N 54 116.311 116.311 116.609 -0.298 19713 3523 1 12 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.366 -0.230 19713 3524 1 12 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.078 0.608 19713 3525 1 12 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.290 0.150 19713 3526 1 12 . 1 1 54 54 ARG H H 54 7.316 7.316 7.844 -0.528 19713 3527 1 12 . 1 1 55 55 PHE N N 55 122.048 122.048 120.378 1.670 19713 3528 1 12 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.447 -0.414 19713 3529 1 12 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.657 1.129 19713 3530 1 12 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.809 0.248 19713 3531 1 12 . 1 1 55 55 PHE H H 55 8.729 8.729 7.800 0.929 19713 3532 1 12 . 1 1 56 56 LEU N N 56 116.538 116.538 120.775 -4.237 19713 3533 1 12 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.925 0.118 19713 3534 1 12 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.788 -2.071 19713 3535 1 12 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.775 0.260 19713 3536 1 12 . 1 1 56 56 LEU H H 56 8.133 8.133 8.854 -0.721 19713 3537 1 12 . 1 1 57 57 GLU N N 57 118.454 118.454 116.878 1.576 19713 3538 1 12 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.171 -0.067 19713 3539 1 12 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.890 0.664 19713 3540 1 12 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.756 0.270 19713 3541 1 12 . 1 1 57 57 GLU H H 57 7.479 7.479 7.902 -0.423 19713 3542 1 12 . 1 1 58 58 ASN N N 58 116.134 116.134 119.781 -3.647 19713 3543 1 12 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.029 -0.123 19713 3544 1 12 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.226 0.938 19713 3545 1 12 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.347 0.464 19713 3546 1 12 . 1 1 58 58 ASN H H 58 7.722 7.722 7.848 -0.126 19713 3547 1 12 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.326 -0.236 19713 3548 1 12 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.264 0.619 19713 3549 1 12 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.840 1.016 19713 3550 1 12 . 1 1 60 60 ALA N N 60 123.290 123.290 127.448 -4.158 19713 3551 1 12 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.312 -0.116 19713 3552 1 12 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.711 0.166 19713 3553 1 12 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.120 -1.222 19713 3554 1 12 . 1 1 60 60 ALA H H 60 7.995 7.995 7.912 0.083 19713 3555 1 12 . 1 1 61 61 ASP N N 61 118.409 118.409 119.986 -1.577 19713 3556 1 12 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.546 0.029 19713 3557 1 12 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.762 -1.488 19713 3558 1 12 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.809 -0.922 19713 3559 1 12 . 1 1 61 61 ASP H H 61 7.985 7.985 8.124 -0.139 19713 3560 1 12 . 1 1 62 62 LEU N N 62 121.754 121.754 117.867 3.887 19713 3561 1 12 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.204 -0.034 19713 3562 1 12 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.807 -1.134 19713 3563 1 12 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.728 0.264 19713 3564 1 12 . 1 1 62 62 LEU H H 62 7.921 7.921 8.184 -0.263 19713 3565 1 13 . 1 1 2 2 LEU N N 2 123.873 123.873 125.585 -1.712 19713 3566 1 13 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.705 0.135 19713 3567 1 13 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.495 -0.796 19713 3568 1 13 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.220 3.323 19713 3569 1 13 . 1 1 2 2 LEU H H 2 8.977 8.977 8.318 0.659 19713 3570 1 13 . 1 1 3 3 MET N N 3 128.873 128.873 124.567 4.306 19713 3571 1 13 . 1 1 3 3 MET HA H 3 3.402 3.402 4.444 -1.042 19713 3572 1 13 . 1 1 3 3 MET CA C 3 55.648 55.648 55.968 -0.320 19713 3573 1 13 . 1 1 3 3 MET CB C 3 31.068 31.068 32.968 -1.900 19713 3574 1 13 . 1 1 3 3 MET H H 3 8.669 8.669 8.476 0.193 19713 3575 1 13 . 1 1 4 4 ILE N N 4 127.600 127.600 123.629 3.971 19713 3576 1 13 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.075 -0.152 19713 3577 1 13 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.057 -2.393 19713 3578 1 13 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.875 -0.001 19713 3579 1 13 . 1 1 4 4 ILE H H 4 8.843 8.843 8.510 0.333 19713 3580 1 13 . 1 1 5 5 THR N N 5 109.859 109.859 110.695 -0.836 19713 3581 1 13 . 1 1 5 5 THR HA H 5 4.232 4.232 4.192 0.040 19713 3582 1 13 . 1 1 5 5 THR CA C 5 60.044 60.044 61.466 -1.422 19713 3583 1 13 . 1 1 5 5 THR CB C 5 98.915 98.915 69.258 29.657 19713 3584 1 13 . 1 1 5 5 THR H H 5 7.255 7.255 7.476 -0.221 19713 3585 1 13 . 1 1 6 6 SER N N 6 116.037 116.037 116.261 -0.224 19713 3586 1 13 . 1 1 6 6 SER HA H 6 5.353 5.353 4.627 0.726 19713 3587 1 13 . 1 1 6 6 SER CA C 6 56.774 56.774 57.323 -0.549 19713 3588 1 13 . 1 1 6 6 SER CB C 6 64.813 64.813 64.530 0.283 19713 3589 1 13 . 1 1 6 6 SER H H 6 7.717 7.717 7.896 -0.179 19713 3590 1 13 . 1 1 7 7 PHE N N 7 121.810 121.810 121.866 -0.056 19713 3591 1 13 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.680 0.231 19713 3592 1 13 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.653 0.111 19713 3593 1 13 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.694 2.729 19713 3594 1 13 . 1 1 7 7 PHE H H 7 8.928 8.928 8.184 0.744 19713 3595 1 13 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.540 0.055 19713 3596 1 13 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.991 1.587 19713 3597 1 13 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.144 -0.094 19713 3598 1 13 . 1 1 9 9 ASN N N 9 116.543 116.543 117.480 -0.937 19713 3599 1 13 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.015 0.235 19713 3600 1 13 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.754 -2.082 19713 3601 1 13 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.687 -0.929 19713 3602 1 13 . 1 1 9 9 ASN H H 9 8.133 8.133 8.021 0.112 19713 3603 1 13 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.470 -0.132 19713 3604 1 13 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.192 -0.614 19713 3605 1 13 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.117 0.238 19713 3606 1 13 . 1 1 11 11 ARG N N 11 118.730 118.730 119.154 -0.424 19713 3607 1 13 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.059 0.095 19713 3608 1 13 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.336 -0.485 19713 3609 1 13 . 1 1 11 11 ARG CB C 11 29.603 29.603 28.693 0.910 19713 3610 1 13 . 1 1 11 11 ARG H H 11 8.091 8.091 8.711 -0.620 19713 3611 1 13 . 1 1 12 12 VAL N N 12 122.396 122.396 120.116 2.280 19713 3612 1 13 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.709 -0.074 19713 3613 1 13 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.376 0.156 19713 3614 1 13 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.827 0.935 19713 3615 1 13 . 1 1 12 12 VAL H H 12 7.235 7.235 7.854 -0.619 19713 3616 1 13 . 1 1 13 13 ALA N N 13 119.674 119.674 122.307 -2.633 19713 3617 1 13 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.128 -1.004 19713 3618 1 13 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.775 -1.060 19713 3619 1 13 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.056 0.701 19713 3620 1 13 . 1 1 13 13 ALA H H 13 6.857 6.857 7.903 -1.046 19713 3621 1 13 . 1 1 14 14 GLN N N 14 115.202 115.202 119.215 -4.013 19713 3622 1 13 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.043 -0.360 19713 3623 1 13 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.335 -0.547 19713 3624 1 13 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.192 0.215 19713 3625 1 13 . 1 1 14 14 GLN H H 14 7.800 7.800 8.464 -0.664 19713 3626 1 13 . 1 1 15 15 ALA N N 15 121.416 121.416 122.041 -0.625 19713 3627 1 13 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.012 0.285 19713 3628 1 13 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.047 -0.057 19713 3629 1 13 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.134 -0.398 19713 3630 1 13 . 1 1 15 15 ALA H H 15 7.882 7.882 7.909 -0.027 19713 3631 1 13 . 1 1 16 16 PHE N N 16 120.765 120.765 118.839 1.926 19713 3632 1 13 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.448 -0.836 19713 3633 1 13 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.625 -1.484 19713 3634 1 13 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.296 -0.638 19713 3635 1 13 . 1 1 16 16 PHE H H 16 8.150 8.150 8.518 -0.368 19713 3636 1 13 . 1 1 17 17 VAL N N 17 120.622 120.622 115.299 5.323 19713 3637 1 13 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.595 -0.384 19713 3638 1 13 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.778 1.857 19713 3639 1 13 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.334 0.169 19713 3640 1 13 . 1 1 17 17 VAL H H 17 8.193 8.193 8.266 -0.073 19713 3641 1 13 . 1 1 18 18 ASP N N 18 123.142 123.142 122.604 0.538 19713 3642 1 13 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.376 0.017 19713 3643 1 13 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.293 0.256 19713 3644 1 13 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.962 -1.141 19713 3645 1 13 . 1 1 18 18 ASP H H 18 9.093 9.093 8.273 0.820 19713 3646 1 13 . 1 1 19 19 TYR N N 19 122.100 122.100 119.080 3.020 19713 3647 1 13 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.344 0.045 19713 3648 1 13 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.301 0.493 19713 3649 1 13 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.128 -0.141 19713 3650 1 13 . 1 1 19 19 TYR H H 19 8.142 8.142 8.145 -0.003 19713 3651 1 13 . 1 1 20 20 MET N N 20 119.265 119.265 116.714 2.551 19713 3652 1 13 . 1 1 20 20 MET HA H 20 3.987 3.987 3.712 0.275 19713 3653 1 13 . 1 1 20 20 MET CA C 20 56.147 56.147 56.767 -0.620 19713 3654 1 13 . 1 1 20 20 MET CB C 20 28.818 28.818 32.224 -3.406 19713 3655 1 13 . 1 1 20 20 MET H H 20 8.421 8.421 7.535 0.886 19713 3656 1 13 . 1 1 21 21 ALA N N 21 124.076 124.076 121.995 2.081 19713 3657 1 13 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.225 -0.130 19713 3658 1 13 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.873 0.667 19713 3659 1 13 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.261 -0.945 19713 3660 1 13 . 1 1 21 21 ALA H H 21 8.107 8.107 7.990 0.117 19713 3661 1 13 . 1 1 22 22 THR N N 22 111.538 111.538 112.659 -1.121 19713 3662 1 13 . 1 1 22 22 THR HA H 22 4.236 4.236 4.142 0.094 19713 3663 1 13 . 1 1 22 22 THR CA C 22 64.631 64.631 64.524 0.107 19713 3664 1 13 . 1 1 22 22 THR CB C 22 69.311 69.311 68.858 0.453 19713 3665 1 13 . 1 1 22 22 THR H H 22 7.590 7.590 7.899 -0.309 19713 3666 1 13 . 1 1 23 23 GLN N N 23 118.055 118.055 118.513 -0.458 19713 3667 1 13 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.401 -0.040 19713 3668 1 13 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.603 -1.870 19713 3669 1 13 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.454 -0.607 19713 3670 1 13 . 1 1 23 23 GLN H H 23 7.219 7.219 7.385 -0.166 19713 3671 1 13 . 1 1 24 24 GLY N N 24 106.367 106.367 107.535 -1.168 19713 3672 1 13 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.052 0.432 19713 3673 1 13 . 1 1 24 24 GLY H H 24 7.641 7.641 7.760 -0.119 19713 3674 1 13 . 1 1 25 25 VAL N N 25 120.869 120.869 121.627 -0.758 19713 3675 1 13 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.337 -0.075 19713 3676 1 13 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.423 0.457 19713 3677 1 13 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.096 0.734 19713 3678 1 13 . 1 1 25 25 VAL H H 25 7.664 7.664 8.167 -0.503 19713 3679 1 13 . 1 1 26 26 ILE N N 26 128.372 128.372 127.988 0.384 19713 3680 1 13 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.124 -0.201 19713 3681 1 13 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.376 -0.381 19713 3682 1 13 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.567 -0.631 19713 3683 1 13 . 1 1 26 26 ILE H H 26 9.003 9.003 8.464 0.539 19713 3684 1 13 . 1 1 27 27 LEU N N 27 130.068 130.068 126.396 3.672 19713 3685 1 13 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.715 0.499 19713 3686 1 13 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.990 -0.967 19713 3687 1 13 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.211 0.593 19713 3688 1 13 . 1 1 27 27 LEU H H 27 8.291 8.291 8.369 -0.078 19713 3689 1 13 . 1 1 28 28 THR N N 28 111.171 111.171 115.624 -4.453 19713 3690 1 13 . 1 1 28 28 THR HA H 28 4.763 4.763 4.533 0.230 19713 3691 1 13 . 1 1 28 28 THR CA C 28 60.132 60.132 61.515 -1.383 19713 3692 1 13 . 1 1 28 28 THR CB C 28 71.760 71.760 70.382 1.378 19713 3693 1 13 . 1 1 28 28 THR H H 28 8.948 8.948 8.245 0.703 19713 3694 1 13 . 1 1 29 29 ILE N N 29 121.390 121.390 122.150 -0.760 19713 3695 1 13 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.431 0.879 19713 3696 1 13 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.218 -0.310 19713 3697 1 13 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.836 0.932 19713 3698 1 13 . 1 1 29 29 ILE H H 29 8.713 8.713 8.395 0.318 19713 3699 1 13 . 1 1 30 30 GLN N N 30 127.776 127.776 124.184 3.592 19713 3700 1 13 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.577 0.195 19713 3701 1 13 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.280 -0.651 19713 3702 1 13 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.747 1.562 19713 3703 1 13 . 1 1 30 30 GLN H H 30 9.518 9.518 8.537 0.981 19713 3704 1 13 . 1 1 31 31 GLN N N 31 125.893 125.893 123.687 2.206 19713 3705 1 13 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.516 0.747 19713 3706 1 13 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.464 -0.454 19713 3707 1 13 . 1 1 31 31 GLN CB C 31 30.396 30.396 28.924 1.472 19713 3708 1 13 . 1 1 31 31 GLN H H 31 9.029 9.029 8.712 0.317 19713 3709 1 13 . 1 1 32 32 HIS N N 32 121.451 121.451 123.442 -1.991 19713 3710 1 13 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.403 0.563 19713 3711 1 13 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.558 -2.044 19713 3712 1 13 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.553 0.108 19713 3713 1 13 . 1 1 32 32 HIS H H 32 8.912 8.912 8.554 0.358 19713 3714 1 13 . 1 1 33 33 ASN N N 33 121.954 121.954 120.771 1.183 19713 3715 1 13 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.959 0.241 19713 3716 1 13 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.021 0.085 19713 3717 1 13 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.870 0.578 19713 3718 1 13 . 1 1 33 33 ASN H H 33 8.940 8.940 8.552 0.388 19713 3719 1 13 . 1 1 34 34 GLN N N 34 123.175 123.175 122.195 0.980 19713 3720 1 13 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.553 0.066 19713 3721 1 13 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.458 0.124 19713 3722 1 13 . 1 1 34 34 GLN CB C 34 32.175 32.175 29.513 2.662 19713 3723 1 13 . 1 1 34 34 GLN H H 34 8.648 8.648 8.507 0.141 19713 3724 1 13 . 1 1 35 35 SER N N 35 118.568 118.568 119.933 -1.365 19713 3725 1 13 . 1 1 35 35 SER HA H 35 4.784 4.784 4.358 0.426 19713 3726 1 13 . 1 1 35 35 SER CA C 35 57.693 57.693 58.920 -1.227 19713 3727 1 13 . 1 1 35 35 SER CB C 35 64.218 64.218 63.510 0.708 19713 3728 1 13 . 1 1 35 35 SER H H 35 8.744 8.744 8.390 0.354 19713 3729 1 13 . 1 1 36 36 ASP N N 36 127.988 127.988 127.440 0.548 19713 3730 1 13 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.846 0.141 19713 3731 1 13 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.962 0.170 19713 3732 1 13 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.992 -0.088 19713 3733 1 13 . 1 1 36 36 ASP H H 36 8.909 8.909 8.268 0.640 19713 3734 1 13 . 1 1 37 37 VAL N N 37 122.751 122.751 122.980 -0.229 19713 3735 1 13 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.416 0.561 19713 3736 1 13 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.640 0.181 19713 3737 1 13 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.222 0.877 19713 3738 1 13 . 1 1 37 37 VAL H H 37 8.691 8.691 8.468 0.223 19713 3739 1 13 . 1 1 38 38 TRP N N 38 128.913 128.913 127.670 1.243 19713 3740 1 13 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.064 0.018 19713 3741 1 13 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.737 1.036 19713 3742 1 13 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.587 2.621 19713 3743 1 13 . 1 1 38 38 TRP H H 38 9.644 9.644 7.795 1.849 19713 3744 1 13 . 1 1 39 39 LEU N N 39 122.523 122.523 121.303 1.220 19713 3745 1 13 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.667 0.184 19713 3746 1 13 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.118 -1.711 19713 3747 1 13 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.701 2.197 19713 3748 1 13 . 1 1 39 39 LEU H H 39 9.378 9.378 8.346 1.032 19713 3749 1 13 . 1 1 40 40 ALA N N 40 129.759 129.759 125.681 4.078 19713 3750 1 13 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.421 0.157 19713 3751 1 13 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.765 1.526 19713 3752 1 13 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.098 -0.062 19713 3753 1 13 . 1 1 40 40 ALA H H 40 8.806 8.806 8.429 0.377 19713 3754 1 13 . 1 1 41 41 ASP N N 41 115.611 115.611 119.489 -3.878 19713 3755 1 13 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.634 0.191 19713 3756 1 13 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.130 -1.113 19713 3757 1 13 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.628 -1.011 19713 3758 1 13 . 1 1 41 41 ASP H H 41 7.774 7.774 8.349 -0.575 19713 3759 1 13 . 1 1 42 42 GLU N N 42 123.031 123.031 124.878 -1.847 19713 3760 1 13 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.859 -0.225 19713 3761 1 13 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.615 0.074 19713 3762 1 13 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.639 -1.006 19713 3763 1 13 . 1 1 42 42 GLU H H 42 8.508 8.508 8.234 0.274 19713 3764 1 13 . 1 1 43 43 SER N N 43 116.358 116.358 114.793 1.565 19713 3765 1 13 . 1 1 43 43 SER HA H 43 4.373 4.373 4.151 0.222 19713 3766 1 13 . 1 1 43 43 SER CA C 43 61.171 61.171 61.202 -0.030 19713 3767 1 13 . 1 1 43 43 SER CB C 43 62.526 62.526 63.012 -0.486 19713 3768 1 13 . 1 1 43 43 SER H H 43 8.325 8.325 7.926 0.399 19713 3769 1 13 . 1 1 44 44 GLN N N 44 118.846 118.846 118.767 0.079 19713 3770 1 13 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.304 0.358 19713 3771 1 13 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.248 -1.775 19713 3772 1 13 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.275 -0.140 19713 3773 1 13 . 1 1 44 44 GLN H H 44 7.741 7.741 8.123 -0.382 19713 3774 1 13 . 1 1 45 45 ALA N N 45 122.785 122.785 122.427 0.358 19713 3775 1 13 . 1 1 45 45 ALA HA H 45 3.550 3.550 4.022 -0.472 19713 3776 1 13 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.164 1.799 19713 3777 1 13 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.340 0.457 19713 3778 1 13 . 1 1 45 45 ALA H H 45 7.567 7.567 7.830 -0.263 19713 3779 1 13 . 1 1 46 46 GLU N N 46 116.794 116.794 117.950 -1.156 19713 3780 1 13 . 1 1 46 46 GLU HA H 46 4.032 4.032 4.049 -0.017 19713 3781 1 13 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.327 0.493 19713 3782 1 13 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.488 -0.801 19713 3783 1 13 . 1 1 46 46 GLU H H 46 8.686 8.686 7.959 0.727 19713 3784 1 13 . 1 1 47 47 ARG N N 47 122.101 122.101 120.209 1.892 19713 3785 1 13 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.076 0.169 19713 3786 1 13 . 1 1 47 47 ARG CA C 47 58.813 58.813 58.995 -0.182 19713 3787 1 13 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.462 0.604 19713 3788 1 13 . 1 1 47 47 ARG H H 47 8.042 8.042 8.147 -0.105 19713 3789 1 13 . 1 1 48 48 VAL N N 48 118.395 118.395 117.472 0.923 19713 3790 1 13 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.897 -0.247 19713 3791 1 13 . 1 1 48 48 VAL CA C 48 66.962 66.962 64.852 2.110 19713 3792 1 13 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.808 0.445 19713 3793 1 13 . 1 1 48 48 VAL H H 48 8.466 8.466 8.445 0.021 19713 3794 1 13 . 1 1 49 49 ARG N N 49 119.126 119.126 121.160 -2.034 19713 3795 1 13 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.969 -0.097 19713 3796 1 13 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.903 0.853 19713 3797 1 13 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.943 -0.384 19713 3798 1 13 . 1 1 49 49 ARG H H 49 8.604 8.604 7.708 0.896 19713 3799 1 13 . 1 1 50 50 ALA N N 50 123.287 123.287 121.912 1.375 19713 3800 1 13 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.148 0.126 19713 3801 1 13 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.191 -0.069 19713 3802 1 13 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.103 -0.095 19713 3803 1 13 . 1 1 50 50 ALA H H 50 8.081 8.081 8.075 0.006 19713 3804 1 13 . 1 1 51 51 GLU N N 51 118.576 118.576 118.774 -0.198 19713 3805 1 13 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.021 0.428 19713 3806 1 13 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.735 -0.394 19713 3807 1 13 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.230 0.888 19713 3808 1 13 . 1 1 51 51 GLU H H 51 8.386 8.386 7.797 0.589 19713 3809 1 13 . 1 1 52 52 LEU N N 52 122.397 122.397 120.606 1.791 19713 3810 1 13 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.079 -0.141 19713 3811 1 13 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.444 -0.699 19713 3812 1 13 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.761 -0.518 19713 3813 1 13 . 1 1 52 52 LEU H H 52 8.976 8.976 8.451 0.525 19713 3814 1 13 . 1 1 53 53 ALA N N 53 119.025 119.025 120.918 -1.893 19713 3815 1 13 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.980 0.074 19713 3816 1 13 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.153 -0.059 19713 3817 1 13 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.154 -0.557 19713 3818 1 13 . 1 1 53 53 ALA H H 53 7.418 7.418 7.975 -0.557 19713 3819 1 13 . 1 1 54 54 ARG N N 54 116.311 116.311 117.494 -1.183 19713 3820 1 13 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.202 -0.066 19713 3821 1 13 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.237 0.449 19713 3822 1 13 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.356 0.084 19713 3823 1 13 . 1 1 54 54 ARG H H 54 7.316 7.316 7.809 -0.493 19713 3824 1 13 . 1 1 55 55 PHE N N 55 122.048 122.048 121.096 0.952 19713 3825 1 13 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.394 -0.361 19713 3826 1 13 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.648 1.138 19713 3827 1 13 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.648 0.408 19713 3828 1 13 . 1 1 55 55 PHE H H 55 8.729 8.729 7.975 0.754 19713 3829 1 13 . 1 1 56 56 LEU N N 56 116.538 116.538 120.891 -4.353 19713 3830 1 13 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.907 0.136 19713 3831 1 13 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.815 -2.098 19713 3832 1 13 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.901 0.134 19713 3833 1 13 . 1 1 56 56 LEU H H 56 8.133 8.133 8.856 -0.723 19713 3834 1 13 . 1 1 57 57 GLU N N 57 118.454 118.454 116.815 1.639 19713 3835 1 13 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.160 -0.056 19713 3836 1 13 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.809 0.745 19713 3837 1 13 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.689 0.337 19713 3838 1 13 . 1 1 57 57 GLU H H 57 7.479 7.479 8.000 -0.521 19713 3839 1 13 . 1 1 58 58 ASN N N 58 116.134 116.134 119.812 -3.678 19713 3840 1 13 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.994 -0.088 19713 3841 1 13 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.177 0.987 19713 3842 1 13 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.984 -0.173 19713 3843 1 13 . 1 1 58 58 ASN H H 58 7.722 7.722 7.768 -0.046 19713 3844 1 13 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.295 -0.205 19713 3845 1 13 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.352 0.531 19713 3846 1 13 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.778 1.078 19713 3847 1 13 . 1 1 60 60 ALA N N 60 123.290 123.290 127.519 -4.229 19713 3848 1 13 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.324 -0.128 19713 3849 1 13 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.847 0.030 19713 3850 1 13 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.441 -1.543 19713 3851 1 13 . 1 1 60 60 ALA H H 60 7.995 7.995 7.918 0.077 19713 3852 1 13 . 1 1 61 61 ASP N N 61 118.409 118.409 119.069 -0.660 19713 3853 1 13 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.575 0.000 19713 3854 1 13 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.962 -1.688 19713 3855 1 13 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.822 -0.935 19713 3856 1 13 . 1 1 61 61 ASP H H 61 7.985 7.985 8.156 -0.171 19713 3857 1 13 . 1 1 62 62 LEU N N 62 121.754 121.754 118.585 3.169 19713 3858 1 13 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.208 -0.038 19713 3859 1 13 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.070 -1.397 19713 3860 1 13 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.422 0.570 19713 3861 1 13 . 1 1 62 62 LEU H H 62 7.921 7.921 8.291 -0.370 19713 3862 1 14 . 1 1 2 2 LEU N N 2 123.873 123.873 125.282 -1.409 19713 3863 1 14 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.763 0.077 19713 3864 1 14 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.748 -1.049 19713 3865 1 14 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.577 2.966 19713 3866 1 14 . 