data_18262 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18262 _Entry.PDB_ID 2LPJ 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 18262 _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 3 3 GLY CA C 3 45.270 45.270 44.852 0.418 18262 2 1 1 . 1 1 4 4 ASN N N 4 124.122 124.122 124.025 0.097 18262 3 1 1 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.134 1.693 18262 4 1 1 . 1 1 4 4 ASN H H 4 7.979 7.979 8.827 -0.848 18262 5 1 1 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.283 0.409 18262 6 1 1 . 1 1 6 6 HIS CA C 6 56.068 56.068 57.150 -1.082 18262 7 1 1 . 1 1 6 6 HIS CB C 6 31.102 31.102 29.424 1.678 18262 8 1 1 . 1 1 7 7 THR N N 7 115.462 115.462 114.895 0.567 18262 9 1 1 . 1 1 7 7 THR HA H 7 4.312 4.312 4.101 0.211 18262 10 1 1 . 1 1 7 7 THR CA C 7 62.316 62.316 63.633 -1.317 18262 11 1 1 . 1 1 7 7 THR CB C 7 69.849 69.849 68.719 1.129 18262 12 1 1 . 1 1 7 7 THR H H 7 8.132 8.132 7.967 0.165 18262 13 1 1 . 1 1 8 8 THR N N 8 115.752 115.752 120.829 -5.077 18262 14 1 1 . 1 1 8 8 THR HA H 8 4.164 4.164 4.110 0.054 18262 15 1 1 . 1 1 8 8 THR CA C 8 58.419 58.419 58.788 -0.369 18262 16 1 1 . 1 1 8 8 THR CB C 8 69.385 69.385 69.397 -0.012 18262 17 1 1 . 1 1 8 8 THR H H 8 7.981 7.981 7.749 0.232 18262 18 1 1 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.123 -0.171 18262 19 1 1 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.793 -0.758 18262 20 1 1 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.392 0.267 18262 21 1 1 . 1 1 10 10 TRP N N 10 111.703 111.703 115.018 -3.315 18262 22 1 1 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.684 0.212 18262 23 1 1 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.227 -1.758 18262 24 1 1 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.464 2.782 18262 25 1 1 . 1 1 10 10 TRP H H 10 6.710 6.710 7.165 -0.455 18262 26 1 1 . 1 1 11 11 THR N N 11 106.459 106.459 112.693 -6.234 18262 27 1 1 . 1 1 11 11 THR HA H 11 3.893 3.893 3.985 -0.092 18262 28 1 1 . 1 1 11 11 THR CA C 11 64.050 64.050 64.735 -0.685 18262 29 1 1 . 1 1 11 11 THR CB C 11 69.312 69.312 68.740 0.571 18262 30 1 1 . 1 1 11 11 THR H H 11 7.197 7.197 7.575 -0.378 18262 31 1 1 . 1 1 12 12 ASN N N 12 116.465 116.465 118.282 -1.817 18262 32 1 1 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.053 0.055 18262 33 1 1 . 1 1 12 12 ASN CA C 12 51.325 51.325 51.099 0.226 18262 34 1 1 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.649 -0.020 18262 35 1 1 . 1 1 12 12 ASN H H 12 7.285 7.285 7.593 -0.308 18262 36 1 1 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.373 -0.174 18262 37 1 1 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.973 -0.462 18262 38 1 1 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.124 0.428 18262 39 1 1 . 1 1 14 14 GLY N N 14 109.155 109.155 107.009 2.146 18262 40 1 1 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.395 0.759 18262 41 1 1 . 1 1 14 14 GLY H H 14 8.364 8.364 8.400 -0.036 18262 42 1 1 . 1 1 15 15 LEU N N 15 124.654 124.654 123.435 1.219 18262 43 1 1 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.197 0.140 18262 44 1 1 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.822 0.725 18262 45 1 1 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.599 0.071 18262 46 1 1 . 1 1 15 15 LEU H H 15 7.910 7.910 7.816 0.094 18262 47 1 1 . 1 1 16 16 ALA N N 16 121.271 121.271 122.014 -0.743 18262 48 1 1 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.143 -0.139 18262 49 1 1 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.520 0.910 18262 50 1 1 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.202 1.251 18262 51 1 1 . 1 1 16 16 ALA H H 16 8.440 8.440 8.642 -0.202 18262 52 1 1 . 1 1 17 17 GLU N N 17 117.125 117.125 119.856 -2.731 18262 53 1 1 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.968 -0.007 18262 54 1 1 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.951 -0.338 18262 55 1 1 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.471 0.531 18262 56 1 1 . 1 1 17 17 GLU H H 17 7.971 7.971 7.846 0.125 18262 57 1 1 . 1 1 18 18 ASN N N 18 118.526 118.526 118.085 0.441 18262 58 1 1 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.486 0.057 18262 59 1 1 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.943 -0.647 18262 60 1 1 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.657 -0.335 18262 61 1 1 . 1 1 18 18 ASN H H 18 8.071 8.071 8.092 -0.021 18262 62 1 1 . 1 1 19 19 PHE N N 19 122.197 122.197 122.060 0.137 18262 63 1 1 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.211 -0.336 18262 64 1 1 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.928 0.372 18262 65 1 1 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.038 0.461 18262 66 1 1 . 1 1 19 19 PHE H H 19 9.658 9.658 8.744 0.914 18262 67 1 1 . 1 1 20 20 MET N N 20 118.488 118.488 117.723 0.765 18262 68 1 1 . 1 1 20 20 MET HA H 20 4.432 4.432 3.679 0.753 18262 69 1 1 . 1 1 20 20 MET CA C 20 57.732 57.732 59.564 -1.832 18262 70 1 1 . 1 1 20 20 MET CB C 20 31.999 31.999 32.281 -0.282 18262 71 1 1 . 1 1 20 20 MET H H 20 8.874 8.874 8.800 0.074 18262 72 1 1 . 1 1 21 21 ASN N N 21 118.434 118.434 119.376 -0.942 18262 73 1 1 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.427 0.112 18262 74 1 1 . 1 1 21 21 ASN CA C 21 56.268 56.268 57.136 -0.868 18262 75 1 1 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.856 -0.870 18262 76 1 1 . 1 1 21 21 ASN H H 21 8.468 8.468 8.643 -0.175 18262 77 1 1 . 1 1 22 22 SER N N 22 116.181 116.181 115.916 0.265 18262 78 1 1 . 1 1 22 22 SER HA H 22 4.193 4.193 4.155 0.038 18262 79 1 1 . 1 1 22 22 SER CA C 22 62.195 62.195 61.903 0.292 18262 80 1 1 . 1 1 22 22 SER CB C 22 62.997 62.997 63.067 -0.070 18262 81 1 1 . 1 1 22 22 SER H H 22 7.936 7.936 7.991 -0.055 18262 82 1 1 . 1 1 23 23 PHE N N 23 125.045 125.045 124.152 0.893 18262 83 1 1 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.106 -0.092 18262 84 1 1 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.253 -0.790 18262 85 1 1 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.809 0.160 18262 86 1 1 . 1 1 23 23 PHE H H 23 9.054 9.054 8.066 0.988 18262 87 1 1 . 1 1 24 24 MET N N 24 117.336 117.336 116.821 0.515 18262 88 1 1 . 1 1 24 24 MET HA H 24 4.029 4.029 3.752 0.277 18262 89 1 1 . 1 1 24 24 MET CA C 24 56.117 56.117 57.753 -1.636 18262 90 1 1 . 1 1 24 24 MET CB C 24 30.378 30.378 31.634 -1.256 18262 91 1 1 . 1 1 24 24 MET H H 24 8.314 8.314 8.418 -0.104 18262 92 1 1 . 1 1 25 25 GLN N N 25 120.286 120.286 118.714 1.572 18262 93 1 1 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.057 -0.075 18262 94 1 1 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.687 0.519 18262 95 1 1 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.276 0.028 18262 96 1 1 . 1 1 25 25 GLN H H 25 8.044 8.044 8.381 -0.337 18262 97 1 1 . 1 1 26 26 GLY N N 26 107.817 107.817 107.333 0.484 18262 98 1 1 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.374 0.644 18262 99 1 1 . 1 1 26 26 GLY H H 26 8.101 8.101 8.171 -0.070 18262 100 1 1 . 1 1 27 27 LEU N N 27 122.926 122.926 122.527 0.399 18262 101 1 1 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.981 -0.195 18262 102 1 1 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.611 0.783 18262 103 1 1 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.138 0.970 18262 104 1 1 . 1 1 27 27 LEU H H 27 8.391 8.391 8.185 0.206 18262 105 1 1 . 1 1 28 28 SER N N 28 109.497 109.497 113.235 -3.738 18262 106 1 1 . 1 1 28 28 SER HA H 28 4.150 4.150 4.165 -0.015 18262 107 1 1 . 1 1 28 28 SER CA C 28 61.223 61.223 60.605 0.618 18262 108 1 1 . 1 1 28 28 SER CB C 28 63.390 63.390 62.798 0.592 18262 109 1 1 . 1 1 28 28 SER H H 28 7.519 7.519 7.619 -0.100 18262 110 1 1 . 1 1 29 29 SER N N 29 114.590 114.590 115.165 -0.575 18262 111 1 1 . 1 1 29 29 SER HA H 29 4.739 4.739 4.480 0.259 18262 112 1 1 . 1 1 29 29 SER CA C 29 58.035 58.035 59.002 -0.967 18262 113 1 1 . 1 1 29 29 SER CB C 29 64.626 64.626 63.808 0.818 18262 114 1 1 . 1 1 29 29 SER H H 29 7.451 7.451 7.605 -0.154 18262 115 1 1 . 1 1 30 30 MET N N 30 122.408 122.408 121.946 0.462 18262 116 1 1 . 1 1 30 30 MET HA H 30 4.946 4.946 4.839 0.107 18262 117 1 1 . 1 1 30 30 MET CA C 30 53.633 53.633 53.446 0.187 18262 118 1 1 . 1 1 30 30 MET CB C 30 32.300 32.300 32.381 -0.081 18262 119 1 1 . 1 1 30 30 MET H H 30 7.659 7.659 7.530 0.129 18262 120 1 1 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.475 0.193 18262 121 1 1 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.079 -0.129 18262 122 1 1 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.632 0.180 18262 123 1 1 . 1 1 32 32 GLY N N 32 106.245 106.245 105.926 0.319 18262 124 1 1 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.218 0.573 18262 125 1 1 . 1 1 32 32 GLY H H 32 8.407 8.407 8.527 -0.120 18262 126 1 1 . 1 1 33 33 PHE N N 33 116.330 116.330 121.607 -5.277 18262 127 1 1 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.765 0.392 18262 128 1 1 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.792 -0.859 18262 129 1 1 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.611 1.501 18262 130 1 1 . 1 1 33 33 PHE H H 33 7.865 7.865 7.184 0.681 18262 131 1 1 . 1 1 34 34 THR N N 34 113.680 113.680 115.051 -1.371 18262 132 1 1 . 1 1 34 34 THR HA H 34 4.544 4.544 4.623 -0.079 18262 133 1 1 . 1 1 34 34 THR CA C 34 60.409 60.409 60.224 0.185 18262 134 1 1 . 1 1 34 34 THR CB C 34 70.714 70.714 71.147 -0.433 18262 135 1 1 . 1 1 34 34 THR H H 34 8.895 8.895 8.260 0.635 18262 136 1 1 . 1 1 35 35 ALA N N 35 123.074 123.074 127.581 -4.507 18262 137 1 1 . 1 1 35 35 ALA HA H 35 4.085 4.085 3.999 0.086 18262 138 1 1 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.074 0.823 18262 139 1 1 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.372 -0.204 18262 140 1 1 . 1 1 35 35 ALA H H 35 8.880 8.880 8.792 0.088 18262 141 1 1 . 1 1 36 36 SER N N 36 112.915 112.915 113.728 -0.813 18262 142 1 1 . 1 1 36 36 SER HA H 36 4.273 4.273 4.069 0.204 18262 143 1 1 . 1 1 36 36 SER CA C 36 61.473 61.473 61.305 0.168 18262 144 1 1 . 1 1 36 36 SER CB C 36 62.441 62.441 62.921 -0.480 18262 145 1 1 . 1 1 36 36 SER H H 36 8.413 8.413 8.307 0.106 18262 146 1 1 . 1 1 37 37 GLN N N 37 121.627 121.627 120.748 0.879 18262 147 1 1 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.261 0.015 18262 148 1 1 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.403 0.305 18262 149 1 1 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.764 0.429 18262 150 1 1 . 1 1 37 37 GLN H H 37 7.639 7.639 7.944 -0.305 18262 151 1 1 . 1 1 38 38 LEU N N 38 119.757 119.757 121.059 -1.302 18262 152 1 1 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.943 -0.116 18262 153 1 1 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.110 0.889 18262 154 1 1 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.619 0.407 18262 155 1 1 . 1 1 38 38 LEU H H 38 8.351 8.351 7.874 0.477 18262 156 1 1 . 1 1 39 39 ASP N N 39 122.097 122.097 119.424 2.673 18262 157 1 1 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.273 0.163 18262 158 1 1 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.051 -0.271 18262 159 1 1 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.956 -0.584 18262 160 1 1 . 1 1 39 39 ASP H H 39 7.962 7.962 8.298 -0.336 18262 161 1 1 . 1 1 40 40 ASP N N 40 122.033 122.033 118.709 3.324 18262 162 1 1 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.539 -0.049 18262 163 1 1 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.447 1.443 18262 164 1 1 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.219 -0.959 18262 165 1 1 . 1 1 40 40 ASP H H 40 8.052 8.052 7.471 0.581 18262 166 1 1 . 1 1 41 41 MET N N 41 121.130 121.130 119.534 1.596 18262 167 1 1 . 1 1 41 41 MET HA H 41 4.191 4.191 4.143 0.048 18262 168 1 1 . 1 1 41 41 MET CA C 41 57.798 57.798 59.411 -1.613 18262 169 1 1 . 1 1 41 41 MET CB C 41 31.529 31.529 32.528 -0.999 18262 170 1 1 . 1 1 41 41 MET H H 41 8.708 8.708 8.175 0.533 18262 171 1 1 . 1 1 42 42 SER N N 42 116.303 116.303 115.535 0.768 18262 172 1 1 . 1 1 42 42 SER HA H 42 4.301 4.301 4.138 0.163 18262 173 1 1 . 1 1 42 42 SER CA C 42 62.145 62.145 62.504 -0.359 18262 174 1 1 . 1 1 42 42 SER CB C 42 62.835 62.835 62.930 -0.095 18262 175 1 1 . 1 1 42 42 SER H H 42 8.364 8.364 8.538 -0.174 18262 176 1 1 . 1 1 43 43 THR N N 43 119.136 119.136 119.494 -0.358 18262 177 1 1 . 1 1 43 43 THR HA H 43 4.051 4.051 4.062 -0.011 18262 178 1 1 . 1 1 43 43 THR CA C 43 66.673 66.673 66.766 -0.093 18262 179 1 1 . 1 1 43 43 THR CB C 43 68.635 68.635 68.754 -0.119 18262 180 1 1 . 1 1 43 43 THR H H 43 7.944 7.944 7.403 0.541 18262 181 1 1 . 1 1 44 44 ILE N N 44 122.789 122.789 122.019 0.770 18262 182 1 1 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.645 0.303 18262 183 1 1 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.466 -0.819 18262 184 1 1 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.416 0.631 18262 185 1 1 . 1 1 44 44 ILE H H 44 7.856 7.856 8.241 -0.385 18262 186 1 1 . 1 1 45 45 ALA N N 45 124.903 124.903 122.788 2.115 18262 187 1 1 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.143 -0.009 18262 188 1 1 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.136 0.942 18262 189 1 1 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.584 0.395 18262 190 1 1 . 1 1 45 45 ALA H H 45 8.868 8.868 8.523 0.345 18262 191 1 1 . 1 1 46 46 GLN N N 46 116.435 116.435 118.061 -1.626 18262 192 1 1 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.011 0.053 18262 193 1 1 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.652 0.321 18262 194 1 1 . 1 1 46 46 GLN CB C 46 28.320 28.320 27.994 0.327 18262 195 1 1 . 1 1 46 46 GLN H H 46 8.253 8.253 8.427 -0.174 18262 196 1 1 . 1 1 47 47 SER N N 47 116.211 116.211 116.802 -0.591 18262 197 1 1 . 1 1 47 47 SER HA H 47 4.249 4.249 4.219 0.030 18262 198 1 1 . 1 1 47 47 SER CA C 47 61.766 61.766 61.063 0.702 18262 199 1 1 . 1 1 47 47 SER CB C 47 62.874 62.874 63.156 -0.282 18262 200 1 1 . 1 1 47 47 SER H H 47 8.242 8.242 8.243 -0.001 18262 201 1 1 . 1 1 48 48 MET N N 48 122.179 122.179 121.680 0.499 18262 202 1 1 . 1 1 48 48 MET HA H 48 4.109 4.109 4.080 0.029 18262 203 1 1 . 1 1 48 48 MET CA C 48 57.695 57.695 57.831 -0.136 18262 204 1 1 . 1 1 48 48 MET CB C 48 31.370 31.370 31.703 -0.332 18262 205 1 1 . 1 1 48 48 MET H H 48 8.198 8.198 8.249 -0.051 18262 206 1 1 . 1 1 49 49 VAL N N 49 118.918 118.918 119.496 -0.578 18262 207 1 1 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.641 -0.362 18262 208 1 1 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.949 0.988 18262 209 1 1 . 1 1 49 49 VAL CB C 49 31.553 31.553 30.668 0.885 18262 210 1 1 . 1 1 49 49 VAL H H 49 7.791 7.791 8.298 -0.507 18262 211 1 1 . 1 1 50 50 GLN N N 50 118.407 118.407 119.183 -0.776 18262 212 1 1 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.950 0.142 18262 213 1 1 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.281 -0.155 18262 214 1 1 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.354 -0.151 18262 215 1 1 . 1 1 50 50 GLN H H 50 8.206 8.206 8.128 0.078 18262 216 1 1 . 1 1 51 51 SER N N 51 117.680 117.680 117.254 0.426 18262 217 1 1 . 1 1 51 51 SER HA H 51 4.209 4.209 4.140 0.069 18262 218 1 1 . 1 1 51 51 SER CA C 51 62.766 62.766 62.657 0.109 18262 219 1 1 . 1 1 51 51 SER CB C 51 63.014 63.014 62.788 0.226 18262 220 1 1 . 1 1 51 51 SER H H 51 8.394 8.394 8.268 0.126 18262 221 1 1 . 1 1 52 52 ILE N N 52 123.233 123.233 122.129 1.104 18262 222 1 1 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.655 -0.092 18262 223 1 1 . 1 1 52 52 ILE CA C 52 64.881 64.881 65.206 -0.325 18262 224 1 1 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.358 0.513 18262 225 1 1 . 1 1 52 52 ILE H H 52 8.135 8.135 8.053 0.082 18262 226 1 1 . 1 1 53 53 GLN N N 53 119.911 119.911 119.833 0.078 18262 227 1 1 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.953 -0.028 18262 228 1 1 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.116 0.455 18262 229 1 1 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.053 -0.120 18262 230 1 1 . 1 1 53 53 GLN H H 53 8.600 8.600 8.422 0.178 18262 231 1 1 . 1 1 54 54 SER N N 54 115.414 115.414 114.972 0.442 18262 232 1 1 . 1 1 54 54 SER HA H 54 4.308 4.308 4.228 0.080 18262 233 1 1 . 1 1 54 54 SER CA C 54 61.468 61.468 61.286 0.182 18262 234 1 1 . 1 1 54 54 SER CB C 54 62.950 62.950 63.035 -0.085 18262 235 1 1 . 1 1 54 54 SER H H 54 8.304 8.304 7.975 0.329 18262 236 1 1 . 1 1 55 55 LEU N N 55 121.576 121.576 122.739 -1.163 18262 237 1 1 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.012 0.053 18262 238 1 1 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.815 -0.102 18262 239 1 1 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.903 0.450 18262 240 1 1 . 1 1 55 55 LEU H H 55 7.881 7.881 7.950 -0.069 18262 241 1 1 . 1 1 56 56 ALA N N 56 121.244 121.244 119.425 1.819 18262 242 1 1 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.147 0.085 18262 243 1 1 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.915 0.486 18262 244 1 1 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.686 -0.424 18262 245 1 1 . 1 1 56 56 ALA H H 56 8.007 8.007 8.098 -0.091 18262 246 1 1 . 1 1 57 57 ALA N N 57 121.370 121.370 122.108 -0.738 18262 247 1 1 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.085 0.128 18262 248 1 1 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.473 0.043 18262 249 1 1 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.201 -0.661 18262 250 1 1 . 1 1 57 57 ALA H H 57 8.026 8.026 7.605 0.421 18262 251 1 1 . 1 1 58 58 GLN N N 58 114.464 114.464 116.554 -2.090 18262 252 1 1 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.469 -0.125 18262 253 1 1 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.455 0.573 18262 254 1 1 . 1 1 58 58 GLN CB C 58 29.687 29.687 28.954 0.733 18262 255 1 1 . 1 1 58 58 GLN H H 58 7.759 7.759 7.943 -0.184 18262 256 1 1 . 1 1 59 59 GLY N N 59 108.318 108.318 108.858 -0.540 18262 257 1 1 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.374 0.762 18262 258 1 1 . 1 1 59 59 GLY H H 59 7.905 7.905 7.609 0.296 18262 259 1 1 . 1 1 60 60 ARG N N 60 118.325 118.325 119.733 -1.408 18262 260 1 1 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.552 -0.026 18262 261 1 1 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.079 0.649 18262 262 1 1 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.077 0.613 18262 263 1 1 . 1 1 60 60 ARG H H 60 8.097 8.097 8.011 0.086 18262 264 1 1 . 1 1 61 61 THR N N 61 116.640 116.640 116.229 0.411 18262 265 1 1 . 1 1 61 61 THR HA H 61 4.782 4.782 4.696 0.086 18262 266 1 1 . 1 1 61 61 THR CA C 61 63.339 63.339 61.303 2.036 18262 267 1 1 . 1 1 61 61 THR CB C 61 68.819 68.819 69.725 -0.906 18262 268 1 1 . 1 1 61 61 THR H H 61 8.038 8.038 8.284 -0.246 18262 269 1 1 . 1 1 62 62 SER N N 62 119.882 119.882 122.865 -2.983 18262 270 1 1 . 1 1 62 62 SER HA H 62 4.899 4.899 4.935 -0.036 18262 271 1 1 . 1 1 62 62 SER CA C 62 56.263 56.263 55.536 0.727 18262 272 1 1 . 1 1 62 62 SER CB C 62 63.827 63.827 63.474 0.353 18262 273 1 1 . 1 1 62 62 SER H H 62 7.792 7.792 8.536 -0.744 18262 274 1 1 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.262 0.037 18262 275 1 1 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.221 0.595 18262 276 1 1 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.770 0.447 18262 277 1 1 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.557 -0.010 18262 278 1 1 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.221 0.973 18262 279 1 1 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.484 0.586 18262 280 1 1 . 1 1 65 65 LYS N N 65 121.063 121.063 118.798 2.265 18262 281 1 1 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.209 -0.027 18262 282 1 1 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.162 0.390 18262 283 1 1 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.499 0.208 18262 284 1 1 . 1 1 65 65 LYS H H 65 7.762 7.762 7.847 -0.085 18262 285 1 1 . 1 1 66 66 LEU N N 66 119.082 119.082 119.639 -0.557 18262 286 1 1 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.322 -0.259 18262 287 1 1 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.892 0.105 18262 288 1 1 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.947 0.514 18262 289 1 1 . 1 1 66 66 LEU H H 66 7.934 7.934 7.444 0.490 18262 290 1 1 . 1 1 67 67 GLN N N 67 119.220 119.220 115.266 3.954 18262 291 1 1 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.518 -0.311 18262 292 1 1 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.866 2.221 18262 293 1 1 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.022 0.193 18262 294 1 1 . 1 1 67 67 GLN H H 67 8.201 8.201 7.764 0.437 18262 295 1 1 . 1 1 68 68 ALA N N 68 121.749 121.749 121.466 0.283 18262 296 1 1 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.398 -0.219 18262 297 1 1 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.006 1.269 18262 298 1 1 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.235 -2.131 18262 299 1 1 . 1 1 68 68 ALA H H 68 7.739 7.739 7.794 -0.055 18262 300 1 1 . 1 1 69 69 LEU N N 69 120.591 120.591 119.649 0.942 18262 301 1 1 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.899 0.096 18262 302 1 1 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.694 0.279 18262 303 1 1 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.249 0.089 18262 304 1 1 . 1 1 69 69 LEU H H 69 7.888 7.888 8.724 -0.836 18262 305 1 1 . 1 1 70 70 ASN N N 70 119.586 119.586 118.225 1.361 18262 306 1 1 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.165 -0.634 18262 307 1 1 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.374 0.646 18262 308 1 1 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.231 0.617 18262 309 1 1 . 1 1 70 70 ASN H H 70 8.356 8.356 8.220 0.136 18262 310 1 1 . 1 1 71 71 MET N N 71 117.354 117.354 115.874 1.480 18262 311 1 1 . 1 1 71 71 MET HA H 71 4.271 4.271 4.808 -0.537 18262 312 1 1 . 1 1 71 71 MET CA C 71 59.088 59.088 57.465 1.623 18262 313 1 1 . 1 1 71 71 MET CB C 71 32.746 32.746 32.945 -0.199 18262 314 1 1 . 1 1 71 71 MET H H 71 8.207 8.207 7.530 0.677 18262 315 1 1 . 1 1 72 72 ALA N N 72 123.354 123.354 124.732 -1.378 18262 316 1 1 . 1 1 72 72 ALA HA H 72 4.074 4.074 4.053 0.021 18262 317 1 1 . 1 1 72 72 ALA CA C 72 55.127 55.127 54.741 0.386 18262 318 1 1 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.559 -0.402 18262 319 1 1 . 1 1 72 72 ALA H H 72 8.075 8.075 7.717 0.358 18262 320 1 1 . 1 1 73 73 PHE N N 73 120.968 120.968 117.452 3.516 18262 321 1 1 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.643 -0.125 18262 322 1 1 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.531 0.901 18262 323 1 1 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.956 1.641 18262 324 1 1 . 1 1 73 73 PHE H H 73 8.546 8.546 8.026 0.520 18262 325 1 1 . 1 1 74 74 ALA N N 74 119.865 119.865 121.975 -2.110 18262 326 1 1 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.647 0.094 18262 327 1 1 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.715 0.679 18262 328 1 1 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.518 2.891 18262 329 1 1 . 1 1 74 74 ALA H H 74 8.593 8.593 7.685 0.908 18262 330 1 1 . 1 1 75 75 SER N N 75 112.870 112.870 114.032 -1.162 18262 331 1 1 . 1 1 75 75 SER HA H 75 3.581 3.581 4.248 -0.667 18262 332 1 1 . 1 1 75 75 SER CA C 75 61.879 61.879 60.978 0.901 18262 333 1 1 . 1 1 75 75 SER CB C 75 62.010 62.010 62.512 -0.502 18262 334 1 1 . 1 1 75 75 SER H H 75 8.501 8.501 7.557 0.944 18262 335 1 1 . 1 1 76 76 SER N N 76 118.492 118.492 116.551 1.941 18262 336 1 1 . 1 1 76 76 SER HA H 76 4.301 4.301 4.416 -0.115 18262 337 1 1 . 1 1 76 76 SER CA C 76 62.748 62.748 60.991 1.757 18262 338 1 1 . 1 1 76 76 SER CB C 76 63.013 63.013 63.136 -0.123 18262 339 1 1 . 1 1 76 76 SER H H 76 8.152 8.152 7.718 0.434 18262 340 1 1 . 1 1 77 77 MET N N 77 120.358 120.358 120.220 0.138 18262 341 1 1 . 1 1 77 77 MET HA H 77 3.999 3.999 4.560 -0.561 18262 342 1 1 . 1 1 77 77 MET CA C 77 60.024 60.024 57.945 2.079 18262 343 1 1 . 1 1 77 77 MET CB C 77 34.657 34.657 32.847 1.810 18262 344 1 1 . 1 1 77 77 MET H H 77 8.130 8.130 7.651 0.479 18262 345 1 1 . 1 1 78 78 ALA N N 78 121.547 121.547 123.580 -2.033 18262 346 1 1 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.056 -0.130 18262 347 1 1 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.722 -0.126 18262 348 1 1 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.019 2.380 18262 349 1 1 . 1 1 78 78 ALA H H 78 8.534 8.534 7.990 0.544 18262 350 1 1 . 1 1 79 79 GLU N N 79 116.654 116.654 116.391 0.263 18262 351 1 1 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.106 -0.126 18262 352 1 1 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.753 0.649 18262 353 1 1 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.493 0.330 18262 354 1 1 . 1 1 79 79 GLU H H 79 7.557 7.557 7.735 -0.178 18262 355 1 1 . 1 1 80 80 ILE N N 80 118.293 118.293 118.432 -0.139 18262 356 1 1 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.135 -0.177 18262 357 1 1 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.327 0.458 18262 358 1 1 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.403 -0.096 18262 359 1 1 . 1 1 80 80 ILE H H 80 7.239 7.239 7.450 -0.211 18262 360 1 1 . 1 1 81 81 ALA N N 81 121.511 121.511 123.492 -1.981 18262 361 1 1 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.034 -0.074 18262 362 1 1 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.678 0.060 18262 363 1 1 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.538 -0.581 18262 364 1 1 . 1 1 81 81 ALA H H 81 8.595 8.595 8.569 0.026 18262 365 1 1 . 1 1 82 82 ALA N N 82 116.183 116.183 117.370 -1.187 18262 366 1 1 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.404 -0.116 18262 367 1 1 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.291 1.310 18262 368 1 1 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.359 1.035 18262 369 1 1 . 1 1 82 82 ALA H H 82 8.001 8.001 7.892 0.109 18262 370 1 1 . 1 1 83 83 SER N N 83 113.212 113.212 115.390 -2.178 18262 371 1 1 . 1 1 83 83 SER HA H 83 4.319 4.319 4.458 -0.139 18262 372 1 1 . 1 1 83 83 SER CA C 83 59.243 59.243 57.748 1.495 18262 373 1 1 . 1 1 83 83 SER CB C 83 63.971 63.971 64.022 -0.051 18262 374 1 1 . 1 1 83 83 SER H H 83 7.391 7.391 7.521 -0.130 18262 375 1 1 . 1 1 84 84 GLU N N 84 123.385 123.385 127.817 -4.432 18262 376 1 1 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.422 0.009 18262 377 1 1 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.511 0.145 18262 378 1 1 . 1 1 84 84 GLU CB C 84 30.576 30.576 30.775 -0.199 18262 379 1 1 . 1 1 84 84 GLU H H 84 8.421 8.421 8.739 -0.318 18262 380 1 1 . 1 1 85 85 GLU N N 85 121.674 121.674 123.147 -1.473 18262 381 1 1 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.419 -0.145 18262 382 1 1 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.763 1.364 18262 383 1 1 . 1 1 85 85 GLU CB C 85 30.191 30.191 32.285 -2.094 18262 384 1 1 . 1 1 85 85 GLU H H 85 8.407 8.407 8.491 -0.084 18262 385 1 1 . 1 1 86 86 GLY N N 86 110.617 110.617 108.418 2.199 18262 386 1 1 . 1 1 86 86 GLY CA C 86 45.724 45.724 46.460 -0.736 18262 387 1 1 . 1 1 86 86 GLY H H 86 8.564 8.564 8.580 -0.016 18262 388 1 1 . 1 1 87 87 GLY N N 87 108.562 108.562 112.683 -4.121 18262 389 1 1 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.885 0.581 18262 390 1 1 . 1 1 87 87 GLY H H 87 8.257 8.257 7.975 0.282 18262 391 1 1 . 1 1 88 88 GLY N N 88 107.890 107.890 110.593 -2.703 18262 392 1 1 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.642 0.242 18262 393 1 1 . 1 1 88 88 GLY H H 88 8.100 8.100 7.821 0.279 18262 394 1 1 . 1 1 89 89 SER N N 89 115.889 115.889 116.519 -0.630 18262 395 1 1 . 1 1 89 89 SER HA H 89 4.594 4.594 4.536 0.058 18262 396 1 1 . 1 1 89 89 SER CA C 89 57.382 57.382 57.702 -0.320 18262 397 1 1 . 1 1 89 89 SER CB C 89 65.271 65.271 63.892 1.379 18262 398 1 1 . 1 1 89 89 SER H H 89 8.474 8.474 8.472 0.002 18262 399 1 1 . 1 1 90 90 LEU N N 90 124.688 124.688 123.551 1.137 18262 400 1 1 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.281 -0.157 18262 401 1 1 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.104 1.456 18262 402 1 1 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.122 -0.704 18262 403 1 1 . 1 1 90 90 LEU H H 90 8.867 8.867 8.714 0.153 18262 404 1 1 . 1 1 91 91 SER N N 91 114.045 114.045 114.205 -0.160 18262 405 1 1 . 1 1 91 91 SER CA C 91 61.331 61.331 61.919 -0.588 18262 406 1 1 . 1 1 91 91 SER CB C 91 62.080 62.080 62.822 -0.742 18262 407 1 1 . 1 1 91 91 SER H H 91 8.501 8.501 8.498 0.003 18262 408 1 1 . 1 1 92 92 THR N N 92 121.036 121.036 117.062 3.974 18262 409 1 1 . 1 1 92 92 THR HA H 92 4.006 4.006 4.367 -0.361 18262 410 1 1 . 1 1 92 92 THR CA C 92 66.537 66.537 64.878 1.659 18262 411 1 1 . 1 1 92 92 THR CB C 92 68.326 68.326 68.976 -0.650 18262 412 1 1 . 1 1 92 92 THR H H 92 7.818 7.818 7.498 0.320 18262 413 1 1 . 1 1 93 93 LYS N N 93 120.426 120.426 122.743 -2.317 18262 414 1 1 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.874 -0.085 18262 415 1 1 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.108 2.006 18262 416 1 1 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.970 1.499 18262 417 1 1 . 1 1 93 93 LYS H H 93 8.146 8.146 7.807 0.339 18262 418 1 1 . 1 1 94 94 THR N N 94 111.775 111.775 112.400 -0.625 18262 419 1 1 . 1 1 94 94 THR HA H 94 3.933 3.933 4.153 -0.220 18262 420 1 1 . 1 1 94 94 THR CA C 94 67.228 67.228 66.394 0.834 18262 421 1 1 . 1 1 94 94 THR CB C 94 68.083 68.083 68.213 -0.131 18262 422 1 1 . 1 1 94 94 THR H H 94 8.881 8.881 8.015 0.866 18262 423 1 1 . 1 1 95 95 SER N N 95 119.066 119.066 117.676 1.390 18262 424 1 1 . 1 1 95 95 SER HA H 95 4.397 4.397 4.125 0.272 18262 425 1 1 . 1 1 95 95 SER CA C 95 62.060 62.060 62.164 -0.104 18262 426 1 1 . 1 1 95 95 SER CB C 95 62.693 62.693 62.629 0.064 18262 427 1 1 . 1 1 95 95 SER H H 95 8.134 8.134 7.821 0.313 18262 428 1 1 . 1 1 96 96 SER N N 96 121.588 121.588 119.950 1.638 18262 429 1 1 . 1 1 96 96 SER HA H 96 4.462 4.462 4.325 0.137 18262 430 1 1 . 1 1 96 96 SER CA C 96 62.623 62.623 62.060 0.562 18262 431 1 1 . 1 1 96 96 SER CB C 96 62.866 62.866 63.239 -0.373 18262 432 1 1 . 1 1 96 96 SER H H 96 8.642 8.642 7.559 1.083 18262 433 1 1 . 1 1 97 97 ILE N N 97 122.467 122.467 122.860 -0.393 18262 434 1 1 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.777 0.020 18262 435 1 1 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.931 0.903 18262 436 1 1 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.827 0.888 18262 437 1 1 . 1 1 97 97 ILE H H 97 8.482 8.482 8.209 0.273 18262 438 1 1 . 1 1 98 98 ALA N N 98 122.100 122.100 121.953 0.147 18262 439 1 1 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.009 0.045 18262 440 1 1 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.428 0.800 18262 441 1 1 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.209 0.208 18262 442 1 1 . 1 1 98 98 ALA H H 98 8.437 8.437 8.321 0.116 18262 443 1 1 . 1 1 99 99 SER N N 99 115.737 115.737 115.111 0.626 18262 444 1 1 . 1 1 99 99 SER HA H 99 4.366 4.366 4.251 0.115 18262 445 1 1 . 1 1 99 99 SER CA C 99 62.029 62.029 62.175 -0.146 18262 446 1 1 . 1 1 99 99 SER CB C 99 63.230 63.230 63.082 0.148 18262 447 1 1 . 1 1 99 99 SER H H 99 8.658 8.658 7.706 0.952 18262 448 1 1 . 1 1 100 100 ALA N N 100 124.292 124.292 125.407 -1.115 18262 449 1 1 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.965 0.280 18262 450 1 1 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.316 0.075 18262 451 1 1 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.282 0.210 18262 452 1 1 . 1 1 100 100 ALA H H 100 8.976 8.976 8.593 0.383 18262 453 1 1 . 1 1 101 101 MET N N 101 119.143 119.143 117.510 1.633 18262 454 1 1 . 1 1 101 101 MET HA H 101 4.054 4.054 4.116 -0.062 18262 455 1 1 . 1 1 101 101 MET CA C 101 61.026 61.026 59.722 1.304 18262 456 1 1 . 1 1 101 101 MET CB C 101 34.483 34.483 32.668 1.815 18262 457 1 1 . 1 1 101 101 MET H H 101 9.063 9.063 8.176 0.887 18262 458 1 1 . 1 1 102 102 SER N N 102 116.778 116.778 116.090 0.688 18262 459 1 1 . 1 1 102 102 SER HA H 102 4.363 4.363 4.200 0.163 18262 460 1 1 . 1 1 102 102 SER CA C 102 63.348 63.348 61.969 1.379 18262 461 1 1 . 1 1 102 102 SER CB C 102 62.593 62.593 63.176 -0.583 18262 462 1 1 . 1 1 102 102 SER H H 102 8.693 8.693 8.039 0.654 18262 463 1 1 . 1 1 103 103 ASN N N 103 117.982 117.982 119.787 -1.805 18262 464 1 1 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.523 -0.059 18262 465 1 1 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.051 0.611 18262 466 1 1 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.625 -0.108 18262 467 1 1 . 1 1 103 103 ASN H H 103 8.108 8.108 8.543 -0.434 18262 468 1 1 . 1 1 104 104 ALA N N 104 122.272 122.272 122.830 -0.558 18262 469 1 1 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.089 0.151 18262 470 1 1 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.183 -0.340 18262 471 1 1 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.562 -0.329 18262 472 1 1 . 1 1 104 104 ALA H H 104 7.892 7.892 7.975 -0.083 18262 473 1 1 . 1 1 105 105 PHE N N 105 119.096 119.096 119.127 -0.031 18262 474 1 1 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.622 -0.222 18262 475 1 1 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.119 4.724 18262 476 1 1 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.344 0.143 18262 477 1 1 . 1 1 105 105 PHE H H 105 8.580 8.580 8.407 0.173 18262 478 1 1 . 1 1 106 106 LEU N N 106 121.540 121.540 118.409 3.131 18262 479 1 1 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.000 -0.264 18262 480 1 1 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.999 1.157 18262 481 1 1 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.642 -0.307 18262 482 1 1 . 1 1 106 106 LEU H H 106 8.226 8.226 7.914 0.312 18262 483 1 1 . 1 1 107 107 GLN N N 107 114.603 114.603 117.076 -2.473 18262 484 1 1 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.243 -0.053 18262 485 1 1 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.092 -0.674 18262 486 1 1 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.570 0.921 18262 487 1 1 . 1 1 107 107 GLN H H 107 8.132 8.132 7.877 0.255 18262 488 1 1 . 1 1 108 108 THR N N 108 108.290 108.290 111.612 -3.322 18262 489 1 1 . 1 1 108 108 THR HA H 108 4.518 4.518 4.348 0.170 18262 490 1 1 . 1 1 108 108 THR CA C 108 62.483 62.483 64.085 -1.602 18262 491 1 1 . 1 1 108 108 THR CB C 108 70.390 70.390 69.438 0.952 18262 492 1 1 . 1 1 108 108 THR H H 108 7.726 7.726 7.587 0.139 18262 493 1 1 . 1 1 109 109 THR N N 109 113.407 113.407 112.775 0.632 18262 494 1 1 . 1 1 109 109 THR HA H 109 4.586 4.586 4.327 0.259 18262 495 1 1 . 1 1 109 109 THR CA C 109 62.325 62.325 61.783 0.542 18262 496 1 1 . 1 1 109 109 THR CB C 109 70.696 70.696 69.665 1.031 18262 497 1 1 . 1 1 109 109 THR H H 109 8.907 8.907 7.609 1.298 18262 498 1 1 . 1 1 110 110 GLY N N 110 109.267 109.267 110.287 -1.020 18262 499 1 1 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.889 -0.321 18262 500 1 1 . 1 1 110 110 GLY H H 110 8.361 8.361 8.049 0.312 18262 501 1 1 . 1 1 111 111 VAL N N 111 119.375 119.375 121.048 -1.673 18262 502 1 1 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.256 -0.001 18262 503 1 1 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.994 -0.112 18262 504 1 1 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.480 0.956 18262 505 1 1 . 1 1 111 111 VAL H H 111 7.784 7.784 7.379 0.405 18262 506 1 1 . 1 1 112 112 VAL N N 112 125.327 125.327 124.647 0.680 18262 507 1 1 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.547 -1.335 18262 508 1 1 . 1 1 112 112 VAL CA C 112 64.479 64.479 61.202 3.277 18262 509 1 1 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.688 -0.993 18262 510 1 1 . 1 1 112 112 VAL H H 112 8.747 8.747 8.249 0.498 18262 511 1 1 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.886 -0.384 18262 512 1 1 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.532 -1.339 18262 513 1 1 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.408 -1.286 18262 514 1 1 . 1 1 114 114 GLN N N 114 124.067 124.067 128.458 -4.391 18262 515 1 1 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.309 -0.372 18262 516 1 1 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.224 -0.806 18262 517 1 1 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.982 -0.435 18262 518 1 1 . 1 1 114 114 GLN H H 114 8.394 8.394 8.709 -0.315 18262 519 1 1 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.170 0.080 18262 520 1 1 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.154 0.518 18262 521 1 1 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.188 0.111 18262 522 1 1 . 1 1 116 116 PHE N N 116 117.820 117.820 118.794 -0.974 18262 523 1 1 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.137 0.065 18262 524 1 1 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.468 -0.137 18262 525 1 1 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.833 0.686 18262 526 1 1 . 1 1 116 116 PHE H H 116 7.268 7.268 8.377 -1.109 18262 527 1 1 . 1 1 117 117 ILE N N 117 119.434 119.434 119.545 -0.111 18262 528 1 1 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.270 0.264 18262 529 1 1 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.028 0.719 18262 530 1 1 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.476 0.719 18262 531 1 1 . 1 1 117 117 ILE H H 117 7.641 7.641 7.950 -0.309 18262 532 1 1 . 1 1 118 118 ASN N N 118 119.834 119.834 119.164 0.670 18262 533 1 1 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.514 -0.201 18262 534 1 1 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.556 0.145 18262 535 1 1 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.905 -0.384 18262 536 1 1 . 1 1 118 118 ASN H H 118 8.985 8.985 8.496 0.489 18262 537 1 1 . 1 1 119 119 GLU N N 119 121.164 121.164 121.467 -0.303 18262 538 1 1 . 1 1 119 119 GLU HA H 119 4.023 4.023 3.991 0.032 18262 539 1 1 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.578 0.059 18262 540 1 1 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.684 0.032 18262 541 1 1 . 1 1 119 119 GLU H H 119 8.090 8.090 8.142 -0.052 18262 542 1 1 . 1 1 120 120 ILE N N 120 117.906 117.906 118.368 -0.462 18262 543 1 1 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.662 0.092 18262 544 1 1 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.866 -0.898 18262 545 1 1 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.792 -0.978 18262 546 1 1 . 1 1 120 120 ILE H H 120 8.025 8.025 8.334 -0.309 18262 547 1 1 . 1 1 121 121 THR N N 121 112.720 112.720 113.615 -0.895 18262 548 1 1 . 1 1 121 121 THR HA H 121 3.767 3.767 3.847 -0.080 18262 549 1 1 . 1 1 121 121 THR CA C 121 67.203 67.203 66.253 0.950 18262 550 1 1 . 1 1 121 121 THR CB C 121 68.380 68.380 68.550 -0.170 18262 551 1 1 . 1 1 121 121 THR H H 121 8.665 8.665 8.001 0.664 18262 552 1 1 . 1 1 122 122 GLN N N 122 123.165 123.165 120.878 2.287 18262 553 1 1 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.047 0.041 18262 554 1 1 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.113 1.149 18262 555 1 1 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.003 0.158 18262 556 1 1 . 1 1 122 122 GLN H H 122 8.128 8.128 7.794 0.334 18262 557 1 1 . 1 1 123 123 LEU N N 123 120.702 120.702 120.542 0.160 18262 558 1 1 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.483 0.440 18262 559 1 1 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.727 0.391 18262 560 1 1 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.387 1.603 18262 561 1 1 . 1 1 123 123 LEU H H 123 8.173 8.173 8.101 0.072 18262 562 1 1 . 1 1 124 124 VAL N N 124 118.840 118.840 118.954 -0.114 18262 563 1 1 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.730 -0.115 18262 564 1 1 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.105 1.219 18262 565 1 1 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.741 0.812 18262 566 1 1 . 1 1 124 124 VAL H H 124 8.742 8.742 8.614 0.128 18262 567 1 1 . 1 1 125 125 SER N N 125 112.613 112.613 114.980 -2.367 18262 568 1 1 . 1 1 125 125 SER HA H 125 4.050 4.050 4.083 -0.033 18262 569 1 1 . 1 1 125 125 SER CA C 125 62.568 62.568 61.866 0.702 18262 570 1 1 . 1 1 125 125 SER CB C 125 62.960 62.960 62.842 0.118 18262 571 1 1 . 1 1 125 125 SER H H 125 7.883 7.883 7.634 0.249 18262 572 1 1 . 1 1 126 126 MET N N 126 120.939 120.939 121.859 -0.920 18262 573 1 1 . 1 1 126 126 MET HA H 126 4.052 4.052 4.097 -0.045 18262 574 1 1 . 1 1 126 126 MET CA C 126 59.009 59.009 58.467 0.542 18262 575 1 1 . 1 1 126 126 MET CB C 126 32.780 32.780 32.364 0.416 18262 576 1 1 . 1 1 126 126 MET H H 126 8.091 8.091 7.609 0.482 18262 577 1 1 . 1 1 127 127 PHE N N 127 118.732 118.732 118.218 0.514 18262 578 1 1 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.390 0.075 18262 579 1 1 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.518 1.078 18262 580 1 1 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.562 1.349 18262 581 1 1 . 1 1 127 127 PHE H H 127 8.755 8.755 8.463 0.292 18262 582 1 1 . 1 1 128 128 ALA N N 128 121.647 121.647 121.589 0.058 18262 583 1 1 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.065 0.152 18262 584 1 1 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.800 -0.296 18262 585 1 1 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.387 1.171 18262 586 1 1 . 1 1 128 128 ALA H H 128 8.638 8.638 8.067 0.571 18262 587 1 1 . 1 1 129 129 GLN N N 129 115.892 115.892 117.290 -1.398 18262 588 1 1 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.208 0.015 18262 589 1 1 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.601 -0.361 18262 590 1 1 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.141 0.236 18262 591 1 1 . 1 1 129 129 GLN H H 129 7.789 7.789 7.727 0.062 18262 592 1 1 . 1 1 130 130 ALA N N 130 122.349 122.349 120.840 1.509 18262 593 1 1 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.414 -0.143 18262 594 1 1 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.422 1.484 18262 595 1 1 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.604 -0.619 18262 596 1 1 . 1 1 130 130 ALA H H 130 7.791 7.791 8.067 -0.276 18262 597 1 1 . 1 1 131 131 GLY N N 131 106.497 106.497 107.843 -1.346 18262 598 1 1 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.347 0.425 18262 599 1 1 . 1 1 131 131 GLY H H 131 8.157 8.157 8.228 -0.071 18262 600 1 1 . 1 1 132 132 MET N N 132 119.229 119.229 113.603 5.626 18262 601 1 1 . 1 1 132 132 MET HA H 132 4.473 4.473 4.760 -0.287 18262 602 1 1 . 1 1 132 132 MET CA C 132 55.973 55.973 55.008 0.965 18262 603 1 1 . 1 1 132 132 MET CB C 132 33.129 33.129 34.749 -1.620 18262 604 1 1 . 1 1 132 132 MET H H 132 7.929 7.929 7.339 0.590 18262 605 1 1 . 1 1 133 133 ASN N N 133 118.982 118.982 120.502 -1.520 18262 606 1 1 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.226 0.515 18262 607 1 1 . 1 1 133 133 ASN CA C 133 53.368 53.368 52.625 0.743 18262 608 1 1 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.322 0.027 18262 609 1 1 . 1 1 133 133 ASN H H 133 8.334 8.334 8.640 -0.306 18262 610 1 1 . 1 1 134 134 ASP N N 134 120.983 120.983 118.344 2.639 18262 611 1 1 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.316 0.327 18262 612 1 1 . 1 1 134 134 ASP CA C 134 54.507 54.507 55.034 -0.527 18262 613 1 1 . 1 1 134 134 ASP CB C 134 41.283 41.283 39.897 1.387 18262 614 1 1 . 1 1 134 134 ASP H H 134 8.282 8.282 8.259 0.023 18262 615 1 1 . 1 1 135 135 VAL N N 135 119.922 119.922 123.900 -3.978 18262 616 1 1 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.125 0.072 18262 617 1 1 . 1 1 135 135 VAL CA C 135 62.327 62.327 61.929 0.398 18262 618 1 1 . 1 1 135 135 VAL CB C 135 32.714 32.714 33.184 -0.470 18262 619 1 1 . 1 1 135 135 VAL H H 135 8.080 8.080 7.685 0.395 18262 620 1 1 . 1 1 136 136 SER N N 136 119.994 119.994 120.384 -0.390 18262 621 1 1 . 1 1 136 136 SER HA H 136 4.459 4.459 4.235 0.224 18262 622 1 1 . 1 1 136 136 SER CA C 136 58.412 58.412 59.381 -0.969 18262 623 1 1 . 1 1 136 136 SER CB C 136 64.068 64.068 61.609 2.459 18262 624 1 1 . 1 1 136 136 SER H H 136 8.397 8.397 8.687 -0.290 18262 625 1 2 . 1 1 3 3 GLY CA C 3 45.270 45.270 45.421 -0.151 18262 626 1 2 . 1 1 4 4 ASN N N 4 124.122 124.122 122.046 2.076 18262 627 1 2 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.966 0.861 18262 628 1 2 . 1 1 4 4 ASN H H 4 7.979 7.979 8.041 -0.062 18262 629 1 2 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.311 0.381 18262 630 1 2 . 1 1 6 6 HIS CA C 6 56.068 56.068 57.215 -1.147 18262 631 1 2 . 1 1 6 6 HIS CB C 6 31.102 31.102 27.677 3.425 18262 632 1 2 . 1 1 7 7 THR N N 7 115.462 115.462 112.746 2.716 18262 633 1 2 . 1 1 7 7 THR HA H 7 4.312 4.312 4.336 -0.024 18262 634 1 2 . 1 1 7 7 THR CA C 7 62.316 62.316 63.056 -0.740 18262 635 1 2 . 1 1 7 7 THR CB C 7 69.849 69.849 69.190 0.659 18262 636 1 2 . 1 1 7 7 THR H H 7 8.132 8.132 7.994 0.138 18262 637 1 2 . 1 1 8 8 THR N N 8 115.752 115.752 112.322 3.430 18262 638 1 2 . 1 1 8 8 THR HA H 8 4.164 4.164 4.118 0.046 18262 639 1 2 . 1 1 8 8 THR CA C 8 58.419 58.419 59.373 -0.954 18262 640 1 2 . 1 1 8 8 THR CB C 8 69.385 69.385 69.010 0.375 18262 641 1 2 . 1 1 8 8 THR H H 8 7.981 7.981 7.125 0.856 18262 642 1 2 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.094 -0.142 18262 643 1 2 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.049 -0.014 18262 644 1 2 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.833 -0.174 18262 645 1 2 . 1 1 10 10 TRP N N 10 111.703 111.703 115.071 -3.368 18262 646 1 2 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.698 0.198 18262 647 1 2 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.592 -2.123 18262 648 1 2 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.109 2.137 18262 649 1 2 . 1 1 10 10 TRP H H 10 6.710 6.710 7.174 -0.464 18262 650 1 2 . 1 1 11 11 THR N N 11 106.459 106.459 110.985 -4.526 18262 651 1 2 . 1 1 11 11 THR HA H 11 3.893 3.893 4.168 -0.275 18262 652 1 2 . 1 1 11 11 THR CA C 11 64.050 64.050 63.905 0.145 18262 653 1 2 . 1 1 11 11 THR CB C 11 69.312 69.312 69.049 0.262 18262 654 1 2 . 1 1 11 11 THR H H 11 7.197 7.197 7.424 -0.227 18262 655 1 2 . 1 1 12 12 ASN N N 12 116.465 116.465 119.396 -2.931 18262 656 1 2 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.003 0.105 18262 657 1 2 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.704 0.621 18262 658 1 2 . 1 1 12 12 ASN CB C 12 40.629 40.629 39.911 0.718 18262 659 1 2 . 1 1 12 12 ASN H H 12 7.285 7.285 7.297 -0.012 18262 660 1 2 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.302 -0.103 18262 661 1 2 . 1 1 13 13 PRO CA C 13 65.511 65.511 66.000 -0.489 18262 662 1 2 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.108 0.444 18262 663 1 2 . 1 1 14 14 GLY N N 14 109.155 109.155 105.622 3.533 18262 664 1 2 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.053 0.101 18262 665 1 2 . 1 1 14 14 GLY H H 14 8.364 8.364 8.241 0.123 18262 666 1 2 . 1 1 15 15 LEU N N 15 124.654 124.654 123.298 1.356 18262 667 1 2 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.201 0.136 18262 668 1 2 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.811 0.736 18262 669 1 2 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.653 0.017 18262 670 1 2 . 1 1 15 15 LEU H H 15 7.910 7.910 7.132 0.778 18262 671 1 2 . 1 1 16 16 ALA N N 16 121.271 121.271 121.961 -0.690 18262 672 1 2 . 1 1 16 16 ALA HA H 16 4.004 4.004 3.913 0.091 18262 673 1 2 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.727 0.703 18262 674 1 2 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.162 1.291 18262 675 1 2 . 1 1 16 16 ALA H H 16 8.440 8.440 8.682 -0.242 18262 676 1 2 . 1 1 17 17 GLU N N 17 117.125 117.125 119.638 -2.513 18262 677 1 2 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.904 0.057 18262 678 1 2 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.958 -0.345 18262 679 1 2 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.674 0.328 18262 680 1 2 . 1 1 17 17 GLU H H 17 7.971 7.971 8.585 -0.614 18262 681 1 2 . 1 1 18 18 ASN N N 18 118.526 118.526 118.246 0.280 18262 682 1 2 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.475 0.068 18262 683 1 2 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.891 -0.595 18262 684 1 2 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.645 -0.323 18262 685 1 2 . 1 1 18 18 ASN H H 18 8.071 8.071 8.116 -0.045 18262 686 1 2 . 1 1 19 19 PHE N N 19 122.197 122.197 123.142 -0.945 18262 687 1 2 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.058 -0.183 18262 688 1 2 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.831 0.469 18262 689 1 2 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.926 0.573 18262 690 1 2 . 1 1 19 19 PHE H H 19 9.658 9.658 8.800 0.858 18262 691 1 2 . 1 1 20 20 MET N N 20 118.488 118.488 118.032 0.456 18262 692 1 2 . 1 1 20 20 MET HA H 20 4.432 4.432 3.955 0.477 18262 693 1 2 . 1 1 20 20 MET CA C 20 57.732 57.732 57.519 0.213 18262 694 1 2 . 1 1 20 20 MET CB C 20 31.999 31.999 31.221 0.778 18262 695 1 2 . 1 1 20 20 MET H H 20 8.874 8.874 8.699 0.175 18262 696 1 2 . 1 1 21 21 ASN N N 21 118.434 118.434 119.501 -1.067 18262 697 1 2 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.364 0.175 18262 698 1 2 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.397 -0.129 18262 699 1 2 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.530 -0.544 18262 700 1 2 . 1 1 21 21 ASN H H 21 8.468 8.468 8.806 -0.338 18262 701 1 2 . 1 1 22 22 SER N N 22 116.181 116.181 116.103 0.078 18262 702 1 2 . 1 1 22 22 SER HA H 22 4.193 4.193 4.144 0.049 18262 703 1 2 . 1 1 22 22 SER CA C 22 62.195 62.195 62.049 0.146 18262 704 1 2 . 1 1 22 22 SER CB C 22 62.997 62.997 63.074 -0.076 18262 705 1 2 . 1 1 22 22 SER H H 22 7.936 7.936 8.006 -0.070 18262 706 1 2 . 1 1 23 23 PHE N N 23 125.045 125.045 124.435 0.610 18262 707 1 2 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.029 -0.015 18262 708 1 2 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.828 -0.365 18262 709 1 2 . 1 1 23 23 PHE CB C 23 38.969 38.969 39.003 -0.034 18262 710 1 2 . 1 1 23 23 PHE H H 23 9.054 9.054 8.404 0.650 18262 711 1 2 . 1 1 24 24 MET N N 24 117.336 117.336 118.933 -1.597 18262 712 1 2 . 1 1 24 24 MET HA H 24 4.029 4.029 3.651 0.378 18262 713 1 2 . 1 1 24 24 MET CA C 24 56.117 56.117 58.471 -2.354 18262 714 1 2 . 1 1 24 24 MET CB C 24 30.378 30.378 31.980 -1.602 18262 715 1 2 . 1 1 24 24 MET H H 24 8.314 8.314 8.476 -0.162 18262 716 1 2 . 1 1 25 25 GLN N N 25 120.286 120.286 117.968 2.318 18262 717 1 2 . 1 1 25 25 GLN HA H 25 3.982 3.982 3.923 0.059 18262 718 1 2 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.374 0.832 18262 719 1 2 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.551 -0.247 18262 720 1 2 . 1 1 25 25 GLN H H 25 8.044 8.044 7.740 0.304 18262 721 1 2 . 1 1 26 26 GLY N N 26 107.817 107.817 106.571 1.246 18262 722 1 2 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.107 0.911 18262 723 1 2 . 1 1 26 26 GLY H H 26 8.101 8.101 7.676 0.425 18262 724 1 2 . 1 1 27 27 LEU N N 27 122.926 122.926 123.196 -0.270 18262 725 1 2 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.983 -0.197 18262 726 1 2 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.898 0.496 18262 727 1 2 . 1 1 27 27 LEU CB C 27 42.108 42.108 40.471 1.637 18262 728 1 2 . 1 1 27 27 LEU H H 27 8.391 8.391 8.338 0.053 18262 729 1 2 . 1 1 28 28 SER N N 28 109.497 109.497 113.348 -3.851 18262 730 1 2 . 1 1 28 28 SER HA H 28 4.150 4.150 4.191 -0.041 18262 731 1 2 . 1 1 28 28 SER CA C 28 61.223 61.223 60.335 0.888 18262 732 1 2 . 1 1 28 28 SER CB C 28 63.390 63.390 62.601 0.789 18262 733 1 2 . 1 1 28 28 SER H H 28 7.519 7.519 7.917 -0.398 18262 734 1 2 . 1 1 29 29 SER N N 29 114.590 114.590 115.221 -0.631 18262 735 1 2 . 1 1 29 29 SER HA H 29 4.739 4.739 4.465 0.274 18262 736 1 2 . 1 1 29 29 SER CA C 29 58.035 58.035 58.205 -0.170 18262 737 1 2 . 1 1 29 29 SER CB C 29 64.626 64.626 64.176 0.450 18262 738 1 2 . 1 1 29 29 SER H H 29 7.451 7.451 7.556 -0.105 18262 739 1 2 . 1 1 30 30 MET N N 30 122.408 122.408 123.348 -0.940 18262 740 1 2 . 1 1 30 30 MET HA H 30 4.946 4.946 4.786 0.160 18262 741 1 2 . 1 1 30 30 MET CA C 30 53.633 53.633 53.577 0.056 18262 742 1 2 . 1 1 30 30 MET CB C 30 32.300 32.300 32.261 0.039 18262 743 1 2 . 1 1 30 30 MET H H 30 7.659 7.659 7.479 0.180 18262 744 1 2 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.601 0.067 18262 745 1 2 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.081 -0.131 18262 746 1 2 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.747 0.065 18262 747 1 2 . 1 1 32 32 GLY N N 32 106.245 106.245 107.435 -1.190 18262 748 1 2 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.698 1.093 18262 749 1 2 . 1 1 32 32 GLY H H 32 8.407 8.407 8.729 -0.322 18262 750 1 2 . 1 1 33 33 PHE N N 33 116.330 116.330 120.926 -4.596 18262 751 1 2 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.841 0.316 18262 752 1 2 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.723 -0.790 18262 753 1 2 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.170 0.942 18262 754 1 2 . 1 1 33 33 PHE H H 33 7.865 7.865 7.456 0.409 18262 755 1 2 . 1 1 34 34 THR N N 34 113.680 113.680 116.112 -2.432 18262 756 1 2 . 1 1 34 34 THR HA H 34 4.544 4.544 4.655 -0.111 18262 757 1 2 . 1 1 34 34 THR CA C 34 60.409 60.409 60.260 0.149 18262 758 1 2 . 1 1 34 34 THR CB C 34 70.714 70.714 71.138 -0.424 18262 759 1 2 . 1 1 34 34 THR H H 34 8.895 8.895 8.040 0.855 18262 760 1 2 . 1 1 35 35 ALA N N 35 123.074 123.074 126.160 -3.086 18262 761 1 2 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.030 0.055 18262 762 1 2 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.505 0.392 18262 763 1 2 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.610 -0.442 18262 764 1 2 . 1 1 35 35 ALA H H 35 8.880 8.880 8.597 0.283 18262 765 1 2 . 1 1 36 36 SER N N 36 112.915 112.915 113.799 -0.884 18262 766 1 2 . 1 1 36 36 SER HA H 36 4.273 4.273 4.023 0.250 18262 767 1 2 . 1 1 36 36 SER CA C 36 61.473 61.473 61.621 -0.148 18262 768 1 2 . 1 1 36 36 SER CB C 36 62.441 62.441 62.871 -0.430 18262 769 1 2 . 1 1 36 36 SER H H 36 8.413 8.413 8.628 -0.215 18262 770 1 2 . 1 1 37 37 GLN N N 37 121.627 121.627 120.731 0.896 18262 771 1 2 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.171 0.105 18262 772 1 2 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.468 0.240 18262 773 1 2 . 1 1 37 37 GLN CB C 37 29.193 29.193 29.069 0.124 18262 774 1 2 . 1 1 37 37 GLN H H 37 7.639 7.639 7.634 0.005 18262 775 1 2 . 1 1 38 38 LEU N N 38 119.757 119.757 120.494 -0.737 18262 776 1 2 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.894 -0.067 18262 777 1 2 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.489 0.510 18262 778 1 2 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.547 -0.521 18262 779 1 2 . 1 1 38 38 LEU H H 38 8.351 8.351 8.411 -0.060 18262 780 1 2 . 1 1 39 39 ASP N N 39 122.097 122.097 119.213 2.884 18262 781 1 2 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.311 0.125 18262 782 1 2 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.885 -0.105 18262 783 1 2 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.825 -0.453 18262 784 1 2 . 1 1 39 39 ASP H H 39 7.962 7.962 8.399 -0.437 18262 785 1 2 . 1 1 40 40 ASP N N 40 122.033 122.033 119.068 2.965 18262 786 1 2 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.499 -0.009 18262 787 1 2 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.695 1.195 18262 788 1 2 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.110 -0.850 18262 789 1 2 . 1 1 40 40 ASP H H 40 8.052 8.052 7.446 0.606 18262 790 1 2 . 1 1 41 41 MET N N 41 121.130 121.130 119.276 1.854 18262 791 1 2 . 1 1 41 41 MET HA H 41 4.191 4.191 4.049 0.142 18262 792 1 2 . 1 1 41 41 MET CA C 41 57.798 57.798 59.838 -2.040 18262 793 1 2 . 1 1 41 41 MET CB C 41 31.529 31.529 32.435 -0.906 18262 794 1 2 . 1 1 41 41 MET H H 41 8.708 8.708 7.870 0.838 18262 795 1 2 . 1 1 42 42 SER N N 42 116.303 116.303 114.641 1.662 18262 796 1 2 . 1 1 42 42 SER HA H 42 4.301 4.301 4.105 0.196 18262 797 1 2 . 1 1 42 42 SER CA C 42 62.145 62.145 62.181 -0.035 18262 798 1 2 . 1 1 42 42 SER CB C 42 62.835 62.835 62.874 -0.039 18262 799 1 2 . 1 1 42 42 SER H H 42 8.364 8.364 8.201 0.163 18262 800 1 2 . 1 1 43 43 THR N N 43 119.136 119.136 119.067 0.069 18262 801 1 2 . 1 1 43 43 THR HA H 43 4.051 4.051 4.055 -0.004 18262 802 1 2 . 1 1 43 43 THR CA C 43 66.673 66.673 66.976 -0.303 18262 803 1 2 . 1 1 43 43 THR CB C 43 68.635 68.635 68.662 -0.027 18262 804 1 2 . 1 1 43 43 THR H H 43 7.944 7.944 7.354 0.590 18262 805 1 2 . 1 1 44 44 ILE N N 44 122.789 122.789 121.737 1.052 18262 806 1 2 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.611 0.337 18262 807 1 2 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.582 -0.935 18262 808 1 2 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.382 0.665 18262 809 1 2 . 1 1 44 44 ILE H H 44 7.856 7.856 8.035 -0.179 18262 810 1 2 . 1 1 45 45 ALA N N 45 124.903 124.903 122.293 2.610 18262 811 1 2 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.077 0.057 18262 812 1 2 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.148 0.931 18262 813 1 2 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.451 0.527 18262 814 1 2 . 1 1 45 45 ALA H H 45 8.868 8.868 8.446 0.422 18262 815 1 2 . 1 1 46 46 GLN N N 46 116.435 116.435 116.993 -0.558 18262 816 1 2 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.068 -0.004 18262 817 1 2 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.479 0.494 18262 818 1 2 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.376 -0.056 18262 819 1 2 . 1 1 46 46 GLN H H 46 8.253 8.253 7.976 0.277 18262 820 1 2 . 1 1 47 47 SER N N 47 116.211 116.211 117.034 -0.823 18262 821 1 2 . 1 1 47 47 SER HA H 47 4.249 4.249 4.254 -0.005 18262 822 1 2 . 1 1 47 47 SER CA C 47 61.766 61.766 61.341 0.425 18262 823 1 2 . 1 1 47 47 SER CB C 47 62.874 62.874 63.289 -0.416 18262 824 1 2 . 1 1 47 47 SER H H 47 8.242 8.242 8.040 0.202 18262 825 1 2 . 1 1 48 48 MET N N 48 122.179 122.179 120.940 1.239 18262 826 1 2 . 1 1 48 48 MET HA H 48 4.109 4.109 4.047 0.062 18262 827 1 2 . 1 1 48 48 MET CA C 48 57.695 57.695 57.793 -0.098 18262 828 1 2 . 1 1 48 48 MET CB C 48 31.370 31.370 31.850 -0.480 18262 829 1 2 . 1 1 48 48 MET H H 48 8.198 8.198 8.048 0.150 18262 830 1 2 . 1 1 49 49 VAL N N 49 118.918 118.918 118.767 0.151 18262 831 1 2 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.525 -0.246 18262 832 1 2 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.694 1.243 18262 833 1 2 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.284 0.269 18262 834 1 2 . 1 1 49 49 VAL H H 49 7.791 7.791 7.582 0.209 18262 835 1 2 . 1 1 50 50 GLN N N 50 118.407 118.407 119.088 -0.681 18262 836 1 2 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.961 0.131 18262 837 1 2 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.259 -0.133 18262 838 1 2 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.448 -0.245 18262 839 1 2 . 1 1 50 50 GLN H H 50 8.206 8.206 7.739 0.467 18262 840 1 2 . 1 1 51 51 SER N N 51 117.680 117.680 114.753 2.927 18262 841 1 2 . 1 1 51 51 SER HA H 51 4.209 4.209 4.200 0.009 18262 842 1 2 . 1 1 51 51 SER CA C 51 62.766 62.766 61.603 1.163 18262 843 1 2 . 1 1 51 51 SER CB C 51 63.014 63.014 63.102 -0.088 18262 844 1 2 . 1 1 51 51 SER H H 51 8.394 8.394 7.928 0.466 18262 845 1 2 . 1 1 52 52 ILE N N 52 123.233 123.233 119.703 3.530 18262 846 1 2 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.913 -0.350 18262 847 1 2 . 1 1 52 52 ILE CA C 52 64.881 64.881 63.156 1.725 18262 848 1 2 . 1 1 52 52 ILE CB C 52 37.871 37.871 38.317 -0.446 18262 849 1 2 . 1 1 52 52 ILE H H 52 8.135 8.135 7.339 0.796 18262 850 1 2 . 1 1 53 53 GLN N N 53 119.911 119.911 120.956 -1.045 18262 851 1 2 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.857 0.068 18262 852 1 2 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.490 0.081 18262 853 1 2 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.168 -0.235 18262 854 1 2 . 1 1 53 53 GLN H H 53 8.600 8.600 8.573 0.027 18262 855 1 2 . 1 1 54 54 SER N N 54 115.414 115.414 114.544 0.870 18262 856 1 2 . 1 1 54 54 SER HA H 54 4.308 4.308 4.247 0.061 18262 857 1 2 . 1 1 54 54 SER CA C 54 61.468 61.468 61.238 0.230 18262 858 1 2 . 1 1 54 54 SER CB C 54 62.950 62.950 62.998 -0.048 18262 859 1 2 . 1 1 54 54 SER H H 54 8.304 8.304 7.888 0.416 18262 860 1 2 . 1 1 55 55 LEU N N 55 121.576 121.576 123.246 -1.670 18262 861 1 2 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.136 -0.071 18262 862 1 2 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.495 0.218 18262 863 1 2 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.878 0.475 18262 864 1 2 . 1 1 55 55 LEU H H 55 7.881 7.881 7.484 0.397 18262 865 1 2 . 1 1 56 56 ALA N N 56 121.244 121.244 120.444 0.800 18262 866 1 2 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.212 0.020 18262 867 1 2 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.038 0.363 18262 868 1 2 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.443 -0.181 18262 869 1 2 . 1 1 56 56 ALA H H 56 8.007 8.007 8.542 -0.535 18262 870 1 2 . 1 1 57 57 ALA N N 57 121.370 121.370 122.107 -0.737 18262 871 1 2 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.034 0.179 18262 872 1 2 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.514 0.001 18262 873 1 2 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.507 0.033 18262 874 1 2 . 1 1 57 57 ALA H H 57 8.026 8.026 7.832 0.194 18262 875 1 2 . 1 1 58 58 GLN N N 58 114.464 114.464 117.136 -2.672 18262 876 1 2 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.236 0.108 18262 877 1 2 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.979 0.048 18262 878 1 2 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.495 0.192 18262 879 1 2 . 1 1 58 58 GLN H H 58 7.759 7.759 7.829 -0.070 18262 880 1 2 . 1 1 59 59 GLY N N 59 108.318 108.318 108.280 0.038 18262 881 1 2 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.890 1.246 18262 882 1 2 . 1 1 59 59 GLY H H 59 7.905 7.905 8.367 -0.462 18262 883 1 2 . 1 1 60 60 ARG N N 60 118.325 118.325 123.971 -5.646 18262 884 1 2 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.396 0.130 18262 885 1 2 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.637 0.091 18262 886 1 2 . 1 1 60 60 ARG CB C 60 31.690 31.690 29.624 2.066 18262 887 1 2 . 1 1 60 60 ARG H H 60 8.097 8.097 8.088 0.009 18262 888 1 2 . 1 1 61 61 THR N N 61 116.640 116.640 121.695 -5.055 18262 889 1 2 . 1 1 61 61 THR HA H 61 4.782 4.782 4.534 0.248 18262 890 1 2 . 1 1 61 61 THR CA C 61 63.339 63.339 61.748 1.591 18262 891 1 2 . 1 1 61 61 THR CB C 61 68.819 68.819 71.246 -2.427 18262 892 1 2 . 1 1 61 61 THR H H 61 8.038 8.038 8.011 0.027 18262 893 1 2 . 1 1 62 62 SER N N 62 119.882 119.882 122.850 -2.968 18262 894 1 2 . 1 1 62 62 SER HA H 62 4.899 4.899 4.849 0.050 18262 895 1 2 . 1 1 62 62 SER CA C 62 56.263 56.263 55.762 0.501 18262 896 1 2 . 1 1 62 62 SER CB C 62 63.827 63.827 63.647 0.180 18262 897 1 2 . 1 1 62 62 SER H H 62 7.792 7.792 8.508 -0.716 18262 898 1 2 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.290 0.009 18262 899 1 2 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.160 0.656 18262 900 1 2 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.893 0.324 18262 901 1 2 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.533 0.014 18262 902 1 2 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.434 -0.239 18262 903 1 2 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.808 0.262 18262 904 1 2 . 1 1 65 65 LYS N N 65 121.063 121.063 120.912 0.151 18262 905 1 2 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.062 0.120 18262 906 1 2 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.924 -0.372 18262 907 1 2 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.037 0.670 18262 908 1 2 . 1 1 65 65 LYS H H 65 7.762 7.762 7.844 -0.082 18262 909 1 2 . 1 1 66 66 LEU N N 66 119.082 119.082 117.952 1.130 18262 910 1 2 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.237 -0.174 18262 911 1 2 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.993 0.005 18262 912 1 2 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.957 0.504 18262 913 1 2 . 1 1 66 66 LEU H H 66 7.934 7.934 7.889 0.045 18262 914 1 2 . 1 1 67 67 GLN N N 67 119.220 119.220 118.160 1.060 18262 915 1 2 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.297 -0.090 18262 916 1 2 . 1 1 67 67 GLN CA C 67 59.087 59.087 58.809 0.278 18262 917 1 2 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.876 -0.661 18262 918 1 2 . 1 1 67 67 GLN H H 67 8.201 8.201 7.426 0.775 18262 919 1 2 . 1 1 68 68 ALA N N 68 121.749 121.749 123.070 -1.321 18262 920 1 2 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.123 0.056 18262 921 1 2 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.996 0.279 18262 922 1 2 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.494 -0.389 18262 923 1 2 . 1 1 68 68 ALA H H 68 7.739 7.739 8.300 -0.561 18262 924 1 2 . 1 1 69 69 LEU N N 69 120.591 120.591 117.299 3.292 18262 925 1 2 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.866 0.129 18262 926 1 2 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.267 0.707 18262 927 1 2 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.352 -0.014 18262 928 1 2 . 1 1 69 69 LEU H H 69 7.888 7.888 8.553 -0.665 18262 929 1 2 . 1 1 70 70 ASN N N 70 119.586 119.586 117.529 2.057 18262 930 1 2 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.288 -0.757 18262 931 1 2 . 1 1 70 70 ASN CA C 70 57.020 57.020 55.898 1.122 18262 932 1 2 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.246 0.602 18262 933 1 2 . 1 1 70 70 ASN H H 70 8.356 8.356 7.664 0.692 18262 934 1 2 . 1 1 71 71 MET N N 71 117.354 117.354 119.452 -2.098 18262 935 1 2 . 1 1 71 71 MET HA H 71 4.271 4.271 4.394 -0.123 18262 936 1 2 . 1 1 71 71 MET CA C 71 59.088 59.088 57.560 1.528 18262 937 1 2 . 1 1 71 71 MET CB C 71 32.746 32.746 31.205 1.541 18262 938 1 2 . 1 1 71 71 MET H H 71 8.207 8.207 7.796 0.411 18262 939 1 2 . 1 1 72 72 ALA N N 72 123.354 123.354 123.162 0.192 18262 940 1 2 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.867 0.207 18262 941 1 2 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.269 -0.142 18262 942 1 2 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.245 -0.088 18262 943 1 2 . 1 1 72 72 ALA H H 72 8.075 8.075 7.664 0.411 18262 944 1 2 . 1 1 73 73 PHE N N 73 120.968 120.968 117.301 3.667 18262 945 1 2 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.211 0.307 18262 946 1 2 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.507 -0.075 18262 947 1 2 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.991 1.606 18262 948 1 2 . 1 1 73 73 PHE H H 73 8.546 8.546 7.912 0.634 18262 949 1 2 . 1 1 74 74 ALA N N 74 119.865 119.865 122.506 -2.641 18262 950 1 2 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.609 0.132 18262 951 1 2 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.572 0.822 18262 952 1 2 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.651 2.759 18262 953 1 2 . 1 1 74 74 ALA H H 74 8.593 8.593 7.335 1.258 18262 954 1 2 . 1 1 75 75 SER N N 75 112.870 112.870 114.358 -1.488 18262 955 1 2 . 1 1 75 75 SER HA H 75 3.581 3.581 4.120 -0.539 18262 956 1 2 . 1 1 75 75 SER CA C 75 61.879 61.879 61.542 0.337 18262 957 1 2 . 1 1 75 75 SER CB C 75 62.010 62.010 62.597 -0.587 18262 958 1 2 . 1 1 75 75 SER H H 75 8.501 8.501 8.113 0.388 18262 959 1 2 . 1 1 76 76 SER N N 76 118.492 118.492 118.497 -0.005 18262 960 1 2 . 1 1 76 76 SER HA H 76 4.301 4.301 4.581 -0.280 18262 961 1 2 . 1 1 76 76 SER CA C 76 62.748 62.748 62.130 0.619 18262 962 1 2 . 1 1 76 76 SER CB C 76 63.013 63.013 63.106 -0.093 18262 963 1 2 . 1 1 76 76 SER H H 76 8.152 8.152 8.078 0.074 18262 964 1 2 . 1 1 77 77 MET N N 77 120.358 120.358 120.629 -0.271 18262 965 1 2 . 1 1 77 77 MET HA H 77 3.999 3.999 4.248 -0.249 18262 966 1 2 . 1 1 77 77 MET CA C 77 60.024 60.024 59.269 0.755 18262 967 1 2 . 1 1 77 77 MET CB C 77 34.657 34.657 32.370 2.287 18262 968 1 2 . 1 1 77 77 MET H H 77 8.130 8.130 8.136 -0.006 18262 969 1 2 . 1 1 78 78 ALA N N 78 121.547 121.547 122.873 -1.326 18262 970 1 2 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.034 -0.108 18262 971 1 2 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.537 0.059 18262 972 1 2 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.779 2.620 18262 973 1 2 . 1 1 78 78 ALA H H 78 8.534 8.534 8.151 0.383 18262 974 1 2 . 1 1 79 79 GLU N N 79 116.654 116.654 119.182 -2.528 18262 975 1 2 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.001 -0.021 18262 976 1 2 . 1 1 79 79 GLU CA C 79 59.402 59.402 59.540 -0.138 18262 977 1 2 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.612 0.211 18262 978 1 2 . 1 1 79 79 GLU H H 79 7.557 7.557 7.620 -0.063 18262 979 1 2 . 1 1 80 80 ILE N N 80 118.293 118.293 120.853 -2.560 18262 980 1 2 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.822 0.136 18262 981 1 2 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.996 -1.211 18262 982 1 2 . 1 1 80 80 ILE CB C 80 38.307 38.307 37.953 0.354 18262 983 1 2 . 1 1 80 80 ILE H H 80 7.239 7.239 7.828 -0.589 18262 984 1 2 . 1 1 81 81 ALA N N 81 121.511 121.511 122.372 -0.861 18262 985 1 2 . 1 1 81 81 ALA HA H 81 3.960 3.960 3.971 -0.011 18262 986 1 2 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.971 -0.233 18262 987 1 2 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.580 -0.623 18262 988 1 2 . 1 1 81 81 ALA H H 81 8.595 8.595 8.658 -0.063 18262 989 1 2 . 1 1 82 82 ALA N N 82 116.183 116.183 117.232 -1.049 18262 990 1 2 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.586 -0.298 18262 991 1 2 . 1 1 82 82 ALA CA C 82 52.601 52.601 50.443 2.158 18262 992 1 2 . 1 1 82 82 ALA CB C 82 19.394 19.394 19.137 0.257 18262 993 1 2 . 1 1 82 82 ALA H H 82 8.001 8.001 7.808 0.193 18262 994 1 2 . 1 1 83 83 SER N N 83 113.212 113.212 116.449 -3.237 18262 995 1 2 . 1 1 83 83 SER HA H 83 4.319 4.319 4.424 -0.105 18262 996 1 2 . 1 1 83 83 SER CA C 83 59.243 59.243 58.093 1.150 18262 997 1 2 . 1 1 83 83 SER CB C 83 63.971 63.971 64.050 -0.079 18262 998 1 2 . 1 1 83 83 SER H H 83 7.391 7.391 7.511 -0.120 18262 999 1 2 . 1 1 84 84 GLU N N 84 123.385 123.385 125.402 -2.017 18262 1000 1 2 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.251 0.180 18262 1001 1 2 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.992 -0.336 18262 1002 1 2 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.630 0.947 18262 1003 1 2 . 1 1 84 84 GLU H H 84 8.421 8.421 8.743 -0.322 18262 1004 1 2 . 1 1 85 85 GLU N N 85 121.674 121.674 124.898 -3.224 18262 1005 1 2 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.508 -0.234 18262 1006 1 2 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.577 1.550 18262 1007 1 2 . 1 1 85 85 GLU CB C 85 30.191 30.191 32.493 -2.302 18262 1008 1 2 . 1 1 85 85 GLU H H 85 8.407 8.407 8.375 0.032 18262 1009 1 2 . 1 1 86 86 GLY N N 86 110.617 110.617 109.609 1.008 18262 1010 1 2 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.548 0.176 18262 1011 1 2 . 1 1 86 86 GLY H H 86 8.564 8.564 8.841 -0.277 18262 1012 1 2 . 1 1 87 87 GLY N N 87 108.562 108.562 110.394 -1.832 18262 1013 1 2 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.929 0.537 18262 1014 1 2 . 1 1 87 87 GLY H H 87 8.257 8.257 8.280 -0.023 18262 1015 1 2 . 1 1 88 88 GLY N N 88 107.890 107.890 108.523 -0.633 18262 1016 1 2 . 1 1 88 88 GLY CA C 88 44.884 44.884 43.999 0.884 18262 1017 1 2 . 1 1 88 88 GLY H H 88 8.100 8.100 8.450 -0.350 18262 1018 1 2 . 1 1 89 89 SER N N 89 115.889 115.889 117.510 -1.621 18262 1019 1 2 . 1 1 89 89 SER HA H 89 4.594 4.594 4.234 0.360 18262 1020 1 2 . 1 1 89 89 SER CA C 89 57.382 57.382 58.522 -1.140 18262 1021 1 2 . 1 1 89 89 SER CB C 89 65.271 65.271 63.042 2.229 18262 1022 1 2 . 1 1 89 89 SER H H 89 8.474 8.474 7.825 0.648 18262 1023 1 2 . 1 1 90 90 LEU N N 90 124.688 124.688 129.641 -4.953 18262 1024 1 2 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.044 0.080 18262 1025 1 2 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.167 1.393 18262 1026 1 2 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.123 -0.706 18262 1027 1 2 . 1 1 90 90 LEU H H 90 8.867 8.867 8.668 0.199 18262 1028 1 2 . 1 1 91 91 SER N N 91 114.045 114.045 112.568 1.477 18262 1029 1 2 . 1 1 91 91 SER CA C 91 61.331 61.331 60.809 0.522 18262 1030 1 2 . 1 1 91 91 SER CB C 91 62.080 62.080 62.991 -0.911 18262 1031 1 2 . 1 1 91 91 SER H H 91 8.501 8.501 8.159 0.342 18262 1032 1 2 . 1 1 92 92 THR N N 92 121.036 121.036 115.991 5.045 18262 1033 1 2 . 1 1 92 92 THR HA H 92 4.006 4.006 4.641 -0.635 18262 1034 1 2 . 1 1 92 92 THR CA C 92 66.537 66.537 63.700 2.837 18262 1035 1 2 . 1 1 92 92 THR CB C 92 68.326 68.326 69.286 -0.960 18262 1036 1 2 . 1 1 92 92 THR H H 92 7.818 7.818 7.649 0.169 18262 1037 1 2 . 1 1 93 93 LYS N N 93 120.426 120.426 121.862 -1.436 18262 1038 1 2 . 1 1 93 93 LYS HA H 93 3.789 3.789 4.204 -0.415 18262 1039 1 2 . 1 1 93 93 LYS CA C 93 61.114 61.114 58.854 2.260 18262 1040 1 2 . 1 1 93 93 LYS CB C 93 33.469 33.469 32.175 1.294 18262 1041 1 2 . 1 1 93 93 LYS H H 93 8.146 8.146 7.623 0.523 18262 1042 1 2 . 1 1 94 94 THR N N 94 111.775 111.775 111.709 0.066 18262 1043 1 2 . 1 1 94 94 THR HA H 94 3.933 3.933 4.335 -0.402 18262 1044 1 2 . 1 1 94 94 THR CA C 94 67.228 67.228 65.806 1.422 18262 1045 1 2 . 1 1 94 94 THR CB C 94 68.083 68.083 68.493 -0.410 18262 1046 1 2 . 1 1 94 94 THR H H 94 8.881 8.881 7.802 1.079 18262 1047 1 2 . 1 1 95 95 SER N N 95 119.066 119.066 118.149 0.917 18262 1048 1 2 . 1 1 95 95 SER HA H 95 4.397 4.397 4.206 0.191 18262 1049 1 2 . 1 1 95 95 SER CA C 95 62.060 62.060 61.765 0.295 18262 1050 1 2 . 1 1 95 95 SER CB C 95 62.693 62.693 62.780 -0.087 18262 1051 1 2 . 1 1 95 95 SER H H 95 8.134 8.134 8.196 -0.062 18262 1052 1 2 . 1 1 96 96 SER N N 96 121.588 121.588 119.296 2.292 18262 1053 1 2 . 1 1 96 96 SER HA H 96 4.462 4.462 4.348 0.114 18262 1054 1 2 . 1 1 96 96 SER CA C 96 62.623 62.623 61.523 1.100 18262 1055 1 2 . 1 1 96 96 SER CB C 96 62.866 62.866 63.197 -0.331 18262 1056 1 2 . 1 1 96 96 SER H H 96 8.642 8.642 7.662 0.980 18262 1057 1 2 . 1 1 97 97 ILE N N 97 122.467 122.467 124.017 -1.550 18262 1058 1 2 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.826 -0.029 18262 1059 1 2 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.424 1.411 18262 1060 1 2 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.739 0.976 18262 1061 1 2 . 1 1 97 97 ILE H H 97 8.482 8.482 7.511 0.971 18262 1062 1 2 . 1 1 98 98 ALA N N 98 122.100 122.100 120.917 1.183 18262 1063 1 2 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.119 -0.065 18262 1064 1 2 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.563 0.665 18262 1065 1 2 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.155 0.262 18262 1066 1 2 . 1 1 98 98 ALA H H 98 8.437 8.437 8.056 0.381 18262 1067 1 2 . 1 1 99 99 SER N N 99 115.737 115.737 115.536 0.201 18262 1068 1 2 . 1 1 99 99 SER HA H 99 4.366 4.366 4.307 0.059 18262 1069 1 2 . 1 1 99 99 SER CA C 99 62.029 62.029 62.049 -0.020 18262 1070 1 2 . 1 1 99 99 SER CB C 99 63.230 63.230 62.994 0.236 18262 1071 1 2 . 1 1 99 99 SER H H 99 8.658 8.658 7.590 1.068 18262 1072 1 2 . 1 1 100 100 ALA N N 100 124.292 124.292 125.166 -0.874 18262 1073 1 2 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.932 0.313 18262 1074 1 2 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.254 0.137 18262 1075 1 2 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.220 0.272 18262 1076 1 2 . 1 1 100 100 ALA H H 100 8.976 8.976 8.495 0.481 18262 1077 1 2 . 1 1 101 101 MET N N 101 119.143 119.143 117.728 1.415 18262 1078 1 2 . 1 1 101 101 MET HA H 101 4.054 4.054 3.974 0.080 18262 1079 1 2 . 1 1 101 101 MET CA C 101 61.026 61.026 59.757 1.269 18262 1080 1 2 . 1 1 101 101 MET CB C 101 34.483 34.483 32.779 1.704 18262 1081 1 2 . 1 1 101 101 MET H H 101 9.063 9.063 8.156 0.907 18262 1082 1 2 . 1 1 102 102 SER N N 102 116.778 116.778 115.810 0.968 18262 1083 1 2 . 1 1 102 102 SER HA H 102 4.363 4.363 4.401 -0.038 18262 1084 1 2 . 1 1 102 102 SER CA C 102 63.348 63.348 61.905 1.443 18262 1085 1 2 . 1 1 102 102 SER CB C 102 62.593 62.593 63.190 -0.597 18262 1086 1 2 . 1 1 102 102 SER H H 102 8.693 8.693 8.234 0.459 18262 1087 1 2 . 1 1 103 103 ASN N N 103 117.982 117.982 119.865 -1.883 18262 1088 1 2 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.572 -0.108 18262 1089 1 2 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.743 0.919 18262 1090 1 2 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.420 0.097 18262 1091 1 2 . 1 1 103 103 ASN H H 103 8.108 8.108 8.350 -0.242 18262 1092 1 2 . 1 1 104 104 ALA N N 104 122.272 122.272 122.696 -0.424 18262 1093 1 2 . 1 1 104 104 ALA HA H 104 4.240 4.240 3.960 0.280 18262 1094 1 2 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.968 -0.125 18262 1095 1 2 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.089 0.144 18262 1096 1 2 . 1 1 104 104 ALA H H 104 7.892 7.892 7.860 0.032 18262 1097 1 2 . 1 1 105 105 PHE N N 105 119.096 119.096 118.285 0.811 18262 1098 1 2 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.360 0.040 18262 1099 1 2 . 1 1 105 105 PHE CA C 105 63.843 63.843 61.608 2.236 18262 1100 1 2 . 1 1 105 105 PHE CB C 105 39.487 39.487 38.704 0.783 18262 1101 1 2 . 1 1 105 105 PHE H H 105 8.580 8.580 8.556 0.024 18262 1102 1 2 . 1 1 106 106 LEU N N 106 121.540 121.540 118.057 3.483 18262 1103 1 2 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.143 -0.407 18262 1104 1 2 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.689 1.467 18262 1105 1 2 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.542 -0.207 18262 1106 1 2 . 1 1 106 106 LEU H H 106 8.226 8.226 7.503 0.723 18262 1107 1 2 . 1 1 107 107 GLN N N 107 114.603 114.603 116.416 -1.813 18262 1108 1 2 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.298 -0.108 18262 1109 1 2 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.058 -0.640 18262 1110 1 2 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.609 0.882 18262 1111 1 2 . 1 1 107 107 GLN H H 107 8.132 8.132 8.015 0.117 18262 1112 1 2 . 1 1 108 108 THR N N 108 108.290 108.290 110.480 -2.190 18262 1113 1 2 . 1 1 108 108 THR HA H 108 4.518 4.518 4.541 -0.023 18262 1114 1 2 . 1 1 108 108 THR CA C 108 62.483 62.483 63.718 -1.235 18262 1115 1 2 . 1 1 108 108 THR CB C 108 70.390 70.390 70.187 0.203 18262 1116 1 2 . 1 1 108 108 THR H H 108 7.726 7.726 7.508 0.218 18262 1117 1 2 . 1 1 109 109 THR N N 109 113.407 113.407 114.202 -0.795 18262 1118 1 2 . 1 1 109 109 THR HA H 109 4.586 4.586 4.546 0.040 18262 1119 1 2 . 1 1 109 109 THR CA C 109 62.325 62.325 62.133 0.192 18262 1120 1 2 . 1 1 109 109 THR CB C 109 70.696 70.696 70.686 0.010 18262 1121 1 2 . 1 1 109 109 THR H H 109 8.907 8.907 8.185 0.722 18262 1122 1 2 . 1 1 110 110 GLY N N 110 109.267 109.267 111.718 -2.451 18262 1123 1 2 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.612 -0.044 18262 1124 1 2 . 1 1 110 110 GLY H H 110 8.361 8.361 8.508 -0.147 18262 1125 1 2 . 1 1 111 111 VAL N N 111 119.375 119.375 120.037 -0.662 18262 1126 1 2 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.310 -0.055 18262 1127 1 2 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.674 0.208 18262 1128 1 2 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.082 1.354 18262 1129 1 2 . 1 1 111 111 VAL H H 111 7.784 7.784 7.385 0.399 18262 1130 1 2 . 1 1 112 112 VAL N N 112 125.327 125.327 125.530 -0.203 18262 1131 1 2 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.879 -0.667 18262 1132 1 2 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.748 3.731 18262 1133 1 2 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.255 -0.559 18262 1134 1 2 . 1 1 112 112 VAL H H 112 8.747 8.747 8.094 0.653 18262 1135 1 2 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.639 -0.137 18262 1136 1 2 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.347 -1.154 18262 1137 1 2 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.385 -1.263 18262 1138 1 2 . 1 1 114 114 GLN N N 114 124.067 124.067 128.355 -4.288 18262 1139 1 2 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.281 -0.344 18262 1140 1 2 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.260 -0.842 18262 1141 1 2 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.880 -0.333 18262 1142 1 2 . 1 1 114 114 GLN H H 114 8.394 8.394 8.544 -0.150 18262 1143 1 2 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.172 0.078 18262 1144 1 2 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.123 0.549 18262 1145 1 2 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.164 0.135 18262 1146 1 2 . 1 1 116 116 PHE N N 116 117.820 117.820 119.016 -1.196 18262 1147 1 2 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.177 0.025 18262 1148 1 2 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.605 -0.274 18262 1149 1 2 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.174 0.345 18262 1150 1 2 . 1 1 116 116 PHE H H 116 7.268 7.268 8.395 -1.127 18262 1151 1 2 . 1 1 117 117 ILE N N 117 119.434 119.434 119.637 -0.203 18262 1152 1 2 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.441 0.093 18262 1153 1 2 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.251 0.496 18262 1154 1 2 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.600 0.595 18262 1155 1 2 . 1 1 117 117 ILE H H 117 7.641 7.641 7.954 -0.313 18262 1156 1 2 . 1 1 118 118 ASN N N 118 119.834 119.834 119.286 0.548 18262 1157 1 2 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.496 -0.183 18262 1158 1 2 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.778 -0.077 18262 1159 1 2 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.760 -0.239 18262 1160 1 2 . 1 1 118 118 ASN H H 118 8.985 8.985 8.713 0.272 18262 1161 1 2 . 1 1 119 119 GLU N N 119 121.164 121.164 121.301 -0.137 18262 1162 1 2 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.080 -0.057 18262 1163 1 2 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.091 0.546 18262 1164 1 2 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.323 0.393 18262 1165 1 2 . 1 1 119 119 GLU H H 119 8.090 8.090 8.287 -0.197 18262 1166 1 2 . 1 1 120 120 ILE N N 120 117.906 117.906 118.812 -0.906 18262 1167 1 2 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.660 0.094 18262 1168 1 2 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.180 -1.212 18262 1169 1 2 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.689 -0.875 18262 1170 1 2 . 1 1 120 120 ILE H H 120 8.025 8.025 8.315 -0.290 18262 1171 1 2 . 1 1 121 121 THR N N 121 112.720 112.720 112.794 -0.074 18262 1172 1 2 . 1 1 121 121 THR HA H 121 3.767 3.767 3.984 -0.217 18262 1173 1 2 . 1 1 121 121 THR CA C 121 67.203 67.203 66.540 0.663 18262 1174 1 2 . 1 1 121 121 THR CB C 121 68.380 68.380 68.245 0.135 18262 1175 1 2 . 1 1 121 121 THR H H 121 8.665 8.665 8.428 0.237 18262 1176 1 2 . 1 1 122 122 GLN N N 122 123.165 123.165 120.646 2.519 18262 1177 1 2 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.248 -0.160 18262 1178 1 2 . 1 1 122 122 GLN CA C 122 59.262 59.262 57.847 1.415 18262 1179 1 2 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.257 -0.096 18262 1180 1 2 . 1 1 122 122 GLN H H 122 8.128 8.128 7.637 0.491 18262 1181 1 2 . 1 1 123 123 LEU N N 123 120.702 120.702 122.462 -1.760 18262 1182 1 2 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.566 0.357 18262 1183 1 2 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.004 0.114 18262 1184 1 2 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.883 1.107 18262 1185 1 2 . 1 1 123 123 LEU H H 123 8.173 8.173 8.166 0.007 18262 1186 1 2 . 1 1 124 124 VAL N N 124 118.840 118.840 119.425 -0.585 18262 1187 1 2 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.815 -0.200 18262 1188 1 2 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.660 0.663 18262 1189 1 2 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.566 -0.013 18262 1190 1 2 . 1 1 124 124 VAL H H 124 8.742 8.742 8.762 -0.020 18262 1191 1 2 . 1 1 125 125 SER N N 125 112.613 112.613 114.597 -1.984 18262 1192 1 2 . 1 1 125 125 SER HA H 125 4.050 4.050 4.140 -0.090 18262 1193 1 2 . 1 1 125 125 SER CA C 125 62.568 62.568 62.036 0.532 18262 1194 1 2 . 1 1 125 125 SER CB C 125 62.960 62.960 62.821 0.139 18262 1195 1 2 . 1 1 125 125 SER H H 125 7.883 7.883 7.658 0.225 18262 1196 1 2 . 1 1 126 126 MET N N 126 120.939 120.939 121.566 -0.627 18262 1197 1 2 . 1 1 126 126 MET HA H 126 4.052 4.052 4.096 -0.044 18262 1198 1 2 . 1 1 126 126 MET CA C 126 59.009 59.009 58.267 0.742 18262 1199 1 2 . 1 1 126 126 MET CB C 126 32.780 32.780 32.293 0.487 18262 1200 1 2 . 1 1 126 126 MET H H 126 8.091 8.091 7.480 0.611 18262 1201 1 2 . 1 1 127 127 PHE N N 127 118.732 118.732 117.039 1.693 18262 1202 1 2 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.262 0.203 18262 1203 1 2 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.650 0.946 18262 1204 1 2 . 1 1 127 127 PHE CB C 127 38.911 38.911 38.232 0.679 18262 1205 1 2 . 1 1 127 127 PHE H H 127 8.755 8.755 8.094 0.661 18262 1206 1 2 . 1 1 128 128 ALA N N 128 121.647 121.647 121.655 -0.008 18262 1207 1 2 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.117 0.100 18262 1208 1 2 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.038 0.466 18262 1209 1 2 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.877 0.680 18262 1210 1 2 . 1 1 128 128 ALA H H 128 8.638 8.638 7.979 0.659 18262 1211 1 2 . 1 1 129 129 GLN N N 129 115.892 115.892 117.667 -1.775 18262 1212 1 2 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.169 0.054 18262 1213 1 2 . 1 1 129 129 GLN CA C 129 57.240 57.240 58.024 -0.784 18262 1214 1 2 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.612 -0.235 18262 1215 1 2 . 1 1 129 129 GLN H H 129 7.789 7.789 7.656 0.133 18262 1216 1 2 . 1 1 130 130 ALA N N 130 122.349 122.349 120.036 2.313 18262 1217 1 2 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.104 0.167 18262 1218 1 2 . 1 1 130 130 ALA CA C 130 53.907 53.907 53.140 0.767 18262 1219 1 2 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.012 1.973 18262 1220 1 2 . 1 1 130 130 ALA H H 130 7.791 7.791 8.252 -0.461 18262 1221 1 2 . 1 1 131 131 GLY N N 131 106.497 106.497 102.988 3.509 18262 1222 1 2 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.874 0.898 18262 1223 1 2 . 1 1 131 131 GLY H H 131 8.157 8.157 8.573 -0.416 18262 1224 1 2 . 1 1 132 132 MET N N 132 119.229 119.229 119.621 -0.392 18262 1225 1 2 . 1 1 132 132 MET HA H 132 4.473 4.473 4.568 -0.095 18262 1226 1 2 . 1 1 132 132 MET CA C 132 55.973 55.973 54.781 1.192 18262 1227 1 2 . 1 1 132 132 MET CB C 132 33.129 33.129 34.605 -1.476 18262 1228 1 2 . 1 1 132 132 MET H H 132 7.929 7.929 7.909 0.020 18262 1229 1 2 . 1 1 133 133 ASN N N 133 118.982 118.982 119.502 -0.520 18262 1230 1 2 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.752 -0.011 18262 1231 1 2 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.050 0.318 18262 1232 1 2 . 1 1 133 133 ASN CB C 133 39.349 39.349 40.198 -0.849 18262 1233 1 2 . 1 1 133 133 ASN H H 133 8.334 8.334 8.427 -0.093 18262 1234 1 2 . 1 1 134 134 ASP N N 134 120.983 120.983 122.880 -1.897 18262 1235 1 2 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.737 -0.094 18262 1236 1 2 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.418 1.089 18262 1237 1 2 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.252 1.030 18262 1238 1 2 . 1 1 134 134 ASP H H 134 8.282 8.282 8.504 -0.222 18262 1239 1 2 . 1 1 135 135 VAL N N 135 119.922 119.922 119.367 0.555 18262 1240 1 2 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.474 -0.277 18262 1241 1 2 . 1 1 135 135 VAL CA C 135 62.327 62.327 61.220 1.107 18262 1242 1 2 . 1 1 135 135 VAL CB C 135 32.714 32.714 31.857 0.857 18262 1243 1 2 . 1 1 135 135 VAL H H 135 8.080 8.080 7.939 0.141 18262 1244 1 2 . 1 1 136 136 SER N N 136 119.994 119.994 115.425 4.569 18262 1245 1 2 . 1 1 136 136 SER HA H 136 4.459 4.459 4.061 0.398 18262 1246 1 2 . 1 1 136 136 SER CA C 136 58.412 58.412 59.083 -0.671 18262 1247 1 2 . 1 1 136 136 SER CB C 136 64.068 64.068 62.322 1.746 18262 1248 1 2 . 1 1 136 136 SER H H 136 8.397 8.397 8.140 0.257 18262 1249 1 3 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.431 0.839 18262 1250 1 3 . 1 1 4 4 ASN N N 4 124.122 124.122 117.988 6.134 18262 1251 1 3 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.551 2.276 18262 1252 1 3 . 1 1 4 4 ASN H H 4 7.979 7.979 8.414 -0.435 18262 1253 1 3 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.701 -0.009 18262 1254 1 3 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.058 1.010 18262 1255 1 3 . 1 1 6 6 HIS CB C 6 31.102 31.102 28.346 2.756 18262 1256 1 3 . 1 1 7 7 THR N N 7 115.462 115.462 113.467 1.995 18262 1257 1 3 . 1 1 7 7 THR HA H 7 4.312 4.312 4.500 -0.188 18262 1258 1 3 . 1 1 7 7 THR CA C 7 62.316 62.316 60.751 1.565 18262 1259 1 3 . 1 1 7 7 THR CB C 7 69.849 69.849 70.651 -0.802 18262 1260 1 3 . 1 1 7 7 THR H H 7 8.132 8.132 7.512 0.620 18262 1261 1 3 . 1 1 8 8 THR N N 8 115.752 115.752 110.756 4.996 18262 1262 1 3 . 1 1 8 8 THR HA H 8 4.164 4.164 4.346 -0.182 18262 1263 1 3 . 1 1 8 8 THR CA C 8 58.419 58.419 57.252 1.167 18262 1264 1 3 . 1 1 8 8 THR CB C 8 69.385 69.385 70.055 -0.670 18262 1265 1 3 . 1 1 8 8 THR H H 8 7.981 7.981 7.851 0.130 18262 1266 1 3 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.933 0.019 18262 1267 1 3 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.805 -0.770 18262 1268 1 3 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.532 0.127 18262 1269 1 3 . 1 1 10 10 TRP N N 10 111.703 111.703 114.629 -2.926 18262 1270 1 3 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.668 0.228 18262 1271 1 3 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.932 -1.463 18262 1272 1 3 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.932 2.314 18262 1273 1 3 . 1 1 10 10 TRP H H 10 6.710 6.710 6.950 -0.240 18262 1274 1 3 . 1 1 11 11 THR N N 11 106.459 106.459 110.018 -3.559 18262 1275 1 3 . 1 1 11 11 THR HA H 11 3.893 3.893 4.164 -0.271 18262 1276 1 3 . 1 1 11 11 THR CA C 11 64.050 64.050 63.657 0.393 18262 1277 1 3 . 1 1 11 11 THR CB C 11 69.312 69.312 69.053 0.259 18262 1278 1 3 . 1 1 11 11 THR H H 11 7.197 7.197 7.487 -0.290 18262 1279 1 3 . 1 1 12 12 ASN N N 12 116.465 116.465 119.727 -3.262 18262 1280 1 3 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.179 -0.071 18262 1281 1 3 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.552 0.773 18262 1282 1 3 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.712 -0.083 18262 1283 1 3 . 1 1 12 12 ASN H H 12 7.285 7.285 7.441 -0.156 18262 1284 1 3 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.331 -0.132 18262 1285 1 3 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.703 -0.192 18262 1286 1 3 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.101 0.451 18262 1287 1 3 . 1 1 14 14 GLY N N 14 109.155 109.155 105.568 3.587 18262 1288 1 3 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.796 0.358 18262 1289 1 3 . 1 1 14 14 GLY H H 14 8.364 8.364 8.493 -0.129 18262 1290 1 3 . 1 1 15 15 LEU N N 15 124.654 124.654 123.316 1.338 18262 1291 1 3 . 1 1 15 15 LEU HA H 15 4.337 4.337 3.885 0.452 18262 1292 1 3 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.673 -0.126 18262 1293 1 3 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.605 0.065 18262 1294 1 3 . 1 1 15 15 LEU H H 15 7.910 7.910 7.876 0.034 18262 1295 1 3 . 1 1 16 16 ALA N N 16 121.271 121.271 122.009 -0.738 18262 1296 1 3 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.090 -0.086 18262 1297 1 3 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.669 0.761 18262 1298 1 3 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.130 1.323 18262 1299 1 3 . 1 1 16 16 ALA H H 16 8.440 8.440 8.605 -0.165 18262 1300 1 3 . 1 1 17 17 GLU N N 17 117.125 117.125 119.684 -2.559 18262 1301 1 3 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.061 -0.100 18262 1302 1 3 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.617 -0.005 18262 1303 1 3 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.515 0.487 18262 1304 1 3 . 1 1 17 17 GLU H H 17 7.971 7.971 7.851 0.120 18262 1305 1 3 . 1 1 18 18 ASN N N 18 118.526 118.526 118.164 0.362 18262 1306 1 3 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.505 0.038 18262 1307 1 3 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.981 -0.685 18262 1308 1 3 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.645 -0.323 18262 1309 1 3 . 1 1 18 18 ASN H H 18 8.071 8.071 8.397 -0.326 18262 1310 1 3 . 1 1 19 19 PHE N N 19 122.197 122.197 123.322 -1.125 18262 1311 1 3 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.266 -0.391 18262 1312 1 3 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.844 0.456 18262 1313 1 3 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.195 0.304 18262 1314 1 3 . 1 1 19 19 PHE H H 19 9.658 9.658 8.991 0.667 18262 1315 1 3 . 1 1 20 20 MET N N 20 118.488 118.488 118.262 0.226 18262 1316 1 3 . 1 1 20 20 MET HA H 20 4.432 4.432 4.006 0.426 18262 1317 1 3 . 1 1 20 20 MET CA C 20 57.732 57.732 57.613 0.119 18262 1318 1 3 . 1 1 20 20 MET CB C 20 31.999 31.999 31.214 0.785 18262 1319 1 3 . 1 1 20 20 MET H H 20 8.874 8.874 8.585 0.289 18262 1320 1 3 . 1 1 21 21 ASN N N 21 118.434 118.434 118.821 -0.387 18262 1321 1 3 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.442 0.097 18262 1322 1 3 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.935 -0.667 18262 1323 1 3 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.717 -0.731 18262 1324 1 3 . 1 1 21 21 ASN H H 21 8.468 8.468 8.602 -0.134 18262 1325 1 3 . 1 1 22 22 SER N N 22 116.181 116.181 115.907 0.274 18262 1326 1 3 . 1 1 22 22 SER HA H 22 4.193 4.193 4.204 -0.011 18262 1327 1 3 . 1 1 22 22 SER CA C 22 62.195 62.195 61.927 0.268 18262 1328 1 3 . 1 1 22 22 SER CB C 22 62.997 62.997 63.111 -0.114 18262 1329 1 3 . 1 1 22 22 SER H H 22 7.936 7.936 8.215 -0.279 18262 1330 1 3 . 1 1 23 23 PHE N N 23 125.045 125.045 124.379 0.666 18262 1331 1 3 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.127 -0.113 18262 1332 1 3 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.351 -0.888 18262 1333 1 3 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.922 0.047 18262 1334 1 3 . 1 1 23 23 PHE H H 23 9.054 9.054 8.161 0.893 18262 1335 1 3 . 1 1 24 24 MET N N 24 117.336 117.336 117.755 -0.419 18262 1336 1 3 . 1 1 24 24 MET HA H 24 4.029 4.029 3.819 0.210 18262 1337 1 3 . 1 1 24 24 MET CA C 24 56.117 56.117 58.289 -2.172 18262 1338 1 3 . 1 1 24 24 MET CB C 24 30.378 30.378 31.525 -1.147 18262 1339 1 3 . 1 1 24 24 MET H H 24 8.314 8.314 8.819 -0.505 18262 1340 1 3 . 1 1 25 25 GLN N N 25 120.286 120.286 118.766 1.520 18262 1341 1 3 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.051 -0.069 18262 1342 1 3 . 1 1 25 25 GLN CA C 25 59.206 59.206 59.003 0.203 18262 1343 1 3 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.141 0.163 18262 1344 1 3 . 1 1 25 25 GLN H H 25 8.044 8.044 8.474 -0.430 18262 1345 1 3 . 1 1 26 26 GLY N N 26 107.817 107.817 107.347 0.470 18262 1346 1 3 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.404 0.614 18262 1347 1 3 . 1 1 26 26 GLY H H 26 8.101 8.101 7.903 0.198 18262 1348 1 3 . 1 1 27 27 LEU N N 27 122.926 122.926 122.821 0.105 18262 1349 1 3 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.963 -0.177 18262 1350 1 3 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.985 0.409 18262 1351 1 3 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.346 0.762 18262 1352 1 3 . 1 1 27 27 LEU H H 27 8.391 8.391 8.239 0.152 18262 1353 1 3 . 1 1 28 28 SER N N 28 109.497 109.497 112.712 -3.215 18262 1354 1 3 . 1 1 28 28 SER HA H 28 4.150 4.150 4.184 -0.034 18262 1355 1 3 . 1 1 28 28 SER CA C 28 61.223 61.223 60.926 0.297 18262 1356 1 3 . 1 1 28 28 SER CB C 28 63.390 63.390 62.986 0.404 18262 1357 1 3 . 1 1 28 28 SER H H 28 7.519 7.519 7.676 -0.157 18262 1358 1 3 . 1 1 29 29 SER N N 29 114.590 114.590 115.015 -0.425 18262 1359 1 3 . 1 1 29 29 SER HA H 29 4.739 4.739 4.435 0.304 18262 1360 1 3 . 1 1 29 29 SER CA C 29 58.035 58.035 58.586 -0.551 18262 1361 1 3 . 1 1 29 29 SER CB C 29 64.626 64.626 63.829 0.797 18262 1362 1 3 . 1 1 29 29 SER H H 29 7.451 7.451 7.588 -0.137 18262 1363 1 3 . 1 1 30 30 MET N N 30 122.408 122.408 122.471 -0.063 18262 1364 1 3 . 1 1 30 30 MET HA H 30 4.946 4.946 4.828 0.118 18262 1365 1 3 . 1 1 30 30 MET CA C 30 53.633 53.633 53.223 0.410 18262 1366 1 3 . 1 1 30 30 MET CB C 30 32.300 32.300 32.350 -0.050 18262 1367 1 3 . 1 1 30 30 MET H H 30 7.659 7.659 7.481 0.178 18262 1368 1 3 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.617 0.051 18262 1369 1 3 . 1 1 31 31 PRO CA C 31 62.950 62.950 62.951 -0.001 18262 1370 1 3 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.968 -0.155 18262 1371 1 3 . 1 1 32 32 GLY N N 32 106.245 106.245 107.451 -1.206 18262 1372 1 3 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.765 1.026 18262 1373 1 3 . 1 1 32 32 GLY H H 32 8.407 8.407 8.583 -0.176 18262 1374 1 3 . 1 1 33 33 PHE N N 33 116.330 116.330 118.713 -2.383 18262 1375 1 3 . 1 1 33 33 PHE HA H 33 5.157 5.157 5.010 0.147 18262 1376 1 3 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.284 -0.351 18262 1377 1 3 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.916 0.196 18262 1378 1 3 . 1 1 33 33 PHE H H 33 7.865 7.865 7.795 0.070 18262 1379 1 3 . 1 1 34 34 THR N N 34 113.680 113.680 113.996 -0.316 18262 1380 1 3 . 1 1 34 34 THR HA H 34 4.544 4.544 4.728 -0.184 18262 1381 1 3 . 1 1 34 34 THR CA C 34 60.409 60.409 61.158 -0.750 18262 1382 1 3 . 1 1 34 34 THR CB C 34 70.714 70.714 72.274 -1.560 18262 1383 1 3 . 1 1 34 34 THR H H 34 8.895 8.895 8.251 0.644 18262 1384 1 3 . 1 1 35 35 ALA N N 35 123.074 123.074 125.541 -2.467 18262 1385 1 3 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.100 -0.015 18262 1386 1 3 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.034 0.863 18262 1387 1 3 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.666 -0.498 18262 1388 1 3 . 1 1 35 35 ALA H H 35 8.880 8.880 8.727 0.153 18262 1389 1 3 . 1 1 36 36 SER N N 36 112.915 112.915 113.972 -1.057 18262 1390 1 3 . 1 1 36 36 SER HA H 36 4.273 4.273 4.041 0.232 18262 1391 1 3 . 1 1 36 36 SER CA C 36 61.473 61.473 61.943 -0.470 18262 1392 1 3 . 1 1 36 36 SER CB C 36 62.441 62.441 62.877 -0.436 18262 1393 1 3 . 1 1 36 36 SER H H 36 8.413 8.413 8.541 -0.128 18262 1394 1 3 . 1 1 37 37 GLN N N 37 121.627 121.627 120.702 0.925 18262 1395 1 3 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.205 0.071 18262 1396 1 3 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.540 0.168 18262 1397 1 3 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.576 0.617 18262 1398 1 3 . 1 1 37 37 GLN H H 37 7.639 7.639 7.746 -0.107 18262 1399 1 3 . 1 1 38 38 LEU N N 38 119.757 119.757 120.399 -0.642 18262 1400 1 3 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.907 -0.080 18262 1401 1 3 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.271 0.728 18262 1402 1 3 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.546 -0.520 18262 1403 1 3 . 1 1 38 38 LEU H H 38 8.351 8.351 8.034 0.317 18262 1404 1 3 . 1 1 39 39 ASP N N 39 122.097 122.097 119.467 2.630 18262 1405 1 3 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.321 0.115 18262 1406 1 3 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.568 0.212 18262 1407 1 3 . 1 1 39 39 ASP CB C 39 40.372 40.372 41.010 -0.638 18262 1408 1 3 . 1 1 39 39 ASP H H 39 7.962 7.962 8.030 -0.068 18262 1409 1 3 . 1 1 40 40 ASP N N 40 122.033 122.033 119.079 2.954 18262 1410 1 3 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.490 -0.000 18262 1411 1 3 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.515 1.375 18262 1412 1 3 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.149 -0.889 18262 1413 1 3 . 1 1 40 40 ASP H H 40 8.052 8.052 7.493 0.559 18262 1414 1 3 . 1 1 41 41 MET N N 41 121.130 121.130 118.908 2.222 18262 1415 1 3 . 1 1 41 41 MET HA H 41 4.191 4.191 4.241 -0.050 18262 1416 1 3 . 1 1 41 41 MET CA C 41 57.798 57.798 59.156 -1.358 18262 1417 1 3 . 1 1 41 41 MET CB C 41 31.529 31.529 32.454 -0.925 18262 1418 1 3 . 1 1 41 41 MET H H 41 8.708 8.708 7.794 0.914 18262 1419 1 3 . 1 1 42 42 SER N N 42 116.303 116.303 114.479 1.824 18262 1420 1 3 . 1 1 42 42 SER HA H 42 4.301 4.301 4.217 0.084 18262 1421 1 3 . 1 1 42 42 SER CA C 42 62.145 62.145 61.545 0.600 18262 1422 1 3 . 1 1 42 42 SER CB C 42 62.835 62.835 62.825 0.010 18262 1423 1 3 . 1 1 42 42 SER H H 42 8.364 8.364 7.758 0.606 18262 1424 1 3 . 1 1 43 43 THR N N 43 119.136 119.136 118.427 0.709 18262 1425 1 3 . 1 1 43 43 THR HA H 43 4.051 4.051 4.162 -0.111 18262 1426 1 3 . 1 1 43 43 THR CA C 43 66.673 66.673 66.686 -0.013 18262 1427 1 3 . 1 1 43 43 THR CB C 43 68.635 68.635 68.650 -0.015 18262 1428 1 3 . 1 1 43 43 THR H H 43 7.944 7.944 7.736 0.208 18262 1429 1 3 . 1 1 44 44 ILE N N 44 122.789 122.789 121.635 1.154 18262 1430 1 3 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.721 0.227 18262 1431 1 3 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.396 -0.749 18262 1432 1 3 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.237 0.810 18262 1433 1 3 . 1 1 44 44 ILE H H 44 7.856 7.856 7.435 0.421 18262 1434 1 3 . 1 1 45 45 ALA N N 45 124.903 124.903 120.985 3.918 18262 1435 1 3 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.173 -0.039 18262 1436 1 3 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.815 1.264 18262 1437 1 3 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.387 0.591 18262 1438 1 3 . 1 1 45 45 ALA H H 45 8.868 8.868 8.165 0.703 18262 1439 1 3 . 1 1 46 46 GLN N N 46 116.435 116.435 117.302 -0.867 18262 1440 1 3 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.270 -0.206 18262 1441 1 3 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.034 0.939 18262 1442 1 3 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.371 -1.051 18262 1443 1 3 . 1 1 46 46 GLN H H 46 8.253 8.253 7.445 0.808 18262 1444 1 3 . 1 1 47 47 SER N N 47 116.211 116.211 116.703 -0.492 18262 1445 1 3 . 1 1 47 47 SER HA H 47 4.249 4.249 4.140 0.109 18262 1446 1 3 . 1 1 47 47 SER CA C 47 61.766 61.766 61.911 -0.145 18262 1447 1 3 . 1 1 47 47 SER CB C 47 62.874 62.874 63.048 -0.174 18262 1448 1 3 . 1 1 47 47 SER H H 47 8.242 8.242 8.542 -0.300 18262 1449 1 3 . 1 1 48 48 MET N N 48 122.179 122.179 119.424 2.755 18262 1450 1 3 . 1 1 48 48 MET HA H 48 4.109 4.109 4.035 0.074 18262 1451 1 3 . 1 1 48 48 MET CA C 48 57.695 57.695 58.049 -0.354 18262 1452 1 3 . 1 1 48 48 MET CB C 48 31.370 31.370 31.628 -0.258 18262 1453 1 3 . 1 1 48 48 MET H H 48 8.198 8.198 7.781 0.417 18262 1454 1 3 . 1 1 49 49 VAL N N 49 118.918 118.918 119.314 -0.396 18262 1455 1 3 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.612 -0.333 18262 1456 1 3 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.363 1.574 18262 1457 1 3 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.427 0.126 18262 1458 1 3 . 1 1 49 49 VAL H H 49 7.791 7.791 7.492 0.299 18262 1459 1 3 . 1 1 50 50 GLN N N 50 118.407 118.407 119.021 -0.614 18262 1460 1 3 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.015 0.077 18262 1461 1 3 . 1 1 50 50 GLN CA C 50 59.126 59.126 58.632 0.494 18262 1462 1 3 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.874 0.329 18262 1463 1 3 . 1 1 50 50 GLN H H 50 8.206 8.206 7.940 0.266 18262 1464 1 3 . 1 1 51 51 SER N N 51 117.680 117.680 116.804 0.876 18262 1465 1 3 . 1 1 51 51 SER HA H 51 4.209 4.209 4.162 0.047 18262 1466 1 3 . 1 1 51 51 SER CA C 51 62.766 62.766 61.649 1.117 18262 1467 1 3 . 1 1 51 51 SER CB C 51 63.014 63.014 62.950 0.064 18262 1468 1 3 . 1 1 51 51 SER H H 51 8.394 8.394 8.162 0.232 18262 1469 1 3 . 1 1 52 52 ILE N N 52 123.233 123.233 122.152 1.081 18262 1470 1 3 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.687 -0.124 18262 1471 1 3 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.947 -0.066 18262 1472 1 3 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.454 0.417 18262 1473 1 3 . 1 1 52 52 ILE H H 52 8.135 8.135 7.654 0.481 18262 1474 1 3 . 1 1 53 53 GLN N N 53 119.911 119.911 120.398 -0.487 18262 1475 1 3 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.991 -0.066 18262 1476 1 3 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.049 0.522 18262 1477 1 3 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.010 -0.077 18262 1478 1 3 . 1 1 53 53 GLN H H 53 8.600 8.600 8.496 0.104 18262 1479 1 3 . 1 1 54 54 SER N N 54 115.414 115.414 115.563 -0.149 18262 1480 1 3 . 1 1 54 54 SER HA H 54 4.308 4.308 4.198 0.110 18262 1481 1 3 . 1 1 54 54 SER CA C 54 61.468 61.468 61.668 -0.200 18262 1482 1 3 . 1 1 54 54 SER CB C 54 62.950 62.950 62.898 0.053 18262 1483 1 3 . 1 1 54 54 SER H H 54 8.304 8.304 8.337 -0.033 18262 1484 1 3 . 1 1 55 55 LEU N N 55 121.576 121.576 123.375 -1.799 18262 1485 1 3 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.153 -0.088 18262 1486 1 3 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.276 0.438 18262 1487 1 3 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.569 0.784 18262 1488 1 3 . 1 1 55 55 LEU H H 55 7.881 7.881 7.524 0.357 18262 1489 1 3 . 1 1 56 56 ALA N N 56 121.244 121.244 120.360 0.884 18262 1490 1 3 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.150 0.082 18262 1491 1 3 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.216 0.185 18262 1492 1 3 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.401 -0.139 18262 1493 1 3 . 1 1 56 56 ALA H H 56 8.007 8.007 8.465 -0.458 18262 1494 1 3 . 1 1 57 57 ALA N N 57 121.370 121.370 121.435 -0.065 18262 1495 1 3 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.100 0.113 18262 1496 1 3 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.319 0.197 18262 1497 1 3 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.614 -0.074 18262 1498 1 3 . 1 1 57 57 ALA H H 57 8.026 8.026 7.702 0.324 18262 1499 1 3 . 1 1 58 58 GLN N N 58 114.464 114.464 116.917 -2.453 18262 1500 1 3 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.199 0.145 18262 1501 1 3 . 1 1 58 58 GLN CA C 58 56.027 56.027 56.269 -0.242 18262 1502 1 3 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.367 0.320 18262 1503 1 3 . 1 1 58 58 GLN H H 58 7.759 7.759 7.837 -0.078 18262 1504 1 3 . 1 1 59 59 GLY N N 59 108.318 108.318 109.613 -1.295 18262 1505 1 3 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.795 1.341 18262 1506 1 3 . 1 1 59 59 GLY H H 59 7.905 7.905 8.450 -0.545 18262 1507 1 3 . 1 1 60 60 ARG N N 60 118.325 118.325 125.482 -7.157 18262 1508 1 3 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.318 0.208 18262 1509 1 3 . 1 1 60 60 ARG CA C 60 55.728 55.728 57.018 -1.290 18262 1510 1 3 . 1 1 60 60 ARG CB C 60 31.690 31.690 30.000 1.690 18262 1511 1 3 . 1 1 60 60 ARG H H 60 8.097 8.097 8.013 0.084 18262 1512 1 3 . 1 1 61 61 THR N N 61 116.640 116.640 120.090 -3.450 18262 1513 1 3 . 1 1 61 61 THR HA H 61 4.782 4.782 4.451 0.331 18262 1514 1 3 . 1 1 61 61 THR CA C 61 63.339 63.339 61.836 1.504 18262 1515 1 3 . 1 1 61 61 THR CB C 61 68.819 68.819 70.347 -1.528 18262 1516 1 3 . 1 1 61 61 THR H H 61 8.038 8.038 8.389 -0.351 18262 1517 1 3 . 1 1 62 62 SER N N 62 119.882 119.882 115.682 4.200 18262 1518 1 3 . 1 1 62 62 SER HA H 62 4.899 4.899 4.376 0.523 18262 1519 1 3 . 1 1 62 62 SER CA C 62 56.263 56.263 58.600 -2.337 18262 1520 1 3 . 1 1 62 62 SER CB C 62 63.827 63.827 63.206 0.621 18262 1521 1 3 . 1 1 62 62 SER H H 62 7.792 7.792 8.211 -0.419 18262 1522 1 3 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.236 0.063 18262 1523 1 3 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.344 0.472 18262 1524 1 3 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.909 0.308 18262 1525 1 3 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.548 -0.001 18262 1526 1 3 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.864 0.332 18262 1527 1 3 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.950 0.120 18262 1528 1 3 . 1 1 65 65 LYS N N 65 121.063 121.063 119.746 1.317 18262 1529 1 3 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.178 0.004 18262 1530 1 3 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.439 0.113 18262 1531 1 3 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.320 0.387 18262 1532 1 3 . 1 1 65 65 LYS H H 65 7.762 7.762 8.044 -0.282 18262 1533 1 3 . 1 1 66 66 LEU N N 66 119.082 119.082 118.824 0.258 18262 1534 1 3 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.358 -0.295 18262 1535 1 3 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.659 0.339 18262 1536 1 3 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.877 0.584 18262 1537 1 3 . 1 1 66 66 LEU H H 66 7.934 7.934 7.416 0.518 18262 1538 1 3 . 1 1 67 67 GLN N N 67 119.220 119.220 115.347 3.873 18262 1539 1 3 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.416 -0.209 18262 1540 1 3 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.596 2.491 18262 1541 1 3 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.160 0.056 18262 1542 1 3 . 1 1 67 67 GLN H H 67 8.201 8.201 7.544 0.657 18262 1543 1 3 . 1 1 68 68 ALA N N 68 121.749 121.749 121.716 0.033 18262 1544 1 3 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.466 -0.287 18262 1545 1 3 . 1 1 68 68 ALA CA C 68 55.275 55.275 53.877 1.398 18262 1546 1 3 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.577 -2.472 18262 1547 1 3 . 1 1 68 68 ALA H H 68 7.739 7.739 7.881 -0.142 18262 1548 1 3 . 1 1 69 69 LEU N N 69 120.591 120.591 119.364 1.227 18262 1549 1 3 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.914 0.081 18262 1550 1 3 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.488 0.486 18262 1551 1 3 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.241 0.097 18262 1552 1 3 . 1 1 69 69 LEU H H 69 7.888 7.888 8.573 -0.685 18262 1553 1 3 . 1 1 70 70 ASN N N 70 119.586 119.586 118.618 0.968 18262 1554 1 3 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.264 -0.733 18262 1555 1 3 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.477 0.543 18262 1556 1 3 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.151 0.697 18262 1557 1 3 . 1 1 70 70 ASN H H 70 8.356 8.356 8.168 0.188 18262 1558 1 3 . 1 1 71 71 MET N N 71 117.354 117.354 115.863 1.491 18262 1559 1 3 . 1 1 71 71 MET HA H 71 4.271 4.271 4.744 -0.473 18262 1560 1 3 . 1 1 71 71 MET CA C 71 59.088 59.088 57.603 1.485 18262 1561 1 3 . 1 1 71 71 MET CB C 71 32.746 32.746 32.517 0.229 18262 1562 1 3 . 1 1 71 71 MET H H 71 8.207 8.207 7.506 0.701 18262 1563 1 3 . 1 1 72 72 ALA N N 72 123.354 123.354 124.688 -1.334 18262 1564 1 3 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.926 0.148 18262 1565 1 3 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.190 -0.063 18262 1566 1 3 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.400 -0.243 18262 1567 1 3 . 1 1 72 72 ALA H H 72 8.075 8.075 7.662 0.413 18262 1568 1 3 . 1 1 73 73 PHE N N 73 120.968 120.968 116.622 4.346 18262 1569 1 3 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.261 0.257 18262 1570 1 3 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.526 0.906 18262 1571 1 3 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.044 1.553 18262 1572 1 3 . 1 1 73 73 PHE H H 73 8.546 8.546 7.937 0.609 18262 1573 1 3 . 1 1 74 74 ALA N N 74 119.865 119.865 122.966 -3.101 18262 1574 1 3 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.569 0.172 18262 1575 1 3 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.370 1.024 18262 1576 1 3 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.546 2.864 18262 1577 1 3 . 1 1 74 74 ALA H H 74 8.593 8.593 7.352 1.241 18262 1578 1 3 . 1 1 75 75 SER N N 75 112.870 112.870 114.246 -1.376 18262 1579 1 3 . 1 1 75 75 SER HA H 75 3.581 3.581 3.969 -0.388 18262 1580 1 3 . 1 1 75 75 SER CA C 75 61.879 61.879 61.521 0.358 18262 1581 1 3 . 1 1 75 75 SER CB C 75 62.010 62.010 62.422 -0.412 18262 1582 1 3 . 1 1 75 75 SER H H 75 8.501 8.501 7.660 0.841 18262 1583 1 3 . 1 1 76 76 SER N N 76 118.492 118.492 118.420 0.072 18262 1584 1 3 . 1 1 76 76 SER HA H 76 4.301 4.301 4.435 -0.134 18262 1585 1 3 . 1 1 76 76 SER CA C 76 62.748 62.748 61.685 1.063 18262 1586 1 3 . 1 1 76 76 SER CB C 76 63.013 63.013 62.902 0.111 18262 1587 1 3 . 1 1 76 76 SER H H 76 8.152 8.152 7.537 0.615 18262 1588 1 3 . 1 1 77 77 MET N N 77 120.358 120.358 121.379 -1.021 18262 1589 1 3 . 1 1 77 77 MET HA H 77 3.999 3.999 4.094 -0.095 18262 1590 1 3 . 1 1 77 77 MET CA C 77 60.024 60.024 59.648 0.376 18262 1591 1 3 . 1 1 77 77 MET CB C 77 34.657 34.657 32.456 2.201 18262 1592 1 3 . 1 1 77 77 MET H H 77 8.130 8.130 8.304 -0.174 18262 1593 1 3 . 1 1 78 78 ALA N N 78 121.547 121.547 122.171 -0.624 18262 1594 1 3 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.032 -0.106 18262 1595 1 3 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.478 0.118 18262 1596 1 3 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.871 2.528 18262 1597 1 3 . 1 1 78 78 ALA H H 78 8.534 8.534 8.179 0.355 18262 1598 1 3 . 1 1 79 79 GLU N N 79 116.654 116.654 117.178 -0.524 18262 1599 1 3 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.089 -0.109 18262 1600 1 3 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.821 0.581 18262 1601 1 3 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.746 0.077 18262 1602 1 3 . 1 1 79 79 GLU H H 79 7.557 7.557 7.625 -0.068 18262 1603 1 3 . 1 1 80 80 ILE N N 80 118.293 118.293 117.936 0.357 18262 1604 1 3 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.004 -0.046 18262 1605 1 3 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.003 -0.218 18262 1606 1 3 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.436 -0.129 18262 1607 1 3 . 1 1 80 80 ILE H H 80 7.239 7.239 7.422 -0.183 18262 1608 1 3 . 1 1 81 81 ALA N N 81 121.511 121.511 123.086 -1.575 18262 1609 1 3 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.034 -0.074 18262 1610 1 3 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.565 0.173 18262 1611 1 3 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.594 -0.637 18262 1612 1 3 . 1 1 81 81 ALA H H 81 8.595 8.595 8.380 0.215 18262 1613 1 3 . 1 1 82 82 ALA N N 82 116.183 116.183 117.600 -1.417 18262 1614 1 3 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.514 -0.226 18262 1615 1 3 . 1 1 82 82 ALA CA C 82 52.601 52.601 50.694 1.907 18262 1616 1 3 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.882 0.512 18262 1617 1 3 . 1 1 82 82 ALA H H 82 8.001 8.001 7.833 0.168 18262 1618 1 3 . 1 1 83 83 SER N N 83 113.212 113.212 114.732 -1.520 18262 1619 1 3 . 1 1 83 83 SER HA H 83 4.319 4.319 4.456 -0.137 18262 1620 1 3 . 1 1 83 83 SER CA C 83 59.243 59.243 57.303 1.940 18262 1621 1 3 . 1 1 83 83 SER CB C 83 63.971 63.971 63.862 0.109 18262 1622 1 3 . 1 1 83 83 SER H H 83 7.391 7.391 7.425 -0.034 18262 1623 1 3 . 1 1 84 84 GLU N N 84 123.385 123.385 128.534 -5.149 18262 1624 1 3 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.495 -0.064 18262 1625 1 3 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.451 0.205 18262 1626 1 3 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.837 0.739 18262 1627 1 3 . 1 1 84 84 GLU H H 84 8.421 8.421 8.839 -0.418 18262 1628 1 3 . 1 1 85 85 GLU N N 85 121.674 121.674 127.253 -5.579 18262 1629 1 3 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.536 -0.262 18262 1630 1 3 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.211 1.916 18262 1631 1 3 . 1 1 85 85 GLU CB C 85 30.191 30.191 29.877 0.314 18262 1632 1 3 . 1 1 85 85 GLU H H 85 8.407 8.407 8.634 -0.227 18262 1633 1 3 . 1 1 86 86 GLY N N 86 110.617 110.617 106.278 4.339 18262 1634 1 3 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.222 0.502 18262 1635 1 3 . 1 1 86 86 GLY H H 86 8.564 8.564 8.841 -0.277 18262 1636 1 3 . 1 1 87 87 GLY N N 87 108.562 108.562 106.543 2.019 18262 1637 1 3 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.694 0.772 18262 1638 1 3 . 1 1 87 87 GLY H H 87 8.257 8.257 8.960 -0.703 18262 1639 1 3 . 1 1 88 88 GLY N N 88 107.890 107.890 107.892 -0.002 18262 1640 1 3 . 1 1 88 88 GLY CA C 88 44.884 44.884 43.901 0.983 18262 1641 1 3 . 1 1 88 88 GLY H H 88 8.100 8.100 8.449 -0.349 18262 1642 1 3 . 