1 1 2 2 LEU H H 2 8.977 8.977 8.395 0.582 19713 3867 1 14 . 1 1 3 3 MET N N 3 128.873 128.873 124.243 4.630 19713 3868 1 14 . 1 1 3 3 MET HA H 3 3.402 3.402 4.395 -0.993 19713 3869 1 14 . 1 1 3 3 MET CA C 3 55.648 55.648 55.758 -0.110 19713 3870 1 14 . 1 1 3 3 MET CB C 3 31.068 31.068 32.759 -1.691 19713 3871 1 14 . 1 1 3 3 MET H H 3 8.669 8.669 8.504 0.165 19713 3872 1 14 . 1 1 4 4 ILE N N 4 127.600 127.600 123.468 4.132 19713 3873 1 14 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.017 -0.094 19713 3874 1 14 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.683 -2.019 19713 3875 1 14 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.910 -0.036 19713 3876 1 14 . 1 1 4 4 ILE H H 4 8.843 8.843 8.456 0.387 19713 3877 1 14 . 1 1 5 5 THR N N 5 109.859 109.859 110.204 -0.345 19713 3878 1 14 . 1 1 5 5 THR HA H 5 4.232 4.232 4.207 0.025 19713 3879 1 14 . 1 1 5 5 THR CA C 5 60.044 60.044 61.373 -1.329 19713 3880 1 14 . 1 1 5 5 THR CB C 5 98.915 98.915 68.712 30.203 19713 3881 1 14 . 1 1 5 5 THR H H 5 7.255 7.255 7.472 -0.217 19713 3882 1 14 . 1 1 6 6 SER N N 6 116.037 116.037 116.376 -0.339 19713 3883 1 14 . 1 1 6 6 SER HA H 6 5.353 5.353 4.510 0.843 19713 3884 1 14 . 1 1 6 6 SER CA C 6 56.774 56.774 57.722 -0.948 19713 3885 1 14 . 1 1 6 6 SER CB C 6 64.813 64.813 63.918 0.895 19713 3886 1 14 . 1 1 6 6 SER H H 6 7.717 7.717 7.971 -0.254 19713 3887 1 14 . 1 1 7 7 PHE N N 7 121.810 121.810 124.534 -2.724 19713 3888 1 14 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.690 0.221 19713 3889 1 14 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.558 0.205 19713 3890 1 14 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.450 2.973 19713 3891 1 14 . 1 1 7 7 PHE H H 7 8.928 8.928 8.265 0.663 19713 3892 1 14 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.492 0.103 19713 3893 1 14 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.912 1.666 19713 3894 1 14 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.025 0.025 19713 3895 1 14 . 1 1 9 9 ASN N N 9 116.543 116.543 116.911 -0.368 19713 3896 1 14 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.022 0.228 19713 3897 1 14 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.396 -1.724 19713 3898 1 14 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.666 -0.908 19713 3899 1 14 . 1 1 9 9 ASN H H 9 8.133 8.133 7.981 0.152 19713 3900 1 14 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.459 -0.121 19713 3901 1 14 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.390 -0.812 19713 3902 1 14 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.326 0.029 19713 3903 1 14 . 1 1 11 11 ARG N N 11 118.730 118.730 119.497 -0.767 19713 3904 1 14 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.100 0.054 19713 3905 1 14 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.441 -0.590 19713 3906 1 14 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.266 0.337 19713 3907 1 14 . 1 1 11 11 ARG H H 11 8.091 8.091 8.685 -0.594 19713 3908 1 14 . 1 1 12 12 VAL N N 12 122.396 122.396 119.150 3.246 19713 3909 1 14 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.582 0.053 19713 3910 1 14 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.446 0.086 19713 3911 1 14 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.122 0.640 19713 3912 1 14 . 1 1 12 12 VAL H H 12 7.235 7.235 7.916 -0.681 19713 3913 1 14 . 1 1 13 13 ALA N N 13 119.674 119.674 122.310 -2.636 19713 3914 1 14 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.161 -1.037 19713 3915 1 14 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.759 -1.044 19713 3916 1 14 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.114 0.643 19713 3917 1 14 . 1 1 13 13 ALA H H 13 6.857 6.857 7.643 -0.786 19713 3918 1 14 . 1 1 14 14 GLN N N 14 115.202 115.202 119.289 -4.087 19713 3919 1 14 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.023 -0.340 19713 3920 1 14 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.388 -0.600 19713 3921 1 14 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.274 0.133 19713 3922 1 14 . 1 1 14 14 GLN H H 14 7.800 7.800 8.278 -0.478 19713 3923 1 14 . 1 1 15 15 ALA N N 15 121.416 121.416 122.518 -1.102 19713 3924 1 14 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.016 0.281 19713 3925 1 14 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.075 -0.085 19713 3926 1 14 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.905 -0.169 19713 3927 1 14 . 1 1 15 15 ALA H H 15 7.882 7.882 8.190 -0.308 19713 3928 1 14 . 1 1 16 16 PHE N N 16 120.765 120.765 118.279 2.486 19713 3929 1 14 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.405 -0.793 19713 3930 1 14 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.700 -1.559 19713 3931 1 14 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.165 -0.507 19713 3932 1 14 . 1 1 16 16 PHE H H 16 8.150 8.150 8.666 -0.516 19713 3933 1 14 . 1 1 17 17 VAL N N 17 120.622 120.622 118.411 2.211 19713 3934 1 14 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.575 -0.364 19713 3935 1 14 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.751 0.884 19713 3936 1 14 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.653 -0.150 19713 3937 1 14 . 1 1 17 17 VAL H H 17 8.193 8.193 8.290 -0.097 19713 3938 1 14 . 1 1 18 18 ASP N N 18 123.142 123.142 121.719 1.423 19713 3939 1 14 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.372 0.021 19713 3940 1 14 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.921 -0.372 19713 3941 1 14 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.003 -1.181 19713 3942 1 14 . 1 1 18 18 ASP H H 18 9.093 9.093 8.112 0.981 19713 3943 1 14 . 1 1 19 19 TYR N N 19 122.100 122.100 119.009 3.091 19713 3944 1 14 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.327 0.062 19713 3945 1 14 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.482 0.312 19713 3946 1 14 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.195 -0.208 19713 3947 1 14 . 1 1 19 19 TYR H H 19 8.142 8.142 8.214 -0.072 19713 3948 1 14 . 1 1 20 20 MET N N 20 119.265 119.265 116.733 2.532 19713 3949 1 14 . 1 1 20 20 MET HA H 20 3.987 3.987 3.651 0.336 19713 3950 1 14 . 1 1 20 20 MET CA C 20 56.147 56.147 56.846 -0.699 19713 3951 1 14 . 1 1 20 20 MET CB C 20 28.818 28.818 32.143 -3.325 19713 3952 1 14 . 1 1 20 20 MET H H 20 8.421 8.421 7.609 0.812 19713 3953 1 14 . 1 1 21 21 ALA N N 21 124.076 124.076 122.283 1.793 19713 3954 1 14 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.230 -0.135 19713 3955 1 14 . 1 1 21 21 ALA CA C 21 55.540 55.540 55.007 0.534 19713 3956 1 14 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.249 -0.933 19713 3957 1 14 . 1 1 21 21 ALA H H 21 8.107 8.107 7.860 0.247 19713 3958 1 14 . 1 1 22 22 THR N N 22 111.538 111.538 112.651 -1.113 19713 3959 1 14 . 1 1 22 22 THR HA H 22 4.236 4.236 4.113 0.123 19713 3960 1 14 . 1 1 22 22 THR CA C 22 64.631 64.631 65.007 -0.376 19713 3961 1 14 . 1 1 22 22 THR CB C 22 69.311 69.311 68.486 0.825 19713 3962 1 14 . 1 1 22 22 THR H H 22 7.590 7.590 7.837 -0.247 19713 3963 1 14 . 1 1 23 23 GLN N N 23 118.055 118.055 118.160 -0.105 19713 3964 1 14 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.397 -0.036 19713 3965 1 14 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.789 -2.056 19713 3966 1 14 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.263 -0.416 19713 3967 1 14 . 1 1 23 23 GLN H H 23 7.219 7.219 7.810 -0.591 19713 3968 1 14 . 1 1 24 24 GLY N N 24 106.367 106.367 107.586 -1.219 19713 3969 1 14 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.017 0.466 19713 3970 1 14 . 1 1 24 24 GLY H H 24 7.641 7.641 7.812 -0.171 19713 3971 1 14 . 1 1 25 25 VAL N N 25 120.869 120.869 120.752 0.117 19713 3972 1 14 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.317 -0.055 19713 3973 1 14 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.132 -0.252 19713 3974 1 14 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.075 0.755 19713 3975 1 14 . 1 1 25 25 VAL H H 25 7.664 7.664 8.143 -0.479 19713 3976 1 14 . 1 1 26 26 ILE N N 26 128.372 128.372 127.395 0.977 19713 3977 1 14 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.144 -0.221 19713 3978 1 14 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.316 -0.321 19713 3979 1 14 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.469 -0.533 19713 3980 1 14 . 1 1 26 26 ILE H H 26 9.003 9.003 8.510 0.493 19713 3981 1 14 . 1 1 27 27 LEU N N 27 130.068 130.068 126.464 3.604 19713 3982 1 14 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.694 0.520 19713 3983 1 14 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.846 -0.823 19713 3984 1 14 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.372 0.432 19713 3985 1 14 . 1 1 27 27 LEU H H 27 8.291 8.291 8.296 -0.005 19713 3986 1 14 . 1 1 28 28 THR N N 28 111.171 111.171 115.267 -4.096 19713 3987 1 14 . 1 1 28 28 THR HA H 28 4.763 4.763 4.570 0.193 19713 3988 1 14 . 1 1 28 28 THR CA C 28 60.132 60.132 61.433 -1.301 19713 3989 1 14 . 1 1 28 28 THR CB C 28 71.760 71.760 70.510 1.250 19713 3990 1 14 . 1 1 28 28 THR H H 28 8.948 8.948 8.197 0.751 19713 3991 1 14 . 1 1 29 29 ILE N N 29 121.390 121.390 121.663 -0.273 19713 3992 1 14 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.417 0.893 19713 3993 1 14 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.319 -0.411 19713 3994 1 14 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.784 0.984 19713 3995 1 14 . 1 1 29 29 ILE H H 29 8.713 8.713 8.377 0.336 19713 3996 1 14 . 1 1 30 30 GLN N N 30 127.776 127.776 123.984 3.792 19713 3997 1 14 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.567 0.205 19713 3998 1 14 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.238 -0.609 19713 3999 1 14 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.711 1.598 19713 4000 1 14 . 1 1 30 30 GLN H H 30 9.518 9.518 8.530 0.988 19713 4001 1 14 . 1 1 31 31 GLN N N 31 125.893 125.893 123.204 2.689 19713 4002 1 14 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.480 0.783 19713 4003 1 14 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.631 -0.621 19713 4004 1 14 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.199 1.197 19713 4005 1 14 . 1 1 31 31 GLN H H 31 9.029 9.029 8.660 0.369 19713 4006 1 14 . 1 1 32 32 HIS N N 32 121.451 121.451 123.646 -2.195 19713 4007 1 14 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.403 0.563 19713 4008 1 14 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.481 -1.967 19713 4009 1 14 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.584 0.077 19713 4010 1 14 . 1 1 32 32 HIS H H 32 8.912 8.912 8.625 0.287 19713 4011 1 14 . 1 1 33 33 ASN N N 33 121.954 121.954 117.787 4.167 19713 4012 1 14 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.789 0.411 19713 4013 1 14 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.257 -0.151 19713 4014 1 14 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.118 1.330 19713 4015 1 14 . 1 1 33 33 ASN H H 33 8.940 8.940 8.535 0.405 19713 4016 1 14 . 1 1 34 34 GLN N N 34 123.175 123.175 119.417 3.758 19713 4017 1 14 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.465 0.154 19713 4018 1 14 . 1 1 34 34 GLN CA C 34 55.582 55.582 56.508 -0.926 19713 4019 1 14 . 1 1 34 34 GLN CB C 34 32.175 32.175 29.597 2.578 19713 4020 1 14 . 1 1 34 34 GLN H H 34 8.648 8.648 8.530 0.118 19713 4021 1 14 . 1 1 35 35 SER N N 35 118.568 118.568 115.025 3.543 19713 4022 1 14 . 1 1 35 35 SER HA H 35 4.784 4.784 4.656 0.128 19713 4023 1 14 . 1 1 35 35 SER CA C 35 57.693 57.693 57.878 -0.185 19713 4024 1 14 . 1 1 35 35 SER CB C 35 64.218 64.218 64.088 0.130 19713 4025 1 14 . 1 1 35 35 SER H H 35 8.744 8.744 8.224 0.520 19713 4026 1 14 . 1 1 36 36 ASP N N 36 127.988 127.988 126.172 1.816 19713 4027 1 14 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.999 -0.012 19713 4028 1 14 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.742 0.390 19713 4029 1 14 . 1 1 36 36 ASP CB C 36 41.904 41.904 42.006 -0.102 19713 4030 1 14 . 1 1 36 36 ASP H H 36 8.909 8.909 8.635 0.274 19713 4031 1 14 . 1 1 37 37 VAL N N 37 122.751 122.751 121.950 0.801 19713 4032 1 14 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.435 0.542 19713 4033 1 14 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.770 0.051 19713 4034 1 14 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.284 0.815 19713 4035 1 14 . 1 1 37 37 VAL H H 37 8.691 8.691 8.491 0.200 19713 4036 1 14 . 1 1 38 38 TRP N N 38 128.913 128.913 127.568 1.345 19713 4037 1 14 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.046 0.036 19713 4038 1 14 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.650 1.123 19713 4039 1 14 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.632 2.576 19713 4040 1 14 . 1 1 38 38 TRP H H 38 9.644 9.644 7.824 1.820 19713 4041 1 14 . 1 1 39 39 LEU N N 39 122.523 122.523 121.614 0.909 19713 4042 1 14 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.670 0.181 19713 4043 1 14 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.103 -1.696 19713 4044 1 14 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.592 2.306 19713 4045 1 14 . 1 1 39 39 LEU H H 39 9.378 9.378 8.349 1.029 19713 4046 1 14 . 1 1 40 40 ALA N N 40 129.759 129.759 125.572 4.187 19713 4047 1 14 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.426 0.152 19713 4048 1 14 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.695 1.596 19713 4049 1 14 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.118 -0.082 19713 4050 1 14 . 1 1 40 40 ALA H H 40 8.806 8.806 8.435 0.371 19713 4051 1 14 . 1 1 41 41 ASP N N 41 115.611 115.611 119.276 -3.665 19713 4052 1 14 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.636 0.189 19713 4053 1 14 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.067 -1.050 19713 4054 1 14 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.514 -0.897 19713 4055 1 14 . 1 1 41 41 ASP H H 41 7.774 7.774 8.359 -0.585 19713 4056 1 14 . 1 1 42 42 GLU N N 42 123.031 123.031 124.976 -1.945 19713 4057 1 14 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.957 -0.323 19713 4058 1 14 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.576 0.113 19713 4059 1 14 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.680 -1.047 19713 4060 1 14 . 1 1 42 42 GLU H H 42 8.508 8.508 8.331 0.177 19713 4061 1 14 . 1 1 43 43 SER N N 43 116.358 116.358 115.917 0.441 19713 4062 1 14 . 1 1 43 43 SER HA H 43 4.373 4.373 4.161 0.212 19713 4063 1 14 . 1 1 43 43 SER CA C 43 61.171 61.171 60.731 0.440 19713 4064 1 14 . 1 1 43 43 SER CB C 43 62.526 62.526 63.012 -0.486 19713 4065 1 14 . 1 1 43 43 SER H H 43 8.325 8.325 8.072 0.253 19713 4066 1 14 . 1 1 44 44 GLN N N 44 118.846 118.846 118.752 0.094 19713 4067 1 14 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.407 0.255 19713 4068 1 14 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.327 -1.854 19713 4069 1 14 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.527 -0.392 19713 4070 1 14 . 1 1 44 44 GLN H H 44 7.741 7.741 7.989 -0.248 19713 4071 1 14 . 1 1 45 45 ALA N N 45 122.785 122.785 123.435 -0.650 19713 4072 1 14 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.980 -0.430 19713 4073 1 14 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.222 1.741 19713 4074 1 14 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.114 0.683 19713 4075 1 14 . 1 1 45 45 ALA H H 45 7.567 7.567 7.916 -0.349 19713 4076 1 14 . 1 1 46 46 GLU N N 46 116.794 116.794 118.170 -1.376 19713 4077 1 14 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.977 0.055 19713 4078 1 14 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.645 0.175 19713 4079 1 14 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.252 -0.564 19713 4080 1 14 . 1 1 46 46 GLU H H 46 8.686 8.686 7.980 0.706 19713 4081 1 14 . 1 1 47 47 ARG N N 47 122.101 122.101 120.597 1.504 19713 4082 1 14 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.055 0.190 19713 4083 1 14 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.139 -0.326 19713 4084 1 14 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.033 0.033 19713 4085 1 14 . 1 1 47 47 ARG H H 47 8.042 8.042 8.072 -0.030 19713 4086 1 14 . 1 1 48 48 VAL N N 48 118.395 118.395 116.616 1.779 19713 4087 1 14 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.587 0.063 19713 4088 1 14 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.392 0.570 19713 4089 1 14 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.228 0.026 19713 4090 1 14 . 1 1 48 48 VAL H H 48 8.466 8.466 8.113 0.353 19713 4091 1 14 . 1 1 49 49 ARG N N 49 119.126 119.126 120.398 -1.272 19713 4092 1 14 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.895 -0.024 19713 4093 1 14 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.818 0.938 19713 4094 1 14 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.861 -0.302 19713 4095 1 14 . 1 1 49 49 ARG H H 49 8.604 8.604 7.909 0.695 19713 4096 1 14 . 1 1 50 50 ALA N N 50 123.287 123.287 121.866 1.421 19713 4097 1 14 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.064 0.210 19713 4098 1 14 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.197 -0.075 19713 4099 1 14 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.019 -0.011 19713 4100 1 14 . 1 1 50 50 ALA H H 50 8.081 8.081 8.037 0.044 19713 4101 1 14 . 1 1 51 51 GLU N N 51 118.576 118.576 118.635 -0.059 19713 4102 1 14 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.975 0.474 19713 4103 1 14 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.779 -0.438 19713 4104 1 14 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.103 1.015 19713 4105 1 14 . 1 1 51 51 GLU H H 51 8.386 8.386 7.962 0.424 19713 4106 1 14 . 1 1 52 52 LEU N N 52 122.397 122.397 120.486 1.911 19713 4107 1 14 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.985 -0.047 19713 4108 1 14 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.152 -0.407 19713 4109 1 14 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.724 -0.481 19713 4110 1 14 . 1 1 52 52 LEU H H 52 8.976 8.976 8.491 0.485 19713 4111 1 14 . 1 1 53 53 ALA N N 53 119.025 119.025 120.662 -1.637 19713 4112 1 14 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.976 0.078 19713 4113 1 14 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.142 -0.048 19713 4114 1 14 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.101 -0.504 19713 4115 1 14 . 1 1 53 53 ALA H H 53 7.418 7.418 8.098 -0.680 19713 4116 1 14 . 1 1 54 54 ARG N N 54 116.311 116.311 117.650 -1.339 19713 4117 1 14 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.306 -0.170 19713 4118 1 14 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.579 0.107 19713 4119 1 14 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.431 0.009 19713 4120 1 14 . 1 1 54 54 ARG H H 54 7.316 7.316 7.831 -0.515 19713 4121 1 14 . 1 1 55 55 PHE N N 55 122.048 122.048 120.347 1.701 19713 4122 1 14 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.443 -0.410 19713 4123 1 14 . 1 1 55 55 PHE CA C 55 60.786 60.786 60.268 0.518 19713 4124 1 14 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.710 0.346 19713 4125 1 14 . 1 1 55 55 PHE H H 55 8.729 8.729 7.980 0.749 19713 4126 1 14 . 1 1 56 56 LEU N N 56 116.538 116.538 120.610 -4.072 19713 4127 1 14 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.964 0.079 19713 4128 1 14 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.702 -1.985 19713 4129 1 14 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.947 0.088 19713 4130 1 14 . 1 1 56 56 LEU H H 56 8.133 8.133 8.803 -0.670 19713 4131 1 14 . 1 1 57 57 GLU N N 57 118.454 118.454 117.098 1.356 19713 4132 1 14 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.171 -0.067 19713 4133 1 14 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.865 0.689 19713 4134 1 14 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.763 0.263 19713 4135 1 14 . 1 1 57 57 GLU H H 57 7.479 7.479 7.891 -0.412 19713 4136 1 14 . 1 1 58 58 ASN N N 58 116.134 116.134 119.847 -3.713 19713 4137 1 14 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.028 -0.122 19713 4138 1 14 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.248 0.916 19713 4139 1 14 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.308 0.503 19713 4140 1 14 . 1 1 58 58 ASN H H 58 7.722 7.722 7.831 -0.109 19713 4141 1 14 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.371 -0.281 19713 4142 1 14 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.370 0.513 19713 4143 1 14 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.304 1.552 19713 4144 1 14 . 1 1 60 60 ALA N N 60 123.290 123.290 127.109 -3.819 19713 4145 1 14 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.307 -0.111 19713 4146 1 14 . 1 1 60 60 ALA CA C 60 52.877 52.877 53.001 -0.124 19713 4147 1 14 . 1 1 60 60 ALA CB C 60 18.898 18.898 19.984 -1.086 19713 4148 1 14 . 1 1 60 60 ALA H H 60 7.995 7.995 8.047 -0.052 19713 4149 1 14 . 1 1 61 61 ASP N N 61 118.409 118.409 119.520 -1.111 19713 4150 1 14 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.585 -0.010 19713 4151 1 14 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.730 -1.456 19713 4152 1 14 . 1 1 61 61 ASP CB C 61 40.887 40.887 42.316 -1.429 19713 4153 1 14 . 1 1 61 61 ASP H H 61 7.985 7.985 7.826 0.159 19713 4154 1 14 . 1 1 62 62 LEU N N 62 121.754 121.754 120.346 1.408 19713 4155 1 14 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.283 -0.113 19713 4156 1 14 . 1 1 62 62 LEU CA C 62 55.673 55.673 55.956 -0.283 19713 4157 1 14 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.232 0.760 19713 4158 1 14 . 1 1 62 62 LEU H H 62 7.921 7.921 7.931 -0.010 19713 4159 1 15 . 1 1 2 2 LEU N N 2 123.873 123.873 125.497 -1.624 19713 4160 1 15 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.754 0.086 19713 4161 1 15 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.689 -0.990 19713 4162 1 15 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.361 3.182 19713 4163 1 15 . 1 1 2 2 LEU H H 2 8.977 8.977 8.332 0.645 19713 4164 1 15 . 1 1 3 3 MET N N 3 128.873 128.873 124.037 4.836 19713 4165 1 15 . 1 1 3 3 MET HA H 3 3.402 3.402 4.492 -1.090 19713 4166 1 15 . 1 1 3 3 MET CA C 3 55.648 55.648 55.898 -0.250 19713 4167 1 15 . 1 1 3 3 MET CB C 3 31.068 31.068 32.972 -1.904 19713 4168 1 15 . 1 1 3 3 MET H H 3 8.669 8.669 8.496 0.173 19713 4169 1 15 . 1 1 4 4 ILE N N 4 127.600 127.600 123.963 3.637 19713 4170 1 15 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.139 -0.216 19713 4171 1 15 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.099 -2.435 19713 4172 1 15 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.871 0.003 19713 4173 1 15 . 1 1 4 4 ILE H H 4 8.843 8.843 8.535 0.308 19713 4174 1 15 . 1 1 5 5 THR N N 5 109.859 109.859 111.414 -1.555 19713 4175 1 15 . 1 1 5 5 THR HA H 5 4.232 4.232 4.352 -0.120 19713 4176 1 15 . 1 1 5 5 THR CA C 5 60.044 60.044 61.607 -1.563 19713 4177 1 15 . 1 1 5 5 THR CB C 5 98.915 98.915 69.239 29.676 19713 4178 1 15 . 1 1 5 5 THR H H 5 7.255 7.255 7.694 -0.439 19713 4179 1 15 . 1 1 6 6 SER N N 6 116.037 116.037 116.101 -0.064 19713 4180 1 15 . 1 1 6 6 SER HA H 6 5.353 5.353 4.697 0.656 19713 4181 1 15 . 1 1 6 6 SER CA C 6 56.774 56.774 57.762 -0.988 19713 4182 1 15 . 1 1 6 6 SER CB C 6 64.813 64.813 64.272 0.541 19713 4183 1 15 . 1 1 6 6 SER H H 6 7.717 7.717 8.070 -0.353 19713 4184 1 15 . 1 1 7 7 PHE N N 7 121.810 121.810 123.611 -1.801 19713 4185 1 15 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.589 0.322 19713 4186 1 15 . 1 1 7 7 PHE CA C 7 56.763 56.763 57.394 -0.631 19713 4187 1 15 . 1 1 7 7 PHE CB C 7 43.423 43.423 41.168 2.255 19713 4188 1 15 . 1 1 7 7 PHE H H 7 8.928 8.928 8.406 0.522 19713 4189 1 15 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.496 0.099 19713 4190 1 15 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.936 1.642 19713 4191 1 15 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.062 -0.012 19713 4192 1 15 . 1 1 9 9 ASN N N 9 116.543 116.543 117.375 -0.832 19713 4193 1 15 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.930 0.320 19713 4194 1 15 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.550 -2.878 19713 4195 1 15 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.572 -0.814 19713 4196 1 15 . 1 1 9 9 ASN H H 9 8.133 8.133 7.790 0.343 19713 4197 1 15 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.429 -0.091 19713 4198 1 15 . 1 1 10 10 PRO CA C 10 64.578 64.578 64.975 -0.397 19713 4199 1 15 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.169 0.186 19713 4200 1 15 . 1 1 11 11 ARG N N 11 118.730 118.730 119.295 -0.565 19713 4201 1 15 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.023 0.131 19713 4202 1 15 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.763 -0.912 19713 4203 1 15 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.107 0.496 19713 4204 1 15 . 1 1 11 11 ARG H H 11 8.091 8.091 8.739 -0.648 19713 4205 1 15 . 1 1 12 12 VAL N N 12 122.396 122.396 119.031 3.365 19713 4206 1 15 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.721 -0.086 19713 4207 1 15 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.632 -0.100 19713 4208 1 15 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.837 0.925 19713 4209 1 15 . 1 1 12 12 VAL H H 12 7.235 7.235 7.875 -0.640 19713 4210 1 15 . 1 1 13 13 ALA N N 13 119.674 119.674 122.447 -2.773 19713 4211 1 15 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.564 -0.440 19713 4212 1 15 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.440 -0.725 19713 4213 1 15 . 1 1 13 13 ALA CB C 13 18.757 18.757 17.960 0.797 19713 4214 1 15 . 1 1 13 13 ALA H H 13 6.857 6.857 7.591 -0.734 19713 4215 1 15 . 1 1 14 14 GLN N N 14 115.202 115.202 119.161 -3.959 19713 4216 1 15 . 1 1 14 14 GLN HA H 14 3.683 3.683 3.945 -0.262 19713 4217 1 15 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.328 -0.540 19713 4218 1 15 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.189 0.217 19713 4219 1 15 . 1 1 14 14 GLN H H 14 7.800 7.800 8.304 -0.504 19713 4220 1 15 . 1 1 15 15 ALA N N 15 121.416 121.416 122.175 -0.759 19713 4221 1 15 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.965 0.332 19713 4222 1 15 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.115 -0.125 19713 4223 1 15 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.217 -0.481 19713 4224 1 15 . 1 1 15 15 ALA H H 15 7.882 7.882 7.899 -0.017 19713 4225 1 15 . 1 1 16 16 PHE N N 16 120.765 120.765 118.058 2.707 19713 4226 1 15 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.390 -0.778 19713 4227 1 15 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.403 -1.262 19713 4228 1 15 . 1 1 16 16 PHE CB C 16 38.658 38.658 38.774 -0.116 19713 4229 1 15 . 1 1 16 16 PHE H H 16 8.150 8.150 8.506 -0.356 19713 4230 1 15 . 1 1 17 17 VAL N N 17 120.622 120.622 117.453 3.169 19713 4231 1 15 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.561 -0.350 19713 4232 1 15 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.428 1.207 19713 4233 1 15 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.131 0.372 19713 4234 1 15 . 1 1 17 17 VAL H H 17 8.193 8.193 8.173 0.020 19713 4235 1 15 . 1 1 18 18 ASP N N 18 123.142 123.142 121.904 1.238 19713 4236 1 15 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.370 0.023 19713 4237 1 15 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.273 0.276 19713 4238 1 15 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.821 -0.999 19713 4239 1 15 . 1 1 18 18 ASP H H 18 9.093 9.093 8.115 0.978 19713 4240 1 15 . 1 1 19 19 TYR N N 19 122.100 122.100 118.722 3.378 19713 4241 1 15 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.335 0.054 19713 4242 1 15 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.242 0.552 19713 4243 1 15 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.965 0.022 19713 4244 1 15 . 1 1 19 19 TYR H H 19 8.142 8.142 7.970 0.172 19713 4245 1 15 . 1 1 20 20 MET N N 20 119.265 119.265 116.511 2.754 19713 4246 1 15 . 1 1 20 20 MET HA H 20 3.987 3.987 3.750 0.237 19713 4247 1 15 . 1 1 20 20 MET CA C 20 56.147 56.147 56.827 -0.680 19713 4248 1 15 . 1 1 20 20 MET CB C 20 28.818 28.818 32.104 -3.286 19713 4249 1 15 . 1 1 20 20 MET H H 20 8.421 8.421 7.344 1.077 19713 4250 1 15 . 1 1 21 21 ALA N N 21 124.076 124.076 122.332 1.744 19713 4251 1 15 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.219 -0.124 19713 4252 1 15 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.836 0.705 19713 4253 1 15 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.303 -0.987 19713 4254 1 15 . 1 1 21 21 ALA H H 21 8.107 8.107 7.913 0.194 19713 4255 1 15 . 1 1 22 22 THR N N 22 111.538 111.538 112.170 -0.632 19713 4256 1 15 . 1 1 22 22 THR HA H 22 4.236 4.236 4.096 0.140 19713 4257 1 15 . 1 1 22 22 THR CA C 22 64.631 64.631 64.520 0.111 19713 4258 1 15 . 1 1 22 22 THR CB C 22 69.311 69.311 68.726 0.585 19713 4259 1 15 . 1 1 22 22 THR H H 22 7.590 7.590 7.823 -0.233 19713 4260 1 15 . 1 1 23 23 GLN N N 23 118.055 118.055 118.295 -0.240 19713 4261 1 15 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.349 0.012 19713 4262 1 15 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.642 -1.909 19713 4263 1 15 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.125 -0.278 19713 4264 1 15 . 1 1 23 23 GLN H H 23 7.219 7.219 7.455 -0.236 19713 4265 1 15 . 1 1 24 24 GLY N N 24 106.367 106.367 107.610 -1.243 19713 4266 1 15 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.122 0.362 19713 4267 1 15 . 1 1 24 24 GLY H H 24 7.641 7.641 7.903 -0.262 19713 4268 1 15 . 1 1 25 25 VAL N N 25 120.869 120.869 121.345 -0.476 19713 4269 1 15 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.279 -0.017 19713 4270 1 15 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.975 -0.095 19713 4271 1 15 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.768 1.062 19713 4272 1 15 . 1 1 25 25 VAL H H 25 7.664 7.664 7.979 -0.315 19713 4273 1 15 . 1 1 26 26 ILE N N 26 128.372 128.372 128.230 0.142 19713 4274 1 15 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.130 -0.207 19713 4275 1 15 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.044 -0.049 19713 4276 1 15 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.195 -0.259 19713 4277 1 15 . 1 1 26 26 ILE H H 26 9.003 9.003 8.479 0.524 19713 4278 1 15 . 1 1 27 27 LEU N N 27 130.068 130.068 127.696 2.372 19713 4279 1 15 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.761 0.453 19713 4280 1 15 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.324 -0.301 19713 4281 1 15 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.683 0.121 19713 4282 1 15 . 1 1 27 27 LEU H H 27 8.291 8.291 8.386 -0.095 19713 4283 1 15 . 1 1 28 28 THR N N 28 111.171 111.171 115.266 -4.095 19713 4284 1 15 . 1 1 28 28 THR HA H 28 4.763 4.763 4.522 0.241 19713 4285 1 15 . 1 1 28 28 THR CA C 28 60.132 60.132 61.296 -1.164 19713 4286 1 15 . 1 1 28 28 THR CB C 28 71.760 71.760 70.767 0.993 19713 4287 1 15 . 1 1 28 28 THR H H 28 8.948 8.948 8.233 0.715 19713 4288 1 15 . 1 1 29 29 ILE N N 29 121.390 121.390 121.436 -0.046 19713 4289 1 15 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.443 0.867 19713 4290 1 15 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.145 -0.236 19713 4291 1 15 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.623 1.145 19713 4292 1 15 . 1 1 29 29 ILE H H 29 8.713 8.713 8.394 0.319 19713 4293 1 15 . 1 1 30 30 GLN N N 30 127.776 127.776 123.997 3.779 19713 4294 1 15 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.556 0.216 19713 4295 1 15 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.209 -0.580 19713 4296 1 15 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.719 1.590 19713 4297 1 15 . 1 1 30 30 GLN H H 30 9.518 9.518 8.515 1.003 19713 4298 1 15 . 1 1 31 31 GLN N N 31 125.893 125.893 123.303 2.590 19713 4299 1 15 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.487 0.776 19713 4300 1 15 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.603 -0.593 19713 4301 1 15 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.201 1.195 19713 4302 1 15 . 1 1 31 31 GLN H H 31 9.029 9.029 8.654 0.375 19713 4303 1 15 . 1 1 32 32 HIS N N 32 121.451 121.451 124.398 -2.947 19713 4304 1 15 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.365 0.601 19713 4305 1 15 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.565 -2.051 19713 4306 1 15 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.692 -0.031 19713 4307 1 15 . 1 1 32 32 HIS H H 32 8.912 8.912 8.678 0.234 19713 4308 1 15 . 1 1 33 33 ASN N N 33 121.954 121.954 119.827 2.127 19713 4309 1 15 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.896 0.304 19713 4310 1 15 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.907 0.198 19713 4311 1 15 . 1 1 33 33 ASN CB C 33 40.448 40.448 39.677 0.771 19713 4312 1 15 . 1 1 33 33 ASN H H 33 8.940 8.940 8.608 0.332 19713 4313 1 15 . 1 1 34 34 GLN N N 34 123.175 123.175 121.511 1.664 19713 4314 1 15 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.695 -0.076 19713 4315 1 15 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.578 0.004 19713 4316 1 15 . 1 1 34 34 GLN CB C 34 32.175 32.175 30.803 1.372 19713 4317 1 15 . 1 1 34 34 GLN H H 34 8.648 8.648 8.544 0.104 19713 4318 1 15 . 1 1 35 35 SER N N 35 118.568 118.568 117.033 1.535 19713 4319 1 15 . 1 1 35 35 SER HA H 35 4.784 4.784 4.709 0.075 19713 4320 1 15 . 1 1 35 35 SER CA C 35 57.693 57.693 57.960 -0.267 19713 4321 1 15 . 1 1 35 35 SER CB C 35 64.218 64.218 64.083 0.135 19713 4322 1 15 . 1 1 35 35 SER H H 35 8.744 8.744 8.357 0.387 19713 4323 1 15 . 1 1 36 36 ASP N N 36 127.988 127.988 124.934 3.054 19713 4324 1 15 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.812 0.175 19713 4325 1 15 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.931 0.201 19713 4326 1 15 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.849 0.055 19713 4327 1 15 . 1 1 36 36 ASP H H 36 8.909 8.909 8.506 0.403 19713 4328 1 15 . 1 1 37 37 VAL N N 37 122.751 122.751 122.781 -0.030 19713 4329 1 15 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.403 0.574 19713 4330 1 15 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.914 -0.093 19713 4331 1 15 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.318 0.781 19713 4332 1 15 . 1 1 37 37 VAL H H 37 8.691 8.691 8.422 0.269 19713 4333 1 15 . 1 1 38 38 TRP N N 38 128.913 128.913 127.605 1.308 19713 4334 1 15 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.046 0.036 19713 4335 1 15 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.687 1.086 19713 4336 1 15 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.577 2.631 19713 4337 1 15 . 1 1 38 38 TRP H H 38 9.644 9.644 7.801 1.843 19713 4338 1 15 . 1 1 39 39 LEU N N 39 122.523 122.523 121.522 1.001 19713 4339 1 15 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.661 0.190 19713 4340 1 15 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.057 -1.651 19713 4341 1 15 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.613 2.285 19713 4342 1 15 . 1 1 39 39 LEU H H 39 9.378 9.378 8.337 1.041 19713 4343 1 15 . 1 1 40 40 ALA N N 40 129.759 129.759 125.565 4.194 19713 4344 1 15 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.410 0.168 19713 4345 1 15 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.760 1.532 19713 4346 1 15 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.090 -0.054 19713 4347 1 15 . 1 1 40 40 ALA H H 40 8.806 8.806 8.424 0.382 19713 4348 1 15 . 1 1 41 41 ASP N N 41 115.611 115.611 119.543 -3.932 19713 4349 1 15 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.626 0.199 19713 4350 1 15 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.100 -1.083 19713 4351 1 15 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.703 -1.086 19713 4352 1 15 . 1 1 41 41 ASP H H 41 7.774 7.774 8.326 -0.552 19713 4353 1 15 . 1 1 42 42 GLU N N 42 123.031 123.031 124.636 -1.605 19713 4354 1 15 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.881 -0.247 19713 4355 1 15 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.555 0.134 19713 4356 1 15 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.592 -0.959 19713 4357 1 15 . 1 1 42 42 GLU H H 42 8.508 8.508 8.271 0.237 19713 4358 1 15 . 1 1 43 43 SER N N 43 116.358 116.358 113.886 2.472 19713 4359 1 15 . 1 1 43 43 SER HA H 43 4.373 4.373 4.154 0.219 19713 4360 1 15 . 1 1 43 43 SER CA C 43 61.171 61.171 60.796 0.375 19713 4361 1 15 . 1 1 43 43 SER CB C 43 62.526 62.526 63.127 -0.601 19713 4362 1 15 . 1 1 43 43 SER H H 43 8.325 8.325 7.820 0.505 19713 4363 1 15 . 1 1 44 44 GLN N N 44 118.846 118.846 118.629 0.217 19713 4364 1 15 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.383 0.279 19713 4365 1 15 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.229 -1.756 19713 4366 1 15 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.565 -0.430 19713 4367 1 15 . 1 1 44 44 GLN H H 44 7.741 7.741 8.122 -0.381 19713 4368 1 15 . 1 1 45 45 ALA N N 45 122.785 122.785 123.207 -0.422 19713 4369 1 15 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.946 -0.396 19713 4370 1 15 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.344 1.619 19713 4371 1 15 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.075 0.722 19713 4372 1 15 . 1 1 45 45 ALA H H 45 7.567 7.567 7.711 -0.144 19713 4373 1 15 . 1 1 46 46 GLU N N 46 116.794 116.794 118.143 -1.349 19713 4374 1 15 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.932 0.100 19713 4375 1 15 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.645 0.175 19713 4376 1 15 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.155 -0.467 19713 4377 1 15 . 1 1 46 46 GLU H H 46 8.686 8.686 7.978 0.708 19713 4378 1 15 . 1 1 47 47 ARG N N 47 122.101 122.101 120.421 1.680 19713 4379 1 15 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.059 0.186 19713 4380 1 15 . 1 1 47 47 ARG CA C 47 58.813 58.813 58.968 -0.155 19713 4381 1 15 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.058 0.008 19713 4382 1 15 . 1 1 47 47 ARG H H 47 8.042 8.042 7.946 0.096 19713 4383 1 15 . 1 1 48 48 VAL N N 48 118.395 118.395 116.078 2.317 19713 4384 1 15 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.618 0.032 19713 4385 1 15 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.333 0.629 19713 4386 1 15 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.066 0.188 19713 4387 1 15 . 1 1 48 48 VAL H H 48 8.466 8.466 8.331 0.135 19713 4388 1 15 . 1 1 49 49 ARG N N 49 119.126 119.126 120.728 -1.602 19713 4389 1 15 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.958 -0.087 19713 4390 1 15 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.662 1.094 19713 4391 1 15 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.905 -0.346 19713 4392 1 15 . 1 1 49 49 ARG H H 49 8.604 8.604 7.973 0.631 19713 4393 1 15 . 1 1 50 50 ALA N N 50 123.287 123.287 121.837 1.450 19713 4394 1 15 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.057 0.217 19713 4395 1 15 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.264 -0.141 19713 4396 1 15 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.024 -0.016 19713 4397 1 15 . 1 1 50 50 ALA H H 50 8.081 8.081 8.054 0.027 19713 4398 1 15 . 1 1 51 51 GLU N N 51 118.576 118.576 118.454 0.122 19713 4399 1 15 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.023 0.426 19713 4400 1 15 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.761 -0.421 19713 4401 1 15 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.172 0.946 19713 4402 1 15 . 1 1 51 51 GLU H H 51 8.386 8.386 8.131 0.255 19713 4403 1 15 . 1 1 52 52 LEU N N 52 122.397 122.397 120.706 1.691 19713 4404 1 15 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.952 -0.014 19713 4405 1 15 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.352 -0.607 19713 4406 1 15 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.693 -0.450 19713 4407 1 15 . 1 1 52 52 LEU H H 52 8.976 8.976 8.293 0.683 19713 4408 1 15 . 1 1 53 53 ALA N N 53 119.025 119.025 120.928 -1.903 19713 4409 1 15 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.975 0.078 19713 4410 1 15 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.257 -0.163 19713 4411 1 15 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.211 -0.614 19713 4412 1 15 . 1 1 53 53 ALA H H 53 7.418 7.418 8.104 -0.686 19713 4413 1 15 . 1 1 54 54 ARG N N 54 116.311 116.311 117.359 -1.048 19713 4414 1 15 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.148 -0.012 19713 4415 1 15 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.222 0.464 19713 4416 1 15 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.228 0.212 19713 4417 1 15 . 1 1 54 54 ARG H H 54 7.316 7.316 7.855 -0.539 19713 4418 1 15 . 1 1 55 55 PHE N N 55 122.048 122.048 121.123 0.925 19713 4419 1 15 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.457 -0.424 19713 4420 1 15 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.555 1.231 19713 4421 1 15 . 1 1 55 55 PHE CB C 55 40.056 40.056 40.041 0.015 19713 4422 1 15 . 1 1 55 55 PHE H H 55 8.729 8.729 8.111 0.618 19713 4423 1 15 . 1 1 56 56 LEU N N 56 116.538 116.538 119.892 -3.354 19713 4424 1 15 . 1 1 56 56 LEU HA H 56 4.043 4.043 4.110 -0.067 19713 4425 1 15 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.792 -2.075 19713 4426 1 15 . 1 1 56 56 LEU CB C 56 42.035 42.035 42.093 -0.058 19713 4427 1 15 . 1 1 56 56 LEU H H 56 8.133 8.133 8.647 -0.514 19713 4428 1 15 . 1 1 57 57 GLU N N 57 118.454 118.454 115.755 2.699 19713 4429 1 15 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.218 -0.114 19713 4430 1 15 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.724 0.830 19713 4431 1 15 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.636 0.390 19713 4432 1 15 . 1 1 57 57 GLU H H 57 7.479 7.479 7.725 -0.246 19713 4433 1 15 . 1 1 58 58 ASN N N 58 116.134 116.134 120.112 -3.978 19713 4434 1 15 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.996 -0.090 19713 4435 1 15 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.190 0.974 19713 4436 1 15 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.787 0.024 19713 4437 1 15 . 1 1 58 58 ASN H H 58 7.722 7.722 7.938 -0.216 19713 4438 1 15 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.472 -0.382 19713 4439 1 15 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.449 0.434 19713 4440 1 15 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.318 1.538 19713 4441 1 15 . 1 1 60 60 ALA N N 60 123.290 123.290 126.808 -3.518 19713 4442 1 15 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.410 -0.214 19713 4443 1 15 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.642 0.235 19713 4444 1 15 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.395 -1.497 19713 4445 1 15 . 1 1 60 60 ALA H H 60 7.995 7.995 8.176 -0.181 19713 4446 1 15 . 1 1 61 61 ASP N N 61 118.409 118.409 119.462 -1.053 19713 4447 1 15 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.551 0.024 19713 4448 1 15 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.285 -2.011 19713 4449 1 15 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.543 -0.656 19713 4450 1 15 . 1 1 61 61 ASP H H 61 7.985 7.985 8.372 -0.387 19713 4451 1 15 . 1 1 62 62 LEU N N 62 121.754 121.754 117.560 4.194 19713 4452 1 15 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.160 0.010 19713 4453 1 15 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.079 -1.406 19713 4454 1 15 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.849 0.143 19713 4455 1 15 . 1 1 62 62 LEU H H 62 7.921 7.921 8.713 -0.792 19713 4456 1 16 . 1 1 2 2 LEU N N 2 123.873 123.873 125.372 -1.499 19713 4457 1 16 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.722 0.118 19713 4458 1 16 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.676 -0.977 19713 4459 1 16 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.195 3.348 19713 4460 1 16 . 1 1 2 2 LEU H H 2 8.977 8.977 8.315 0.662 19713 4461 1 16 . 1 1 3 3 MET N N 3 128.873 128.873 124.852 4.021 19713 4462 1 16 . 1 1 3 3 MET HA H 3 3.402 3.402 4.447 -1.045 19713 4463 1 16 . 1 1 3 3 MET CA C 3 55.648 55.648 55.919 -0.271 19713 4464 1 16 . 1 1 3 3 MET CB C 3 31.068 31.068 32.903 -1.835 19713 4465 1 16 . 1 1 3 3 MET H H 3 8.669 8.669 8.513 0.156 19713 4466 1 16 . 1 1 4 4 ILE N N 4 127.600 127.600 123.081 4.519 19713 4467 1 16 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.054 -0.131 19713 4468 1 16 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.056 -2.393 19713 4469 1 16 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.861 0.013 19713 4470 1 16 . 1 1 4 4 ILE H H 4 8.843 8.843 8.494 0.349 19713 4471 1 16 . 1 1 5 5 THR N N 5 109.859 109.859 110.765 -0.906 19713 4472 1 16 . 1 1 5 5 THR HA H 5 4.232 4.232 4.254 -0.022 19713 4473 1 16 . 1 1 5 5 THR CA C 5 60.044 60.044 61.465 -1.421 19713 4474 1 16 . 1 1 5 5 THR CB C 5 98.915 98.915 68.795 30.120 19713 4475 1 16 . 1 1 5 5 THR H H 5 7.255 7.255 7.515 -0.260 19713 4476 1 16 . 1 1 6 6 SER N N 6 116.037 116.037 116.605 -0.568 19713 4477 1 16 . 1 1 6 6 SER HA H 6 5.353 5.353 4.611 0.742 19713 4478 1 16 . 1 1 6 6 SER CA C 6 56.774 56.774 57.651 -0.877 19713 4479 1 16 . 1 1 6 6 SER CB C 6 64.813 64.813 63.985 0.828 19713 4480 1 16 . 1 1 6 6 SER H H 6 7.717 7.717 8.005 -0.288 19713 4481 1 16 . 1 1 7 7 PHE N N 7 121.810 121.810 124.229 -2.419 19713 4482 1 16 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.615 0.296 19713 4483 1 16 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.538 0.225 19713 4484 1 16 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.231 3.192 19713 4485 1 16 . 1 1 7 7 PHE H H 7 8.928 8.928 8.296 0.632 19713 4486 1 16 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.466 0.129 19713 4487 1 16 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.044 1.534 19713 4488 1 16 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.154 -0.104 19713 4489 1 16 . 1 1 9 9 ASN N N 9 116.543 116.543 117.566 -1.023 19713 4490 1 16 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.871 0.379 19713 4491 1 16 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.429 -2.757 19713 4492 1 16 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.342 -0.584 19713 4493 1 16 . 1 1 9 9 ASN H H 9 8.133 8.133 8.033 0.100 19713 4494 1 16 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.448 -0.110 19713 4495 1 16 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.075 -0.497 19713 4496 1 16 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.313 0.042 19713 4497 1 16 . 1 1 11 11 ARG N N 11 118.730 118.730 119.317 -0.587 19713 4498 1 16 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.101 0.053 19713 4499 1 16 . 1 1 11 11 ARG CA C 11 58.851 58.851 58.651 0.200 19713 4500 1 16 . 1 1 11 11 ARG CB C 11 29.603 29.603 28.391 1.212 19713 4501 1 16 . 1 1 11 11 ARG H H 11 8.091 8.091 8.799 -0.708 19713 4502 1 16 . 1 1 12 12 VAL N N 12 122.396 122.396 119.600 2.796 19713 4503 1 16 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.803 -0.168 19713 4504 1 16 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.803 -0.271 19713 4505 1 16 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.706 1.056 19713 4506 1 16 . 1 1 12 12 VAL H H 12 7.235 7.235 7.844 -0.609 19713 4507 1 16 . 1 1 13 13 ALA N N 13 119.674 119.674 122.826 -3.152 19713 4508 1 16 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.993 -0.869 19713 4509 1 16 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.719 -1.004 19713 4510 1 16 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.073 0.684 19713 4511 1 16 . 1 1 13 13 ALA H H 13 6.857 6.857 7.903 -1.046 19713 4512 1 16 . 1 1 14 14 GLN N N 14 115.202 115.202 119.246 -4.044 19713 4513 1 16 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.010 -0.327 19713 4514 1 16 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.396 -0.608 19713 4515 1 16 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.251 0.156 19713 4516 1 16 . 1 1 14 14 GLN H H 14 7.800 7.800 8.247 -0.447 19713 4517 1 16 . 1 1 15 15 ALA N N 15 121.416 121.416 122.446 -1.030 19713 4518 1 16 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.028 0.269 19713 4519 1 16 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.102 -0.112 19713 4520 1 16 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.011 -0.275 19713 4521 1 16 . 1 1 15 15 ALA H H 15 7.882 7.882 7.915 -0.033 19713 4522 1 16 . 1 1 16 16 PHE N N 16 120.765 120.765 118.075 2.690 19713 4523 1 16 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.477 -0.865 19713 4524 1 16 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.570 -1.429 19713 4525 1 16 . 1 1 16 16 PHE CB C 16 38.658 38.658 38.915 -0.257 19713 4526 1 16 . 1 1 16 16 PHE H H 16 8.150 8.150 8.734 -0.584 19713 4527 1 16 . 1 1 17 17 VAL N N 17 120.622 120.622 116.318 4.304 19713 4528 1 16 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.635 -0.424 19713 4529 1 16 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.051 2.584 19713 4530 1 16 . 1 1 17 17 VAL CB C 17 31.503 31.503 30.974 0.529 19713 4531 1 16 . 1 1 17 17 VAL H H 17 8.193 8.193 8.320 -0.127 19713 4532 1 16 . 1 1 18 18 ASP N N 18 123.142 123.142 121.667 1.475 19713 4533 1 16 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.409 -0.016 19713 4534 1 16 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.498 0.051 19713 4535 1 16 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.014 -1.192 19713 4536 1 16 . 1 1 18 18 ASP H H 18 9.093 9.093 7.857 1.236 19713 4537 1 16 . 1 1 19 19 TYR N N 19 122.100 122.100 118.464 3.636 19713 4538 1 16 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.233 0.156 19713 4539 1 16 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.199 0.595 19713 4540 1 16 . 1 1 19 19 TYR CB C 19 37.987 37.987 37.869 0.118 19713 4541 1 16 . 1 1 19 19 TYR H H 19 8.142 8.142 7.987 0.155 19713 4542 1 16 . 1 1 20 20 MET N N 20 119.265 119.265 118.405 0.860 19713 4543 1 16 . 1 1 20 20 MET HA H 20 3.987 3.987 3.838 0.149 19713 4544 1 16 . 1 1 20 20 MET CA C 20 56.147 56.147 57.097 -0.950 19713 4545 1 16 . 1 1 20 20 MET CB C 20 28.818 28.818 32.271 -3.453 19713 4546 1 16 . 1 1 20 20 MET H H 20 8.421 8.421 7.336 1.085 19713 4547 1 16 . 1 1 21 21 ALA N N 21 124.076 124.076 120.692 3.384 19713 4548 1 16 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.240 -0.145 19713 4549 1 16 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.746 0.794 19713 4550 1 16 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.160 -0.844 19713 4551 1 16 . 1 1 21 21 ALA H H 21 8.107 8.107 7.632 0.475 19713 4552 1 16 . 1 1 22 22 THR N N 22 111.538 111.538 112.682 -1.144 19713 4553 1 16 . 1 1 22 22 THR HA H 22 4.236 4.236 4.152 0.084 19713 4554 1 16 . 1 1 22 22 THR CA C 22 64.631 64.631 64.416 0.215 19713 4555 1 16 . 1 1 22 22 THR CB C 22 69.311 69.311 68.830 0.481 19713 4556 1 16 . 1 1 22 22 THR H H 22 7.590 7.590 7.891 -0.301 19713 4557 1 16 . 1 1 23 23 GLN N N 23 118.055 118.055 118.614 -0.559 19713 4558 1 16 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.377 -0.016 19713 4559 1 16 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.674 -1.941 19713 4560 1 16 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.225 -0.378 19713 4561 1 16 . 