1 1 89 89 SER N N 89 115.889 115.889 115.930 -0.041 18262 1643 1 3 . 1 1 89 89 SER HA H 89 4.594 4.594 4.236 0.358 18262 1644 1 3 . 1 1 89 89 SER CA C 89 57.382 57.382 58.567 -1.185 18262 1645 1 3 . 1 1 89 89 SER CB C 89 65.271 65.271 63.339 1.932 18262 1646 1 3 . 1 1 89 89 SER H H 89 8.474 8.474 7.622 0.852 18262 1647 1 3 . 1 1 90 90 LEU N N 90 124.688 124.688 129.768 -5.080 18262 1648 1 3 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.128 -0.004 18262 1649 1 3 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.148 1.411 18262 1650 1 3 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.129 -0.711 18262 1651 1 3 . 1 1 90 90 LEU H H 90 8.867 8.867 8.759 0.108 18262 1652 1 3 . 1 1 91 91 SER N N 91 114.045 114.045 114.688 -0.643 18262 1653 1 3 . 1 1 91 91 SER CA C 91 61.331 61.331 61.487 -0.156 18262 1654 1 3 . 1 1 91 91 SER CB C 91 62.080 62.080 63.152 -1.072 18262 1655 1 3 . 1 1 91 91 SER H H 91 8.501 8.501 8.215 0.286 18262 1656 1 3 . 1 1 92 92 THR N N 92 121.036 121.036 116.283 4.753 18262 1657 1 3 . 1 1 92 92 THR HA H 92 4.006 4.006 4.217 -0.211 18262 1658 1 3 . 1 1 92 92 THR CA C 92 66.537 66.537 65.622 0.915 18262 1659 1 3 . 1 1 92 92 THR CB C 92 68.326 68.326 68.514 -0.189 18262 1660 1 3 . 1 1 92 92 THR H H 92 7.818 7.818 7.738 0.080 18262 1661 1 3 . 1 1 93 93 LYS N N 93 120.426 120.426 122.605 -2.179 18262 1662 1 3 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.915 -0.126 18262 1663 1 3 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.247 1.867 18262 1664 1 3 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.651 1.818 18262 1665 1 3 . 1 1 93 93 LYS H H 93 8.146 8.146 7.409 0.737 18262 1666 1 3 . 1 1 94 94 THR N N 94 111.775 111.775 112.258 -0.483 18262 1667 1 3 . 1 1 94 94 THR HA H 94 3.933 3.933 4.100 -0.167 18262 1668 1 3 . 1 1 94 94 THR CA C 94 67.228 67.228 66.125 1.103 18262 1669 1 3 . 1 1 94 94 THR CB C 94 68.083 68.083 68.432 -0.349 18262 1670 1 3 . 1 1 94 94 THR H H 94 8.881 8.881 8.059 0.822 18262 1671 1 3 . 1 1 95 95 SER N N 95 119.066 119.066 118.130 0.936 18262 1672 1 3 . 1 1 95 95 SER HA H 95 4.397 4.397 4.248 0.149 18262 1673 1 3 . 1 1 95 95 SER CA C 95 62.060 62.060 61.776 0.284 18262 1674 1 3 . 1 1 95 95 SER CB C 95 62.693 62.693 62.789 -0.096 18262 1675 1 3 . 1 1 95 95 SER H H 95 8.134 8.134 7.824 0.310 18262 1676 1 3 . 1 1 96 96 SER N N 96 121.588 121.588 118.451 3.137 18262 1677 1 3 . 1 1 96 96 SER HA H 96 4.462 4.462 4.335 0.127 18262 1678 1 3 . 1 1 96 96 SER CA C 96 62.623 62.623 61.716 0.907 18262 1679 1 3 . 1 1 96 96 SER CB C 96 62.866 62.866 63.360 -0.494 18262 1680 1 3 . 1 1 96 96 SER H H 96 8.642 8.642 7.850 0.792 18262 1681 1 3 . 1 1 97 97 ILE N N 97 122.467 122.467 124.027 -1.560 18262 1682 1 3 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.752 0.045 18262 1683 1 3 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.733 1.101 18262 1684 1 3 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.721 0.994 18262 1685 1 3 . 1 1 97 97 ILE H H 97 8.482 8.482 8.503 -0.021 18262 1686 1 3 . 1 1 98 98 ALA N N 98 122.100 122.100 120.883 1.217 18262 1687 1 3 . 1 1 98 98 ALA HA H 98 4.054 4.054 3.997 0.057 18262 1688 1 3 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.218 1.010 18262 1689 1 3 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.050 0.367 18262 1690 1 3 . 1 1 98 98 ALA H H 98 8.437 8.437 7.954 0.483 18262 1691 1 3 . 1 1 99 99 SER N N 99 115.737 115.737 113.989 1.748 18262 1692 1 3 . 1 1 99 99 SER HA H 99 4.366 4.366 4.293 0.074 18262 1693 1 3 . 1 1 99 99 SER CA C 99 62.029 62.029 60.440 1.589 18262 1694 1 3 . 1 1 99 99 SER CB C 99 63.230 63.230 62.967 0.264 18262 1695 1 3 . 1 1 99 99 SER H H 99 8.658 8.658 7.591 1.067 18262 1696 1 3 . 1 1 100 100 ALA N N 100 124.292 124.292 125.097 -0.805 18262 1697 1 3 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.932 0.313 18262 1698 1 3 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.384 0.007 18262 1699 1 3 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.267 0.225 18262 1700 1 3 . 1 1 100 100 ALA H H 100 8.976 8.976 8.554 0.422 18262 1701 1 3 . 1 1 101 101 MET N N 101 119.143 119.143 117.112 2.031 18262 1702 1 3 . 1 1 101 101 MET HA H 101 4.054 4.054 4.123 -0.069 18262 1703 1 3 . 1 1 101 101 MET CA C 101 61.026 61.026 59.593 1.433 18262 1704 1 3 . 1 1 101 101 MET CB C 101 34.483 34.483 32.649 1.834 18262 1705 1 3 . 1 1 101 101 MET H H 101 9.063 9.063 8.106 0.957 18262 1706 1 3 . 1 1 102 102 SER N N 102 116.778 116.778 116.154 0.624 18262 1707 1 3 . 1 1 102 102 SER HA H 102 4.363 4.363 4.189 0.174 18262 1708 1 3 . 1 1 102 102 SER CA C 102 63.348 63.348 62.214 1.134 18262 1709 1 3 . 1 1 102 102 SER CB C 102 62.593 62.593 63.143 -0.550 18262 1710 1 3 . 1 1 102 102 SER H H 102 8.693 8.693 7.908 0.785 18262 1711 1 3 . 1 1 103 103 ASN N N 103 117.982 117.982 120.013 -2.031 18262 1712 1 3 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.510 -0.046 18262 1713 1 3 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.203 0.459 18262 1714 1 3 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.537 -0.020 18262 1715 1 3 . 1 1 103 103 ASN H H 103 8.108 8.108 8.502 -0.394 18262 1716 1 3 . 1 1 104 104 ALA N N 104 122.272 122.272 122.469 -0.197 18262 1717 1 3 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.095 0.145 18262 1718 1 3 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.087 -0.244 18262 1719 1 3 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.323 -0.090 18262 1720 1 3 . 1 1 104 104 ALA H H 104 7.892 7.892 8.027 -0.135 18262 1721 1 3 . 1 1 105 105 PHE N N 105 119.096 119.096 118.598 0.498 18262 1722 1 3 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.677 -0.277 18262 1723 1 3 . 1 1 105 105 PHE CA C 105 63.843 63.843 58.981 4.862 18262 1724 1 3 . 1 1 105 105 PHE CB C 105 39.487 39.487 38.907 0.580 18262 1725 1 3 . 1 1 105 105 PHE H H 105 8.580 8.580 8.631 -0.051 18262 1726 1 3 . 1 1 106 106 LEU N N 106 121.540 121.540 119.328 2.212 18262 1727 1 3 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.123 -0.387 18262 1728 1 3 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.801 1.355 18262 1729 1 3 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.739 -0.404 18262 1730 1 3 . 1 1 106 106 LEU H H 106 8.226 8.226 7.708 0.518 18262 1731 1 3 . 1 1 107 107 GLN N N 107 114.603 114.603 117.493 -2.890 18262 1732 1 3 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.239 -0.049 18262 1733 1 3 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.860 -0.442 18262 1734 1 3 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.593 0.898 18262 1735 1 3 . 1 1 107 107 GLN H H 107 8.132 8.132 8.101 0.031 18262 1736 1 3 . 1 1 108 108 THR N N 108 108.290 108.290 111.967 -3.677 18262 1737 1 3 . 1 1 108 108 THR HA H 108 4.518 4.518 4.359 0.159 18262 1738 1 3 . 1 1 108 108 THR CA C 108 62.483 62.483 64.351 -1.868 18262 1739 1 3 . 1 1 108 108 THR CB C 108 70.390 70.390 69.017 1.373 18262 1740 1 3 . 1 1 108 108 THR H H 108 7.726 7.726 7.613 0.113 18262 1741 1 3 . 1 1 109 109 THR N N 109 113.407 113.407 113.485 -0.078 18262 1742 1 3 . 1 1 109 109 THR HA H 109 4.586 4.586 4.400 0.186 18262 1743 1 3 . 1 1 109 109 THR CA C 109 62.325 62.325 61.930 0.395 18262 1744 1 3 . 1 1 109 109 THR CB C 109 70.696 70.696 70.529 0.167 18262 1745 1 3 . 1 1 109 109 THR H H 109 8.907 8.907 7.707 1.200 18262 1746 1 3 . 1 1 110 110 GLY N N 110 109.267 109.267 111.298 -2.031 18262 1747 1 3 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.108 0.460 18262 1748 1 3 . 1 1 110 110 GLY H H 110 8.361 8.361 8.381 -0.020 18262 1749 1 3 . 1 1 111 111 VAL N N 111 119.375 119.375 121.455 -2.080 18262 1750 1 3 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.254 0.001 18262 1751 1 3 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.136 -0.254 18262 1752 1 3 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.013 2.423 18262 1753 1 3 . 1 1 111 111 VAL H H 111 7.784 7.784 7.572 0.212 18262 1754 1 3 . 1 1 112 112 VAL N N 112 125.327 125.327 125.465 -0.138 18262 1755 1 3 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.603 -1.391 18262 1756 1 3 . 1 1 112 112 VAL CA C 112 64.479 64.479 61.099 3.380 18262 1757 1 3 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.601 -0.905 18262 1758 1 3 . 1 1 112 112 VAL H H 112 8.747 8.747 8.396 0.351 18262 1759 1 3 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.893 -0.391 18262 1760 1 3 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.855 -1.662 18262 1761 1 3 . 1 1 113 113 ASN CB C 113 37.122 37.122 39.087 -1.964 18262 1762 1 3 . 1 1 114 114 GLN N N 114 124.067 124.067 129.017 -4.950 18262 1763 1 3 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.303 -0.366 18262 1764 1 3 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.345 -0.927 18262 1765 1 3 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.937 -0.390 18262 1766 1 3 . 1 1 114 114 GLN H H 114 8.394 8.394 8.776 -0.382 18262 1767 1 3 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.174 0.076 18262 1768 1 3 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.241 0.431 18262 1769 1 3 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.206 0.094 18262 1770 1 3 . 1 1 116 116 PHE N N 116 117.820 117.820 118.649 -0.829 18262 1771 1 3 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.194 0.008 18262 1772 1 3 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.533 -0.202 18262 1773 1 3 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.934 0.585 18262 1774 1 3 . 1 1 116 116 PHE H H 116 7.268 7.268 8.466 -1.198 18262 1775 1 3 . 1 1 117 117 ILE N N 117 119.434 119.434 119.506 -0.072 18262 1776 1 3 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.300 0.234 18262 1777 1 3 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.075 0.672 18262 1778 1 3 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.448 0.747 18262 1779 1 3 . 1 1 117 117 ILE H H 117 7.641 7.641 8.019 -0.378 18262 1780 1 3 . 1 1 118 118 ASN N N 118 119.834 119.834 119.456 0.378 18262 1781 1 3 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.469 -0.156 18262 1782 1 3 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.773 -0.072 18262 1783 1 3 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.897 -0.376 18262 1784 1 3 . 1 1 118 118 ASN H H 118 8.985 8.985 8.572 0.413 18262 1785 1 3 . 1 1 119 119 GLU N N 119 121.164 121.164 121.289 -0.125 18262 1786 1 3 . 1 1 119 119 GLU HA H 119 4.023 4.023 3.987 0.036 18262 1787 1 3 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.582 0.055 18262 1788 1 3 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.752 -0.036 18262 1789 1 3 . 1 1 119 119 GLU H H 119 8.090 8.090 8.289 -0.199 18262 1790 1 3 . 1 1 120 120 ILE N N 120 117.906 117.906 118.365 -0.459 18262 1791 1 3 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.677 0.077 18262 1792 1 3 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.231 -1.263 18262 1793 1 3 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.565 -0.751 18262 1794 1 3 . 1 1 120 120 ILE H H 120 8.025 8.025 8.422 -0.397 18262 1795 1 3 . 1 1 121 121 THR N N 121 112.720 112.720 113.192 -0.472 18262 1796 1 3 . 1 1 121 121 THR HA H 121 3.767 3.767 3.930 -0.163 18262 1797 1 3 . 1 1 121 121 THR CA C 121 67.203 67.203 66.479 0.724 18262 1798 1 3 . 1 1 121 121 THR CB C 121 68.380 68.380 68.191 0.189 18262 1799 1 3 . 1 1 121 121 THR H H 121 8.665 8.665 7.983 0.682 18262 1800 1 3 . 1 1 122 122 GLN N N 122 123.165 123.165 121.248 1.917 18262 1801 1 3 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.188 -0.100 18262 1802 1 3 . 1 1 122 122 GLN CA C 122 59.262 59.262 57.998 1.264 18262 1803 1 3 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.068 0.093 18262 1804 1 3 . 1 1 122 122 GLN H H 122 8.128 8.128 7.579 0.549 18262 1805 1 3 . 1 1 123 123 LEU N N 123 120.702 120.702 121.213 -0.511 18262 1806 1 3 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.671 0.252 18262 1807 1 3 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.114 0.004 18262 1808 1 3 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.631 1.359 18262 1809 1 3 . 1 1 123 123 LEU H H 123 8.173 8.173 8.287 -0.114 18262 1810 1 3 . 1 1 124 124 VAL N N 124 118.840 118.840 119.203 -0.363 18262 1811 1 3 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.709 -0.094 18262 1812 1 3 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.865 0.459 18262 1813 1 3 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.404 0.149 18262 1814 1 3 . 1 1 124 124 VAL H H 124 8.742 8.742 8.650 0.092 18262 1815 1 3 . 1 1 125 125 SER N N 125 112.613 112.613 114.668 -2.055 18262 1816 1 3 . 1 1 125 125 SER HA H 125 4.050 4.050 4.070 -0.020 18262 1817 1 3 . 1 1 125 125 SER CA C 125 62.568 62.568 61.489 1.079 18262 1818 1 3 . 1 1 125 125 SER CB C 125 62.960 62.960 62.975 -0.015 18262 1819 1 3 . 1 1 125 125 SER H H 125 7.883 7.883 7.757 0.126 18262 1820 1 3 . 1 1 126 126 MET N N 126 120.939 120.939 121.488 -0.549 18262 1821 1 3 . 1 1 126 126 MET HA H 126 4.052 4.052 4.132 -0.080 18262 1822 1 3 . 1 1 126 126 MET CA C 126 59.009 59.009 57.445 1.564 18262 1823 1 3 . 1 1 126 126 MET CB C 126 32.780 32.780 31.995 0.785 18262 1824 1 3 . 1 1 126 126 MET H H 126 8.091 8.091 7.527 0.564 18262 1825 1 3 . 1 1 127 127 PHE N N 127 118.732 118.732 117.461 1.271 18262 1826 1 3 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.246 0.219 18262 1827 1 3 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.255 0.341 18262 1828 1 3 . 1 1 127 127 PHE CB C 127 38.911 38.911 38.177 0.734 18262 1829 1 3 . 1 1 127 127 PHE H H 127 8.755 8.755 8.125 0.630 18262 1830 1 3 . 1 1 128 128 ALA N N 128 121.647 121.647 120.388 1.259 18262 1831 1 3 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.148 0.069 18262 1832 1 3 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.039 0.465 18262 1833 1 3 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.762 0.795 18262 1834 1 3 . 1 1 128 128 ALA H H 128 8.638 8.638 8.087 0.551 18262 1835 1 3 . 1 1 129 129 GLN N N 129 115.892 115.892 117.829 -1.937 18262 1836 1 3 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.211 0.012 18262 1837 1 3 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.748 -0.508 18262 1838 1 3 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.831 -0.454 18262 1839 1 3 . 1 1 129 129 GLN H H 129 7.789 7.789 7.528 0.261 18262 1840 1 3 . 1 1 130 130 ALA N N 130 122.349 122.349 120.456 1.893 18262 1841 1 3 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.022 0.249 18262 1842 1 3 . 1 1 130 130 ALA CA C 130 53.907 53.907 53.160 0.747 18262 1843 1 3 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.370 1.615 18262 1844 1 3 . 1 1 130 130 ALA H H 130 7.791 7.791 8.567 -0.776 18262 1845 1 3 . 1 1 131 131 GLY N N 131 106.497 106.497 103.231 3.266 18262 1846 1 3 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.129 0.643 18262 1847 1 3 . 1 1 131 131 GLY H H 131 8.157 8.157 8.488 -0.331 18262 1848 1 3 . 1 1 132 132 MET N N 132 119.229 119.229 120.164 -0.935 18262 1849 1 3 . 1 1 132 132 MET HA H 132 4.473 4.473 4.542 -0.069 18262 1850 1 3 . 1 1 132 132 MET CA C 132 55.973 55.973 54.809 1.163 18262 1851 1 3 . 1 1 132 132 MET CB C 132 33.129 33.129 33.156 -0.027 18262 1852 1 3 . 1 1 132 132 MET H H 132 7.929 7.929 8.121 -0.192 18262 1853 1 3 . 1 1 133 133 ASN N N 133 118.982 118.982 120.346 -1.364 18262 1854 1 3 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.886 -0.145 18262 1855 1 3 . 1 1 133 133 ASN CA C 133 53.368 53.368 52.986 0.382 18262 1856 1 3 . 1 1 133 133 ASN CB C 133 39.349 39.349 40.219 -0.870 18262 1857 1 3 . 1 1 133 133 ASN H H 133 8.334 8.334 8.422 -0.088 18262 1858 1 3 . 1 1 134 134 ASP N N 134 120.983 120.983 126.481 -5.498 18262 1859 1 3 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.593 0.050 18262 1860 1 3 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.200 1.307 18262 1861 1 3 . 1 1 134 134 ASP CB C 134 41.283 41.283 39.348 1.935 18262 1862 1 3 . 1 1 134 134 ASP H H 134 8.282 8.282 8.694 -0.412 18262 1863 1 3 . 1 1 135 135 VAL N N 135 119.922 119.922 123.374 -3.452 18262 1864 1 3 . 1 1 135 135 VAL HA H 135 4.197 4.197 3.878 0.319 18262 1865 1 3 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.721 -1.394 18262 1866 1 3 . 1 1 135 135 VAL CB C 135 32.714 32.714 31.928 0.786 18262 1867 1 3 . 1 1 135 135 VAL H H 135 8.080 8.080 8.143 -0.063 18262 1868 1 3 . 1 1 136 136 SER N N 136 119.994 119.994 122.323 -2.329 18262 1869 1 3 . 1 1 136 136 SER HA H 136 4.459 4.459 4.142 0.317 18262 1870 1 3 . 1 1 136 136 SER CA C 136 58.412 58.412 58.376 0.036 18262 1871 1 3 . 1 1 136 136 SER CB C 136 64.068 64.068 62.772 1.296 18262 1872 1 3 . 1 1 136 136 SER H H 136 8.397 8.397 8.934 -0.537 18262 1873 1 4 . 1 1 3 3 GLY CA C 3 45.270 45.270 45.072 0.198 18262 1874 1 4 . 1 1 4 4 ASN N N 4 124.122 124.122 119.391 4.731 18262 1875 1 4 . 1 1 4 4 ASN CA C 4 54.827 54.827 54.218 0.609 18262 1876 1 4 . 1 1 4 4 ASN H H 4 7.979 7.979 8.351 -0.372 18262 1877 1 4 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.551 0.141 18262 1878 1 4 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.771 0.297 18262 1879 1 4 . 1 1 6 6 HIS CB C 6 31.102 31.102 28.722 2.380 18262 1880 1 4 . 1 1 7 7 THR N N 7 115.462 115.462 121.962 -6.500 18262 1881 1 4 . 1 1 7 7 THR HA H 7 4.312 4.312 4.341 -0.029 18262 1882 1 4 . 1 1 7 7 THR CA C 7 62.316 62.316 61.008 1.308 18262 1883 1 4 . 1 1 7 7 THR CB C 7 69.849 69.849 70.644 -0.795 18262 1884 1 4 . 1 1 7 7 THR H H 7 8.132 8.132 7.579 0.553 18262 1885 1 4 . 1 1 8 8 THR N N 8 115.752 115.752 119.806 -4.054 18262 1886 1 4 . 1 1 8 8 THR HA H 8 4.164 4.164 4.128 0.036 18262 1887 1 4 . 1 1 8 8 THR CA C 8 58.419 58.419 59.289 -0.870 18262 1888 1 4 . 1 1 8 8 THR CB C 8 69.385 69.385 68.566 0.819 18262 1889 1 4 . 1 1 8 8 THR H H 8 7.981 7.981 8.138 -0.157 18262 1890 1 4 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.040 -0.088 18262 1891 1 4 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.734 -0.699 18262 1892 1 4 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.457 0.202 18262 1893 1 4 . 1 1 10 10 TRP N N 10 111.703 111.703 115.352 -3.649 18262 1894 1 4 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.620 0.276 18262 1895 1 4 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.965 -1.496 18262 1896 1 4 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.761 2.485 18262 1897 1 4 . 1 1 10 10 TRP H H 10 6.710 6.710 6.969 -0.259 18262 1898 1 4 . 1 1 11 11 THR N N 11 106.459 106.459 114.175 -7.716 18262 1899 1 4 . 1 1 11 11 THR HA H 11 3.893 3.893 4.131 -0.238 18262 1900 1 4 . 1 1 11 11 THR CA C 11 64.050 64.050 64.439 -0.389 18262 1901 1 4 . 1 1 11 11 THR CB C 11 69.312 69.312 68.854 0.458 18262 1902 1 4 . 1 1 11 11 THR H H 11 7.197 7.197 7.624 -0.427 18262 1903 1 4 . 1 1 12 12 ASN N N 12 116.465 116.465 118.614 -2.149 18262 1904 1 4 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.191 -0.083 18262 1905 1 4 . 1 1 12 12 ASN CA C 12 51.325 51.325 51.640 -0.315 18262 1906 1 4 . 1 1 12 12 ASN CB C 12 40.629 40.629 41.053 -0.424 18262 1907 1 4 . 1 1 12 12 ASN H H 12 7.285 7.285 7.350 -0.065 18262 1908 1 4 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.286 -0.087 18262 1909 1 4 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.917 -0.406 18262 1910 1 4 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.072 0.480 18262 1911 1 4 . 1 1 14 14 GLY N N 14 109.155 109.155 106.712 2.443 18262 1912 1 4 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.723 0.431 18262 1913 1 4 . 1 1 14 14 GLY H H 14 8.364 8.364 8.518 -0.154 18262 1914 1 4 . 1 1 15 15 LEU N N 15 124.654 124.654 123.231 1.423 18262 1915 1 4 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.175 0.162 18262 1916 1 4 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.693 0.854 18262 1917 1 4 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.542 0.128 18262 1918 1 4 . 1 1 15 15 LEU H H 15 7.910 7.910 7.782 0.128 18262 1919 1 4 . 1 1 16 16 ALA N N 16 121.271 121.271 122.335 -1.064 18262 1920 1 4 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.015 -0.011 18262 1921 1 4 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.516 0.914 18262 1922 1 4 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.199 1.254 18262 1923 1 4 . 1 1 16 16 ALA H H 16 8.440 8.440 8.624 -0.184 18262 1924 1 4 . 1 1 17 17 GLU N N 17 117.125 117.125 119.544 -2.419 18262 1925 1 4 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.965 -0.004 18262 1926 1 4 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.775 -0.162 18262 1927 1 4 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.728 0.274 18262 1928 1 4 . 1 1 17 17 GLU H H 17 7.971 7.971 8.188 -0.217 18262 1929 1 4 . 1 1 18 18 ASN N N 18 118.526 118.526 118.357 0.169 18262 1930 1 4 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.478 0.065 18262 1931 1 4 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.938 -0.642 18262 1932 1 4 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.674 -0.352 18262 1933 1 4 . 1 1 18 18 ASN H H 18 8.071 8.071 8.051 0.020 18262 1934 1 4 . 1 1 19 19 PHE N N 19 122.197 122.197 123.113 -0.916 18262 1935 1 4 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.057 -0.182 18262 1936 1 4 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.640 0.660 18262 1937 1 4 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.891 0.608 18262 1938 1 4 . 1 1 19 19 PHE H H 19 9.658 9.658 8.817 0.841 18262 1939 1 4 . 1 1 20 20 MET N N 20 118.488 118.488 118.532 -0.044 18262 1940 1 4 . 1 1 20 20 MET HA H 20 4.432 4.432 3.902 0.530 18262 1941 1 4 . 1 1 20 20 MET CA C 20 57.732 57.732 57.510 0.222 18262 1942 1 4 . 1 1 20 20 MET CB C 20 31.999 31.999 31.199 0.800 18262 1943 1 4 . 1 1 20 20 MET H H 20 8.874 8.874 8.569 0.305 18262 1944 1 4 . 1 1 21 21 ASN N N 21 118.434 118.434 118.450 -0.016 18262 1945 1 4 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.405 0.134 18262 1946 1 4 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.917 -0.649 18262 1947 1 4 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.690 -0.704 18262 1948 1 4 . 1 1 21 21 ASN H H 21 8.468 8.468 8.663 -0.195 18262 1949 1 4 . 1 1 22 22 SER N N 22 116.181 116.181 115.880 0.301 18262 1950 1 4 . 1 1 22 22 SER HA H 22 4.193 4.193 4.133 0.060 18262 1951 1 4 . 1 1 22 22 SER CA C 22 62.195 62.195 61.914 0.281 18262 1952 1 4 . 1 1 22 22 SER CB C 22 62.997 62.997 63.023 -0.026 18262 1953 1 4 . 1 1 22 22 SER H H 22 7.936 7.936 7.953 -0.017 18262 1954 1 4 . 1 1 23 23 PHE N N 23 125.045 125.045 124.229 0.816 18262 1955 1 4 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.054 -0.040 18262 1956 1 4 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.792 -0.329 18262 1957 1 4 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.794 0.175 18262 1958 1 4 . 1 1 23 23 PHE H H 23 9.054 9.054 8.070 0.984 18262 1959 1 4 . 1 1 24 24 MET N N 24 117.336 117.336 117.145 0.191 18262 1960 1 4 . 1 1 24 24 MET HA H 24 4.029 4.029 3.535 0.494 18262 1961 1 4 . 1 1 24 24 MET CA C 24 56.117 56.117 59.032 -2.915 18262 1962 1 4 . 1 1 24 24 MET CB C 24 30.378 30.378 31.834 -1.456 18262 1963 1 4 . 1 1 24 24 MET H H 24 8.314 8.314 8.660 -0.346 18262 1964 1 4 . 1 1 25 25 GLN N N 25 120.286 120.286 118.554 1.732 18262 1965 1 4 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.050 -0.068 18262 1966 1 4 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.257 0.949 18262 1967 1 4 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.028 0.276 18262 1968 1 4 . 1 1 25 25 GLN H H 25 8.044 8.044 8.126 -0.082 18262 1969 1 4 . 1 1 26 26 GLY N N 26 107.817 107.817 107.194 0.623 18262 1970 1 4 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.332 0.686 18262 1971 1 4 . 1 1 26 26 GLY H H 26 8.101 8.101 8.095 0.006 18262 1972 1 4 . 1 1 27 27 LEU N N 27 122.926 122.926 122.468 0.458 18262 1973 1 4 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.059 -0.273 18262 1974 1 4 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.095 1.299 18262 1975 1 4 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.261 0.847 18262 1976 1 4 . 1 1 27 27 LEU H H 27 8.391 8.391 8.283 0.108 18262 1977 1 4 . 1 1 28 28 SER N N 28 109.497 109.497 112.951 -3.454 18262 1978 1 4 . 1 1 28 28 SER HA H 28 4.150 4.150 4.206 -0.056 18262 1979 1 4 . 1 1 28 28 SER CA C 28 61.223 61.223 60.045 1.177 18262 1980 1 4 . 1 1 28 28 SER CB C 28 63.390 63.390 63.002 0.388 18262 1981 1 4 . 1 1 28 28 SER H H 28 7.519 7.519 7.549 -0.030 18262 1982 1 4 . 1 1 29 29 SER N N 29 114.590 114.590 114.765 -0.175 18262 1983 1 4 . 1 1 29 29 SER HA H 29 4.739 4.739 4.417 0.322 18262 1984 1 4 . 1 1 29 29 SER CA C 29 58.035 58.035 58.363 -0.328 18262 1985 1 4 . 1 1 29 29 SER CB C 29 64.626 64.626 63.393 1.233 18262 1986 1 4 . 1 1 29 29 SER H H 29 7.451 7.451 7.428 0.023 18262 1987 1 4 . 1 1 30 30 MET N N 30 122.408 122.408 121.676 0.732 18262 1988 1 4 . 1 1 30 30 MET HA H 30 4.946 4.946 4.865 0.081 18262 1989 1 4 . 1 1 30 30 MET CA C 30 53.633 53.633 51.927 1.706 18262 1990 1 4 . 1 1 30 30 MET CB C 30 32.300 32.300 30.815 1.485 18262 1991 1 4 . 1 1 30 30 MET H H 30 7.659 7.659 7.436 0.223 18262 1992 1 4 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.629 0.039 18262 1993 1 4 . 1 1 31 31 PRO CA C 31 62.950 62.950 62.592 0.358 18262 1994 1 4 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.647 0.165 18262 1995 1 4 . 1 1 32 32 GLY N N 32 106.245 106.245 107.675 -1.430 18262 1996 1 4 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.540 0.251 18262 1997 1 4 . 1 1 32 32 GLY H H 32 8.407 8.407 8.773 -0.366 18262 1998 1 4 . 1 1 33 33 PHE N N 33 116.330 116.330 121.181 -4.851 18262 1999 1 4 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.958 0.199 18262 2000 1 4 . 1 1 33 33 PHE CA C 33 56.933 56.933 58.138 -1.205 18262 2001 1 4 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.519 1.593 18262 2002 1 4 . 1 1 33 33 PHE H H 33 7.865 7.865 7.591 0.274 18262 2003 1 4 . 1 1 34 34 THR N N 34 113.680 113.680 116.381 -2.701 18262 2004 1 4 . 1 1 34 34 THR HA H 34 4.544 4.544 4.605 -0.061 18262 2005 1 4 . 1 1 34 34 THR CA C 34 60.409 60.409 60.158 0.251 18262 2006 1 4 . 1 1 34 34 THR CB C 34 70.714 70.714 71.644 -0.931 18262 2007 1 4 . 1 1 34 34 THR H H 34 8.895 8.895 8.332 0.563 18262 2008 1 4 . 1 1 35 35 ALA N N 35 123.074 123.074 126.123 -3.049 18262 2009 1 4 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.013 0.072 18262 2010 1 4 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.764 0.133 18262 2011 1 4 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.665 -0.497 18262 2012 1 4 . 1 1 35 35 ALA H H 35 8.880 8.880 8.693 0.187 18262 2013 1 4 . 1 1 36 36 SER N N 36 112.915 112.915 113.842 -0.927 18262 2014 1 4 . 1 1 36 36 SER HA H 36 4.273 4.273 4.030 0.243 18262 2015 1 4 . 1 1 36 36 SER CA C 36 61.473 61.473 61.542 -0.070 18262 2016 1 4 . 1 1 36 36 SER CB C 36 62.441 62.441 62.877 -0.435 18262 2017 1 4 . 1 1 36 36 SER H H 36 8.413 8.413 8.605 -0.192 18262 2018 1 4 . 1 1 37 37 GLN N N 37 121.627 121.627 121.097 0.530 18262 2019 1 4 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.164 0.112 18262 2020 1 4 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.700 0.008 18262 2021 1 4 . 1 1 37 37 GLN CB C 37 29.193 29.193 29.033 0.160 18262 2022 1 4 . 1 1 37 37 GLN H H 37 7.639 7.639 7.632 0.007 18262 2023 1 4 . 1 1 38 38 LEU N N 38 119.757 119.757 120.463 -0.706 18262 2024 1 4 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.810 0.017 18262 2025 1 4 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.421 0.578 18262 2026 1 4 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.595 -0.569 18262 2027 1 4 . 1 1 38 38 LEU H H 38 8.351 8.351 8.437 -0.086 18262 2028 1 4 . 1 1 39 39 ASP N N 39 122.097 122.097 119.599 2.498 18262 2029 1 4 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.327 0.109 18262 2030 1 4 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.810 -0.031 18262 2031 1 4 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.922 -0.550 18262 2032 1 4 . 1 1 39 39 ASP H H 39 7.962 7.962 8.173 -0.211 18262 2033 1 4 . 1 1 40 40 ASP N N 40 122.033 122.033 118.090 3.943 18262 2034 1 4 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.496 -0.006 18262 2035 1 4 . 1 1 40 40 ASP CA C 40 57.890 57.890 55.714 2.176 18262 2036 1 4 . 1 1 40 40 ASP CB C 40 40.260 40.260 40.821 -0.561 18262 2037 1 4 . 1 1 40 40 ASP H H 40 8.052 8.052 7.402 0.650 18262 2038 1 4 . 1 1 41 41 MET N N 41 121.130 121.130 118.079 3.051 18262 2039 1 4 . 1 1 41 41 MET HA H 41 4.191 4.191 4.132 0.059 18262 2040 1 4 . 1 1 41 41 MET CA C 41 57.798 57.798 57.425 0.373 18262 2041 1 4 . 1 1 41 41 MET CB C 41 31.529 31.529 31.594 -0.065 18262 2042 1 4 . 1 1 41 41 MET H H 41 8.708 8.708 8.110 0.598 18262 2043 1 4 . 1 1 42 42 SER N N 42 116.303 116.303 112.880 3.423 18262 2044 1 4 . 1 1 42 42 SER HA H 42 4.301 4.301 4.232 0.069 18262 2045 1 4 . 1 1 42 42 SER CA C 42 62.145 62.145 61.460 0.685 18262 2046 1 4 . 1 1 42 42 SER CB C 42 62.835 62.835 62.625 0.210 18262 2047 1 4 . 1 1 42 42 SER H H 42 8.364 8.364 7.645 0.719 18262 2048 1 4 . 1 1 43 43 THR N N 43 119.136 119.136 118.523 0.613 18262 2049 1 4 . 1 1 43 43 THR HA H 43 4.051 4.051 4.086 -0.035 18262 2050 1 4 . 1 1 43 43 THR CA C 43 66.673 66.673 66.661 0.012 18262 2051 1 4 . 1 1 43 43 THR CB C 43 68.635 68.635 68.821 -0.186 18262 2052 1 4 . 1 1 43 43 THR H H 43 7.944 7.944 7.546 0.398 18262 2053 1 4 . 1 1 44 44 ILE N N 44 122.789 122.789 121.053 1.736 18262 2054 1 4 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.829 0.119 18262 2055 1 4 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.195 -0.548 18262 2056 1 4 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.522 0.525 18262 2057 1 4 . 1 1 44 44 ILE H H 44 7.856 7.856 7.390 0.466 18262 2058 1 4 . 1 1 45 45 ALA N N 45 124.903 124.903 118.889 6.014 18262 2059 1 4 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.118 0.016 18262 2060 1 4 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.025 2.054 18262 2061 1 4 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.296 0.682 18262 2062 1 4 . 1 1 45 45 ALA H H 45 8.868 8.868 7.977 0.891 18262 2063 1 4 . 1 1 46 46 GLN N N 46 116.435 116.435 117.667 -1.232 18262 2064 1 4 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.246 -0.182 18262 2065 1 4 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.522 1.451 18262 2066 1 4 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.923 -1.603 18262 2067 1 4 . 1 1 46 46 GLN H H 46 8.253 8.253 7.722 0.531 18262 2068 1 4 . 1 1 47 47 SER N N 47 116.211 116.211 117.419 -1.208 18262 2069 1 4 . 1 1 47 47 SER HA H 47 4.249 4.249 4.163 0.086 18262 2070 1 4 . 1 1 47 47 SER CA C 47 61.766 61.766 62.277 -0.511 18262 2071 1 4 . 1 1 47 47 SER CB C 47 62.874 62.874 63.020 -0.146 18262 2072 1 4 . 1 1 47 47 SER H H 47 8.242 8.242 8.716 -0.474 18262 2073 1 4 . 1 1 48 48 MET N N 48 122.179 122.179 120.232 1.947 18262 2074 1 4 . 1 1 48 48 MET HA H 48 4.109 4.109 4.089 0.020 18262 2075 1 4 . 1 1 48 48 MET CA C 48 57.695 57.695 58.080 -0.385 18262 2076 1 4 . 1 1 48 48 MET CB C 48 31.370 31.370 31.510 -0.140 18262 2077 1 4 . 1 1 48 48 MET H H 48 8.198 8.198 7.789 0.409 18262 2078 1 4 . 1 1 49 49 VAL N N 49 118.918 118.918 119.301 -0.383 18262 2079 1 4 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.623 -0.344 18262 2080 1 4 . 1 1 49 49 VAL CA C 49 67.937 67.937 67.322 0.615 18262 2081 1 4 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.160 0.393 18262 2082 1 4 . 1 1 49 49 VAL H H 49 7.791 7.791 8.215 -0.424 18262 2083 1 4 . 1 1 50 50 GLN N N 50 118.407 118.407 118.934 -0.527 18262 2084 1 4 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.974 0.118 18262 2085 1 4 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.235 -0.109 18262 2086 1 4 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.318 -0.115 18262 2087 1 4 . 1 1 50 50 GLN H H 50 8.206 8.206 8.370 -0.164 18262 2088 1 4 . 1 1 51 51 SER N N 51 117.680 117.680 117.049 0.631 18262 2089 1 4 . 1 1 51 51 SER HA H 51 4.209 4.209 4.189 0.020 18262 2090 1 4 . 1 1 51 51 SER CA C 51 62.766 62.766 62.371 0.395 18262 2091 1 4 . 1 1 51 51 SER CB C 51 63.014 63.014 62.899 0.115 18262 2092 1 4 . 1 1 51 51 SER H H 51 8.394 8.394 8.033 0.361 18262 2093 1 4 . 1 1 52 52 ILE N N 52 123.233 123.233 121.376 1.857 18262 2094 1 4 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.731 -0.168 18262 2095 1 4 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.791 0.090 18262 2096 1 4 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.665 0.206 18262 2097 1 4 . 1 1 52 52 ILE H H 52 8.135 8.135 7.745 0.390 18262 2098 1 4 . 1 1 53 53 GLN N N 53 119.911 119.911 120.166 -0.255 18262 2099 1 4 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.020 -0.095 18262 2100 1 4 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.206 0.365 18262 2101 1 4 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.232 -0.299 18262 2102 1 4 . 1 1 53 53 GLN H H 53 8.600 8.600 8.506 0.094 18262 2103 1 4 . 1 1 54 54 SER N N 54 115.414 115.414 114.251 1.163 18262 2104 1 4 . 1 1 54 54 SER HA H 54 4.308 4.308 4.295 0.013 18262 2105 1 4 . 1 1 54 54 SER CA C 54 61.468 61.468 61.056 0.412 18262 2106 1 4 . 1 1 54 54 SER CB C 54 62.950 62.950 62.955 -0.005 18262 2107 1 4 . 1 1 54 54 SER H H 54 8.304 8.304 8.234 0.070 18262 2108 1 4 . 1 1 55 55 LEU N N 55 121.576 121.576 122.520 -0.944 18262 2109 1 4 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.271 -0.206 18262 2110 1 4 . 1 1 55 55 LEU CA C 55 57.713 57.713 56.923 0.790 18262 2111 1 4 . 1 1 55 55 LEU CB C 55 42.353 42.353 42.137 0.216 18262 2112 1 4 . 1 1 55 55 LEU H H 55 7.881 7.881 7.080 0.801 18262 2113 1 4 . 1 1 56 56 ALA N N 56 121.244 121.244 120.025 1.219 18262 2114 1 4 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.228 0.004 18262 2115 1 4 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.150 0.251 18262 2116 1 4 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.885 -0.623 18262 2117 1 4 . 1 1 56 56 ALA H H 56 8.007 8.007 8.246 -0.239 18262 2118 1 4 . 1 1 57 57 ALA N N 57 121.370 121.370 120.156 1.214 18262 2119 1 4 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.227 -0.014 18262 2120 1 4 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.625 0.891 18262 2121 1 4 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.641 -1.101 18262 2122 1 4 . 1 1 57 57 ALA H H 57 8.026 8.026 7.634 0.392 18262 2123 1 4 . 1 1 58 58 GLN N N 58 114.464 114.464 117.027 -2.563 18262 2124 1 4 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.461 -0.117 18262 2125 1 4 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.300 0.727 18262 2126 1 4 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.423 0.264 18262 2127 1 4 . 1 1 58 58 GLN H H 58 7.759 7.759 8.287 -0.528 18262 2128 1 4 . 1 1 59 59 GLY N N 59 108.318 108.318 108.422 -0.104 18262 2129 1 4 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.672 0.464 18262 2130 1 4 . 1 1 59 59 GLY H H 59 7.905 7.905 7.706 0.199 18262 2131 1 4 . 1 1 60 60 ARG N N 60 118.325 118.325 120.628 -2.303 18262 2132 1 4 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.724 -0.198 18262 2133 1 4 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.374 0.354 18262 2134 1 4 . 1 1 60 60 ARG CB C 60 31.690 31.690 32.634 -0.944 18262 2135 1 4 . 1 1 60 60 ARG H H 60 8.097 8.097 8.387 -0.290 18262 2136 1 4 . 1 1 61 61 THR N N 61 116.640 116.640 117.926 -1.286 18262 2137 1 4 . 1 1 61 61 THR HA H 61 4.782 4.782 4.435 0.347 18262 2138 1 4 . 1 1 61 61 THR CA C 61 63.339 63.339 62.028 1.311 18262 2139 1 4 . 1 1 61 61 THR CB C 61 68.819 68.819 69.711 -0.892 18262 2140 1 4 . 1 1 61 61 THR H H 61 8.038 8.038 8.265 -0.227 18262 2141 1 4 . 1 1 62 62 SER N N 62 119.882 119.882 115.304 4.578 18262 2142 1 4 . 1 1 62 62 SER HA H 62 4.899 4.899 4.309 0.590 18262 2143 1 4 . 1 1 62 62 SER CA C 62 56.263 56.263 58.490 -2.227 18262 2144 1 4 . 1 1 62 62 SER CB C 62 63.827 63.827 62.948 0.879 18262 2145 1 4 . 1 1 62 62 SER H H 62 7.792 7.792 8.042 -0.250 18262 2146 1 4 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.274 0.025 18262 2147 1 4 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.051 0.765 18262 2148 1 4 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.974 0.243 18262 2149 1 4 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.505 0.042 18262 2150 1 4 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.415 -0.220 18262 2151 1 4 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.883 0.187 18262 2152 1 4 . 1 1 65 65 LYS N N 65 121.063 121.063 120.455 0.608 18262 2153 1 4 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.128 0.054 18262 2154 1 4 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.308 0.244 18262 2155 1 4 . 1 1 65 65 LYS CB C 65 32.707 32.707 31.950 0.757 18262 2156 1 4 . 1 1 65 65 LYS H H 65 7.762 7.762 7.732 0.030 18262 2157 1 4 . 1 1 66 66 LEU N N 66 119.082 119.082 117.991 1.091 18262 2158 1 4 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.392 -0.329 18262 2159 1 4 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.069 0.929 18262 2160 1 4 . 1 1 66 66 LEU CB C 66 41.461 41.461 41.050 0.411 18262 2161 1 4 . 1 1 66 66 LEU H H 66 7.934 7.934 7.480 0.454 18262 2162 1 4 . 1 1 67 67 GLN N N 67 119.220 119.220 114.721 4.499 18262 2163 1 4 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.632 -0.425 18262 2164 1 4 . 1 1 67 67 GLN CA C 67 59.087 59.087 55.798 3.289 18262 2165 1 4 . 1 1 67 67 GLN CB C 67 28.215 28.215 29.255 -1.040 18262 2166 1 4 . 1 1 67 67 GLN H H 67 8.201 8.201 7.591 0.610 18262 2167 1 4 . 1 1 68 68 ALA N N 68 121.749 121.749 122.474 -0.725 18262 2168 1 4 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.408 -0.229 18262 2169 1 4 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.321 0.954 18262 2170 1 4 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.500 -2.395 18262 2171 1 4 . 1 1 68 68 ALA H H 68 7.739 7.739 7.868 -0.129 18262 2172 1 4 . 1 1 69 69 LEU N N 69 120.591 120.591 118.611 1.980 18262 2173 1 4 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.894 0.101 18262 2174 1 4 . 1 1 69 69 LEU CA C 69 57.974 57.974 56.883 1.091 18262 2175 1 4 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.176 0.162 18262 2176 1 4 . 1 1 69 69 LEU H H 69 7.888 7.888 8.432 -0.544 18262 2177 1 4 . 1 1 70 70 ASN N N 70 119.586 119.586 116.977 2.609 18262 2178 1 4 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.197 -0.666 18262 2179 1 4 . 1 1 70 70 ASN CA C 70 57.020 57.020 55.959 1.061 18262 2180 1 4 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.128 0.720 18262 2181 1 4 . 1 1 70 70 ASN H H 70 8.356 8.356 8.588 -0.232 18262 2182 1 4 . 1 1 71 71 MET N N 71 117.354 117.354 118.853 -1.499 18262 2183 1 4 . 1 1 71 71 MET HA H 71 4.271 4.271 4.599 -0.328 18262 2184 1 4 . 1 1 71 71 MET CA C 71 59.088 59.088 58.153 0.935 18262 2185 1 4 . 1 1 71 71 MET CB C 71 32.746 32.746 32.926 -0.180 18262 2186 1 4 . 1 1 71 71 MET H H 71 8.207 8.207 7.653 0.554 18262 2187 1 4 . 1 1 72 72 ALA N N 72 123.354 123.354 123.501 -0.147 18262 2188 1 4 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.979 0.095 18262 2189 1 4 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.209 -0.082 18262 2190 1 4 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.169 -0.012 18262 2191 1 4 . 1 1 72 72 ALA H H 72 8.075 8.075 7.768 0.307 18262 2192 1 4 . 1 1 73 73 PHE N N 73 120.968 120.968 116.680 4.288 18262 2193 1 4 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.613 -0.095 18262 2194 1 4 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.231 1.201 18262 2195 1 4 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.837 1.760 18262 2196 1 4 . 1 1 73 73 PHE H H 73 8.546 8.546 7.847 0.699 18262 2197 1 4 . 1 1 74 74 ALA N N 74 119.865 119.865 122.861 -2.996 18262 2198 1 4 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.535 0.206 18262 2199 1 4 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.511 0.883 18262 2200 1 4 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.928 2.481 18262 2201 1 4 . 1 1 74 74 ALA H H 74 8.593 8.593 7.412 1.181 18262 2202 1 4 . 1 1 75 75 SER N N 75 112.870 112.870 113.694 -0.824 18262 2203 1 4 . 1 1 75 75 SER HA H 75 3.581 3.581 3.893 -0.312 18262 2204 1 4 . 1 1 75 75 SER CA C 75 61.879 61.879 61.270 0.609 18262 2205 1 4 . 1 1 75 75 SER CB C 75 62.010 62.010 62.390 -0.380 18262 2206 1 4 . 1 1 75 75 SER H H 75 8.501 8.501 8.108 0.393 18262 2207 1 4 . 1 1 76 76 SER N N 76 118.492 118.492 116.985 1.507 18262 2208 1 4 . 1 1 76 76 SER HA H 76 4.301 4.301 4.371 -0.070 18262 2209 1 4 . 1 1 76 76 SER CA C 76 62.748 62.748 61.102 1.645 18262 2210 1 4 . 1 1 76 76 SER CB C 76 63.013 63.013 63.225 -0.212 18262 2211 1 4 . 1 1 76 76 SER H H 76 8.152 8.152 7.495 0.657 18262 2212 1 4 . 1 1 77 77 MET N N 77 120.358 120.358 121.656 -1.298 18262 2213 1 4 . 1 1 77 77 MET HA H 77 3.999 3.999 4.343 -0.344 18262 2214 1 4 . 1 1 77 77 MET CA C 77 60.024 60.024 58.866 1.158 18262 2215 1 4 . 1 1 77 77 MET CB C 77 34.657 34.657 32.415 2.242 18262 2216 1 4 . 1 1 77 77 MET H H 77 8.130 8.130 8.013 0.117 18262 2217 1 4 . 1 1 78 78 ALA N N 78 121.547 121.547 122.287 -0.740 18262 2218 1 4 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.006 -0.080 18262 2219 1 4 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.937 -0.341 18262 2220 1 4 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.002 2.397 18262 2221 1 4 . 1 1 78 78 ALA H H 78 8.534 8.534 7.925 0.609 18262 2222 1 4 . 1 1 79 79 GLU N N 79 116.654 116.654 118.164 -1.510 18262 2223 1 4 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.023 -0.043 18262 2224 1 4 . 1 1 79 79 GLU CA C 79 59.402 59.402 59.436 -0.034 18262 2225 1 4 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.397 0.426 18262 2226 1 4 . 1 1 79 79 GLU H H 79 7.557 7.557 8.044 -0.487 18262 2227 1 4 . 1 1 80 80 ILE N N 80 118.293 118.293 119.530 -1.237 18262 2228 1 4 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.981 -0.023 18262 2229 1 4 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.222 -0.437 18262 2230 1 4 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.014 0.293 18262 2231 1 4 . 1 1 80 80 ILE H H 80 7.239 7.239 7.281 -0.042 18262 2232 1 4 . 1 1 81 81 ALA N N 81 121.511 121.511 123.410 -1.899 18262 2233 1 4 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.011 -0.051 18262 2234 1 4 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.746 -0.008 18262 2235 1 4 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.637 -0.680 18262 2236 1 4 . 1 1 81 81 ALA H H 81 8.595 8.595 8.713 -0.118 18262 2237 1 4 . 1 1 82 82 ALA N N 82 116.183 116.183 116.939 -0.756 18262 2238 1 4 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.246 0.042 18262 2239 1 4 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.786 0.815 18262 2240 1 4 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.852 0.542 18262 2241 1 4 . 1 1 82 82 ALA H H 82 8.001 8.001 8.064 -0.063 18262 2242 1 4 . 1 1 83 83 SER N N 83 113.212 113.212 116.092 -2.880 18262 2243 1 4 . 1 1 83 83 SER HA H 83 4.319 4.319 4.457 -0.138 18262 2244 1 4 . 1 1 83 83 SER CA C 83 59.243 59.243 58.036 1.207 18262 2245 1 4 . 1 1 83 83 SER CB C 83 63.971 63.971 63.527 0.444 18262 2246 1 4 . 1 1 83 83 SER H H 83 7.391 7.391 7.464 -0.073 18262 2247 1 4 . 1 1 84 84 GLU N N 84 123.385 123.385 128.208 -4.823 18262 2248 1 4 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.345 0.086 18262 2249 1 4 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.245 0.411 18262 2250 1 4 . 1 1 84 84 GLU CB C 84 30.576 30.576 28.760 1.816 18262 2251 1 4 . 1 1 84 84 GLU H H 84 8.421 8.421 8.954 -0.533 18262 2252 1 4 . 1 1 85 85 GLU N N 85 121.674 121.674 123.905 -2.231 18262 2253 1 4 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.359 -0.085 18262 2254 1 4 . 1 1 85 85 GLU CA C 85 57.127 57.127 56.685 0.442 18262 2255 1 4 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.357 -0.166 18262 2256 1 4 . 1 1 85 85 GLU H H 85 8.407 8.407 8.075 0.332 18262 2257 1 4 . 1 1 86 86 GLY N N 86 110.617 110.617 107.438 3.179 18262 2258 1 4 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.379 1.345 18262 2259 1 4 . 1 1 86 86 GLY H H 86 8.564 8.564 7.687 0.877 18262 2260 1 4 . 1 1 87 87 GLY N N 87 108.562 108.562 107.440 1.122 18262 2261 1 4 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.265 0.201 18262 2262 1 4 . 1 1 87 87 GLY H H 87 8.257 8.257 8.384 -0.127 18262 2263 1 4 . 1 1 88 88 GLY N N 88 107.890 107.890 112.097 -4.207 18262 2264 1 4 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.215 -0.331 18262 2265 1 4 . 1 1 88 88 GLY H H 88 8.100 8.100 7.624 0.476 18262 2266 1 4 . 1 1 89 89 SER N N 89 115.889 115.889 119.567 -3.678 18262 2267 1 4 . 1 1 89 89 SER HA H 89 4.594 4.594 4.479 0.115 18262 2268 1 4 . 1 1 89 89 SER CA C 89 57.382 57.382 55.995 1.387 18262 2269 1 4 . 1 1 89 89 SER CB C 89 65.271 65.271 64.745 0.526 18262 2270 1 4 . 1 1 89 89 SER H H 89 8.474 8.474 8.362 0.112 18262 2271 1 4 . 1 1 90 90 LEU N N 90 124.688 124.688 124.333 0.355 18262 2272 1 4 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.196 -0.072 18262 2273 1 4 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.163 1.397 18262 2274 1 4 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.137 -0.719 18262 2275 1 4 . 1 1 90 90 LEU H H 90 8.867 8.867 8.724 0.143 18262 2276 1 4 . 1 1 91 91 SER N N 91 114.045 114.045 114.439 -0.394 18262 2277 1 4 . 1 1 91 91 SER CA C 91 61.331 61.331 61.455 -0.124 18262 2278 1 4 . 1 1 91 91 SER CB C 91 62.080 62.080 62.992 -0.912 18262 2279 1 4 . 1 1 91 91 SER H H 91 8.501 8.501 7.780 0.721 18262 2280 1 4 . 1 1 92 92 THR N N 92 121.036 121.036 119.202 1.834 18262 2281 1 4 . 1 1 92 92 THR HA H 92 4.006 4.006 4.169 -0.163 18262 2282 1 4 . 1 1 92 92 THR CA C 92 66.537 66.537 66.312 0.225 18262 2283 1 4 . 1 1 92 92 THR CB C 92 68.326 68.326 68.654 -0.329 18262 2284 1 4 . 1 1 92 92 THR H H 92 7.818 7.818 7.647 0.171 18262 2285 1 4 . 1 1 93 93 LYS N N 93 120.426 120.426 122.308 -1.882 18262 2286 1 4 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.858 -0.069 18262 2287 1 4 . 1 1 93 93 LYS CA C 93 61.114 61.114 60.056 1.058 18262 2288 1 4 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.918 1.551 18262 2289 1 4 . 1 1 93 93 LYS H H 93 8.146 8.146 7.493 0.653 18262 2290 1 4 . 1 1 94 94 THR N N 94 111.775 111.775 112.640 -0.865 18262 2291 1 4 . 1 1 94 94 THR HA H 94 3.933 3.933 4.028 -0.095 18262 2292 1 4 . 1 1 94 94 THR CA C 94 67.228 67.228 66.591 0.637 18262 2293 1 4 . 1 1 94 94 THR CB C 94 68.083 68.083 68.481 -0.398 18262 2294 1 4 . 1 1 94 94 THR H H 94 8.881 8.881 8.331 0.550 18262 2295 1 4 . 1 1 95 95 SER N N 95 119.066 119.066 117.989 1.077 18262 2296 1 4 . 1 1 95 95 SER HA H 95 4.397 4.397 4.257 0.140 18262 2297 1 4 . 1 1 95 95 SER CA C 95 62.060 62.060 61.917 0.143 18262 2298 1 4 . 1 1 95 95 SER CB C 95 62.693 62.693 62.738 -0.045 18262 2299 1 4 . 1 1 95 95 SER H H 95 8.134 8.134 7.825 0.309 18262 2300 1 4 . 1 1 96 96 SER N N 96 121.588 121.588 120.193 1.395 18262 2301 1 4 . 1 1 96 96 SER HA H 96 4.462 4.462 4.364 0.098 18262 2302 1 4 . 1 1 96 96 SER CA C 96 62.623 62.623 62.471 0.152 18262 2303 1 4 . 1 1 96 96 SER CB C 96 62.866 62.866 63.137 -0.271 18262 2304 1 4 . 1 1 96 96 SER H H 96 8.642 8.642 7.696 0.946 18262 2305 1 4 . 1 1 97 97 ILE N N 97 122.467 122.467 123.036 -0.569 18262 2306 1 4 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.842 -0.045 18262 2307 1 4 . 1 1 97 97 ILE CA C 97 66.834 66.834 66.101 0.733 18262 2308 1 4 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.883 0.832 18262 2309 1 4 . 1 1 97 97 ILE H H 97 8.482 8.482 8.713 -0.231 18262 2310 1 4 . 1 1 98 98 ALA N N 98 122.100 122.100 122.183 -0.083 18262 2311 1 4 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.057 -0.003 18262 2312 1 4 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.561 0.667 18262 2313 1 4 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.212 0.205 18262 2314 1 4 . 1 1 98 98 ALA H H 98 8.437 8.437 8.398 0.039 18262 2315 1 4 . 1 1 99 99 SER N N 99 115.737 115.737 115.170 0.567 18262 2316 1 4 . 1 1 99 99 SER HA H 99 4.366 4.366 4.265 0.101 18262 2317 1 4 . 1 1 99 99 SER CA C 99 62.029 62.029 62.277 -0.248 18262 2318 1 4 . 1 1 99 99 SER CB C 99 63.230 63.230 63.043 0.187 18262 2319 1 4 . 1 1 99 99 SER H H 99 8.658 8.658 8.049 0.609 18262 2320 1 4 . 1 1 100 100 ALA N N 100 124.292 124.292 125.461 -1.169 18262 2321 1 4 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.991 0.254 18262 2322 1 4 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.270 0.121 18262 2323 1 4 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.316 0.176 18262 2324 1 4 . 1 1 100 100 ALA H H 100 8.976 8.976 8.615 0.361 18262 2325 1 4 . 1 1 101 101 MET N N 101 119.143 119.143 117.523 1.620 18262 2326 1 4 . 1 1 101 101 MET HA H 101 4.054 4.054 3.996 0.058 18262 2327 1 4 . 1 1 101 101 MET CA C 101 61.026 61.026 59.784 1.242 18262 2328 1 4 . 1 1 101 101 MET CB C 101 34.483 34.483 32.742 1.741 18262 2329 1 4 . 1 1 101 101 MET H H 101 9.063 9.063 8.604 0.459 18262 2330 1 4 . 1 1 102 102 SER N N 102 116.778 116.778 115.578 1.200 18262 2331 1 4 . 1 1 102 102 SER HA H 102 4.363 4.363 4.405 -0.042 18262 2332 1 4 . 1 1 102 102 SER CA C 102 63.348 63.348 62.590 0.758 18262 2333 1 4 . 1 1 102 102 SER CB C 102 62.593 62.593 63.262 -0.669 18262 2334 1 4 . 1 1 102 102 SER H H 102 8.693 8.693 8.249 0.444 18262 2335 1 4 . 1 1 103 103 ASN N N 103 117.982 117.982 119.553 -1.571 18262 2336 1 4 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.527 -0.063 18262 2337 1 4 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.929 0.733 18262 2338 1 4 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.653 -0.136 18262 2339 1 4 . 1 1 103 103 ASN H H 103 8.108 8.108 8.501 -0.393 18262 2340 1 4 . 1 1 104 104 ALA N N 104 122.272 122.272 122.540 -0.268 18262 2341 1 4 . 1 1 104 104 ALA HA H 104 4.240 4.240 3.959 0.281 18262 2342 1 4 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.943 -0.100 18262 2343 1 4 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.159 0.074 18262 2344 1 4 . 1 1 104 104 ALA H H 104 7.892 7.892 8.010 -0.118 18262 2345 1 4 . 1 1 105 105 PHE N N 105 119.096 119.096 118.688 0.408 18262 2346 1 4 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.432 -0.032 18262 2347 1 4 . 1 1 105 105 PHE CA C 105 63.843 63.843 61.395 2.448 18262 2348 1 4 . 1 1 105 105 PHE CB C 105 39.487 39.487 38.820 0.667 18262 2349 1 4 . 1 1 105 105 PHE H H 105 8.580 8.580 8.524 0.056 18262 2350 1 4 . 1 1 106 106 LEU N N 106 121.540 121.540 116.371 5.169 18262 2351 1 4 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.209 -0.473 18262 2352 1 4 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.087 2.069 18262 2353 1 4 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.538 -0.203 18262 2354 1 4 . 1 1 106 106 LEU H H 106 8.226 8.226 7.573 0.653 18262 2355 1 4 . 1 1 107 107 GLN N N 107 114.603 114.603 116.656 -2.053 18262 2356 1 4 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.444 -0.254 18262 2357 1 4 . 1 1 107 107 GLN CA C 107 57.418 57.418 56.840 0.578 18262 2358 1 4 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.813 0.678 18262 2359 1 4 . 1 1 107 107 GLN H H 107 8.132 8.132 7.719 0.413 18262 2360 1 4 . 1 1 108 108 THR N N 108 108.290 108.290 111.449 -3.159 18262 2361 1 4 . 1 1 108 108 THR HA H 108 4.518 4.518 4.530 -0.012 18262 2362 1 4 . 1 1 108 108 THR CA C 108 62.483 62.483 63.495 -1.012 18262 2363 1 4 . 1 1 108 108 THR CB C 108 70.390 70.390 70.333 0.057 18262 2364 1 4 . 1 1 108 108 THR H H 108 7.726 7.726 7.646 0.080 18262 2365 1 4 . 1 1 109 109 THR N N 109 113.407 113.407 113.896 -0.489 18262 2366 1 4 . 1 1 109 109 THR HA H 109 4.586 4.586 4.519 0.067 18262 2367 1 4 . 1 1 109 109 THR CA C 109 62.325 62.325 62.084 0.241 18262 2368 1 4 . 1 1 109 109 THR CB C 109 70.696 70.696 70.078 0.619 18262 2369 1 4 . 1 1 109 109 THR H H 109 8.907 8.907 8.087 0.820 18262 2370 1 4 . 1 1 110 110 GLY N N 110 109.267 109.267 111.338 -2.071 18262 2371 1 4 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.661 -0.093 18262 2372 1 4 . 1 1 110 110 GLY H H 110 8.361 8.361 8.475 -0.114 18262 2373 1 4 . 1 1 111 111 VAL N N 111 119.375 119.375 119.825 -0.450 18262 2374 1 4 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.319 -0.064 18262 2375 1 4 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.556 0.326 18262 2376 1 4 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.433 1.003 18262 2377 1 4 . 1 1 111 111 VAL H H 111 7.784 7.784 7.373 0.411 18262 2378 1 4 . 1 1 112 112 VAL N N 112 125.327 125.327 126.308 -0.981 18262 2379 1 4 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.900 -0.688 18262 2380 1 4 . 1 1 112 112 VAL CA C 112 64.479 64.479 61.131 3.348 18262 2381 1 4 . 1 1 112 112 VAL CB C 112 32.696 32.696 32.961 -0.265 18262 2382 1 4 . 1 1 112 112 VAL H H 112 8.747 8.747 8.136 0.611 18262 2383 1 4 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.535 -0.033 18262 2384 1 4 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.787 -1.594 18262 2385 1 4 . 1 1 113 113 ASN CB C 113 37.122 37.122 37.950 -0.827 18262 2386 1 4 . 1 1 114 114 GLN N N 114 124.067 124.067 127.098 -3.031 18262 2387 1 4 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.236 -0.299 18262 2388 1 4 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.634 -1.216 18262 2389 1 4 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.125 -0.578 18262 2390 1 4 . 1 1 114 114 GLN H H 114 8.394 8.394 8.090 0.304 18262 2391 1 4 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.205 0.045 18262 2392 1 4 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.797 0.875 18262 2393 1 4 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.217 0.082 18262 2394 1 4 . 1 1 116 116 PHE N N 116 117.820 117.820 118.284 -0.464 18262 2395 1 4 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.260 -0.058 18262 2396 1 4 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.703 -0.372 18262 2397 1 4 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.844 0.675 18262 2398 1 4 . 1 1 116 116 PHE H H 116 7.268 7.268 8.163 -0.895 18262 2399 1 4 . 1 1 117 117 ILE N N 117 119.434 119.434 119.119 0.315 18262 2400 1 4 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.577 -0.043 18262 2401 1 4 . 1 1 117 117 ILE CA C 117 65.747 65.747 64.501 1.246 18262 2402 1 4 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.693 0.502 18262 2403 1 4 . 1 1 117 117 ILE H H 117 7.641 7.641 7.459 0.182 18262 2404 1 4 . 1 1 118 118 ASN N N 118 119.834 119.834 117.474 2.360 18262 2405 1 4 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.672 -0.359 18262 2406 1 4 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.011 0.690 18262 2407 1 4 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.344 -0.823 18262 2408 1 4 . 1 1 118 118 ASN H H 118 8.985 8.985 8.428 0.557 18262 2409 1 4 . 1 1 119 119 GLU N N 119 121.164 121.164 120.747 0.417 18262 2410 1 4 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.266 -0.243 18262 2411 1 4 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.784 0.853 18262 2412 1 4 . 1 1 119 119 GLU CB C 119 29.716 29.716 30.092 -0.376 18262 2413 1 4 . 1 1 119 119 GLU H H 119 8.090 8.090 7.345 0.745 18262 2414 1 4 . 1 1 120 120 ILE N N 120 117.906 117.906 119.474 -1.568 18262 2415 1 4 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.671 0.083 18262 2416 1 4 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.894 -0.926 18262 2417 1 4 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.784 -0.970 18262 2418 1 4 . 1 1 120 120 ILE H H 120 8.025 8.025 8.400 -0.375 18262 2419 1 4 . 1 1 121 121 THR N N 121 112.720 112.720 112.815 -0.095 18262 2420 1 4 . 1 1 121 121 THR HA H 121 3.767 3.767 3.875 -0.108 18262 2421 1 4 . 1 1 121 121 THR CA C 121 67.203 67.203 66.100 1.103 18262 2422 1 4 . 1 1 121 121 THR CB C 121 68.380 68.380 68.425 -0.045 18262 2423 1 4 . 1 1 121 121 THR H H 121 8.665 8.665 7.791 0.874 18262 2424 1 4 . 1 1 122 122 GLN N N 122 123.165 123.165 121.134 2.031 18262 2425 1 4 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.165 -0.077 18262 2426 1 4 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.234 1.028 18262 2427 1 4 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.341 -0.180 18262 2428 1 4 . 1 1 122 122 GLN H H 122 8.128 8.128 7.935 0.193 18262 2429 1 4 . 1 1 123 123 LEU N N 123 120.702 120.702 120.964 -0.262 18262 2430 1 4 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.816 0.107 18262 2431 1 4 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.913 0.204 18262 2432 1 4 . 1 1 123 123 LEU CB C 123 42.990 42.990 40.819 2.171 18262 2433 1 4 . 1 1 123 123 LEU H H 123 8.173 8.173 7.774 0.399 18262 2434 1 4 . 1 1 124 124 VAL N N 124 118.840 118.840 118.113 0.727 18262 2435 1 4 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.867 -0.252 18262 2436 1 4 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.536 0.788 18262 2437 1 4 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.461 0.092 18262 2438 1 4 . 1 1 124 124 VAL H H 124 8.742 8.742 8.438 0.304 18262 2439 1 4 . 1 1 125 125 SER N N 125 112.613 112.613 115.582 -2.969 18262 2440 1 4 . 1 1 125 125 SER HA H 125 4.050 4.050 4.153 -0.103 18262 2441 1 4 . 1 1 125 125 SER CA C 125 62.568 62.568 61.883 0.685 18262 2442 1 4 . 1 1 125 125 SER CB C 125 62.960 62.960 62.904 0.056 18262 2443 1 4 . 1 1 125 125 SER H H 125 7.883 7.883 7.492 0.391 18262 2444 1 4 . 1 1 126 126 MET N N 126 120.939 120.939 121.885 -0.946 18262 2445 1 4 . 1 1 126 126 MET HA H 126 4.052 4.052 4.020 0.032 18262 2446 1 4 . 1 1 126 126 MET CA C 126 59.009 59.009 58.724 0.285 18262 2447 1 4 . 1 1 126 126 MET CB C 126 32.780 32.780 32.179 0.601 18262 2448 1 4 . 1 1 126 126 MET H H 126 8.091 8.091 8.415 -0.324 18262 2449 1 4 . 1 1 127 127 PHE N N 127 118.732 118.732 117.684 1.048 18262 2450 1 4 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.129 0.336 18262 2451 1 4 . 1 1 127 127 PHE CA C 127 60.596 60.596 61.018 -0.422 18262 2452 1 4 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.933 0.978 18262 2453 1 4 . 1 1 127 127 PHE H H 127 8.755 8.755 8.310 0.445 18262 2454 1 4 . 