1 1 23 23 GLN H H 23 7.219 7.219 7.441 -0.222 19713 4562 1 16 . 1 1 24 24 GLY N N 24 106.367 106.367 107.494 -1.127 19713 4563 1 16 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.130 0.354 19713 4564 1 16 . 1 1 24 24 GLY H H 24 7.641 7.641 7.744 -0.103 19713 4565 1 16 . 1 1 25 25 VAL N N 25 120.869 120.869 121.722 -0.853 19713 4566 1 16 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.280 -0.018 19713 4567 1 16 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.007 -0.127 19713 4568 1 16 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.658 1.172 19713 4569 1 16 . 1 1 25 25 VAL H H 25 7.664 7.664 7.855 -0.191 19713 4570 1 16 . 1 1 26 26 ILE N N 26 128.372 128.372 128.121 0.251 19713 4571 1 16 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.109 -0.186 19713 4572 1 16 . 1 1 26 26 ILE CA C 26 59.995 59.995 59.956 0.039 19713 4573 1 16 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.373 -0.437 19713 4574 1 16 . 1 1 26 26 ILE H H 26 9.003 9.003 8.461 0.542 19713 4575 1 16 . 1 1 27 27 LEU N N 27 130.068 130.068 126.104 3.964 19713 4576 1 16 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.640 0.574 19713 4577 1 16 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.689 -0.666 19713 4578 1 16 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.146 0.658 19713 4579 1 16 . 1 1 27 27 LEU H H 27 8.291 8.291 8.290 0.001 19713 4580 1 16 . 1 1 28 28 THR N N 28 111.171 111.171 115.343 -4.172 19713 4581 1 16 . 1 1 28 28 THR HA H 28 4.763 4.763 4.516 0.247 19713 4582 1 16 . 1 1 28 28 THR CA C 28 60.132 60.132 61.417 -1.285 19713 4583 1 16 . 1 1 28 28 THR CB C 28 71.760 71.760 70.635 1.125 19713 4584 1 16 . 1 1 28 28 THR H H 28 8.948 8.948 8.231 0.717 19713 4585 1 16 . 1 1 29 29 ILE N N 29 121.390 121.390 121.869 -0.479 19713 4586 1 16 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.419 0.891 19713 4587 1 16 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.164 -0.256 19713 4588 1 16 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.800 0.968 19713 4589 1 16 . 1 1 29 29 ILE H H 29 8.713 8.713 8.368 0.345 19713 4590 1 16 . 1 1 30 30 GLN N N 30 127.776 127.776 124.115 3.661 19713 4591 1 16 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.557 0.215 19713 4592 1 16 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.186 -0.557 19713 4593 1 16 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.684 1.625 19713 4594 1 16 . 1 1 30 30 GLN H H 30 9.518 9.518 8.512 1.006 19713 4595 1 16 . 1 1 31 31 GLN N N 31 125.893 125.893 122.835 3.058 19713 4596 1 16 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.442 0.821 19713 4597 1 16 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.564 -0.554 19713 4598 1 16 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.476 0.920 19713 4599 1 16 . 1 1 31 31 GLN H H 31 9.029 9.029 8.611 0.418 19713 4600 1 16 . 1 1 32 32 HIS N N 32 121.451 121.451 122.793 -1.342 19713 4601 1 16 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.622 0.344 19713 4602 1 16 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.064 -1.550 19713 4603 1 16 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.839 -0.178 19713 4604 1 16 . 1 1 32 32 HIS H H 32 8.912 8.912 8.520 0.392 19713 4605 1 16 . 1 1 33 33 ASN N N 33 121.954 121.954 117.868 4.086 19713 4606 1 16 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.865 0.335 19713 4607 1 16 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.827 0.279 19713 4608 1 16 . 1 1 33 33 ASN CB C 33 40.448 40.448 41.090 -0.642 19713 4609 1 16 . 1 1 33 33 ASN H H 33 8.940 8.940 8.776 0.164 19713 4610 1 16 . 1 1 34 34 GLN N N 34 123.175 123.175 121.192 1.983 19713 4611 1 16 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.862 -0.243 19713 4612 1 16 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.133 0.449 19713 4613 1 16 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.946 0.229 19713 4614 1 16 . 1 1 34 34 GLN H H 34 8.648 8.648 8.764 -0.116 19713 4615 1 16 . 1 1 35 35 SER N N 35 118.568 118.568 116.615 1.953 19713 4616 1 16 . 1 1 35 35 SER HA H 35 4.784 4.784 4.622 0.162 19713 4617 1 16 . 1 1 35 35 SER CA C 35 57.693 57.693 58.089 -0.396 19713 4618 1 16 . 1 1 35 35 SER CB C 35 64.218 64.218 64.065 0.153 19713 4619 1 16 . 1 1 35 35 SER H H 35 8.744 8.744 8.307 0.437 19713 4620 1 16 . 1 1 36 36 ASP N N 36 127.988 127.988 125.248 2.740 19713 4621 1 16 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.810 0.177 19713 4622 1 16 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.749 0.383 19713 4623 1 16 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.856 0.048 19713 4624 1 16 . 1 1 36 36 ASP H H 36 8.909 8.909 8.511 0.398 19713 4625 1 16 . 1 1 37 37 VAL N N 37 122.751 122.751 123.997 -1.246 19713 4626 1 16 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.397 0.580 19713 4627 1 16 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.737 0.084 19713 4628 1 16 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.845 1.254 19713 4629 1 16 . 1 1 37 37 VAL H H 37 8.691 8.691 8.482 0.209 19713 4630 1 16 . 1 1 38 38 TRP N N 38 128.913 128.913 127.420 1.493 19713 4631 1 16 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.007 0.075 19713 4632 1 16 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.457 1.316 19713 4633 1 16 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.475 2.733 19713 4634 1 16 . 1 1 38 38 TRP H H 38 9.644 9.644 7.781 1.863 19713 4635 1 16 . 1 1 39 39 LEU N N 39 122.523 122.523 121.961 0.562 19713 4636 1 16 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.677 0.174 19713 4637 1 16 . 1 1 39 39 LEU CA C 39 53.407 53.407 54.995 -1.588 19713 4638 1 16 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.534 2.364 19713 4639 1 16 . 1 1 39 39 LEU H H 39 9.378 9.378 8.344 1.034 19713 4640 1 16 . 1 1 40 40 ALA N N 40 129.759 129.759 125.678 4.081 19713 4641 1 16 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.417 0.161 19713 4642 1 16 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.705 1.587 19713 4643 1 16 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.148 -0.112 19713 4644 1 16 . 1 1 40 40 ALA H H 40 8.806 8.806 8.458 0.348 19713 4645 1 16 . 1 1 41 41 ASP N N 41 115.611 115.611 119.767 -4.156 19713 4646 1 16 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.630 0.195 19713 4647 1 16 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.389 -1.372 19713 4648 1 16 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.783 -1.166 19713 4649 1 16 . 1 1 41 41 ASP H H 41 7.774 7.774 8.380 -0.606 19713 4650 1 16 . 1 1 42 42 GLU N N 42 123.031 123.031 123.716 -0.685 19713 4651 1 16 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.872 -0.238 19713 4652 1 16 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.639 0.050 19713 4653 1 16 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.631 -0.998 19713 4654 1 16 . 1 1 42 42 GLU H H 42 8.508 8.508 8.165 0.343 19713 4655 1 16 . 1 1 43 43 SER N N 43 116.358 116.358 113.930 2.428 19713 4656 1 16 . 1 1 43 43 SER HA H 43 4.373 4.373 4.151 0.222 19713 4657 1 16 . 1 1 43 43 SER CA C 43 61.171 61.171 60.819 0.352 19713 4658 1 16 . 1 1 43 43 SER CB C 43 62.526 62.526 62.965 -0.439 19713 4659 1 16 . 1 1 43 43 SER H H 43 8.325 8.325 7.974 0.351 19713 4660 1 16 . 1 1 44 44 GLN N N 44 118.846 118.846 118.997 -0.151 19713 4661 1 16 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.312 0.350 19713 4662 1 16 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.228 -1.755 19713 4663 1 16 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.410 -0.275 19713 4664 1 16 . 1 1 44 44 GLN H H 44 7.741 7.741 7.983 -0.242 19713 4665 1 16 . 1 1 45 45 ALA N N 45 122.785 122.785 123.293 -0.508 19713 4666 1 16 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.963 -0.413 19713 4667 1 16 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.263 1.700 19713 4668 1 16 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.126 0.671 19713 4669 1 16 . 1 1 45 45 ALA H H 45 7.567 7.567 7.867 -0.300 19713 4670 1 16 . 1 1 46 46 GLU N N 46 116.794 116.794 118.113 -1.319 19713 4671 1 16 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.958 0.074 19713 4672 1 16 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.637 0.183 19713 4673 1 16 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.172 -0.484 19713 4674 1 16 . 1 1 46 46 GLU H H 46 8.686 8.686 8.000 0.686 19713 4675 1 16 . 1 1 47 47 ARG N N 47 122.101 122.101 120.592 1.509 19713 4676 1 16 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.036 0.209 19713 4677 1 16 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.198 -0.385 19713 4678 1 16 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.105 -0.039 19713 4679 1 16 . 1 1 47 47 ARG H H 47 8.042 8.042 8.036 0.006 19713 4680 1 16 . 1 1 48 48 VAL N N 48 118.395 118.395 116.856 1.539 19713 4681 1 16 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.711 -0.061 19713 4682 1 16 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.254 1.708 19713 4683 1 16 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.443 0.811 19713 4684 1 16 . 1 1 48 48 VAL H H 48 8.466 8.466 8.194 0.272 19713 4685 1 16 . 1 1 49 49 ARG N N 49 119.126 119.126 120.999 -1.873 19713 4686 1 16 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.934 -0.063 19713 4687 1 16 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.888 0.868 19713 4688 1 16 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.862 -0.303 19713 4689 1 16 . 1 1 49 49 ARG H H 49 8.604 8.604 7.998 0.606 19713 4690 1 16 . 1 1 50 50 ALA N N 50 123.287 123.287 121.945 1.342 19713 4691 1 16 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.076 0.198 19713 4692 1 16 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.228 -0.106 19713 4693 1 16 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.035 -0.027 19713 4694 1 16 . 1 1 50 50 ALA H H 50 8.081 8.081 8.044 0.037 19713 4695 1 16 . 1 1 51 51 GLU N N 51 118.576 118.576 118.543 0.033 19713 4696 1 16 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.994 0.455 19713 4697 1 16 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.642 -0.301 19713 4698 1 16 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.099 1.018 19713 4699 1 16 . 1 1 51 51 GLU H H 51 8.386 8.386 7.921 0.465 19713 4700 1 16 . 1 1 52 52 LEU N N 52 122.397 122.397 120.692 1.705 19713 4701 1 16 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.002 -0.064 19713 4702 1 16 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.418 -0.673 19713 4703 1 16 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.724 -0.481 19713 4704 1 16 . 1 1 52 52 LEU H H 52 8.976 8.976 8.402 0.574 19713 4705 1 16 . 1 1 53 53 ALA N N 53 119.025 119.025 120.759 -1.734 19713 4706 1 16 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.957 0.097 19713 4707 1 16 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.174 -0.080 19713 4708 1 16 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.144 -0.547 19713 4709 1 16 . 1 1 53 53 ALA H H 53 7.418 7.418 8.082 -0.664 19713 4710 1 16 . 1 1 54 54 ARG N N 54 116.311 116.311 117.374 -1.063 19713 4711 1 16 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.330 -0.194 19713 4712 1 16 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.238 0.448 19713 4713 1 16 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.307 0.133 19713 4714 1 16 . 1 1 54 54 ARG H H 54 7.316 7.316 7.784 -0.468 19713 4715 1 16 . 1 1 55 55 PHE N N 55 122.048 122.048 120.606 1.442 19713 4716 1 16 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.444 -0.411 19713 4717 1 16 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.860 0.926 19713 4718 1 16 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.608 0.448 19713 4719 1 16 . 1 1 55 55 PHE H H 55 8.729 8.729 7.969 0.760 19713 4720 1 16 . 1 1 56 56 LEU N N 56 116.538 116.538 121.029 -4.491 19713 4721 1 16 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.923 0.120 19713 4722 1 16 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.766 -2.049 19713 4723 1 16 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.888 0.147 19713 4724 1 16 . 1 1 56 56 LEU H H 56 8.133 8.133 8.754 -0.621 19713 4725 1 16 . 1 1 57 57 GLU N N 57 118.454 118.454 116.691 1.763 19713 4726 1 16 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.167 -0.063 19713 4727 1 16 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.786 0.768 19713 4728 1 16 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.736 0.289 19713 4729 1 16 . 1 1 57 57 GLU H H 57 7.479 7.479 7.951 -0.472 19713 4730 1 16 . 1 1 58 58 ASN N N 58 116.134 116.134 119.798 -3.664 19713 4731 1 16 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.999 -0.093 19713 4732 1 16 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.086 1.078 19713 4733 1 16 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.280 0.531 19713 4734 1 16 . 1 1 58 58 ASN H H 58 7.722 7.722 7.800 -0.078 19713 4735 1 16 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.314 -0.224 19713 4736 1 16 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.249 0.634 19713 4737 1 16 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.566 1.290 19713 4738 1 16 . 1 1 60 60 ALA N N 60 123.290 123.290 127.447 -4.157 19713 4739 1 16 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.336 -0.140 19713 4740 1 16 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.797 0.080 19713 4741 1 16 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.361 -1.463 19713 4742 1 16 . 1 1 60 60 ALA H H 60 7.995 7.995 7.882 0.113 19713 4743 1 16 . 1 1 61 61 ASP N N 61 118.409 118.409 119.400 -0.991 19713 4744 1 16 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.516 0.059 19713 4745 1 16 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.502 -2.228 19713 4746 1 16 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.394 -0.507 19713 4747 1 16 . 1 1 61 61 ASP H H 61 7.985 7.985 8.292 -0.307 19713 4748 1 16 . 1 1 62 62 LEU N N 62 121.754 121.754 118.303 3.451 19713 4749 1 16 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.213 -0.043 19713 4750 1 16 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.228 -1.555 19713 4751 1 16 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.390 0.602 19713 4752 1 16 . 1 1 62 62 LEU H H 62 7.921 7.921 8.316 -0.395 19713 4753 1 17 . 1 1 2 2 LEU N N 2 123.873 123.873 125.194 -1.321 19713 4754 1 17 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.784 0.056 19713 4755 1 17 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.759 -1.060 19713 4756 1 17 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.555 2.988 19713 4757 1 17 . 1 1 2 2 LEU H H 2 8.977 8.977 8.398 0.579 19713 4758 1 17 . 1 1 3 3 MET N N 3 128.873 128.873 123.927 4.946 19713 4759 1 17 . 1 1 3 3 MET HA H 3 3.402 3.402 4.394 -0.992 19713 4760 1 17 . 1 1 3 3 MET CA C 3 55.648 55.648 55.942 -0.294 19713 4761 1 17 . 1 1 3 3 MET CB C 3 31.068 31.068 32.652 -1.584 19713 4762 1 17 . 1 1 3 3 MET H H 3 8.669 8.669 8.468 0.201 19713 4763 1 17 . 1 1 4 4 ILE N N 4 127.600 127.600 123.336 4.264 19713 4764 1 17 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.068 -0.145 19713 4765 1 17 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.102 -2.438 19713 4766 1 17 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.868 0.006 19713 4767 1 17 . 1 1 4 4 ILE H H 4 8.843 8.843 8.520 0.323 19713 4768 1 17 . 1 1 5 5 THR N N 5 109.859 109.859 110.606 -0.747 19713 4769 1 17 . 1 1 5 5 THR HA H 5 4.232 4.232 4.288 -0.056 19713 4770 1 17 . 1 1 5 5 THR CA C 5 60.044 60.044 61.438 -1.394 19713 4771 1 17 . 1 1 5 5 THR CB C 5 98.915 98.915 69.011 29.904 19713 4772 1 17 . 1 1 5 5 THR H H 5 7.255 7.255 7.683 -0.428 19713 4773 1 17 . 1 1 6 6 SER N N 6 116.037 116.037 116.839 -0.802 19713 4774 1 17 . 1 1 6 6 SER HA H 6 5.353 5.353 4.754 0.599 19713 4775 1 17 . 1 1 6 6 SER CA C 6 56.774 56.774 57.892 -1.118 19713 4776 1 17 . 1 1 6 6 SER CB C 6 64.813 64.813 64.201 0.612 19713 4777 1 17 . 1 1 6 6 SER H H 6 7.717 7.717 8.080 -0.363 19713 4778 1 17 . 1 1 7 7 PHE N N 7 121.810 121.810 123.697 -1.887 19713 4779 1 17 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.618 0.293 19713 4780 1 17 . 1 1 7 7 PHE CA C 7 56.763 56.763 57.457 -0.694 19713 4781 1 17 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.992 2.431 19713 4782 1 17 . 1 1 7 7 PHE H H 7 8.928 8.928 8.331 0.597 19713 4783 1 17 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.538 0.057 19713 4784 1 17 . 1 1 8 8 ALA CA C 8 53.578 53.578 52.003 1.575 19713 4785 1 17 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.153 -0.103 19713 4786 1 17 . 1 1 9 9 ASN N N 9 116.543 116.543 117.526 -0.983 19713 4787 1 17 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.974 0.276 19713 4788 1 17 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.026 -2.354 19713 4789 1 17 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.530 -0.772 19713 4790 1 17 . 1 1 9 9 ASN H H 9 8.133 8.133 8.078 0.055 19713 4791 1 17 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.482 -0.144 19713 4792 1 17 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.028 -0.450 19713 4793 1 17 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.217 0.138 19713 4794 1 17 . 1 1 11 11 ARG N N 11 118.730 118.730 119.422 -0.692 19713 4795 1 17 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.026 0.128 19713 4796 1 17 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.708 -0.857 19713 4797 1 17 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.130 0.473 19713 4798 1 17 . 1 1 11 11 ARG H H 11 8.091 8.091 8.589 -0.498 19713 4799 1 17 . 1 1 12 12 VAL N N 12 122.396 122.396 119.219 3.177 19713 4800 1 17 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.686 -0.051 19713 4801 1 17 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.151 0.381 19713 4802 1 17 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.967 0.795 19713 4803 1 17 . 1 1 12 12 VAL H H 12 7.235 7.235 7.793 -0.558 19713 4804 1 17 . 1 1 13 13 ALA N N 13 119.674 119.674 122.203 -2.529 19713 4805 1 17 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.719 -0.595 19713 4806 1 17 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.681 -0.966 19713 4807 1 17 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.012 0.745 19713 4808 1 17 . 1 1 13 13 ALA H H 13 6.857 6.857 7.716 -0.859 19713 4809 1 17 . 1 1 14 14 GLN N N 14 115.202 115.202 119.152 -3.950 19713 4810 1 17 . 1 1 14 14 GLN HA H 14 3.683 3.683 3.988 -0.305 19713 4811 1 17 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.286 -0.498 19713 4812 1 17 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.188 0.219 19713 4813 1 17 . 1 1 14 14 GLN H H 14 7.800 7.800 8.280 -0.480 19713 4814 1 17 . 1 1 15 15 ALA N N 15 121.416 121.416 122.382 -0.966 19713 4815 1 17 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.962 0.335 19713 4816 1 17 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.085 -0.095 19713 4817 1 17 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.111 -0.376 19713 4818 1 17 . 1 1 15 15 ALA H H 15 7.882 7.882 7.827 0.055 19713 4819 1 17 . 1 1 16 16 PHE N N 16 120.765 120.765 118.115 2.650 19713 4820 1 17 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.393 -0.781 19713 4821 1 17 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.734 -1.593 19713 4822 1 17 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.014 -0.356 19713 4823 1 17 . 1 1 16 16 PHE H H 16 8.150 8.150 8.620 -0.470 19713 4824 1 17 . 1 1 17 17 VAL N N 17 120.622 120.622 118.026 2.596 19713 4825 1 17 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.538 -0.327 19713 4826 1 17 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.154 1.481 19713 4827 1 17 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.425 0.078 19713 4828 1 17 . 1 1 17 17 VAL H H 17 8.193 8.193 8.180 0.013 19713 4829 1 17 . 1 1 18 18 ASP N N 18 123.142 123.142 122.120 1.022 19713 4830 1 17 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.372 0.021 19713 4831 1 17 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.224 0.325 19713 4832 1 17 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.764 -0.942 19713 4833 1 17 . 1 1 18 18 ASP H H 18 9.093 9.093 8.183 0.910 19713 4834 1 17 . 1 1 19 19 TYR N N 19 122.100 122.100 118.895 3.205 19713 4835 1 17 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.330 0.059 19713 4836 1 17 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.368 0.426 19713 4837 1 17 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.124 -0.137 19713 4838 1 17 . 1 1 19 19 TYR H H 19 8.142 8.142 8.098 0.044 19713 4839 1 17 . 1 1 20 20 MET N N 20 119.265 119.265 117.179 2.086 19713 4840 1 17 . 1 1 20 20 MET HA H 20 3.987 3.987 3.611 0.376 19713 4841 1 17 . 1 1 20 20 MET CA C 20 56.147 56.147 56.824 -0.677 19713 4842 1 17 . 1 1 20 20 MET CB C 20 28.818 28.818 31.877 -3.059 19713 4843 1 17 . 1 1 20 20 MET H H 20 8.421 8.421 7.528 0.893 19713 4844 1 17 . 1 1 21 21 ALA N N 21 124.076 124.076 121.947 2.129 19713 4845 1 17 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.206 -0.111 19713 4846 1 17 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.855 0.685 19713 4847 1 17 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.305 -0.989 19713 4848 1 17 . 1 1 21 21 ALA H H 21 8.107 8.107 7.916 0.191 19713 4849 1 17 . 1 1 22 22 THR N N 22 111.538 111.538 111.923 -0.385 19713 4850 1 17 . 1 1 22 22 THR HA H 22 4.236 4.236 4.091 0.145 19713 4851 1 17 . 1 1 22 22 THR CA C 22 64.631 64.631 64.644 -0.013 19713 4852 1 17 . 1 1 22 22 THR CB C 22 69.311 69.311 68.521 0.790 19713 4853 1 17 . 1 1 22 22 THR H H 22 7.590 7.590 7.777 -0.187 19713 4854 1 17 . 1 1 23 23 GLN N N 23 118.055 118.055 118.163 -0.108 19713 4855 1 17 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.363 -0.002 19713 4856 1 17 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.908 -2.175 19713 4857 1 17 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.154 -0.307 19713 4858 1 17 . 1 1 23 23 GLN H H 23 7.219 7.219 7.850 -0.631 19713 4859 1 17 . 1 1 24 24 GLY N N 24 106.367 106.367 107.513 -1.146 19713 4860 1 17 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.013 0.471 19713 4861 1 17 . 1 1 24 24 GLY H H 24 7.641 7.641 7.748 -0.107 19713 4862 1 17 . 1 1 25 25 VAL N N 25 120.869 120.869 120.885 -0.016 19713 4863 1 17 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.315 -0.053 19713 4864 1 17 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.116 -0.236 19713 4865 1 17 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.093 0.737 19713 4866 1 17 . 1 1 25 25 VAL H H 25 7.664 7.664 8.171 -0.507 19713 4867 1 17 . 1 1 26 26 ILE N N 26 128.372 128.372 127.292 1.080 19713 4868 1 17 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.115 -0.192 19713 4869 1 17 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.173 -0.178 19713 4870 1 17 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.309 -0.373 19713 4871 1 17 . 1 1 26 26 ILE H H 26 9.003 9.003 8.457 0.546 19713 4872 1 17 . 1 1 27 27 LEU N N 27 130.068 130.068 127.136 2.932 19713 4873 1 17 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.701 0.513 19713 4874 1 17 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.411 -0.388 19713 4875 1 17 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.394 0.410 19713 4876 1 17 . 1 1 27 27 LEU H H 27 8.291 8.291 8.359 -0.068 19713 4877 1 17 . 1 1 28 28 THR N N 28 111.171 111.171 115.406 -4.235 19713 4878 1 17 . 1 1 28 28 THR HA H 28 4.763 4.763 4.550 0.213 19713 4879 1 17 . 1 1 28 28 THR CA C 28 60.132 60.132 61.392 -1.260 19713 4880 1 17 . 1 1 28 28 THR CB C 28 71.760 71.760 70.582 1.178 19713 4881 1 17 . 1 1 28 28 THR H H 28 8.948 8.948 8.227 0.721 19713 4882 1 17 . 1 1 29 29 ILE N N 29 121.390 121.390 121.627 -0.237 19713 4883 1 17 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.424 0.886 19713 4884 1 17 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.307 -0.399 19713 4885 1 17 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.783 0.985 19713 4886 1 17 . 1 1 29 29 ILE H H 29 8.713 8.713 8.373 0.340 19713 4887 1 17 . 1 1 30 30 GLN N N 30 127.776 127.776 123.966 3.810 19713 4888 1 17 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.571 0.201 19713 4889 1 17 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.270 -0.641 19713 4890 1 17 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.736 1.573 19713 4891 1 17 . 1 1 30 30 GLN H H 30 9.518 9.518 8.534 0.984 19713 4892 1 17 . 1 1 31 31 GLN N N 31 125.893 125.893 123.602 2.291 19713 4893 1 17 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.508 0.755 19713 4894 1 17 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.584 -0.574 19713 4895 1 17 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.020 1.376 19713 4896 1 17 . 1 1 31 31 GLN H H 31 9.029 9.029 8.697 0.332 19713 4897 1 17 . 1 1 32 32 HIS N N 32 121.451 121.451 123.963 -2.512 19713 4898 1 17 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.341 0.625 19713 4899 1 17 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.618 -2.104 19713 4900 1 17 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.701 -0.041 19713 4901 1 17 . 1 1 32 32 HIS H H 32 8.912 8.912 8.683 0.229 19713 4902 1 17 . 1 1 33 33 ASN N N 33 121.954 121.954 119.386 2.568 19713 4903 1 17 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.807 0.393 19713 4904 1 17 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.914 0.192 19713 4905 1 17 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.810 -0.362 19713 4906 1 17 . 