1 1 128 128 ALA N N 128 121.647 121.647 121.315 0.332 18262 2455 1 4 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.007 0.210 18262 2456 1 4 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.762 -0.258 18262 2457 1 4 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.458 1.099 18262 2458 1 4 . 1 1 128 128 ALA H H 128 8.638 8.638 7.829 0.809 18262 2459 1 4 . 1 1 129 129 GLN N N 129 115.892 115.892 119.983 -4.091 18262 2460 1 4 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.111 0.112 18262 2461 1 4 . 1 1 129 129 GLN CA C 129 57.240 57.240 58.301 -1.062 18262 2462 1 4 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.689 0.688 18262 2463 1 4 . 1 1 129 129 GLN H H 129 7.789 7.789 8.306 -0.517 18262 2464 1 4 . 1 1 130 130 ALA N N 130 122.349 122.349 119.112 3.237 18262 2465 1 4 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.487 -0.216 18262 2466 1 4 . 1 1 130 130 ALA CA C 130 53.907 53.907 51.085 2.822 18262 2467 1 4 . 1 1 130 130 ALA CB C 130 18.985 18.985 18.901 0.084 18262 2468 1 4 . 1 1 130 130 ALA H H 130 7.791 7.791 7.939 -0.148 18262 2469 1 4 . 1 1 131 131 GLY N N 131 106.497 106.497 108.638 -2.141 18262 2470 1 4 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.315 0.457 18262 2471 1 4 . 1 1 131 131 GLY H H 131 8.157 8.157 7.886 0.271 18262 2472 1 4 . 1 1 132 132 MET N N 132 119.229 119.229 116.578 2.651 18262 2473 1 4 . 1 1 132 132 MET HA H 132 4.473 4.473 4.644 -0.171 18262 2474 1 4 . 1 1 132 132 MET CA C 132 55.973 55.973 55.471 0.502 18262 2475 1 4 . 1 1 132 132 MET CB C 132 33.129 33.129 33.729 -0.600 18262 2476 1 4 . 1 1 132 132 MET H H 132 7.929 7.929 7.687 0.242 18262 2477 1 4 . 1 1 133 133 ASN N N 133 118.982 118.982 119.784 -0.802 18262 2478 1 4 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.892 -0.151 18262 2479 1 4 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.306 0.062 18262 2480 1 4 . 1 1 133 133 ASN CB C 133 39.349 39.349 40.616 -1.267 18262 2481 1 4 . 1 1 133 133 ASN H H 133 8.334 8.334 7.754 0.580 18262 2482 1 4 . 1 1 134 134 ASP N N 134 120.983 120.983 122.175 -1.192 18262 2483 1 4 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.697 -0.054 18262 2484 1 4 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.471 0.036 18262 2485 1 4 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.904 0.380 18262 2486 1 4 . 1 1 134 134 ASP H H 134 8.282 8.282 8.648 -0.366 18262 2487 1 4 . 1 1 135 135 VAL N N 135 119.922 119.922 118.129 1.793 18262 2488 1 4 . 1 1 135 135 VAL HA H 135 4.197 4.197 3.726 0.471 18262 2489 1 4 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.206 -0.879 18262 2490 1 4 . 1 1 135 135 VAL CB C 135 32.714 32.714 31.113 1.601 18262 2491 1 4 . 1 1 135 135 VAL H H 135 8.080 8.080 7.766 0.314 18262 2492 1 4 . 1 1 136 136 SER N N 136 119.994 119.994 114.737 5.257 18262 2493 1 4 . 1 1 136 136 SER HA H 136 4.459 4.459 4.024 0.435 18262 2494 1 4 . 1 1 136 136 SER CA C 136 58.412 58.412 59.045 -0.633 18262 2495 1 4 . 1 1 136 136 SER CB C 136 64.068 64.068 62.927 1.141 18262 2496 1 4 . 1 1 136 136 SER H H 136 8.397 8.397 8.823 -0.426 18262 2497 1 5 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.920 0.350 18262 2498 1 5 . 1 1 4 4 ASN N N 4 124.122 124.122 118.901 5.221 18262 2499 1 5 . 1 1 4 4 ASN CA C 4 54.827 54.827 54.701 0.126 18262 2500 1 5 . 1 1 4 4 ASN H H 4 7.979 7.979 8.346 -0.367 18262 2501 1 5 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.569 0.123 18262 2502 1 5 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.595 0.473 18262 2503 1 5 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.578 0.524 18262 2504 1 5 . 1 1 7 7 THR N N 7 115.462 115.462 118.319 -2.857 18262 2505 1 5 . 1 1 7 7 THR HA H 7 4.312 4.312 4.153 0.159 18262 2506 1 5 . 1 1 7 7 THR CA C 7 62.316 62.316 61.821 0.495 18262 2507 1 5 . 1 1 7 7 THR CB C 7 69.849 69.849 68.462 1.387 18262 2508 1 5 . 1 1 7 7 THR H H 7 8.132 8.132 8.363 -0.231 18262 2509 1 5 . 1 1 8 8 THR N N 8 115.752 115.752 117.591 -1.839 18262 2510 1 5 . 1 1 8 8 THR HA H 8 4.164 4.164 4.322 -0.158 18262 2511 1 5 . 1 1 8 8 THR CA C 8 58.419 58.419 58.280 0.139 18262 2512 1 5 . 1 1 8 8 THR CB C 8 69.385 69.385 69.124 0.261 18262 2513 1 5 . 1 1 8 8 THR H H 8 7.981 7.981 7.763 0.218 18262 2514 1 5 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.855 0.097 18262 2515 1 5 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.965 -0.930 18262 2516 1 5 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.483 0.176 18262 2517 1 5 . 1 1 10 10 TRP N N 10 111.703 111.703 115.159 -3.456 18262 2518 1 5 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.750 0.146 18262 2519 1 5 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.475 -1.006 18262 2520 1 5 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.910 2.336 18262 2521 1 5 . 1 1 10 10 TRP H H 10 6.710 6.710 7.179 -0.469 18262 2522 1 5 . 1 1 11 11 THR N N 11 106.459 106.459 111.017 -4.558 18262 2523 1 5 . 1 1 11 11 THR HA H 11 3.893 3.893 4.104 -0.211 18262 2524 1 5 . 1 1 11 11 THR CA C 11 64.050 64.050 64.270 -0.220 18262 2525 1 5 . 1 1 11 11 THR CB C 11 69.312 69.312 69.254 0.058 18262 2526 1 5 . 1 1 11 11 THR H H 11 7.197 7.197 7.467 -0.270 18262 2527 1 5 . 1 1 12 12 ASN N N 12 116.465 116.465 119.625 -3.160 18262 2528 1 5 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.143 -0.035 18262 2529 1 5 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.546 0.779 18262 2530 1 5 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.723 -0.094 18262 2531 1 5 . 1 1 12 12 ASN H H 12 7.285 7.285 7.567 -0.282 18262 2532 1 5 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.356 -0.157 18262 2533 1 5 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.824 -0.313 18262 2534 1 5 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.135 0.417 18262 2535 1 5 . 1 1 14 14 GLY N N 14 109.155 109.155 105.721 3.434 18262 2536 1 5 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.797 0.357 18262 2537 1 5 . 1 1 14 14 GLY H H 14 8.364 8.364 8.223 0.141 18262 2538 1 5 . 1 1 15 15 LEU N N 15 124.654 124.654 123.508 1.146 18262 2539 1 5 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.033 0.304 18262 2540 1 5 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.375 0.172 18262 2541 1 5 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.559 0.111 18262 2542 1 5 . 1 1 15 15 LEU H H 15 7.910 7.910 8.356 -0.446 18262 2543 1 5 . 1 1 16 16 ALA N N 16 121.271 121.271 122.149 -0.878 18262 2544 1 5 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.082 -0.078 18262 2545 1 5 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.345 1.085 18262 2546 1 5 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.169 1.284 18262 2547 1 5 . 1 1 16 16 ALA H H 16 8.440 8.440 8.616 -0.176 18262 2548 1 5 . 1 1 17 17 GLU N N 17 117.125 117.125 119.391 -2.266 18262 2549 1 5 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.965 -0.004 18262 2550 1 5 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.742 -0.129 18262 2551 1 5 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.431 0.571 18262 2552 1 5 . 1 1 17 17 GLU H H 17 7.971 7.971 8.109 -0.138 18262 2553 1 5 . 1 1 18 18 ASN N N 18 118.526 118.526 117.692 0.834 18262 2554 1 5 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.460 0.083 18262 2555 1 5 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.824 -0.527 18262 2556 1 5 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.683 -0.361 18262 2557 1 5 . 1 1 18 18 ASN H H 18 8.071 8.071 8.271 -0.200 18262 2558 1 5 . 1 1 19 19 PHE N N 19 122.197 122.197 123.213 -1.016 18262 2559 1 5 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.020 -0.145 18262 2560 1 5 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.826 0.474 18262 2561 1 5 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.882 0.617 18262 2562 1 5 . 1 1 19 19 PHE H H 19 9.658 9.658 8.842 0.816 18262 2563 1 5 . 1 1 20 20 MET N N 20 118.488 118.488 116.786 1.702 18262 2564 1 5 . 1 1 20 20 MET HA H 20 4.432 4.432 3.759 0.673 18262 2565 1 5 . 1 1 20 20 MET CA C 20 57.732 57.732 57.450 0.282 18262 2566 1 5 . 1 1 20 20 MET CB C 20 31.999 31.999 31.328 0.671 18262 2567 1 5 . 1 1 20 20 MET H H 20 8.874 8.874 8.824 0.050 18262 2568 1 5 . 1 1 21 21 ASN N N 21 118.434 118.434 119.107 -0.673 18262 2569 1 5 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.527 0.012 18262 2570 1 5 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.719 -0.451 18262 2571 1 5 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.495 -0.509 18262 2572 1 5 . 1 1 21 21 ASN H H 21 8.468 8.468 7.973 0.496 18262 2573 1 5 . 1 1 22 22 SER N N 22 116.181 116.181 117.337 -1.156 18262 2574 1 5 . 1 1 22 22 SER HA H 22 4.193 4.193 4.138 0.055 18262 2575 1 5 . 1 1 22 22 SER CA C 22 62.195 62.195 62.129 0.066 18262 2576 1 5 . 1 1 22 22 SER CB C 22 62.997 62.997 63.024 -0.027 18262 2577 1 5 . 1 1 22 22 SER H H 22 7.936 7.936 8.096 -0.160 18262 2578 1 5 . 1 1 23 23 PHE N N 23 125.045 125.045 124.046 0.999 18262 2579 1 5 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.006 0.008 18262 2580 1 5 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.821 -0.358 18262 2581 1 5 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.789 0.180 18262 2582 1 5 . 1 1 23 23 PHE H H 23 9.054 9.054 8.453 0.601 18262 2583 1 5 . 1 1 24 24 MET N N 24 117.336 117.336 119.376 -2.040 18262 2584 1 5 . 1 1 24 24 MET HA H 24 4.029 4.029 3.564 0.465 18262 2585 1 5 . 1 1 24 24 MET CA C 24 56.117 56.117 59.252 -3.135 18262 2586 1 5 . 1 1 24 24 MET CB C 24 30.378 30.378 32.521 -2.143 18262 2587 1 5 . 1 1 24 24 MET H H 24 8.314 8.314 7.952 0.362 18262 2588 1 5 . 1 1 25 25 GLN N N 25 120.286 120.286 116.414 3.872 18262 2589 1 5 . 1 1 25 25 GLN HA H 25 3.982 3.982 3.978 0.004 18262 2590 1 5 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.544 0.662 18262 2591 1 5 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.291 0.013 18262 2592 1 5 . 1 1 25 25 GLN H H 25 8.044 8.044 8.530 -0.486 18262 2593 1 5 . 1 1 26 26 GLY N N 26 107.817 107.817 107.048 0.769 18262 2594 1 5 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.334 0.684 18262 2595 1 5 . 1 1 26 26 GLY H H 26 8.101 8.101 8.139 -0.038 18262 2596 1 5 . 1 1 27 27 LEU N N 27 122.926 122.926 122.845 0.081 18262 2597 1 5 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.005 -0.219 18262 2598 1 5 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.341 1.053 18262 2599 1 5 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.279 0.830 18262 2600 1 5 . 1 1 27 27 LEU H H 27 8.391 8.391 7.819 0.572 18262 2601 1 5 . 1 1 28 28 SER N N 28 109.497 109.497 113.021 -3.524 18262 2602 1 5 . 1 1 28 28 SER HA H 28 4.150 4.150 4.175 -0.025 18262 2603 1 5 . 1 1 28 28 SER CA C 28 61.223 61.223 60.269 0.954 18262 2604 1 5 . 1 1 28 28 SER CB C 28 63.390 63.390 62.809 0.581 18262 2605 1 5 . 1 1 28 28 SER H H 28 7.519 7.519 7.594 -0.075 18262 2606 1 5 . 1 1 29 29 SER N N 29 114.590 114.590 114.722 -0.132 18262 2607 1 5 . 1 1 29 29 SER HA H 29 4.739 4.739 4.449 0.290 18262 2608 1 5 . 1 1 29 29 SER CA C 29 58.035 58.035 58.824 -0.789 18262 2609 1 5 . 1 1 29 29 SER CB C 29 64.626 64.626 63.711 0.915 18262 2610 1 5 . 1 1 29 29 SER H H 29 7.451 7.451 7.400 0.051 18262 2611 1 5 . 1 1 30 30 MET N N 30 122.408 122.408 122.481 -0.073 18262 2612 1 5 . 1 1 30 30 MET HA H 30 4.946 4.946 4.849 0.097 18262 2613 1 5 . 1 1 30 30 MET CA C 30 53.633 53.633 52.794 0.839 18262 2614 1 5 . 1 1 30 30 MET CB C 30 32.300 32.300 32.963 -0.663 18262 2615 1 5 . 1 1 30 30 MET H H 30 7.659 7.659 7.533 0.126 18262 2616 1 5 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.377 0.291 18262 2617 1 5 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.667 -0.717 18262 2618 1 5 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.434 0.378 18262 2619 1 5 . 1 1 32 32 GLY N N 32 106.245 106.245 107.279 -1.034 18262 2620 1 5 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.270 0.521 18262 2621 1 5 . 1 1 32 32 GLY H H 32 8.407 8.407 8.639 -0.232 18262 2622 1 5 . 1 1 33 33 PHE N N 33 116.330 116.330 119.969 -3.639 18262 2623 1 5 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.787 0.370 18262 2624 1 5 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.723 -0.790 18262 2625 1 5 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.056 1.056 18262 2626 1 5 . 1 1 33 33 PHE H H 33 7.865 7.865 7.385 0.480 18262 2627 1 5 . 1 1 34 34 THR N N 34 113.680 113.680 113.843 -0.163 18262 2628 1 5 . 1 1 34 34 THR HA H 34 4.544 4.544 4.620 -0.076 18262 2629 1 5 . 1 1 34 34 THR CA C 34 60.409 60.409 61.116 -0.707 18262 2630 1 5 . 1 1 34 34 THR CB C 34 70.714 70.714 71.278 -0.564 18262 2631 1 5 . 1 1 34 34 THR H H 34 8.895 8.895 8.124 0.771 18262 2632 1 5 . 1 1 35 35 ALA N N 35 123.074 123.074 125.224 -2.150 18262 2633 1 5 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.044 0.041 18262 2634 1 5 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.440 0.457 18262 2635 1 5 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.818 -0.650 18262 2636 1 5 . 1 1 35 35 ALA H H 35 8.880 8.880 8.694 0.186 18262 2637 1 5 . 1 1 36 36 SER N N 36 112.915 112.915 114.393 -1.478 18262 2638 1 5 . 1 1 36 36 SER HA H 36 4.273 4.273 4.015 0.258 18262 2639 1 5 . 1 1 36 36 SER CA C 36 61.473 61.473 61.663 -0.190 18262 2640 1 5 . 1 1 36 36 SER CB C 36 62.441 62.441 62.915 -0.474 18262 2641 1 5 . 1 1 36 36 SER H H 36 8.413 8.413 8.280 0.133 18262 2642 1 5 . 1 1 37 37 GLN N N 37 121.627 121.627 120.441 1.186 18262 2643 1 5 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.240 0.036 18262 2644 1 5 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.401 0.307 18262 2645 1 5 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.575 0.618 18262 2646 1 5 . 1 1 37 37 GLN H H 37 7.639 7.639 7.621 0.018 18262 2647 1 5 . 1 1 38 38 LEU N N 38 119.757 119.757 120.676 -0.919 18262 2648 1 5 . 1 1 38 38 LEU HA H 38 3.827 3.827 4.036 -0.209 18262 2649 1 5 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.476 0.523 18262 2650 1 5 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.870 0.156 18262 2651 1 5 . 1 1 38 38 LEU H H 38 8.351 8.351 8.364 -0.013 18262 2652 1 5 . 1 1 39 39 ASP N N 39 122.097 122.097 120.705 1.392 18262 2653 1 5 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.291 0.145 18262 2654 1 5 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.350 -0.570 18262 2655 1 5 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.852 -0.479 18262 2656 1 5 . 1 1 39 39 ASP H H 39 7.962 7.962 8.289 -0.327 18262 2657 1 5 . 1 1 40 40 ASP N N 40 122.033 122.033 120.107 1.926 18262 2658 1 5 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.515 -0.025 18262 2659 1 5 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.605 1.285 18262 2660 1 5 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.098 -0.838 18262 2661 1 5 . 1 1 40 40 ASP H H 40 8.052 8.052 7.585 0.467 18262 2662 1 5 . 1 1 41 41 MET N N 41 121.130 121.130 118.960 2.170 18262 2663 1 5 . 1 1 41 41 MET HA H 41 4.191 4.191 4.100 0.091 18262 2664 1 5 . 1 1 41 41 MET CA C 41 57.798 57.798 59.762 -1.964 18262 2665 1 5 . 1 1 41 41 MET CB C 41 31.529 31.529 32.399 -0.870 18262 2666 1 5 . 1 1 41 41 MET H H 41 8.708 8.708 7.817 0.891 18262 2667 1 5 . 1 1 42 42 SER N N 42 116.303 116.303 115.361 0.942 18262 2668 1 5 . 1 1 42 42 SER HA H 42 4.301 4.301 4.271 0.030 18262 2669 1 5 . 1 1 42 42 SER CA C 42 62.145 62.145 61.669 0.476 18262 2670 1 5 . 1 1 42 42 SER CB C 42 62.835 62.835 62.609 0.226 18262 2671 1 5 . 1 1 42 42 SER H H 42 8.364 8.364 8.295 0.069 18262 2672 1 5 . 1 1 43 43 THR N N 43 119.136 119.136 120.197 -1.061 18262 2673 1 5 . 1 1 43 43 THR HA H 43 4.051 4.051 4.033 0.018 18262 2674 1 5 . 1 1 43 43 THR CA C 43 66.673 66.673 67.430 -0.757 18262 2675 1 5 . 1 1 43 43 THR CB C 43 68.635 68.635 68.632 0.003 18262 2676 1 5 . 1 1 43 43 THR H H 43 7.944 7.944 7.553 0.391 18262 2677 1 5 . 1 1 44 44 ILE N N 44 122.789 122.789 121.483 1.306 18262 2678 1 5 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.587 0.361 18262 2679 1 5 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.842 -1.195 18262 2680 1 5 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.419 0.628 18262 2681 1 5 . 1 1 44 44 ILE H H 44 7.856 7.856 8.343 -0.487 18262 2682 1 5 . 1 1 45 45 ALA N N 45 124.903 124.903 121.964 2.939 18262 2683 1 5 . 1 1 45 45 ALA HA H 45 4.134 4.134 3.902 0.232 18262 2684 1 5 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.612 0.466 18262 2685 1 5 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.027 0.951 18262 2686 1 5 . 1 1 45 45 ALA H H 45 8.868 8.868 8.401 0.467 18262 2687 1 5 . 1 1 46 46 GLN N N 46 116.435 116.435 118.390 -1.955 18262 2688 1 5 . 1 1 46 46 GLN HA H 46 4.064 4.064 3.985 0.079 18262 2689 1 5 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.954 0.019 18262 2690 1 5 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.648 -0.328 18262 2691 1 5 . 1 1 46 46 GLN H H 46 8.253 8.253 8.271 -0.018 18262 2692 1 5 . 1 1 47 47 SER N N 47 116.211 116.211 115.836 0.375 18262 2693 1 5 . 1 1 47 47 SER HA H 47 4.249 4.249 4.124 0.125 18262 2694 1 5 . 1 1 47 47 SER CA C 47 61.766 61.766 61.573 0.193 18262 2695 1 5 . 1 1 47 47 SER CB C 47 62.874 62.874 63.057 -0.183 18262 2696 1 5 . 1 1 47 47 SER H H 47 8.242 8.242 8.445 -0.203 18262 2697 1 5 . 1 1 48 48 MET N N 48 122.179 122.179 120.919 1.260 18262 2698 1 5 . 1 1 48 48 MET HA H 48 4.109 4.109 4.033 0.076 18262 2699 1 5 . 1 1 48 48 MET CA C 48 57.695 57.695 57.839 -0.144 18262 2700 1 5 . 1 1 48 48 MET CB C 48 31.370 31.370 31.678 -0.308 18262 2701 1 5 . 1 1 48 48 MET H H 48 8.198 8.198 8.414 -0.216 18262 2702 1 5 . 1 1 49 49 VAL N N 49 118.918 118.918 119.685 -0.767 18262 2703 1 5 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.614 -0.335 18262 2704 1 5 . 1 1 49 49 VAL CA C 49 67.937 67.937 67.338 0.599 18262 2705 1 5 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.221 0.332 18262 2706 1 5 . 1 1 49 49 VAL H H 49 7.791 7.791 7.935 -0.144 18262 2707 1 5 . 1 1 50 50 GLN N N 50 118.407 118.407 119.163 -0.756 18262 2708 1 5 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.892 0.200 18262 2709 1 5 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.404 -0.278 18262 2710 1 5 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.360 -0.157 18262 2711 1 5 . 1 1 50 50 GLN H H 50 8.206 8.206 8.050 0.156 18262 2712 1 5 . 1 1 51 51 SER N N 51 117.680 117.680 116.221 1.459 18262 2713 1 5 . 1 1 51 51 SER HA H 51 4.209 4.209 4.156 0.053 18262 2714 1 5 . 1 1 51 51 SER CA C 51 62.766 62.766 62.336 0.430 18262 2715 1 5 . 1 1 51 51 SER CB C 51 63.014 63.014 62.772 0.242 18262 2716 1 5 . 1 1 51 51 SER H H 51 8.394 8.394 8.090 0.304 18262 2717 1 5 . 1 1 52 52 ILE N N 52 123.233 123.233 121.975 1.258 18262 2718 1 5 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.734 -0.171 18262 2719 1 5 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.507 0.374 18262 2720 1 5 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.540 0.331 18262 2721 1 5 . 1 1 52 52 ILE H H 52 8.135 8.135 7.464 0.671 18262 2722 1 5 . 1 1 53 53 GLN N N 53 119.911 119.911 119.873 0.038 18262 2723 1 5 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.926 -0.001 18262 2724 1 5 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.029 0.542 18262 2725 1 5 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.064 -0.131 18262 2726 1 5 . 1 1 53 53 GLN H H 53 8.600 8.600 8.427 0.173 18262 2727 1 5 . 1 1 54 54 SER N N 54 115.414 115.414 114.616 0.798 18262 2728 1 5 . 1 1 54 54 SER HA H 54 4.308 4.308 4.241 0.067 18262 2729 1 5 . 1 1 54 54 SER CA C 54 61.468 61.468 60.719 0.749 18262 2730 1 5 . 1 1 54 54 SER CB C 54 62.950 62.950 62.983 -0.032 18262 2731 1 5 . 1 1 54 54 SER H H 54 8.304 8.304 7.961 0.343 18262 2732 1 5 . 1 1 55 55 LEU N N 55 121.576 121.576 123.263 -1.687 18262 2733 1 5 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.112 -0.047 18262 2734 1 5 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.583 0.130 18262 2735 1 5 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.904 0.449 18262 2736 1 5 . 1 1 55 55 LEU H H 55 7.881 7.881 7.464 0.417 18262 2737 1 5 . 1 1 56 56 ALA N N 56 121.244 121.244 119.357 1.887 18262 2738 1 5 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.264 -0.032 18262 2739 1 5 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.767 0.634 18262 2740 1 5 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.712 -0.450 18262 2741 1 5 . 1 1 56 56 ALA H H 56 8.007 8.007 8.220 -0.213 18262 2742 1 5 . 1 1 57 57 ALA N N 57 121.370 121.370 122.593 -1.223 18262 2743 1 5 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.203 0.010 18262 2744 1 5 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.990 0.526 18262 2745 1 5 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.725 -1.185 18262 2746 1 5 . 1 1 57 57 ALA H H 57 8.026 8.026 7.816 0.210 18262 2747 1 5 . 1 1 58 58 GLN N N 58 114.464 114.464 115.539 -1.075 18262 2748 1 5 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.664 -0.320 18262 2749 1 5 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.035 0.992 18262 2750 1 5 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.176 0.511 18262 2751 1 5 . 1 1 58 58 GLN H H 58 7.759 7.759 8.205 -0.446 18262 2752 1 5 . 1 1 59 59 GLY N N 59 108.318 108.318 109.392 -1.074 18262 2753 1 5 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.857 1.279 18262 2754 1 5 . 1 1 59 59 GLY H H 59 7.905 7.905 7.593 0.312 18262 2755 1 5 . 1 1 60 60 ARG N N 60 118.325 118.325 120.648 -2.323 18262 2756 1 5 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.507 0.019 18262 2757 1 5 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.573 0.155 18262 2758 1 5 . 1 1 60 60 ARG CB C 60 31.690 31.690 32.240 -0.550 18262 2759 1 5 . 1 1 60 60 ARG H H 60 8.097 8.097 8.394 -0.297 18262 2760 1 5 . 1 1 61 61 THR N N 61 116.640 116.640 122.771 -6.131 18262 2761 1 5 . 1 1 61 61 THR HA H 61 4.782 4.782 4.456 0.326 18262 2762 1 5 . 1 1 61 61 THR CA C 61 63.339 63.339 61.941 1.398 18262 2763 1 5 . 1 1 61 61 THR CB C 61 68.819 68.819 68.257 0.562 18262 2764 1 5 . 1 1 61 61 THR H H 61 8.038 8.038 8.420 -0.382 18262 2765 1 5 . 1 1 62 62 SER N N 62 119.882 119.882 122.421 -2.539 18262 2766 1 5 . 1 1 62 62 SER HA H 62 4.899 4.899 4.592 0.307 18262 2767 1 5 . 1 1 62 62 SER CA C 62 56.263 56.263 57.031 -0.768 18262 2768 1 5 . 1 1 62 62 SER CB C 62 63.827 63.827 63.410 0.417 18262 2769 1 5 . 1 1 62 62 SER H H 62 7.792 7.792 7.716 0.076 18262 2770 1 5 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.222 0.077 18262 2771 1 5 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.522 0.294 18262 2772 1 5 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.896 0.321 18262 2773 1 5 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.549 -0.002 18262 2774 1 5 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.016 0.180 18262 2775 1 5 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.901 0.169 18262 2776 1 5 . 1 1 65 65 LYS N N 65 121.063 121.063 120.136 0.927 18262 2777 1 5 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.097 0.085 18262 2778 1 5 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.369 0.183 18262 2779 1 5 . 1 1 65 65 LYS CB C 65 32.707 32.707 31.995 0.712 18262 2780 1 5 . 1 1 65 65 LYS H H 65 7.762 7.762 8.206 -0.444 18262 2781 1 5 . 1 1 66 66 LEU N N 66 119.082 119.082 118.694 0.388 18262 2782 1 5 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.271 -0.208 18262 2783 1 5 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.940 0.058 18262 2784 1 5 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.941 0.520 18262 2785 1 5 . 1 1 66 66 LEU H H 66 7.934 7.934 7.677 0.257 18262 2786 1 5 . 1 1 67 67 GLN N N 67 119.220 119.220 118.276 0.944 18262 2787 1 5 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.394 -0.187 18262 2788 1 5 . 1 1 67 67 GLN CA C 67 59.087 59.087 58.685 0.402 18262 2789 1 5 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.121 0.094 18262 2790 1 5 . 1 1 67 67 GLN H H 67 8.201 8.201 7.770 0.431 18262 2791 1 5 . 1 1 68 68 ALA N N 68 121.749 121.749 122.404 -0.655 18262 2792 1 5 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.137 0.042 18262 2793 1 5 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.921 0.354 18262 2794 1 5 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.451 -0.346 18262 2795 1 5 . 1 1 68 68 ALA H H 68 7.739 7.739 7.579 0.160 18262 2796 1 5 . 1 1 69 69 LEU N N 69 120.591 120.591 116.503 4.088 18262 2797 1 5 . 1 1 69 69 LEU HA H 69 3.995 3.995 4.022 -0.027 18262 2798 1 5 . 1 1 69 69 LEU CA C 69 57.974 57.974 56.661 1.313 18262 2799 1 5 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.516 -0.178 18262 2800 1 5 . 1 1 69 69 LEU H H 69 7.888 7.888 8.222 -0.334 18262 2801 1 5 . 1 1 70 70 ASN N N 70 119.586 119.586 118.263 1.323 18262 2802 1 5 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.437 -0.906 18262 2803 1 5 . 1 1 70 70 ASN CA C 70 57.020 57.020 55.999 1.021 18262 2804 1 5 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.436 0.412 18262 2805 1 5 . 1 1 70 70 ASN H H 70 8.356 8.356 8.083 0.273 18262 2806 1 5 . 1 1 71 71 MET N N 71 117.354 117.354 118.582 -1.228 18262 2807 1 5 . 1 1 71 71 MET HA H 71 4.271 4.271 4.545 -0.274 18262 2808 1 5 . 1 1 71 71 MET CA C 71 59.088 59.088 58.469 0.619 18262 2809 1 5 . 1 1 71 71 MET CB C 71 32.746 32.746 32.546 0.200 18262 2810 1 5 . 1 1 71 71 MET H H 71 8.207 8.207 8.103 0.104 18262 2811 1 5 . 1 1 72 72 ALA N N 72 123.354 123.354 124.054 -0.700 18262 2812 1 5 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.943 0.131 18262 2813 1 5 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.252 -0.125 18262 2814 1 5 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.185 -0.028 18262 2815 1 5 . 1 1 72 72 ALA H H 72 8.075 8.075 7.643 0.432 18262 2816 1 5 . 1 1 73 73 PHE N N 73 120.968 120.968 116.642 4.326 18262 2817 1 5 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.301 0.217 18262 2818 1 5 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.023 0.409 18262 2819 1 5 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.314 1.283 18262 2820 1 5 . 1 1 73 73 PHE H H 73 8.546 8.546 8.009 0.537 18262 2821 1 5 . 1 1 74 74 ALA N N 74 119.865 119.865 122.409 -2.544 18262 2822 1 5 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.590 0.151 18262 2823 1 5 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.503 0.891 18262 2824 1 5 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.447 2.962 18262 2825 1 5 . 1 1 74 74 ALA H H 74 8.593 8.593 7.344 1.249 18262 2826 1 5 . 1 1 75 75 SER N N 75 112.870 112.870 114.258 -1.388 18262 2827 1 5 . 1 1 75 75 SER HA H 75 3.581 3.581 3.753 -0.172 18262 2828 1 5 . 1 1 75 75 SER CA C 75 61.879 61.879 61.058 0.821 18262 2829 1 5 . 1 1 75 75 SER CB C 75 62.010 62.010 62.573 -0.563 18262 2830 1 5 . 1 1 75 75 SER H H 75 8.501 8.501 7.851 0.650 18262 2831 1 5 . 1 1 76 76 SER N N 76 118.492 118.492 117.931 0.561 18262 2832 1 5 . 1 1 76 76 SER HA H 76 4.301 4.301 4.221 0.080 18262 2833 1 5 . 1 1 76 76 SER CA C 76 62.748 62.748 61.748 1.000 18262 2834 1 5 . 1 1 76 76 SER CB C 76 63.013 63.013 63.120 -0.107 18262 2835 1 5 . 1 1 76 76 SER H H 76 8.152 8.152 7.648 0.504 18262 2836 1 5 . 1 1 77 77 MET N N 77 120.358 120.358 120.622 -0.264 18262 2837 1 5 . 1 1 77 77 MET HA H 77 3.999 3.999 4.260 -0.261 18262 2838 1 5 . 1 1 77 77 MET CA C 77 60.024 60.024 59.031 0.994 18262 2839 1 5 . 1 1 77 77 MET CB C 77 34.657 34.657 32.332 2.325 18262 2840 1 5 . 1 1 77 77 MET H H 77 8.130 8.130 8.064 0.066 18262 2841 1 5 . 1 1 78 78 ALA N N 78 121.547 121.547 122.247 -0.700 18262 2842 1 5 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.049 -0.123 18262 2843 1 5 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.944 -0.348 18262 2844 1 5 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.053 2.346 18262 2845 1 5 . 1 1 78 78 ALA H H 78 8.534 8.534 8.055 0.479 18262 2846 1 5 . 1 1 79 79 GLU N N 79 116.654 116.654 117.286 -0.632 18262 2847 1 5 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.158 -0.178 18262 2848 1 5 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.443 0.959 18262 2849 1 5 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.250 0.573 18262 2850 1 5 . 1 1 79 79 GLU H H 79 7.557 7.557 7.867 -0.310 18262 2851 1 5 . 1 1 80 80 ILE N N 80 118.293 118.293 119.887 -1.594 18262 2852 1 5 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.916 0.042 18262 2853 1 5 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.278 -0.493 18262 2854 1 5 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.395 -0.088 18262 2855 1 5 . 1 1 80 80 ILE H H 80 7.239 7.239 7.376 -0.137 18262 2856 1 5 . 1 1 81 81 ALA N N 81 121.511 121.511 122.900 -1.389 18262 2857 1 5 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.041 -0.081 18262 2858 1 5 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.715 0.023 18262 2859 1 5 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.400 -0.443 18262 2860 1 5 . 1 1 81 81 ALA H H 81 8.595 8.595 8.877 -0.282 18262 2861 1 5 . 1 1 82 82 ALA N N 82 116.183 116.183 117.506 -1.323 18262 2862 1 5 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.294 -0.006 18262 2863 1 5 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.358 1.243 18262 2864 1 5 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.921 0.473 18262 2865 1 5 . 1 1 82 82 ALA H H 82 8.001 8.001 7.640 0.361 18262 2866 1 5 . 1 1 83 83 SER N N 83 113.212 113.212 114.825 -1.613 18262 2867 1 5 . 1 1 83 83 SER HA H 83 4.319 4.319 4.407 -0.088 18262 2868 1 5 . 1 1 83 83 SER CA C 83 59.243 59.243 57.727 1.516 18262 2869 1 5 . 1 1 83 83 SER CB C 83 63.971 63.971 63.739 0.232 18262 2870 1 5 . 1 1 83 83 SER H H 83 7.391 7.391 7.548 -0.157 18262 2871 1 5 . 1 1 84 84 GLU N N 84 123.385 123.385 128.502 -5.117 18262 2872 1 5 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.348 0.084 18262 2873 1 5 . 1 1 84 84 GLU CA C 84 56.656 56.656 55.652 1.004 18262 2874 1 5 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.503 1.073 18262 2875 1 5 . 1 1 84 84 GLU H H 84 8.421 8.421 8.901 -0.480 18262 2876 1 5 . 1 1 85 85 GLU N N 85 121.674 121.674 120.240 1.434 18262 2877 1 5 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.267 0.007 18262 2878 1 5 . 1 1 85 85 GLU CA C 85 57.127 57.127 56.191 0.936 18262 2879 1 5 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.288 -0.097 18262 2880 1 5 . 1 1 85 85 GLU H H 85 8.407 8.407 7.271 1.136 18262 2881 1 5 . 1 1 86 86 GLY N N 86 110.617 110.617 115.493 -4.876 18262 2882 1 5 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.449 0.275 18262 2883 1 5 . 1 1 86 86 GLY H H 86 8.564 8.564 8.782 -0.218 18262 2884 1 5 . 1 1 87 87 GLY N N 87 108.562 108.562 111.827 -3.265 18262 2885 1 5 . 1 1 87 87 GLY CA C 87 45.466 45.466 43.819 1.647 18262 2886 1 5 . 1 1 87 87 GLY H H 87 8.257 8.257 7.715 0.542 18262 2887 1 5 . 1 1 88 88 GLY N N 88 107.890 107.890 110.679 -2.789 18262 2888 1 5 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.514 -0.630 18262 2889 1 5 . 1 1 88 88 GLY H H 88 8.100 8.100 8.634 -0.534 18262 2890 1 5 . 1 1 89 89 SER N N 89 115.889 115.889 115.793 0.096 18262 2891 1 5 . 1 1 89 89 SER HA H 89 4.594 4.594 4.472 0.122 18262 2892 1 5 . 1 1 89 89 SER CA C 89 57.382 57.382 58.088 -0.706 18262 2893 1 5 . 1 1 89 89 SER CB C 89 65.271 65.271 63.834 1.437 18262 2894 1 5 . 1 1 89 89 SER H H 89 8.474 8.474 7.686 0.788 18262 2895 1 5 . 1 1 90 90 LEU N N 90 124.688 124.688 129.012 -4.324 18262 2896 1 5 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.021 0.103 18262 2897 1 5 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.711 0.849 18262 2898 1 5 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.114 -0.696 18262 2899 1 5 . 1 1 90 90 LEU H H 90 8.867 8.867 8.897 -0.030 18262 2900 1 5 . 1 1 91 91 SER N N 91 114.045 114.045 113.664 0.381 18262 2901 1 5 . 1 1 91 91 SER CA C 91 61.331 61.331 61.756 -0.425 18262 2902 1 5 . 1 1 91 91 SER CB C 91 62.080 62.080 62.494 -0.414 18262 2903 1 5 . 1 1 91 91 SER H H 91 8.501 8.501 8.422 0.079 18262 2904 1 5 . 1 1 92 92 THR N N 92 121.036 121.036 116.119 4.917 18262 2905 1 5 . 1 1 92 92 THR HA H 92 4.006 4.006 4.198 -0.192 18262 2906 1 5 . 1 1 92 92 THR CA C 92 66.537 66.537 65.333 1.204 18262 2907 1 5 . 1 1 92 92 THR CB C 92 68.326 68.326 68.667 -0.341 18262 2908 1 5 . 1 1 92 92 THR H H 92 7.818 7.818 7.564 0.254 18262 2909 1 5 . 1 1 93 93 LYS N N 93 120.426 120.426 122.051 -1.625 18262 2910 1 5 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.903 -0.114 18262 2911 1 5 . 1 1 93 93 LYS CA C 93 61.114 61.114 58.898 2.216 18262 2912 1 5 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.846 1.623 18262 2913 1 5 . 1 1 93 93 LYS H H 93 8.146 8.146 7.700 0.446 18262 2914 1 5 . 1 1 94 94 THR N N 94 111.775 111.775 113.018 -1.243 18262 2915 1 5 . 1 1 94 94 THR HA H 94 3.933 3.933 4.055 -0.122 18262 2916 1 5 . 1 1 94 94 THR CA C 94 67.228 67.228 66.405 0.823 18262 2917 1 5 . 1 1 94 94 THR CB C 94 68.083 68.083 68.371 -0.288 18262 2918 1 5 . 1 1 94 94 THR H H 94 8.881 8.881 8.243 0.638 18262 2919 1 5 . 1 1 95 95 SER N N 95 119.066 119.066 116.704 2.362 18262 2920 1 5 . 1 1 95 95 SER HA H 95 4.397 4.397 4.116 0.281 18262 2921 1 5 . 1 1 95 95 SER CA C 95 62.060 62.060 61.931 0.129 18262 2922 1 5 . 1 1 95 95 SER CB C 95 62.693 62.693 62.893 -0.200 18262 2923 1 5 . 1 1 95 95 SER H H 95 8.134 8.134 7.826 0.308 18262 2924 1 5 . 1 1 96 96 SER N N 96 121.588 121.588 118.510 3.078 18262 2925 1 5 . 1 1 96 96 SER HA H 96 4.462 4.462 4.282 0.180 18262 2926 1 5 . 1 1 96 96 SER CA C 96 62.623 62.623 61.783 0.840 18262 2927 1 5 . 1 1 96 96 SER CB C 96 62.866 62.866 63.344 -0.478 18262 2928 1 5 . 1 1 96 96 SER H H 96 8.642 8.642 7.650 0.992 18262 2929 1 5 . 1 1 97 97 ILE N N 97 122.467 122.467 123.185 -0.718 18262 2930 1 5 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.814 -0.017 18262 2931 1 5 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.928 0.906 18262 2932 1 5 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.867 0.848 18262 2933 1 5 . 1 1 97 97 ILE H H 97 8.482 8.482 8.444 0.038 18262 2934 1 5 . 1 1 98 98 ALA N N 98 122.100 122.100 121.728 0.372 18262 2935 1 5 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.071 -0.017 18262 2936 1 5 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.410 0.818 18262 2937 1 5 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.301 0.116 18262 2938 1 5 . 1 1 98 98 ALA H H 98 8.437 8.437 8.466 -0.029 18262 2939 1 5 . 1 1 99 99 SER N N 99 115.737 115.737 115.200 0.537 18262 2940 1 5 . 1 1 99 99 SER HA H 99 4.366 4.366 4.309 0.057 18262 2941 1 5 . 1 1 99 99 SER CA C 99 62.029 62.029 62.158 -0.129 18262 2942 1 5 . 1 1 99 99 SER CB C 99 63.230 63.230 63.058 0.172 18262 2943 1 5 . 1 1 99 99 SER H H 99 8.658 8.658 7.719 0.939 18262 2944 1 5 . 1 1 100 100 ALA N N 100 124.292 124.292 125.441 -1.149 18262 2945 1 5 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.963 0.282 18262 2946 1 5 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.358 0.033 18262 2947 1 5 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.259 0.233 18262 2948 1 5 . 1 1 100 100 ALA H H 100 8.976 8.976 8.636 0.340 18262 2949 1 5 . 1 1 101 101 MET N N 101 119.143 119.143 117.463 1.680 18262 2950 1 5 . 1 1 101 101 MET HA H 101 4.054 4.054 4.094 -0.040 18262 2951 1 5 . 1 1 101 101 MET CA C 101 61.026 61.026 59.790 1.236 18262 2952 1 5 . 1 1 101 101 MET CB C 101 34.483 34.483 32.805 1.678 18262 2953 1 5 . 1 1 101 101 MET H H 101 9.063 9.063 8.193 0.870 18262 2954 1 5 . 1 1 102 102 SER N N 102 116.778 116.778 115.721 1.057 18262 2955 1 5 . 1 1 102 102 SER HA H 102 4.363 4.363 4.326 0.037 18262 2956 1 5 . 1 1 102 102 SER CA C 102 63.348 63.348 62.612 0.736 18262 2957 1 5 . 1 1 102 102 SER CB C 102 62.593 62.593 63.230 -0.637 18262 2958 1 5 . 1 1 102 102 SER H H 102 8.693 8.693 8.141 0.552 18262 2959 1 5 . 1 1 103 103 ASN N N 103 117.982 117.982 119.623 -1.641 18262 2960 1 5 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.493 -0.029 18262 2961 1 5 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.137 0.525 18262 2962 1 5 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.613 -0.096 18262 2963 1 5 . 1 1 103 103 ASN H H 103 8.108 8.108 8.499 -0.391 18262 2964 1 5 . 1 1 104 104 ALA N N 104 122.272 122.272 122.569 -0.297 18262 2965 1 5 . 1 1 104 104 ALA HA H 104 4.240 4.240 3.981 0.259 18262 2966 1 5 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.041 -0.198 18262 2967 1 5 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.209 0.024 18262 2968 1 5 . 1 1 104 104 ALA H H 104 7.892 7.892 8.046 -0.154 18262 2969 1 5 . 1 1 105 105 PHE N N 105 119.096 119.096 118.910 0.186 18262 2970 1 5 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.441 -0.041 18262 2971 1 5 . 1 1 105 105 PHE CA C 105 63.843 63.843 61.456 2.388 18262 2972 1 5 . 1 1 105 105 PHE CB C 105 39.487 39.487 38.877 0.610 18262 2973 1 5 . 1 1 105 105 PHE H H 105 8.580 8.580 8.543 0.037 18262 2974 1 5 . 1 1 106 106 LEU N N 106 121.540 121.540 118.628 2.912 18262 2975 1 5 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.080 -0.344 18262 2976 1 5 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.808 1.348 18262 2977 1 5 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.460 -0.125 18262 2978 1 5 . 1 1 106 106 LEU H H 106 8.226 8.226 7.822 0.404 18262 2979 1 5 . 1 1 107 107 GLN N N 107 114.603 114.603 117.455 -2.852 18262 2980 1 5 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.243 -0.053 18262 2981 1 5 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.020 -0.602 18262 2982 1 5 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.603 0.888 18262 2983 1 5 . 1 1 107 107 GLN H H 107 8.132 8.132 8.108 0.024 18262 2984 1 5 . 1 1 108 108 THR N N 108 108.290 108.290 111.725 -3.435 18262 2985 1 5 . 1 1 108 108 THR HA H 108 4.518 4.518 4.426 0.092 18262 2986 1 5 . 1 1 108 108 THR CA C 108 62.483 62.483 63.961 -1.478 18262 2987 1 5 . 1 1 108 108 THR CB C 108 70.390 70.390 69.241 1.149 18262 2988 1 5 . 1 1 108 108 THR H H 108 7.726 7.726 7.633 0.093 18262 2989 1 5 . 1 1 109 109 THR N N 109 113.407 113.407 113.213 0.194 18262 2990 1 5 . 1 1 109 109 THR HA H 109 4.586 4.586 4.583 0.003 18262 2991 1 5 . 1 1 109 109 THR CA C 109 62.325 62.325 61.558 0.767 18262 2992 1 5 . 1 1 109 109 THR CB C 109 70.696 70.696 70.163 0.533 18262 2993 1 5 . 1 1 109 109 THR H H 109 8.907 8.907 8.119 0.788 18262 2994 1 5 . 1 1 110 110 GLY N N 110 109.267 109.267 109.930 -0.663 18262 2995 1 5 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.682 -0.114 18262 2996 1 5 . 1 1 110 110 GLY H H 110 8.361 8.361 8.566 -0.205 18262 2997 1 5 . 1 1 111 111 VAL N N 111 119.375 119.375 121.821 -2.446 18262 2998 1 5 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.245 0.010 18262 2999 1 5 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.018 -0.136 18262 3000 1 5 . 1 1 111 111 VAL CB C 111 35.436 35.436 32.785 2.651 18262 3001 1 5 . 1 1 111 111 VAL H H 111 7.784 7.784 7.778 0.006 18262 3002 1 5 . 1 1 112 112 VAL N N 112 125.327 125.327 124.964 0.363 18262 3003 1 5 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.966 -0.754 18262 3004 1 5 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.472 4.007 18262 3005 1 5 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.047 -1.351 18262 3006 1 5 . 1 1 112 112 VAL H H 112 8.747 8.747 8.288 0.459 18262 3007 1 5 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.719 -0.217 18262 3008 1 5 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.755 -1.562 18262 3009 1 5 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.094 -0.972 18262 3010 1 5 . 1 1 114 114 GLN N N 114 124.067 124.067 128.572 -4.505 18262 3011 1 5 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.303 -0.366 18262 3012 1 5 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.076 -0.658 18262 3013 1 5 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.881 -0.334 18262 3014 1 5 . 1 1 114 114 GLN H H 114 8.394 8.394 8.697 -0.303 18262 3015 1 5 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.111 0.139 18262 3016 1 5 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.170 0.502 18262 3017 1 5 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.084 0.215 18262 3018 1 5 . 1 1 116 116 PHE N N 116 117.820 117.820 118.720 -0.900 18262 3019 1 5 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.148 0.054 18262 3020 1 5 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.438 -0.107 18262 3021 1 5 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.103 0.416 18262 3022 1 5 . 1 1 116 116 PHE H H 116 7.268 7.268 8.443 -1.175 18262 3023 1 5 . 1 1 117 117 ILE N N 117 119.434 119.434 119.705 -0.271 18262 3024 1 5 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.363 0.171 18262 3025 1 5 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.177 0.570 18262 3026 1 5 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.568 0.627 18262 3027 1 5 . 1 1 117 117 ILE H H 117 7.641 7.641 8.019 -0.378 18262 3028 1 5 . 1 1 118 118 ASN N N 118 119.834 119.834 118.871 0.963 18262 3029 1 5 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.551 -0.238 18262 3030 1 5 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.546 0.155 18262 3031 1 5 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.899 -0.378 18262 3032 1 5 . 1 1 118 118 ASN H H 118 8.985 8.985 8.589 0.396 18262 3033 1 5 . 1 1 119 119 GLU N N 119 121.164 121.164 121.698 -0.534 18262 3034 1 5 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.071 -0.048 18262 3035 1 5 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.257 0.380 18262 3036 1 5 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.366 0.350 18262 3037 1 5 . 1 1 119 119 GLU H H 119 8.090 8.090 8.334 -0.244 18262 3038 1 5 . 1 1 120 120 ILE N N 120 117.906 117.906 118.582 -0.676 18262 3039 1 5 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.686 0.068 18262 3040 1 5 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.259 -1.291 18262 3041 1 5 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.552 -0.738 18262 3042 1 5 . 1 1 120 120 ILE H H 120 8.025 8.025 8.454 -0.429 18262 3043 1 5 . 1 1 121 121 THR N N 121 112.720 112.720 113.250 -0.530 18262 3044 1 5 . 1 1 121 121 THR HA H 121 3.767 3.767 3.918 -0.151 18262 3045 1 5 . 1 1 121 121 THR CA C 121 67.203 67.203 66.487 0.716 18262 3046 1 5 . 1 1 121 121 THR CB C 121 68.380 68.380 68.184 0.196 18262 3047 1 5 . 1 1 121 121 THR H H 121 8.665 8.665 8.024 0.641 18262 3048 1 5 . 1 1 122 122 GLN N N 122 123.165 123.165 122.271 0.894 18262 3049 1 5 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.131 -0.043 18262 3050 1 5 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.701 0.561 18262 3051 1 5 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.505 -0.344 18262 3052 1 5 . 1 1 122 122 GLN H H 122 8.128 8.128 7.569 0.559 18262 3053 1 5 . 1 1 123 123 LEU N N 123 120.702 120.702 120.893 -0.191 18262 3054 1 5 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.726 0.197 18262 3055 1 5 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.041 0.077 18262 3056 1 5 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.718 1.272 18262 3057 1 5 . 1 1 123 123 LEU H H 123 8.173 8.173 8.511 -0.338 18262 3058 1 5 . 1 1 124 124 VAL N N 124 118.840 118.840 118.449 0.391 18262 3059 1 5 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.784 -0.169 18262 3060 1 5 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.269 1.055 18262 3061 1 5 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.747 0.806 18262 3062 1 5 . 1 1 124 124 VAL H H 124 8.742 8.742 8.701 0.041 18262 3063 1 5 . 1 1 125 125 SER N N 125 112.613 112.613 114.766 -2.153 18262 3064 1 5 . 1 1 125 125 SER HA H 125 4.050 4.050 4.117 -0.067 18262 3065 1 5 . 1 1 125 125 SER CA C 125 62.568 62.568 61.724 0.844 18262 3066 1 5 . 1 1 125 125 SER CB C 125 62.960 62.960 62.923 0.037 18262 3067 1 5 . 1 1 125 125 SER H H 125 7.883 7.883 7.573 0.310 18262 3068 1 5 . 1 1 126 126 MET N N 126 120.939 120.939 121.768 -0.829 18262 3069 1 5 . 1 1 126 126 MET HA H 126 4.052 4.052 4.175 -0.123 18262 3070 1 5 . 1 1 126 126 MET CA C 126 59.009 59.009 56.957 2.052 18262 3071 1 5 . 1 1 126 126 MET CB C 126 32.780 32.780 31.943 0.837 18262 3072 1 5 . 1 1 126 126 MET H H 126 8.091 8.091 8.013 0.078 18262 3073 1 5 . 1 1 127 127 PHE N N 127 118.732 118.732 118.749 -0.017 18262 3074 1 5 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.381 0.084 18262 3075 1 5 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.304 0.292 18262 3076 1 5 . 1 1 127 127 PHE CB C 127 38.911 38.911 38.449 0.462 18262 3077 1 5 . 1 1 127 127 PHE H H 127 8.755 8.755 8.360 0.395 18262 3078 1 5 . 1 1 128 128 ALA N N 128 121.647 121.647 121.816 -0.169 18262 3079 1 5 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.051 0.166 18262 3080 1 5 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.535 -0.031 18262 3081 1 5 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.898 0.659 18262 3082 1 5 . 1 1 128 128 ALA H H 128 8.638 8.638 8.433 0.205 18262 3083 1 5 . 1 1 129 129 GLN N N 129 115.892 115.892 115.944 -0.052 18262 3084 1 5 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.241 -0.018 18262 3085 1 5 . 1 1 129 129 GLN CA C 129 57.240 57.240 56.097 1.143 18262 3086 1 5 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.540 -0.163 18262 3087 1 5 . 1 1 129 129 GLN H H 129 7.789 7.789 8.244 -0.455 18262 3088 1 5 . 1 1 130 130 ALA N N 130 122.349 122.349 121.250 1.099 18262 3089 1 5 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.230 0.041 18262 3090 1 5 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.185 1.722 18262 3091 1 5 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.086 1.899 18262 3092 1 5 . 1 1 130 130 ALA H H 130 7.791 7.791 7.302 0.489 18262 3093 1 5 . 1 1 131 131 GLY N N 131 106.497 106.497 105.526 0.971 18262 3094 1 5 . 1 1 131 131 GLY CA C 131 45.772 45.772 46.452 -0.680 18262 3095 1 5 . 1 1 131 131 GLY H H 131 8.157 8.157 8.401 -0.244 18262 3096 1 5 . 1 1 132 132 MET N N 132 119.229 119.229 115.112 4.117 18262 3097 1 5 . 1 1 132 132 MET HA H 132 4.473 4.473 4.534 -0.061 18262 3098 1 5 . 1 1 132 132 MET CA C 132 55.973 55.973 53.559 2.414 18262 3099 1 5 . 1 1 132 132 MET CB C 132 33.129 33.129 31.527 1.602 18262 3100 1 5 . 1 1 132 132 MET H H 132 7.929 7.929 7.645 0.284 18262 3101 1 5 . 1 1 133 133 ASN N N 133 118.982 118.982 121.391 -2.409 18262 3102 1 5 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.681 0.060 18262 3103 1 5 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.657 -0.289 18262 3104 1 5 . 1 1 133 133 ASN CB C 133 39.349 39.349 38.912 0.437 18262 3105 1 5 . 1 1 133 133 ASN H H 133 8.334 8.334 7.727 0.607 18262 3106 1 5 . 1 1 134 134 ASP N N 134 120.983 120.983 123.991 -3.008 18262 3107 1 5 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.312 0.331 18262 3108 1 5 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.967 -0.460 18262 3109 1 5 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.627 0.656 18262 3110 1 5 . 1 1 134 134 ASP H H 134 8.282 8.282 8.594 -0.312 18262 3111 1 5 . 1 1 135 135 VAL N N 135 119.922 119.922 118.581 1.341 18262 3112 1 5 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.463 -0.266 18262 3113 1 5 . 1 1 135 135 VAL CA C 135 62.327 62.327 61.847 0.479 18262 3114 1 5 . 1 1 135 135 VAL CB C 135 32.714 32.714 34.071 -1.357 18262 3115 1 5 . 1 1 135 135 VAL H H 135 8.080 8.080 8.025 0.055 18262 3116 1 5 . 1 1 136 136 SER N N 136 119.994 119.994 118.885 1.109 18262 3117 1 5 . 1 1 136 136 SER HA H 136 4.459 4.459 4.072 0.387 18262 3118 1 5 . 1 1 136 136 SER CA C 136 58.412 58.412 59.286 -0.874 18262 3119 1 5 . 1 1 136 136 SER CB C 136 64.068 64.068 62.085 1.983 18262 3120 1 5 . 1 1 136 136 SER H H 136 8.397 8.397 9.062 -0.665 18262 3121 1 6 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.457 0.813 18262 3122 1 6 . 1 1 4 4 ASN N N 4 124.122 124.122 120.038 4.084 18262 3123 1 6 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.578 2.249 18262 3124 1 6 . 1 1 4 4 ASN H H 4 7.979 7.979 8.389 -0.410 18262 3125 1 6 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.529 0.163 18262 3126 1 6 . 1 1 6 6 HIS CA C 6 56.068 56.068 56.087 -0.019 18262 3127 1 6 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.218 0.884 18262 3128 1 6 . 1 1 7 7 THR N N 7 115.462 115.462 120.939 -5.477 18262 3129 1 6 . 1 1 7 7 THR HA H 7 4.312 4.312 4.358 -0.046 18262 3130 1 6 . 1 1 7 7 THR CA C 7 62.316 62.316 63.030 -0.714 18262 3131 1 6 . 1 1 7 7 THR CB C 7 69.849 69.849 69.397 0.452 18262 3132 1 6 . 1 1 7 7 THR H H 7 8.132 8.132 8.451 -0.319 18262 3133 1 6 . 1 1 8 8 THR N N 8 115.752 115.752 118.275 -2.523 18262 3134 1 6 . 1 1 8 8 THR HA H 8 4.164 4.164 4.351 -0.187 18262 3135 1 6 . 1 1 8 8 THR CA C 8 58.419 58.419 57.757 0.662 18262 3136 1 6 . 1 1 8 8 THR CB C 8 69.385 69.385 69.443 -0.058 18262 3137 1 6 . 1 1 8 8 THR H H 8 7.981 7.981 7.712 0.269 18262 3138 1 6 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.010 -0.058 18262 3139 1 6 . 1 1 9 9 PRO CA C 9 63.035 63.035 64.004 -0.969 18262 3140 1 6 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.269 0.390 18262 3141 1 6 . 1 1 10 10 TRP N N 10 111.703 111.703 114.751 -3.048 18262 3142 1 6 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.681 0.215 18262 3143 1 6 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.088 -1.619 18262 3144 1 6 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.431 2.814 18262 3145 1 6 . 1 1 10 10 TRP H H 10 6.710 6.710 7.090 -0.380 18262 3146 1 6 . 1 1 11 11 THR N N 11 106.459 106.459 112.260 -5.801 18262 3147 1 6 . 1 1 11 11 THR HA H 11 3.893 3.893 4.125 -0.232 18262 3148 1 6 . 1 1 11 11 THR CA C 11 64.050 64.050 64.639 -0.589 18262 3149 1 6 . 1 1 11 11 THR CB C 11 69.312 69.312 68.994 0.318 18262 3150 1 6 . 1 1 11 11 THR H H 11 7.197 7.197 7.567 -0.370 18262 3151 1 6 . 1 1 12 12 ASN N N 12 116.465 116.465 118.621 -2.156 18262 3152 1 6 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.187 -0.079 18262 3153 1 6 . 1 1 12 12 ASN CA C 12 51.325 51.325 51.067 0.258 18262 3154 1 6 . 1 1 12 12 ASN CB C 12 40.629 40.629 41.585 -0.956 18262 3155 1 6 . 1 1 12 12 ASN H H 12 7.285 7.285 7.385 -0.100 18262 3156 1 6 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.350 -0.151 18262 3157 1 6 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.656 -0.145 18262 3158 1 6 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.095 0.457 18262 3159 1 6 . 1 1 14 14 GLY N N 14 109.155 109.155 107.638 1.517 18262 3160 1 6 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.572 0.582 18262 3161 1 6 . 1 1 14 14 GLY H H 14 8.364 8.364 8.416 -0.052 18262 3162 1 6 . 1 1 15 15 LEU N N 15 124.654 124.654 123.398 1.256 18262 3163 1 6 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.211 0.126 18262 3164 1 6 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.945 0.602 18262 3165 1 6 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.618 0.052 18262 3166 1 6 . 1 1 15 15 LEU H H 15 7.910 7.910 7.816 0.094 18262 3167 1 6 . 1 1 16 16 ALA N N 16 121.271 121.271 121.692 -0.421 18262 3168 1 6 . 1 1 16 16 ALA HA H 16 4.004 4.004 3.985 0.019 18262 3169 1 6 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.599 0.831 18262 3170 1 6 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.201 1.252 18262 3171 1 6 . 1 1 16 16 ALA H H 16 8.440 8.440 8.651 -0.211 18262 3172 1 6 . 1 1 17 17 GLU N N 17 117.125 117.125 119.862 -2.737 18262 3173 1 6 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.014 -0.053 18262 3174 1 6 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.795 -0.183 18262 3175 1 6 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.773 0.229 18262 3176 1 6 . 1 1 17 17 GLU H H 17 7.971 7.971 8.229 -0.258 18262 3177 1 6 . 1 1 18 18 ASN N N 18 118.526 118.526 118.237 0.289 18262 3178 1 6 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.528 0.015 18262 3179 1 6 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.989 -0.693 18262 3180 1 6 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.736 -0.414 18262 3181 1 6 . 1 1 18 18 ASN H H 18 8.071 8.071 8.323 -0.252 18262 3182 1 6 . 1 1 19 19 PHE N N 19 122.197 122.197 123.336 -1.139 18262 3183 1 6 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.287 -0.412 18262 3184 1 6 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.840 0.460 18262 3185 1 6 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.166 0.333 18262 3186 1 6 . 1 1 19 19 PHE H H 19 9.658 9.658 8.866 0.792 18262 3187 1 6 . 1 1 20 20 MET N N 20 118.488 118.488 117.998 0.490 18262 3188 1 6 . 1 1 20 20 MET HA H 20 4.432 4.432 3.934 0.498 18262 3189 1 6 . 1 1 20 20 MET CA C 20 57.732 57.732 57.729 0.003 18262 3190 1 6 . 1 1 20 20 MET CB C 20 31.999 31.999 31.456 0.543 18262 3191 1 6 . 1 1 20 20 MET H H 20 8.874 8.874 8.820 0.054 18262 3192 1 6 . 1 1 21 21 ASN N N 21 118.434 118.434 118.927 -0.493 18262 3193 1 6 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.465 0.074 18262 3194 1 6 . 1 1 21 21 ASN CA C 21 56.268 56.268 57.198 -0.930 18262 3195 1 6 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.556 -0.570 18262 3196 1 6 . 1 1 21 21 ASN H H 21 8.468 8.468 8.571 -0.103 18262 3197 1 6 . 1 1 22 22 SER N N 22 116.181 116.181 116.470 -0.289 18262 3198 1 6 . 1 1 22 22 SER HA H 22 4.193 4.193 4.228 -0.035 18262 3199 1 6 . 1 1 22 22 SER CA C 22 62.195 62.195 61.864 0.331 18262 3200 1 6 . 1 1 22 22 SER CB C 22 62.997 62.997 63.223 -0.226 18262 3201 1 6 . 1 1 22 22 SER H H 22 7.936 7.936 7.908 0.028 18262 3202 1 6 . 1 1 23 23 PHE N N 23 125.045 125.045 124.441 0.604 18262 3203 1 6 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.107 -0.093 18262 3204 1 6 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.486 -0.023 18262 3205 1 6 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.760 0.209 18262 3206 1 6 . 1 1 23 23 PHE H H 23 9.054 9.054 8.494 0.560 18262 3207 1 6 . 1 1 24 24 MET N N 24 117.336 117.336 119.787 -2.451 18262 3208 1 6 . 1 1 24 24 MET HA H 24 4.029 4.029 3.457 0.572 18262 3209 1 6 . 1 1 24 24 MET CA C 24 56.117 56.117 59.724 -3.607 18262 3210 1 6 . 1 1 24 24 MET CB C 24 30.378 30.378 32.412 -2.034 18262 3211 1 6 . 1 1 24 24 MET H H 24 8.314 8.314 8.530 -0.216 18262 3212 1 6 . 1 1 25 25 GLN N N 25 120.286 120.286 117.021 3.265 18262 3213 1 6 . 1 1 25 25 GLN HA H 25 3.982 3.982 3.918 0.064 18262 3214 1 6 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.410 0.796 18262 3215 1 6 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.538 -0.234 18262 3216 1 6 . 1 1 25 25 GLN H H 25 8.044 8.044 8.075 -0.031 18262 3217 1 6 . 1 1 26 26 GLY N N 26 107.817 107.817 106.823 0.994 18262 3218 1 6 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.190 0.828 18262 3219 1 6 . 1 1 26 26 GLY H H 26 8.101 8.101 7.936 0.165 18262 3220 1 6 . 1 1 27 27 LEU N N 27 122.926 122.926 122.754 0.172 18262 3221 1 6 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.033 -0.247 18262 3222 1 6 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.807 0.587 18262 3223 1 6 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.669 0.439 18262 3224 1 6 . 1 1 27 27 LEU H H 27 8.391 8.391 8.267 0.124 18262 3225 1 6 . 1 1 28 28 SER N N 28 109.497 109.497 113.264 -3.767 18262 3226 1 6 . 1 1 28 28 SER HA H 28 4.150 4.150 4.225 -0.075 18262 3227 1 6 . 1 1 28 28 SER CA C 28 61.223 61.223 60.470 0.753 18262 3228 1 6 . 1 1 28 28 SER CB C 28 63.390 63.390 62.720 0.670 18262 3229 1 6 . 1 1 28 28 SER H H 28 7.519 7.519 8.184 -0.665 18262 3230 1 6 . 1 1 29 29 SER N N 29 114.590 114.590 115.468 -0.878 18262 3231 1 6 . 1 1 29 29 SER HA H 29 4.739 4.739 4.482 0.257 18262 3232 1 6 . 1 1 29 29 SER CA C 29 58.035 58.035 58.647 -0.612 18262 3233 1 6 . 1 1 29 29 SER CB C 29 64.626 64.626 64.294 0.332 18262 3234 1 6 . 1 1 29 29 SER H H 29 7.451 7.451 7.484 -0.033 18262 3235 1 6 . 1 1 30 30 MET N N 30 122.408 122.408 122.384 0.024 18262 3236 1 6 . 1 1 30 30 MET HA H 30 4.946 4.946 4.844 0.102 18262 3237 1 6 . 1 1 30 30 MET CA C 30 53.633 53.633 53.537 0.096 18262 3238 1 6 . 1 1 30 30 MET CB C 30 32.300 32.300 32.488 -0.188 18262 3239 1 6 . 1 1 30 30 MET H H 30 7.659 7.659 7.707 -0.048 18262 3240 1 6 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.459 0.209 18262 3241 1 6 . 1 1 31 31 PRO CA C 31 62.950 62.950 62.627 0.323 18262 3242 1 6 . 1 1 31 31 PRO CB C 31 32.812 32.812 33.047 -0.235 18262 3243 1 6 . 1 1 32 32 GLY N N 32 106.245 106.245 106.073 0.172 18262 3244 1 6 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.289 0.502 18262 3245 1 6 . 1 1 32 32 GLY H H 32 8.407 8.407 8.208 0.199 18262 3246 1 6 . 1 1 33 33 PHE N N 33 116.330 116.330 120.779 -4.449 18262 3247 1 6 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.888 0.269 18262 3248 1 6 . 1 1 33 33 PHE CA C 33 56.933 56.933 56.888 0.045 18262 3249 1 6 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.211 0.901 18262 3250 1 6 . 1 1 33 33 PHE H H 33 7.865 7.865 7.714 0.151 18262 3251 1 6 . 1 1 34 34 THR N N 34 113.680 113.680 113.348 0.332 18262 3252 1 6 . 1 1 34 34 THR HA H 34 4.544 4.544 4.513 0.031 18262 3253 1 6 . 1 1 34 34 THR CA C 34 60.409 60.409 59.491 0.918 18262 3254 1 6 . 1 1 34 34 THR CB C 34 70.714 70.714 71.097 -0.383 18262 3255 1 6 . 1 1 34 34 THR H H 34 8.895 8.895 7.985 0.910 18262 3256 1 6 . 1 1 35 35 ALA N N 35 123.074 123.074 125.579 -2.505 18262 3257 1 6 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.070 0.015 18262 3258 1 6 . 1 1 35 35 ALA CA C 35 55.897 55.897 54.848 1.049 18262 3259 1 6 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.555 -0.387 18262 3260 1 6 . 1 1 35 35 ALA H H 35 8.880 8.880 8.581 0.299 18262 3261 1 6 . 1 1 36 36 SER N N 36 112.915 112.915 114.862 -1.947 18262 3262 1 6 . 1 1 36 36 SER HA H 36 4.273 4.273 4.055 0.218 18262 3263 1 6 . 1 1 36 36 SER CA C 36 61.473 61.473 60.907 0.566 18262 3264 1 6 . 1 1 36 36 SER CB C 36 62.441 62.441 62.682 -0.241 18262 3265 1 6 . 1 1 36 36 SER H H 36 8.413 8.413 8.296 0.117 18262 3266 1 6 . 1 1 37 37 GLN N N 37 121.627 121.627 121.317 0.310 18262 3267 1 6 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.198 0.078 18262 3268 1 6 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.390 0.318 18262 3269 1 6 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.433 0.760 18262 3270 1 6 . 