1 1 33 33 ASN H H 33 8.940 8.940 8.822 0.118 19713 4907 1 17 . 1 1 34 34 GLN N N 34 123.175 123.175 122.328 0.847 19713 4908 1 17 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.632 -0.013 19713 4909 1 17 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.470 0.112 19713 4910 1 17 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.041 1.134 19713 4911 1 17 . 1 1 34 34 GLN H H 34 8.648 8.648 8.565 0.083 19713 4912 1 17 . 1 1 35 35 SER N N 35 118.568 118.568 121.100 -2.532 19713 4913 1 17 . 1 1 35 35 SER HA H 35 4.784 4.784 4.667 0.117 19713 4914 1 17 . 1 1 35 35 SER CA C 35 57.693 57.693 58.038 -0.345 19713 4915 1 17 . 1 1 35 35 SER CB C 35 64.218 64.218 63.382 0.836 19713 4916 1 17 . 1 1 35 35 SER H H 35 8.744 8.744 8.617 0.127 19713 4917 1 17 . 1 1 36 36 ASP N N 36 127.988 127.988 126.870 1.118 19713 4918 1 17 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.855 0.132 19713 4919 1 17 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.994 0.138 19713 4920 1 17 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.938 -0.034 19713 4921 1 17 . 1 1 36 36 ASP H H 36 8.909 8.909 8.622 0.287 19713 4922 1 17 . 1 1 37 37 VAL N N 37 122.751 122.751 123.058 -0.307 19713 4923 1 17 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.415 0.562 19713 4924 1 17 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.464 0.357 19713 4925 1 17 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.086 1.013 19713 4926 1 17 . 1 1 37 37 VAL H H 37 8.691 8.691 8.494 0.197 19713 4927 1 17 . 1 1 38 38 TRP N N 38 128.913 128.913 127.860 1.053 19713 4928 1 17 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.063 0.019 19713 4929 1 17 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.688 1.085 19713 4930 1 17 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.559 2.649 19713 4931 1 17 . 1 1 38 38 TRP H H 38 9.644 9.644 7.799 1.845 19713 4932 1 17 . 1 1 39 39 LEU N N 39 122.523 122.523 121.507 1.016 19713 4933 1 17 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.668 0.183 19713 4934 1 17 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.118 -1.711 19713 4935 1 17 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.600 2.298 19713 4936 1 17 . 1 1 39 39 LEU H H 39 9.378 9.378 8.350 1.028 19713 4937 1 17 . 1 1 40 40 ALA N N 40 129.759 129.759 125.621 4.138 19713 4938 1 17 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.431 0.147 19713 4939 1 17 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.639 1.652 19713 4940 1 17 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.187 -0.151 19713 4941 1 17 . 1 1 40 40 ALA H H 40 8.806 8.806 8.446 0.360 19713 4942 1 17 . 1 1 41 41 ASP N N 41 115.611 115.611 119.464 -3.853 19713 4943 1 17 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.642 0.183 19713 4944 1 17 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.451 -1.434 19713 4945 1 17 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.771 -1.154 19713 4946 1 17 . 1 1 41 41 ASP H H 41 7.774 7.774 8.383 -0.609 19713 4947 1 17 . 1 1 42 42 GLU N N 42 123.031 123.031 124.939 -1.908 19713 4948 1 17 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.943 -0.309 19713 4949 1 17 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.650 0.039 19713 4950 1 17 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.654 -1.021 19713 4951 1 17 . 1 1 42 42 GLU H H 42 8.508 8.508 8.361 0.147 19713 4952 1 17 . 1 1 43 43 SER N N 43 116.358 116.358 115.562 0.796 19713 4953 1 17 . 1 1 43 43 SER HA H 43 4.373 4.373 4.131 0.242 19713 4954 1 17 . 1 1 43 43 SER CA C 43 61.171 61.171 60.992 0.179 19713 4955 1 17 . 1 1 43 43 SER CB C 43 62.526 62.526 62.858 -0.331 19713 4956 1 17 . 1 1 43 43 SER H H 43 8.325 8.325 8.046 0.279 19713 4957 1 17 . 1 1 44 44 GLN N N 44 118.846 118.846 118.858 -0.012 19713 4958 1 17 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.316 0.346 19713 4959 1 17 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.114 -1.641 19713 4960 1 17 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.226 -0.091 19713 4961 1 17 . 1 1 44 44 GLN H H 44 7.741 7.741 7.976 -0.235 19713 4962 1 17 . 1 1 45 45 ALA N N 45 122.785 122.785 122.513 0.272 19713 4963 1 17 . 1 1 45 45 ALA HA H 45 3.550 3.550 4.021 -0.471 19713 4964 1 17 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.202 1.761 19713 4965 1 17 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.342 0.455 19713 4966 1 17 . 1 1 45 45 ALA H H 45 7.567 7.567 7.878 -0.311 19713 4967 1 17 . 1 1 46 46 GLU N N 46 116.794 116.794 117.946 -1.152 19713 4968 1 17 . 1 1 46 46 GLU HA H 46 4.032 4.032 4.052 -0.020 19713 4969 1 17 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.312 0.508 19713 4970 1 17 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.523 -0.835 19713 4971 1 17 . 1 1 46 46 GLU H H 46 8.686 8.686 8.003 0.683 19713 4972 1 17 . 1 1 47 47 ARG N N 47 122.101 122.101 120.384 1.717 19713 4973 1 17 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.066 0.179 19713 4974 1 17 . 1 1 47 47 ARG CA C 47 58.813 58.813 58.924 -0.111 19713 4975 1 17 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.490 0.576 19713 4976 1 17 . 1 1 47 47 ARG H H 47 8.042 8.042 8.175 -0.133 19713 4977 1 17 . 1 1 48 48 VAL N N 48 118.395 118.395 117.065 1.330 19713 4978 1 17 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.821 -0.171 19713 4979 1 17 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.026 0.936 19713 4980 1 17 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.455 -0.201 19713 4981 1 17 . 1 1 48 48 VAL H H 48 8.466 8.466 8.361 0.105 19713 4982 1 17 . 1 1 49 49 ARG N N 49 119.126 119.126 120.726 -1.600 19713 4983 1 17 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.940 -0.069 19713 4984 1 17 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.861 0.895 19713 4985 1 17 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.934 -0.375 19713 4986 1 17 . 1 1 49 49 ARG H H 49 8.604 8.604 7.693 0.911 19713 4987 1 17 . 1 1 50 50 ALA N N 50 123.287 123.287 121.941 1.346 19713 4988 1 17 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.156 0.118 19713 4989 1 17 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.159 -0.037 19713 4990 1 17 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.115 -0.107 19713 4991 1 17 . 1 1 50 50 ALA H H 50 8.081 8.081 8.085 -0.004 19713 4992 1 17 . 1 1 51 51 GLU N N 51 118.576 118.576 118.801 -0.225 19713 4993 1 17 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.016 0.433 19713 4994 1 17 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.753 -0.412 19713 4995 1 17 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.233 0.885 19713 4996 1 17 . 1 1 51 51 GLU H H 51 8.386 8.386 7.774 0.612 19713 4997 1 17 . 1 1 52 52 LEU N N 52 122.397 122.397 120.557 1.840 19713 4998 1 17 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.084 -0.146 19713 4999 1 17 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.452 -0.707 19713 5000 1 17 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.761 -0.518 19713 5001 1 17 . 1 1 52 52 LEU H H 52 8.976 8.976 8.508 0.468 19713 5002 1 17 . 1 1 53 53 ALA N N 53 119.025 119.025 120.854 -1.829 19713 5003 1 17 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.992 0.062 19713 5004 1 17 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.115 -0.021 19713 5005 1 17 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.148 -0.551 19713 5006 1 17 . 1 1 53 53 ALA H H 53 7.418 7.418 7.964 -0.546 19713 5007 1 17 . 1 1 54 54 ARG N N 54 116.311 116.311 117.328 -1.017 19713 5008 1 17 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.520 -0.384 19713 5009 1 17 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.091 0.595 19713 5010 1 17 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.460 -0.020 19713 5011 1 17 . 1 1 54 54 ARG H H 54 7.316 7.316 7.787 -0.471 19713 5012 1 17 . 1 1 55 55 PHE N N 55 122.048 122.048 121.123 0.925 19713 5013 1 17 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.370 -0.337 19713 5014 1 17 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.911 0.875 19713 5015 1 17 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.598 0.458 19713 5016 1 17 . 1 1 55 55 PHE H H 55 8.729 8.729 8.001 0.728 19713 5017 1 17 . 1 1 56 56 LEU N N 56 116.538 116.538 120.805 -4.267 19713 5018 1 17 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.924 0.119 19713 5019 1 17 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.848 -2.131 19713 5020 1 17 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.928 0.107 19713 5021 1 17 . 1 1 56 56 LEU H H 56 8.133 8.133 8.809 -0.676 19713 5022 1 17 . 1 1 57 57 GLU N N 57 118.454 118.454 116.871 1.583 19713 5023 1 17 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.159 -0.055 19713 5024 1 17 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.843 0.711 19713 5025 1 17 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.692 0.334 19713 5026 1 17 . 1 1 57 57 GLU H H 57 7.479 7.479 8.020 -0.541 19713 5027 1 17 . 1 1 58 58 ASN N N 58 116.134 116.134 119.781 -3.647 19713 5028 1 17 . 1 1 58 58 ASN HA H 58 4.906 4.906 4.982 -0.076 19713 5029 1 17 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.391 0.773 19713 5030 1 17 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.776 0.035 19713 5031 1 17 . 1 1 58 58 ASN H H 58 7.722 7.722 7.768 -0.046 19713 5032 1 17 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.301 -0.211 19713 5033 1 17 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.246 0.637 19713 5034 1 17 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.908 0.948 19713 5035 1 17 . 1 1 60 60 ALA N N 60 123.290 123.290 127.751 -4.461 19713 5036 1 17 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.320 -0.124 19713 5037 1 17 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.967 -0.090 19713 5038 1 17 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.175 -1.277 19713 5039 1 17 . 1 1 60 60 ALA H H 60 7.995 7.995 7.879 0.116 19713 5040 1 17 . 1 1 61 61 ASP N N 61 118.409 118.409 119.088 -0.679 19713 5041 1 17 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.534 0.041 19713 5042 1 17 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.353 -2.079 19713 5043 1 17 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.706 -0.819 19713 5044 1 17 . 1 1 61 61 ASP H H 61 7.985 7.985 8.258 -0.273 19713 5045 1 17 . 1 1 62 62 LEU N N 62 121.754 121.754 118.119 3.635 19713 5046 1 17 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.183 -0.013 19713 5047 1 17 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.170 -1.498 19713 5048 1 17 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.245 0.747 19713 5049 1 17 . 1 1 62 62 LEU H H 62 7.921 7.921 8.241 -0.320 19713 5050 1 18 . 1 1 2 2 LEU N N 2 123.873 123.873 125.341 -1.468 19713 5051 1 18 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.729 0.111 19713 5052 1 18 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.667 -0.968 19713 5053 1 18 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.211 3.332 19713 5054 1 18 . 1 1 2 2 LEU H H 2 8.977 8.977 8.296 0.681 19713 5055 1 18 . 1 1 3 3 MET N N 3 128.873 128.873 124.711 4.162 19713 5056 1 18 . 1 1 3 3 MET HA H 3 3.402 3.402 4.440 -1.038 19713 5057 1 18 . 1 1 3 3 MET CA C 3 55.648 55.648 56.001 -0.353 19713 5058 1 18 . 1 1 3 3 MET CB C 3 31.068 31.068 32.961 -1.893 19713 5059 1 18 . 1 1 3 3 MET H H 3 8.669 8.669 8.504 0.165 19713 5060 1 18 . 1 1 4 4 ILE N N 4 127.600 127.600 123.450 4.150 19713 5061 1 18 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.097 -0.174 19713 5062 1 18 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.004 -2.340 19713 5063 1 18 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.873 0.001 19713 5064 1 18 . 1 1 4 4 ILE H H 4 8.843 8.843 8.502 0.341 19713 5065 1 18 . 1 1 5 5 THR N N 5 109.859 109.859 111.122 -1.263 19713 5066 1 18 . 1 1 5 5 THR HA H 5 4.232 4.232 4.235 -0.003 19713 5067 1 18 . 1 1 5 5 THR CA C 5 60.044 60.044 61.565 -1.521 19713 5068 1 18 . 1 1 5 5 THR CB C 5 98.915 98.915 69.191 29.724 19713 5069 1 18 . 1 1 5 5 THR H H 5 7.255 7.255 7.487 -0.232 19713 5070 1 18 . 1 1 6 6 SER N N 6 116.037 116.037 116.252 -0.215 19713 5071 1 18 . 1 1 6 6 SER HA H 6 5.353 5.353 4.654 0.699 19713 5072 1 18 . 1 1 6 6 SER CA C 6 56.774 56.774 57.469 -0.695 19713 5073 1 18 . 1 1 6 6 SER CB C 6 64.813 64.813 64.283 0.530 19713 5074 1 18 . 1 1 6 6 SER H H 6 7.717 7.717 7.967 -0.250 19713 5075 1 18 . 1 1 7 7 PHE N N 7 121.810 121.810 123.486 -1.676 19713 5076 1 18 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.653 0.258 19713 5077 1 18 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.521 0.242 19713 5078 1 18 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.414 3.009 19713 5079 1 18 . 1 1 7 7 PHE H H 7 8.928 8.928 8.291 0.637 19713 5080 1 18 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.506 0.089 19713 5081 1 18 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.964 1.614 19713 5082 1 18 . 1 1 8 8 ALA CB C 8 19.050 19.050 18.969 0.081 19713 5083 1 18 . 1 1 9 9 ASN N N 9 116.543 116.543 117.361 -0.818 19713 5084 1 18 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.947 0.303 19713 5085 1 18 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.033 -2.361 19713 5086 1 18 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.449 -0.691 19713 5087 1 18 . 1 1 9 9 ASN H H 9 8.133 8.133 7.984 0.149 19713 5088 1 18 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.477 -0.139 19713 5089 1 18 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.050 -0.472 19713 5090 1 18 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.218 0.137 19713 5091 1 18 . 1 1 11 11 ARG N N 11 118.730 118.730 119.227 -0.497 19713 5092 1 18 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.047 0.107 19713 5093 1 18 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.745 -0.894 19713 5094 1 18 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.073 0.530 19713 5095 1 18 . 1 1 11 11 ARG H H 11 8.091 8.091 8.725 -0.634 19713 5096 1 18 . 1 1 12 12 VAL N N 12 122.396 122.396 119.124 3.272 19713 5097 1 18 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.722 -0.087 19713 5098 1 18 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.552 -0.020 19713 5099 1 18 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.781 0.981 19713 5100 1 18 . 1 1 12 12 VAL H H 12 7.235 7.235 7.901 -0.666 19713 5101 1 18 . 1 1 13 13 ALA N N 13 119.674 119.674 122.784 -3.110 19713 5102 1 18 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.061 -0.937 19713 5103 1 18 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.736 -1.021 19713 5104 1 18 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.159 0.598 19713 5105 1 18 . 1 1 13 13 ALA H H 13 6.857 6.857 7.726 -0.869 19713 5106 1 18 . 1 1 14 14 GLN N N 14 115.202 115.202 119.340 -4.138 19713 5107 1 18 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.007 -0.324 19713 5108 1 18 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.328 -0.540 19713 5109 1 18 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.221 0.186 19713 5110 1 18 . 1 1 14 14 GLN H H 14 7.800 7.800 8.181 -0.381 19713 5111 1 18 . 1 1 15 15 ALA N N 15 121.416 121.416 122.381 -0.965 19713 5112 1 18 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.995 0.302 19713 5113 1 18 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.065 -0.075 19713 5114 1 18 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.913 -0.177 19713 5115 1 18 . 1 1 15 15 ALA H H 15 7.882 7.882 8.023 -0.141 19713 5116 1 18 . 1 1 16 16 PHE N N 16 120.765 120.765 118.205 2.560 19713 5117 1 18 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.411 -0.799 19713 5118 1 18 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.781 -1.640 19713 5119 1 18 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.093 -0.435 19713 5120 1 18 . 1 1 16 16 PHE H H 16 8.150 8.150 8.594 -0.444 19713 5121 1 18 . 1 1 17 17 VAL N N 17 120.622 120.622 117.717 2.905 19713 5122 1 18 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.594 -0.383 19713 5123 1 18 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.607 1.028 19713 5124 1 18 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.047 0.456 19713 5125 1 18 . 1 1 17 17 VAL H H 17 8.193 8.193 8.278 -0.085 19713 5126 1 18 . 1 1 18 18 ASP N N 18 123.142 123.142 122.204 0.938 19713 5127 1 18 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.399 -0.006 19713 5128 1 18 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.602 -0.053 19713 5129 1 18 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.928 -1.106 19713 5130 1 18 . 1 1 18 18 ASP H H 18 9.093 9.093 8.195 0.898 19713 5131 1 18 . 1 1 19 19 TYR N N 19 122.100 122.100 118.841 3.259 19713 5132 1 18 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.354 0.035 19713 5133 1 18 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.331 0.463 19713 5134 1 18 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.081 -0.094 19713 5135 1 18 . 1 1 19 19 TYR H H 19 8.142 8.142 8.026 0.116 19713 5136 1 18 . 1 1 20 20 MET N N 20 119.265 119.265 116.604 2.661 19713 5137 1 18 . 1 1 20 20 MET HA H 20 3.987 3.987 3.733 0.254 19713 5138 1 18 . 1 1 20 20 MET CA C 20 56.147 56.147 56.962 -0.814 19713 5139 1 18 . 1 1 20 20 MET CB C 20 28.818 28.818 32.077 -3.259 19713 5140 1 18 . 1 1 20 20 MET H H 20 8.421 8.421 7.432 0.989 19713 5141 1 18 . 1 1 21 21 ALA N N 21 124.076 124.076 122.328 1.748 19713 5142 1 18 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.223 -0.128 19713 5143 1 18 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.988 0.552 19713 5144 1 18 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.246 -0.930 19713 5145 1 18 . 1 1 21 21 ALA H H 21 8.107 8.107 7.971 0.136 19713 5146 1 18 . 1 1 22 22 THR N N 22 111.538 111.538 112.730 -1.192 19713 5147 1 18 . 1 1 22 22 THR HA H 22 4.236 4.236 4.146 0.090 19713 5148 1 18 . 1 1 22 22 THR CA C 22 64.631 64.631 64.781 -0.150 19713 5149 1 18 . 1 1 22 22 THR CB C 22 69.311 69.311 68.612 0.699 19713 5150 1 18 . 1 1 22 22 THR H H 22 7.590 7.590 7.836 -0.246 19713 5151 1 18 . 1 1 23 23 GLN N N 23 118.055 118.055 118.113 -0.058 19713 5152 1 18 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.391 -0.030 19713 5153 1 18 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.613 -1.880 19713 5154 1 18 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.292 -0.445 19713 5155 1 18 . 1 1 23 23 GLN H H 23 7.219 7.219 7.386 -0.167 19713 5156 1 18 . 1 1 24 24 GLY N N 24 106.367 106.367 107.389 -1.022 19713 5157 1 18 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.069 0.415 19713 5158 1 18 . 1 1 24 24 GLY H H 24 7.641 7.641 7.910 -0.269 19713 5159 1 18 . 1 1 25 25 VAL N N 25 120.869 120.869 121.417 -0.548 19713 5160 1 18 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.329 -0.067 19713 5161 1 18 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.028 -0.148 19713 5162 1 18 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.664 1.166 19713 5163 1 18 . 1 1 25 25 VAL H H 25 7.664 7.664 8.049 -0.385 19713 5164 1 18 . 1 1 26 26 ILE N N 26 128.372 128.372 127.790 0.582 19713 5165 1 18 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.084 -0.161 19713 5166 1 18 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.224 -0.229 19713 5167 1 18 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.110 -0.174 19713 5168 1 18 . 1 1 26 26 ILE H H 26 9.003 9.003 8.429 0.574 19713 5169 1 18 . 1 1 27 27 LEU N N 27 130.068 130.068 126.472 3.596 19713 5170 1 18 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.682 0.532 19713 5171 1 18 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.206 -0.183 19713 5172 1 18 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.189 0.615 19713 5173 1 18 . 1 1 27 27 LEU H H 27 8.291 8.291 8.364 -0.073 19713 5174 1 18 . 1 1 28 28 THR N N 28 111.171 111.171 115.251 -4.080 19713 5175 1 18 . 1 1 28 28 THR HA H 28 4.763 4.763 4.529 0.234 19713 5176 1 18 . 1 1 28 28 THR CA C 28 60.132 60.132 61.316 -1.185 19713 5177 1 18 . 1 1 28 28 THR CB C 28 71.760 71.760 70.781 0.979 19713 5178 1 18 . 1 1 28 28 THR H H 28 8.948 8.948 8.220 0.728 19713 5179 1 18 . 1 1 29 29 ILE N N 29 121.390 121.390 121.581 -0.191 19713 5180 1 18 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.426 0.884 19713 5181 1 18 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.285 -0.377 19713 5182 1 18 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.561 1.207 19713 5183 1 18 . 1 1 29 29 ILE H H 29 8.713 8.713 8.411 0.302 19713 5184 1 18 . 1 1 30 30 GLN N N 30 127.776 127.776 124.417 3.359 19713 5185 1 18 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.558 0.214 19713 5186 1 18 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.221 -0.592 19713 5187 1 18 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.605 1.704 19713 5188 1 18 . 1 1 30 30 GLN H H 30 9.518 9.518 8.486 1.032 19713 5189 1 18 . 1 1 31 31 GLN N N 31 125.893 125.893 123.482 2.411 19713 5190 1 18 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.513 0.750 19713 5191 1 18 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.500 -0.490 19713 5192 1 18 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.297 1.099 19713 5193 1 18 . 1 1 31 31 GLN H H 31 9.029 9.029 8.649 0.380 19713 5194 1 18 . 1 1 32 32 HIS N N 32 121.451 121.451 124.545 -3.094 19713 5195 1 18 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.547 0.419 19713 5196 1 18 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.193 -1.679 19713 5197 1 18 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.671 -0.010 19713 5198 1 18 . 1 1 32 32 HIS H H 32 8.912 8.912 8.558 0.354 19713 5199 1 18 . 1 1 33 33 ASN N N 33 121.954 121.954 118.856 3.098 19713 5200 1 18 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.783 0.417 19713 5201 1 18 . 1 1 33 33 ASN CA C 33 53.106 53.106 53.108 -0.002 19713 5202 1 18 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.155 0.293 19713 5203 1 18 . 1 1 33 33 ASN H H 33 8.940 8.940 8.574 0.366 19713 5204 1 18 . 1 1 34 34 GLN N N 34 123.175 123.175 123.123 0.052 19713 5205 1 18 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.600 0.019 19713 5206 1 18 . 1 1 34 34 GLN CA C 34 55.582 55.582 56.048 -0.466 19713 5207 1 18 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.121 1.054 19713 5208 1 18 . 1 1 34 34 GLN H H 34 8.648 8.648 8.474 0.174 19713 5209 1 18 . 1 1 35 35 SER N N 35 118.568 118.568 121.266 -2.698 19713 5210 1 18 . 1 1 35 35 SER HA H 35 4.784 4.784 4.601 0.183 19713 5211 1 18 . 1 1 35 35 SER CA C 35 57.693 57.693 58.176 -0.483 19713 5212 1 18 . 1 1 35 35 SER CB C 35 64.218 64.218 63.802 0.416 19713 5213 1 18 . 1 1 35 35 SER H H 35 8.744 8.744 8.557 0.187 19713 5214 1 18 . 1 1 36 36 ASP N N 36 127.988 127.988 127.101 0.887 19713 5215 1 18 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.888 0.099 19713 5216 1 18 . 1 1 36 36 ASP CA C 36 54.132 54.132 54.075 0.057 19713 5217 1 18 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.851 0.053 19713 5218 1 18 . 1 1 36 36 ASP H H 36 8.909 8.909 8.679 0.230 19713 5219 1 18 . 1 1 37 37 VAL N N 37 122.751 122.751 123.580 -0.829 19713 5220 1 18 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.408 0.569 19713 5221 1 18 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.705 0.116 19713 5222 1 18 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.762 1.337 19713 5223 1 18 . 1 1 37 37 VAL H H 37 8.691 8.691 8.522 0.169 19713 5224 1 18 . 1 1 38 38 TRP N N 38 128.913 128.913 127.812 1.101 19713 5225 1 18 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.046 0.036 19713 5226 1 18 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.623 1.150 19713 5227 1 18 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.517 2.691 19713 5228 1 18 . 1 1 38 38 TRP H H 38 9.644 9.644 7.786 1.858 19713 5229 1 18 . 1 1 39 39 LEU N N 39 122.523 122.523 121.751 0.772 19713 5230 1 18 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.667 0.184 19713 5231 1 18 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.081 -1.674 19713 5232 1 18 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.557 2.341 19713 5233 1 18 . 1 1 39 39 LEU H H 39 9.378 9.378 8.351 1.027 19713 5234 1 18 . 1 1 40 40 ALA N N 40 129.759 129.759 125.795 3.964 19713 5235 1 18 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.419 0.159 19713 5236 1 18 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.700 1.591 19713 5237 1 18 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.139 -0.103 19713 5238 1 18 . 1 1 40 40 ALA H H 40 8.806 8.806 8.469 0.337 19713 5239 1 18 . 1 1 41 41 ASP N N 41 115.611 115.611 119.823 -4.212 19713 5240 1 18 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.622 0.203 19713 5241 1 18 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.343 -1.326 19713 5242 1 18 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.712 -1.095 19713 5243 1 18 . 1 1 41 41 ASP H H 41 7.774 7.774 8.388 -0.614 19713 5244 1 18 . 1 1 42 42 GLU N N 42 123.031 123.031 124.299 -1.268 19713 5245 1 18 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.922 -0.288 19713 5246 1 18 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.622 0.067 19713 5247 1 18 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.654 -1.021 19713 5248 1 18 . 1 1 42 42 GLU H H 42 8.508 8.508 8.220 0.288 19713 5249 1 18 . 1 1 43 43 SER N N 43 116.358 116.358 115.392 0.966 19713 5250 1 18 . 1 1 43 43 SER HA H 43 4.373 4.373 4.185 0.188 19713 5251 1 18 . 1 1 43 43 SER CA C 43 61.171 61.171 61.322 -0.151 19713 5252 1 18 . 1 1 43 43 SER CB C 43 62.526 62.526 62.699 -0.173 19713 5253 1 18 . 1 1 43 43 SER H H 43 8.325 8.325 8.128 0.197 19713 5254 1 18 . 1 1 44 44 GLN N N 44 118.846 118.846 118.668 0.178 19713 5255 1 18 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.325 0.337 19713 5256 1 18 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.174 -1.701 19713 5257 1 18 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.326 -0.191 19713 5258 1 18 . 1 1 44 44 GLN H H 44 7.741 7.741 8.188 -0.447 19713 5259 1 18 . 1 1 45 45 ALA N N 45 122.785 122.785 122.756 0.029 19713 5260 1 18 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.971 -0.421 19713 5261 1 18 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.500 1.463 19713 5262 1 18 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.282 0.515 19713 5263 1 18 . 1 1 45 45 ALA H H 45 7.567 7.567 7.877 -0.310 19713 5264 1 18 . 1 1 46 46 GLU N N 46 116.794 116.794 118.081 -1.287 19713 5265 1 18 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.977 0.055 19713 5266 1 18 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.650 0.170 19713 5267 1 18 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.071 -0.383 19713 5268 1 18 . 1 1 46 46 GLU H H 46 8.686 8.686 8.022 0.664 19713 5269 1 18 . 1 1 47 47 ARG N N 47 122.101 122.101 120.519 1.582 19713 5270 1 18 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.059 0.186 19713 5271 1 18 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.014 -0.201 19713 5272 1 18 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.011 0.055 19713 5273 1 18 . 1 1 47 47 ARG H H 47 8.042 8.042 7.990 0.052 19713 5274 1 18 . 1 1 48 48 VAL N N 48 118.395 118.395 116.276 2.119 19713 5275 1 18 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.599 0.051 19713 5276 1 18 . 1 1 48 48 VAL CA C 48 66.962 66.962 66.062 0.900 19713 5277 1 18 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.055 0.199 19713 5278 1 18 . 1 1 48 48 VAL H H 48 8.466 8.466 8.180 0.286 19713 5279 1 18 . 1 1 49 49 ARG N N 49 119.126 119.126 120.668 -1.542 19713 5280 1 18 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.938 -0.067 19713 5281 1 18 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.739 1.018 19713 5282 1 18 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.877 -0.318 19713 5283 1 18 . 1 1 49 49 ARG H H 49 8.604 8.604 7.955 0.649 19713 5284 1 18 . 1 1 50 50 ALA N N 50 123.287 123.287 121.821 1.466 19713 5285 1 18 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.053 0.221 19713 5286 1 18 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.239 -0.117 19713 5287 1 18 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.019 -0.011 19713 5288 1 18 . 1 1 50 50 ALA H H 50 8.081 8.081 8.029 0.052 19713 5289 1 18 . 1 1 51 51 GLU N N 51 118.576 118.576 118.551 0.025 19713 5290 1 18 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.989 0.460 19713 5291 1 18 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.737 -0.396 19713 5292 1 18 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.139 0.980 19713 5293 1 18 . 1 1 51 51 GLU H H 51 8.386 8.386 7.948 0.438 19713 5294 1 18 . 1 1 52 52 LEU N N 52 122.397 122.397 120.573 1.824 19713 5295 1 18 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.972 -0.034 19713 5296 1 18 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.167 -0.422 19713 5297 1 18 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.733 -0.490 19713 5298 1 18 . 1 1 52 52 LEU H H 52 8.976 8.976 8.458 0.518 19713 5299 1 18 . 1 1 53 53 ALA N N 53 119.025 119.025 120.737 -1.712 19713 5300 1 18 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.972 0.082 19713 5301 1 18 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.223 -0.129 19713 5302 1 18 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.151 -0.553 19713 5303 1 18 . 1 1 53 53 ALA H H 53 7.418 7.418 8.133 -0.715 19713 5304 1 18 . 1 1 54 54 ARG N N 54 116.311 116.311 117.974 -1.663 19713 5305 1 18 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.112 0.024 19713 5306 1 18 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.686 0.000 19713 5307 1 18 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.347 0.093 19713 5308 1 18 . 1 1 54 54 ARG H H 54 7.316 7.316 7.920 -0.604 19713 5309 1 18 . 1 1 55 55 PHE N N 55 122.048 122.048 120.698 1.350 19713 5310 1 18 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.422 -0.389 19713 5311 1 18 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.798 0.988 19713 5312 1 18 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.878 0.178 19713 5313 1 18 . 1 1 55 55 PHE H H 55 8.729 8.729 8.041 0.688 19713 5314 1 18 . 1 1 56 56 LEU N N 56 116.538 116.538 119.570 -3.032 19713 5315 1 18 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.965 0.078 19713 5316 1 18 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.547 -1.830 19713 5317 1 18 . 1 1 56 56 LEU CB C 56 42.035 42.035 42.193 -0.158 19713 5318 1 18 . 1 1 56 56 LEU H H 56 8.133 8.133 8.683 -0.550 19713 5319 1 18 . 1 1 57 57 GLU N N 57 118.454 118.454 116.018 2.436 19713 5320 1 18 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.184 -0.080 19713 5321 1 18 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.815 0.739 19713 5322 1 18 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.630 0.396 19713 5323 1 18 . 1 1 57 57 GLU H H 57 7.479 7.479 7.723 -0.244 19713 5324 1 18 . 1 1 58 58 ASN N N 58 116.134 116.134 119.941 -3.807 19713 5325 1 18 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.001 -0.095 19713 5326 1 18 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.173 0.991 19713 5327 1 18 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.908 -0.097 19713 5328 1 18 . 1 1 58 58 ASN H H 58 7.722 7.722 7.703 0.019 19713 5329 1 18 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.328 -0.238 19713 5330 1 18 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.456 0.427 19713 5331 1 18 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.349 1.507 19713 5332 1 18 . 1 1 60 60 ALA N N 60 123.290 123.290 126.724 -3.434 19713 5333 1 18 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.274 -0.078 19713 5334 1 18 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.824 0.053 19713 5335 1 18 . 1 1 60 60 ALA CB C 60 18.898 18.898 19.907 -1.009 19713 5336 1 18 . 1 1 60 60 ALA H H 60 7.995 7.995 8.039 -0.044 19713 5337 1 18 . 1 1 61 61 ASP N N 61 118.409 118.409 119.644 -1.235 19713 5338 1 18 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.573 0.002 19713 5339 1 18 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.839 -1.565 19713 5340 1 18 . 1 1 61 61 ASP CB C 61 40.887 40.887 42.668 -1.781 19713 5341 1 18 . 1 1 61 61 ASP H H 61 7.985 7.985 7.713 0.272 19713 5342 1 18 . 1 1 62 62 LEU N N 62 121.754 121.754 120.668 1.086 19713 5343 1 18 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.267 -0.097 19713 5344 1 18 . 1 1 62 62 LEU CA C 62 55.673 55.673 55.812 -0.139 19713 5345 1 18 . 1 1 62 62 LEU CB C 62 41.992 41.992 40.703 1.290 19713 5346 1 18 . 1 1 62 62 LEU H H 62 7.921 7.921 7.832 0.089 19713 5347 1 19 . 1 1 2 2 LEU N N 2 123.873 123.873 125.473 -1.600 19713 5348 1 19 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.758 0.082 19713 5349 1 19 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.802 -1.103 19713 5350 1 19 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.531 3.012 19713 5351 1 19 . 1 1 2 2 LEU H H 2 8.977 8.977 8.430 0.547 19713 5352 1 19 . 1 1 3 3 MET N N 3 128.873 128.873 124.327 4.546 19713 5353 1 19 . 1 1 3 3 MET HA H 3 3.402 3.402 4.391 -0.989 19713 5354 1 19 . 1 1 3 3 MET CA C 3 55.648 55.648 55.713 -0.065 19713 5355 1 19 . 1 1 3 3 MET CB C 3 31.068 31.068 32.694 -1.626 19713 5356 1 19 . 1 1 3 3 MET H H 3 8.669 8.669 8.522 0.147 19713 5357 1 19 . 1 1 4 4 ILE N N 4 127.600 127.600 123.594 4.006 19713 5358 1 19 . 1 1 4 4 ILE HA H 4 3.923 3.923 3.999 -0.076 19713 5359 1 19 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.703 -2.039 19713 5360 1 19 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.880 -0.006 19713 5361 1 19 . 1 1 4 4 ILE H H 4 8.843 8.843 8.501 0.342 19713 5362 1 19 . 1 1 5 5 THR N N 5 109.859 109.859 110.162 -0.303 19713 5363 1 19 . 1 1 5 5 THR HA H 5 4.232 4.232 4.204 0.028 19713 5364 1 19 . 1 1 5 5 THR CA C 5 60.044 60.044 61.241 -1.197 19713 5365 1 19 . 1 1 5 5 THR CB C 5 98.915 98.915 68.823 30.091 19713 5366 1 19 . 1 1 5 5 THR H H 5 7.255 7.255 7.482 -0.227 19713 5367 1 19 . 1 1 6 6 SER N N 6 116.037 116.037 116.238 -0.201 19713 5368 1 19 . 1 1 6 6 SER HA H 6 5.353 5.353 4.599 0.754 19713 5369 1 19 . 1 1 6 6 SER CA C 6 56.774 56.774 57.479 -0.705 19713 5370 1 19 . 1 1 6 6 SER CB C 6 64.813 64.813 64.348 0.465 19713 5371 1 19 . 1 1 6 6 SER H H 6 7.717 7.717 7.869 -0.152 19713 5372 1 19 . 1 1 7 7 PHE N N 7 121.810 121.810 121.570 0.240 19713 5373 1 19 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.757 0.154 19713 5374 1 19 . 1 1 7 7 PHE CA C 7 56.763 56.763 57.570 -0.807 19713 5375 1 19 . 1 1 7 7 PHE CB C 7 43.423 43.423 41.799 1.624 19713 5376 1 19 . 1 1 7 7 PHE H H 7 8.928 8.928 8.362 0.566 19713 5377 1 19 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.497 0.098 19713 5378 1 19 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.895 1.683 19713 5379 1 19 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.451 -0.401 19713 5380 1 19 . 1 1 9 9 ASN N N 9 116.543 116.543 117.899 -1.356 19713 5381 1 19 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.100 0.150 19713 5382 1 19 . 1 1 9 9 ASN CA C 9 49.672 49.672 52.020 -2.348 19713 5383 1 19 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.487 -0.730 19713 5384 1 19 . 1 1 9 9 ASN H H 9 8.133 8.133 7.787 0.346 19713 5385 1 19 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.438 -0.100 19713 5386 1 19 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.205 -0.627 19713 5387 1 19 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.078 0.277 19713 5388 1 19 . 1 1 11 11 ARG N N 11 118.730 118.730 119.469 -0.739 19713 5389 1 19 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.031 0.123 19713 5390 1 19 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.165 -0.314 19713 5391 1 19 . 1 1 11 11 ARG CB C 11 29.603 29.603 28.405 1.198 19713 5392 1 19 . 1 1 11 11 ARG H H 11 8.091 8.091 8.663 -0.572 19713 5393 1 19 . 1 1 12 12 VAL N N 12 122.396 122.396 120.473 1.923 19713 5394 1 19 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.646 -0.011 19713 5395 1 19 . 1 1 12 12 VAL CA C 12 65.532 65.532 64.620 0.912 19713 5396 1 19 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.748 1.014 19713 5397 1 19 . 1 1 12 12 VAL H H 12 7.235 7.235 7.787 -0.552 19713 5398 1 19 . 1 1 13 13 ALA N N 13 119.674 119.674 121.903 -2.229 19713 5399 1 19 . 1 1 13 13 ALA HA H 13 3.124 3.124 4.086 -0.962 19713 5400 1 19 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.625 -0.910 19713 5401 1 19 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.086 0.671 19713 5402 1 19 . 1 1 13 13 ALA H H 13 6.857 6.857 7.789 -0.932 19713 5403 1 19 . 1 1 14 14 GLN N N 14 115.202 115.202 119.296 -4.094 19713 5404 1 19 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.021 -0.338 19713 5405 1 19 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.510 -0.722 19713 5406 1 19 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.267 0.140 19713 5407 1 19 . 1 1 14 14 GLN H H 14 7.800 7.800 8.517 -0.717 19713 5408 1 19 . 1 1 15 15 ALA N N 15 121.416 121.416 121.750 -0.334 19713 5409 1 19 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.034 0.263 19713 5410 1 19 . 1 1 15 15 ALA CA C 15 54.990 54.990 54.924 0.066 19713 5411 1 19 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.157 -0.421 19713 5412 1 19 . 1 1 15 15 ALA H H 15 7.882 7.882 7.931 -0.049 19713 5413 1 19 . 1 1 16 16 PHE N N 16 120.765 120.765 119.354 1.411 19713 5414 1 19 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.423 -0.811 19713 5415 1 19 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.517 -1.375 19713 5416 1 19 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.203 -0.544 19713 5417 1 19 . 1 1 16 16 PHE H H 16 8.150 8.150 8.289 -0.139 19713 5418 1 19 . 1 1 17 17 VAL N N 17 120.622 120.622 118.579 2.043 19713 5419 1 19 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.624 -0.413 19713 5420 1 19 . 1 1 17 17 VAL CA C 17 67.635 67.635 66.353 1.282 19713 5421 1 19 . 1 1 17 17 VAL CB C 17 31.503 31.503 32.016 -0.512 19713 5422 1 19 . 1 1 17 17 VAL H H 17 8.193 8.193 8.468 -0.275 19713 5423 1 19 . 1 1 18 18 ASP N N 18 123.142 123.142 121.260 1.882 19713 5424 1 19 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.360 0.033 19713 5425 1 19 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.153 0.397 19713 5426 1 19 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.656 -0.834 19713 5427 1 19 . 1 1 18 18 ASP H H 18 9.093 9.093 8.096 0.997 19713 5428 1 19 . 1 1 19 19 TYR N N 19 122.100 122.100 119.575 2.525 19713 5429 1 19 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.183 0.206 19713 5430 1 19 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.607 0.187 19713 5431 1 19 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.151 -0.164 19713 5432 1 19 . 1 1 19 19 TYR H H 19 8.142 8.142 8.124 0.018 19713 5433 1 19 . 1 1 20 20 MET N N 20 119.265 119.265 117.920 1.345 19713 5434 1 19 . 1 1 20 20 MET HA H 20 3.987 3.987 3.518 0.469 19713 5435 1 19 . 1 1 20 20 MET CA C 20 56.147 56.147 56.941 -0.794 19713 5436 1 19 . 1 1 20 20 MET CB C 20 28.818 28.818 32.459 -3.641 19713 5437 1 19 . 1 1 20 20 MET H H 20 8.421 8.421 7.944 0.477 19713 5438 1 19 . 1 1 21 21 ALA N N 21 124.076 124.076 120.946 3.130 19713 5439 1 19 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.267 -0.172 19713 5440 1 19 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.725 0.815 19713 5441 1 19 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.201 -0.885 19713 5442 1 19 . 1 1 21 21 ALA H H 21 8.107 8.107 7.653 0.454 19713 5443 1 19 . 1 1 22 22 THR N N 22 111.538 111.538 112.491 -0.953 19713 5444 1 19 . 1 1 22 22 THR HA H 22 4.236 4.236 4.182 0.054 19713 5445 1 19 . 1 1 22 22 THR CA C 22 64.631 64.631 64.183 0.448 19713 5446 1 19 . 1 1 22 22 THR CB C 22 69.311 69.311 68.820 0.491 19713 5447 1 19 . 1 1 22 22 THR H H 22 7.590 7.590 7.866 -0.276 19713 5448 1 19 . 1 1 23 23 GLN N N 23 118.055 118.055 118.743 -0.688 19713 5449 1 19 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.348 0.013 19713 5450 1 19 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.643 -1.910 19713 5451 1 19 . 1 1 23 23 GLN CB C 23 28.847 28.847 28.923 -0.076 19713 5452 1 19 . 1 1 23 23 GLN H H 23 7.219 7.219 7.391 -0.172 19713 5453 1 19 . 1 1 24 24 GLY N N 24 106.367 106.367 106.929 -0.562 19713 5454 1 19 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.110 0.374 19713 5455 1 19 . 1 1 24 24 GLY H H 24 7.641 7.641 7.608 0.033 19713 5456 1 19 . 1 1 25 25 VAL N N 25 120.869 120.869 122.362 -1.493 19713 5457 1 19 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.310 -0.048 19713 5458 1 19 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.723 0.157 19713 5459 1 19 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.121 1.708 19713 5460 1 19 . 1 1 25 25 VAL H H 25 7.664 7.664 7.847 -0.183 19713 5461 1 19 . 1 1 26 26 ILE N N 26 128.372 128.372 128.425 -0.053 19713 5462 1 19 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.097 -0.174 19713 5463 1 19 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.432 -0.437 19713 5464 1 19 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.337 -0.401 19713 5465 1 19 . 1 1 26 26 ILE H H 26 9.003 9.003 8.499 0.504 19713 5466 1 19 . 1 1 27 27 LEU N N 27 130.068 130.068 126.076 3.992 19713 5467 1 19 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.758 0.456 19713 5468 1 19 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.769 -0.746 19713 5469 1 19 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.493 0.311 19713 5470 1 19 . 1 1 27 27 LEU H H 27 8.291 8.291 8.333 -0.042 19713 5471 1 19 . 1 1 28 28 THR N N 28 111.171 111.171 115.636 -4.465 19713 5472 1 19 . 1 1 28 28 THR HA H 28 4.763 4.763 4.531 0.232 19713 5473 1 19 . 1 1 28 28 THR CA C 28 60.132 60.132 61.464 -1.332 19713 5474 1 19 . 1 1 28 28 THR CB C 28 71.760 71.760 70.433 1.327 19713 5475 1 19 . 1 1 28 28 THR H H 28 8.948 8.948 8.207 0.741 19713 5476 1 19 . 1 1 29 29 ILE N N 29 121.390 121.390 122.243 -0.853 19713 5477 1 19 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.442 0.868 19713 5478 1 19 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.279 -0.371 19713 5479 1 19 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.273 1.495 19713 5480 1 19 . 1 1 29 29 ILE H H 29 8.713 8.713 8.445 0.268 19713 5481 1 19 . 1 1 30 30 GLN N N 30 127.776 127.776 124.571 3.205 19713 5482 1 19 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.572 0.200 19713 5483 1 19 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.251 -0.622 19713 5484 1 19 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.640 1.669 19713 5485 1 19 . 1 1 30 30 GLN H H 30 9.518 9.518 8.556 0.962 19713 5486 1 19 . 1 1 31 31 GLN N N 31 125.893 125.893 123.056 2.837 19713 5487 1 19 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.517 0.746 19713 5488 1 19 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.469 -0.459 19713 5489 1 19 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.350 1.046 19713 5490 1 19 . 1 1 31 31 GLN H H 31 9.029 9.029 8.639 0.390 19713 5491 1 19 . 1 1 32 32 HIS N N 32 121.451 121.451 123.276 -1.825 19713 5492 1 19 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.458 0.508 19713 5493 1 19 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.475 -1.961 19713 5494 1 19 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.506 0.154 19713 5495 1 19 . 1 1 32 32 HIS H H 32 8.912 8.912 8.655 0.257 19713 5496 1 19 . 1 1 33 33 ASN N N 33 121.954 121.954 117.869 4.085 19713 5497 1 19 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.957 0.243 19713 5498 1 19 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.584 0.522 19713 5499 1 19 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.987 -0.539 19713 5500 1 19 . 1 1 33 33 ASN H H 33 8.940 8.940 8.797 0.143 19713 5501 1 19 . 1 1 34 34 GLN N N 34 123.175 123.175 121.326 1.849 19713 5502 1 19 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.837 -0.218 19713 5503 1 19 . 1 1 34 34 GLN CA C 34 55.582 55.582 54.820 0.762 19713 5504 1 19 . 1 1 34 34 GLN CB C 34 32.175 32.175 31.580 0.595 19713 5505 1 19 . 1 1 34 34 GLN H H 34 8.648 8.648 9.023 -0.375 19713 5506 1 19 . 1 1 35 35 SER N N 35 118.568 118.568 116.488 2.080 19713 5507 1 19 . 1 1 35 35 SER HA H 35 4.784 4.784 4.609 0.175 19713 5508 1 19 . 1 1 35 35 SER CA C 35 57.693 57.693 58.024 -0.331 19713 5509 1 19 . 1 1 35 35 SER CB C 35 64.218 64.218 64.190 0.028 19713 5510 1 19 . 1 1 35 35 SER H H 35 8.744 8.744 8.223 0.521 19713 5511 1 19 . 1 1 36 36 ASP N N 36 127.988 127.988 125.457 2.531 19713 5512 1 19 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.852 0.135 19713 5513 1 19 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.792 0.340 19713 5514 1 19 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.917 -0.013 19713 5515 1 19 . 1 1 36 36 ASP H H 36 8.909 8.909 8.434 0.475 19713 5516 1 19 . 1 1 37 37 VAL N N 37 122.751 122.751 124.244 -1.493 19713 5517 1 19 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.383 0.594 19713 5518 1 19 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.670 0.151 19713 5519 1 19 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.181 0.918 19713 5520 1 19 . 1 1 37 37 VAL H H 37 8.691 8.691 8.422 0.269 19713 5521 1 19 . 1 1 38 38 TRP N N 38 128.913 128.913 127.555 1.358 19713 5522 1 19 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.007 0.075 19713 5523 1 19 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.390 1.383 19713 5524 1 19 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.476 2.732 19713 5525 1 19 . 1 1 38 38 TRP H H 38 9.644 9.644 7.764 1.880 19713 5526 1 19 . 1 1 39 39 LEU N N 39 122.523 122.523 123.215 -0.692 19713 5527 1 19 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.577 0.274 19713 5528 1 19 . 1 1 39 39 LEU CA C 39 53.407 53.407 54.822 -1.415 19713 5529 1 19 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.439 2.459 19713 5530 1 19 . 1 1 39 39 LEU H H 39 9.378 9.378 8.403 0.975 19713 5531 1 19 . 1 1 40 40 ALA N N 40 129.759 129.759 125.736 4.023 19713 5532 1 19 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.457 0.121 19713 5533 1 19 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.770 1.522 19713 5534 1 19 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.636 -0.600 19713 5535 1 19 . 1 1 40 40 ALA H H 40 8.806 8.806 8.339 0.467 19713 5536 1 19 . 1 1 41 41 ASP N N 41 115.611 115.611 119.357 -3.746 19713 5537 1 19 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.626 0.199 19713 5538 1 19 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.181 -1.164 19713 5539 1 19 . 1 1 41 41 ASP CB C 41 38.617 38.617 40.036 -1.419 19713 5540 1 19 . 1 1 41 41 ASP H H 41 7.774 7.774 8.177 -0.403 19713 5541 1 19 . 1 1 42 42 GLU N N 42 123.031 123.031 126.207 -3.176 19713 5542 1 19 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.898 -0.264 19713 5543 1 19 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.703 -0.014 19713 5544 1 19 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.679 -1.046 19713 5545 1 19 . 1 1 42 42 GLU H H 42 8.508 8.508 8.389 0.119 19713 5546 1 19 . 1 1 43 43 SER N N 43 116.358 116.358 114.806 1.552 19713 5547 1 19 . 1 1 43 43 SER HA H 43 4.373 4.373 4.153 0.220 19713 5548 1 19 . 1 1 43 43 SER CA C 43 61.171 61.171 61.655 -0.484 19713 5549 1 19 . 1 1 43 43 SER CB C 43 62.526 62.526 62.761 -0.235 19713 5550 1 19 . 1 1 43 43 SER H H 43 8.325 8.325 7.980 0.345 19713 5551 1 19 . 1 1 44 44 GLN N N 44 118.846 118.846 119.458 -0.612 19713 5552 1 19 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.337 0.325 19713 5553 1 19 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.873 -2.400 19713 5554 1 19 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.837 -0.702 19713 5555 1 19 . 1 1 44 44 GLN H H 44 7.741 7.741 8.141 -0.400 19713 5556 1 19 . 1 1 45 45 ALA N N 45 122.785 122.785 122.693 0.092 19713 5557 1 19 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.974 -0.424 19713 5558 1 19 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.587 1.376 19713 5559 1 19 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.161 0.636 19713 5560 1 19 . 1 1 45 45 ALA H H 45 7.567 7.567 7.890 -0.323 19713 5561 1 19 . 1 1 46 46 GLU N N 46 116.794 116.794 118.060 -1.266 19713 5562 1 19 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.971 0.061 19713 5563 1 19 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.518 0.302 19713 5564 1 19 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.085 -0.397 19713 5565 1 19 . 1 1 46 46 GLU H H 46 8.686 8.686 7.998 0.688 19713 5566 1 19 . 1 1 47 47 ARG N N 47 122.101 122.101 120.439 1.662 19713 5567 1 19 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.056 0.189 19713 5568 1 19 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.091 -0.278 19713 5569 1 19 . 1 1 47 47 ARG CB C 47 30.066 30.066 30.128 -0.062 19713 5570 1 19 . 1 1 47 47 ARG H H 47 8.042 8.042 7.977 0.065 19713 5571 1 19 . 1 1 48 48 VAL N N 48 118.395 118.395 116.818 1.577 19713 5572 1 19 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.697 -0.047 19713 5573 1 19 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.421 1.541 19713 5574 1 19 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.471 0.783 19713 5575 1 19 . 1 1 48 48 VAL H H 48 8.466 8.466 8.175 0.291 19713 5576 1 19 . 1 1 49 49 ARG N N 49 119.126 119.126 121.012 -1.886 19713 5577 1 19 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.931 -0.060 19713 5578 1 19 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.860 0.896 19713 5579 1 19 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.864 -0.305 19713 5580 1 19 . 1 1 49 49 ARG H H 49 8.604 8.604 7.965 0.639 19713 5581 1 19 . 1 1 50 50 ALA N N 50 123.287 123.287 121.805 1.482 19713 5582 1 19 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.056 0.218 19713 5583 1 19 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.262 -0.140 19713 5584 1 19 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.020 -0.012 19713 5585 1 19 . 1 1 50 50 ALA H H 50 8.081 8.081 8.032 0.049 19713 5586 1 19 . 1 1 51 51 GLU N N 51 118.576 118.576 118.502 0.074 19713 5587 1 19 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.026 0.423 19713 5588 1 19 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.703 -0.362 19713 5589 1 19 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.171 0.947 19713 5590 1 19 . 1 1 51 51 GLU H H 51 8.386 8.386 7.988 0.398 19713 5591 1 19 . 1 1 52 52 LEU N N 52 122.397 122.397 120.709 1.688 19713 5592 1 19 . 1 1 52 52 LEU HA H 52 3.938 3.938 3.966 -0.028 19713 5593 1 19 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.407 -0.662 19713 5594 1 19 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.675 -0.432 19713 5595 1 19 . 1 1 52 52 LEU H H 52 8.976 8.976 8.401 0.575 19713 5596 1 19 . 