1 1 37 37 GLN H H 37 7.639 7.639 8.445 -0.806 18262 3271 1 6 . 1 1 38 38 LEU N N 38 119.757 119.757 119.389 0.368 18262 3272 1 6 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.926 -0.099 18262 3273 1 6 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.184 0.815 18262 3274 1 6 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.222 -0.196 18262 3275 1 6 . 1 1 38 38 LEU H H 38 8.351 8.351 8.525 -0.174 18262 3276 1 6 . 1 1 39 39 ASP N N 39 122.097 122.097 120.086 2.011 18262 3277 1 6 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.256 0.180 18262 3278 1 6 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.119 -0.339 18262 3279 1 6 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.654 -0.282 18262 3280 1 6 . 1 1 39 39 ASP H H 39 7.962 7.962 7.761 0.201 18262 3281 1 6 . 1 1 40 40 ASP N N 40 122.033 122.033 120.411 1.622 18262 3282 1 6 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.467 0.023 18262 3283 1 6 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.947 0.943 18262 3284 1 6 . 1 1 40 40 ASP CB C 40 40.260 40.260 40.967 -0.707 18262 3285 1 6 . 1 1 40 40 ASP H H 40 8.052 8.052 7.687 0.365 18262 3286 1 6 . 1 1 41 41 MET N N 41 121.130 121.130 119.341 1.789 18262 3287 1 6 . 1 1 41 41 MET HA H 41 4.191 4.191 4.015 0.176 18262 3288 1 6 . 1 1 41 41 MET CA C 41 57.798 57.798 59.762 -1.964 18262 3289 1 6 . 1 1 41 41 MET CB C 41 31.529 31.529 32.371 -0.842 18262 3290 1 6 . 1 1 41 41 MET H H 41 8.708 8.708 7.645 1.063 18262 3291 1 6 . 1 1 42 42 SER N N 42 116.303 116.303 114.604 1.699 18262 3292 1 6 . 1 1 42 42 SER HA H 42 4.301 4.301 4.141 0.160 18262 3293 1 6 . 1 1 42 42 SER CA C 42 62.145 62.145 61.728 0.417 18262 3294 1 6 . 1 1 42 42 SER CB C 42 62.835 62.835 63.027 -0.192 18262 3295 1 6 . 1 1 42 42 SER H H 42 8.364 8.364 8.430 -0.066 18262 3296 1 6 . 1 1 43 43 THR N N 43 119.136 119.136 119.347 -0.211 18262 3297 1 6 . 1 1 43 43 THR HA H 43 4.051 4.051 4.039 0.012 18262 3298 1 6 . 1 1 43 43 THR CA C 43 66.673 66.673 67.026 -0.353 18262 3299 1 6 . 1 1 43 43 THR CB C 43 68.635 68.635 68.941 -0.306 18262 3300 1 6 . 1 1 43 43 THR H H 43 7.944 7.944 7.487 0.457 18262 3301 1 6 . 1 1 44 44 ILE N N 44 122.789 122.789 122.040 0.749 18262 3302 1 6 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.695 0.253 18262 3303 1 6 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.309 -0.662 18262 3304 1 6 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.590 0.457 18262 3305 1 6 . 1 1 44 44 ILE H H 44 7.856 7.856 8.408 -0.552 18262 3306 1 6 . 1 1 45 45 ALA N N 45 124.903 124.903 120.193 4.710 18262 3307 1 6 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.162 -0.028 18262 3308 1 6 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.771 1.308 18262 3309 1 6 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.248 0.730 18262 3310 1 6 . 1 1 45 45 ALA H H 45 8.868 8.868 8.282 0.586 18262 3311 1 6 . 1 1 46 46 GLN N N 46 116.435 116.435 118.054 -1.619 18262 3312 1 6 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.270 -0.206 18262 3313 1 6 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.935 1.038 18262 3314 1 6 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.471 -1.151 18262 3315 1 6 . 1 1 46 46 GLN H H 46 8.253 8.253 7.660 0.593 18262 3316 1 6 . 1 1 47 47 SER N N 47 116.211 116.211 116.685 -0.474 18262 3317 1 6 . 1 1 47 47 SER HA H 47 4.249 4.249 4.113 0.136 18262 3318 1 6 . 1 1 47 47 SER CA C 47 61.766 61.766 61.642 0.124 18262 3319 1 6 . 1 1 47 47 SER CB C 47 62.874 62.874 63.146 -0.272 18262 3320 1 6 . 1 1 47 47 SER H H 47 8.242 8.242 8.409 -0.167 18262 3321 1 6 . 1 1 48 48 MET N N 48 122.179 122.179 120.339 1.840 18262 3322 1 6 . 1 1 48 48 MET HA H 48 4.109 4.109 4.166 -0.057 18262 3323 1 6 . 1 1 48 48 MET CA C 48 57.695 57.695 57.952 -0.257 18262 3324 1 6 . 1 1 48 48 MET CB C 48 31.370 31.370 32.232 -0.862 18262 3325 1 6 . 1 1 48 48 MET H H 48 8.198 8.198 8.257 -0.059 18262 3326 1 6 . 1 1 49 49 VAL N N 49 118.918 118.918 118.439 0.479 18262 3327 1 6 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.568 -0.289 18262 3328 1 6 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.295 1.642 18262 3329 1 6 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.552 0.000 18262 3330 1 6 . 1 1 49 49 VAL H H 49 7.791 7.791 7.688 0.103 18262 3331 1 6 . 1 1 50 50 GLN N N 50 118.407 118.407 119.756 -1.349 18262 3332 1 6 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.841 0.251 18262 3333 1 6 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.623 -0.497 18262 3334 1 6 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.557 -0.354 18262 3335 1 6 . 1 1 50 50 GLN H H 50 8.206 8.206 8.574 -0.368 18262 3336 1 6 . 1 1 51 51 SER N N 51 117.680 117.680 115.636 2.044 18262 3337 1 6 . 1 1 51 51 SER HA H 51 4.209 4.209 4.185 0.024 18262 3338 1 6 . 1 1 51 51 SER CA C 51 62.766 62.766 62.033 0.733 18262 3339 1 6 . 1 1 51 51 SER CB C 51 63.014 63.014 62.397 0.617 18262 3340 1 6 . 1 1 51 51 SER H H 51 8.394 8.394 7.940 0.454 18262 3341 1 6 . 1 1 52 52 ILE N N 52 123.233 123.233 121.436 1.797 18262 3342 1 6 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.762 -0.199 18262 3343 1 6 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.594 0.287 18262 3344 1 6 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.468 0.403 18262 3345 1 6 . 1 1 52 52 ILE H H 52 8.135 8.135 7.198 0.937 18262 3346 1 6 . 1 1 53 53 GLN N N 53 119.911 119.911 120.259 -0.348 18262 3347 1 6 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.033 -0.108 18262 3348 1 6 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.043 0.528 18262 3349 1 6 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.210 -0.277 18262 3350 1 6 . 1 1 53 53 GLN H H 53 8.600 8.600 8.552 0.048 18262 3351 1 6 . 1 1 54 54 SER N N 54 115.414 115.414 115.454 -0.040 18262 3352 1 6 . 1 1 54 54 SER HA H 54 4.308 4.308 4.286 0.022 18262 3353 1 6 . 1 1 54 54 SER CA C 54 61.468 61.468 60.903 0.565 18262 3354 1 6 . 1 1 54 54 SER CB C 54 62.950 62.950 62.952 -0.002 18262 3355 1 6 . 1 1 54 54 SER H H 54 8.304 8.304 8.047 0.257 18262 3356 1 6 . 1 1 55 55 LEU N N 55 121.576 121.576 123.699 -2.123 18262 3357 1 6 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.034 0.031 18262 3358 1 6 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.858 -0.144 18262 3359 1 6 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.733 0.620 18262 3360 1 6 . 1 1 55 55 LEU H H 55 7.881 7.881 7.910 -0.029 18262 3361 1 6 . 1 1 56 56 ALA N N 56 121.244 121.244 118.761 2.483 18262 3362 1 6 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.243 -0.011 18262 3363 1 6 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.139 0.262 18262 3364 1 6 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.450 -0.188 18262 3365 1 6 . 1 1 56 56 ALA H H 56 8.007 8.007 8.234 -0.227 18262 3366 1 6 . 1 1 57 57 ALA N N 57 121.370 121.370 120.576 0.794 18262 3367 1 6 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.119 0.094 18262 3368 1 6 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.719 0.797 18262 3369 1 6 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.518 -0.978 18262 3370 1 6 . 1 1 57 57 ALA H H 57 8.026 8.026 7.765 0.261 18262 3371 1 6 . 1 1 58 58 GLN N N 58 114.464 114.464 115.681 -1.217 18262 3372 1 6 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.496 -0.152 18262 3373 1 6 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.607 0.420 18262 3374 1 6 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.862 -0.175 18262 3375 1 6 . 1 1 58 58 GLN H H 58 7.759 7.759 8.088 -0.329 18262 3376 1 6 . 1 1 59 59 GLY N N 59 108.318 108.318 108.201 0.117 18262 3377 1 6 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.852 0.284 18262 3378 1 6 . 1 1 59 59 GLY H H 59 7.905 7.905 7.846 0.059 18262 3379 1 6 . 1 1 60 60 ARG N N 60 118.325 118.325 120.521 -2.196 18262 3380 1 6 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.638 -0.112 18262 3381 1 6 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.018 0.710 18262 3382 1 6 . 1 1 60 60 ARG CB C 60 31.690 31.690 33.648 -1.958 18262 3383 1 6 . 1 1 60 60 ARG H H 60 8.097 8.097 8.391 -0.294 18262 3384 1 6 . 1 1 61 61 THR N N 61 116.640 116.640 120.930 -4.290 18262 3385 1 6 . 1 1 61 61 THR HA H 61 4.782 4.782 4.442 0.340 18262 3386 1 6 . 1 1 61 61 THR CA C 61 63.339 63.339 62.512 0.827 18262 3387 1 6 . 1 1 61 61 THR CB C 61 68.819 68.819 67.846 0.973 18262 3388 1 6 . 1 1 61 61 THR H H 61 8.038 8.038 8.676 -0.638 18262 3389 1 6 . 1 1 62 62 SER N N 62 119.882 119.882 123.558 -3.676 18262 3390 1 6 . 1 1 62 62 SER HA H 62 4.899 4.899 4.634 0.265 18262 3391 1 6 . 1 1 62 62 SER CA C 62 56.263 56.263 56.727 -0.464 18262 3392 1 6 . 1 1 62 62 SER CB C 62 63.827 63.827 63.426 0.401 18262 3393 1 6 . 1 1 62 62 SER H H 62 7.792 7.792 7.786 0.006 18262 3394 1 6 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.184 0.115 18262 3395 1 6 . 1 1 63 63 PRO CA C 63 65.816 65.816 66.097 -0.282 18262 3396 1 6 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.856 0.361 18262 3397 1 6 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.503 0.044 18262 3398 1 6 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.389 0.806 18262 3399 1 6 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.944 0.126 18262 3400 1 6 . 1 1 65 65 LYS N N 65 121.063 121.063 118.122 2.941 18262 3401 1 6 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.231 -0.049 18262 3402 1 6 . 1 1 65 65 LYS CA C 65 58.552 58.552 57.889 0.662 18262 3403 1 6 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.468 0.239 18262 3404 1 6 . 1 1 65 65 LYS H H 65 7.762 7.762 8.033 -0.271 18262 3405 1 6 . 1 1 66 66 LEU N N 66 119.082 119.082 119.440 -0.358 18262 3406 1 6 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.282 -0.218 18262 3407 1 6 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.241 0.757 18262 3408 1 6 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.900 0.561 18262 3409 1 6 . 1 1 66 66 LEU H H 66 7.934 7.934 7.823 0.111 18262 3410 1 6 . 1 1 67 67 GLN N N 67 119.220 119.220 115.615 3.605 18262 3411 1 6 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.407 -0.200 18262 3412 1 6 . 1 1 67 67 GLN CA C 67 59.087 59.087 57.619 1.468 18262 3413 1 6 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.225 -0.010 18262 3414 1 6 . 1 1 67 67 GLN H H 67 8.201 8.201 7.875 0.326 18262 3415 1 6 . 1 1 68 68 ALA N N 68 121.749 121.749 121.796 -0.047 18262 3416 1 6 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.308 -0.129 18262 3417 1 6 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.407 0.868 18262 3418 1 6 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.118 -2.013 18262 3419 1 6 . 1 1 68 68 ALA H H 68 7.739 7.739 7.634 0.105 18262 3420 1 6 . 1 1 69 69 LEU N N 69 120.591 120.591 119.361 1.230 18262 3421 1 6 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.815 0.180 18262 3422 1 6 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.711 0.263 18262 3423 1 6 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.084 0.254 18262 3424 1 6 . 1 1 69 69 LEU H H 69 7.888 7.888 8.772 -0.884 18262 3425 1 6 . 1 1 70 70 ASN N N 70 119.586 119.586 117.523 2.063 18262 3426 1 6 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.094 -0.563 18262 3427 1 6 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.033 0.987 18262 3428 1 6 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.307 0.541 18262 3429 1 6 . 1 1 70 70 ASN H H 70 8.356 8.356 8.016 0.340 18262 3430 1 6 . 1 1 71 71 MET N N 71 117.354 117.354 118.319 -0.965 18262 3431 1 6 . 1 1 71 71 MET HA H 71 4.271 4.271 4.666 -0.395 18262 3432 1 6 . 1 1 71 71 MET CA C 71 59.088 59.088 57.629 1.459 18262 3433 1 6 . 1 1 71 71 MET CB C 71 32.746 32.746 33.423 -0.678 18262 3434 1 6 . 1 1 71 71 MET H H 71 8.207 8.207 7.570 0.637 18262 3435 1 6 . 1 1 72 72 ALA N N 72 123.354 123.354 123.776 -0.422 18262 3436 1 6 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.965 0.109 18262 3437 1 6 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.249 -0.122 18262 3438 1 6 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.151 0.006 18262 3439 1 6 . 1 1 72 72 ALA H H 72 8.075 8.075 7.921 0.154 18262 3440 1 6 . 1 1 73 73 PHE N N 73 120.968 120.968 115.844 5.124 18262 3441 1 6 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.317 0.201 18262 3442 1 6 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.214 1.218 18262 3443 1 6 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.045 1.552 18262 3444 1 6 . 1 1 73 73 PHE H H 73 8.546 8.546 7.977 0.569 18262 3445 1 6 . 1 1 74 74 ALA N N 74 119.865 119.865 122.953 -3.088 18262 3446 1 6 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.674 0.067 18262 3447 1 6 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.432 0.962 18262 3448 1 6 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.724 2.685 18262 3449 1 6 . 1 1 74 74 ALA H H 74 8.593 8.593 7.488 1.105 18262 3450 1 6 . 1 1 75 75 SER N N 75 112.870 112.870 114.522 -1.652 18262 3451 1 6 . 1 1 75 75 SER HA H 75 3.581 3.581 3.991 -0.410 18262 3452 1 6 . 1 1 75 75 SER CA C 75 61.879 61.879 61.733 0.146 18262 3453 1 6 . 1 1 75 75 SER CB C 75 62.010 62.010 62.446 -0.436 18262 3454 1 6 . 1 1 75 75 SER H H 75 8.501 8.501 8.123 0.378 18262 3455 1 6 . 1 1 76 76 SER N N 76 118.492 118.492 117.185 1.307 18262 3456 1 6 . 1 1 76 76 SER HA H 76 4.301 4.301 4.227 0.074 18262 3457 1 6 . 1 1 76 76 SER CA C 76 62.748 62.748 61.131 1.617 18262 3458 1 6 . 1 1 76 76 SER CB C 76 63.013 63.013 63.249 -0.236 18262 3459 1 6 . 1 1 76 76 SER H H 76 8.152 8.152 7.445 0.707 18262 3460 1 6 . 1 1 77 77 MET N N 77 120.358 120.358 120.485 -0.127 18262 3461 1 6 . 1 1 77 77 MET HA H 77 3.999 3.999 4.379 -0.380 18262 3462 1 6 . 1 1 77 77 MET CA C 77 60.024 60.024 58.396 1.628 18262 3463 1 6 . 1 1 77 77 MET CB C 77 34.657 34.657 32.556 2.101 18262 3464 1 6 . 1 1 77 77 MET H H 77 8.130 8.130 7.535 0.595 18262 3465 1 6 . 1 1 78 78 ALA N N 78 121.547 121.547 123.201 -1.654 18262 3466 1 6 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.064 -0.138 18262 3467 1 6 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.645 -0.049 18262 3468 1 6 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.063 2.336 18262 3469 1 6 . 1 1 78 78 ALA H H 78 8.534 8.534 8.233 0.301 18262 3470 1 6 . 1 1 79 79 GLU N N 79 116.654 116.654 117.013 -0.359 18262 3471 1 6 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.101 -0.121 18262 3472 1 6 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.694 0.708 18262 3473 1 6 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.213 0.610 18262 3474 1 6 . 1 1 79 79 GLU H H 79 7.557 7.557 7.779 -0.222 18262 3475 1 6 . 1 1 80 80 ILE N N 80 118.293 118.293 119.512 -1.219 18262 3476 1 6 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.026 -0.068 18262 3477 1 6 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.900 -0.115 18262 3478 1 6 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.438 -0.132 18262 3479 1 6 . 1 1 80 80 ILE H H 80 7.239 7.239 7.299 -0.060 18262 3480 1 6 . 1 1 81 81 ALA N N 81 121.511 121.511 123.320 -1.809 18262 3481 1 6 . 1 1 81 81 ALA HA H 81 3.960 3.960 3.967 -0.007 18262 3482 1 6 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.827 -0.089 18262 3483 1 6 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.465 -0.508 18262 3484 1 6 . 1 1 81 81 ALA H H 81 8.595 8.595 8.723 -0.128 18262 3485 1 6 . 1 1 82 82 ALA N N 82 116.183 116.183 117.905 -1.722 18262 3486 1 6 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.227 0.061 18262 3487 1 6 . 1 1 82 82 ALA CA C 82 52.601 52.601 52.509 0.092 18262 3488 1 6 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.428 0.966 18262 3489 1 6 . 1 1 82 82 ALA H H 82 8.001 8.001 7.935 0.066 18262 3490 1 6 . 1 1 83 83 SER N N 83 113.212 113.212 114.791 -1.579 18262 3491 1 6 . 1 1 83 83 SER HA H 83 4.319 4.319 4.516 -0.197 18262 3492 1 6 . 1 1 83 83 SER CA C 83 59.243 59.243 56.943 2.300 18262 3493 1 6 . 1 1 83 83 SER CB C 83 63.971 63.971 62.778 1.193 18262 3494 1 6 . 1 1 83 83 SER H H 83 7.391 7.391 7.461 -0.070 18262 3495 1 6 . 1 1 84 84 GLU N N 84 123.385 123.385 128.851 -5.466 18262 3496 1 6 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.544 -0.113 18262 3497 1 6 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.160 0.496 18262 3498 1 6 . 1 1 84 84 GLU CB C 84 30.576 30.576 28.971 1.605 18262 3499 1 6 . 1 1 84 84 GLU H H 84 8.421 8.421 8.432 -0.011 18262 3500 1 6 . 1 1 85 85 GLU N N 85 121.674 121.674 124.492 -2.818 18262 3501 1 6 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.507 -0.233 18262 3502 1 6 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.355 1.772 18262 3503 1 6 . 1 1 85 85 GLU CB C 85 30.191 30.191 31.695 -1.504 18262 3504 1 6 . 1 1 85 85 GLU H H 85 8.407 8.407 7.818 0.589 18262 3505 1 6 . 1 1 86 86 GLY N N 86 110.617 110.617 107.158 3.459 18262 3506 1 6 . 1 1 86 86 GLY CA C 86 45.724 45.724 46.500 -0.776 18262 3507 1 6 . 1 1 86 86 GLY H H 86 8.564 8.564 8.612 -0.048 18262 3508 1 6 . 1 1 87 87 GLY N N 87 108.562 108.562 108.462 0.100 18262 3509 1 6 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.143 0.323 18262 3510 1 6 . 1 1 87 87 GLY H H 87 8.257 8.257 8.218 0.039 18262 3511 1 6 . 1 1 88 88 GLY N N 88 107.890 107.890 105.501 2.389 18262 3512 1 6 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.471 0.413 18262 3513 1 6 . 1 1 88 88 GLY H H 88 8.100 8.100 7.748 0.352 18262 3514 1 6 . 1 1 89 89 SER N N 89 115.889 115.889 115.480 0.409 18262 3515 1 6 . 1 1 89 89 SER HA H 89 4.594 4.594 4.586 0.008 18262 3516 1 6 . 1 1 89 89 SER CA C 89 57.382 57.382 58.017 -0.635 18262 3517 1 6 . 1 1 89 89 SER CB C 89 65.271 65.271 64.133 1.138 18262 3518 1 6 . 1 1 89 89 SER H H 89 8.474 8.474 8.422 0.052 18262 3519 1 6 . 1 1 90 90 LEU N N 90 124.688 124.688 123.488 1.200 18262 3520 1 6 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.162 -0.038 18262 3521 1 6 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.580 0.980 18262 3522 1 6 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.146 -0.728 18262 3523 1 6 . 1 1 90 90 LEU H H 90 8.867 8.867 9.274 -0.407 18262 3524 1 6 . 1 1 91 91 SER N N 91 114.045 114.045 111.614 2.431 18262 3525 1 6 . 1 1 91 91 SER CA C 91 61.331 61.331 60.825 0.506 18262 3526 1 6 . 1 1 91 91 SER CB C 91 62.080 62.080 62.781 -0.701 18262 3527 1 6 . 1 1 91 91 SER H H 91 8.501 8.501 8.628 -0.127 18262 3528 1 6 . 1 1 92 92 THR N N 92 121.036 121.036 115.920 5.116 18262 3529 1 6 . 1 1 92 92 THR HA H 92 4.006 4.006 4.530 -0.524 18262 3530 1 6 . 1 1 92 92 THR CA C 92 66.537 66.537 63.489 3.048 18262 3531 1 6 . 1 1 92 92 THR CB C 92 68.326 68.326 69.195 -0.870 18262 3532 1 6 . 1 1 92 92 THR H H 92 7.818 7.818 7.631 0.187 18262 3533 1 6 . 1 1 93 93 LYS N N 93 120.426 120.426 122.423 -1.997 18262 3534 1 6 . 1 1 93 93 LYS HA H 93 3.789 3.789 4.116 -0.327 18262 3535 1 6 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.028 2.086 18262 3536 1 6 . 1 1 93 93 LYS CB C 93 33.469 33.469 32.218 1.252 18262 3537 1 6 . 1 1 93 93 LYS H H 93 8.146 8.146 7.731 0.415 18262 3538 1 6 . 1 1 94 94 THR N N 94 111.775 111.775 111.864 -0.089 18262 3539 1 6 . 1 1 94 94 THR HA H 94 3.933 3.933 4.205 -0.272 18262 3540 1 6 . 1 1 94 94 THR CA C 94 67.228 67.228 66.124 1.105 18262 3541 1 6 . 1 1 94 94 THR CB C 94 68.083 68.083 68.154 -0.071 18262 3542 1 6 . 1 1 94 94 THR H H 94 8.881 8.881 7.893 0.988 18262 3543 1 6 . 1 1 95 95 SER N N 95 119.066 119.066 117.566 1.500 18262 3544 1 6 . 1 1 95 95 SER HA H 95 4.397 4.397 4.200 0.197 18262 3545 1 6 . 1 1 95 95 SER CA C 95 62.060 62.060 61.951 0.109 18262 3546 1 6 . 1 1 95 95 SER CB C 95 62.693 62.693 62.852 -0.159 18262 3547 1 6 . 1 1 95 95 SER H H 95 8.134 8.134 8.081 0.053 18262 3548 1 6 . 1 1 96 96 SER N N 96 121.588 121.588 119.477 2.111 18262 3549 1 6 . 1 1 96 96 SER HA H 96 4.462 4.462 4.376 0.086 18262 3550 1 6 . 1 1 96 96 SER CA C 96 62.623 62.623 61.383 1.240 18262 3551 1 6 . 1 1 96 96 SER CB C 96 62.866 62.866 63.390 -0.524 18262 3552 1 6 . 1 1 96 96 SER H H 96 8.642 8.642 7.607 1.035 18262 3553 1 6 . 1 1 97 97 ILE N N 97 122.467 122.467 123.997 -1.530 18262 3554 1 6 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.873 -0.076 18262 3555 1 6 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.624 1.210 18262 3556 1 6 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.656 1.059 18262 3557 1 6 . 1 1 97 97 ILE H H 97 8.482 8.482 8.087 0.395 18262 3558 1 6 . 1 1 98 98 ALA N N 98 122.100 122.100 121.825 0.275 18262 3559 1 6 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.025 0.029 18262 3560 1 6 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.407 0.821 18262 3561 1 6 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.196 0.221 18262 3562 1 6 . 1 1 98 98 ALA H H 98 8.437 8.437 8.114 0.323 18262 3563 1 6 . 1 1 99 99 SER N N 99 115.737 115.737 115.284 0.453 18262 3564 1 6 . 1 1 99 99 SER HA H 99 4.366 4.366 4.208 0.158 18262 3565 1 6 . 1 1 99 99 SER CA C 99 62.029 62.029 62.339 -0.310 18262 3566 1 6 . 1 1 99 99 SER CB C 99 63.230 63.230 62.982 0.248 18262 3567 1 6 . 1 1 99 99 SER H H 99 8.658 8.658 7.862 0.796 18262 3568 1 6 . 1 1 100 100 ALA N N 100 124.292 124.292 125.225 -0.933 18262 3569 1 6 . 1 1 100 100 ALA HA H 100 4.245 4.245 4.009 0.236 18262 3570 1 6 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.321 0.070 18262 3571 1 6 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.422 0.070 18262 3572 1 6 . 1 1 100 100 ALA H H 100 8.976 8.976 8.612 0.364 18262 3573 1 6 . 1 1 101 101 MET N N 101 119.143 119.143 117.578 1.565 18262 3574 1 6 . 1 1 101 101 MET HA H 101 4.054 4.054 4.009 0.045 18262 3575 1 6 . 1 1 101 101 MET CA C 101 61.026 61.026 59.592 1.434 18262 3576 1 6 . 1 1 101 101 MET CB C 101 34.483 34.483 32.619 1.864 18262 3577 1 6 . 1 1 101 101 MET H H 101 9.063 9.063 8.335 0.728 18262 3578 1 6 . 1 1 102 102 SER N N 102 116.778 116.778 115.585 1.193 18262 3579 1 6 . 1 1 102 102 SER HA H 102 4.363 4.363 4.236 0.127 18262 3580 1 6 . 1 1 102 102 SER CA C 102 63.348 63.348 62.065 1.283 18262 3581 1 6 . 1 1 102 102 SER CB C 102 62.593 62.593 63.085 -0.492 18262 3582 1 6 . 1 1 102 102 SER H H 102 8.693 8.693 8.267 0.426 18262 3583 1 6 . 1 1 103 103 ASN N N 103 117.982 117.982 119.763 -1.781 18262 3584 1 6 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.550 -0.086 18262 3585 1 6 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.800 0.862 18262 3586 1 6 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.376 0.141 18262 3587 1 6 . 1 1 103 103 ASN H H 103 8.108 8.108 8.290 -0.182 18262 3588 1 6 . 1 1 104 104 ALA N N 104 122.272 122.272 122.865 -0.593 18262 3589 1 6 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.041 0.199 18262 3590 1 6 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.334 -0.491 18262 3591 1 6 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.328 -0.095 18262 3592 1 6 . 1 1 104 104 ALA H H 104 7.892 7.892 8.156 -0.264 18262 3593 1 6 . 1 1 105 105 PHE N N 105 119.096 119.096 119.570 -0.474 18262 3594 1 6 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.745 -0.345 18262 3595 1 6 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.135 4.708 18262 3596 1 6 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.635 -0.148 18262 3597 1 6 . 1 1 105 105 PHE H H 105 8.580 8.580 8.478 0.102 18262 3598 1 6 . 1 1 106 106 LEU N N 106 121.540 121.540 119.578 1.962 18262 3599 1 6 . 1 1 106 106 LEU HA H 106 3.736 3.736 3.828 -0.092 18262 3600 1 6 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.994 1.162 18262 3601 1 6 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.613 -0.278 18262 3602 1 6 . 1 1 106 106 LEU H H 106 8.226 8.226 7.822 0.404 18262 3603 1 6 . 1 1 107 107 GLN N N 107 114.603 114.603 118.253 -3.650 18262 3604 1 6 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.196 -0.006 18262 3605 1 6 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.480 -1.062 18262 3606 1 6 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.583 0.908 18262 3607 1 6 . 1 1 107 107 GLN H H 107 8.132 8.132 8.430 -0.298 18262 3608 1 6 . 1 1 108 108 THR N N 108 108.290 108.290 112.694 -4.404 18262 3609 1 6 . 1 1 108 108 THR HA H 108 4.518 4.518 4.236 0.282 18262 3610 1 6 . 1 1 108 108 THR CA C 108 62.483 62.483 64.966 -2.483 18262 3611 1 6 . 1 1 108 108 THR CB C 108 70.390 70.390 69.030 1.360 18262 3612 1 6 . 1 1 108 108 THR H H 108 7.726 7.726 8.026 -0.300 18262 3613 1 6 . 1 1 109 109 THR N N 109 113.407 113.407 112.316 1.091 18262 3614 1 6 . 1 1 109 109 THR HA H 109 4.586 4.586 4.327 0.259 18262 3615 1 6 . 1 1 109 109 THR CA C 109 62.325 62.325 61.578 0.747 18262 3616 1 6 . 1 1 109 109 THR CB C 109 70.696 70.696 69.346 1.350 18262 3617 1 6 . 1 1 109 109 THR H H 109 8.907 8.907 7.609 1.298 18262 3618 1 6 . 1 1 110 110 GLY N N 110 109.267 109.267 110.052 -0.785 18262 3619 1 6 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.882 -0.314 18262 3620 1 6 . 1 1 110 110 GLY H H 110 8.361 8.361 7.981 0.380 18262 3621 1 6 . 1 1 111 111 VAL N N 111 119.375 119.375 121.909 -2.534 18262 3622 1 6 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.225 0.030 18262 3623 1 6 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.370 -0.488 18262 3624 1 6 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.483 1.953 18262 3625 1 6 . 1 1 111 111 VAL H H 111 7.784 7.784 7.441 0.343 18262 3626 1 6 . 1 1 112 112 VAL N N 112 125.327 125.327 124.796 0.531 18262 3627 1 6 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.576 -1.364 18262 3628 1 6 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.370 4.109 18262 3629 1 6 . 1 1 112 112 VAL CB C 112 32.696 32.696 35.364 -2.668 18262 3630 1 6 . 1 1 112 112 VAL H H 112 8.747 8.747 8.377 0.370 18262 3631 1 6 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.872 -0.370 18262 3632 1 6 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.197 -2.004 18262 3633 1 6 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.565 -1.443 18262 3634 1 6 . 1 1 114 114 GLN N N 114 124.067 124.067 127.958 -3.891 18262 3635 1 6 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.357 -0.420 18262 3636 1 6 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.551 -1.133 18262 3637 1 6 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.147 -0.600 18262 3638 1 6 . 1 1 114 114 GLN H H 114 8.394 8.394 8.605 -0.211 18262 3639 1 6 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.108 0.142 18262 3640 1 6 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.030 0.642 18262 3641 1 6 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.179 0.120 18262 3642 1 6 . 1 1 116 116 PHE N N 116 117.820 117.820 118.150 -0.330 18262 3643 1 6 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.153 0.049 18262 3644 1 6 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.365 -0.034 18262 3645 1 6 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.975 0.544 18262 3646 1 6 . 1 1 116 116 PHE H H 116 7.268 7.268 8.564 -1.296 18262 3647 1 6 . 1 1 117 117 ILE N N 117 119.434 119.434 119.114 0.320 18262 3648 1 6 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.414 0.120 18262 3649 1 6 . 1 1 117 117 ILE CA C 117 65.747 65.747 64.849 0.898 18262 3650 1 6 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.615 0.580 18262 3651 1 6 . 1 1 117 117 ILE H H 117 7.641 7.641 7.856 -0.215 18262 3652 1 6 . 1 1 118 118 ASN N N 118 119.834 119.834 116.451 3.383 18262 3653 1 6 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.717 -0.404 18262 3654 1 6 . 1 1 118 118 ASN CA C 118 55.701 55.701 54.648 1.052 18262 3655 1 6 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.311 -0.790 18262 3656 1 6 . 1 1 118 118 ASN H H 118 8.985 8.985 8.263 0.722 18262 3657 1 6 . 1 1 119 119 GLU N N 119 121.164 121.164 120.809 0.355 18262 3658 1 6 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.219 -0.196 18262 3659 1 6 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.578 1.058 18262 3660 1 6 . 1 1 119 119 GLU CB C 119 29.716 29.716 30.398 -0.682 18262 3661 1 6 . 1 1 119 119 GLU H H 119 8.090 8.090 7.464 0.626 18262 3662 1 6 . 1 1 120 120 ILE N N 120 117.906 117.906 119.570 -1.664 18262 3663 1 6 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.675 0.079 18262 3664 1 6 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.109 -1.141 18262 3665 1 6 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.579 -0.765 18262 3666 1 6 . 1 1 120 120 ILE H H 120 8.025 8.025 8.498 -0.473 18262 3667 1 6 . 1 1 121 121 THR N N 121 112.720 112.720 112.843 -0.123 18262 3668 1 6 . 1 1 121 121 THR HA H 121 3.767 3.767 3.910 -0.143 18262 3669 1 6 . 1 1 121 121 THR CA C 121 67.203 67.203 66.564 0.639 18262 3670 1 6 . 1 1 121 121 THR CB C 121 68.380 68.380 68.022 0.358 18262 3671 1 6 . 1 1 121 121 THR H H 121 8.665 8.665 7.901 0.764 18262 3672 1 6 . 1 1 122 122 GLN N N 122 123.165 123.165 121.038 2.127 18262 3673 1 6 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.195 -0.107 18262 3674 1 6 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.112 1.150 18262 3675 1 6 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.118 0.043 18262 3676 1 6 . 1 1 122 122 GLN H H 122 8.128 8.128 7.514 0.614 18262 3677 1 6 . 1 1 123 123 LEU N N 123 120.702 120.702 121.016 -0.314 18262 3678 1 6 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.561 0.362 18262 3679 1 6 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.999 0.119 18262 3680 1 6 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.387 1.603 18262 3681 1 6 . 1 1 123 123 LEU H H 123 8.173 8.173 8.286 -0.113 18262 3682 1 6 . 1 1 124 124 VAL N N 124 118.840 118.840 118.240 0.600 18262 3683 1 6 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.803 -0.188 18262 3684 1 6 . 1 1 124 124 VAL CA C 124 67.324 67.324 65.957 1.367 18262 3685 1 6 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.739 0.814 18262 3686 1 6 . 1 1 124 124 VAL H H 124 8.742 8.742 8.443 0.299 18262 3687 1 6 . 1 1 125 125 SER N N 125 112.613 112.613 115.184 -2.571 18262 3688 1 6 . 1 1 125 125 SER HA H 125 4.050 4.050 4.106 -0.056 18262 3689 1 6 . 1 1 125 125 SER CA C 125 62.568 62.568 61.921 0.647 18262 3690 1 6 . 1 1 125 125 SER CB C 125 62.960 62.960 62.895 0.064 18262 3691 1 6 . 1 1 125 125 SER H H 125 7.883 7.883 7.493 0.390 18262 3692 1 6 . 1 1 126 126 MET N N 126 120.939 120.939 121.688 -0.749 18262 3693 1 6 . 1 1 126 126 MET HA H 126 4.052 4.052 4.083 -0.031 18262 3694 1 6 . 1 1 126 126 MET CA C 126 59.009 59.009 59.005 0.004 18262 3695 1 6 . 1 1 126 126 MET CB C 126 32.780 32.780 32.507 0.273 18262 3696 1 6 . 1 1 126 126 MET H H 126 8.091 8.091 8.025 0.066 18262 3697 1 6 . 1 1 127 127 PHE N N 127 118.732 118.732 117.894 0.838 18262 3698 1 6 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.161 0.304 18262 3699 1 6 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.710 -0.114 18262 3700 1 6 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.698 1.213 18262 3701 1 6 . 1 1 127 127 PHE H H 127 8.755 8.755 8.487 0.268 18262 3702 1 6 . 1 1 128 128 ALA N N 128 121.647 121.647 121.043 0.604 18262 3703 1 6 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.039 0.178 18262 3704 1 6 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.725 -0.221 18262 3705 1 6 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.455 1.102 18262 3706 1 6 . 1 1 128 128 ALA H H 128 8.638 8.638 7.714 0.924 18262 3707 1 6 . 1 1 129 129 GLN N N 129 115.892 115.892 116.737 -0.845 18262 3708 1 6 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.194 0.029 18262 3709 1 6 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.496 -0.256 18262 3710 1 6 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.086 0.291 18262 3711 1 6 . 1 1 129 129 GLN H H 129 7.789 7.789 7.522 0.267 18262 3712 1 6 . 1 1 130 130 ALA N N 130 122.349 122.349 121.298 1.051 18262 3713 1 6 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.191 0.080 18262 3714 1 6 . 1 1 130 130 ALA CA C 130 53.907 53.907 53.226 0.681 18262 3715 1 6 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.080 -0.095 18262 3716 1 6 . 1 1 130 130 ALA H H 130 7.791 7.791 7.948 -0.157 18262 3717 1 6 . 1 1 131 131 GLY N N 131 106.497 106.497 107.316 -0.819 18262 3718 1 6 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.832 -0.060 18262 3719 1 6 . 1 1 131 131 GLY H H 131 8.157 8.157 7.947 0.210 18262 3720 1 6 . 1 1 132 132 MET N N 132 119.229 119.229 116.842 2.387 18262 3721 1 6 . 1 1 132 132 MET HA H 132 4.473 4.473 4.571 -0.098 18262 3722 1 6 . 1 1 132 132 MET CA C 132 55.973 55.973 55.034 0.939 18262 3723 1 6 . 1 1 132 132 MET CB C 132 33.129 33.129 32.607 0.522 18262 3724 1 6 . 1 1 132 132 MET H H 132 7.929 7.929 8.431 -0.502 18262 3725 1 6 . 1 1 133 133 ASN N N 133 118.982 118.982 117.762 1.220 18262 3726 1 6 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.696 0.045 18262 3727 1 6 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.624 -0.257 18262 3728 1 6 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.031 0.318 18262 3729 1 6 . 1 1 133 133 ASN H H 133 8.334 8.334 8.201 0.133 18262 3730 1 6 . 1 1 134 134 ASP N N 134 120.983 120.983 117.735 3.248 18262 3731 1 6 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.720 -0.077 18262 3732 1 6 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.089 1.418 18262 3733 1 6 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.454 0.829 18262 3734 1 6 . 1 1 134 134 ASP H H 134 8.282 8.282 7.725 0.557 18262 3735 1 6 . 1 1 135 135 VAL N N 135 119.922 119.922 122.417 -2.495 18262 3736 1 6 . 1 1 135 135 VAL HA H 135 4.197 4.197 3.947 0.250 18262 3737 1 6 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.970 -1.643 18262 3738 1 6 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.234 0.480 18262 3739 1 6 . 1 1 135 135 VAL H H 135 8.080 8.080 8.344 -0.264 18262 3740 1 6 . 1 1 136 136 SER N N 136 119.994 119.994 117.380 2.614 18262 3741 1 6 . 1 1 136 136 SER HA H 136 4.459 4.459 4.601 -0.142 18262 3742 1 6 . 1 1 136 136 SER CA C 136 58.412 58.412 57.798 0.614 18262 3743 1 6 . 1 1 136 136 SER CB C 136 64.068 64.068 62.087 1.981 18262 3744 1 6 . 1 1 136 136 SER H H 136 8.397 8.397 8.136 0.261 18262 3745 1 7 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.693 0.577 18262 3746 1 7 . 1 1 4 4 ASN N N 4 124.122 124.122 119.275 4.847 18262 3747 1 7 . 1 1 4 4 ASN CA C 4 54.827 54.827 54.812 0.015 18262 3748 1 7 . 1 1 4 4 ASN H H 4 7.979 7.979 8.608 -0.629 18262 3749 1 7 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.783 -0.091 18262 3750 1 7 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.152 0.916 18262 3751 1 7 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.090 1.012 18262 3752 1 7 . 1 1 7 7 THR N N 7 115.462 115.462 117.377 -1.915 18262 3753 1 7 . 1 1 7 7 THR HA H 7 4.312 4.312 4.149 0.163 18262 3754 1 7 . 1 1 7 7 THR CA C 7 62.316 62.316 63.647 -1.331 18262 3755 1 7 . 1 1 7 7 THR CB C 7 69.849 69.849 68.722 1.127 18262 3756 1 7 . 1 1 7 7 THR H H 7 8.132 8.132 7.761 0.371 18262 3757 1 7 . 1 1 8 8 THR N N 8 115.752 115.752 118.482 -2.730 18262 3758 1 7 . 1 1 8 8 THR HA H 8 4.164 4.164 4.016 0.148 18262 3759 1 7 . 1 1 8 8 THR CA C 8 58.419 58.419 57.807 0.612 18262 3760 1 7 . 1 1 8 8 THR CB C 8 69.385 69.385 69.302 0.083 18262 3761 1 7 . 1 1 8 8 THR H H 8 7.981 7.981 7.794 0.187 18262 3762 1 7 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.154 -0.202 18262 3763 1 7 . 1 1 9 9 PRO CA C 9 63.035 63.035 62.984 0.051 18262 3764 1 7 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.180 0.479 18262 3765 1 7 . 1 1 10 10 TRP N N 10 111.703 111.703 116.361 -4.658 18262 3766 1 7 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.744 0.152 18262 3767 1 7 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.757 -1.288 18262 3768 1 7 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.511 1.735 18262 3769 1 7 . 1 1 10 10 TRP H H 10 6.710 6.710 7.206 -0.496 18262 3770 1 7 . 1 1 11 11 THR N N 11 106.459 106.459 112.670 -6.211 18262 3771 1 7 . 1 1 11 11 THR HA H 11 3.893 3.893 4.160 -0.267 18262 3772 1 7 . 1 1 11 11 THR CA C 11 64.050 64.050 64.027 0.023 18262 3773 1 7 . 1 1 11 11 THR CB C 11 69.312 69.312 68.990 0.321 18262 3774 1 7 . 1 1 11 11 THR H H 11 7.197 7.197 7.575 -0.378 18262 3775 1 7 . 1 1 12 12 ASN N N 12 116.465 116.465 118.962 -2.497 18262 3776 1 7 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.170 -0.062 18262 3777 1 7 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.878 0.447 18262 3778 1 7 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.555 0.074 18262 3779 1 7 . 1 1 12 12 ASN H H 12 7.285 7.285 7.500 -0.215 18262 3780 1 7 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.284 -0.085 18262 3781 1 7 . 1 1 13 13 PRO CA C 13 65.511 65.511 66.028 -0.517 18262 3782 1 7 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.087 0.465 18262 3783 1 7 . 1 1 14 14 GLY N N 14 109.155 109.155 106.601 2.554 18262 3784 1 7 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.824 0.330 18262 3785 1 7 . 1 1 14 14 GLY H H 14 8.364 8.364 8.630 -0.266 18262 3786 1 7 . 1 1 15 15 LEU N N 15 124.654 124.654 123.320 1.334 18262 3787 1 7 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.228 0.109 18262 3788 1 7 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.878 0.669 18262 3789 1 7 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.608 0.062 18262 3790 1 7 . 1 1 15 15 LEU H H 15 7.910 7.910 7.758 0.152 18262 3791 1 7 . 1 1 16 16 ALA N N 16 121.271 121.271 122.570 -1.299 18262 3792 1 7 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.202 -0.198 18262 3793 1 7 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.266 1.164 18262 3794 1 7 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.386 1.067 18262 3795 1 7 . 1 1 16 16 ALA H H 16 8.440 8.440 8.680 -0.240 18262 3796 1 7 . 1 1 17 17 GLU N N 17 117.125 117.125 119.727 -2.602 18262 3797 1 7 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.941 0.020 18262 3798 1 7 . 1 1 17 17 GLU CA C 17 59.613 59.613 60.015 -0.402 18262 3799 1 7 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.703 0.299 18262 3800 1 7 . 1 1 17 17 GLU H H 17 7.971 7.971 8.594 -0.623 18262 3801 1 7 . 1 1 18 18 ASN N N 18 118.526 118.526 118.195 0.331 18262 3802 1 7 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.531 0.012 18262 3803 1 7 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.893 -0.597 18262 3804 1 7 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.736 -0.414 18262 3805 1 7 . 1 1 18 18 ASN H H 18 8.071 8.071 8.222 -0.151 18262 3806 1 7 . 1 1 19 19 PHE N N 19 122.197 122.197 123.540 -1.343 18262 3807 1 7 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.302 -0.427 18262 3808 1 7 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.778 0.522 18262 3809 1 7 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.192 0.307 18262 3810 1 7 . 1 1 19 19 PHE H H 19 9.658 9.658 8.997 0.661 18262 3811 1 7 . 1 1 20 20 MET N N 20 118.488 118.488 118.043 0.445 18262 3812 1 7 . 1 1 20 20 MET HA H 20 4.432 4.432 3.966 0.466 18262 3813 1 7 . 1 1 20 20 MET CA C 20 57.732 57.732 57.394 0.338 18262 3814 1 7 . 1 1 20 20 MET CB C 20 31.999 31.999 31.193 0.806 18262 3815 1 7 . 1 1 20 20 MET H H 20 8.874 8.874 8.723 0.151 18262 3816 1 7 . 1 1 21 21 ASN N N 21 118.434 118.434 119.637 -1.203 18262 3817 1 7 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.375 0.164 18262 3818 1 7 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.484 -0.216 18262 3819 1 7 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.520 -0.534 18262 3820 1 7 . 1 1 21 21 ASN H H 21 8.468 8.468 8.765 -0.297 18262 3821 1 7 . 1 1 22 22 SER N N 22 116.181 116.181 115.986 0.195 18262 3822 1 7 . 1 1 22 22 SER HA H 22 4.193 4.193 4.222 -0.029 18262 3823 1 7 . 1 1 22 22 SER CA C 22 62.195 62.195 61.864 0.331 18262 3824 1 7 . 1 1 22 22 SER CB C 22 62.997 62.997 63.193 -0.196 18262 3825 1 7 . 1 1 22 22 SER H H 22 7.936 7.936 8.027 -0.091 18262 3826 1 7 . 1 1 23 23 PHE N N 23 125.045 125.045 124.259 0.786 18262 3827 1 7 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.133 -0.119 18262 3828 1 7 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.003 -0.540 18262 3829 1 7 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.875 0.094 18262 3830 1 7 . 1 1 23 23 PHE H H 23 9.054 9.054 8.091 0.963 18262 3831 1 7 . 1 1 24 24 MET N N 24 117.336 117.336 117.527 -0.191 18262 3832 1 7 . 1 1 24 24 MET HA H 24 4.029 4.029 3.598 0.431 18262 3833 1 7 . 1 1 24 24 MET CA C 24 56.117 56.117 59.472 -3.355 18262 3834 1 7 . 1 1 24 24 MET CB C 24 30.378 30.378 31.814 -1.436 18262 3835 1 7 . 1 1 24 24 MET H H 24 8.314 8.314 8.602 -0.288 18262 3836 1 7 . 1 1 25 25 GLN N N 25 120.286 120.286 118.542 1.744 18262 3837 1 7 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.008 -0.026 18262 3838 1 7 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.067 1.139 18262 3839 1 7 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.433 -0.129 18262 3840 1 7 . 1 1 25 25 GLN H H 25 8.044 8.044 7.784 0.260 18262 3841 1 7 . 1 1 26 26 GLY N N 26 107.817 107.817 106.744 1.073 18262 3842 1 7 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.194 0.824 18262 3843 1 7 . 1 1 26 26 GLY H H 26 8.101 8.101 7.826 0.275 18262 3844 1 7 . 1 1 27 27 LEU N N 27 122.926 122.926 122.498 0.428 18262 3845 1 7 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.059 -0.273 18262 3846 1 7 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.487 0.907 18262 3847 1 7 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.414 0.694 18262 3848 1 7 . 1 1 27 27 LEU H H 27 8.391 8.391 8.199 0.192 18262 3849 1 7 . 1 1 28 28 SER N N 28 109.497 109.497 114.380 -4.883 18262 3850 1 7 . 1 1 28 28 SER HA H 28 4.150 4.150 4.274 -0.124 18262 3851 1 7 . 1 1 28 28 SER CA C 28 61.223 61.223 60.199 1.024 18262 3852 1 7 . 1 1 28 28 SER CB C 28 63.390 63.390 62.407 0.983 18262 3853 1 7 . 1 1 28 28 SER H H 28 7.519 7.519 8.107 -0.588 18262 3854 1 7 . 1 1 29 29 SER N N 29 114.590 114.590 114.619 -0.029 18262 3855 1 7 . 1 1 29 29 SER HA H 29 4.739 4.739 4.540 0.199 18262 3856 1 7 . 1 1 29 29 SER CA C 29 58.035 58.035 58.307 -0.272 18262 3857 1 7 . 1 1 29 29 SER CB C 29 64.626 64.626 64.015 0.611 18262 3858 1 7 . 1 1 29 29 SER H H 29 7.451 7.451 7.431 0.020 18262 3859 1 7 . 1 1 30 30 MET N N 30 122.408 122.408 122.819 -0.411 18262 3860 1 7 . 1 1 30 30 MET HA H 30 4.946 4.946 4.804 0.142 18262 3861 1 7 . 1 1 30 30 MET CA C 30 53.633 53.633 53.272 0.361 18262 3862 1 7 . 1 1 30 30 MET CB C 30 32.300 32.300 32.456 -0.156 18262 3863 1 7 . 1 1 30 30 MET H H 30 7.659 7.659 7.474 0.185 18262 3864 1 7 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.438 0.230 18262 3865 1 7 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.245 -0.295 18262 3866 1 7 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.566 0.245 18262 3867 1 7 . 1 1 32 32 GLY N N 32 106.245 106.245 105.601 0.644 18262 3868 1 7 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.250 0.541 18262 3869 1 7 . 1 1 32 32 GLY H H 32 8.407 8.407 8.632 -0.225 18262 3870 1 7 . 1 1 33 33 PHE N N 33 116.330 116.330 119.334 -3.004 18262 3871 1 7 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.833 0.324 18262 3872 1 7 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.398 -0.465 18262 3873 1 7 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.304 0.808 18262 3874 1 7 . 1 1 33 33 PHE H H 33 7.865 7.865 7.481 0.384 18262 3875 1 7 . 1 1 34 34 THR N N 34 113.680 113.680 113.936 -0.256 18262 3876 1 7 . 1 1 34 34 THR HA H 34 4.544 4.544 4.568 -0.024 18262 3877 1 7 . 1 1 34 34 THR CA C 34 60.409 60.409 60.993 -0.584 18262 3878 1 7 . 1 1 34 34 THR CB C 34 70.714 70.714 71.770 -1.056 18262 3879 1 7 . 1 1 34 34 THR H H 34 8.895 8.895 7.810 1.085 18262 3880 1 7 . 1 1 35 35 ALA N N 35 123.074 123.074 124.148 -1.074 18262 3881 1 7 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.031 0.054 18262 3882 1 7 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.460 0.437 18262 3883 1 7 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.716 -0.548 18262 3884 1 7 . 1 1 35 35 ALA H H 35 8.880 8.880 8.673 0.207 18262 3885 1 7 . 1 1 36 36 SER N N 36 112.915 112.915 115.235 -2.320 18262 3886 1 7 . 1 1 36 36 SER HA H 36 4.273 4.273 4.009 0.264 18262 3887 1 7 . 1 1 36 36 SER CA C 36 61.473 61.473 61.969 -0.496 18262 3888 1 7 . 1 1 36 36 SER CB C 36 62.441 62.441 62.881 -0.440 18262 3889 1 7 . 1 1 36 36 SER H H 36 8.413 8.413 8.308 0.105 18262 3890 1 7 . 1 1 37 37 GLN N N 37 121.627 121.627 120.929 0.698 18262 3891 1 7 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.170 0.106 18262 3892 1 7 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.977 -0.269 18262 3893 1 7 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.547 0.646 18262 3894 1 7 . 1 1 37 37 GLN H H 37 7.639 7.639 8.317 -0.678 18262 3895 1 7 . 1 1 38 38 LEU N N 38 119.757 119.757 120.197 -0.440 18262 3896 1 7 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.858 -0.031 18262 3897 1 7 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.354 0.645 18262 3898 1 7 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.361 -0.335 18262 3899 1 7 . 1 1 38 38 LEU H H 38 8.351 8.351 8.469 -0.118 18262 3900 1 7 . 1 1 39 39 ASP N N 39 122.097 122.097 119.946 2.151 18262 3901 1 7 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.327 0.109 18262 3902 1 7 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.984 -0.204 18262 3903 1 7 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.936 -0.564 18262 3904 1 7 . 1 1 39 39 ASP H H 39 7.962 7.962 7.978 -0.016 18262 3905 1 7 . 1 1 40 40 ASP N N 40 122.033 122.033 120.247 1.786 18262 3906 1 7 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.423 0.067 18262 3907 1 7 . 1 1 40 40 ASP CA C 40 57.890 57.890 57.164 0.725 18262 3908 1 7 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.069 -0.809 18262 3909 1 7 . 1 1 40 40 ASP H H 40 8.052 8.052 7.669 0.383 18262 3910 1 7 . 1 1 41 41 MET N N 41 121.130 121.130 118.851 2.279 18262 3911 1 7 . 1 1 41 41 MET HA H 41 4.191 4.191 4.074 0.117 18262 3912 1 7 . 1 1 41 41 MET CA C 41 57.798 57.798 57.791 0.007 18262 3913 1 7 . 1 1 41 41 MET CB C 41 31.529 31.529 31.150 0.379 18262 3914 1 7 . 1 1 41 41 MET H H 41 8.708 8.708 8.389 0.319 18262 3915 1 7 . 1 1 42 42 SER N N 42 116.303 116.303 114.095 2.208 18262 3916 1 7 . 1 1 42 42 SER HA H 42 4.301 4.301 4.127 0.174 18262 3917 1 7 . 1 1 42 42 SER CA C 42 62.145 62.145 62.159 -0.014 18262 3918 1 7 . 1 1 42 42 SER CB C 42 62.835 62.835 62.859 -0.025 18262 3919 1 7 . 1 1 42 42 SER H H 42 8.364 8.364 8.138 0.226 18262 3920 1 7 . 1 1 43 43 THR N N 43 119.136 119.136 119.211 -0.075 18262 3921 1 7 . 1 1 43 43 THR HA H 43 4.051 4.051 4.141 -0.090 18262 3922 1 7 . 1 1 43 43 THR CA C 43 66.673 66.673 67.031 -0.358 18262 3923 1 7 . 1 1 43 43 THR CB C 43 68.635 68.635 68.761 -0.126 18262 3924 1 7 . 1 1 43 43 THR H H 43 7.944 7.944 7.400 0.544 18262 3925 1 7 . 1 1 44 44 ILE N N 44 122.789 122.789 121.889 0.900 18262 3926 1 7 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.610 0.338 18262 3927 1 7 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.677 -1.030 18262 3928 1 7 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.413 0.634 18262 3929 1 7 . 1 1 44 44 ILE H H 44 7.856 7.856 7.997 -0.141 18262 3930 1 7 . 1 1 45 45 ALA N N 45 124.903 124.903 122.180 2.723 18262 3931 1 7 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.013 0.121 18262 3932 1 7 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.093 0.986 18262 3933 1 7 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.153 0.825 18262 3934 1 7 . 1 1 45 45 ALA H H 45 8.868 8.868 8.518 0.350 18262 3935 1 7 . 1 1 46 46 GLN N N 46 116.435 116.435 118.421 -1.986 18262 3936 1 7 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.038 0.026 18262 3937 1 7 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.922 0.050 18262 3938 1 7 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.774 -0.454 18262 3939 1 7 . 1 1 46 46 GLN H H 46 8.253 8.253 7.812 0.441 18262 3940 1 7 . 1 1 47 47 SER N N 47 116.211 116.211 116.309 -0.098 18262 3941 1 7 . 1 1 47 47 SER HA H 47 4.249 4.249 4.438 -0.189 18262 3942 1 7 . 1 1 47 47 SER CA C 47 61.766 61.766 60.928 0.838 18262 3943 1 7 . 1 1 47 47 SER CB C 47 62.874 62.874 62.856 0.018 18262 3944 1 7 . 1 1 47 47 SER H H 47 8.242 8.242 8.491 -0.249 18262 3945 1 7 . 1 1 48 48 MET N N 48 122.179 122.179 120.412 1.767 18262 3946 1 7 . 1 1 48 48 MET HA H 48 4.109 4.109 4.067 0.042 18262 3947 1 7 . 1 1 48 48 MET CA C 48 57.695 57.695 57.828 -0.133 18262 3948 1 7 . 1 1 48 48 MET CB C 48 31.370 31.370 31.747 -0.377 18262 3949 1 7 . 1 1 48 48 MET H H 48 8.198 8.198 8.246 -0.048 18262 3950 1 7 . 1 1 49 49 VAL N N 49 118.918 118.918 120.021 -1.103 18262 3951 1 7 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.518 -0.239 18262 3952 1 7 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.844 1.093 18262 3953 1 7 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.304 0.249 18262 3954 1 7 . 1 1 49 49 VAL H H 49 7.791 7.791 7.633 0.158 18262 3955 1 7 . 1 1 50 50 GLN N N 50 118.407 118.407 118.581 -0.174 18262 3956 1 7 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.896 0.196 18262 3957 1 7 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.329 -0.203 18262 3958 1 7 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.273 -0.070 18262 3959 1 7 . 1 1 50 50 GLN H H 50 8.206 8.206 8.461 -0.255 18262 3960 1 7 . 1 1 51 51 SER N N 51 117.680 117.680 115.986 1.694 18262 3961 1 7 . 1 1 51 51 SER HA H 51 4.209 4.209 4.126 0.083 18262 3962 1 7 . 1 1 51 51 SER CA C 51 62.766 62.766 61.731 1.035 18262 3963 1 7 . 1 1 51 51 SER CB C 51 63.014 63.014 62.948 0.066 18262 3964 1 7 . 1 1 51 51 SER H H 51 8.394 8.394 8.167 0.227 18262 3965 1 7 . 1 1 52 52 ILE N N 52 123.233 123.233 121.799 1.434 18262 3966 1 7 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.766 -0.203 18262 3967 1 7 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.897 -0.016 18262 3968 1 7 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.692 0.179 18262 3969 1 7 . 1 1 52 52 ILE H H 52 8.135 8.135 7.760 0.375 18262 3970 1 7 . 1 1 53 53 GLN N N 53 119.911 119.911 119.822 0.089 18262 3971 1 7 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.987 -0.062 18262 3972 1 7 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.015 0.556 18262 3973 1 7 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.224 -0.291 18262 3974 1 7 . 1 1 53 53 GLN H H 53 8.600 8.600 8.531 0.069 18262 3975 1 7 . 1 1 54 54 SER N N 54 115.414 115.414 115.657 -0.243 18262 3976 1 7 . 1 1 54 54 SER HA H 54 4.308 4.308 4.204 0.104 18262 3977 1 7 . 1 1 54 54 SER CA C 54 61.468 61.468 61.611 -0.143 18262 3978 1 7 . 1 1 54 54 SER CB C 54 62.950 62.950 62.982 -0.032 18262 3979 1 7 . 1 1 54 54 SER H H 54 8.304 8.304 8.340 -0.036 18262 3980 1 7 . 1 1 55 55 LEU N N 55 121.576 121.576 121.962 -0.386 18262 3981 1 7 . 1 1 55 55 LEU HA H 55 4.065 4.065 3.994 0.071 18262 3982 1 7 . 1 1 55 55 LEU CA C 55 57.713 57.713 58.060 -0.347 18262 3983 1 7 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.893 0.460 18262 3984 1 7 . 1 1 55 55 LEU H H 55 7.881 7.881 8.296 -0.415 18262 3985 1 7 . 1 1 56 56 ALA N N 56 121.244 121.244 119.445 1.799 18262 3986 1 7 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.167 0.065 18262 3987 1 7 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.924 0.477 18262 3988 1 7 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.761 -0.499 18262 3989 1 7 . 1 1 56 56 ALA H H 56 8.007 8.007 8.019 -0.012 18262 3990 1 7 . 1 1 57 57 ALA N N 57 121.370 121.370 120.096 1.274 18262 3991 1 7 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.136 0.077 18262 3992 1 7 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.625 0.891 18262 3993 1 7 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.288 -0.748 18262 3994 1 7 . 1 1 57 57 ALA H H 57 8.026 8.026 7.138 0.888 18262 3995 1 7 . 1 1 58 58 GLN N N 58 114.464 114.464 117.790 -3.326 18262 3996 1 7 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.103 0.241 18262 3997 1 7 . 1 1 58 58 GLN CA C 58 56.027 56.027 57.947 -1.920 18262 3998 1 7 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.607 0.080 18262 3999 1 7 . 1 1 58 58 GLN H H 58 7.759 7.759 8.263 -0.504 18262 4000 1 7 . 1 1 59 59 GLY N N 59 108.318 108.318 106.010 2.308 18262 4001 1 7 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.630 0.506 18262 4002 1 7 . 1 1 59 59 GLY H H 59 7.905 7.905 8.053 -0.148 18262 4003 1 7 . 1 1 60 60 ARG N N 60 118.325 118.325 119.305 -0.980 18262 4004 1 7 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.672 -0.146 18262 4005 1 7 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.562 0.166 18262 4006 1 7 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.981 -0.291 18262 4007 1 7 . 1 1 60 60 ARG H H 60 8.097 8.097 8.099 -0.002 18262 4008 1 7 . 1 1 61 61 THR N N 61 116.640 116.640 117.565 -0.925 18262 4009 1 7 . 1 1 61 61 THR HA H 61 4.782 4.782 4.599 0.183 18262 4010 1 7 . 1 1 61 61 THR CA C 61 63.339 63.339 61.591 1.748 18262 4011 1 7 . 1 1 61 61 THR CB C 61 68.819 68.819 69.892 -1.073 18262 4012 1 7 . 1 1 61 61 THR H H 61 8.038 8.038 8.285 -0.247 18262 4013 1 7 . 1 1 62 62 SER N N 62 119.882 119.882 123.409 -3.527 18262 4014 1 7 . 1 1 62 62 SER HA H 62 4.899 4.899 4.563 0.336 18262 4015 1 7 . 1 1 62 62 SER CA C 62 56.263 56.263 56.872 -0.609 18262 4016 1 7 . 1 1 62 62 SER CB C 62 63.827 63.827 63.367 0.460 18262 4017 1 7 . 1 1 62 62 SER H H 62 7.792 7.792 8.652 -0.860 18262 4018 1 7 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.245 0.054 18262 4019 1 7 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.478 0.338 18262 4020 1 7 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.810 0.407 18262 4021 1 7 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.603 -0.056 18262 4022 1 7 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.209 0.986 18262 4023 1 7 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.579 0.491 18262 4024 1 7 . 1 1 65 65 LYS N N 65 121.063 121.063 120.862 0.201 18262 4025 1 7 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.133 0.049 18262 4026 1 7 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.482 0.070 18262 4027 1 7 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.119 0.588 18262 4028 1 7 . 1 1 65 65 LYS H H 65 7.762 7.762 7.937 -0.175 18262 4029 1 7 . 1 1 66 66 LEU N N 66 119.082 119.082 117.632 1.450 18262 4030 1 7 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.306 -0.243 18262 4031 1 7 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.236 0.762 18262 4032 1 7 . 1 1 66 66 LEU CB C 66 41.461 41.461 41.812 -0.352 18262 4033 1 7 . 1 1 66 66 LEU H H 66 7.934 7.934 7.496 0.438 18262 4034 1 7 . 1 1 67 67 GLN N N 67 119.220 119.220 115.851 3.369 18262 4035 1 7 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.634 -0.427 18262 4036 1 7 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.696 2.391 18262 4037 1 7 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.504 -0.289 18262 4038 1 7 . 1 1 67 67 GLN H H 67 8.201 8.201 7.826 0.375 18262 4039 1 7 . 1 1 68 68 ALA N N 68 121.749 121.749 121.721 0.028 18262 4040 1 7 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.370 -0.191 18262 4041 1 7 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.098 1.177 18262 4042 1 7 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.256 -2.151 18262 4043 1 7 . 1 1 68 68 ALA H H 68 7.739 7.739 7.787 -0.048 18262 4044 1 7 . 1 1 69 69 LEU N N 69 120.591 120.591 119.036 1.555 18262 4045 1 7 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.856 0.139 18262 4046 1 7 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.653 0.321 18262 4047 1 7 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.291 0.047 18262 4048 1 7 . 1 1 69 69 LEU H H 69 7.888 7.888 8.651 -0.763 18262 4049 1 7 . 1 1 70 70 ASN N N 70 119.586 119.586 118.096 1.490 18262 4050 1 7 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.216 -0.685 18262 4051 1 7 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.359 0.661 18262 4052 1 7 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.315 0.533 18262 4053 1 7 . 1 1 70 70 ASN H H 70 8.356 8.356 8.134 0.222 18262 4054 1 7 . 1 1 71 71 MET N N 71 117.354 117.354 115.452 1.902 18262 4055 1 7 . 1 1 71 71 MET HA H 71 4.271 4.271 4.801 -0.530 18262 4056 1 7 . 1 1 71 71 MET CA C 71 59.088 59.088 57.445 1.643 18262 4057 1 7 . 1 1 71 71 MET CB C 71 32.746 32.746 32.528 0.218 18262 4058 1 7 . 1 1 71 71 MET H H 71 8.207 8.207 7.436 0.771 18262 4059 1 7 . 1 1 72 72 ALA N N 72 123.354 123.354 124.858 -1.504 18262 4060 1 7 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.992 0.082 18262 4061 1 7 . 1 1 72 72 ALA CA C 72 55.127 55.127 54.965 0.162 18262 4062 1 7 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.612 -0.455 18262 4063 1 7 . 1 1 72 72 ALA H H 72 8.075 8.075 7.537 0.538 18262 4064 1 7 . 1 1 73 73 PHE N N 73 120.968 120.968 117.000 3.968 18262 4065 1 7 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.290 0.228 18262 4066 1 7 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.887 0.545 18262 4067 1 7 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.248 1.349 18262 4068 1 7 . 1 1 73 73 PHE H H 73 8.546 8.546 7.901 0.645 18262 4069 1 7 . 1 1 74 74 ALA N N 74 119.865 119.865 121.857 -1.992 18262 4070 1 7 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.567 0.174 18262 4071 1 7 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.914 0.480 18262 4072 1 7 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.749 2.660 18262 4073 1 7 . 1 1 74 74 ALA H H 74 8.593 8.593 7.301 1.292 18262 4074 1 7 . 1 1 75 75 SER N N 75 112.870 112.870 113.150 -0.280 18262 4075 1 7 . 1 1 75 75 SER HA H 75 3.581 3.581 4.060 -0.479 18262 4076 1 7 . 1 1 75 75 SER CA C 75 61.879 61.879 61.368 0.511 18262 4077 1 7 . 1 1 75 75 SER CB C 75 62.010 62.010 62.552 -0.542 18262 4078 1 7 . 1 1 75 75 SER H H 75 8.501 8.501 7.515 0.986 18262 4079 1 7 . 1 1 76 76 SER N N 76 118.492 118.492 118.002 0.490 18262 4080 1 7 . 1 1 76 76 SER HA H 76 4.301 4.301 4.293 0.008 18262 4081 1 7 . 1 1 76 76 SER CA C 76 62.748 62.748 61.700 1.048 18262 4082 1 7 . 1 1 76 76 SER CB C 76 63.013 63.013 63.144 -0.131 18262 4083 1 7 . 1 1 76 76 SER H H 76 8.152 8.152 7.604 0.548 18262 4084 1 7 . 1 1 77 77 MET N N 77 120.358 120.358 120.671 -0.313 18262 4085 1 7 . 1 1 77 77 MET HA H 77 3.999 3.999 4.275 -0.276 18262 4086 1 7 . 1 1 77 77 MET CA C 77 60.024 60.024 59.199 0.825 18262 4087 1 7 . 1 1 77 77 MET CB C 77 34.657 34.657 32.442 2.215 18262 4088 1 7 . 1 1 77 77 MET H H 77 8.130 8.130 8.465 -0.335 18262 4089 1 7 . 1 1 78 78 ALA N N 78 121.547 121.547 121.942 -0.395 18262 4090 1 7 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.061 -0.135 18262 4091 1 7 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.649 -0.053 18262 4092 1 7 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.007 2.392 18262 4093 1 7 . 1 1 78 78 ALA H H 78 8.534 8.534 8.066 0.468 18262 4094 1 7 . 1 1 79 79 GLU N N 79 116.654 116.654 117.404 -0.750 18262 4095 1 7 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.111 -0.131 18262 4096 1 7 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.439 0.963 18262 4097 1 7 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.630 0.193 18262 4098 1 7 . 1 1 79 79 GLU H H 79 7.557 7.557 7.686 -0.129 18262 4099 1 7 . 1 1 80 80 ILE N N 80 118.293 118.293 118.194 0.099 18262 4100 1 7 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.045 -0.087 18262 4101 1 7 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.837 -0.052 18262 4102 1 7 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.458 -0.151 18262 4103 1 7 . 1 1 80 80 ILE H H 80 7.239 7.239 7.311 -0.072 18262 4104 1 7 . 1 1 81 81 ALA N N 81 121.511 121.511 123.058 -1.547 18262 4105 1 7 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.098 -0.138 18262 4106 1 7 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.500 0.238 18262 4107 1 7 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.486 -0.529 18262 4108 1 7 . 1 1 81 81 ALA H H 81 8.595 8.595 8.602 -0.007 18262 4109 1 7 . 1 1 82 82 ALA N N 82 116.183 116.183 118.069 -1.886 18262 4110 1 7 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.396 -0.108 18262 4111 1 7 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.471 1.131 18262 4112 1 7 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.159 1.235 18262 4113 1 7 . 1 1 82 82 ALA H H 82 8.001 8.001 7.744 0.257 18262 4114 1 7 . 1 1 83 83 SER N N 83 113.212 113.212 114.971 -1.759 18262 4115 1 7 . 1 1 83 83 SER HA H 83 4.319 4.319 4.396 -0.077 18262 4116 1 7 . 1 1 83 83 SER CA C 83 59.243 59.243 57.456 1.787 18262 4117 1 7 . 1 1 83 83 SER CB C 83 63.971 63.971 64.330 -0.359 18262 4118 1 7 . 1 1 83 83 SER H H 83 7.391 7.391 7.379 0.012 18262 4119 1 7 . 1 1 84 84 GLU N N 84 123.385 123.385 126.583 -3.198 18262 4120 1 7 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.598 -0.167 18262 4121 1 7 . 1 1 84 84 GLU CA C 84 56.656 56.656 54.892 1.764 18262 4122 1 7 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.328 1.248 18262 4123 1 7 . 1 1 84 84 GLU H H 84 8.421 8.421 8.771 -0.350 18262 4124 1 7 . 1 1 85 85 GLU N N 85 121.674 121.674 120.296 1.378 18262 4125 1 7 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.360 -0.086 18262 4126 1 7 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.622 1.505 18262 4127 1 7 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.613 -0.422 18262 4128 1 7 . 1 1 85 85 GLU H H 85 8.407 8.407 7.290 1.117 18262 4129 1 7 . 1 1 86 86 GLY N N 86 110.617 110.617 116.049 -5.432 18262 4130 1 7 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.825 -0.102 18262 4131 1 7 . 1 1 86 86 GLY H H 86 8.564 8.564 8.894 -0.330 18262 4132 1 7 . 1 1 87 87 GLY N N 87 108.562 108.562 113.613 -5.051 18262 4133 1 7 . 1 1 87 87 GLY CA C 87 45.466 45.466 43.600 1.866 18262 4134 1 7 . 1 1 87 87 GLY H H 87 8.257 8.257 7.914 0.343 18262 4135 1 7 . 1 1 88 88 GLY N N 88 107.890 107.890 110.655 -2.765 18262 4136 1 7 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.442 -0.558 18262 4137 1 7 . 1 1 88 88 GLY H H 88 8.100 8.100 7.861 0.239 18262 4138 1 7 . 1 1 89 89 SER N N 89 115.889 115.889 115.862 0.027 18262 4139 1 7 . 1 1 89 89 SER HA H 89 4.594 4.594 4.553 0.041 18262 4140 1 7 . 1 1 89 89 SER CA C 89 57.382 57.382 57.011 0.370 18262 4141 1 7 . 1 1 89 89 SER CB C 89 65.271 65.271 64.356 0.915 18262 4142 1 7 . 1 1 89 89 SER H H 89 8.474 8.474 8.435 0.039 18262 4143 1 7 . 1 1 90 90 LEU N N 90 124.688 124.688 122.820 1.868 18262 4144 1 7 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.502 -0.378 18262 4145 1 7 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.950 1.610 18262 4146 1 7 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.027 -0.609 18262 4147 1 7 . 1 1 90 90 LEU H H 90 8.867 8.867 8.726 0.141 18262 4148 1 7 . 1 1 91 91 SER N N 91 114.045 114.045 114.450 -0.405 18262 4149 1 7 . 1 1 91 91 SER CA C 91 61.331 61.331 61.784 -0.453 18262 4150 1 7 . 1 1 91 91 SER CB C 91 62.080 62.080 62.499 -0.419 18262 4151 1 7 . 1 1 91 91 SER H H 91 8.501 8.501 8.315 0.186 18262 4152 1 7 . 1 1 92 92 THR N N 92 121.036 121.036 116.089 4.947 18262 4153 1 7 . 1 1 92 92 THR HA H 92 4.006 4.006 4.109 -0.103 18262 4154 1 7 . 1 1 92 92 THR CA C 92 66.537 66.537 65.591 0.946 18262 4155 1 7 . 1 1 92 92 THR CB C 92 68.326 68.326 68.613 -0.287 18262 4156 1 7 . 1 1 92 92 THR H H 92 7.818 7.818 7.846 -0.028 18262 4157 1 7 . 1 1 93 93 LYS N N 93 120.426 120.426 122.109 -1.683 18262 4158 1 7 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.465 0.324 18262 4159 1 7 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.202 1.912 18262 4160 1 7 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.794 1.675 18262 4161 1 7 . 1 1 93 93 LYS H H 93 8.146 8.146 7.271 0.875 18262 4162 1 7 . 1 1 94 94 THR N N 94 111.775 111.775 111.561 0.214 18262 4163 1 7 . 1 1 94 94 THR HA H 94 3.933 3.933 4.133 -0.200 18262 4164 1 7 . 1 1 94 94 THR CA C 94 67.228 67.228 66.110 1.118 18262 4165 1 7 . 1 1 94 94 THR CB C 94 68.083 68.083 68.394 -0.311 18262 4166 1 7 . 1 1 94 94 THR H H 94 8.881 8.881 7.800 1.081 18262 4167 1 7 . 1 1 95 95 SER N N 95 119.066 119.066 117.898 1.168 18262 4168 1 7 . 1 1 95 95 SER HA H 95 4.397 4.397 4.192 0.205 18262 4169 1 7 . 1 1 95 95 SER CA C 95 62.060 62.060 61.769 0.291 18262 4170 1 7 . 1 1 95 95 SER CB C 95 62.693 62.693 62.778 -0.085 18262 4171 1 7 . 1 1 95 95 SER H H 95 8.134 8.134 7.707 0.427 18262 4172 1 7 . 1 1 96 96 SER N N 96 121.588 121.588 118.408 3.180 18262 4173 1 7 . 1 1 96 96 SER HA H 96 4.462 4.462 4.310 0.152 18262 4174 1 7 . 1 1 96 96 SER CA C 96 62.623 62.623 61.491 1.132 18262 4175 1 7 . 1 1 96 96 SER CB C 96 62.866 62.866 63.370 -0.504 18262 4176 1 7 . 1 1 96 96 SER H H 96 8.642 8.642 7.579 1.063 18262 4177 1 7 . 1 1 97 97 ILE N N 97 122.467 122.467 122.863 -0.396 18262 4178 1 7 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.796 0.001 18262 4179 1 7 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.748 1.087 18262 4180 1 7 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.855 0.860 18262 4181 1 7 . 1 1 97 97 ILE H H 97 8.482 8.482 7.787 0.695 18262 4182 1 7 . 1 1 98 98 ALA N N 98 122.100 122.100 121.717 0.383 18262 4183 1 7 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.011 0.043 18262 4184 1 7 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.445 0.783 18262 4185 1 7 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.104 0.313 18262 4186 1 7 . 1 1 98 98 ALA H H 98 8.437 8.437 8.264 0.173 18262 4187 1 7 . 1 1 99 99 SER N N 99 115.737 115.737 114.250 1.487 18262 4188 1 7 . 1 1 99 99 SER HA H 99 4.366 4.366 4.340 0.026 18262 4189 1 7 . 1 1 99 99 SER CA C 99 62.029 62.029 61.124 0.905 18262 4190 1 7 . 1 1 99 99 SER CB C 99 63.230 63.230 63.050 0.180 18262 4191 1 7 . 1 1 99 99 SER H H 99 8.658 8.658 7.763 0.895 18262 4192 1 7 . 1 1 100 100 ALA N N 100 124.292 124.292 125.287 -0.995 18262 4193 1 7 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.961 0.284 18262 4194 1 7 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.408 -0.017 18262 4195 1 7 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.339 0.153 18262 4196 1 7 . 1 1 100 100 ALA H H 100 8.976 8.976 8.380 0.596 18262 4197 1 7 . 1 1 101 101 MET N N 101 119.143 119.143 117.216 1.927 18262 4198 1 7 . 1 1 101 101 MET HA H 101 4.054 4.054 4.139 -0.085 18262 4199 1 7 . 1 1 101 101 MET CA C 101 61.026 61.026 59.582 1.444 18262 4200 1 7 . 1 1 101 101 MET CB C 101 34.483 34.483 32.821 1.662 18262 4201 1 7 . 1 1 101 101 MET H H 101 9.063 9.063 8.241 0.822 18262 4202 1 7 . 1 1 102 102 SER N N 102 116.778 116.778 116.420 0.358 18262 4203 1 7 . 1 1 102 102 SER HA H 102 4.363 4.363 4.182 0.181 18262 4204 1 7 . 1 1 102 102 SER CA C 102 63.348 63.348 62.567 0.781 18262 4205 1 7 . 1 1 102 102 SER CB C 102 62.593 62.593 62.861 -0.268 18262 4206 1 7 . 1 1 102 102 SER H H 102 8.693 8.693 8.035 0.658 18262 4207 1 7 . 1 1 103 103 ASN N N 103 117.982 117.982 119.745 -1.763 18262 4208 1 7 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.435 0.029 18262 4209 1 7 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.015 0.647 18262 4210 1 7 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.483 0.034 18262 4211 1 7 . 1 1 103 103 ASN H H 103 8.108 8.108 8.470 -0.362 18262 4212 1 7 . 1 1 104 104 ALA N N 104 122.272 122.272 122.205 0.067 18262 4213 1 7 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.102 0.138 18262 4214 1 7 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.033 -0.190 18262 4215 1 7 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.423 -0.190 18262 4216 1 7 . 1 1 104 104 ALA H H 104 7.892 7.892 7.953 -0.061 18262 4217 1 7 . 1 1 105 105 PHE N N 105 119.096 119.096 119.286 -0.190 18262 4218 1 7 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.853 -0.453 18262 4219 1 7 . 1 1 105 105 PHE CA C 105 63.843 63.843 58.647 5.196 18262 4220 1 7 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.753 -0.266 18262 4221 1 7 . 1 1 105 105 PHE H H 105 8.580 8.580 8.440 0.140 18262 4222 1 7 . 1 1 106 106 LEU N N 106 121.540 121.540 120.033 1.507 18262 4223 1 7 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.016 -0.280 18262 4224 1 7 . 1 1 106 106 LEU CA C 106 59.156 59.156 58.214 0.942 18262 4225 1 7 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.755 -0.420 18262 4226 1 7 . 1 1 106 106 LEU H H 106 8.226 8.226 7.760 0.466 18262 4227 1 7 . 1 1 107 107 GLN N N 107 114.603 114.603 117.288 -2.685 18262 4228 1 7 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.202 -0.012 18262 4229 1 7 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.203 -0.785 18262 4230 1 7 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.498 0.993 18262 4231 1 7 . 1 1 107 107 GLN H H 107 8.132 8.132 7.928 0.204 18262 4232 1 7 . 1 1 108 108 THR N N 108 108.290 108.290 112.132 -3.842 18262 4233 1 7 . 1 1 108 108 THR HA H 108 4.518 4.518 4.321 0.197 18262 4234 1 7 . 1 1 108 108 THR CA C 108 62.483 62.483 64.564 -2.081 18262 4235 1 7 . 1 1 108 108 THR CB C 108 70.390 70.390 68.970 1.420 18262 4236 1 7 . 1 1 108 108 THR H H 108 7.726 7.726 7.655 0.071 18262 4237 1 7 . 1 1 109 109 THR N N 109 113.407 113.407 113.768 -0.361 18262 4238 1 7 . 1 1 109 109 THR HA H 109 4.586 4.586 4.268 0.318 18262 4239 1 7 . 1 1 109 109 THR CA C 109 62.325 62.325 62.108 0.217 18262 4240 1 7 . 1 1 109 109 THR CB C 109 70.696 70.696 70.708 -0.012 18262 4241 1 7 . 1 1 109 109 THR H H 109 8.907 8.907 7.501 1.406 18262 4242 1 7 . 1 1 110 110 GLY N N 110 109.267 109.267 110.956 -1.689 18262 4243 1 7 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.086 0.482 18262 4244 1 7 . 1 1 110 110 GLY H H 110 8.361 8.361 8.335 0.026 18262 4245 1 7 . 1 1 111 111 VAL N N 111 119.375 119.375 121.273 -1.898 18262 4246 1 7 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.261 -0.006 18262 4247 1 7 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.047 -0.165 18262 4248 1 7 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.859 1.577 18262 4249 1 7 . 1 1 111 111 VAL H H 111 7.784 7.784 7.056 0.728 18262 4250 1 7 . 1 1 112 112 VAL N N 112 125.327 125.327 124.849 0.478 18262 4251 1 7 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.543 -1.331 18262 4252 1 7 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.778 3.701 18262 4253 1 7 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.223 -0.527 18262 4254 1 7 . 1 1 112 112 VAL H H 112 8.747 8.747 8.355 0.392 18262 4255 1 7 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.751 -0.249 18262 4256 1 7 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.231 -2.038 18262 4257 1 7 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.823 -1.701 18262 4258 1 7 . 1 1 114 114 GLN N N 114 124.067 124.067 128.278 -4.211 18262 4259 1 7 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.306 -0.369 18262 4260 1 7 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.533 -1.115 18262 4261 1 7 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.193 -0.646 18262 4262 1 7 . 1 1 114 114 GLN H H 114 8.394 8.394 8.570 -0.176 18262 4263 1 7 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.161 0.089 18262 4264 1 7 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.044 0.628 18262 4265 1 7 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.173 0.126 18262 4266 1 7 . 1 1 116 116 PHE N N 116 117.820 117.820 118.532 -0.712 18262 4267 1 7 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.091 0.111 18262 4268 1 7 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.639 -0.308 18262 4269 1 7 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.830 0.689 18262 4270 1 7 . 1 1 116 116 PHE H H 116 7.268 7.268 8.205 -0.937 18262 4271 1 7 . 1 1 117 117 ILE N N 117 119.434 119.434 119.726 -0.292 18262 4272 1 7 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.373 0.161 18262 4273 1 7 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.008 0.739 18262 4274 1 7 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.548 0.647 18262 4275 1 7 . 1 1 117 117 ILE H H 117 7.641 7.641 7.696 -0.055 18262 4276 1 7 . 1 1 118 118 ASN N N 118 119.834 119.834 118.529 1.305 18262 4277 1 7 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.477 -0.164 18262 4278 1 7 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.913 -0.212 18262 4279 1 7 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.029 -0.508 18262 4280 1 7 . 1 1 118 118 ASN H H 118 8.985 8.985 8.593 0.392 18262 4281 1 7 . 1 1 119 119 GLU N N 119 121.164 121.164 121.178 -0.014 18262 4282 1 7 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.062 -0.039 18262 4283 1 7 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.981 0.656 18262 4284 1 7 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.896 -0.180 18262 4285 1 7 . 1 1 119 119 GLU H H 119 8.090 8.090 7.889 0.201 18262 4286 1 7 . 1 1 120 120 ILE N N 120 117.906 117.906 119.428 -1.522 18262 4287 1 7 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.558 0.196 18262 4288 1 7 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.296 -1.328 18262 4289 1 7 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.724 -0.910 18262 4290 1 7 . 1 1 120 120 ILE H H 120 8.025 8.025 8.332 -0.307 18262 4291 1 7 . 1 1 121 121 THR N N 121 112.720 112.720 111.758 0.962 18262 4292 1 7 . 1 1 121 121 THR HA H 121 3.767 3.767 3.888 -0.121 18262 4293 1 7 . 1 1 121 121 THR CA C 121 67.203 67.203 66.112 1.091 18262 4294 1 7 . 1 1 121 121 THR CB C 121 68.380 68.380 68.351 0.029 18262 4295 1 7 . 1 1 121 121 THR H H 121 8.665 8.665 8.017 0.648 18262 4296 1 7 . 1 1 122 122 GLN N N 122 123.165 123.165 120.200 2.965 18262 4297 1 7 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.222 -0.134 18262 4298 1 7 . 1 1 122 122 GLN CA C 122 59.262 59.262 57.694 1.568 18262 4299 1 7 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.741 -0.580 18262 4300 1 7 . 1 1 122 122 GLN H H 122 8.128 8.128 7.525 0.603 18262 4301 1 7 . 1 1 123 123 LEU N N 123 120.702 120.702 122.740 -2.038 18262 4302 1 7 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.776 0.147 18262 4303 1 7 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.776 0.342 18262 4304 1 7 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.601 1.389 18262 4305 1 7 . 1 1 123 123 LEU H H 123 8.173 8.173 8.177 -0.004 18262 4306 1 7 . 1 1 124 124 VAL N N 124 118.840 118.840 118.841 -0.001 18262 4307 1 7 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.870 -0.255 18262 4308 1 7 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.204 1.120 18262 4309 1 7 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.583 0.970 18262 4310 1 7 . 1 1 124 124 VAL H H 124 8.742 8.742 8.570 0.172 18262 4311 1 7 . 1 1 125 125 SER N N 125 112.613 112.613 114.727 -2.114 18262 4312 1 7 . 1 1 125 125 SER HA H 125 4.050 4.050 4.015 0.035 18262 4313 1 7 . 1 1 125 125 SER CA C 125 62.568 62.568 61.492 1.076 18262 4314 1 7 . 1 1 125 125 SER CB C 125 62.960 62.960 62.814 0.146 18262 4315 1 7 . 1 1 125 125 SER H H 125 7.883 7.883 7.572 0.311 18262 4316 1 7 . 1 1 126 126 MET N N 126 120.939 120.939 121.562 -0.623 18262 4317 1 7 . 1 1 126 126 MET HA H 126 4.052 4.052 4.070 -0.018 18262 4318 1 7 . 1 1 126 126 MET CA C 126 59.009 59.009 58.430 0.579 18262 4319 1 7 . 1 1 126 126 MET CB C 126 32.780 32.780 32.303 0.477 18262 4320 1 7 . 1 1 126 126 MET H H 126 8.091 8.091 7.741 0.350 18262 4321 1 7 . 1 1 127 127 PHE N N 127 118.732 118.732 117.454 1.278 18262 4322 1 7 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.472 -0.007 18262 4323 1 7 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.201 1.395 18262 4324 1 7 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.652 1.259 18262 4325 1 7 . 1 1 127 127 PHE H H 127 8.755 8.755 7.774 0.981 18262 4326 1 7 . 1 1 128 128 ALA N N 128 121.647 121.647 121.396 0.251 18262 4327 1 7 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.086 0.131 18262 4328 1 7 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.373 0.131 18262 4329 1 7 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.729 0.828 18262 4330 1 7 . 1 1 128 128 ALA H H 128 8.638 8.638 7.606 1.032 18262 4331 1 7 . 1 1 129 129 GLN N N 129 115.892 115.892 116.949 -1.057 18262 4332 1 7 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.211 0.012 18262 4333 1 7 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.285 -0.044 18262 4334 1 7 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.789 -0.412 18262 4335 1 7 . 1 1 129 129 GLN H H 129 7.789 7.789 7.829 -0.040 18262 4336 1 7 . 1 1 130 130 ALA N N 130 122.349 122.349 123.082 -0.733 18262 4337 1 7 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.713 -0.442 18262 4338 1 7 . 1 1 130 130 ALA CA C 130 53.907 53.907 50.590 3.317 18262 4339 1 7 . 1 1 130 130 ALA CB C 130 18.985 18.985 18.595 0.390 18262 4340 1 7 . 1 1 130 130 ALA H H 130 7.791 7.791 8.030 -0.239 18262 4341 1 7 . 1 1 131 131 GLY N N 131 106.497 106.497 110.272 -3.775 18262 4342 1 7 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.774 -0.002 18262 4343 1 7 . 1 1 131 131 GLY H H 131 8.157 8.157 8.536 -0.379 18262 4344 1 7 . 1 1 132 132 MET N N 132 119.229 119.229 116.836 2.393 18262 4345 1 7 . 1 1 132 132 MET HA H 132 4.473 4.473 4.654 -0.181 18262 4346 1 7 . 1 1 132 132 MET CA C 132 55.973 55.973 53.687 2.286 18262 4347 1 7 . 1 1 132 132 MET CB C 132 33.129 33.129 30.691 2.438 18262 4348 1 7 . 1 1 132 132 MET H H 132 7.929 7.929 7.486 0.443 18262 4349 1 7 . 1 1 133 133 ASN N N 133 118.982 118.982 123.375 -4.393 18262 4350 1 7 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.812 -0.071 18262 4351 1 7 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.109 0.259 18262 4352 1 7 . 1 1 133 133 ASN CB C 133 39.349 39.349 37.833 1.516 18262 4353 1 7 . 1 1 133 133 ASN H H 133 8.334 8.334 8.635 -0.301 18262 4354 1 7 . 1 1 134 134 ASP N N 134 120.983 120.983 123.334 -2.351 18262 4355 1 7 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.755 -0.112 18262 4356 1 7 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.548 0.959 18262 4357 1 7 . 1 1 134 134 ASP CB C 134 41.283 41.283 41.502 -0.219 18262 4358 1 7 . 1 1 134 134 ASP H H 134 8.282 8.282 8.010 0.272 18262 4359 1 7 . 1 1 135 135 VAL N N 135 119.922 119.922 121.868 -1.946 18262 4360 1 7 . 1 1 135 135 VAL HA H 135 4.197 4.197 3.878 0.319 18262 4361 1 7 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.539 -1.212 18262 4362 1 7 . 1 1 135 135 VAL CB C 135 32.714 32.714 31.267 1.447 18262 4363 1 7 . 1 1 135 135 VAL H H 135 8.080 8.080 7.740 0.340 18262 4364 1 7 . 1 1 136 136 SER N N 136 119.994 119.994 118.884 1.110 18262 4365 1 7 . 1 1 136 136 SER HA H 136 4.459 4.459 4.180 0.279 18262 4366 1 7 . 1 1 136 136 SER CA C 136 58.412 58.412 59.250 -0.838 18262 4367 1 7 . 1 1 136 136 SER CB C 136 64.068 64.068 61.184 2.884 18262 4368 1 7 . 1 1 136 136 SER H H 136 8.397 8.397 8.598 -0.201 18262 4369 1 8 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.956 0.314 18262 4370 1 8 . 1 1 4 4 ASN N N 4 124.122 124.122 118.622 5.500 18262 4371 1 8 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.615 1.212 18262 4372 1 8 . 1 1 4 4 ASN H H 4 7.979 7.979 8.654 -0.675 18262 4373 1 8 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.769 -0.077 18262 4374 1 8 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.774 0.294 18262 4375 1 8 . 1 1 6 6 HIS CB C 6 31.102 31.102 31.036 0.066 18262 4376 1 8 . 1 1 7 7 THR N N 7 115.462 115.462 115.818 -0.356 18262 4377 1 8 . 1 1 7 7 THR HA H 7 4.312 4.312 4.025 0.287 18262 4378 1 8 . 1 1 7 7 THR CA C 7 62.316 62.316 63.773 -1.457 18262 4379 1 8 . 1 1 7 7 THR CB C 7 69.849 69.849 69.181 0.668 18262 4380 1 8 . 1 1 7 7 THR H H 7 8.132 8.132 7.979 0.152 18262 4381 1 8 . 1 1 8 8 THR N N 8 115.752 115.752 111.621 4.131 18262 4382 1 8 . 1 1 8 8 THR HA H 8 4.164 4.164 4.445 -0.281 18262 4383 1 8 . 1 1 8 8 THR CA C 8 58.419 58.419 57.906 0.513 18262 4384 1 8 . 1 1 8 8 THR CB C 8 69.385 69.385 70.898 -1.513 18262 4385 1 8 . 1 1 8 8 THR H H 8 7.981 7.981 7.163 0.818 18262 4386 1 8 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.931 0.021 18262 4387 1 8 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.824 -0.789 18262 4388 1 8 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.307 0.352 18262 4389 1 8 . 1 1 10 10 TRP N N 10 111.703 111.703 113.316 -1.613 18262 4390 1 8 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.598 0.298 18262 4391 1 8 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.048 -1.579 18262 4392 1 8 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.049 2.197 18262 4393 1 8 . 1 1 10 10 TRP H H 10 6.710 6.710 6.916 -0.206 18262 4394 1 8 . 1 1 11 11 THR N N 11 106.459 106.459 108.384 -1.925 18262 4395 1 8 . 1 1 11 11 THR HA H 11 3.893 3.893 4.146 -0.253 18262 4396 1 8 . 1 1 11 11 THR CA C 11 64.050 64.050 63.512 0.538 18262 4397 1 8 . 1 1 11 11 THR CB C 11 69.312 69.312 68.956 0.356 18262 4398 1 8 . 1 1 11 11 THR H H 11 7.197 7.197 7.579 -0.382 18262 4399 1 8 . 1 1 12 12 ASN N N 12 116.465 116.465 118.974 -2.509 18262 4400 1 8 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.028 0.080 18262 4401 1 8 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.788 0.537 18262 4402 1 8 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.135 0.494 18262 4403 1 8 . 1 1 12 12 ASN H H 12 7.285 7.285 7.359 -0.074 18262 4404 1 8 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.308 -0.109 18262 4405 1 8 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.716 -0.205 18262 4406 1 8 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.157 0.395 18262 4407 1 8 . 1 1 14 14 GLY N N 14 109.155 109.155 105.640 3.515 18262 4408 1 8 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.070 0.084 18262 4409 1 8 . 1 1 14 14 GLY H H 14 8.364 8.364 8.993 -0.629 18262 4410 1 8 . 1 1 15 15 LEU N N 15 124.654 124.654 123.512 1.142 18262 4411 1 8 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.077 0.260 18262 4412 1 8 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.294 0.253 18262 4413 1 8 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.730 -0.060 18262 4414 1 8 . 1 1 15 15 LEU H H 15 7.910 7.910 7.434 0.476 18262 4415 1 8 . 1 1 16 16 ALA N N 16 121.271 121.271 121.953 -0.682 18262 4416 1 8 . 1 1 16 16 ALA HA H 16 4.004 4.004 3.944 0.060 18262 4417 1 8 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.482 0.948 18262 4418 1 8 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.112 1.341 18262 4419 1 8 . 1 1 16 16 ALA H H 16 8.440 8.440 8.687 -0.247 18262 4420 1 8 . 1 1 17 17 GLU N N 17 117.125 117.125 119.587 -2.462 18262 4421 1 8 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.903 0.058 18262 4422 1 8 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.917 -0.304 18262 4423 1 8 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.682 0.320 18262 4424 1 8 . 1 1 17 17 GLU H H 17 7.971 7.971 8.313 -0.342 18262 4425 1 8 . 1 1 18 18 ASN N N 18 118.526 118.526 118.156 0.370 18262 4426 1 8 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.498 0.045 18262 4427 1 8 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.865 -0.570 18262 4428 1 8 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.719 -0.397 18262 4429 1 8 . 1 1 18 18 ASN H H 18 8.071 8.071 8.262 -0.191 18262 4430 1 8 . 1 1 19 19 PHE N N 19 122.197 122.197 123.415 -1.218 18262 4431 1 8 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.062 -0.187 18262 4432 1 8 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.975 0.325 18262 4433 1 8 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.968 0.531 18262 4434 1 8 . 1 1 19 19 PHE H H 19 9.658 9.658 9.062 0.596 18262 4435 1 8 . 1 1 20 20 MET N N 20 118.488 118.488 117.709 0.779 18262 4436 1 8 . 1 1 20 20 MET HA H 20 4.432 4.432 4.096 0.337 18262 4437 1 8 . 1 1 20 20 MET CA C 20 57.732 57.732 57.730 0.001 18262 4438 1 8 . 1 1 20 20 MET CB C 20 31.999 31.999 31.295 0.704 18262 4439 1 8 . 1 1 20 20 MET H H 20 8.874 8.874 8.590 0.284 18262 4440 1 8 . 1 1 21 21 ASN N N 21 118.434 118.434 119.132 -0.698 18262 4441 1 8 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.402 0.137 18262 4442 1 8 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.519 -0.251 18262 4443 1 8 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.567 -0.581 18262 4444 1 8 . 1 1 21 21 ASN H H 21 8.468 8.468 8.514 -0.046 18262 4445 1 8 . 1 1 22 22 SER N N 22 116.181 116.181 116.520 -0.339 18262 4446 1 8 . 1 1 22 22 SER HA H 22 4.193 4.193 4.151 0.042 18262 4447 1 8 . 1 1 22 22 SER CA C 22 62.195 62.195 61.965 0.230 18262 4448 1 8 . 1 1 22 22 SER CB C 22 62.997 62.997 63.047 -0.050 18262 4449 1 8 . 1 1 22 22 SER H H 22 7.936 7.936 8.144 -0.208 18262 4450 1 8 . 1 1 23 23 PHE N N 23 125.045 125.045 124.368 0.677 18262 4451 1 8 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.043 -0.029 18262 4452 1 8 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.765 -0.302 18262 4453 1 8 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.942 0.027 18262 4454 1 8 . 1 1 23 23 PHE H H 23 9.054 9.054 8.467 0.587 18262 4455 1 8 . 1 1 24 24 MET N N 24 117.336 117.336 119.103 -1.767 18262 4456 1 8 . 1 1 24 24 MET HA H 24 4.029 4.029 3.547 0.482 18262 4457 1 8 . 1 1 24 24 MET CA C 24 56.117 56.117 59.365 -3.248 18262 4458 1 8 . 1 1 24 24 MET CB C 24 30.378 30.378 32.569 -2.191 18262 4459 1 8 . 1 1 24 24 MET H H 24 8.314 8.314 8.536 -0.222 18262 4460 1 8 . 1 1 25 25 GLN N N 25 120.286 120.286 117.117 3.169 18262 4461 1 8 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.001 -0.019 18262 4462 1 8 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.608 0.598 18262 4463 1 8 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.266 0.038 18262 4464 1 8 . 1 1 25 25 GLN H H 25 8.044 8.044 7.897 0.147 18262 4465 1 8 . 1 1 26 26 GLY N N 26 107.817 107.817 107.109 0.708 18262 4466 1 8 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.404 0.614 18262 4467 1 8 . 1 1 26 26 GLY H H 26 8.101 8.101 7.904 0.197 18262 4468 1 8 . 1 1 27 27 LEU N N 27 122.926 122.926 121.976 0.950 18262 4469 1 8 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.098 -0.312 18262 4470 1 8 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.450 0.944 18262 4471 1 8 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.468 0.640 18262 4472 1 8 . 1 1 27 27 LEU H H 27 8.391 8.391 7.875 0.516 18262 4473 1 8 . 1 1 28 28 SER N N 28 109.497 109.497 114.456 -4.959 18262 4474 1 8 . 1 1 28 28 SER HA H 28 4.150 4.150 4.199 -0.049 18262 4475 1 8 . 1 1 28 28 SER CA C 28 61.223 61.223 60.474 0.749 18262 4476 1 8 . 1 1 28 28 SER CB C 28 63.390 63.390 62.717 0.673 18262 4477 1 8 . 1 1 28 28 SER H H 28 7.519 7.519 7.940 -0.421 18262 4478 1 8 . 1 1 29 29 SER N N 29 114.590 114.590 114.969 -0.379 18262 4479 1 8 . 1 1 29 29 SER HA H 29 4.739 4.739 4.550 0.189 18262 4480 1 8 . 1 1 29 29 SER CA C 29 58.035 58.035 58.582 -0.547 18262 4481 1 8 . 1 1 29 29 SER CB C 29 64.626 64.626 63.671 0.955 18262 4482 1 8 . 1 1 29 29 SER H H 29 7.451 7.451 7.362 0.089 18262 4483 1 8 . 1 1 30 30 MET N N 30 122.408 122.408 122.387 0.021 18262 4484 1 8 . 1 1 30 30 MET HA H 30 4.946 4.946 4.832 0.114 18262 4485 1 8 . 1 1 30 30 MET CA C 30 53.633 53.633 53.321 0.312 18262 4486 1 8 . 1 1 30 30 MET CB C 30 32.300 32.300 32.739 -0.439 18262 4487 1 8 . 1 1 30 30 MET H H 30 7.659 7.659 7.766 -0.107 18262 4488 1 8 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.362 0.306 18262 4489 1 8 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.679 -0.729 18262 4490 1 8 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.347 0.465 18262 4491 1 8 . 1 1 32 32 GLY N N 32 106.245 106.245 109.722 -3.477 18262 4492 1 8 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.880 0.911 18262 4493 1 8 . 1 1 32 32 GLY H H 32 8.407 8.407 8.502 -0.095 18262 4494 1 8 . 1 1 33 33 PHE N N 33 116.330 116.330 123.402 -7.072 18262 4495 1 8 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.753 0.404 18262 4496 1 8 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.703 -0.770 18262 4497 1 8 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.296 1.816 18262 4498 1 8 . 1 1 33 33 PHE H H 33 7.865 7.865 7.453 0.412 18262 4499 1 8 . 1 1 34 34 THR N N 34 113.680 113.680 117.448 -3.768 18262 4500 1 8 . 1 1 34 34 THR HA H 34 4.544 4.544 4.613 -0.069 18262 4501 1 8 . 1 1 34 34 THR CA C 34 60.409 60.409 59.993 0.416 18262 4502 1 8 . 1 1 34 34 THR CB C 34 70.714 70.714 70.006 0.708 18262 4503 1 8 . 1 1 34 34 THR H H 34 8.895 8.895 8.285 0.610 18262 4504 1 8 . 1 1 35 35 ALA N N 35 123.074 123.074 125.958 -2.884 18262 4505 1 8 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.026 0.059 18262 4506 1 8 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.238 0.659 18262 4507 1 8 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.515 -0.347 18262 4508 1 8 . 1 1 35 35 ALA H H 35 8.880 8.880 8.592 0.288 18262 4509 1 8 . 1 1 36 36 SER N N 36 112.915 112.915 114.439 -1.524 18262 4510 1 8 . 1 1 36 36 SER HA H 36 4.273 4.273 4.030 0.243 18262 4511 1 8 . 1 1 36 36 SER CA C 36 61.473 61.473 61.494 -0.021 18262 4512 1 8 . 1 1 36 36 SER CB C 36 62.441 62.441 62.870 -0.429 18262 4513 1 8 . 1 1 36 36 SER H H 36 8.413 8.413 8.448 -0.035 18262 4514 1 8 . 1 1 37 37 GLN N N 37 121.627 121.627 120.604 1.023 18262 4515 1 8 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.275 0.001 18262 4516 1 8 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.407 0.301 18262 4517 1 8 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.652 0.541 18262 4518 1 8 . 1 1 37 37 GLN H H 37 7.639 7.639 7.988 -0.349 18262 4519 1 8 . 1 1 38 38 LEU N N 38 119.757 119.757 120.342 -0.585 18262 4520 1 8 . 1 1 38 38 LEU HA H 38 3.827 3.827 4.007 -0.180 18262 4521 1 8 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.636 1.363 18262 4522 1 8 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.520 0.506 18262 4523 1 8 . 1 1 38 38 LEU H H 38 8.351 8.351 7.741 0.610 18262 4524 1 8 . 1 1 39 39 ASP N N 39 122.097 122.097 119.728 2.369 18262 4525 1 8 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.269 0.167 18262 4526 1 8 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.076 -0.296 18262 4527 1 8 . 1 1 39 39 ASP CB C 39 40.372 40.372 41.068 -0.696 18262 4528 1 8 . 1 1 39 39 ASP H H 39 7.962 7.962 8.249 -0.287 18262 4529 1 8 . 1 1 40 40 ASP N N 40 122.033 122.033 118.511 3.522 18262 4530 1 8 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.485 0.005 18262 4531 1 8 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.524 1.366 18262 4532 1 8 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.242 -0.982 18262 4533 1 8 . 1 1 40 40 ASP H H 40 8.052 8.052 7.549 0.503 18262 4534 1 8 . 1 1 41 41 MET N N 41 121.130 121.130 119.128 2.002 18262 4535 1 8 . 1 1 41 41 MET HA H 41 4.191 4.191 4.025 0.166 18262 4536 1 8 . 1 1 41 41 MET CA C 41 57.798 57.798 59.743 -1.945 18262 4537 1 8 . 1 1 41 41 MET CB C 41 31.529 31.529 32.385 -0.856 18262 4538 1 8 . 1 1 41 41 MET H H 41 8.708 8.708 8.200 0.508 18262 4539 1 8 . 1 1 42 42 SER N N 42 116.303 116.303 114.486 1.817 18262 4540 1 8 . 1 1 42 42 SER HA H 42 4.301 4.301 4.212 0.089 18262 4541 1 8 . 1 1 42 42 SER CA C 42 62.145 62.145 61.760 0.385 18262 4542 1 8 . 1 1 42 42 SER CB C 42 62.835 62.835 62.864 -0.029 18262 4543 1 8 . 1 1 42 42 SER H H 42 8.364 8.364 8.142 0.222 18262 4544 1 8 . 1 1 43 43 THR N N 43 119.136 119.136 119.314 -0.178 18262 4545 1 8 . 1 1 43 43 THR HA H 43 4.051 4.051 4.039 0.012 18262 4546 1 8 . 1 1 43 43 THR CA C 43 66.673 66.673 67.004 -0.331 18262 4547 1 8 . 1 1 43 43 THR CB C 43 68.635 68.635 68.792 -0.157 18262 4548 1 8 . 1 1 43 43 THR H H 43 7.944 7.944 7.579 0.365 18262 4549 1 8 . 1 1 44 44 ILE N N 44 122.789 122.789 122.212 0.577 18262 4550 1 8 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.618 0.330 18262 4551 1 8 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.539 -0.892 18262 4552 1 8 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.431 0.617 18262 4553 1 8 . 1 1 44 44 ILE H H 44 7.856 7.856 7.692 0.164 18262 4554 1 8 . 1 1 45 45 ALA N N 45 124.903 124.903 121.897 3.006 18262 4555 1 8 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.008 0.126 18262 4556 1 8 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.142 0.937 18262 4557 1 8 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.102 0.876 18262 4558 1 8 . 1 1 45 45 ALA H H 45 8.868 8.868 8.429 0.439 18262 4559 1 8 . 1 1 46 46 GLN N N 46 116.435 116.435 118.068 -1.633 18262 4560 1 8 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.048 0.016 18262 4561 1 8 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.766 0.207 18262 4562 1 8 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.814 -0.494 18262 4563 1 8 . 1 1 46 46 GLN H H 46 8.253 8.253 7.727 0.526 18262 4564 1 8 . 1 1 47 47 SER N N 47 116.211 116.211 116.154 0.057 18262 4565 1 8 . 1 1 47 47 SER HA H 47 4.249 4.249 4.160 0.089 18262 4566 1 8 . 1 1 47 47 SER CA C 47 61.766 61.766 61.713 0.053 18262 4567 1 8 . 1 1 47 47 SER CB C 47 62.874 62.874 62.943 -0.069 18262 4568 1 8 . 1 1 47 47 SER H H 47 8.242 8.242 8.476 -0.234 18262 4569 1 8 . 1 1 48 48 MET N N 48 122.179 122.179 120.475 1.704 18262 4570 1 8 . 1 1 48 48 MET HA H 48 4.109 4.109 4.071 0.038 18262 4571 1 8 . 1 1 48 48 MET CA C 48 57.695 57.695 57.515 0.180 18262 4572 1 8 . 1 1 48 48 MET CB C 48 31.370 31.370 31.553 -0.183 18262 4573 1 8 . 1 1 48 48 MET H H 48 8.198 8.198 8.326 -0.128 18262 4574 1 8 . 1 1 49 49 VAL N N 49 118.918 118.918 119.235 -0.317 18262 4575 1 8 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.589 -0.310 18262 4576 1 8 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.650 1.287 18262 4577 1 8 . 1 1 49 49 VAL CB C 49 31.553 31.553 30.757 0.796 18262 4578 1 8 . 1 1 49 49 VAL H H 49 7.791 7.791 7.614 0.177 18262 4579 1 8 . 1 1 50 50 GLN N N 50 118.407 118.407 119.548 -1.141 18262 4580 1 8 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.927 0.165 18262 4581 1 8 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.403 -0.277 18262 4582 1 8 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.878 0.325 18262 4583 1 8 . 1 1 50 50 GLN H H 50 8.206 8.206 8.681 -0.475 18262 4584 1 8 . 1 1 51 51 SER N N 51 117.680 117.680 117.545 0.135 18262 4585 1 8 . 1 1 51 51 SER HA H 51 4.209 4.209 4.164 0.045 18262 4586 1 8 . 1 1 51 51 SER CA C 51 62.766 62.766 62.284 0.482 18262 4587 1 8 . 1 1 51 51 SER CB C 51 63.014 63.014 62.829 0.185 18262 4588 1 8 . 1 1 51 51 SER H H 51 8.394 8.394 7.744 0.650 18262 4589 1 8 . 1 1 52 52 ILE N N 52 123.233 123.233 122.070 1.163 18262 4590 1 8 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.635 -0.072 18262 4591 1 8 . 1 1 52 52 ILE CA C 52 64.881 64.881 65.036 -0.155 18262 4592 1 8 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.308 0.563 18262 4593 1 8 . 1 1 52 52 ILE H H 52 8.135 8.135 7.536 0.599 18262 4594 1 8 . 1 1 53 53 GLN N N 53 119.911 119.911 120.664 -0.753 18262 4595 1 8 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.009 -0.084 18262 4596 1 8 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.946 0.625 18262 4597 1 8 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.040 -0.107 18262 4598 1 8 . 1 1 53 53 GLN H H 53 8.600 8.600 8.467 0.133 18262 4599 1 8 . 1 1 54 54 SER N N 54 115.414 115.414 115.065 0.349 18262 4600 1 8 . 1 1 54 54 SER HA H 54 4.308 4.308 4.203 0.105 18262 4601 1 8 . 1 1 54 54 SER CA C 54 61.468 61.468 61.159 0.309 18262 4602 1 8 . 1 1 54 54 SER CB C 54 62.950 62.950 62.703 0.247 18262 4603 1 8 . 1 1 54 54 SER H H 54 8.304 8.304 8.318 -0.014 18262 4604 1 8 . 1 1 55 55 LEU N N 55 121.576 121.576 121.021 0.555 18262 4605 1 8 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.168 -0.103 18262 4606 1 8 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.503 0.210 18262 4607 1 8 . 1 1 55 55 LEU CB C 55 42.353 42.353 42.128 0.225 18262 4608 1 8 . 1 1 55 55 LEU H H 55 7.881 7.881 7.600 0.281 18262 4609 1 8 . 1 1 56 56 ALA N N 56 121.244 121.244 120.959 0.285 18262 4610 1 8 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.201 0.031 18262 4611 1 8 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.268 0.133 18262 4612 1 8 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.505 -0.243 18262 4613 1 8 . 1 1 56 56 ALA H H 56 8.007 8.007 8.386 -0.379 18262 4614 1 8 . 1 1 57 57 ALA N N 57 121.370 121.370 121.354 0.016 18262 4615 1 8 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.145 0.068 18262 4616 1 8 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.213 0.303 18262 4617 1 8 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.611 -0.071 18262 4618 1 8 . 1 1 57 57 ALA H H 57 8.026 8.026 8.012 0.014 18262 4619 1 8 . 1 1 58 58 GLN N N 58 114.464 114.464 116.401 -1.937 18262 4620 1 8 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.438 -0.094 18262 4621 1 8 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.252 0.775 18262 4622 1 8 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.225 0.462 18262 4623 1 8 . 1 1 58 58 GLN H H 58 7.759 7.759 7.687 0.072 18262 4624 1 8 . 1 1 59 59 GLY N N 59 108.318 108.318 109.648 -1.330 18262 4625 1 8 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.516 0.620 18262 4626 1 8 . 1 1 59 59 GLY H H 59 7.905 7.905 8.058 -0.153 18262 4627 1 8 . 1 1 60 60 ARG N N 60 118.325 118.325 126.445 -8.120 18262 4628 1 8 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.303 0.223 18262 4629 1 8 . 1 1 60 60 ARG CA C 60 55.728 55.728 56.153 -0.425 18262 4630 1 8 . 1 1 60 60 ARG CB C 60 31.690 31.690 29.498 2.192 18262 4631 1 8 . 1 1 60 60 ARG H H 60 8.097 8.097 7.921 0.176 18262 4632 1 8 . 1 1 61 61 THR N N 61 116.640 116.640 121.818 -5.178 18262 4633 1 8 . 1 1 61 61 THR HA H 61 4.782 4.782 4.464 0.318 18262 4634 1 8 . 1 1 61 61 THR CA C 61 63.339 63.339 61.733 1.606 18262 4635 1 8 . 1 1 61 61 THR CB C 61 68.819 68.819 70.721 -1.902 18262 4636 1 8 . 1 1 61 61 THR H H 61 8.038 8.038 7.987 0.051 18262 4637 1 8 . 1 1 62 62 SER N N 62 119.882 119.882 121.434 -1.552 18262 4638 1 8 . 1 1 62 62 SER HA H 62 4.899 4.899 4.667 0.232 18262 4639 1 8 . 1 1 62 62 SER CA C 62 56.263 56.263 57.055 -0.792 18262 4640 1 8 . 1 1 62 62 SER CB C 62 63.827 63.827 63.228 0.599 18262 4641 1 8 . 1 1 62 62 SER H H 62 7.792 7.792 8.164 -0.372 18262 4642 1 8 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.245 0.054 18262 4643 1 8 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.583 0.233 18262 4644 1 8 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.917 0.300 18262 4645 1 8 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.485 0.062 18262 4646 1 8 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.069 0.126 18262 4647 1 8 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.561 0.509 18262 4648 1 8 . 1 1 65 65 LYS N N 65 121.063 121.063 119.682 1.381 18262 4649 1 8 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.111 0.071 18262 4650 1 8 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.766 -0.214 18262 4651 1 8 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.030 0.677 18262 4652 1 8 . 1 1 65 65 LYS H H 65 7.762 7.762 8.107 -0.345 18262 4653 1 8 . 1 1 66 66 LEU N N 66 119.082 119.082 118.883 0.199 18262 4654 1 8 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.376 -0.313 18262 4655 1 8 . 1 1 66 66 LEU CA C 66 57.998 57.998 56.978 1.020 18262 4656 1 8 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.630 0.831 18262 4657 1 8 . 1 1 66 66 LEU H H 66 7.934 7.934 7.418 0.516 18262 4658 1 8 . 1 1 67 67 GLN N N 67 119.220 119.220 117.775 1.445 18262 4659 1 8 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.324 -0.117 18262 4660 1 8 . 1 1 67 67 GLN CA C 67 59.087 59.087 57.850 1.237 18262 4661 1 8 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.242 -0.027 18262 4662 1 8 . 1 1 67 67 GLN H H 67 8.201 8.201 7.819 0.382 18262 4663 1 8 . 1 1 68 68 ALA N N 68 121.749 121.749 122.189 -0.440 18262 4664 1 8 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.270 -0.091 18262 4665 1 8 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.589 0.686 18262 4666 1 8 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.613 -0.508 18262 4667 1 8 . 1 1 68 68 ALA H H 68 7.739 7.739 7.623 0.116 18262 4668 1 8 . 1 1 69 69 LEU N N 69 120.591 120.591 117.678 2.913 18262 4669 1 8 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.961 0.034 18262 4670 1 8 . 1 1 69 69 LEU CA C 69 57.974 57.974 56.852 1.122 18262 4671 1 8 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.197 0.141 18262 4672 1 8 . 1 1 69 69 LEU H H 69 7.888 7.888 7.876 0.012 18262 4673 1 8 . 1 1 70 70 ASN N N 70 119.586 119.586 118.128 1.458 18262 4674 1 8 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.368 -0.837 18262 4675 1 8 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.077 0.943 18262 4676 1 8 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.271 0.577 18262 4677 1 8 . 1 1 70 70 ASN H H 70 8.356 8.356 8.185 0.171 18262 4678 1 8 . 1 1 71 71 MET N N 71 117.354 117.354 118.479 -1.125 18262 4679 1 8 . 1 1 71 71 MET HA H 71 4.271 4.271 4.565 -0.294 18262 4680 1 8 . 1 1 71 71 MET CA C 71 59.088 59.088 57.956 1.132 18262 4681 1 8 . 1 1 71 71 MET CB C 71 32.746 32.746 32.722 0.024 18262 4682 1 8 . 1 1 71 71 MET H H 71 8.207 8.207 7.579 0.628 18262 4683 1 8 . 1 1 72 72 ALA N N 72 123.354 123.354 124.295 -0.941 18262 4684 1 8 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.939 0.135 18262 4685 1 8 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.321 -0.194 18262 4686 1 8 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.234 -0.077 18262 4687 1 8 . 1 1 72 72 ALA H H 72 8.075 8.075 7.601 0.474 18262 4688 1 8 . 1 1 73 73 PHE N N 73 120.968 120.968 116.646 4.322 18262 4689 1 8 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.238 0.280 18262 4690 1 8 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.385 0.047 18262 4691 1 8 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.968 1.629 18262 4692 1 8 . 1 1 73 73 PHE H H 73 8.546 8.546 7.958 0.588 18262 4693 1 8 . 1 1 74 74 ALA N N 74 119.865 119.865 122.373 -2.508 18262 4694 1 8 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.502 0.239 18262 4695 1 8 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.558 0.836 18262 4696 1 8 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.825 2.584 18262 4697 1 8 . 1 1 74 74 ALA H H 74 8.593 8.593 7.316 1.277 18262 4698 1 8 . 1 1 75 75 SER N N 75 112.870 112.870 113.817 -0.947 18262 4699 1 8 . 1 1 75 75 SER HA H 75 3.581 3.581 4.071 -0.490 18262 4700 1 8 . 1 1 75 75 SER CA C 75 61.879 61.879 61.001 0.878 18262 4701 1 8 . 1 1 75 75 SER CB C 75 62.010 62.010 62.289 -0.279 18262 4702 1 8 . 1 1 75 75 SER H H 75 8.501 8.501 8.122 0.379 18262 4703 1 8 . 1 1 76 76 SER N N 76 118.492 118.492 117.377 1.115 18262 4704 1 8 . 1 1 76 76 SER HA H 76 4.301 4.301 4.340 -0.039 18262 4705 1 8 . 1 1 76 76 SER CA C 76 62.748 62.748 61.136 1.611 18262 4706 1 8 . 1 1 76 76 SER CB C 76 63.013 63.013 63.055 -0.042 18262 4707 1 8 . 1 1 76 76 SER H H 76 8.152 8.152 7.585 0.567 18262 4708 1 8 . 1 1 77 77 MET N N 77 120.358 120.358 120.998 -0.640 18262 4709 1 8 . 1 1 77 77 MET HA H 77 3.999 3.999 4.325 -0.326 18262 4710 1 8 . 1 1 77 77 MET CA C 77 60.024 60.024 58.694 1.330 18262 4711 1 8 . 1 1 77 77 MET CB C 77 34.657 34.657 32.469 2.188 18262 4712 1 8 . 1 1 77 77 MET H H 77 8.130 8.130 7.981 0.149 18262 4713 1 8 . 1 1 78 78 ALA N N 78 121.547 121.547 123.500 -1.953 18262 4714 1 8 . 1 1 78 78 ALA HA H 78 3.926 3.926 3.999 -0.073 18262 4715 1 8 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.756 -0.160 18262 4716 1 8 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.860 2.539 18262 4717 1 8 . 1 1 78 78 ALA H H 78 8.534 8.534 8.030 0.504 18262 4718 1 8 . 1 1 79 79 GLU N N 79 116.654 116.654 116.899 -0.245 18262 4719 1 8 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.044 -0.064 18262 4720 1 8 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.972 0.430 18262 4721 1 8 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.694 0.129 18262 4722 1 8 . 1 1 79 79 GLU H H 79 7.557 7.557 7.802 -0.245 18262 4723 1 8 . 1 1 80 80 ILE N N 80 118.293 118.293 118.031 0.262 18262 4724 1 8 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.934 0.024 18262 4725 1 8 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.453 -0.667 18262 4726 1 8 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.358 -0.050 18262 4727 1 8 . 1 1 80 80 ILE H H 80 7.239 7.239 7.352 -0.113 18262 4728 1 8 . 1 1 81 81 ALA N N 81 121.511 121.511 122.833 -1.322 18262 4729 1 8 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.190 -0.230 18262 4730 1 8 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.530 0.208 18262 4731 1 8 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.536 -0.579 18262 4732 1 8 . 1 1 81 81 ALA H H 81 8.595 8.595 8.878 -0.283 18262 4733 1 8 . 1 1 82 82 ALA N N 82 116.183 116.183 118.376 -2.193 18262 4734 1 8 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.386 -0.098 18262 4735 1 8 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.062 1.539 18262 4736 1 8 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.718 0.676 18262 4737 1 8 . 1 1 82 82 ALA H H 82 8.001 8.001 7.813 0.188 18262 4738 1 8 . 1 1 83 83 SER N N 83 113.212 113.212 115.215 -2.003 18262 4739 1 8 . 1 1 83 83 SER HA H 83 4.319 4.319 4.311 0.008 18262 4740 1 8 . 1 1 83 83 SER CA C 83 59.243 59.243 57.955 1.288 18262 4741 1 8 . 1 1 83 83 SER CB C 83 63.971 63.971 63.874 0.097 18262 4742 1 8 . 1 1 83 83 SER H H 83 7.391 7.391 7.431 -0.040 18262 4743 1 8 . 1 1 84 84 GLU N N 84 123.385 123.385 127.999 -4.614 18262 4744 1 8 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.299 0.132 18262 4745 1 8 . 1 1 84 84 GLU CA C 84 56.656 56.656 57.272 -0.616 18262 4746 1 8 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.051 1.525 18262 4747 1 8 . 1 1 84 84 GLU H H 84 8.421 8.421 8.916 -0.495 18262 4748 1 8 . 1 1 85 85 GLU N N 85 121.674 121.674 121.263 0.411 18262 4749 1 8 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.197 0.077 18262 4750 1 8 . 1 1 85 85 GLU CA C 85 57.127 57.127 57.580 -0.452 18262 4751 1 8 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.253 -0.062 18262 4752 1 8 . 1 1 85 85 GLU H H 85 8.407 8.407 7.718 0.689 18262 4753 1 8 . 1 1 86 86 GLY N N 86 110.617 110.617 105.246 5.371 18262 4754 1 8 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.308 1.416 18262 4755 1 8 . 1 1 86 86 GLY H H 86 8.564 8.564 7.448 1.116 18262 4756 1 8 . 1 1 87 87 GLY N N 87 108.562 108.562 111.320 -2.758 18262 4757 1 8 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.382 0.084 18262 4758 1 8 . 1 1 87 87 GLY H H 87 8.257 8.257 8.746 -0.489 18262 4759 1 8 . 1 1 88 88 GLY N N 88 107.890 107.890 109.852 -1.962 18262 4760 1 8 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.550 -0.666 18262 4761 1 8 . 1 1 88 88 GLY H H 88 8.100 8.100 7.564 0.536 18262 4762 1 8 . 1 1 89 89 SER N N 89 115.889 115.889 115.857 0.032 18262 4763 1 8 . 1 1 89 89 SER HA H 89 4.594 4.594 4.611 -0.017 18262 4764 1 8 . 1 1 89 89 SER CA C 89 57.382 57.382 55.993 1.389 18262 4765 1 8 . 1 1 89 89 SER CB C 89 65.271 65.271 64.001 1.270 18262 4766 1 8 . 1 1 89 89 SER H H 89 8.474 8.474 7.781 0.693 18262 4767 1 8 . 1 1 90 90 LEU N N 90 124.688 124.688 120.599 4.089 18262 4768 1 8 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.360 -0.236 18262 4769 1 8 . 1 1 90 90 LEU CA C 90 58.560 58.560 55.945 2.615 18262 4770 1 8 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.245 -0.827 18262 4771 1 8 . 1 1 90 90 LEU H H 90 8.867 8.867 8.421 0.446 18262 4772 1 8 . 1 1 91 91 SER N N 91 114.045 114.045 114.301 -0.256 18262 4773 1 8 . 1 1 91 91 SER CA C 91 61.331 61.331 62.024 -0.693 18262 4774 1 8 . 1 1 91 91 SER CB C 91 62.080 62.080 62.747 -0.667 18262 4775 1 8 . 1 1 91 91 SER H H 91 8.501 8.501 8.448 0.053 18262 4776 1 8 . 1 1 92 92 THR N N 92 121.036 121.036 115.252 5.784 18262 4777 1 8 . 1 1 92 92 THR HA H 92 4.006 4.006 4.247 -0.241 18262 4778 1 8 . 1 1 92 92 THR CA C 92 66.537 66.537 65.121 1.416 18262 4779 1 8 . 1 1 92 92 THR CB C 92 68.326 68.326 68.512 -0.186 18262 4780 1 8 . 1 1 92 92 THR H H 92 7.818 7.818 8.340 -0.522 18262 4781 1 8 . 1 1 93 93 LYS N N 93 120.426 120.426 121.925 -1.499 18262 4782 1 8 . 1 1 93 93 LYS HA H 93 3.789 3.789 4.282 -0.493 18262 4783 1 8 . 1 1 93 93 LYS CA C 93 61.114 61.114 58.324 2.790 18262 4784 1 8 . 1 1 93 93 LYS CB C 93 33.469 33.469 32.631 0.838 18262 4785 1 8 . 1 1 93 93 LYS H H 93 8.146 8.146 7.901 0.245 18262 4786 1 8 . 1 1 94 94 THR N N 94 111.775 111.775 114.002 -2.227 18262 4787 1 8 . 1 1 94 94 THR HA H 94 3.933 3.933 4.212 -0.279 18262 4788 1 8 . 1 1 94 94 THR CA C 94 67.228 67.228 66.347 0.881 18262 4789 1 8 . 1 1 94 94 THR CB C 94 68.083 68.083 68.004 0.079 18262 4790 1 8 . 1 1 94 94 THR H H 94 8.881 8.881 8.674 0.207 18262 4791 1 8 . 1 1 95 95 SER N N 95 119.066 119.066 117.892 1.174 18262 4792 1 8 . 1 1 95 95 SER HA H 95 4.397 4.397 4.169 0.228 18262 4793 1 8 . 1 1 95 95 SER CA C 95 62.060 62.060 62.609 -0.549 18262 4794 1 8 . 1 1 95 95 SER CB C 95 62.693 62.693 62.936 -0.243 18262 4795 1 8 . 1 1 95 95 SER H H 95 8.134 8.134 7.846 0.288 18262 4796 1 8 . 1 1 96 96 SER N N 96 121.588 121.588 118.212 3.376 18262 4797 1 8 . 1 1 96 96 SER HA H 96 4.462 4.462 4.369 0.093 18262 4798 1 8 . 1 1 96 96 SER CA C 96 62.623 62.623 61.389 1.234 18262 4799 1 8 . 1 1 96 96 SER CB C 96 62.866 62.866 63.400 -0.534 18262 4800 1 8 . 1 1 96 96 SER H H 96 8.642 8.642 7.620 1.022 18262 4801 1 8 . 1 1 97 97 ILE N N 97 122.467 122.467 124.371 -1.904 18262 4802 1 8 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.816 -0.019 18262 4803 1 8 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.765 1.069 18262 4804 1 8 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.788 0.927 18262 4805 1 8 . 1 1 97 97 ILE H H 97 8.482 8.482 8.065 0.417 18262 4806 1 8 . 1 1 98 98 ALA N N 98 122.100 122.100 121.284 0.816 18262 4807 1 8 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.161 -0.107 18262 4808 1 8 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.399 0.829 18262 4809 1 8 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.338 0.079 18262 4810 1 8 . 1 1 98 98 ALA H H 98 8.437 8.437 8.222 0.215 18262 4811 1 8 . 1 1 99 99 SER N N 99 115.737 115.737 115.418 0.319 18262 4812 1 8 . 1 1 99 99 SER HA H 99 4.366 4.366 4.298 0.068 18262 4813 1 8 . 1 1 99 99 SER CA C 99 62.029 62.029 62.154 -0.125 18262 4814 1 8 . 1 1 99 99 SER CB C 99 63.230 63.230 62.978 0.251 18262 4815 1 8 . 1 1 99 99 SER H H 99 8.658 8.658 7.530 1.128 18262 4816 1 8 . 1 1 100 100 ALA N N 100 124.292 124.292 125.300 -1.008 18262 4817 1 8 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.962 0.283 18262 4818 1 8 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.216 0.175 18262 4819 1 8 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.336 0.156 18262 4820 1 8 . 1 1 100 100 ALA H H 100 8.976 8.976 8.465 0.511 18262 4821 1 8 . 1 1 101 101 MET N N 101 119.143 119.143 117.625 1.518 18262 4822 1 8 . 1 1 101 101 MET HA H 101 4.054 4.054 3.853 0.201 18262 4823 1 8 . 1 1 101 101 MET CA C 101 61.026 61.026 59.806 1.220 18262 4824 1 8 . 1 1 101 101 MET CB C 101 34.483 34.483 32.770 1.713 18262 4825 1 8 . 1 1 101 101 MET H H 101 9.063 9.063 8.420 0.643 18262 4826 1 8 . 1 1 102 102 SER N N 102 116.778 116.778 114.988 1.790 18262 4827 1 8 . 1 1 102 102 SER HA H 102 4.363 4.363 4.277 0.086 18262 4828 1 8 . 1 1 102 102 SER CA C 102 63.348 63.348 62.090 1.258 18262 4829 1 8 . 1 1 102 102 SER CB C 102 62.593 62.593 63.236 -0.643 18262 4830 1 8 . 1 1 102 102 SER H H 102 8.693 8.693 8.096 0.597 18262 4831 1 8 . 1 1 103 103 ASN N N 103 117.982 117.982 119.779 -1.797 18262 4832 1 8 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.527 -0.063 18262 4833 1 8 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.726 0.936 18262 4834 1 8 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.425 0.092 18262 4835 1 8 . 1 1 103 103 ASN H H 103 8.108 8.108 8.364 -0.256 18262 4836 1 8 . 1 1 104 104 ALA N N 104 122.272 122.272 122.434 -0.162 18262 4837 1 8 . 1 1 104 104 ALA HA H 104 4.240 4.240 3.936 0.304 18262 4838 1 8 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.981 -0.138 18262 4839 1 8 . 1 1 104 104 ALA CB C 104 18.233 18.233 17.831 0.403 18262 4840 1 8 . 1 1 104 104 ALA H H 104 7.892 7.892 7.999 -0.107 18262 4841 1 8 . 1 1 105 105 PHE N N 105 119.096 119.096 118.241 0.855 18262 4842 1 8 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.639 -0.239 18262 4843 1 8 . 1 1 105 105 PHE CA C 105 63.843 63.843 60.041 3.802 18262 4844 1 8 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.184 0.303 18262 4845 1 8 . 1 1 105 105 PHE H H 105 8.580 8.580 8.007 0.573 18262 4846 1 8 . 1 1 106 106 LEU N N 106 121.540 121.540 118.841 2.699 18262 4847 1 8 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.125 -0.389 18262 4848 1 8 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.673 1.482 18262 4849 1 8 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.705 -0.370 18262 4850 1 8 . 1 1 106 106 LEU H H 106 8.226 8.226 7.407 0.819 18262 4851 1 8 . 1 1 107 107 GLN N N 107 114.603 114.603 117.370 -2.767 18262 4852 1 8 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.230 -0.040 18262 4853 1 8 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.222 -0.804 18262 4854 1 8 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.438 1.053 18262 4855 1 8 . 1 1 107 107 GLN H H 107 8.132 8.132 8.105 0.027 18262 4856 1 8 . 1 1 108 108 THR N N 108 108.290 108.290 111.338 -3.048 18262 4857 1 8 . 1 1 108 108 THR HA H 108 4.518 4.518 4.495 0.023 18262 4858 1 8 . 1 1 108 108 THR CA C 108 62.483 62.483 64.048 -1.565 18262 4859 1 8 . 1 1 108 108 THR CB C 108 70.390 70.390 69.409 0.981 18262 4860 1 8 . 1 1 108 108 THR H H 108 7.726 7.726 7.652 0.074 18262 4861 1 8 . 1 1 109 109 THR N N 109 113.407 113.407 114.809 -1.402 18262 4862 1 8 . 1 1 109 109 THR HA H 109 4.586 4.586 4.609 -0.023 18262 4863 1 8 . 1 1 109 109 THR CA C 109 62.325 62.325 62.560 -0.235 18262 4864 1 8 . 1 1 109 109 THR CB C 109 70.696 70.696 70.692 0.004 18262 4865 1 8 . 1 1 109 109 THR H H 109 8.907 8.907 8.119 0.788 18262 4866 1 8 . 1 1 110 110 GLY N N 110 109.267 109.267 109.963 -0.696 18262 4867 1 8 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.204 0.364 18262 4868 1 8 . 1 1 110 110 GLY H H 110 8.361 8.361 8.332 0.029 18262 4869 1 8 . 1 1 111 111 VAL N N 111 119.375 119.375 120.728 -1.353 18262 4870 1 8 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.273 -0.018 18262 4871 1 8 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.296 0.586 18262 4872 1 8 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.735 1.701 18262 4873 1 8 . 1 1 111 111 VAL H H 111 7.784 7.784 7.402 0.382 18262 4874 1 8 . 1 1 112 112 VAL N N 112 125.327 125.327 125.207 0.120 18262 4875 1 8 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.918 -0.706 18262 4876 1 8 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.276 4.203 18262 4877 1 8 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.800 -1.104 18262 4878 1 8 . 1 1 112 112 VAL H H 112 8.747 8.747 8.066 0.681 18262 4879 1 8 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.721 -0.219 18262 4880 1 8 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.752 -1.559 18262 4881 1 8 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.480 -1.357 18262 4882 1 8 . 1 1 114 114 GLN N N 114 124.067 124.067 128.672 -4.605 18262 4883 1 8 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.401 -0.464 18262 4884 1 8 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.141 -0.723 18262 4885 1 8 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.989 -0.442 18262 4886 1 8 . 1 1 114 114 GLN H H 114 8.394 8.394 8.629 -0.235 18262 4887 1 8 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.178 0.072 18262 4888 1 8 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.090 0.582 18262 4889 1 8 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.224 0.075 18262 4890 1 8 . 1 1 116 116 PHE N N 116 117.820 117.820 118.552 -0.732 18262 4891 1 8 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.156 0.046 18262 4892 1 8 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.724 -0.393 18262 4893 1 8 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.974 0.545 18262 4894 1 8 . 1 1 116 116 PHE H H 116 7.268 7.268 8.424 -1.156 18262 4895 1 8 . 