1 1 53 53 ALA N N 53 119.025 119.025 121.020 -1.995 19713 5597 1 19 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.974 0.080 19713 5598 1 19 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.275 -0.181 19713 5599 1 19 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.183 -0.586 19713 5600 1 19 . 1 1 53 53 ALA H H 53 7.418 7.418 8.114 -0.696 19713 5601 1 19 . 1 1 54 54 ARG N N 54 116.311 116.311 117.434 -1.123 19713 5602 1 19 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.303 -0.167 19713 5603 1 19 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.339 0.347 19713 5604 1 19 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.231 0.209 19713 5605 1 19 . 1 1 54 54 ARG H H 54 7.316 7.316 7.877 -0.561 19713 5606 1 19 . 1 1 55 55 PHE N N 55 122.048 122.048 120.417 1.631 19713 5607 1 19 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.464 -0.431 19713 5608 1 19 . 1 1 55 55 PHE CA C 55 60.786 60.786 60.120 0.666 19713 5609 1 19 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.774 0.282 19713 5610 1 19 . 1 1 55 55 PHE H H 55 8.729 8.729 7.989 0.740 19713 5611 1 19 . 1 1 56 56 LEU N N 56 116.538 116.538 121.006 -4.468 19713 5612 1 19 . 1 1 56 56 LEU HA H 56 4.043 4.043 4.087 -0.044 19713 5613 1 19 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.780 -2.063 19713 5614 1 19 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.998 0.037 19713 5615 1 19 . 1 1 56 56 LEU H H 56 8.133 8.133 8.830 -0.697 19713 5616 1 19 . 1 1 57 57 GLU N N 57 118.454 118.454 117.230 1.224 19713 5617 1 19 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.210 -0.106 19713 5618 1 19 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.956 0.598 19713 5619 1 19 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.779 0.247 19713 5620 1 19 . 1 1 57 57 GLU H H 57 7.479 7.479 7.941 -0.462 19713 5621 1 19 . 1 1 58 58 ASN N N 58 116.134 116.134 119.772 -3.638 19713 5622 1 19 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.079 -0.173 19713 5623 1 19 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.222 0.942 19713 5624 1 19 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.061 0.750 19713 5625 1 19 . 1 1 58 58 ASN H H 58 7.722 7.722 8.147 -0.425 19713 5626 1 19 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.522 -0.432 19713 5627 1 19 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.506 0.377 19713 5628 1 19 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.314 1.542 19713 5629 1 19 . 1 1 60 60 ALA N N 60 123.290 123.290 126.660 -3.370 19713 5630 1 19 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.564 -0.368 19713 5631 1 19 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.857 0.020 19713 5632 1 19 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.459 -1.561 19713 5633 1 19 . 1 1 60 60 ALA H H 60 7.995 7.995 8.267 -0.272 19713 5634 1 19 . 1 1 61 61 ASP N N 61 118.409 118.409 119.602 -1.193 19713 5635 1 19 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.586 -0.011 19713 5636 1 19 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.331 -2.057 19713 5637 1 19 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.525 -0.638 19713 5638 1 19 . 1 1 61 61 ASP H H 61 7.985 7.985 8.286 -0.301 19713 5639 1 19 . 1 1 62 62 LEU N N 62 121.754 121.754 117.529 4.225 19713 5640 1 19 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.148 0.022 19713 5641 1 19 . 1 1 62 62 LEU CA C 62 55.673 55.673 57.155 -1.482 19713 5642 1 19 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.337 0.655 19713 5643 1 19 . 1 1 62 62 LEU H H 62 7.921 7.921 8.413 -0.492 19713 5644 1 20 . 1 1 2 2 LEU N N 2 123.873 123.873 125.647 -1.774 19713 5645 1 20 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.719 0.121 19713 5646 1 20 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.599 -0.900 19713 5647 1 20 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.212 3.331 19713 5648 1 20 . 1 1 2 2 LEU H H 2 8.977 8.977 8.333 0.644 19713 5649 1 20 . 1 1 3 3 MET N N 3 128.873 128.873 124.712 4.161 19713 5650 1 20 . 1 1 3 3 MET HA H 3 3.402 3.402 4.484 -1.082 19713 5651 1 20 . 1 1 3 3 MET CA C 3 55.648 55.648 55.956 -0.308 19713 5652 1 20 . 1 1 3 3 MET CB C 3 31.068 31.068 32.986 -1.918 19713 5653 1 20 . 1 1 3 3 MET H H 3 8.669 8.669 8.498 0.171 19713 5654 1 20 . 1 1 4 4 ILE N N 4 127.600 127.600 123.810 3.790 19713 5655 1 20 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.097 -0.174 19713 5656 1 20 . 1 1 4 4 ILE CA C 4 59.664 59.664 62.197 -2.533 19713 5657 1 20 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.890 -0.016 19713 5658 1 20 . 1 1 4 4 ILE H H 4 8.843 8.843 8.579 0.264 19713 5659 1 20 . 1 1 5 5 THR N N 5 109.859 109.859 110.606 -0.747 19713 5660 1 20 . 1 1 5 5 THR HA H 5 4.232 4.232 4.271 -0.039 19713 5661 1 20 . 1 1 5 5 THR CA C 5 60.044 60.044 61.571 -1.527 19713 5662 1 20 . 1 1 5 5 THR CB C 5 98.915 98.915 69.394 29.521 19713 5663 1 20 . 1 1 5 5 THR H H 5 7.255 7.255 7.682 -0.427 19713 5664 1 20 . 1 1 6 6 SER N N 6 116.037 116.037 116.165 -0.128 19713 5665 1 20 . 1 1 6 6 SER HA H 6 5.353 5.353 4.686 0.667 19713 5666 1 20 . 1 1 6 6 SER CA C 6 56.774 56.774 57.774 -1.000 19713 5667 1 20 . 1 1 6 6 SER CB C 6 64.813 64.813 64.607 0.206 19713 5668 1 20 . 1 1 6 6 SER H H 6 7.717 7.717 8.012 -0.295 19713 5669 1 20 . 1 1 7 7 PHE N N 7 121.810 121.810 121.124 0.686 19713 5670 1 20 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.625 0.286 19713 5671 1 20 . 1 1 7 7 PHE CA C 7 56.763 56.763 57.480 -0.717 19713 5672 1 20 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.726 2.697 19713 5673 1 20 . 1 1 7 7 PHE H H 7 8.928 8.928 8.211 0.717 19713 5674 1 20 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.538 0.057 19713 5675 1 20 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.986 1.592 19713 5676 1 20 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.493 -0.443 19713 5677 1 20 . 1 1 9 9 ASN N N 9 116.543 116.543 117.583 -1.040 19713 5678 1 20 . 1 1 9 9 ASN HA H 9 5.250 5.250 5.060 0.190 19713 5679 1 20 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.434 -1.762 19713 5680 1 20 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.720 -0.962 19713 5681 1 20 . 1 1 9 9 ASN H H 9 8.133 8.133 8.053 0.080 19713 5682 1 20 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.418 -0.080 19713 5683 1 20 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.120 -0.541 19713 5684 1 20 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.064 0.291 19713 5685 1 20 . 1 1 11 11 ARG N N 11 118.730 118.730 119.446 -0.716 19713 5686 1 20 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.053 0.101 19713 5687 1 20 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.095 -0.244 19713 5688 1 20 . 1 1 11 11 ARG CB C 11 29.603 29.603 28.631 0.972 19713 5689 1 20 . 1 1 11 11 ARG H H 11 8.091 8.091 8.765 -0.674 19713 5690 1 20 . 1 1 12 12 VAL N N 12 122.396 122.396 120.206 2.190 19713 5691 1 20 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.670 -0.035 19713 5692 1 20 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.159 0.373 19713 5693 1 20 . 1 1 12 12 VAL CB C 12 31.762 31.762 31.232 0.530 19713 5694 1 20 . 1 1 12 12 VAL H H 12 7.235 7.235 7.826 -0.591 19713 5695 1 20 . 1 1 13 13 ALA N N 13 119.674 119.674 121.651 -1.977 19713 5696 1 20 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.511 -0.387 19713 5697 1 20 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.366 -0.651 19713 5698 1 20 . 1 1 13 13 ALA CB C 13 18.757 18.757 17.797 0.960 19713 5699 1 20 . 1 1 13 13 ALA H H 13 6.857 6.857 7.614 -0.757 19713 5700 1 20 . 1 1 14 14 GLN N N 14 115.202 115.202 118.963 -3.761 19713 5701 1 20 . 1 1 14 14 GLN HA H 14 3.683 3.683 3.957 -0.274 19713 5702 1 20 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.683 -0.895 19713 5703 1 20 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.382 0.025 19713 5704 1 20 . 1 1 14 14 GLN H H 14 7.800 7.800 8.287 -0.486 19713 5705 1 20 . 1 1 15 15 ALA N N 15 121.416 121.416 122.129 -0.713 19713 5706 1 20 . 1 1 15 15 ALA HA H 15 4.297 4.297 3.979 0.318 19713 5707 1 20 . 1 1 15 15 ALA CA C 15 54.990 54.990 54.969 0.021 19713 5708 1 20 . 1 1 15 15 ALA CB C 15 17.736 17.736 17.910 -0.174 19713 5709 1 20 . 1 1 15 15 ALA H H 15 7.882 7.882 7.843 0.039 19713 5710 1 20 . 1 1 16 16 PHE N N 16 120.765 120.765 118.825 1.940 19713 5711 1 20 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.389 -0.777 19713 5712 1 20 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.634 -1.493 19713 5713 1 20 . 1 1 16 16 PHE CB C 16 38.658 38.658 38.983 -0.325 19713 5714 1 20 . 1 1 16 16 PHE H H 16 8.150 8.150 8.481 -0.331 19713 5715 1 20 . 1 1 17 17 VAL N N 17 120.622 120.622 115.898 4.724 19713 5716 1 20 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.615 -0.404 19713 5717 1 20 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.377 2.258 19713 5718 1 20 . 1 1 17 17 VAL CB C 17 31.503 31.503 30.466 1.037 19713 5719 1 20 . 1 1 17 17 VAL H H 17 8.193 8.193 8.051 0.142 19713 5720 1 20 . 1 1 18 18 ASP N N 18 123.142 123.142 122.411 0.731 19713 5721 1 20 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.347 0.046 19713 5722 1 20 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.840 -0.291 19713 5723 1 20 . 1 1 18 18 ASP CB C 18 39.822 39.822 41.188 -1.367 19713 5724 1 20 . 1 1 18 18 ASP H H 18 9.093 9.093 8.228 0.865 19713 5725 1 20 . 1 1 19 19 TYR N N 19 122.100 122.100 119.228 2.872 19713 5726 1 20 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.278 0.111 19713 5727 1 20 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.353 0.441 19713 5728 1 20 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.032 -0.045 19713 5729 1 20 . 1 1 19 19 TYR H H 19 8.142 8.142 8.148 -0.006 19713 5730 1 20 . 1 1 20 20 MET N N 20 119.265 119.265 116.756 2.509 19713 5731 1 20 . 1 1 20 20 MET HA H 20 3.987 3.987 3.654 0.333 19713 5732 1 20 . 1 1 20 20 MET CA C 20 56.147 56.147 56.889 -0.742 19713 5733 1 20 . 1 1 20 20 MET CB C 20 28.818 28.818 32.254 -3.436 19713 5734 1 20 . 1 1 20 20 MET H H 20 8.421 8.421 7.576 0.845 19713 5735 1 20 . 1 1 21 21 ALA N N 21 124.076 124.076 122.131 1.945 19713 5736 1 20 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.161 -0.066 19713 5737 1 20 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.888 0.652 19713 5738 1 20 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.260 -0.944 19713 5739 1 20 . 1 1 21 21 ALA H H 21 8.107 8.107 7.940 0.167 19713 5740 1 20 . 1 1 22 22 THR N N 22 111.538 111.538 111.672 -0.134 19713 5741 1 20 . 1 1 22 22 THR HA H 22 4.236 4.236 4.112 0.124 19713 5742 1 20 . 1 1 22 22 THR CA C 22 64.631 64.631 64.370 0.261 19713 5743 1 20 . 1 1 22 22 THR CB C 22 69.311 69.311 68.676 0.635 19713 5744 1 20 . 1 1 22 22 THR H H 22 7.590 7.590 7.857 -0.267 19713 5745 1 20 . 1 1 23 23 GLN N N 23 118.055 118.055 118.562 -0.507 19713 5746 1 20 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.362 -0.001 19713 5747 1 20 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.590 -1.857 19713 5748 1 20 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.529 -0.682 19713 5749 1 20 . 1 1 23 23 GLN H H 23 7.219 7.219 7.459 -0.240 19713 5750 1 20 . 1 1 24 24 GLY N N 24 106.367 106.367 107.766 -1.399 19713 5751 1 20 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.037 0.447 19713 5752 1 20 . 1 1 24 24 GLY H H 24 7.641 7.641 7.699 -0.058 19713 5753 1 20 . 1 1 25 25 VAL N N 25 120.869 120.869 120.942 -0.073 19713 5754 1 20 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.275 -0.013 19713 5755 1 20 . 1 1 25 25 VAL CA C 25 60.880 60.880 61.185 -0.305 19713 5756 1 20 . 1 1 25 25 VAL CB C 25 33.830 33.830 33.733 0.098 19713 5757 1 20 . 1 1 25 25 VAL H H 25 7.664 7.664 8.153 -0.489 19713 5758 1 20 . 1 1 26 26 ILE N N 26 128.372 128.372 127.860 0.512 19713 5759 1 20 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.150 -0.227 19713 5760 1 20 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.349 -0.354 19713 5761 1 20 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.541 -0.605 19713 5762 1 20 . 1 1 26 26 ILE H H 26 9.003 9.003 8.464 0.539 19713 5763 1 20 . 1 1 27 27 LEU N N 27 130.068 130.068 126.398 3.670 19713 5764 1 20 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.712 0.502 19713 5765 1 20 . 1 1 27 27 LEU CA C 27 53.023 53.023 54.005 -0.982 19713 5766 1 20 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.345 0.459 19713 5767 1 20 . 1 1 27 27 LEU H H 27 8.291 8.291 8.308 -0.017 19713 5768 1 20 . 1 1 28 28 THR N N 28 111.171 111.171 115.542 -4.371 19713 5769 1 20 . 1 1 28 28 THR HA H 28 4.763 4.763 4.578 0.185 19713 5770 1 20 . 1 1 28 28 THR CA C 28 60.132 60.132 61.577 -1.445 19713 5771 1 20 . 1 1 28 28 THR CB C 28 71.760 71.760 70.311 1.449 19713 5772 1 20 . 1 1 28 28 THR H H 28 8.948 8.948 8.216 0.732 19713 5773 1 20 . 1 1 29 29 ILE N N 29 121.390 121.390 121.939 -0.549 19713 5774 1 20 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.423 0.887 19713 5775 1 20 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.385 -0.477 19713 5776 1 20 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.742 1.026 19713 5777 1 20 . 1 1 29 29 ILE H H 29 8.713 8.713 8.393 0.320 19713 5778 1 20 . 1 1 30 30 GLN N N 30 127.776 127.776 124.085 3.691 19713 5779 1 20 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.578 0.194 19713 5780 1 20 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.290 -0.661 19713 5781 1 20 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.744 1.565 19713 5782 1 20 . 1 1 30 30 GLN H H 30 9.518 9.518 8.562 0.956 19713 5783 1 20 . 1 1 31 31 GLN N N 31 125.893 125.893 123.267 2.626 19713 5784 1 20 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.502 0.761 19713 5785 1 20 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.574 -0.564 19713 5786 1 20 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.104 1.292 19713 5787 1 20 . 1 1 31 31 GLN H H 31 9.029 9.029 8.678 0.351 19713 5788 1 20 . 1 1 32 32 HIS N N 32 121.451 121.451 124.259 -2.808 19713 5789 1 20 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.417 0.549 19713 5790 1 20 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.431 -1.917 19713 5791 1 20 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.504 0.157 19713 5792 1 20 . 1 1 32 32 HIS H H 32 8.912 8.912 8.726 0.186 19713 5793 1 20 . 1 1 33 33 ASN N N 33 121.954 121.954 118.170 3.784 19713 5794 1 20 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.751 0.449 19713 5795 1 20 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.947 0.159 19713 5796 1 20 . 1 1 33 33 ASN CB C 33 40.448 40.448 38.806 1.642 19713 5797 1 20 . 1 1 33 33 ASN H H 33 8.940 8.940 8.603 0.337 19713 5798 1 20 . 1 1 34 34 GLN N N 34 123.175 123.175 121.125 2.050 19713 5799 1 20 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.563 0.056 19713 5800 1 20 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.883 -0.301 19713 5801 1 20 . 1 1 34 34 GLN CB C 34 32.175 32.175 29.564 2.611 19713 5802 1 20 . 1 1 34 34 GLN H H 34 8.648 8.648 8.413 0.235 19713 5803 1 20 . 1 1 35 35 SER N N 35 118.568 118.568 122.151 -3.583 19713 5804 1 20 . 1 1 35 35 SER HA H 35 4.784 4.784 4.649 0.135 19713 5805 1 20 . 1 1 35 35 SER CA C 35 57.693 57.693 57.676 0.017 19713 5806 1 20 . 1 1 35 35 SER CB C 35 64.218 64.218 63.647 0.571 19713 5807 1 20 . 1 1 35 35 SER H H 35 8.744 8.744 8.663 0.081 19713 5808 1 20 . 1 1 36 36 ASP N N 36 127.988 127.988 127.170 0.818 19713 5809 1 20 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.830 0.157 19713 5810 1 20 . 1 1 36 36 ASP CA C 36 54.132 54.132 54.021 0.111 19713 5811 1 20 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.766 0.138 19713 5812 1 20 . 1 1 36 36 ASP H H 36 8.909 8.909 8.677 0.232 19713 5813 1 20 . 1 1 37 37 VAL N N 37 122.751 122.751 122.497 0.254 19713 5814 1 20 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.454 0.523 19713 5815 1 20 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.910 -0.089 19713 5816 1 20 . 1 1 37 37 VAL CB C 37 33.099 33.099 31.944 1.155 19713 5817 1 20 . 1 1 37 37 VAL H H 37 8.691 8.691 8.524 0.167 19713 5818 1 20 . 1 1 38 38 TRP N N 38 128.913 128.913 127.467 1.446 19713 5819 1 20 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.040 0.042 19713 5820 1 20 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.666 1.107 19713 5821 1 20 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.498 2.710 19713 5822 1 20 . 1 1 38 38 TRP H H 38 9.644 9.644 7.829 1.815 19713 5823 1 20 . 1 1 39 39 LEU N N 39 122.523 122.523 121.555 0.968 19713 5824 1 20 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.664 0.187 19713 5825 1 20 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.041 -1.634 19713 5826 1 20 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.580 2.318 19713 5827 1 20 . 1 1 39 39 LEU H H 39 9.378 9.378 8.362 1.016 19713 5828 1 20 . 1 1 40 40 ALA N N 40 129.759 129.759 125.485 4.274 19713 5829 1 20 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.453 0.125 19713 5830 1 20 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.711 1.580 19713 5831 1 20 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.238 -0.202 19713 5832 1 20 . 1 1 40 40 ALA H H 40 8.806 8.806 8.424 0.382 19713 5833 1 20 . 1 1 41 41 ASP N N 41 115.611 115.611 120.225 -4.614 19713 5834 1 20 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.762 0.063 19713 5835 1 20 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.964 -1.947 19713 5836 1 20 . 1 1 41 41 ASP CB C 41 38.617 38.617 40.436 -1.819 19713 5837 1 20 . 1 1 41 41 ASP H H 41 7.774 7.774 8.364 -0.590 19713 5838 1 20 . 1 1 42 42 GLU N N 42 123.031 123.031 124.813 -1.782 19713 5839 1 20 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.994 -0.360 19713 5840 1 20 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.331 0.358 19713 5841 1 20 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.645 -1.012 19713 5842 1 20 . 1 1 42 42 GLU H H 42 8.508 8.508 8.528 -0.020 19713 5843 1 20 . 1 1 43 43 SER N N 43 116.358 116.358 115.226 1.132 19713 5844 1 20 . 1 1 43 43 SER HA H 43 4.373 4.373 4.163 0.210 19713 5845 1 20 . 1 1 43 43 SER CA C 43 61.171 61.171 60.740 0.431 19713 5846 1 20 . 1 1 43 43 SER CB C 43 62.526 62.526 62.975 -0.449 19713 5847 1 20 . 1 1 43 43 SER H H 43 8.325 8.325 8.434 -0.109 19713 5848 1 20 . 1 1 44 44 GLN N N 44 118.846 118.846 119.076 -0.230 19713 5849 1 20 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.308 0.354 19713 5850 1 20 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.240 -1.767 19713 5851 1 20 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.186 -0.051 19713 5852 1 20 . 1 1 44 44 GLN H H 44 7.741 7.741 7.932 -0.191 19713 5853 1 20 . 1 1 45 45 ALA N N 45 122.785 122.785 122.425 0.360 19713 5854 1 20 . 1 1 45 45 ALA HA H 45 3.550 3.550 4.014 -0.464 19713 5855 1 20 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.177 1.786 19713 5856 1 20 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.357 0.440 19713 5857 1 20 . 1 1 45 45 ALA H H 45 7.567 7.567 7.862 -0.295 19713 5858 1 20 . 1 1 46 46 GLU N N 46 116.794 116.794 117.943 -1.149 19713 5859 1 20 . 1 1 46 46 GLU HA H 46 4.032 4.032 4.054 -0.022 19713 5860 1 20 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.423 0.397 19713 5861 1 20 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.486 -0.798 19713 5862 1 20 . 1 1 46 46 GLU H H 46 8.686 8.686 7.949 0.737 19713 5863 1 20 . 1 1 47 47 ARG N N 47 122.101 122.101 120.346 1.755 19713 5864 1 20 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.080 0.165 19713 5865 1 20 . 1 1 47 47 ARG CA C 47 58.813 58.813 58.989 -0.175 19713 5866 1 20 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.467 0.599 19713 5867 1 20 . 1 1 47 47 ARG H H 47 8.042 8.042 8.058 -0.016 19713 5868 1 20 . 1 1 48 48 VAL N N 48 118.395 118.395 116.586 1.809 19713 5869 1 20 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.840 -0.190 19713 5870 1 20 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.710 1.252 19713 5871 1 20 . 1 1 48 48 VAL CB C 48 31.254 31.254 31.314 -0.059 19713 5872 1 20 . 1 1 48 48 VAL H H 48 8.466 8.466 8.587 -0.121 19713 5873 1 20 . 1 1 49 49 ARG N N 49 119.126 119.126 120.840 -1.714 19713 5874 1 20 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.980 -0.109 19713 5875 1 20 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.762 0.994 19713 5876 1 20 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.976 -0.417 19713 5877 1 20 . 1 1 49 49 ARG H H 49 8.604 8.604 7.721 0.883 19713 5878 1 20 . 1 1 50 50 ALA N N 50 123.287 123.287 121.968 1.319 19713 5879 1 20 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.140 0.134 19713 5880 1 20 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.199 -0.076 19713 5881 1 20 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.103 -0.095 19713 5882 1 20 . 1 1 50 50 ALA H H 50 8.081 8.081 8.070 0.011 19713 5883 1 20 . 1 1 51 51 GLU N N 51 118.576 118.576 118.691 -0.115 19713 5884 1 20 . 1 1 51 51 GLU HA H 51 4.449 4.449 4.021 0.428 19713 5885 1 20 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.742 -0.401 19713 5886 1 20 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.215 0.903 19713 5887 1 20 . 1 1 51 51 GLU H H 51 8.386 8.386 7.793 0.593 19713 5888 1 20 . 1 1 52 52 LEU N N 52 122.397 122.397 120.622 1.775 19713 5889 1 20 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.089 -0.151 19713 5890 1 20 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.158 -0.414 19713 5891 1 20 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.754 -0.511 19713 5892 1 20 . 1 1 52 52 LEU H H 52 8.976 8.976 8.458 0.518 19713 5893 1 20 . 1 1 53 53 ALA N N 53 119.025 119.025 120.850 -1.825 19713 5894 1 20 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.993 0.061 19713 5895 1 20 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.085 0.009 19713 5896 1 20 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.118 -0.521 19713 5897 1 20 . 1 1 53 53 ALA H H 53 7.418 7.418 8.015 -0.597 19713 5898 1 20 . 1 1 54 54 ARG N N 54 116.311 116.311 117.513 -1.202 19713 5899 1 20 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.186 -0.050 19713 5900 1 20 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.638 0.048 19713 5901 1 20 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.414 0.026 19713 5902 1 20 . 1 1 54 54 ARG H H 54 7.316 7.316 7.746 -0.430 19713 5903 1 20 . 1 1 55 55 PHE N N 55 122.048 122.048 121.005 1.043 19713 5904 1 20 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.374 -0.341 19713 5905 1 20 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.956 0.830 19713 5906 1 20 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.607 0.449 19713 5907 1 20 . 1 1 55 55 PHE H H 55 8.729 8.729 8.003 0.726 19713 5908 1 20 . 1 1 56 56 LEU N N 56 116.538 116.538 120.794 -4.256 19713 5909 1 20 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.929 0.114 19713 5910 1 20 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.846 -2.129 19713 5911 1 20 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.929 0.106 19713 5912 1 20 . 1 1 56 56 LEU H H 56 8.133 8.133 8.822 -0.689 19713 5913 1 20 . 1 1 57 57 GLU N N 57 118.454 118.454 116.806 1.648 19713 5914 1 20 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.168 -0.064 19713 5915 1 20 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.833 0.721 19713 5916 1 20 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.744 0.282 19713 5917 1 20 . 1 1 57 57 GLU H H 57 7.479 7.479 7.965 -0.486 19713 5918 1 20 . 1 1 58 58 ASN N N 58 116.134 116.134 119.740 -3.606 19713 5919 1 20 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.015 -0.109 19713 5920 1 20 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.175 0.989 19713 5921 1 20 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.279 0.532 19713 5922 1 20 . 1 1 58 58 ASN H H 58 7.722 7.722 7.838 -0.116 19713 5923 1 20 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.310 -0.220 19713 5924 1 20 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.220 0.663 19713 5925 1 20 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.904 0.952 19713 5926 1 20 . 1 1 60 60 ALA N N 60 123.290 123.290 127.700 -4.410 19713 5927 1 20 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.331 -0.135 19713 5928 1 20 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.918 -0.041 19713 5929 1 20 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.234 -1.336 19713 5930 1 20 . 1 1 60 60 ALA H H 60 7.995 7.995 7.916 0.079 19713 5931 1 20 . 1 1 61 61 ASP N N 61 118.409 118.409 119.126 -0.717 19713 5932 1 20 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.592 -0.017 19713 5933 1 20 . 1 1 61 61 ASP CA C 61 54.274 54.274 55.665 -1.391 19713 5934 1 20 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.796 -0.909 19713 5935 1 20 . 1 1 61 61 ASP H H 61 7.985 7.985 8.183 -0.198 19713 5936 1 20 . 1 1 62 62 LEU N N 62 121.754 121.754 117.942 3.812 19713 5937 1 20 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.215 -0.045 19713 5938 1 20 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.828 -1.155 19713 5939 1 20 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.527 0.465 19713 5940 1 20 . 