1 1 117 117 ILE N N 117 119.434 119.434 119.185 0.249 18262 4896 1 8 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.429 0.105 18262 4897 1 8 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.252 0.494 18262 4898 1 8 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.662 0.533 18262 4899 1 8 . 1 1 117 117 ILE H H 117 7.641 7.641 7.826 -0.185 18262 4900 1 8 . 1 1 118 118 ASN N N 118 119.834 119.834 117.310 2.524 18262 4901 1 8 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.533 -0.220 18262 4902 1 8 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.437 0.264 18262 4903 1 8 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.062 -0.541 18262 4904 1 8 . 1 1 118 118 ASN H H 118 8.985 8.985 8.552 0.433 18262 4905 1 8 . 1 1 119 119 GLU N N 119 121.164 121.164 120.407 0.757 18262 4906 1 8 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.210 -0.187 18262 4907 1 8 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.484 1.153 18262 4908 1 8 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.960 -0.244 18262 4909 1 8 . 1 1 119 119 GLU H H 119 8.090 8.090 7.590 0.500 18262 4910 1 8 . 1 1 120 120 ILE N N 120 117.906 117.906 120.426 -2.520 18262 4911 1 8 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.637 0.117 18262 4912 1 8 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.347 -1.379 18262 4913 1 8 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.694 -0.880 18262 4914 1 8 . 1 1 120 120 ILE H H 120 8.025 8.025 8.299 -0.274 18262 4915 1 8 . 1 1 121 121 THR N N 121 112.720 112.720 112.947 -0.227 18262 4916 1 8 . 1 1 121 121 THR HA H 121 3.767 3.767 3.903 -0.136 18262 4917 1 8 . 1 1 121 121 THR CA C 121 67.203 67.203 66.636 0.567 18262 4918 1 8 . 1 1 121 121 THR CB C 121 68.380 68.380 68.079 0.301 18262 4919 1 8 . 1 1 121 121 THR H H 121 8.665 8.665 7.893 0.772 18262 4920 1 8 . 1 1 122 122 GLN N N 122 123.165 123.165 122.086 1.079 18262 4921 1 8 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.105 -0.017 18262 4922 1 8 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.632 0.630 18262 4923 1 8 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.478 -0.317 18262 4924 1 8 . 1 1 122 122 GLN H H 122 8.128 8.128 7.513 0.615 18262 4925 1 8 . 1 1 123 123 LEU N N 123 120.702 120.702 120.279 0.423 18262 4926 1 8 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.525 0.398 18262 4927 1 8 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.818 0.300 18262 4928 1 8 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.336 1.654 18262 4929 1 8 . 1 1 123 123 LEU H H 123 8.173 8.173 8.168 0.005 18262 4930 1 8 . 1 1 124 124 VAL N N 124 118.840 118.840 119.516 -0.676 18262 4931 1 8 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.729 -0.114 18262 4932 1 8 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.705 0.619 18262 4933 1 8 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.424 0.129 18262 4934 1 8 . 1 1 124 124 VAL H H 124 8.742 8.742 8.567 0.175 18262 4935 1 8 . 1 1 125 125 SER N N 125 112.613 112.613 115.484 -2.871 18262 4936 1 8 . 1 1 125 125 SER HA H 125 4.050 4.050 4.180 -0.130 18262 4937 1 8 . 1 1 125 125 SER CA C 125 62.568 62.568 61.310 1.258 18262 4938 1 8 . 1 1 125 125 SER CB C 125 62.960 62.960 62.443 0.517 18262 4939 1 8 . 1 1 125 125 SER H H 125 7.883 7.883 7.912 -0.029 18262 4940 1 8 . 1 1 126 126 MET N N 126 120.939 120.939 122.325 -1.386 18262 4941 1 8 . 1 1 126 126 MET HA H 126 4.052 4.052 4.128 -0.076 18262 4942 1 8 . 1 1 126 126 MET CA C 126 59.009 59.009 58.380 0.629 18262 4943 1 8 . 1 1 126 126 MET CB C 126 32.780 32.780 32.063 0.716 18262 4944 1 8 . 1 1 126 126 MET H H 126 8.091 8.091 8.233 -0.142 18262 4945 1 8 . 1 1 127 127 PHE N N 127 118.732 118.732 118.495 0.237 18262 4946 1 8 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.398 0.067 18262 4947 1 8 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.107 0.489 18262 4948 1 8 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.972 0.939 18262 4949 1 8 . 1 1 127 127 PHE H H 127 8.755 8.755 8.443 0.312 18262 4950 1 8 . 1 1 128 128 ALA N N 128 121.647 121.647 121.539 0.108 18262 4951 1 8 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.114 0.103 18262 4952 1 8 . 1 1 128 128 ALA CA C 128 54.504 54.504 53.901 0.604 18262 4953 1 8 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.734 0.823 18262 4954 1 8 . 1 1 128 128 ALA H H 128 8.638 8.638 7.951 0.687 18262 4955 1 8 . 1 1 129 129 GLN N N 129 115.892 115.892 116.876 -0.984 18262 4956 1 8 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.245 -0.022 18262 4957 1 8 . 1 1 129 129 GLN CA C 129 57.240 57.240 56.692 0.548 18262 4958 1 8 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.693 -0.316 18262 4959 1 8 . 1 1 129 129 GLN H H 129 7.789 7.789 7.970 -0.181 18262 4960 1 8 . 1 1 130 130 ALA N N 130 122.349 122.349 120.574 1.775 18262 4961 1 8 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.061 0.210 18262 4962 1 8 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.837 1.070 18262 4963 1 8 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.235 1.750 18262 4964 1 8 . 1 1 130 130 ALA H H 130 7.791 7.791 8.291 -0.500 18262 4965 1 8 . 1 1 131 131 GLY N N 131 106.497 106.497 104.307 2.190 18262 4966 1 8 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.353 0.419 18262 4967 1 8 . 1 1 131 131 GLY H H 131 8.157 8.157 8.688 -0.531 18262 4968 1 8 . 1 1 132 132 MET N N 132 119.229 119.229 118.947 0.282 18262 4969 1 8 . 1 1 132 132 MET HA H 132 4.473 4.473 4.231 0.242 18262 4970 1 8 . 1 1 132 132 MET CA C 132 55.973 55.973 57.422 -1.449 18262 4971 1 8 . 1 1 132 132 MET CB C 132 33.129 33.129 33.156 -0.027 18262 4972 1 8 . 1 1 132 132 MET H H 132 7.929 7.929 7.838 0.091 18262 4973 1 8 . 1 1 133 133 ASN N N 133 118.982 118.982 115.690 3.292 18262 4974 1 8 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.843 -0.102 18262 4975 1 8 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.727 -0.359 18262 4976 1 8 . 1 1 133 133 ASN CB C 133 39.349 39.349 40.080 -0.731 18262 4977 1 8 . 1 1 133 133 ASN H H 133 8.334 8.334 7.812 0.522 18262 4978 1 8 . 1 1 134 134 ASP N N 134 120.983 120.983 124.168 -3.185 18262 4979 1 8 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.801 -0.158 18262 4980 1 8 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.396 0.111 18262 4981 1 8 . 1 1 134 134 ASP CB C 134 41.283 41.283 42.240 -0.957 18262 4982 1 8 . 1 1 134 134 ASP H H 134 8.282 8.282 8.301 -0.019 18262 4983 1 8 . 1 1 135 135 VAL N N 135 119.922 119.922 124.890 -4.968 18262 4984 1 8 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.184 0.013 18262 4985 1 8 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.205 -0.878 18262 4986 1 8 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.295 0.419 18262 4987 1 8 . 1 1 135 135 VAL H H 135 8.080 8.080 8.376 -0.296 18262 4988 1 8 . 1 1 136 136 SER N N 136 119.994 119.994 116.638 3.356 18262 4989 1 8 . 1 1 136 136 SER HA H 136 4.459 4.459 4.388 0.071 18262 4990 1 8 . 1 1 136 136 SER CA C 136 58.412 58.412 59.014 -0.602 18262 4991 1 8 . 1 1 136 136 SER CB C 136 64.068 64.068 63.392 0.676 18262 4992 1 8 . 1 1 136 136 SER H H 136 8.397 8.397 8.114 0.283 18262 4993 1 9 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.506 0.764 18262 4994 1 9 . 1 1 4 4 ASN N N 4 124.122 124.122 118.660 5.462 18262 4995 1 9 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.862 0.965 18262 4996 1 9 . 1 1 4 4 ASN H H 4 7.979 7.979 7.783 0.196 18262 4997 1 9 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.573 0.119 18262 4998 1 9 . 1 1 6 6 HIS CA C 6 56.068 56.068 56.239 -0.171 18262 4999 1 9 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.003 1.099 18262 5000 1 9 . 1 1 7 7 THR N N 7 115.462 115.462 120.807 -5.345 18262 5001 1 9 . 1 1 7 7 THR HA H 7 4.312 4.312 4.448 -0.136 18262 5002 1 9 . 1 1 7 7 THR CA C 7 62.316 62.316 61.694 0.622 18262 5003 1 9 . 1 1 7 7 THR CB C 7 69.849 69.849 70.011 -0.162 18262 5004 1 9 . 1 1 7 7 THR H H 7 8.132 8.132 8.204 -0.072 18262 5005 1 9 . 1 1 8 8 THR N N 8 115.752 115.752 112.758 2.994 18262 5006 1 9 . 1 1 8 8 THR HA H 8 4.164 4.164 4.265 -0.101 18262 5007 1 9 . 1 1 8 8 THR CA C 8 58.419 58.419 57.654 0.765 18262 5008 1 9 . 1 1 8 8 THR CB C 8 69.385 69.385 69.818 -0.433 18262 5009 1 9 . 1 1 8 8 THR H H 8 7.981 7.981 7.806 0.175 18262 5010 1 9 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.756 0.196 18262 5011 1 9 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.450 -0.415 18262 5012 1 9 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.233 0.426 18262 5013 1 9 . 1 1 10 10 TRP N N 10 111.703 111.703 114.789 -3.086 18262 5014 1 9 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.676 0.220 18262 5015 1 9 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.019 -1.550 18262 5016 1 9 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.809 2.437 18262 5017 1 9 . 1 1 10 10 TRP H H 10 6.710 6.710 7.263 -0.553 18262 5018 1 9 . 1 1 11 11 THR N N 11 106.459 106.459 115.723 -9.264 18262 5019 1 9 . 1 1 11 11 THR HA H 11 3.893 3.893 4.217 -0.324 18262 5020 1 9 . 1 1 11 11 THR CA C 11 64.050 64.050 64.178 -0.128 18262 5021 1 9 . 1 1 11 11 THR CB C 11 69.312 69.312 68.855 0.457 18262 5022 1 9 . 1 1 11 11 THR H H 11 7.197 7.197 7.409 -0.212 18262 5023 1 9 . 1 1 12 12 ASN N N 12 116.465 116.465 117.429 -0.964 18262 5024 1 9 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.090 0.018 18262 5025 1 9 . 1 1 12 12 ASN CA C 12 51.325 51.325 51.062 0.263 18262 5026 1 9 . 1 1 12 12 ASN CB C 12 40.629 40.629 39.718 0.911 18262 5027 1 9 . 1 1 12 12 ASN H H 12 7.285 7.285 7.466 -0.181 18262 5028 1 9 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.348 -0.149 18262 5029 1 9 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.595 -0.084 18262 5030 1 9 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.187 0.365 18262 5031 1 9 . 1 1 14 14 GLY N N 14 109.155 109.155 106.117 3.038 18262 5032 1 9 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.101 0.053 18262 5033 1 9 . 1 1 14 14 GLY H H 14 8.364 8.364 8.980 -0.616 18262 5034 1 9 . 1 1 15 15 LEU N N 15 124.654 124.654 123.403 1.251 18262 5035 1 9 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.088 0.249 18262 5036 1 9 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.253 0.294 18262 5037 1 9 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.754 -0.084 18262 5038 1 9 . 1 1 15 15 LEU H H 15 7.910 7.910 7.558 0.352 18262 5039 1 9 . 1 1 16 16 ALA N N 16 121.271 121.271 122.270 -0.999 18262 5040 1 9 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.192 -0.188 18262 5041 1 9 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.464 0.966 18262 5042 1 9 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.275 1.178 18262 5043 1 9 . 1 1 16 16 ALA H H 16 8.440 8.440 8.729 -0.289 18262 5044 1 9 . 1 1 17 17 GLU N N 17 117.125 117.125 119.686 -2.561 18262 5045 1 9 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.096 -0.135 18262 5046 1 9 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.452 0.161 18262 5047 1 9 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.477 0.525 18262 5048 1 9 . 1 1 17 17 GLU H H 17 7.971 7.971 8.036 -0.065 18262 5049 1 9 . 1 1 18 18 ASN N N 18 118.526 118.526 118.349 0.177 18262 5050 1 9 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.465 0.078 18262 5051 1 9 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.570 -0.274 18262 5052 1 9 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.742 -0.420 18262 5053 1 9 . 1 1 18 18 ASN H H 18 8.071 8.071 8.364 -0.293 18262 5054 1 9 . 1 1 19 19 PHE N N 19 122.197 122.197 122.562 -0.365 18262 5055 1 9 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.193 -0.318 18262 5056 1 9 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.972 0.328 18262 5057 1 9 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.191 0.308 18262 5058 1 9 . 1 1 19 19 PHE H H 19 9.658 9.658 9.023 0.635 18262 5059 1 9 . 1 1 20 20 MET N N 20 118.488 118.488 118.289 0.199 18262 5060 1 9 . 1 1 20 20 MET HA H 20 4.432 4.432 3.994 0.438 18262 5061 1 9 . 1 1 20 20 MET CA C 20 57.732 57.732 57.606 0.126 18262 5062 1 9 . 1 1 20 20 MET CB C 20 31.999 31.999 31.326 0.673 18262 5063 1 9 . 1 1 20 20 MET H H 20 8.874 8.874 8.458 0.416 18262 5064 1 9 . 1 1 21 21 ASN N N 21 118.434 118.434 118.555 -0.121 18262 5065 1 9 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.515 0.024 18262 5066 1 9 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.766 -0.498 18262 5067 1 9 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.825 -0.840 18262 5068 1 9 . 1 1 21 21 ASN H H 21 8.468 8.468 8.796 -0.328 18262 5069 1 9 . 1 1 22 22 SER N N 22 116.181 116.181 115.922 0.259 18262 5070 1 9 . 1 1 22 22 SER HA H 22 4.193 4.193 4.208 -0.015 18262 5071 1 9 . 1 1 22 22 SER CA C 22 62.195 62.195 62.012 0.183 18262 5072 1 9 . 1 1 22 22 SER CB C 22 62.997 62.997 63.111 -0.114 18262 5073 1 9 . 1 1 22 22 SER H H 22 7.936 7.936 8.199 -0.263 18262 5074 1 9 . 1 1 23 23 PHE N N 23 125.045 125.045 124.218 0.827 18262 5075 1 9 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.105 -0.091 18262 5076 1 9 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.352 -0.889 18262 5077 1 9 . 1 1 23 23 PHE CB C 23 38.969 38.969 39.051 -0.082 18262 5078 1 9 . 1 1 23 23 PHE H H 23 9.054 9.054 8.055 0.999 18262 5079 1 9 . 1 1 24 24 MET N N 24 117.336 117.336 117.359 -0.023 18262 5080 1 9 . 1 1 24 24 MET HA H 24 4.029 4.029 3.742 0.287 18262 5081 1 9 . 1 1 24 24 MET CA C 24 56.117 56.117 59.281 -3.164 18262 5082 1 9 . 1 1 24 24 MET CB C 24 30.378 30.378 31.864 -1.486 18262 5083 1 9 . 1 1 24 24 MET H H 24 8.314 8.314 8.743 -0.429 18262 5084 1 9 . 1 1 25 25 GLN N N 25 120.286 120.286 118.851 1.435 18262 5085 1 9 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.049 -0.067 18262 5086 1 9 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.213 0.993 18262 5087 1 9 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.585 -0.281 18262 5088 1 9 . 1 1 25 25 GLN H H 25 8.044 8.044 8.148 -0.104 18262 5089 1 9 . 1 1 26 26 GLY N N 26 107.817 107.817 108.034 -0.217 18262 5090 1 9 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.450 0.568 18262 5091 1 9 . 1 1 26 26 GLY H H 26 8.101 8.101 7.841 0.260 18262 5092 1 9 . 1 1 27 27 LEU N N 27 122.926 122.926 122.567 0.359 18262 5093 1 9 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.933 -0.147 18262 5094 1 9 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.812 0.582 18262 5095 1 9 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.243 0.865 18262 5096 1 9 . 1 1 27 27 LEU H H 27 8.391 8.391 8.231 0.160 18262 5097 1 9 . 1 1 28 28 SER N N 28 109.497 109.497 112.832 -3.335 18262 5098 1 9 . 1 1 28 28 SER HA H 28 4.150 4.150 4.214 -0.064 18262 5099 1 9 . 1 1 28 28 SER CA C 28 61.223 61.223 60.685 0.538 18262 5100 1 9 . 1 1 28 28 SER CB C 28 63.390 63.390 62.765 0.625 18262 5101 1 9 . 1 1 28 28 SER H H 28 7.519 7.519 7.626 -0.107 18262 5102 1 9 . 1 1 29 29 SER N N 29 114.590 114.590 115.154 -0.564 18262 5103 1 9 . 1 1 29 29 SER HA H 29 4.739 4.739 4.437 0.302 18262 5104 1 9 . 1 1 29 29 SER CA C 29 58.035 58.035 58.806 -0.771 18262 5105 1 9 . 1 1 29 29 SER CB C 29 64.626 64.626 64.055 0.571 18262 5106 1 9 . 1 1 29 29 SER H H 29 7.451 7.451 7.622 -0.171 18262 5107 1 9 . 1 1 30 30 MET N N 30 122.408 122.408 122.378 0.030 18262 5108 1 9 . 1 1 30 30 MET HA H 30 4.946 4.946 4.842 0.104 18262 5109 1 9 . 1 1 30 30 MET CA C 30 53.633 53.633 53.107 0.526 18262 5110 1 9 . 1 1 30 30 MET CB C 30 32.300 32.300 32.405 -0.105 18262 5111 1 9 . 1 1 30 30 MET H H 30 7.659 7.659 7.454 0.205 18262 5112 1 9 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.462 0.206 18262 5113 1 9 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.317 -0.367 18262 5114 1 9 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.607 0.205 18262 5115 1 9 . 1 1 32 32 GLY N N 32 106.245 106.245 106.587 -0.342 18262 5116 1 9 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.388 0.404 18262 5117 1 9 . 1 1 32 32 GLY H H 32 8.407 8.407 8.598 -0.192 18262 5118 1 9 . 1 1 33 33 PHE N N 33 116.330 116.330 123.756 -7.426 18262 5119 1 9 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.718 0.439 18262 5120 1 9 . 1 1 33 33 PHE CA C 33 56.933 56.933 58.313 -1.380 18262 5121 1 9 . 1 1 33 33 PHE CB C 33 42.112 42.112 39.922 2.190 18262 5122 1 9 . 1 1 33 33 PHE H H 33 7.865 7.865 7.639 0.226 18262 5123 1 9 . 1 1 34 34 THR N N 34 113.680 113.680 118.234 -4.554 18262 5124 1 9 . 1 1 34 34 THR HA H 34 4.544 4.544 4.583 -0.039 18262 5125 1 9 . 1 1 34 34 THR CA C 34 60.409 60.409 59.985 0.424 18262 5126 1 9 . 1 1 34 34 THR CB C 34 70.714 70.714 70.344 0.370 18262 5127 1 9 . 1 1 34 34 THR H H 34 8.895 8.895 8.211 0.684 18262 5128 1 9 . 1 1 35 35 ALA N N 35 123.074 123.074 126.380 -3.306 18262 5129 1 9 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.042 0.043 18262 5130 1 9 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.464 0.433 18262 5131 1 9 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.481 -0.313 18262 5132 1 9 . 1 1 35 35 ALA H H 35 8.880 8.880 8.593 0.287 18262 5133 1 9 . 1 1 36 36 SER N N 36 112.915 112.915 112.787 0.128 18262 5134 1 9 . 1 1 36 36 SER HA H 36 4.273 4.273 4.151 0.122 18262 5135 1 9 . 1 1 36 36 SER CA C 36 61.473 61.473 61.310 0.163 18262 5136 1 9 . 1 1 36 36 SER CB C 36 62.441 62.441 62.931 -0.490 18262 5137 1 9 . 1 1 36 36 SER H H 36 8.413 8.413 8.580 -0.167 18262 5138 1 9 . 1 1 37 37 GLN N N 37 121.627 121.627 120.714 0.913 18262 5139 1 9 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.305 -0.029 18262 5140 1 9 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.186 0.522 18262 5141 1 9 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.767 0.426 18262 5142 1 9 . 1 1 37 37 GLN H H 37 7.639 7.639 7.631 0.008 18262 5143 1 9 . 1 1 38 38 LEU N N 38 119.757 119.757 121.000 -1.243 18262 5144 1 9 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.962 -0.135 18262 5145 1 9 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.372 0.627 18262 5146 1 9 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.390 -0.364 18262 5147 1 9 . 1 1 38 38 LEU H H 38 8.351 8.351 8.432 -0.081 18262 5148 1 9 . 1 1 39 39 ASP N N 39 122.097 122.097 120.468 1.629 18262 5149 1 9 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.283 0.153 18262 5150 1 9 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.449 -0.669 18262 5151 1 9 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.767 -0.396 18262 5152 1 9 . 1 1 39 39 ASP H H 39 7.962 7.962 8.106 -0.144 18262 5153 1 9 . 1 1 40 40 ASP N N 40 122.033 122.033 118.606 3.427 18262 5154 1 9 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.451 0.039 18262 5155 1 9 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.369 1.521 18262 5156 1 9 . 1 1 40 40 ASP CB C 40 40.260 40.260 40.843 -0.583 18262 5157 1 9 . 1 1 40 40 ASP H H 40 8.052 8.052 7.588 0.464 18262 5158 1 9 . 1 1 41 41 MET N N 41 121.130 121.130 118.800 2.330 18262 5159 1 9 . 1 1 41 41 MET HA H 41 4.191 4.191 4.107 0.084 18262 5160 1 9 . 1 1 41 41 MET CA C 41 57.798 57.798 57.832 -0.034 18262 5161 1 9 . 1 1 41 41 MET CB C 41 31.529 31.529 31.292 0.237 18262 5162 1 9 . 1 1 41 41 MET H H 41 8.708 8.708 8.315 0.393 18262 5163 1 9 . 1 1 42 42 SER N N 42 116.303 116.303 114.622 1.681 18262 5164 1 9 . 1 1 42 42 SER HA H 42 4.301 4.301 4.276 0.025 18262 5165 1 9 . 1 1 42 42 SER CA C 42 62.145 62.145 61.858 0.287 18262 5166 1 9 . 1 1 42 42 SER CB C 42 62.835 62.835 62.622 0.213 18262 5167 1 9 . 1 1 42 42 SER H H 42 8.364 8.364 8.348 0.016 18262 5168 1 9 . 1 1 43 43 THR N N 43 119.136 119.136 119.274 -0.138 18262 5169 1 9 . 1 1 43 43 THR HA H 43 4.051 4.051 4.109 -0.058 18262 5170 1 9 . 1 1 43 43 THR CA C 43 66.673 66.673 67.227 -0.554 18262 5171 1 9 . 1 1 43 43 THR CB C 43 68.635 68.635 68.649 -0.014 18262 5172 1 9 . 1 1 43 43 THR H H 43 7.944 7.944 7.464 0.480 18262 5173 1 9 . 1 1 44 44 ILE N N 44 122.789 122.789 121.698 1.091 18262 5174 1 9 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.671 0.277 18262 5175 1 9 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.593 -0.946 18262 5176 1 9 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.578 0.469 18262 5177 1 9 . 1 1 44 44 ILE H H 44 7.856 7.856 8.189 -0.333 18262 5178 1 9 . 1 1 45 45 ALA N N 45 124.903 124.903 119.516 5.387 18262 5179 1 9 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.169 -0.035 18262 5180 1 9 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.760 1.319 18262 5181 1 9 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.568 0.410 18262 5182 1 9 . 1 1 45 45 ALA H H 45 8.868 8.868 8.335 0.533 18262 5183 1 9 . 1 1 46 46 GLN N N 46 116.435 116.435 114.914 1.521 18262 5184 1 9 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.271 -0.207 18262 5185 1 9 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.672 1.301 18262 5186 1 9 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.334 -1.014 18262 5187 1 9 . 1 1 46 46 GLN H H 46 8.253 8.253 7.420 0.833 18262 5188 1 9 . 1 1 47 47 SER N N 47 116.211 116.211 117.495 -1.284 18262 5189 1 9 . 1 1 47 47 SER HA H 47 4.249 4.249 4.789 -0.540 18262 5190 1 9 . 1 1 47 47 SER CA C 47 61.766 61.766 60.466 1.300 18262 5191 1 9 . 1 1 47 47 SER CB C 47 62.874 62.874 63.282 -0.408 18262 5192 1 9 . 1 1 47 47 SER H H 47 8.242 8.242 8.823 -0.581 18262 5193 1 9 . 1 1 48 48 MET N N 48 122.179 122.179 123.603 -1.424 18262 5194 1 9 . 1 1 48 48 MET HA H 48 4.109 4.109 4.147 -0.038 18262 5195 1 9 . 1 1 48 48 MET CA C 48 57.695 57.695 57.882 -0.187 18262 5196 1 9 . 1 1 48 48 MET CB C 48 31.370 31.370 32.090 -0.720 18262 5197 1 9 . 1 1 48 48 MET H H 48 8.198 8.198 8.056 0.142 18262 5198 1 9 . 1 1 49 49 VAL N N 49 118.918 118.918 118.885 0.033 18262 5199 1 9 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.516 -0.237 18262 5200 1 9 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.575 1.362 18262 5201 1 9 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.259 0.294 18262 5202 1 9 . 1 1 49 49 VAL H H 49 7.791 7.791 8.096 -0.305 18262 5203 1 9 . 1 1 50 50 GLN N N 50 118.407 118.407 119.323 -0.916 18262 5204 1 9 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.166 -0.074 18262 5205 1 9 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.019 0.107 18262 5206 1 9 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.444 -0.241 18262 5207 1 9 . 1 1 50 50 GLN H H 50 8.206 8.206 7.914 0.292 18262 5208 1 9 . 1 1 51 51 SER N N 51 117.680 117.680 116.659 1.021 18262 5209 1 9 . 1 1 51 51 SER HA H 51 4.209 4.209 4.157 0.052 18262 5210 1 9 . 1 1 51 51 SER CA C 51 62.766 62.766 62.729 0.037 18262 5211 1 9 . 1 1 51 51 SER CB C 51 63.014 63.014 62.706 0.308 18262 5212 1 9 . 1 1 51 51 SER H H 51 8.394 8.394 8.133 0.262 18262 5213 1 9 . 1 1 52 52 ILE N N 52 123.233 123.233 122.504 0.729 18262 5214 1 9 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.628 -0.065 18262 5215 1 9 . 1 1 52 52 ILE CA C 52 64.881 64.881 65.370 -0.489 18262 5216 1 9 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.475 0.396 18262 5217 1 9 . 1 1 52 52 ILE H H 52 8.135 8.135 7.637 0.498 18262 5218 1 9 . 1 1 53 53 GLN N N 53 119.911 119.911 119.299 0.612 18262 5219 1 9 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.015 -0.090 18262 5220 1 9 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.889 0.682 18262 5221 1 9 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.504 -0.571 18262 5222 1 9 . 1 1 53 53 GLN H H 53 8.600 8.600 8.558 0.042 18262 5223 1 9 . 1 1 54 54 SER N N 54 115.414 115.414 114.365 1.049 18262 5224 1 9 . 1 1 54 54 SER HA H 54 4.308 4.308 4.468 -0.160 18262 5225 1 9 . 1 1 54 54 SER CA C 54 61.468 61.468 61.099 0.369 18262 5226 1 9 . 1 1 54 54 SER CB C 54 62.950 62.950 63.860 -0.910 18262 5227 1 9 . 1 1 54 54 SER H H 54 8.304 8.304 7.754 0.550 18262 5228 1 9 . 1 1 55 55 LEU N N 55 121.576 121.576 123.114 -1.538 18262 5229 1 9 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.098 -0.033 18262 5230 1 9 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.530 0.183 18262 5231 1 9 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.823 0.530 18262 5232 1 9 . 1 1 55 55 LEU H H 55 7.881 7.881 8.301 -0.420 18262 5233 1 9 . 1 1 56 56 ALA N N 56 121.244 121.244 118.188 3.056 18262 5234 1 9 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.301 -0.069 18262 5235 1 9 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.376 1.025 18262 5236 1 9 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.904 -0.642 18262 5237 1 9 . 1 1 56 56 ALA H H 56 8.007 8.007 8.089 -0.082 18262 5238 1 9 . 1 1 57 57 ALA N N 57 121.370 121.370 120.995 0.375 18262 5239 1 9 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.403 -0.190 18262 5240 1 9 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.930 0.586 18262 5241 1 9 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.779 -1.239 18262 5242 1 9 . 1 1 57 57 ALA H H 57 8.026 8.026 7.520 0.506 18262 5243 1 9 . 1 1 58 58 GLN N N 58 114.464 114.464 118.027 -3.563 18262 5244 1 9 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.494 -0.150 18262 5245 1 9 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.630 0.397 18262 5246 1 9 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.176 0.511 18262 5247 1 9 . 1 1 58 58 GLN H H 58 7.759 7.759 8.371 -0.612 18262 5248 1 9 . 1 1 59 59 GLY N N 59 108.318 108.318 108.844 -0.526 18262 5249 1 9 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.195 1.941 18262 5250 1 9 . 1 1 59 59 GLY H H 59 7.905 7.905 7.498 0.407 18262 5251 1 9 . 1 1 60 60 ARG N N 60 118.325 118.325 120.496 -2.171 18262 5252 1 9 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.520 0.006 18262 5253 1 9 . 1 1 60 60 ARG CA C 60 55.728 55.728 54.997 0.731 18262 5254 1 9 . 1 1 60 60 ARG CB C 60 31.690 31.690 32.049 -0.359 18262 5255 1 9 . 1 1 60 60 ARG H H 60 8.097 8.097 8.351 -0.254 18262 5256 1 9 . 1 1 61 61 THR N N 61 116.640 116.640 121.728 -5.088 18262 5257 1 9 . 1 1 61 61 THR HA H 61 4.782 4.782 4.509 0.273 18262 5258 1 9 . 1 1 61 61 THR CA C 61 63.339 63.339 61.653 1.686 18262 5259 1 9 . 1 1 61 61 THR CB C 61 68.819 68.819 68.571 0.248 18262 5260 1 9 . 1 1 61 61 THR H H 61 8.038 8.038 8.401 -0.363 18262 5261 1 9 . 1 1 62 62 SER N N 62 119.882 119.882 122.961 -3.079 18262 5262 1 9 . 1 1 62 62 SER HA H 62 4.899 4.899 4.811 0.088 18262 5263 1 9 . 1 1 62 62 SER CA C 62 56.263 56.263 56.191 0.072 18262 5264 1 9 . 1 1 62 62 SER CB C 62 63.827 63.827 63.544 0.283 18262 5265 1 9 . 1 1 62 62 SER H H 62 7.792 7.792 8.087 -0.295 18262 5266 1 9 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.221 0.078 18262 5267 1 9 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.600 0.216 18262 5268 1 9 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.807 0.410 18262 5269 1 9 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.537 0.010 18262 5270 1 9 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.388 0.807 18262 5271 1 9 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.550 0.520 18262 5272 1 9 . 1 1 65 65 LYS N N 65 121.063 121.063 119.849 1.214 18262 5273 1 9 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.130 0.052 18262 5274 1 9 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.536 0.016 18262 5275 1 9 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.071 0.637 18262 5276 1 9 . 1 1 65 65 LYS H H 65 7.762 7.762 8.053 -0.291 18262 5277 1 9 . 1 1 66 66 LEU N N 66 119.082 119.082 117.873 1.209 18262 5278 1 9 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.336 -0.273 18262 5279 1 9 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.281 0.718 18262 5280 1 9 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.730 0.731 18262 5281 1 9 . 1 1 66 66 LEU H H 66 7.934 7.934 7.495 0.439 18262 5282 1 9 . 1 1 67 67 GLN N N 67 119.220 119.220 114.744 4.476 18262 5283 1 9 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.515 -0.308 18262 5284 1 9 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.700 2.387 18262 5285 1 9 . 1 1 67 67 GLN CB C 67 28.215 28.215 29.240 -1.025 18262 5286 1 9 . 1 1 67 67 GLN H H 67 8.201 8.201 7.483 0.718 18262 5287 1 9 . 1 1 68 68 ALA N N 68 121.749 121.749 120.988 0.761 18262 5288 1 9 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.461 -0.282 18262 5289 1 9 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.021 1.254 18262 5290 1 9 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.352 -2.247 18262 5291 1 9 . 1 1 68 68 ALA H H 68 7.739 7.739 7.534 0.205 18262 5292 1 9 . 1 1 69 69 LEU N N 69 120.591 120.591 118.805 1.786 18262 5293 1 9 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.854 0.141 18262 5294 1 9 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.422 0.552 18262 5295 1 9 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.254 0.084 18262 5296 1 9 . 1 1 69 69 LEU H H 69 7.888 7.888 8.609 -0.721 18262 5297 1 9 . 1 1 70 70 ASN N N 70 119.586 119.586 116.448 3.138 18262 5298 1 9 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.242 -0.711 18262 5299 1 9 . 1 1 70 70 ASN CA C 70 57.020 57.020 55.835 1.185 18262 5300 1 9 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.261 0.586 18262 5301 1 9 . 1 1 70 70 ASN H H 70 8.356 8.356 8.659 -0.303 18262 5302 1 9 . 1 1 71 71 MET N N 71 117.354 117.354 115.920 1.434 18262 5303 1 9 . 1 1 71 71 MET HA H 71 4.271 4.271 4.796 -0.525 18262 5304 1 9 . 1 1 71 71 MET CA C 71 59.088 59.088 57.635 1.453 18262 5305 1 9 . 1 1 71 71 MET CB C 71 32.746 32.746 33.416 -0.670 18262 5306 1 9 . 1 1 71 71 MET H H 71 8.207 8.207 7.776 0.431 18262 5307 1 9 . 1 1 72 72 ALA N N 72 123.354 123.354 124.401 -1.047 18262 5308 1 9 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.962 0.112 18262 5309 1 9 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.212 -0.085 18262 5310 1 9 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.173 -0.016 18262 5311 1 9 . 1 1 72 72 ALA H H 72 8.075 8.075 8.034 0.041 18262 5312 1 9 . 1 1 73 73 PHE N N 73 120.968 120.968 117.043 3.925 18262 5313 1 9 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.237 0.281 18262 5314 1 9 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.389 0.043 18262 5315 1 9 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.012 1.585 18262 5316 1 9 . 1 1 73 73 PHE H H 73 8.546 8.546 8.048 0.498 18262 5317 1 9 . 1 1 74 74 ALA N N 74 119.865 119.865 123.067 -3.202 18262 5318 1 9 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.546 0.195 18262 5319 1 9 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.751 0.643 18262 5320 1 9 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.549 2.860 18262 5321 1 9 . 1 1 74 74 ALA H H 74 8.593 8.593 7.341 1.252 18262 5322 1 9 . 1 1 75 75 SER N N 75 112.870 112.870 113.974 -1.104 18262 5323 1 9 . 1 1 75 75 SER HA H 75 3.581 3.581 3.995 -0.414 18262 5324 1 9 . 1 1 75 75 SER CA C 75 61.879 61.879 60.765 1.114 18262 5325 1 9 . 1 1 75 75 SER CB C 75 62.010 62.010 62.155 -0.145 18262 5326 1 9 . 1 1 75 75 SER H H 75 8.501 8.501 8.082 0.419 18262 5327 1 9 . 1 1 76 76 SER N N 76 118.492 118.492 117.718 0.774 18262 5328 1 9 . 1 1 76 76 SER HA H 76 4.301 4.301 4.239 0.062 18262 5329 1 9 . 1 1 76 76 SER CA C 76 62.748 62.748 61.067 1.681 18262 5330 1 9 . 1 1 76 76 SER CB C 76 63.013 63.013 62.900 0.113 18262 5331 1 9 . 1 1 76 76 SER H H 76 8.152 8.152 7.853 0.299 18262 5332 1 9 . 1 1 77 77 MET N N 77 120.358 120.358 120.708 -0.350 18262 5333 1 9 . 1 1 77 77 MET HA H 77 3.999 3.999 4.389 -0.390 18262 5334 1 9 . 1 1 77 77 MET CA C 77 60.024 60.024 58.861 1.163 18262 5335 1 9 . 1 1 77 77 MET CB C 77 34.657 34.657 32.715 1.942 18262 5336 1 9 . 1 1 77 77 MET H H 77 8.130 8.130 8.155 -0.025 18262 5337 1 9 . 1 1 78 78 ALA N N 78 121.547 121.547 123.552 -2.005 18262 5338 1 9 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.000 -0.074 18262 5339 1 9 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.813 -0.217 18262 5340 1 9 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.953 2.446 18262 5341 1 9 . 1 1 78 78 ALA H H 78 8.534 8.534 8.319 0.215 18262 5342 1 9 . 1 1 79 79 GLU N N 79 116.654 116.654 118.254 -1.600 18262 5343 1 9 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.042 -0.062 18262 5344 1 9 . 1 1 79 79 GLU CA C 79 59.402 59.402 59.192 0.210 18262 5345 1 9 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.201 0.622 18262 5346 1 9 . 1 1 79 79 GLU H H 79 7.557 7.557 7.725 -0.168 18262 5347 1 9 . 1 1 80 80 ILE N N 80 118.293 118.293 120.576 -2.283 18262 5348 1 9 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.954 0.004 18262 5349 1 9 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.891 -1.105 18262 5350 1 9 . 1 1 80 80 ILE CB C 80 38.307 38.307 37.939 0.368 18262 5351 1 9 . 1 1 80 80 ILE H H 80 7.239 7.239 7.395 -0.156 18262 5352 1 9 . 1 1 81 81 ALA N N 81 121.511 121.511 123.182 -1.671 18262 5353 1 9 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.022 -0.062 18262 5354 1 9 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.463 0.275 18262 5355 1 9 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.893 -0.936 18262 5356 1 9 . 1 1 81 81 ALA H H 81 8.595 8.595 8.358 0.237 18262 5357 1 9 . 1 1 82 82 ALA N N 82 116.183 116.183 118.043 -1.860 18262 5358 1 9 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.462 -0.174 18262 5359 1 9 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.466 1.135 18262 5360 1 9 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.965 0.428 18262 5361 1 9 . 1 1 82 82 ALA H H 82 8.001 8.001 7.786 0.215 18262 5362 1 9 . 1 1 83 83 SER N N 83 113.212 113.212 115.858 -2.646 18262 5363 1 9 . 1 1 83 83 SER HA H 83 4.319 4.319 4.367 -0.048 18262 5364 1 9 . 1 1 83 83 SER CA C 83 59.243 59.243 58.840 0.403 18262 5365 1 9 . 1 1 83 83 SER CB C 83 63.971 63.971 63.998 -0.027 18262 5366 1 9 . 1 1 83 83 SER H H 83 7.391 7.391 7.392 -0.001 18262 5367 1 9 . 1 1 84 84 GLU N N 84 123.385 123.385 126.227 -2.842 18262 5368 1 9 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.257 0.174 18262 5369 1 9 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.907 -0.251 18262 5370 1 9 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.314 1.262 18262 5371 1 9 . 1 1 84 84 GLU H H 84 8.421 8.421 8.640 -0.219 18262 5372 1 9 . 1 1 85 85 GLU N N 85 121.674 121.674 124.109 -2.435 18262 5373 1 9 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.461 -0.187 18262 5374 1 9 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.513 1.614 18262 5375 1 9 . 1 1 85 85 GLU CB C 85 30.191 30.191 32.407 -2.216 18262 5376 1 9 . 1 1 85 85 GLU H H 85 8.407 8.407 8.069 0.338 18262 5377 1 9 . 1 1 86 86 GLY N N 86 110.617 110.617 107.064 3.553 18262 5378 1 9 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.438 0.286 18262 5379 1 9 . 1 1 86 86 GLY H H 86 8.564 8.564 8.540 0.024 18262 5380 1 9 . 1 1 87 87 GLY N N 87 108.562 108.562 110.223 -1.661 18262 5381 1 9 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.358 1.108 18262 5382 1 9 . 1 1 87 87 GLY H H 87 8.257 8.257 8.418 -0.161 18262 5383 1 9 . 1 1 88 88 GLY N N 88 107.890 107.890 108.824 -0.934 18262 5384 1 9 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.991 -0.107 18262 5385 1 9 . 1 1 88 88 GLY H H 88 8.100 8.100 8.026 0.074 18262 5386 1 9 . 1 1 89 89 SER N N 89 115.889 115.889 115.292 0.597 18262 5387 1 9 . 1 1 89 89 SER HA H 89 4.594 4.594 4.598 -0.004 18262 5388 1 9 . 1 1 89 89 SER CA C 89 57.382 57.382 56.585 0.797 18262 5389 1 9 . 1 1 89 89 SER CB C 89 65.271 65.271 64.997 0.274 18262 5390 1 9 . 1 1 89 89 SER H H 89 8.474 8.474 8.333 0.141 18262 5391 1 9 . 1 1 90 90 LEU N N 90 124.688 124.688 120.876 3.812 18262 5392 1 9 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.120 0.004 18262 5393 1 9 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.430 1.130 18262 5394 1 9 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.526 -0.108 18262 5395 1 9 . 1 1 90 90 LEU H H 90 8.867 8.867 8.579 0.288 18262 5396 1 9 . 1 1 91 91 SER N N 91 114.045 114.045 115.434 -1.389 18262 5397 1 9 . 1 1 91 91 SER CA C 91 61.331 61.331 61.940 -0.608 18262 5398 1 9 . 1 1 91 91 SER CB C 91 62.080 62.080 63.023 -0.942 18262 5399 1 9 . 1 1 91 91 SER H H 91 8.501 8.501 7.809 0.692 18262 5400 1 9 . 1 1 92 92 THR N N 92 121.036 121.036 118.080 2.956 18262 5401 1 9 . 1 1 92 92 THR HA H 92 4.006 4.006 4.292 -0.286 18262 5402 1 9 . 1 1 92 92 THR CA C 92 66.537 66.537 65.883 0.654 18262 5403 1 9 . 1 1 92 92 THR CB C 92 68.326 68.326 68.747 -0.421 18262 5404 1 9 . 1 1 92 92 THR H H 92 7.818 7.818 7.733 0.085 18262 5405 1 9 . 1 1 93 93 LYS N N 93 120.426 120.426 122.574 -2.148 18262 5406 1 9 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.738 0.051 18262 5407 1 9 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.800 1.313 18262 5408 1 9 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.868 1.601 18262 5409 1 9 . 1 1 93 93 LYS H H 93 8.146 8.146 7.496 0.650 18262 5410 1 9 . 1 1 94 94 THR N N 94 111.775 111.775 112.348 -0.573 18262 5411 1 9 . 1 1 94 94 THR HA H 94 3.933 3.933 4.063 -0.130 18262 5412 1 9 . 1 1 94 94 THR CA C 94 67.228 67.228 66.432 0.796 18262 5413 1 9 . 1 1 94 94 THR CB C 94 68.083 68.083 68.359 -0.275 18262 5414 1 9 . 1 1 94 94 THR H H 94 8.881 8.881 8.304 0.577 18262 5415 1 9 . 1 1 95 95 SER N N 95 119.066 119.066 118.928 0.138 18262 5416 1 9 . 1 1 95 95 SER HA H 95 4.397 4.397 4.115 0.282 18262 5417 1 9 . 1 1 95 95 SER CA C 95 62.060 62.060 62.283 -0.223 18262 5418 1 9 . 1 1 95 95 SER CB C 95 62.693 62.693 62.827 -0.134 18262 5419 1 9 . 1 1 95 95 SER H H 95 8.134 8.134 8.151 -0.017 18262 5420 1 9 . 1 1 96 96 SER N N 96 121.588 121.588 119.311 2.277 18262 5421 1 9 . 1 1 96 96 SER HA H 96 4.462 4.462 4.244 0.218 18262 5422 1 9 . 1 1 96 96 SER CA C 96 62.623 62.623 61.821 0.802 18262 5423 1 9 . 1 1 96 96 SER CB C 96 62.866 62.866 63.379 -0.513 18262 5424 1 9 . 1 1 96 96 SER H H 96 8.642 8.642 7.737 0.905 18262 5425 1 9 . 1 1 97 97 ILE N N 97 122.467 122.467 123.111 -0.644 18262 5426 1 9 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.738 0.059 18262 5427 1 9 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.841 0.993 18262 5428 1 9 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.866 0.849 18262 5429 1 9 . 1 1 97 97 ILE H H 97 8.482 8.482 8.412 0.070 18262 5430 1 9 . 1 1 98 98 ALA N N 98 122.100 122.100 121.719 0.381 18262 5431 1 9 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.038 0.016 18262 5432 1 9 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.486 0.742 18262 5433 1 9 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.276 0.141 18262 5434 1 9 . 1 1 98 98 ALA H H 98 8.437 8.437 8.426 0.011 18262 5435 1 9 . 1 1 99 99 SER N N 99 115.737 115.737 115.204 0.533 18262 5436 1 9 . 1 1 99 99 SER HA H 99 4.366 4.366 4.244 0.122 18262 5437 1 9 . 1 1 99 99 SER CA C 99 62.029 62.029 62.184 -0.156 18262 5438 1 9 . 1 1 99 99 SER CB C 99 63.230 63.230 63.060 0.170 18262 5439 1 9 . 1 1 99 99 SER H H 99 8.658 8.658 7.735 0.923 18262 5440 1 9 . 1 1 100 100 ALA N N 100 124.292 124.292 125.358 -1.066 18262 5441 1 9 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.933 0.312 18262 5442 1 9 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.242 0.149 18262 5443 1 9 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.186 0.306 18262 5444 1 9 . 1 1 100 100 ALA H H 100 8.976 8.976 8.406 0.570 18262 5445 1 9 . 1 1 101 101 MET N N 101 119.143 119.143 117.575 1.568 18262 5446 1 9 . 1 1 101 101 MET HA H 101 4.054 4.054 4.048 0.006 18262 5447 1 9 . 1 1 101 101 MET CA C 101 61.026 61.026 59.769 1.257 18262 5448 1 9 . 1 1 101 101 MET CB C 101 34.483 34.483 32.743 1.740 18262 5449 1 9 . 1 1 101 101 MET H H 101 9.063 9.063 8.100 0.963 18262 5450 1 9 . 1 1 102 102 SER N N 102 116.778 116.778 116.165 0.613 18262 5451 1 9 . 1 1 102 102 SER HA H 102 4.363 4.363 4.192 0.171 18262 5452 1 9 . 1 1 102 102 SER CA C 102 63.348 63.348 62.122 1.226 18262 5453 1 9 . 1 1 102 102 SER CB C 102 62.593 62.593 63.048 -0.455 18262 5454 1 9 . 1 1 102 102 SER H H 102 8.693 8.693 8.167 0.526 18262 5455 1 9 . 1 1 103 103 ASN N N 103 117.982 117.982 119.250 -1.268 18262 5456 1 9 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.560 -0.096 18262 5457 1 9 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.875 0.787 18262 5458 1 9 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.634 -0.117 18262 5459 1 9 . 1 1 103 103 ASN H H 103 8.108 8.108 8.253 -0.145 18262 5460 1 9 . 1 1 104 104 ALA N N 104 122.272 122.272 122.715 -0.443 18262 5461 1 9 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.073 0.167 18262 5462 1 9 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.048 -0.205 18262 5463 1 9 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.412 -0.179 18262 5464 1 9 . 1 1 104 104 ALA H H 104 7.892 7.892 8.118 -0.226 18262 5465 1 9 . 1 1 105 105 PHE N N 105 119.096 119.096 117.887 1.209 18262 5466 1 9 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.671 -0.271 18262 5467 1 9 . 1 1 105 105 PHE CA C 105 63.843 63.843 58.511 5.332 18262 5468 1 9 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.629 -0.142 18262 5469 1 9 . 1 1 105 105 PHE H H 105 8.580 8.580 8.168 0.412 18262 5470 1 9 . 1 1 106 106 LEU N N 106 121.540 121.540 118.609 2.931 18262 5471 1 9 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.131 -0.395 18262 5472 1 9 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.337 1.819 18262 5473 1 9 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.763 -0.428 18262 5474 1 9 . 1 1 106 106 LEU H H 106 8.226 8.226 7.386 0.840 18262 5475 1 9 . 1 1 107 107 GLN N N 107 114.603 114.603 117.523 -2.920 18262 5476 1 9 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.203 -0.013 18262 5477 1 9 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.662 -0.244 18262 5478 1 9 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.727 0.764 18262 5479 1 9 . 1 1 107 107 GLN H H 107 8.132 8.132 7.719 0.413 18262 5480 1 9 . 1 1 108 108 THR N N 108 108.290 108.290 110.357 -2.067 18262 5481 1 9 . 1 1 108 108 THR HA H 108 4.518 4.518 4.334 0.184 18262 5482 1 9 . 1 1 108 108 THR CA C 108 62.483 62.483 63.607 -1.124 18262 5483 1 9 . 1 1 108 108 THR CB C 108 70.390 70.390 69.166 1.224 18262 5484 1 9 . 1 1 108 108 THR H H 108 7.726 7.726 7.527 0.199 18262 5485 1 9 . 1 1 109 109 THR N N 109 113.407 113.407 112.895 0.512 18262 5486 1 9 . 1 1 109 109 THR HA H 109 4.586 4.586 4.289 0.297 18262 5487 1 9 . 1 1 109 109 THR CA C 109 62.325 62.325 61.898 0.427 18262 5488 1 9 . 1 1 109 109 THR CB C 109 70.696 70.696 69.768 0.928 18262 5489 1 9 . 1 1 109 109 THR H H 109 8.907 8.907 7.369 1.538 18262 5490 1 9 . 1 1 110 110 GLY N N 110 109.267 109.267 110.429 -1.162 18262 5491 1 9 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.120 0.448 18262 5492 1 9 . 1 1 110 110 GLY H H 110 8.361 8.361 7.856 0.505 18262 5493 1 9 . 1 1 111 111 VAL N N 111 119.375 119.375 120.859 -1.484 18262 5494 1 9 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.233 0.022 18262 5495 1 9 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.135 -0.253 18262 5496 1 9 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.172 1.264 18262 5497 1 9 . 1 1 111 111 VAL H H 111 7.784 7.784 7.548 0.236 18262 5498 1 9 . 1 1 112 112 VAL N N 112 125.327 125.327 123.047 2.280 18262 5499 1 9 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.579 -1.367 18262 5500 1 9 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.521 3.958 18262 5501 1 9 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.265 -1.569 18262 5502 1 9 . 1 1 112 112 VAL H H 112 8.747 8.747 8.214 0.533 18262 5503 1 9 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.801 -0.299 18262 5504 1 9 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.024 -1.831 18262 5505 1 9 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.619 -1.497 18262 5506 1 9 . 1 1 114 114 GLN N N 114 124.067 124.067 128.553 -4.486 18262 5507 1 9 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.361 -0.424 18262 5508 1 9 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.155 -0.737 18262 5509 1 9 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.051 -0.504 18262 5510 1 9 . 1 1 114 114 GLN H H 114 8.394 8.394 8.812 -0.418 18262 5511 1 9 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.212 0.038 18262 5512 1 9 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.126 0.546 18262 5513 1 9 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.175 0.123 18262 5514 1 9 . 1 1 116 116 PHE N N 116 117.820 117.820 119.185 -1.365 18262 5515 1 9 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.146 0.056 18262 5516 1 9 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.495 -0.163 18262 5517 1 9 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.084 0.435 18262 5518 1 9 . 1 1 116 116 PHE H H 116 7.268 7.268 8.044 -0.776 18262 5519 1 9 . 1 1 117 117 ILE N N 117 119.434 119.434 119.357 0.077 18262 5520 1 9 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.323 0.211 18262 5521 1 9 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.347 0.400 18262 5522 1 9 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.542 0.653 18262 5523 1 9 . 1 1 117 117 ILE H H 117 7.641 7.641 8.021 -0.380 18262 5524 1 9 . 1 1 118 118 ASN N N 118 119.834 119.834 118.804 1.030 18262 5525 1 9 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.426 -0.113 18262 5526 1 9 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.908 -0.207 18262 5527 1 9 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.882 -0.361 18262 5528 1 9 . 1 1 118 118 ASN H H 118 8.985 8.985 8.572 0.413 18262 5529 1 9 . 1 1 119 119 GLU N N 119 121.164 121.164 121.152 0.012 18262 5530 1 9 . 1 1 119 119 GLU HA H 119 4.023 4.023 3.989 0.034 18262 5531 1 9 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.314 0.323 18262 5532 1 9 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.519 0.197 18262 5533 1 9 . 1 1 119 119 GLU H H 119 8.090 8.090 8.321 -0.231 18262 5534 1 9 . 1 1 120 120 ILE N N 120 117.906 117.906 118.702 -0.796 18262 5535 1 9 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.658 0.096 18262 5536 1 9 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.967 -0.999 18262 5537 1 9 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.771 -0.957 18262 5538 1 9 . 1 1 120 120 ILE H H 120 8.025 8.025 8.449 -0.424 18262 5539 1 9 . 1 1 121 121 THR N N 121 112.720 112.720 112.638 0.082 18262 5540 1 9 . 1 1 121 121 THR HA H 121 3.767 3.767 3.967 -0.200 18262 5541 1 9 . 1 1 121 121 THR CA C 121 67.203 67.203 66.337 0.866 18262 5542 1 9 . 1 1 121 121 THR CB C 121 68.380 68.380 68.385 -0.005 18262 5543 1 9 . 1 1 121 121 THR H H 121 8.665 8.665 7.925 0.740 18262 5544 1 9 . 1 1 122 122 GLN N N 122 123.165 123.165 121.400 1.765 18262 5545 1 9 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.069 0.019 18262 5546 1 9 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.642 0.620 18262 5547 1 9 . 1 1 122 122 GLN CB C 122 28.161 28.161 27.866 0.295 18262 5548 1 9 . 1 1 122 122 GLN H H 122 8.128 8.128 7.214 0.914 18262 5549 1 9 . 1 1 123 123 LEU N N 123 120.702 120.702 121.149 -0.447 18262 5550 1 9 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.526 0.397 18262 5551 1 9 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.488 -0.370 18262 5552 1 9 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.058 1.932 18262 5553 1 9 . 1 1 123 123 LEU H H 123 8.173 8.173 8.264 -0.091 18262 5554 1 9 . 1 1 124 124 VAL N N 124 118.840 118.840 118.735 0.105 18262 5555 1 9 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.737 -0.122 18262 5556 1 9 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.739 0.585 18262 5557 1 9 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.358 0.195 18262 5558 1 9 . 1 1 124 124 VAL H H 124 8.742 8.742 8.396 0.346 18262 5559 1 9 . 1 1 125 125 SER N N 125 112.613 112.613 115.971 -3.358 18262 5560 1 9 . 1 1 125 125 SER HA H 125 4.050 4.050 4.166 -0.116 18262 5561 1 9 . 1 1 125 125 SER CA C 125 62.568 62.568 61.827 0.741 18262 5562 1 9 . 1 1 125 125 SER CB C 125 62.960 62.960 62.948 0.012 18262 5563 1 9 . 1 1 125 125 SER H H 125 7.883 7.883 7.627 0.256 18262 5564 1 9 . 1 1 126 126 MET N N 126 120.939 120.939 121.923 -0.984 18262 5565 1 9 . 1 1 126 126 MET HA H 126 4.052 4.052 4.098 -0.046 18262 5566 1 9 . 1 1 126 126 MET CA C 126 59.009 59.009 58.336 0.673 18262 5567 1 9 . 1 1 126 126 MET CB C 126 32.780 32.780 32.118 0.662 18262 5568 1 9 . 1 1 126 126 MET H H 126 8.091 8.091 8.347 -0.256 18262 5569 1 9 . 1 1 127 127 PHE N N 127 118.732 118.732 118.789 -0.057 18262 5570 1 9 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.301 0.164 18262 5571 1 9 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.752 -0.156 18262 5572 1 9 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.928 0.983 18262 5573 1 9 . 1 1 127 127 PHE H H 127 8.755 8.755 8.392 0.363 18262 5574 1 9 . 1 1 128 128 ALA N N 128 121.647 121.647 120.909 0.738 18262 5575 1 9 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.124 0.093 18262 5576 1 9 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.165 0.339 18262 5577 1 9 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.995 0.562 18262 5578 1 9 . 1 1 128 128 ALA H H 128 8.638 8.638 8.101 0.537 18262 5579 1 9 . 1 1 129 129 GLN N N 129 115.892 115.892 116.717 -0.825 18262 5580 1 9 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.192 0.031 18262 5581 1 9 . 1 1 129 129 GLN CA C 129 57.240 57.240 56.798 0.442 18262 5582 1 9 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.506 -0.129 18262 5583 1 9 . 1 1 129 129 GLN H H 129 7.789 7.789 7.835 -0.046 18262 5584 1 9 . 1 1 130 130 ALA N N 130 122.349 122.349 120.884 1.465 18262 5585 1 9 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.128 0.143 18262 5586 1 9 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.521 1.386 18262 5587 1 9 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.199 1.786 18262 5588 1 9 . 1 1 130 130 ALA H H 130 7.791 7.791 8.217 -0.426 18262 5589 1 9 . 1 1 131 131 GLY N N 131 106.497 106.497 104.602 1.895 18262 5590 1 9 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.858 -0.086 18262 5591 1 9 . 1 1 131 131 GLY H H 131 8.157 8.157 8.859 -0.702 18262 5592 1 9 . 1 1 132 132 MET N N 132 119.229 119.229 115.467 3.762 18262 5593 1 9 . 1 1 132 132 MET HA H 132 4.473 4.473 4.385 0.088 18262 5594 1 9 . 1 1 132 132 MET CA C 132 55.973 55.973 56.099 -0.126 18262 5595 1 9 . 1 1 132 132 MET CB C 132 33.129 33.129 32.573 0.556 18262 5596 1 9 . 1 1 132 132 MET H H 132 7.929 7.929 7.498 0.431 18262 5597 1 9 . 1 1 133 133 ASN N N 133 118.982 118.982 120.569 -1.587 18262 5598 1 9 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.718 0.023 18262 5599 1 9 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.587 -0.219 18262 5600 1 9 . 1 1 133 133 ASN CB C 133 39.349 39.349 38.796 0.553 18262 5601 1 9 . 1 1 133 133 ASN H H 133 8.334 8.334 7.676 0.658 18262 5602 1 9 . 1 1 134 134 ASP N N 134 120.983 120.983 126.879 -5.896 18262 5603 1 9 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.854 -0.211 18262 5604 1 9 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.684 0.823 18262 5605 1 9 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.448 0.835 18262 5606 1 9 . 1 1 134 134 ASP H H 134 8.282 8.282 8.544 -0.263 18262 5607 1 9 . 1 1 135 135 VAL N N 135 119.922 119.922 118.474 1.448 18262 5608 1 9 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.426 -0.229 18262 5609 1 9 . 1 1 135 135 VAL CA C 135 62.327 62.327 62.808 -0.481 18262 5610 1 9 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.486 0.228 18262 5611 1 9 . 1 1 135 135 VAL H H 135 8.080 8.080 8.008 0.072 18262 5612 1 9 . 1 1 136 136 SER N N 136 119.994 119.994 117.791 2.203 18262 5613 1 9 . 1 1 136 136 SER HA H 136 4.459 4.459 4.464 -0.005 18262 5614 1 9 . 1 1 136 136 SER CA C 136 58.412 58.412 59.288 -0.876 18262 5615 1 9 . 1 1 136 136 SER CB C 136 64.068 64.068 62.906 1.162 18262 5616 1 9 . 1 1 136 136 SER H H 136 8.397 8.397 8.583 -0.186 18262 5617 1 10 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.645 0.625 18262 5618 1 10 . 1 1 4 4 ASN N N 4 124.122 124.122 123.489 0.633 18262 5619 1 10 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.320 2.507 18262 5620 1 10 . 1 1 4 4 ASN H H 4 7.979 7.979 8.502 -0.523 18262 5621 1 10 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.908 -0.216 18262 5622 1 10 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.372 0.696 18262 5623 1 10 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.210 0.892 18262 5624 1 10 . 1 1 7 7 THR N N 7 115.462 115.462 115.495 -0.033 18262 5625 1 10 . 1 1 7 7 THR HA H 7 4.312 4.312 4.134 0.178 18262 5626 1 10 . 1 1 7 7 THR CA C 7 62.316 62.316 63.941 -1.625 18262 5627 1 10 . 1 1 7 7 THR CB C 7 69.849 69.849 69.049 0.800 18262 5628 1 10 . 1 1 7 7 THR H H 7 8.132 8.132 7.761 0.371 18262 5629 1 10 . 1 1 8 8 THR N N 8 115.752 115.752 109.558 6.194 18262 5630 1 10 . 1 1 8 8 THR HA H 8 4.164 4.164 4.067 0.097 18262 5631 1 10 . 1 1 8 8 THR CA C 8 58.419 58.419 58.492 -0.074 18262 5632 1 10 . 1 1 8 8 THR CB C 8 69.385 69.385 69.912 -0.527 18262 5633 1 10 . 1 1 8 8 THR H H 8 7.981 7.981 7.265 0.716 18262 5634 1 10 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.835 0.117 18262 5635 1 10 . 1 1 9 9 PRO CA C 9 63.035 63.035 62.926 0.109 18262 5636 1 10 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.001 0.658 18262 5637 1 10 . 1 1 10 10 TRP N N 10 111.703 111.703 114.707 -3.004 18262 5638 1 10 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.695 0.201 18262 5639 1 10 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.824 -1.355 18262 5640 1 10 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.040 2.206 18262 5641 1 10 . 1 1 10 10 TRP H H 10 6.710 6.710 7.071 -0.361 18262 5642 1 10 . 1 1 11 11 THR N N 11 106.459 106.459 110.996 -4.537 18262 5643 1 10 . 1 1 11 11 THR HA H 11 3.893 3.893 4.211 -0.318 18262 5644 1 10 . 1 1 11 11 THR CA C 11 64.050 64.050 63.624 0.426 18262 5645 1 10 . 1 1 11 11 THR CB C 11 69.312 69.312 68.938 0.374 18262 5646 1 10 . 1 1 11 11 THR H H 11 7.197 7.197 7.347 -0.150 18262 5647 1 10 . 1 1 12 12 ASN N N 12 116.465 116.465 119.411 -2.946 18262 5648 1 10 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.124 -0.016 18262 5649 1 10 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.352 0.973 18262 5650 1 10 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.438 0.191 18262 5651 1 10 . 1 1 12 12 ASN H H 12 7.285 7.285 7.506 -0.221 18262 5652 1 10 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.363 -0.164 18262 5653 1 10 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.661 -0.150 18262 5654 1 10 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.101 0.451 18262 5655 1 10 . 1 1 14 14 GLY N N 14 109.155 109.155 105.171 3.984 18262 5656 1 10 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.021 0.133 18262 5657 1 10 . 1 1 14 14 GLY H H 14 8.364 8.364 8.167 0.197 18262 5658 1 10 . 1 1 15 15 LEU N N 15 124.654 124.654 123.039 1.615 18262 5659 1 10 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.106 0.231 18262 5660 1 10 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.152 0.395 18262 5661 1 10 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.888 -0.218 18262 5662 1 10 . 1 1 15 15 LEU H H 15 7.910 7.910 7.620 0.290 18262 5663 1 10 . 1 1 16 16 ALA N N 16 121.271 121.271 122.796 -1.525 18262 5664 1 10 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.095 -0.091 18262 5665 1 10 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.364 1.066 18262 5666 1 10 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.349 1.104 18262 5667 1 10 . 1 1 16 16 ALA H H 16 8.440 8.440 8.572 -0.132 18262 5668 1 10 . 1 1 17 17 GLU N N 17 117.125 117.125 119.285 -2.160 18262 5669 1 10 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.967 -0.006 18262 5670 1 10 . 1 1 17 17 GLU CA C 17 59.613 59.613 60.004 -0.391 18262 5671 1 10 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.770 0.232 18262 5672 1 10 . 1 1 17 17 GLU H H 17 7.971 7.971 8.466 -0.495 18262 5673 1 10 . 1 1 18 18 ASN N N 18 118.526 118.526 118.174 0.352 18262 5674 1 10 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.503 0.040 18262 5675 1 10 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.841 -0.545 18262 5676 1 10 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.721 -0.399 18262 5677 1 10 . 1 1 18 18 ASN H H 18 8.071 8.071 7.849 0.222 18262 5678 1 10 . 1 1 19 19 PHE N N 19 122.197 122.197 123.037 -0.840 18262 5679 1 10 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.231 -0.356 18262 5680 1 10 . 1 1 19 19 PHE CA C 19 62.300 62.300 62.022 0.278 18262 5681 1 10 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.181 0.318 18262 5682 1 10 . 1 1 19 19 PHE H H 19 9.658 9.658 9.094 0.564 18262 5683 1 10 . 1 1 20 20 MET N N 20 118.488 118.488 118.116 0.372 18262 5684 1 10 . 1 1 20 20 MET HA H 20 4.432 4.432 4.001 0.431 18262 5685 1 10 . 1 1 20 20 MET CA C 20 57.732 57.732 57.863 -0.131 18262 5686 1 10 . 1 1 20 20 MET CB C 20 31.999 31.999 31.371 0.628 18262 5687 1 10 . 1 1 20 20 MET H H 20 8.874 8.874 8.619 0.255 18262 5688 1 10 . 1 1 21 21 ASN N N 21 118.434 118.434 118.220 0.214 18262 5689 1 10 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.448 0.091 18262 5690 1 10 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.127 0.141 18262 5691 1 10 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.516 -0.530 18262 5692 1 10 . 1 1 21 21 ASN H H 21 8.468 8.468 8.458 0.010 18262 5693 1 10 . 1 1 22 22 SER N N 22 116.181 116.181 116.710 -0.529 18262 5694 1 10 . 1 1 22 22 SER HA H 22 4.193 4.193 4.220 -0.027 18262 5695 1 10 . 1 1 22 22 SER CA C 22 62.195 62.195 61.815 0.380 18262 5696 1 10 . 1 1 22 22 SER CB C 22 62.997 62.997 63.279 -0.282 18262 5697 1 10 . 1 1 22 22 SER H H 22 7.936 7.936 7.703 0.233 18262 5698 1 10 . 1 1 23 23 PHE N N 23 125.045 125.045 124.501 0.544 18262 5699 1 10 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.071 -0.057 18262 5700 1 10 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.706 -0.243 18262 5701 1 10 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.766 0.204 18262 5702 1 10 . 1 1 23 23 PHE H H 23 9.054 9.054 8.264 0.790 18262 5703 1 10 . 1 1 24 24 MET N N 24 117.336 117.336 116.333 1.003 18262 5704 1 10 . 