1 1 62 62 LEU H H 62 7.921 7.921 8.212 -0.291 19713 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 58 2.391 -0.157 2.407 19713 2 1 1 "Average Difference" HA 62 0.350 -0.046 0.350 19713 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19713 4 1 1 "Average Difference" CA 61 1.064 0.241 1.045 19713 5 1 1 "Average Difference" CB 60 3.996 -0.672 3.972 19713 6 1 1 "Average Difference" HN 58 0.555 -0.101 0.550 19713 7 1 2 "Average Difference" N 58 2.430 -0.377 2.421 19713 8 1 2 "Average Difference" HA 62 0.348 -0.051 0.347 19713 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19713 10 1 2 "Average Difference" CA 61 1.031 0.252 1.008 19713 11 1 2 "Average Difference" CB 60 4.054 -0.718 4.024 19713 12 1 2 "Average Difference" HN 58 0.558 -0.130 0.548 19713 13 1 3 "Average Difference" N 58 2.489 -0.274 2.495 19713 14 1 3 "Average Difference" HA 62 0.353 -0.060 0.351 19713 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19713 16 1 3 "Average Difference" CA 61 0.989 0.264 0.961 19713 17 1 3 "Average Difference" CB 60 4.065 -0.783 4.022 19713 18 1 3 "Average Difference" HN 58 0.538 -0.123 0.528 19713 19 1 4 "Average Difference" N 58 2.430 -0.364 2.423 19713 20 1 4 "Average Difference" HA 62 0.328 -0.053 0.326 19713 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19713 22 1 4 "Average Difference" CA 61 0.984 0.247 0.960 19713 23 1 4 "Average Difference" CB 60 3.979 -0.694 3.951 19713 24 1 4 "Average Difference" HN 58 0.550 -0.139 0.537 19713 25 1 5 "Average Difference" N 58 2.467 -0.436 2.449 19713 26 1 5 "Average Difference" HA 62 0.359 -0.053 0.358 19713 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19713 28 1 5 "Average Difference" CA 61 1.126 0.287 1.098 19713 29 1 5 "Average Difference" CB 60 3.965 -0.707 3.935 19713 30 1 5 "Average Difference" HN 58 0.552 -0.096 0.548 19713 31 1 6 "Average Difference" N 58 2.464 -0.236 2.474 19713 32 1 6 "Average Difference" HA 62 0.361 -0.053 0.360 19713 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19713 34 1 6 "Average Difference" CA 61 1.038 0.287 1.006 19713 35 1 6 "Average Difference" CB 60 4.030 -0.758 3.992 19713 36 1 6 "Average Difference" HN 58 0.551 -0.125 0.541 19713 37 1 7 "Average Difference" N 58 2.435 -0.345 2.432 19713 38 1 7 "Average Difference" HA 62 0.362 -0.038 0.363 19713 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19713 40 1 7 "Average Difference" CA 61 1.021 0.214 1.007 19713 41 1 7 "Average Difference" CB 60 4.014 -0.631 3.998 19713 42 1 7 "Average Difference" HN 58 0.523 -0.106 0.517 19713 43 1 8 "Average Difference" N 58 2.527 -0.343 2.526 19713 44 1 8 "Average Difference" HA 62 0.357 -0.042 0.357 19713 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19713 46 1 8 "Average Difference" CA 61 1.020 0.265 0.993 19713 47 1 8 "Average Difference" CB 60 3.975 -0.679 3.949 19713 48 1 8 "Average Difference" HN 58 0.562 -0.095 0.559 19713 49 1 9 "Average Difference" N 58 2.337 -0.241 2.345 19713 50 1 9 "Average Difference" HA 62 0.323 -0.062 0.320 19713 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19713 52 1 9 "Average Difference" CA 61 1.056 0.229 1.040 19713 53 1 9 "Average Difference" CB 60 4.022 -0.784 3.978 19713 54 1 9 "Average Difference" HN 58 0.533 -0.148 0.517 19713 55 1 10 "Average Difference" N 58 2.548 -0.365 2.544 19713 56 1 10 "Average Difference" HA 62 0.363 -0.051 0.362 19713 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19713 58 1 10 "Average Difference" CA 61 1.101 0.252 1.080 19713 59 1 10 "Average Difference" CB 60 4.010 -0.708 3.980 19713 60 1 10 "Average Difference" HN 58 0.549 -0.107 0.543 19713 61 1 11 "Average Difference" N 58 2.356 -0.124 2.373 19713 62 1 11 "Average Difference" HA 62 0.361 -0.055 0.360 19713 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19713 64 1 11 "Average Difference" CA 61 1.038 0.277 1.009 19713 65 1 11 "Average Difference" CB 60 4.079 -0.768 4.040 19713 66 1 11 "Average Difference" HN 58 0.552 -0.135 0.540 19713 67 1 12 "Average Difference" N 58 2.512 -0.217 2.525 19713 68 1 12 "Average Difference" HA 62 0.362 -0.055 0.361 19713 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19713 70 1 12 "Average Difference" CA 61 1.050 0.241 1.030 19713 71 1 12 "Average Difference" CB 60 4.004 -0.714 3.973 19713 72 1 12 "Average Difference" HN 58 0.548 -0.117 0.540 19713 73 1 13 "Average Difference" N 58 2.308 -0.172 2.321 19713 74 1 13 "Average Difference" HA 62 0.358 -0.046 0.358 19713 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19713 76 1 13 "Average Difference" CA 61 1.075 0.237 1.057 19713 77 1 13 "Average Difference" CB 60 3.998 -0.707 3.969 19713 78 1 13 "Average Difference" HN 58 0.554 -0.123 0.545 19713 79 1 14 "Average Difference" N 58 2.401 -0.369 2.394 19713 80 1 14 "Average Difference" HA 62 0.361 -0.053 0.360 19713 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19713 82 1 14 "Average Difference" CA 61 0.971 0.306 0.929 19713 83 1 14 "Average Difference" CB 60 4.062 -0.726 4.030 19713 84 1 14 "Average Difference" HN 58 0.538 -0.118 0.529 19713 85 1 15 "Average Difference" N 58 2.380 -0.361 2.373 19713 86 1 15 "Average Difference" HA 62 0.339 -0.058 0.336 19713 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19713 88 1 15 "Average Difference" CA 61 1.054 0.282 1.024 19713 89 1 15 "Average Difference" CB 60 3.977 -0.686 3.950 19713 90 1 15 "Average Difference" HN 58 0.545 -0.117 0.537 19713 91 1 16 "Average Difference" N 58 2.497 -0.341 2.495 19713 92 1 16 "Average Difference" HA 62 0.358 -0.051 0.357 19713 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19713 94 1 16 "Average Difference" CA 61 1.113 0.221 1.100 19713 95 1 16 "Average Difference" CB 60 4.051 -0.733 4.017 19713 96 1 16 "Average Difference" HN 58 0.565 -0.134 0.554 19713 97 1 17 "Average Difference" N 58 2.323 -0.179 2.337 19713 98 1 17 "Average Difference" HA 62 0.340 -0.052 0.339 19713 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19713 100 1 17 "Average Difference" CA 61 1.076 0.293 1.043 19713 101 1 17 "Average Difference" CB 60 3.997 -0.684 3.972 19713 102 1 17 "Average Difference" HN 58 0.535 -0.100 0.531 19713 103 1 18 "Average Difference" N 58 2.278 -0.129 2.294 19713 104 1 18 "Average Difference" HA 62 0.350 -0.054 0.348 19713 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19713 106 1 18 "Average Difference" CA 61 0.978 0.283 0.944 19713 107 1 18 "Average Difference" CB 60 4.001 -0.731 3.967 19713 108 1 18 "Average Difference" HN 58 0.532 -0.132 0.520 19713 109 1 19 "Average Difference" N 58 2.365 -0.238 2.374 19713 110 1 19 "Average Difference" HA 62 0.359 -0.042 0.359 19713 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19713 112 1 19 "Average Difference" CA 61 1.058 0.259 1.034 19713 113 1 19 "Average Difference" CB 60 4.039 -0.679 4.015 19713 114 1 19 "Average Difference" HN 58 0.537 -0.103 0.532 19713 115 1 20 "Average Difference" N 58 2.416 -0.248 2.424 19713 116 1 20 "Average Difference" HA 62 0.336 -0.055 0.334 19713 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19713 118 1 20 "Average Difference" CA 61 1.065 0.265 1.040 19713 119 1 20 "Average Difference" CB 60 3.994 -0.718 3.962 19713 120 1 20 "Average Difference" HN 58 0.525 -0.104 0.519 19713 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 19713 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 123.873 123.873 125.475 -1.602 19713 2 1 . 1 1 2 2 LEU HA H 2 4.840 4.840 4.748 0.092 19713 3 1 . 1 1 2 2 LEU CA C 2 53.699 53.699 54.710 -1.011 19713 4 1 . 1 1 2 2 LEU CB C 2 46.543 46.543 43.423 3.120 19713 5 1 . 1 1 2 2 LEU H H 2 8.977 8.977 8.376 0.601 19713 6 1 . 1 1 3 3 MET N N 3 128.873 128.873 124.365 4.508 19713 7 1 . 1 1 3 3 MET HA H 3 3.402 3.402 4.420 -1.018 19713 8 1 . 1 1 3 3 MET CA C 3 55.648 55.648 55.848 -0.200 19713 9 1 . 1 1 3 3 MET CB C 3 31.068 31.068 32.795 -1.727 19713 10 1 . 1 1 3 3 MET H H 3 8.669 8.669 8.501 0.168 19713 11 1 . 1 1 4 4 ILE N N 4 127.600 127.600 123.625 3.975 19713 12 1 . 1 1 4 4 ILE HA H 4 3.923 3.923 4.053 -0.130 19713 13 1 . 1 1 4 4 ILE CA C 4 59.664 59.664 61.961 -2.297 19713 14 1 . 1 1 4 4 ILE CB C 4 37.874 37.874 37.862 0.012 19713 15 1 . 1 1 4 4 ILE H H 4 8.843 8.843 8.512 0.331 19713 16 1 . 1 1 5 5 THR N N 5 109.859 109.859 110.643 -0.784 19713 17 1 . 1 1 5 5 THR HA H 5 4.232 4.232 4.244 -0.012 19713 18 1 . 1 1 5 5 THR CA C 5 60.044 60.044 61.445 -1.401 19713 19 1 . 1 1 5 5 THR CB C 5 98.915 98.915 69.064 29.851 19713 20 1 . 1 1 5 5 THR H H 5 7.255 7.255 7.555 -0.300 19713 21 1 . 1 1 6 6 SER N N 6 116.037 116.037 116.288 -0.251 19713 22 1 . 1 1 6 6 SER HA H 6 5.353 5.353 4.616 0.737 19713 23 1 . 1 1 6 6 SER CA C 6 56.774 56.774 57.636 -0.862 19713 24 1 . 1 1 6 6 SER CB C 6 64.813 64.813 64.245 0.568 19713 25 1 . 1 1 6 6 SER H H 6 7.717 7.717 7.975 -0.258 19713 26 1 . 1 1 7 7 PHE N N 7 121.810 121.810 123.044 -1.234 19713 27 1 . 1 1 7 7 PHE HA H 7 4.911 4.911 4.644 0.267 19713 28 1 . 1 1 7 7 PHE CA C 7 56.763 56.763 56.824 -0.060 19713 29 1 . 1 1 7 7 PHE CB C 7 43.423 43.423 40.614 2.809 19713 30 1 . 1 1 7 7 PHE H H 7 8.928 8.928 8.242 0.686 19713 31 1 . 1 1 8 8 ALA HA H 8 4.595 4.595 4.503 0.091 19713 32 1 . 1 1 8 8 ALA CA C 8 53.578 53.578 51.983 1.595 19713 33 1 . 1 1 8 8 ALA CB C 8 19.050 19.050 19.175 -0.125 19713 34 1 . 1 1 9 9 ASN N N 9 116.543 116.543 117.410 -0.867 19713 35 1 . 1 1 9 9 ASN HA H 9 5.250 5.250 4.980 0.270 19713 36 1 . 1 1 9 9 ASN CA C 9 49.672 49.672 51.975 -2.303 19713 37 1 . 1 1 9 9 ASN CB C 9 39.758 39.758 40.538 -0.779 19713 38 1 . 1 1 9 9 ASN H H 9 8.133 8.133 7.947 0.186 19713 39 1 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.450 -0.112 19713 40 1 . 1 1 10 10 PRO CA C 10 64.578 64.578 65.127 -0.549 19713 41 1 . 1 1 10 10 PRO CB C 10 32.355 32.355 32.214 0.141 19713 42 1 . 1 1 11 11 ARG N N 11 118.730 118.730 119.422 -0.692 19713 43 1 . 1 1 11 11 ARG HA H 11 4.154 4.154 4.058 0.096 19713 44 1 . 1 1 11 11 ARG CA C 11 58.851 58.851 59.290 -0.439 19713 45 1 . 1 1 11 11 ARG CB C 11 29.603 29.603 29.042 0.561 19713 46 1 . 1 1 11 11 ARG H H 11 8.091 8.091 8.696 -0.605 19713 47 1 . 1 1 12 12 VAL N N 12 122.396 122.396 119.166 3.230 19713 48 1 . 1 1 12 12 VAL HA H 12 3.635 3.635 3.688 -0.053 19713 49 1 . 1 1 12 12 VAL CA C 12 65.532 65.532 65.527 0.005 19713 50 1 . 1 1 12 12 VAL CB C 12 31.762 31.762 30.984 0.777 19713 51 1 . 1 1 12 12 VAL H H 12 7.235 7.235 7.875 -0.640 19713 52 1 . 1 1 13 13 ALA N N 13 119.674 119.674 122.010 -2.336 19713 53 1 . 1 1 13 13 ALA HA H 13 3.124 3.124 3.936 -0.812 19713 54 1 . 1 1 13 13 ALA CA C 13 54.715 54.715 55.611 -0.896 19713 55 1 . 1 1 13 13 ALA CB C 13 18.757 18.757 18.006 0.751 19713 56 1 . 1 1 13 13 ALA H H 13 6.857 6.857 7.719 -0.862 19713 57 1 . 1 1 14 14 GLN N N 14 115.202 115.202 119.240 -4.038 19713 58 1 . 1 1 14 14 GLN HA H 14 3.683 3.683 4.008 -0.325 19713 59 1 . 1 1 14 14 GLN CA C 14 57.788 57.788 58.362 -0.574 19713 60 1 . 1 1 14 14 GLN CB C 14 28.407 28.407 28.232 0.175 19713 61 1 . 1 1 14 14 GLN H H 14 7.800 7.800 8.344 -0.544 19713 62 1 . 1 1 15 15 ALA N N 15 121.416 121.416 122.190 -0.774 19713 63 1 . 1 1 15 15 ALA HA H 15 4.297 4.297 4.004 0.293 19713 64 1 . 1 1 15 15 ALA CA C 15 54.990 54.990 55.062 -0.072 19713 65 1 . 1 1 15 15 ALA CB C 15 17.736 17.736 18.056 -0.320 19713 66 1 . 1 1 15 15 ALA H H 15 7.882 7.882 8.018 -0.136 19713 67 1 . 1 1 16 16 PHE N N 16 120.765 120.765 118.525 2.240 19713 68 1 . 1 1 16 16 PHE HA H 16 3.612 3.612 4.425 -0.813 19713 69 1 . 1 1 16 16 PHE CA C 16 61.141 61.141 62.667 -1.525 19713 70 1 . 1 1 16 16 PHE CB C 16 38.658 38.658 39.155 -0.497 19713 71 1 . 1 1 16 16 PHE H H 16 8.150 8.150 8.555 -0.405 19713 72 1 . 1 1 17 17 VAL N N 17 120.622 120.622 116.336 4.286 19713 73 1 . 1 1 17 17 VAL HA H 17 3.211 3.211 3.572 -0.361 19713 74 1 . 1 1 17 17 VAL CA C 17 67.635 67.635 65.955 1.680 19713 75 1 . 1 1 17 17 VAL CB C 17 31.503 31.503 31.250 0.253 19713 76 1 . 1 1 17 17 VAL H H 17 8.193 8.193 8.221 -0.028 19713 77 1 . 1 1 18 18 ASP N N 18 123.142 123.142 122.144 0.998 19713 78 1 . 1 1 18 18 ASP HA H 18 4.393 4.393 4.370 0.023 19713 79 1 . 1 1 18 18 ASP CA C 18 57.549 57.549 57.533 0.016 19713 80 1 . 1 1 18 18 ASP CB C 18 39.822 39.822 40.993 -1.171 19713 81 1 . 1 1 18 18 ASP H H 18 9.093 9.093 8.167 0.926 19713 82 1 . 1 1 19 19 TYR N N 19 122.100 122.100 118.755 3.345 19713 83 1 . 1 1 19 19 TYR HA H 19 4.389 4.389 4.317 0.072 19713 84 1 . 1 1 19 19 TYR CA C 19 60.794 60.794 60.258 0.536 19713 85 1 . 1 1 19 19 TYR CB C 19 37.987 37.987 38.033 -0.046 19713 86 1 . 1 1 19 19 TYR H H 19 8.142 8.142 8.072 0.070 19713 87 1 . 1 1 20 20 MET N N 20 119.265 119.265 117.045 2.220 19713 88 1 . 1 1 20 20 MET HA H 20 3.987 3.987 3.771 0.216 19713 89 1 . 1 1 20 20 MET CA C 20 56.147 56.147 56.901 -0.754 19713 90 1 . 1 1 20 20 MET CB C 20 28.818 28.818 32.261 -3.443 19713 91 1 . 1 1 20 20 MET H H 20 8.421 8.421 7.489 0.932 19713 92 1 . 1 1 21 21 ALA N N 21 124.076 124.076 121.849 2.226 19713 93 1 . 1 1 21 21 ALA HA H 21 4.095 4.095 4.242 -0.147 19713 94 1 . 1 1 21 21 ALA CA C 21 55.540 55.540 54.831 0.709 19713 95 1 . 1 1 21 21 ALA CB C 21 17.316 17.316 18.257 -0.941 19713 96 1 . 1 1 21 21 ALA H H 21 8.107 8.107 7.859 0.248 19713 97 1 . 1 1 22 22 THR N N 22 111.538 111.538 112.452 -0.914 19713 98 1 . 1 1 22 22 THR HA H 22 4.236 4.236 4.120 0.116 19713 99 1 . 1 1 22 22 THR CA C 22 64.631 64.631 64.653 -0.022 19713 100 1 . 1 1 22 22 THR CB C 22 69.311 69.311 68.717 0.594 19713 101 1 . 1 1 22 22 THR H H 22 7.590 7.590 7.858 -0.268 19713 102 1 . 1 1 23 23 GLN N N 23 118.055 118.055 118.369 -0.314 19713 103 1 . 1 1 23 23 GLN HA H 23 4.361 4.361 4.379 -0.018 19713 104 1 . 1 1 23 23 GLN CA C 23 53.733 53.733 55.674 -1.941 19713 105 1 . 1 1 23 23 GLN CB C 23 28.847 28.847 29.144 -0.297 19713 106 1 . 1 1 23 23 GLN H H 23 7.219 7.219 7.616 -0.397 19713 107 1 . 1 1 24 24 GLY N N 24 106.367 106.367 107.424 -1.057 19713 108 1 . 1 1 24 24 GLY CA C 24 45.484 45.484 45.086 0.398 19713 109 1 . 1 1 24 24 GLY H H 24 7.641 7.641 7.806 -0.165 19713 110 1 . 1 1 25 25 VAL N N 25 120.869 120.869 121.542 -0.673 19713 111 1 . 1 1 25 25 VAL HA H 25 4.262 4.262 4.311 -0.049 19713 112 1 . 1 1 25 25 VAL CA C 25 60.880 60.880 60.945 -0.065 19713 113 1 . 1 1 25 25 VAL CB C 25 33.830 33.830 32.718 1.112 19713 114 1 . 1 1 25 25 VAL H H 25 7.664 7.664 8.019 -0.355 19713 115 1 . 1 1 26 26 ILE N N 26 128.372 128.372 127.985 0.387 19713 116 1 . 1 1 26 26 ILE HA H 26 3.923 3.923 4.121 -0.198 19713 117 1 . 1 1 26 26 ILE CA C 26 59.995 59.995 60.264 -0.269 19713 118 1 . 1 1 26 26 ILE CB C 26 36.936 36.936 37.395 -0.459 19713 119 1 . 1 1 26 26 ILE H H 26 9.003 9.003 8.466 0.537 19713 120 1 . 1 1 27 27 LEU N N 27 130.068 130.068 126.526 3.542 19713 121 1 . 1 1 27 27 LEU HA H 27 5.214 5.214 4.710 0.504 19713 122 1 . 1 1 27 27 LEU CA C 27 53.023 53.023 53.640 -0.617 19713 123 1 . 1 1 27 27 LEU CB C 27 44.804 44.804 44.347 0.457 19713 124 1 . 1 1 27 27 LEU H H 27 8.291 8.291 8.340 -0.049 19713 125 1 . 1 1 28 28 THR N N 28 111.171 111.171 115.566 -4.395 19713 126 1 . 1 1 28 28 THR HA H 28 4.763 4.763 4.539 0.224 19713 127 1 . 1 1 28 28 THR CA C 28 60.132 60.132 61.450 -1.318 19713 128 1 . 1 1 28 28 THR CB C 28 71.760 71.760 70.470 1.290 19713 129 1 . 1 1 28 28 THR H H 28 8.948 8.948 8.224 0.724 19713 130 1 . 1 1 29 29 ILE N N 29 121.390 121.390 122.002 -0.612 19713 131 1 . 1 1 29 29 ILE HA H 29 5.310 5.310 4.422 0.888 19713 132 1 . 1 1 29 29 ILE CA C 29 59.908 59.908 60.264 -0.355 19713 133 1 . 1 1 29 29 ILE CB C 29 40.768 40.768 39.557 1.211 19713 134 1 . 1 1 29 29 ILE H H 29 8.713 8.713 8.404 0.309 19713 135 1 . 1 1 30 30 GLN N N 30 127.776 127.776 124.221 3.555 19713 136 1 . 1 1 30 30 GLN HA H 30 4.772 4.772 4.563 0.209 19713 137 1 . 1 1 30 30 GLN CA C 30 54.629 54.629 55.236 -0.607 19713 138 1 . 1 1 30 30 GLN CB C 30 31.309 31.309 29.701 1.608 19713 139 1 . 1 1 30 30 GLN H H 30 9.518 9.518 8.518 1.000 19713 140 1 . 1 1 31 31 GLN N N 31 125.893 125.893 123.224 2.669 19713 141 1 . 1 1 31 31 GLN HA H 31 5.263 5.263 4.482 0.781 19713 142 1 . 1 1 31 31 GLN CA C 31 55.010 55.010 55.552 -0.542 19713 143 1 . 1 1 31 31 GLN CB C 31 30.396 30.396 29.248 1.148 19713 144 1 . 1 1 31 31 GLN H H 31 9.029 9.029 8.650 0.379 19713 145 1 . 1 1 32 32 HIS N N 32 121.451 121.451 123.779 -2.328 19713 146 1 . 1 1 32 32 HIS HA H 32 4.966 4.966 4.471 0.495 19713 147 1 . 1 1 32 32 HIS CA C 32 54.514 54.514 56.247 -1.733 19713 148 1 . 1 1 32 32 HIS CB C 32 30.661 30.661 30.660 0.001 19713 149 1 . 1 1 32 32 HIS H H 32 8.912 8.912 8.591 0.322 19713 150 1 . 1 1 33 33 ASN N N 33 121.954 121.954 119.051 2.903 19713 151 1 . 1 1 33 33 ASN HA H 33 5.200 5.200 4.832 0.368 19713 152 1 . 1 1 33 33 ASN CA C 33 53.106 53.106 52.986 0.119 19713 153 1 . 1 1 33 33 ASN CB C 33 40.448 40.448 40.060 0.388 19713 154 1 . 1 1 33 33 ASN H H 33 8.940 8.940 8.682 0.258 19713 155 1 . 1 1 34 34 GLN N N 34 123.175 123.175 121.738 1.437 19713 156 1 . 1 1 34 34 GLN HA H 34 4.619 4.619 4.684 -0.065 19713 157 1 . 1 1 34 34 GLN CA C 34 55.582 55.582 55.494 0.088 19713 158 1 . 1 1 34 34 GLN CB C 34 32.175 32.175 30.909 1.266 19713 159 1 . 1 1 34 34 GLN H H 34 8.648 8.648 8.616 0.032 19713 160 1 . 1 1 35 35 SER N N 35 118.568 118.568 118.734 -0.166 19713 161 1 . 1 1 35 35 SER HA H 35 4.784 4.784 4.606 0.178 19713 162 1 . 1 1 35 35 SER CA C 35 57.693 57.693 58.133 -0.440 19713 163 1 . 1 1 35 35 SER CB C 35 64.218 64.218 63.827 0.391 19713 164 1 . 1 1 35 35 SER H H 35 8.744 8.744 8.445 0.299 19713 165 1 . 1 1 36 36 ASP N N 36 127.988 127.988 126.025 1.963 19713 166 1 . 1 1 36 36 ASP HA H 36 4.987 4.987 4.835 0.152 19713 167 1 . 1 1 36 36 ASP CA C 36 54.132 54.132 53.906 0.226 19713 168 1 . 1 1 36 36 ASP CB C 36 41.904 41.904 41.853 0.051 19713 169 1 . 1 1 36 36 ASP H H 36 8.909 8.909 8.535 0.374 19713 170 1 . 1 1 37 37 VAL N N 37 122.751 122.751 123.400 -0.649 19713 171 1 . 1 1 37 37 VAL HA H 37 4.977 4.977 4.415 0.562 19713 172 1 . 1 1 37 37 VAL CA C 37 61.821 61.821 61.689 0.132 19713 173 1 . 1 1 37 37 VAL CB C 37 33.099 33.099 32.090 1.009 19713 174 1 . 1 1 37 37 VAL H H 37 8.691 8.691 8.472 0.219 19713 175 1 . 1 1 38 38 TRP N N 38 128.913 128.913 127.593 1.320 19713 176 1 . 1 1 38 38 TRP HA H 38 5.082 5.082 5.033 0.049 19713 177 1 . 1 1 38 38 TRP CA C 38 56.773 56.773 55.541 1.232 19713 178 1 . 1 1 38 38 TRP CB C 38 32.208 32.208 29.522 2.686 19713 179 1 . 1 1 38 38 TRP H H 38 9.644 9.644 7.798 1.846 19713 180 1 . 1 1 39 39 LEU N N 39 122.523 122.523 121.809 0.714 19713 181 1 . 1 1 39 39 LEU HA H 39 4.851 4.851 4.665 0.186 19713 182 1 . 1 1 39 39 LEU CA C 39 53.407 53.407 55.040 -1.633 19713 183 1 . 1 1 39 39 LEU CB C 39 46.898 46.898 44.559 2.339 19713 184 1 . 1 1 39 39 LEU H H 39 9.378 9.378 8.349 1.029 19713 185 1 . 1 1 40 40 ALA N N 40 129.759 129.759 125.610 4.149 19713 186 1 . 1 1 40 40 ALA HA H 40 4.578 4.578 4.419 0.159 19713 187 1 . 1 1 40 40 ALA CA C 40 54.291 54.291 52.660 1.631 19713 188 1 . 1 1 40 40 ALA CB C 40 19.036 19.036 19.163 -0.127 19713 189 1 . 1 1 40 40 ALA H H 40 8.806 8.806 8.408 0.398 19713 190 1 . 1 1 41 41 ASP N N 41 115.611 115.611 119.587 -3.976 19713 191 1 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.646 0.179 19713 192 1 . 1 1 41 41 ASP CA C 41 52.017 52.017 53.327 -1.310 19713 193 1 . 1 1 41 41 ASP CB C 41 38.617 38.617 39.796 -1.179 19713 194 1 . 1 1 41 41 ASP H H 41 7.774 7.774 8.360 -0.586 19713 195 1 . 1 1 42 42 GLU N N 42 123.031 123.031 124.681 -1.650 19713 196 1 . 1 1 42 42 GLU HA H 42 3.634 3.634 3.938 -0.304 19713 197 1 . 1 1 42 42 GLU CA C 42 59.689 59.689 59.570 0.119 19713 198 1 . 1 1 42 42 GLU CB C 42 28.633 28.633 29.650 -1.017 19713 199 1 . 1 1 42 42 GLU H H 42 8.508 8.508 8.303 0.205 19713 200 1 . 1 1 43 43 SER N N 43 116.358 116.358 114.779 1.579 19713 201 1 . 1 1 43 43 SER HA H 43 4.373 4.373 4.158 0.215 19713 202 1 . 1 1 43 43 SER CA C 43 61.171 61.171 61.081 0.090 19713 203 1 . 1 1 43 43 SER CB C 43 62.526 62.526 62.895 -0.369 19713 204 1 . 1 1 43 43 SER H H 43 8.325 8.325 8.111 0.214 19713 205 1 . 1 1 44 44 GLN N N 44 118.846 118.846 118.945 -0.099 19713 206 1 . 1 1 44 44 GLN HA H 44 4.662 4.662 4.377 0.285 19713 207 1 . 1 1 44 44 GLN CA C 44 54.473 54.473 56.343 -1.870 19713 208 1 . 1 1 44 44 GLN CB C 44 28.135 28.135 28.470 -0.335 19713 209 1 . 1 1 44 44 GLN H H 44 7.741 7.741 8.003 -0.262 19713 210 1 . 1 1 45 45 ALA N N 45 122.785 122.785 123.045 -0.260 19713 211 1 . 1 1 45 45 ALA HA H 45 3.550 3.550 3.982 -0.432 19713 212 1 . 1 1 45 45 ALA CA C 45 56.963 56.963 55.276 1.687 19713 213 1 . 1 1 45 45 ALA CB C 45 18.797 18.797 18.176 0.621 19713 214 1 . 1 1 45 45 ALA H H 45 7.567 7.567 7.878 -0.311 19713 215 1 . 1 1 46 46 GLU N N 46 116.794 116.794 118.038 -1.244 19713 216 1 . 1 1 46 46 GLU HA H 46 4.032 4.032 3.987 0.045 19713 217 1 . 1 1 46 46 GLU CA C 46 59.820 59.820 59.578 0.242 19713 218 1 . 1 1 46 46 GLU CB C 46 28.688 28.688 29.250 -0.562 19713 219 1 . 1 1 46 46 GLU H H 46 8.686 8.686 7.989 0.697 19713 220 1 . 1 1 47 47 ARG N N 47 122.101 122.101 120.447 1.654 19713 221 1 . 1 1 47 47 ARG HA H 47 4.245 4.245 4.061 0.184 19713 222 1 . 1 1 47 47 ARG CA C 47 58.813 58.813 59.050 -0.237 19713 223 1 . 1 1 47 47 ARG CB C 47 30.066 30.066 29.885 0.181 19713 224 1 . 1 1 47 47 ARG H H 47 8.042 8.042 8.042 0.000 19713 225 1 . 1 1 48 48 VAL N N 48 118.395 118.395 116.696 1.699 19713 226 1 . 1 1 48 48 VAL HA H 48 3.650 3.650 3.682 -0.032 19713 227 1 . 1 1 48 48 VAL CA C 48 66.962 66.962 65.888 1.074 19713 228 1 . 1 1 48 48 VAL CB C 48 31.254 31.254 30.979 0.275 19713 229 1 . 1 1 48 48 VAL H H 48 8.466 8.466 8.217 0.249 19713 230 1 . 1 1 49 49 ARG N N 49 119.126 119.126 120.727 -1.601 19713 231 1 . 1 1 49 49 ARG HA H 49 3.871 3.871 3.930 -0.059 19713 232 1 . 1 1 49 49 ARG CA C 49 60.756 60.756 59.820 0.936 19713 233 1 . 1 1 49 49 ARG CB C 49 29.559 29.559 29.881 -0.322 19713 234 1 . 1 1 49 49 ARG H H 49 8.604 8.604 7.883 0.721 19713 235 1 . 1 1 50 50 ALA N N 50 123.287 123.287 121.883 1.404 19713 236 1 . 1 1 50 50 ALA HA H 50 4.274 4.274 4.081 0.193 19713 237 1 . 1 1 50 50 ALA CA C 50 55.122 55.122 55.216 -0.094 19713 238 1 . 1 1 50 50 ALA CB C 50 18.008 18.008 18.040 -0.032 19713 239 1 . 1 1 50 50 ALA H H 50 8.081 8.081 8.042 0.039 19713 240 1 . 1 1 51 51 GLU N N 51 118.576 118.576 118.595 -0.019 19713 241 1 . 1 1 51 51 GLU HA H 51 4.449 4.449 3.997 0.452 19713 242 1 . 1 1 51 51 GLU CA C 51 58.341 58.341 58.723 -0.382 19713 243 1 . 1 1 51 51 GLU CB C 51 30.118 30.118 29.141 0.977 19713 244 1 . 1 1 51 51 GLU H H 51 8.386 8.386 7.920 0.466 19713 245 1 . 1 1 52 52 LEU N N 52 122.397 122.397 120.595 1.802 19713 246 1 . 1 1 52 52 LEU HA H 52 3.938 3.938 4.003 -0.065 19713 247 1 . 1 1 52 52 LEU CA C 52 57.745 57.745 58.276 -0.531 19713 248 1 . 1 1 52 52 LEU CB C 52 41.243 41.243 41.732 -0.489 19713 249 1 . 1 1 52 52 LEU H H 52 8.976 8.976 8.433 0.544 19713 250 1 . 1 1 53 53 ALA N N 53 119.025 119.025 120.760 -1.735 19713 251 1 . 1 1 53 53 ALA HA H 53 4.054 4.054 3.967 0.086 19713 252 1 . 1 1 53 53 ALA CA C 53 55.094 55.094 55.173 -0.079 19713 253 1 . 1 1 53 53 ALA CB C 53 17.597 17.597 18.140 -0.543 19713 254 1 . 1 1 53 53 ALA H H 53 7.418 7.418 8.079 -0.661 19713 255 1 . 1 1 54 54 ARG N N 54 116.311 116.311 117.387 -1.076 19713 256 1 . 1 1 54 54 ARG HA H 54 4.136 4.136 4.260 -0.124 19713 257 1 . 1 1 54 54 ARG CA C 54 58.686 58.686 58.416 0.270 19713 258 1 . 1 1 54 54 ARG CB C 54 30.440 30.440 30.346 0.094 19713 259 1 . 1 1 54 54 ARG H H 54 7.316 7.316 7.836 -0.520 19713 260 1 . 1 1 55 55 PHE N N 55 122.048 122.048 120.640 1.408 19713 261 1 . 1 1 55 55 PHE HA H 55 4.033 4.033 4.424 -0.391 19713 262 1 . 1 1 55 55 PHE CA C 55 60.786 60.786 59.889 0.896 19713 263 1 . 1 1 55 55 PHE CB C 55 40.056 40.056 39.739 0.317 19713 264 1 . 1 1 55 55 PHE H H 55 8.729 8.729 7.973 0.756 19713 265 1 . 1 1 56 56 LEU N N 56 116.538 116.538 120.672 -4.134 19713 266 1 . 1 1 56 56 LEU HA H 56 4.043 4.043 3.981 0.062 19713 267 1 . 1 1 56 56 LEU CA C 56 55.717 55.717 57.745 -2.028 19713 268 1 . 1 1 56 56 LEU CB C 56 42.035 42.035 41.856 0.179 19713 269 1 . 1 1 56 56 LEU H H 56 8.133 8.133 8.750 -0.617 19713 270 1 . 1 1 57 57 GLU N N 57 118.454 118.454 116.772 1.682 19713 271 1 . 1 1 57 57 GLU HA H 57 4.104 4.104 4.180 -0.076 19713 272 1 . 1 1 57 57 GLU CA C 57 57.554 57.554 56.826 0.728 19713 273 1 . 1 1 57 57 GLU CB C 57 30.026 30.026 29.713 0.313 19713 274 1 . 1 1 57 57 GLU H H 57 7.479 7.479 7.914 -0.435 19713 275 1 . 1 1 58 58 ASN N N 58 116.134 116.134 119.790 -3.656 19713 276 1 . 1 1 58 58 ASN HA H 58 4.906 4.906 5.013 -0.107 19713 277 1 . 1 1 58 58 ASN CA C 58 51.164 51.164 50.237 0.927 19713 278 1 . 1 1 58 58 ASN CB C 58 38.811 38.811 38.519 0.293 19713 279 1 . 1 1 58 58 ASN H H 58 7.722 7.722 7.825 -0.103 19713 280 1 . 1 1 59 59 PRO HA H 59 4.090 4.090 4.353 -0.263 19713 281 1 . 1 1 59 59 PRO CA C 59 63.883 63.883 63.346 0.537 19713 282 1 . 1 1 59 59 PRO CB C 59 31.856 31.856 30.538 1.318 19713 283 1 . 1 1 60 60 ALA N N 60 123.290 123.290 127.192 -3.902 19713 284 1 . 1 1 60 60 ALA HA H 60 4.196 4.196 4.342 -0.146 19713 285 1 . 1 1 60 60 ALA CA C 60 52.877 52.877 52.815 0.062 19713 286 1 . 1 1 60 60 ALA CB C 60 18.898 18.898 20.212 -1.314 19713 287 1 . 1 1 60 60 ALA H H 60 7.995 7.995 8.019 -0.024 19713 288 1 . 1 1 61 61 ASP N N 61 118.409 118.409 119.526 -1.117 19713 289 1 . 1 1 61 61 ASP HA H 61 4.575 4.575 4.561 0.014 19713 290 1 . 1 1 61 61 ASP CA C 61 54.274 54.274 56.026 -1.752 19713 291 1 . 1 1 61 61 ASP CB C 61 40.887 40.887 41.807 -0.920 19713 292 1 . 1 1 61 61 ASP H H 61 7.985 7.985 8.122 -0.137 19713 293 1 . 1 1 62 62 LEU N N 62 121.754 121.754 118.493 3.261 19713 294 1 . 1 1 62 62 LEU HA H 62 4.170 4.170 4.220 -0.050 19713 295 1 . 1 1 62 62 LEU CA C 62 55.673 55.673 56.712 -1.039 19713 296 1 . 1 1 62 62 LEU CB C 62 41.992 41.992 41.283 0.710 19713 297 1 . 1 1 62 62 LEU H H 62 7.921 7.921 8.188 -0.267 19713 stop_ save_