1 1 24 24 MET HA H 24 4.029 4.029 3.473 0.556 18262 5705 1 10 . 1 1 24 24 MET CA C 24 56.117 56.117 59.046 -2.929 18262 5706 1 10 . 1 1 24 24 MET CB C 24 30.378 30.378 31.781 -1.403 18262 5707 1 10 . 1 1 24 24 MET H H 24 8.314 8.314 8.634 -0.320 18262 5708 1 10 . 1 1 25 25 GLN N N 25 120.286 120.286 118.525 1.761 18262 5709 1 10 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.090 -0.108 18262 5710 1 10 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.311 0.895 18262 5711 1 10 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.172 0.132 18262 5712 1 10 . 1 1 25 25 GLN H H 25 8.044 8.044 7.649 0.396 18262 5713 1 10 . 1 1 26 26 GLY N N 26 107.817 107.817 107.680 0.137 18262 5714 1 10 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.329 0.689 18262 5715 1 10 . 1 1 26 26 GLY H H 26 8.101 8.101 7.983 0.118 18262 5716 1 10 . 1 1 27 27 LEU N N 27 122.926 122.926 122.537 0.389 18262 5717 1 10 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.999 -0.213 18262 5718 1 10 . 1 1 27 27 LEU CA C 27 57.394 57.394 57.000 0.394 18262 5719 1 10 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.583 0.525 18262 5720 1 10 . 1 1 27 27 LEU H H 27 8.391 8.391 8.191 0.200 18262 5721 1 10 . 1 1 28 28 SER N N 28 109.497 109.497 112.650 -3.153 18262 5722 1 10 . 1 1 28 28 SER HA H 28 4.150 4.150 4.182 -0.032 18262 5723 1 10 . 1 1 28 28 SER CA C 28 61.223 61.223 60.856 0.367 18262 5724 1 10 . 1 1 28 28 SER CB C 28 63.390 63.390 62.928 0.462 18262 5725 1 10 . 1 1 28 28 SER H H 28 7.519 7.519 7.682 -0.163 18262 5726 1 10 . 1 1 29 29 SER N N 29 114.590 114.590 114.359 0.231 18262 5727 1 10 . 1 1 29 29 SER HA H 29 4.739 4.739 4.461 0.278 18262 5728 1 10 . 1 1 29 29 SER CA C 29 58.035 58.035 58.786 -0.751 18262 5729 1 10 . 1 1 29 29 SER CB C 29 64.626 64.626 63.789 0.837 18262 5730 1 10 . 1 1 29 29 SER H H 29 7.451 7.451 7.417 0.034 18262 5731 1 10 . 1 1 30 30 MET N N 30 122.408 122.408 122.495 -0.087 18262 5732 1 10 . 1 1 30 30 MET HA H 30 4.946 4.946 4.800 0.146 18262 5733 1 10 . 1 1 30 30 MET CA C 30 53.633 53.633 53.225 0.408 18262 5734 1 10 . 1 1 30 30 MET CB C 30 32.300 32.300 32.603 -0.303 18262 5735 1 10 . 1 1 30 30 MET H H 30 7.659 7.659 7.571 0.088 18262 5736 1 10 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.529 0.139 18262 5737 1 10 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.038 -0.088 18262 5738 1 10 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.637 0.175 18262 5739 1 10 . 1 1 32 32 GLY N N 32 106.245 106.245 107.276 -1.031 18262 5740 1 10 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.925 0.867 18262 5741 1 10 . 1 1 32 32 GLY H H 32 8.407 8.407 8.879 -0.472 18262 5742 1 10 . 1 1 33 33 PHE N N 33 116.330 116.330 121.321 -4.991 18262 5743 1 10 . 1 1 33 33 PHE HA H 33 5.157 5.157 5.042 0.115 18262 5744 1 10 . 1 1 33 33 PHE CA C 33 56.933 56.933 56.806 0.127 18262 5745 1 10 . 1 1 33 33 PHE CB C 33 42.112 42.112 42.377 -0.265 18262 5746 1 10 . 1 1 33 33 PHE H H 33 7.865 7.865 7.408 0.457 18262 5747 1 10 . 1 1 34 34 THR N N 34 113.680 113.680 114.497 -0.817 18262 5748 1 10 . 1 1 34 34 THR HA H 34 4.544 4.544 4.667 -0.123 18262 5749 1 10 . 1 1 34 34 THR CA C 34 60.409 60.409 59.818 0.591 18262 5750 1 10 . 1 1 34 34 THR CB C 34 70.714 70.714 71.058 -0.344 18262 5751 1 10 . 1 1 34 34 THR H H 34 8.895 8.895 8.167 0.728 18262 5752 1 10 . 1 1 35 35 ALA N N 35 123.074 123.074 124.983 -1.909 18262 5753 1 10 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.069 0.016 18262 5754 1 10 . 1 1 35 35 ALA CA C 35 55.897 55.897 54.999 0.898 18262 5755 1 10 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.341 -0.173 18262 5756 1 10 . 1 1 35 35 ALA H H 35 8.880 8.880 8.701 0.179 18262 5757 1 10 . 1 1 36 36 SER N N 36 112.915 112.915 113.121 -0.206 18262 5758 1 10 . 1 1 36 36 SER HA H 36 4.273 4.273 4.098 0.175 18262 5759 1 10 . 1 1 36 36 SER CA C 36 61.473 61.473 61.565 -0.092 18262 5760 1 10 . 1 1 36 36 SER CB C 36 62.441 62.441 62.891 -0.450 18262 5761 1 10 . 1 1 36 36 SER H H 36 8.413 8.413 8.543 -0.130 18262 5762 1 10 . 1 1 37 37 GLN N N 37 121.627 121.627 120.835 0.792 18262 5763 1 10 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.307 -0.031 18262 5764 1 10 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.349 0.359 18262 5765 1 10 . 1 1 37 37 GLN CB C 37 29.193 29.193 29.285 -0.092 18262 5766 1 10 . 1 1 37 37 GLN H H 37 7.639 7.639 8.088 -0.449 18262 5767 1 10 . 1 1 38 38 LEU N N 38 119.757 119.757 120.234 -0.477 18262 5768 1 10 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.988 -0.161 18262 5769 1 10 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.584 1.415 18262 5770 1 10 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.200 0.826 18262 5771 1 10 . 1 1 38 38 LEU H H 38 8.351 8.351 8.140 0.211 18262 5772 1 10 . 1 1 39 39 ASP N N 39 122.097 122.097 120.270 1.827 18262 5773 1 10 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.238 0.198 18262 5774 1 10 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.469 -0.689 18262 5775 1 10 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.783 -0.411 18262 5776 1 10 . 1 1 39 39 ASP H H 39 7.962 7.962 8.272 -0.310 18262 5777 1 10 . 1 1 40 40 ASP N N 40 122.033 122.033 119.811 2.222 18262 5778 1 10 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.537 -0.047 18262 5779 1 10 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.420 1.470 18262 5780 1 10 . 1 1 40 40 ASP CB C 40 40.260 40.260 40.981 -0.721 18262 5781 1 10 . 1 1 40 40 ASP H H 40 8.052 8.052 7.653 0.399 18262 5782 1 10 . 1 1 41 41 MET N N 41 121.130 121.130 119.577 1.553 18262 5783 1 10 . 1 1 41 41 MET HA H 41 4.191 4.191 3.985 0.206 18262 5784 1 10 . 1 1 41 41 MET CA C 41 57.798 57.798 59.896 -2.098 18262 5785 1 10 . 1 1 41 41 MET CB C 41 31.529 31.529 32.280 -0.751 18262 5786 1 10 . 1 1 41 41 MET H H 41 8.708 8.708 7.685 1.023 18262 5787 1 10 . 1 1 42 42 SER N N 42 116.303 116.303 115.144 1.159 18262 5788 1 10 . 1 1 42 42 SER HA H 42 4.301 4.301 4.136 0.165 18262 5789 1 10 . 1 1 42 42 SER CA C 42 62.145 62.145 61.901 0.244 18262 5790 1 10 . 1 1 42 42 SER CB C 42 62.835 62.835 62.929 -0.094 18262 5791 1 10 . 1 1 42 42 SER H H 42 8.364 8.364 8.440 -0.076 18262 5792 1 10 . 1 1 43 43 THR N N 43 119.136 119.136 119.243 -0.107 18262 5793 1 10 . 1 1 43 43 THR HA H 43 4.051 4.051 4.063 -0.012 18262 5794 1 10 . 1 1 43 43 THR CA C 43 66.673 66.673 67.165 -0.492 18262 5795 1 10 . 1 1 43 43 THR CB C 43 68.635 68.635 68.666 -0.031 18262 5796 1 10 . 1 1 43 43 THR H H 43 7.944 7.944 7.450 0.494 18262 5797 1 10 . 1 1 44 44 ILE N N 44 122.789 122.789 122.036 0.753 18262 5798 1 10 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.597 0.351 18262 5799 1 10 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.846 -1.199 18262 5800 1 10 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.485 0.562 18262 5801 1 10 . 1 1 44 44 ILE H H 44 7.856 7.856 8.422 -0.566 18262 5802 1 10 . 1 1 45 45 ALA N N 45 124.903 124.903 122.141 2.762 18262 5803 1 10 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.106 0.028 18262 5804 1 10 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.214 0.865 18262 5805 1 10 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.531 0.447 18262 5806 1 10 . 1 1 45 45 ALA H H 45 8.868 8.868 8.539 0.329 18262 5807 1 10 . 1 1 46 46 GLN N N 46 116.435 116.435 117.439 -1.004 18262 5808 1 10 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.066 -0.002 18262 5809 1 10 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.610 0.363 18262 5810 1 10 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.271 0.049 18262 5811 1 10 . 1 1 46 46 GLN H H 46 8.253 8.253 8.421 -0.168 18262 5812 1 10 . 1 1 47 47 SER N N 47 116.211 116.211 115.886 0.325 18262 5813 1 10 . 1 1 47 47 SER HA H 47 4.249 4.249 4.389 -0.140 18262 5814 1 10 . 1 1 47 47 SER CA C 47 61.766 61.766 60.233 1.533 18262 5815 1 10 . 1 1 47 47 SER CB C 47 62.874 62.874 63.184 -0.310 18262 5816 1 10 . 1 1 47 47 SER H H 47 8.242 8.242 8.084 0.158 18262 5817 1 10 . 1 1 48 48 MET N N 48 122.179 122.179 123.601 -1.422 18262 5818 1 10 . 1 1 48 48 MET HA H 48 4.109 4.109 4.144 -0.035 18262 5819 1 10 . 1 1 48 48 MET CA C 48 57.695 57.695 57.866 -0.171 18262 5820 1 10 . 1 1 48 48 MET CB C 48 31.370 31.370 31.927 -0.556 18262 5821 1 10 . 1 1 48 48 MET H H 48 8.198 8.198 8.351 -0.153 18262 5822 1 10 . 1 1 49 49 VAL N N 49 118.918 118.918 118.170 0.748 18262 5823 1 10 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.644 -0.365 18262 5824 1 10 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.743 1.194 18262 5825 1 10 . 1 1 49 49 VAL CB C 49 31.553 31.553 30.693 0.860 18262 5826 1 10 . 1 1 49 49 VAL H H 49 7.791 7.791 7.776 0.015 18262 5827 1 10 . 1 1 50 50 GLN N N 50 118.407 118.407 118.463 -0.056 18262 5828 1 10 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.013 0.079 18262 5829 1 10 . 1 1 50 50 GLN CA C 50 59.126 59.126 58.195 0.931 18262 5830 1 10 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.706 0.497 18262 5831 1 10 . 1 1 50 50 GLN H H 50 8.206 8.206 7.812 0.394 18262 5832 1 10 . 1 1 51 51 SER N N 51 117.680 117.680 116.356 1.324 18262 5833 1 10 . 1 1 51 51 SER HA H 51 4.209 4.209 4.186 0.023 18262 5834 1 10 . 1 1 51 51 SER CA C 51 62.766 62.766 62.151 0.615 18262 5835 1 10 . 1 1 51 51 SER CB C 51 63.014 63.014 62.737 0.277 18262 5836 1 10 . 1 1 51 51 SER H H 51 8.394 8.394 7.931 0.463 18262 5837 1 10 . 1 1 52 52 ILE N N 52 123.233 123.233 121.581 1.652 18262 5838 1 10 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.722 -0.159 18262 5839 1 10 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.487 0.394 18262 5840 1 10 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.452 0.419 18262 5841 1 10 . 1 1 52 52 ILE H H 52 8.135 8.135 7.228 0.907 18262 5842 1 10 . 1 1 53 53 GLN N N 53 119.911 119.911 120.354 -0.443 18262 5843 1 10 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.999 -0.074 18262 5844 1 10 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.161 0.410 18262 5845 1 10 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.302 -0.369 18262 5846 1 10 . 1 1 53 53 GLN H H 53 8.600 8.600 8.422 0.178 18262 5847 1 10 . 1 1 54 54 SER N N 54 115.414 115.414 114.320 1.094 18262 5848 1 10 . 1 1 54 54 SER HA H 54 4.308 4.308 4.258 0.050 18262 5849 1 10 . 1 1 54 54 SER CA C 54 61.468 61.468 60.553 0.915 18262 5850 1 10 . 1 1 54 54 SER CB C 54 62.950 62.950 63.220 -0.270 18262 5851 1 10 . 1 1 54 54 SER H H 54 8.304 8.304 7.933 0.371 18262 5852 1 10 . 1 1 55 55 LEU N N 55 121.576 121.576 122.050 -0.474 18262 5853 1 10 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.187 -0.122 18262 5854 1 10 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.399 0.314 18262 5855 1 10 . 1 1 55 55 LEU CB C 55 42.353 42.353 42.176 0.177 18262 5856 1 10 . 1 1 55 55 LEU H H 55 7.881 7.881 7.338 0.543 18262 5857 1 10 . 1 1 56 56 ALA N N 56 121.244 121.244 119.750 1.494 18262 5858 1 10 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.393 -0.161 18262 5859 1 10 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.362 1.039 18262 5860 1 10 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.433 -0.171 18262 5861 1 10 . 1 1 56 56 ALA H H 56 8.007 8.007 8.487 -0.480 18262 5862 1 10 . 1 1 57 57 ALA N N 57 121.370 121.370 120.793 0.577 18262 5863 1 10 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.069 0.144 18262 5864 1 10 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.284 0.232 18262 5865 1 10 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.843 -0.303 18262 5866 1 10 . 1 1 57 57 ALA H H 57 8.026 8.026 7.819 0.207 18262 5867 1 10 . 1 1 58 58 GLN N N 58 114.464 114.464 115.850 -1.386 18262 5868 1 10 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.354 -0.010 18262 5869 1 10 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.225 0.802 18262 5870 1 10 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.451 0.236 18262 5871 1 10 . 1 1 58 58 GLN H H 58 7.759 7.759 7.734 0.025 18262 5872 1 10 . 1 1 59 59 GLY N N 59 108.318 108.318 109.438 -1.120 18262 5873 1 10 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.656 1.480 18262 5874 1 10 . 1 1 59 59 GLY H H 59 7.905 7.905 7.769 0.136 18262 5875 1 10 . 1 1 60 60 ARG N N 60 118.325 118.325 122.089 -3.764 18262 5876 1 10 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.689 -0.163 18262 5877 1 10 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.875 -0.147 18262 5878 1 10 . 1 1 60 60 ARG CB C 60 31.690 31.690 30.764 0.926 18262 5879 1 10 . 1 1 60 60 ARG H H 60 8.097 8.097 8.150 -0.053 18262 5880 1 10 . 1 1 61 61 THR N N 61 116.640 116.640 114.491 2.149 18262 5881 1 10 . 1 1 61 61 THR HA H 61 4.782 4.782 4.410 0.372 18262 5882 1 10 . 1 1 61 61 THR CA C 61 63.339 63.339 62.178 1.161 18262 5883 1 10 . 1 1 61 61 THR CB C 61 68.819 68.819 69.838 -1.019 18262 5884 1 10 . 1 1 61 61 THR H H 61 8.038 8.038 8.435 -0.397 18262 5885 1 10 . 1 1 62 62 SER N N 62 119.882 119.882 115.984 3.898 18262 5886 1 10 . 1 1 62 62 SER HA H 62 4.899 4.899 4.348 0.551 18262 5887 1 10 . 1 1 62 62 SER CA C 62 56.263 56.263 58.614 -2.351 18262 5888 1 10 . 1 1 62 62 SER CB C 62 63.827 63.827 62.631 1.196 18262 5889 1 10 . 1 1 62 62 SER H H 62 7.792 7.792 7.885 -0.093 18262 5890 1 10 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.135 0.164 18262 5891 1 10 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.444 0.372 18262 5892 1 10 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.930 0.287 18262 5893 1 10 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.555 -0.008 18262 5894 1 10 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.575 0.619 18262 5895 1 10 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.876 0.194 18262 5896 1 10 . 1 1 65 65 LYS N N 65 121.063 121.063 118.636 2.427 18262 5897 1 10 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.195 -0.013 18262 5898 1 10 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.400 0.152 18262 5899 1 10 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.678 0.029 18262 5900 1 10 . 1 1 65 65 LYS H H 65 7.762 7.762 8.007 -0.245 18262 5901 1 10 . 1 1 66 66 LEU N N 66 119.082 119.082 118.509 0.573 18262 5902 1 10 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.304 -0.241 18262 5903 1 10 . 1 1 66 66 LEU CA C 66 57.998 57.998 56.272 1.726 18262 5904 1 10 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.554 0.907 18262 5905 1 10 . 1 1 66 66 LEU H H 66 7.934 7.934 7.755 0.179 18262 5906 1 10 . 1 1 67 67 GLN N N 67 119.220 119.220 116.229 2.991 18262 5907 1 10 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.337 -0.130 18262 5908 1 10 . 1 1 67 67 GLN CA C 67 59.087 59.087 57.469 1.617 18262 5909 1 10 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.682 -0.467 18262 5910 1 10 . 1 1 67 67 GLN H H 67 8.201 8.201 8.026 0.175 18262 5911 1 10 . 1 1 68 68 ALA N N 68 121.749 121.749 121.512 0.237 18262 5912 1 10 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.439 -0.260 18262 5913 1 10 . 1 1 68 68 ALA CA C 68 55.275 55.275 53.785 1.490 18262 5914 1 10 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.572 -2.467 18262 5915 1 10 . 1 1 68 68 ALA H H 68 7.739 7.739 7.826 -0.087 18262 5916 1 10 . 1 1 69 69 LEU N N 69 120.591 120.591 119.985 0.606 18262 5917 1 10 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.855 0.140 18262 5918 1 10 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.740 0.234 18262 5919 1 10 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.231 0.107 18262 5920 1 10 . 1 1 69 69 LEU H H 69 7.888 7.888 8.668 -0.780 18262 5921 1 10 . 1 1 70 70 ASN N N 70 119.586 119.586 118.733 0.853 18262 5922 1 10 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.004 -0.473 18262 5923 1 10 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.380 0.640 18262 5924 1 10 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.064 0.784 18262 5925 1 10 . 1 1 70 70 ASN H H 70 8.356 8.356 8.014 0.342 18262 5926 1 10 . 1 1 71 71 MET N N 71 117.354 117.354 115.677 1.677 18262 5927 1 10 . 1 1 71 71 MET HA H 71 4.271 4.271 4.614 -0.343 18262 5928 1 10 . 1 1 71 71 MET CA C 71 59.088 59.088 57.808 1.280 18262 5929 1 10 . 1 1 71 71 MET CB C 71 32.746 32.746 32.016 0.730 18262 5930 1 10 . 1 1 71 71 MET H H 71 8.207 8.207 7.858 0.349 18262 5931 1 10 . 1 1 72 72 ALA N N 72 123.354 123.354 124.093 -0.739 18262 5932 1 10 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.942 0.132 18262 5933 1 10 . 1 1 72 72 ALA CA C 72 55.127 55.127 54.964 0.163 18262 5934 1 10 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.122 0.035 18262 5935 1 10 . 1 1 72 72 ALA H H 72 8.075 8.075 7.668 0.407 18262 5936 1 10 . 1 1 73 73 PHE N N 73 120.968 120.968 117.072 3.896 18262 5937 1 10 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.241 0.277 18262 5938 1 10 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.663 -0.231 18262 5939 1 10 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.167 1.430 18262 5940 1 10 . 1 1 73 73 PHE H H 73 8.546 8.546 7.987 0.559 18262 5941 1 10 . 1 1 74 74 ALA N N 74 119.865 119.865 123.067 -3.202 18262 5942 1 10 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.673 0.068 18262 5943 1 10 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.784 0.610 18262 5944 1 10 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.509 2.900 18262 5945 1 10 . 1 1 74 74 ALA H H 74 8.593 8.593 7.265 1.328 18262 5946 1 10 . 1 1 75 75 SER N N 75 112.870 112.870 113.676 -0.806 18262 5947 1 10 . 1 1 75 75 SER HA H 75 3.581 3.581 4.176 -0.595 18262 5948 1 10 . 1 1 75 75 SER CA C 75 61.879 61.879 60.779 1.100 18262 5949 1 10 . 1 1 75 75 SER CB C 75 62.010 62.010 62.029 -0.020 18262 5950 1 10 . 1 1 75 75 SER H H 75 8.501 8.501 7.962 0.539 18262 5951 1 10 . 1 1 76 76 SER N N 76 118.492 118.492 118.031 0.461 18262 5952 1 10 . 1 1 76 76 SER HA H 76 4.301 4.301 4.283 0.018 18262 5953 1 10 . 1 1 76 76 SER CA C 76 62.748 62.748 61.033 1.715 18262 5954 1 10 . 1 1 76 76 SER CB C 76 63.013 63.013 63.008 0.005 18262 5955 1 10 . 1 1 76 76 SER H H 76 8.152 8.152 7.605 0.547 18262 5956 1 10 . 1 1 77 77 MET N N 77 120.358 120.358 120.831 -0.473 18262 5957 1 10 . 1 1 77 77 MET HA H 77 3.999 3.999 4.325 -0.326 18262 5958 1 10 . 1 1 77 77 MET CA C 77 60.024 60.024 58.898 1.126 18262 5959 1 10 . 1 1 77 77 MET CB C 77 34.657 34.657 32.611 2.046 18262 5960 1 10 . 1 1 77 77 MET H H 77 8.130 8.130 8.312 -0.182 18262 5961 1 10 . 1 1 78 78 ALA N N 78 121.547 121.547 122.905 -1.358 18262 5962 1 10 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.026 -0.100 18262 5963 1 10 . 1 1 78 78 ALA CA C 78 55.596 55.596 56.070 -0.474 18262 5964 1 10 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.929 2.470 18262 5965 1 10 . 1 1 78 78 ALA H H 78 8.534 8.534 8.246 0.288 18262 5966 1 10 . 1 1 79 79 GLU N N 79 116.654 116.654 117.822 -1.168 18262 5967 1 10 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.098 -0.118 18262 5968 1 10 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.838 0.564 18262 5969 1 10 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.186 0.637 18262 5970 1 10 . 1 1 79 79 GLU H H 79 7.557 7.557 8.069 -0.512 18262 5971 1 10 . 1 1 80 80 ILE N N 80 118.293 118.293 118.815 -0.522 18262 5972 1 10 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.025 -0.067 18262 5973 1 10 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.503 0.282 18262 5974 1 10 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.048 0.259 18262 5975 1 10 . 1 1 80 80 ILE H H 80 7.239 7.239 7.196 0.043 18262 5976 1 10 . 1 1 81 81 ALA N N 81 121.511 121.511 123.313 -1.802 18262 5977 1 10 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.088 -0.128 18262 5978 1 10 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.777 -0.039 18262 5979 1 10 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.613 -0.656 18262 5980 1 10 . 1 1 81 81 ALA H H 81 8.595 8.595 8.840 -0.245 18262 5981 1 10 . 1 1 82 82 ALA N N 82 116.183 116.183 117.321 -1.138 18262 5982 1 10 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.352 -0.064 18262 5983 1 10 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.260 1.341 18262 5984 1 10 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.968 0.426 18262 5985 1 10 . 1 1 82 82 ALA H H 82 8.001 8.001 8.100 -0.099 18262 5986 1 10 . 1 1 83 83 SER N N 83 113.212 113.212 114.711 -1.499 18262 5987 1 10 . 1 1 83 83 SER HA H 83 4.319 4.319 4.493 -0.174 18262 5988 1 10 . 1 1 83 83 SER CA C 83 59.243 59.243 57.068 2.175 18262 5989 1 10 . 1 1 83 83 SER CB C 83 63.971 63.971 63.648 0.323 18262 5990 1 10 . 1 1 83 83 SER H H 83 7.391 7.391 7.691 -0.300 18262 5991 1 10 . 1 1 84 84 GLU N N 84 123.385 123.385 130.271 -6.886 18262 5992 1 10 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.757 -0.326 18262 5993 1 10 . 1 1 84 84 GLU CA C 84 56.656 56.656 55.739 0.917 18262 5994 1 10 . 1 1 84 84 GLU CB C 84 30.576 30.576 28.910 1.666 18262 5995 1 10 . 1 1 84 84 GLU H H 84 8.421 8.421 9.011 -0.590 18262 5996 1 10 . 1 1 85 85 GLU N N 85 121.674 121.674 121.751 -0.077 18262 5997 1 10 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.290 -0.016 18262 5998 1 10 . 1 1 85 85 GLU CA C 85 57.127 57.127 57.211 -0.084 18262 5999 1 10 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.337 -0.146 18262 6000 1 10 . 1 1 85 85 GLU H H 85 8.407 8.407 7.935 0.472 18262 6001 1 10 . 1 1 86 86 GLY N N 86 110.617 110.617 107.340 3.277 18262 6002 1 10 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.782 0.941 18262 6003 1 10 . 1 1 86 86 GLY H H 86 8.564 8.564 7.858 0.706 18262 6004 1 10 . 1 1 87 87 GLY N N 87 108.562 108.562 107.217 1.345 18262 6005 1 10 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.076 0.390 18262 6006 1 10 . 1 1 87 87 GLY H H 87 8.257 8.257 7.399 0.858 18262 6007 1 10 . 1 1 88 88 GLY N N 88 107.890 107.890 110.704 -2.814 18262 6008 1 10 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.584 0.299 18262 6009 1 10 . 1 1 88 88 GLY H H 88 8.100 8.100 8.543 -0.443 18262 6010 1 10 . 1 1 89 89 SER N N 89 115.889 115.889 116.404 -0.515 18262 6011 1 10 . 1 1 89 89 SER HA H 89 4.594 4.594 4.249 0.345 18262 6012 1 10 . 1 1 89 89 SER CA C 89 57.382 57.382 58.744 -1.362 18262 6013 1 10 . 1 1 89 89 SER CB C 89 65.271 65.271 63.704 1.567 18262 6014 1 10 . 1 1 89 89 SER H H 89 8.474 8.474 8.174 0.300 18262 6015 1 10 . 1 1 90 90 LEU N N 90 124.688 124.688 126.922 -2.234 18262 6016 1 10 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.097 0.027 18262 6017 1 10 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.781 1.779 18262 6018 1 10 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.010 -0.592 18262 6019 1 10 . 1 1 90 90 LEU H H 90 8.867 8.867 8.639 0.228 18262 6020 1 10 . 1 1 91 91 SER N N 91 114.045 114.045 115.490 -1.445 18262 6021 1 10 . 1 1 91 91 SER CA C 91 61.331 61.331 61.536 -0.205 18262 6022 1 10 . 1 1 91 91 SER CB C 91 62.080 62.080 63.089 -1.009 18262 6023 1 10 . 1 1 91 91 SER H H 91 8.501 8.501 8.189 0.312 18262 6024 1 10 . 1 1 92 92 THR N N 92 121.036 121.036 117.679 3.357 18262 6025 1 10 . 1 1 92 92 THR HA H 92 4.006 4.006 4.081 -0.075 18262 6026 1 10 . 1 1 92 92 THR CA C 92 66.537 66.537 66.385 0.152 18262 6027 1 10 . 1 1 92 92 THR CB C 92 68.326 68.326 68.546 -0.220 18262 6028 1 10 . 1 1 92 92 THR H H 92 7.818 7.818 7.616 0.202 18262 6029 1 10 . 1 1 93 93 LYS N N 93 120.426 120.426 121.836 -1.410 18262 6030 1 10 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.976 -0.187 18262 6031 1 10 . 1 1 93 93 LYS CA C 93 61.114 61.114 60.418 0.696 18262 6032 1 10 . 1 1 93 93 LYS CB C 93 33.469 33.469 32.022 1.447 18262 6033 1 10 . 1 1 93 93 LYS H H 93 8.146 8.146 7.815 0.331 18262 6034 1 10 . 1 1 94 94 THR N N 94 111.775 111.775 113.359 -1.584 18262 6035 1 10 . 1 1 94 94 THR HA H 94 3.933 3.933 4.096 -0.163 18262 6036 1 10 . 1 1 94 94 THR CA C 94 67.228 67.228 66.563 0.665 18262 6037 1 10 . 1 1 94 94 THR CB C 94 68.083 68.083 67.955 0.128 18262 6038 1 10 . 1 1 94 94 THR H H 94 8.881 8.881 8.145 0.736 18262 6039 1 10 . 1 1 95 95 SER N N 95 119.066 119.066 119.384 -0.318 18262 6040 1 10 . 1 1 95 95 SER HA H 95 4.397 4.397 4.111 0.286 18262 6041 1 10 . 1 1 95 95 SER CA C 95 62.060 62.060 62.198 -0.138 18262 6042 1 10 . 1 1 95 95 SER CB C 95 62.693 62.693 62.833 -0.140 18262 6043 1 10 . 1 1 95 95 SER H H 95 8.134 8.134 7.679 0.455 18262 6044 1 10 . 1 1 96 96 SER N N 96 121.588 121.588 119.357 2.231 18262 6045 1 10 . 1 1 96 96 SER HA H 96 4.462 4.462 4.289 0.173 18262 6046 1 10 . 1 1 96 96 SER CA C 96 62.623 62.623 61.835 0.788 18262 6047 1 10 . 1 1 96 96 SER CB C 96 62.866 62.866 63.482 -0.616 18262 6048 1 10 . 1 1 96 96 SER H H 96 8.642 8.642 8.020 0.622 18262 6049 1 10 . 1 1 97 97 ILE N N 97 122.467 122.467 123.012 -0.545 18262 6050 1 10 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.826 -0.029 18262 6051 1 10 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.800 1.034 18262 6052 1 10 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.856 0.859 18262 6053 1 10 . 1 1 97 97 ILE H H 97 8.482 8.482 8.468 0.014 18262 6054 1 10 . 1 1 98 98 ALA N N 98 122.100 122.100 122.166 -0.066 18262 6055 1 10 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.026 0.028 18262 6056 1 10 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.472 0.756 18262 6057 1 10 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.276 0.141 18262 6058 1 10 . 1 1 98 98 ALA H H 98 8.437 8.437 8.485 -0.048 18262 6059 1 10 . 1 1 99 99 SER N N 99 115.737 115.737 115.210 0.527 18262 6060 1 10 . 1 1 99 99 SER HA H 99 4.366 4.366 4.198 0.168 18262 6061 1 10 . 1 1 99 99 SER CA C 99 62.029 62.029 62.295 -0.266 18262 6062 1 10 . 1 1 99 99 SER CB C 99 63.230 63.230 63.053 0.177 18262 6063 1 10 . 1 1 99 99 SER H H 99 8.658 8.658 7.855 0.803 18262 6064 1 10 . 1 1 100 100 ALA N N 100 124.292 124.292 125.227 -0.935 18262 6065 1 10 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.981 0.264 18262 6066 1 10 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.377 0.014 18262 6067 1 10 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.420 0.072 18262 6068 1 10 . 1 1 100 100 ALA H H 100 8.976 8.976 8.395 0.581 18262 6069 1 10 . 1 1 101 101 MET N N 101 119.143 119.143 117.451 1.692 18262 6070 1 10 . 1 1 101 101 MET HA H 101 4.054 4.054 3.997 0.057 18262 6071 1 10 . 1 1 101 101 MET CA C 101 61.026 61.026 59.604 1.422 18262 6072 1 10 . 1 1 101 101 MET CB C 101 34.483 34.483 32.531 1.952 18262 6073 1 10 . 1 1 101 101 MET H H 101 9.063 9.063 8.113 0.950 18262 6074 1 10 . 1 1 102 102 SER N N 102 116.778 116.778 115.512 1.266 18262 6075 1 10 . 1 1 102 102 SER HA H 102 4.363 4.363 4.258 0.105 18262 6076 1 10 . 1 1 102 102 SER CA C 102 63.348 63.348 61.836 1.512 18262 6077 1 10 . 1 1 102 102 SER CB C 102 62.593 62.593 63.022 -0.429 18262 6078 1 10 . 1 1 102 102 SER H H 102 8.693 8.693 8.193 0.500 18262 6079 1 10 . 1 1 103 103 ASN N N 103 117.982 117.982 119.978 -1.996 18262 6080 1 10 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.546 -0.082 18262 6081 1 10 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.818 0.844 18262 6082 1 10 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.399 0.118 18262 6083 1 10 . 1 1 103 103 ASN H H 103 8.108 8.108 8.287 -0.179 18262 6084 1 10 . 1 1 104 104 ALA N N 104 122.272 122.272 122.772 -0.500 18262 6085 1 10 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.007 0.233 18262 6086 1 10 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.296 -0.453 18262 6087 1 10 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.401 -0.168 18262 6088 1 10 . 1 1 104 104 ALA H H 104 7.892 7.892 8.121 -0.229 18262 6089 1 10 . 1 1 105 105 PHE N N 105 119.096 119.096 118.020 1.076 18262 6090 1 10 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.631 -0.231 18262 6091 1 10 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.121 4.722 18262 6092 1 10 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.629 -0.142 18262 6093 1 10 . 1 1 105 105 PHE H H 105 8.580 8.580 8.251 0.329 18262 6094 1 10 . 1 1 106 106 LEU N N 106 121.540 121.540 119.523 2.017 18262 6095 1 10 . 1 1 106 106 LEU HA H 106 3.736 3.736 3.990 -0.254 18262 6096 1 10 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.806 1.349 18262 6097 1 10 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.782 -0.447 18262 6098 1 10 . 1 1 106 106 LEU H H 106 8.226 8.226 7.310 0.916 18262 6099 1 10 . 1 1 107 107 GLN N N 107 114.603 114.603 117.733 -3.130 18262 6100 1 10 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.159 0.031 18262 6101 1 10 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.239 -0.821 18262 6102 1 10 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.419 1.072 18262 6103 1 10 . 1 1 107 107 GLN H H 107 8.132 8.132 7.953 0.179 18262 6104 1 10 . 1 1 108 108 THR N N 108 108.290 108.290 111.298 -3.008 18262 6105 1 10 . 1 1 108 108 THR HA H 108 4.518 4.518 4.180 0.338 18262 6106 1 10 . 1 1 108 108 THR CA C 108 62.483 62.483 64.449 -1.966 18262 6107 1 10 . 1 1 108 108 THR CB C 108 70.390 70.390 68.978 1.412 18262 6108 1 10 . 1 1 108 108 THR H H 108 7.726 7.726 7.713 0.013 18262 6109 1 10 . 1 1 109 109 THR N N 109 113.407 113.407 112.508 0.899 18262 6110 1 10 . 1 1 109 109 THR HA H 109 4.586 4.586 4.194 0.392 18262 6111 1 10 . 1 1 109 109 THR CA C 109 62.325 62.325 61.777 0.548 18262 6112 1 10 . 1 1 109 109 THR CB C 109 70.696 70.696 69.491 1.205 18262 6113 1 10 . 1 1 109 109 THR H H 109 8.907 8.907 7.350 1.557 18262 6114 1 10 . 1 1 110 110 GLY N N 110 109.267 109.267 110.092 -0.825 18262 6115 1 10 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.375 0.193 18262 6116 1 10 . 1 1 110 110 GLY H H 110 8.361 8.361 8.025 0.336 18262 6117 1 10 . 1 1 111 111 VAL N N 111 119.375 119.375 121.695 -2.320 18262 6118 1 10 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.264 -0.009 18262 6119 1 10 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.815 0.067 18262 6120 1 10 . 1 1 111 111 VAL CB C 111 35.436 35.436 32.763 2.673 18262 6121 1 10 . 1 1 111 111 VAL H H 111 7.784 7.784 7.585 0.199 18262 6122 1 10 . 1 1 112 112 VAL N N 112 125.327 125.327 124.971 0.356 18262 6123 1 10 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.506 -1.294 18262 6124 1 10 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.728 3.751 18262 6125 1 10 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.118 -1.422 18262 6126 1 10 . 1 1 112 112 VAL H H 112 8.747 8.747 8.234 0.513 18262 6127 1 10 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.823 -0.321 18262 6128 1 10 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.071 -1.878 18262 6129 1 10 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.697 -1.575 18262 6130 1 10 . 1 1 114 114 GLN N N 114 124.067 124.067 128.802 -4.735 18262 6131 1 10 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.294 -0.357 18262 6132 1 10 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.046 -0.628 18262 6133 1 10 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.074 -0.527 18262 6134 1 10 . 1 1 114 114 GLN H H 114 8.394 8.394 8.877 -0.483 18262 6135 1 10 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.162 0.088 18262 6136 1 10 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.112 0.559 18262 6137 1 10 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.153 0.146 18262 6138 1 10 . 1 1 116 116 PHE N N 116 117.820 117.820 119.562 -1.742 18262 6139 1 10 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.102 0.100 18262 6140 1 10 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.566 -0.234 18262 6141 1 10 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.027 0.492 18262 6142 1 10 . 1 1 116 116 PHE H H 116 7.268 7.268 8.402 -1.134 18262 6143 1 10 . 1 1 117 117 ILE N N 117 119.434 119.434 119.237 0.197 18262 6144 1 10 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.293 0.241 18262 6145 1 10 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.320 0.427 18262 6146 1 10 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.551 0.644 18262 6147 1 10 . 1 1 117 117 ILE H H 117 7.641 7.641 7.842 -0.201 18262 6148 1 10 . 1 1 118 118 ASN N N 118 119.834 119.834 118.838 0.996 18262 6149 1 10 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.477 -0.164 18262 6150 1 10 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.621 0.080 18262 6151 1 10 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.915 -0.394 18262 6152 1 10 . 1 1 118 118 ASN H H 118 8.985 8.985 8.295 0.690 18262 6153 1 10 . 1 1 119 119 GLU N N 119 121.164 121.164 121.576 -0.412 18262 6154 1 10 . 1 1 119 119 GLU HA H 119 4.023 4.023 3.989 0.034 18262 6155 1 10 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.489 0.148 18262 6156 1 10 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.591 0.125 18262 6157 1 10 . 1 1 119 119 GLU H H 119 8.090 8.090 8.404 -0.314 18262 6158 1 10 . 1 1 120 120 ILE N N 120 117.906 117.906 119.047 -1.141 18262 6159 1 10 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.601 0.153 18262 6160 1 10 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.457 -1.489 18262 6161 1 10 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.641 -0.827 18262 6162 1 10 . 1 1 120 120 ILE H H 120 8.025 8.025 8.448 -0.423 18262 6163 1 10 . 1 1 121 121 THR N N 121 112.720 112.720 113.817 -1.097 18262 6164 1 10 . 1 1 121 121 THR HA H 121 3.767 3.767 3.898 -0.131 18262 6165 1 10 . 1 1 121 121 THR CA C 121 67.203 67.203 66.594 0.609 18262 6166 1 10 . 1 1 121 121 THR CB C 121 68.380 68.380 68.100 0.280 18262 6167 1 10 . 1 1 121 121 THR H H 121 8.665 8.665 7.919 0.746 18262 6168 1 10 . 1 1 122 122 GLN N N 122 123.165 123.165 121.397 1.768 18262 6169 1 10 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.119 -0.031 18262 6170 1 10 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.710 0.552 18262 6171 1 10 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.062 0.099 18262 6172 1 10 . 1 1 122 122 GLN H H 122 8.128 8.128 7.820 0.308 18262 6173 1 10 . 1 1 123 123 LEU N N 123 120.702 120.702 120.991 -0.289 18262 6174 1 10 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.579 0.344 18262 6175 1 10 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.027 0.091 18262 6176 1 10 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.585 1.405 18262 6177 1 10 . 1 1 123 123 LEU H H 123 8.173 8.173 8.323 -0.150 18262 6178 1 10 . 1 1 124 124 VAL N N 124 118.840 118.840 119.291 -0.451 18262 6179 1 10 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.859 -0.244 18262 6180 1 10 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.816 0.508 18262 6181 1 10 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.365 0.188 18262 6182 1 10 . 1 1 124 124 VAL H H 124 8.742 8.742 8.578 0.164 18262 6183 1 10 . 1 1 125 125 SER N N 125 112.613 112.613 114.418 -1.805 18262 6184 1 10 . 1 1 125 125 SER HA H 125 4.050 4.050 4.066 -0.016 18262 6185 1 10 . 1 1 125 125 SER CA C 125 62.568 62.568 61.856 0.712 18262 6186 1 10 . 1 1 125 125 SER CB C 125 62.960 62.960 63.000 -0.040 18262 6187 1 10 . 1 1 125 125 SER H H 125 7.883 7.883 7.988 -0.105 18262 6188 1 10 . 1 1 126 126 MET N N 126 120.939 120.939 121.835 -0.896 18262 6189 1 10 . 1 1 126 126 MET HA H 126 4.052 4.052 4.019 0.033 18262 6190 1 10 . 1 1 126 126 MET CA C 126 59.009 59.009 58.643 0.366 18262 6191 1 10 . 1 1 126 126 MET CB C 126 32.780 32.780 32.209 0.571 18262 6192 1 10 . 1 1 126 126 MET H H 126 8.091 8.091 7.797 0.294 18262 6193 1 10 . 1 1 127 127 PHE N N 127 118.732 118.732 117.438 1.294 18262 6194 1 10 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.279 0.186 18262 6195 1 10 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.867 0.729 18262 6196 1 10 . 1 1 127 127 PHE CB C 127 38.911 38.911 38.395 0.516 18262 6197 1 10 . 1 1 127 127 PHE H H 127 8.755 8.755 8.155 0.600 18262 6198 1 10 . 1 1 128 128 ALA N N 128 121.647 121.647 120.747 0.900 18262 6199 1 10 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.164 0.053 18262 6200 1 10 . 1 1 128 128 ALA CA C 128 54.504 54.504 53.895 0.610 18262 6201 1 10 . 1 1 128 128 ALA CB C 128 19.557 19.557 19.093 0.464 18262 6202 1 10 . 1 1 128 128 ALA H H 128 8.638 8.638 8.142 0.496 18262 6203 1 10 . 1 1 129 129 GLN N N 129 115.892 115.892 117.432 -1.540 18262 6204 1 10 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.166 0.057 18262 6205 1 10 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.410 -0.170 18262 6206 1 10 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.634 -0.257 18262 6207 1 10 . 1 1 129 129 GLN H H 129 7.789 7.789 7.998 -0.209 18262 6208 1 10 . 1 1 130 130 ALA N N 130 122.349 122.349 120.137 2.212 18262 6209 1 10 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.071 0.200 18262 6210 1 10 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.661 1.246 18262 6211 1 10 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.512 1.473 18262 6212 1 10 . 1 1 130 130 ALA H H 130 7.791 7.791 8.015 -0.225 18262 6213 1 10 . 1 1 131 131 GLY N N 131 106.497 106.497 105.660 0.837 18262 6214 1 10 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.206 1.566 18262 6215 1 10 . 1 1 131 131 GLY H H 131 8.157 8.157 8.652 -0.495 18262 6216 1 10 . 1 1 132 132 MET N N 132 119.229 119.229 118.887 0.342 18262 6217 1 10 . 1 1 132 132 MET HA H 132 4.473 4.473 4.366 0.107 18262 6218 1 10 . 1 1 132 132 MET CA C 132 55.973 55.973 55.490 0.482 18262 6219 1 10 . 1 1 132 132 MET CB C 132 33.129 33.129 32.515 0.614 18262 6220 1 10 . 1 1 132 132 MET H H 132 7.929 7.929 7.551 0.378 18262 6221 1 10 . 1 1 133 133 ASN N N 133 118.982 118.982 120.122 -1.140 18262 6222 1 10 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.711 0.030 18262 6223 1 10 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.409 -0.041 18262 6224 1 10 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.763 -0.414 18262 6225 1 10 . 1 1 133 133 ASN H H 133 8.334 8.334 8.326 0.008 18262 6226 1 10 . 1 1 134 134 ASP N N 134 120.983 120.983 122.985 -2.002 18262 6227 1 10 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.692 -0.049 18262 6228 1 10 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.526 -0.019 18262 6229 1 10 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.560 0.723 18262 6230 1 10 . 1 1 134 134 ASP H H 134 8.282 8.282 8.599 -0.317 18262 6231 1 10 . 1 1 135 135 VAL N N 135 119.922 119.922 114.602 5.320 18262 6232 1 10 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.318 -0.121 18262 6233 1 10 . 1 1 135 135 VAL CA C 135 62.327 62.327 62.930 -0.603 18262 6234 1 10 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.846 -0.133 18262 6235 1 10 . 1 1 135 135 VAL H H 135 8.080 8.080 7.763 0.317 18262 6236 1 10 . 1 1 136 136 SER N N 136 119.994 119.994 116.798 3.196 18262 6237 1 10 . 1 1 136 136 SER HA H 136 4.459 4.459 4.441 0.018 18262 6238 1 10 . 1 1 136 136 SER CA C 136 58.412 58.412 58.842 -0.430 18262 6239 1 10 . 1 1 136 136 SER CB C 136 64.068 64.068 63.517 0.551 18262 6240 1 10 . 1 1 136 136 SER H H 136 8.397 8.397 8.387 0.010 18262 6241 1 11 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.623 0.647 18262 6242 1 11 . 1 1 4 4 ASN N N 4 124.122 124.122 119.910 4.212 18262 6243 1 11 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.436 2.391 18262 6244 1 11 . 1 1 4 4 ASN H H 4 7.979 7.979 7.614 0.365 18262 6245 1 11 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.772 -0.080 18262 6246 1 11 . 1 1 6 6 HIS CA C 6 56.068 56.068 54.855 1.214 18262 6247 1 11 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.607 0.495 18262 6248 1 11 . 1 1 7 7 THR N N 7 115.462 115.462 120.053 -4.591 18262 6249 1 11 . 1 1 7 7 THR HA H 7 4.312 4.312 4.101 0.211 18262 6250 1 11 . 1 1 7 7 THR CA C 7 62.316 62.316 63.292 -0.976 18262 6251 1 11 . 1 1 7 7 THR CB C 7 69.849 69.849 68.282 1.567 18262 6252 1 11 . 1 1 7 7 THR H H 7 8.132 8.132 7.646 0.486 18262 6253 1 11 . 1 1 8 8 THR N N 8 115.752 115.752 122.331 -6.579 18262 6254 1 11 . 1 1 8 8 THR HA H 8 4.164 4.164 3.814 0.350 18262 6255 1 11 . 1 1 8 8 THR CA C 8 58.419 58.419 59.035 -0.616 18262 6256 1 11 . 1 1 8 8 THR CB C 8 69.385 69.385 68.705 0.680 18262 6257 1 11 . 1 1 8 8 THR H H 8 7.981 7.981 7.685 0.296 18262 6258 1 11 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.053 -0.101 18262 6259 1 11 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.238 -0.203 18262 6260 1 11 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.705 -0.046 18262 6261 1 11 . 1 1 10 10 TRP N N 10 111.703 111.703 114.394 -2.691 18262 6262 1 11 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.680 0.216 18262 6263 1 11 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.133 -1.664 18262 6264 1 11 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.148 2.098 18262 6265 1 11 . 1 1 10 10 TRP H H 10 6.710 6.710 7.040 -0.330 18262 6266 1 11 . 1 1 11 11 THR N N 11 106.459 106.459 112.725 -6.266 18262 6267 1 11 . 1 1 11 11 THR HA H 11 3.893 3.893 4.057 -0.164 18262 6268 1 11 . 1 1 11 11 THR CA C 11 64.050 64.050 64.519 -0.469 18262 6269 1 11 . 1 1 11 11 THR CB C 11 69.312 69.312 68.898 0.414 18262 6270 1 11 . 1 1 11 11 THR H H 11 7.197 7.197 7.576 -0.379 18262 6271 1 11 . 1 1 12 12 ASN N N 12 116.465 116.465 118.144 -1.679 18262 6272 1 11 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.108 0.000 18262 6273 1 11 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.727 0.598 18262 6274 1 11 . 1 1 12 12 ASN CB C 12 40.629 40.629 41.516 -0.887 18262 6275 1 11 . 1 1 12 12 ASN H H 12 7.285 7.285 7.580 -0.295 18262 6276 1 11 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.342 -0.143 18262 6277 1 11 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.593 -0.082 18262 6278 1 11 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.141 0.411 18262 6279 1 11 . 1 1 14 14 GLY N N 14 109.155 109.155 108.291 0.864 18262 6280 1 11 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.004 0.150 18262 6281 1 11 . 1 1 14 14 GLY H H 14 8.364 8.364 8.641 -0.277 18262 6282 1 11 . 1 1 15 15 LEU N N 15 124.654 124.654 123.051 1.603 18262 6283 1 11 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.096 0.241 18262 6284 1 11 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.203 0.345 18262 6285 1 11 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.682 -0.013 18262 6286 1 11 . 1 1 15 15 LEU H H 15 7.910 7.910 8.080 -0.170 18262 6287 1 11 . 1 1 16 16 ALA N N 16 121.271 121.271 122.430 -1.159 18262 6288 1 11 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.136 -0.132 18262 6289 1 11 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.673 0.757 18262 6290 1 11 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.203 1.250 18262 6291 1 11 . 1 1 16 16 ALA H H 16 8.440 8.440 8.627 -0.187 18262 6292 1 11 . 1 1 17 17 GLU N N 17 117.125 117.125 119.401 -2.276 18262 6293 1 11 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.963 -0.002 18262 6294 1 11 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.933 -0.320 18262 6295 1 11 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.731 0.271 18262 6296 1 11 . 1 1 17 17 GLU H H 17 7.971 7.971 8.286 -0.315 18262 6297 1 11 . 1 1 18 18 ASN N N 18 118.526 118.526 118.310 0.216 18262 6298 1 11 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.476 0.067 18262 6299 1 11 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.490 -0.194 18262 6300 1 11 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.785 -0.463 18262 6301 1 11 . 1 1 18 18 ASN H H 18 8.071 8.071 8.485 -0.414 18262 6302 1 11 . 1 1 19 19 PHE N N 19 122.197 122.197 122.337 -0.140 18262 6303 1 11 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.203 -0.328 18262 6304 1 11 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.840 0.460 18262 6305 1 11 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.224 0.275 18262 6306 1 11 . 1 1 19 19 PHE H H 19 9.658 9.658 8.942 0.716 18262 6307 1 11 . 1 1 20 20 MET N N 20 118.488 118.488 118.150 0.338 18262 6308 1 11 . 1 1 20 20 MET HA H 20 4.432 4.432 3.871 0.561 18262 6309 1 11 . 1 1 20 20 MET CA C 20 57.732 57.732 57.801 -0.069 18262 6310 1 11 . 1 1 20 20 MET CB C 20 31.999 31.999 31.503 0.496 18262 6311 1 11 . 1 1 20 20 MET H H 20 8.874 8.874 8.650 0.224 18262 6312 1 11 . 1 1 21 21 ASN N N 21 118.434 118.434 118.661 -0.227 18262 6313 1 11 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.495 0.044 18262 6314 1 11 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.793 -0.525 18262 6315 1 11 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.522 -0.536 18262 6316 1 11 . 1 1 21 21 ASN H H 21 8.468 8.468 8.553 -0.085 18262 6317 1 11 . 1 1 22 22 SER N N 22 116.181 116.181 116.774 -0.593 18262 6318 1 11 . 1 1 22 22 SER HA H 22 4.193 4.193 4.239 -0.046 18262 6319 1 11 . 1 1 22 22 SER CA C 22 62.195 62.195 61.920 0.275 18262 6320 1 11 . 1 1 22 22 SER CB C 22 62.997 62.997 63.152 -0.155 18262 6321 1 11 . 1 1 22 22 SER H H 22 7.936 7.936 8.214 -0.278 18262 6322 1 11 . 1 1 23 23 PHE N N 23 125.045 125.045 124.535 0.510 18262 6323 1 11 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.128 -0.114 18262 6324 1 11 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.798 -0.335 18262 6325 1 11 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.702 0.267 18262 6326 1 11 . 1 1 23 23 PHE H H 23 9.054 9.054 8.572 0.482 18262 6327 1 11 . 1 1 24 24 MET N N 24 117.336 117.336 119.452 -2.116 18262 6328 1 11 . 1 1 24 24 MET HA H 24 4.029 4.029 3.502 0.527 18262 6329 1 11 . 1 1 24 24 MET CA C 24 56.117 56.117 59.525 -3.408 18262 6330 1 11 . 1 1 24 24 MET CB C 24 30.378 30.378 32.529 -2.151 18262 6331 1 11 . 1 1 24 24 MET H H 24 8.314 8.314 8.455 -0.141 18262 6332 1 11 . 1 1 25 25 GLN N N 25 120.286 120.286 116.733 3.553 18262 6333 1 11 . 1 1 25 25 GLN HA H 25 3.982 3.982 3.958 0.024 18262 6334 1 11 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.275 0.931 18262 6335 1 11 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.652 -0.348 18262 6336 1 11 . 1 1 25 25 GLN H H 25 8.044 8.044 8.073 -0.029 18262 6337 1 11 . 1 1 26 26 GLY N N 26 107.817 107.817 107.123 0.694 18262 6338 1 11 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.297 0.721 18262 6339 1 11 . 1 1 26 26 GLY H H 26 8.101 8.101 8.091 0.010 18262 6340 1 11 . 1 1 27 27 LEU N N 27 122.926 122.926 120.258 2.668 18262 6341 1 11 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.239 -0.453 18262 6342 1 11 . 1 1 27 27 LEU CA C 27 57.394 57.394 55.739 1.655 18262 6343 1 11 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.563 0.545 18262 6344 1 11 . 1 1 27 27 LEU H H 27 8.391 8.391 7.754 0.637 18262 6345 1 11 . 1 1 28 28 SER N N 28 109.497 109.497 114.169 -4.672 18262 6346 1 11 . 1 1 28 28 SER HA H 28 4.150 4.150 4.287 -0.137 18262 6347 1 11 . 1 1 28 28 SER CA C 28 61.223 61.223 59.727 1.496 18262 6348 1 11 . 1 1 28 28 SER CB C 28 63.390 63.390 62.678 0.712 18262 6349 1 11 . 1 1 28 28 SER H H 28 7.519 7.519 7.432 0.087 18262 6350 1 11 . 1 1 29 29 SER N N 29 114.590 114.590 115.549 -0.959 18262 6351 1 11 . 1 1 29 29 SER HA H 29 4.739 4.739 4.453 0.286 18262 6352 1 11 . 1 1 29 29 SER CA C 29 58.035 58.035 58.683 -0.648 18262 6353 1 11 . 1 1 29 29 SER CB C 29 64.626 64.626 63.475 1.151 18262 6354 1 11 . 1 1 29 29 SER H H 29 7.451 7.451 7.299 0.152 18262 6355 1 11 . 1 1 30 30 MET N N 30 122.408 122.408 121.907 0.501 18262 6356 1 11 . 1 1 30 30 MET HA H 30 4.946 4.946 4.871 0.075 18262 6357 1 11 . 1 1 30 30 MET CA C 30 53.633 53.633 51.909 1.724 18262 6358 1 11 . 1 1 30 30 MET CB C 30 32.300 32.300 31.318 0.982 18262 6359 1 11 . 1 1 30 30 MET H H 30 7.659 7.659 7.525 0.134 18262 6360 1 11 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.539 0.129 18262 6361 1 11 . 1 1 31 31 PRO CA C 31 62.950 62.950 64.543 -1.593 18262 6362 1 11 . 1 1 31 31 PRO CB C 31 32.812 32.812 31.999 0.813 18262 6363 1 11 . 1 1 32 32 GLY N N 32 106.245 106.245 107.181 -0.936 18262 6364 1 11 . 1 1 32 32 GLY CA C 32 45.791 45.791 46.245 -0.453 18262 6365 1 11 . 1 1 32 32 GLY H H 32 8.407 8.407 8.024 0.383 18262 6366 1 11 . 1 1 33 33 PHE N N 33 116.330 116.330 117.998 -1.668 18262 6367 1 11 . 1 1 33 33 PHE HA H 33 5.157 5.157 5.110 0.047 18262 6368 1 11 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.149 -0.216 18262 6369 1 11 . 1 1 33 33 PHE CB C 33 42.112 42.112 42.484 -0.372 18262 6370 1 11 . 1 1 33 33 PHE H H 33 7.865 7.865 7.440 0.425 18262 6371 1 11 . 1 1 34 34 THR N N 34 113.680 113.680 115.874 -2.194 18262 6372 1 11 . 1 1 34 34 THR HA H 34 4.544 4.544 4.773 -0.229 18262 6373 1 11 . 1 1 34 34 THR CA C 34 60.409 60.409 60.463 -0.054 18262 6374 1 11 . 1 1 34 34 THR CB C 34 70.714 70.714 71.075 -0.361 18262 6375 1 11 . 1 1 34 34 THR H H 34 8.895 8.895 9.051 -0.156 18262 6376 1 11 . 1 1 35 35 ALA N N 35 123.074 123.074 127.191 -4.117 18262 6377 1 11 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.016 0.069 18262 6378 1 11 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.368 0.529 18262 6379 1 11 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.121 0.047 18262 6380 1 11 . 1 1 35 35 ALA H H 35 8.880 8.880 8.780 0.100 18262 6381 1 11 . 1 1 36 36 SER N N 36 112.915 112.915 113.094 -0.179 18262 6382 1 11 . 1 1 36 36 SER HA H 36 4.273 4.273 4.219 0.054 18262 6383 1 11 . 1 1 36 36 SER CA C 36 61.473 61.473 61.414 0.059 18262 6384 1 11 . 1 1 36 36 SER CB C 36 62.441 62.441 62.553 -0.112 18262 6385 1 11 . 1 1 36 36 SER H H 36 8.413 8.413 8.254 0.159 18262 6386 1 11 . 1 1 37 37 GLN N N 37 121.627 121.627 119.702 1.925 18262 6387 1 11 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.227 0.049 18262 6388 1 11 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.284 0.424 18262 6389 1 11 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.487 0.706 18262 6390 1 11 . 1 1 37 37 GLN H H 37 7.639 7.639 8.168 -0.529 18262 6391 1 11 . 1 1 38 38 LEU N N 38 119.757 119.757 119.896 -0.139 18262 6392 1 11 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.995 -0.168 18262 6393 1 11 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.700 1.299 18262 6394 1 11 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.633 0.393 18262 6395 1 11 . 1 1 38 38 LEU H H 38 8.351 8.351 7.539 0.812 18262 6396 1 11 . 1 1 39 39 ASP N N 39 122.097 122.097 119.755 2.342 18262 6397 1 11 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.287 0.149 18262 6398 1 11 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.671 0.109 18262 6399 1 11 . 1 1 39 39 ASP CB C 39 40.372 40.372 41.010 -0.638 18262 6400 1 11 . 1 1 39 39 ASP H H 39 7.962 7.962 7.704 0.258 18262 6401 1 11 . 1 1 40 40 ASP N N 40 122.033 122.033 119.303 2.730 18262 6402 1 11 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.446 0.044 18262 6403 1 11 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.582 1.308 18262 6404 1 11 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.172 -0.912 18262 6405 1 11 . 1 1 40 40 ASP H H 40 8.052 8.052 7.451 0.601 18262 6406 1 11 . 1 1 41 41 MET N N 41 121.130 121.130 118.948 2.182 18262 6407 1 11 . 1 1 41 41 MET HA H 41 4.191 4.191 4.167 0.024 18262 6408 1 11 . 1 1 41 41 MET CA C 41 57.798 57.798 58.786 -0.988 18262 6409 1 11 . 1 1 41 41 MET CB C 41 31.529 31.529 32.375 -0.846 18262 6410 1 11 . 1 1 41 41 MET H H 41 8.708 8.708 7.852 0.856 18262 6411 1 11 . 1 1 42 42 SER N N 42 116.303 116.303 115.186 1.117 18262 6412 1 11 . 1 1 42 42 SER HA H 42 4.301 4.301 4.181 0.120 18262 6413 1 11 . 1 1 42 42 SER CA C 42 62.145 62.145 62.087 0.058 18262 6414 1 11 . 1 1 42 42 SER CB C 42 62.835 62.835 62.728 0.107 18262 6415 1 11 . 1 1 42 42 SER H H 42 8.364 8.364 7.911 0.453 18262 6416 1 11 . 1 1 43 43 THR N N 43 119.136 119.136 119.077 0.059 18262 6417 1 11 . 1 1 43 43 THR HA H 43 4.051 4.051 4.095 -0.044 18262 6418 1 11 . 1 1 43 43 THR CA C 43 66.673 66.673 66.972 -0.300 18262 6419 1 11 . 1 1 43 43 THR CB C 43 68.635 68.635 68.631 0.004 18262 6420 1 11 . 1 1 43 43 THR H H 43 7.944 7.944 7.704 0.240 18262 6421 1 11 . 1 1 44 44 ILE N N 44 122.789 122.789 121.569 1.220 18262 6422 1 11 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.629 0.319 18262 6423 1 11 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.472 -0.825 18262 6424 1 11 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.378 0.669 18262 6425 1 11 . 1 1 44 44 ILE H H 44 7.856 7.856 7.406 0.450 18262 6426 1 11 . 1 1 45 45 ALA N N 45 124.903 124.903 122.475 2.428 18262 6427 1 11 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.074 0.060 18262 6428 1 11 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.124 0.955 18262 6429 1 11 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.457 0.521 18262 6430 1 11 . 1 1 45 45 ALA H H 45 8.868 8.868 8.492 0.376 18262 6431 1 11 . 1 1 46 46 GLN N N 46 116.435 116.435 117.462 -1.027 18262 6432 1 11 . 1 1 46 46 GLN HA H 46 4.064 4.064 3.975 0.089 18262 6433 1 11 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.584 0.389 18262 6434 1 11 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.383 -0.062 18262 6435 1 11 . 1 1 46 46 GLN H H 46 8.253 8.253 8.205 0.048 18262 6436 1 11 . 1 1 47 47 SER N N 47 116.211 116.211 116.750 -0.539 18262 6437 1 11 . 1 1 47 47 SER HA H 47 4.249 4.249 4.179 0.070 18262 6438 1 11 . 1 1 47 47 SER CA C 47 61.766 61.766 61.424 0.342 18262 6439 1 11 . 1 1 47 47 SER CB C 47 62.874 62.874 63.062 -0.188 18262 6440 1 11 . 1 1 47 47 SER H H 47 8.242 8.242 8.360 -0.118 18262 6441 1 11 . 1 1 48 48 MET N N 48 122.179 122.179 120.218 1.961 18262 6442 1 11 . 1 1 48 48 MET HA H 48 4.109 4.109 4.034 0.075 18262 6443 1 11 . 1 1 48 48 MET CA C 48 57.695 57.695 57.581 0.114 18262 6444 1 11 . 1 1 48 48 MET CB C 48 31.370 31.370 31.788 -0.418 18262 6445 1 11 . 1 1 48 48 MET H H 48 8.198 8.198 7.759 0.439 18262 6446 1 11 . 1 1 49 49 VAL N N 49 118.918 118.918 120.107 -1.189 18262 6447 1 11 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.534 -0.255 18262 6448 1 11 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.776 1.161 18262 6449 1 11 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.416 0.137 18262 6450 1 11 . 1 1 49 49 VAL H H 49 7.791 7.791 7.942 -0.151 18262 6451 1 11 . 1 1 50 50 GLN N N 50 118.407 118.407 118.022 0.385 18262 6452 1 11 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.011 0.081 18262 6453 1 11 . 1 1 50 50 GLN CA C 50 59.126 59.126 58.274 0.852 18262 6454 1 11 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.700 0.503 18262 6455 1 11 . 1 1 50 50 GLN H H 50 8.206 8.206 8.430 -0.224 18262 6456 1 11 . 1 1 51 51 SER N N 51 117.680 117.680 115.338 2.342 18262 6457 1 11 . 1 1 51 51 SER HA H 51 4.209 4.209 4.214 -0.005 18262 6458 1 11 . 1 1 51 51 SER CA C 51 62.766 62.766 61.181 1.585 18262 6459 1 11 . 1 1 51 51 SER CB C 51 63.014 63.014 62.893 0.121 18262 6460 1 11 . 1 1 51 51 SER H H 51 8.394 8.394 7.790 0.604 18262 6461 1 11 . 1 1 52 52 ILE N N 52 123.233 123.233 121.793 1.440 18262 6462 1 11 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.881 -0.318 18262 6463 1 11 . 1 1 52 52 ILE CA C 52 64.881 64.881 63.880 1.001 18262 6464 1 11 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.988 -0.117 18262 6465 1 11 . 1 1 52 52 ILE H H 52 8.135 8.135 7.640 0.495 18262 6466 1 11 . 1 1 53 53 GLN N N 53 119.911 119.911 120.041 -0.130 18262 6467 1 11 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.978 -0.053 18262 6468 1 11 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.162 0.409 18262 6469 1 11 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.290 -0.356 18262 6470 1 11 . 1 1 53 53 GLN H H 53 8.600 8.600 8.613 -0.013 18262 6471 1 11 . 1 1 54 54 SER N N 54 115.414 115.414 114.621 0.793 18262 6472 1 11 . 1 1 54 54 SER HA H 54 4.308 4.308 4.234 0.074 18262 6473 1 11 . 1 1 54 54 SER CA C 54 61.468 61.468 61.342 0.126 18262 6474 1 11 . 1 1 54 54 SER CB C 54 62.950 62.950 63.218 -0.267 18262 6475 1 11 . 1 1 54 54 SER H H 54 8.304 8.304 7.926 0.378 18262 6476 1 11 . 1 1 55 55 LEU N N 55 121.576 121.576 124.212 -2.636 18262 6477 1 11 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.041 0.024 18262 6478 1 11 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.553 0.160 18262 6479 1 11 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.574 0.779 18262 6480 1 11 . 1 1 55 55 LEU H H 55 7.881 7.881 7.327 0.554 18262 6481 1 11 . 1 1 56 56 ALA N N 56 121.244 121.244 119.481 1.763 18262 6482 1 11 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.207 0.025 18262 6483 1 11 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.790 0.611 18262 6484 1 11 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.845 -0.583 18262 6485 1 11 . 1 1 56 56 ALA H H 56 8.007 8.007 8.151 -0.144 18262 6486 1 11 . 1 1 57 57 ALA N N 57 121.370 121.370 120.306 1.064 18262 6487 1 11 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.134 0.079 18262 6488 1 11 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.002 0.514 18262 6489 1 11 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.232 -0.692 18262 6490 1 11 . 1 1 57 57 ALA H H 57 8.026 8.026 7.253 0.773 18262 6491 1 11 . 1 1 58 58 GLN N N 58 114.464 114.464 116.697 -2.233 18262 6492 1 11 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.188 0.156 18262 6493 1 11 . 1 1 58 58 GLN CA C 58 56.027 56.027 56.698 -0.671 18262 6494 1 11 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.254 0.433 18262 6495 1 11 . 1 1 58 58 GLN H H 58 7.759 7.759 8.014 -0.255 18262 6496 1 11 . 1 1 59 59 GLY N N 59 108.318 108.318 108.294 0.024 18262 6497 1 11 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.466 0.670 18262 6498 1 11 . 1 1 59 59 GLY H H 59 7.905 7.905 7.816 0.089 18262 6499 1 11 . 1 1 60 60 ARG N N 60 118.325 118.325 120.056 -1.731 18262 6500 1 11 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.566 -0.040 18262 6501 1 11 . 1 1 60 60 ARG CA C 60 55.728 55.728 54.989 0.739 18262 6502 1 11 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.755 -0.065 18262 6503 1 11 . 1 1 60 60 ARG H H 60 8.097 8.097 8.052 0.045 18262 6504 1 11 . 1 1 61 61 THR N N 61 116.640 116.640 115.652 0.988 18262 6505 1 11 . 1 1 61 61 THR HA H 61 4.782 4.782 4.538 0.244 18262 6506 1 11 . 1 1 61 61 THR CA C 61 63.339 63.339 61.856 1.483 18262 6507 1 11 . 1 1 61 61 THR CB C 61 68.819 68.819 70.428 -1.609 18262 6508 1 11 . 1 1 61 61 THR H H 61 8.038 8.038 8.316 -0.278 18262 6509 1 11 . 1 1 62 62 SER N N 62 119.882 119.882 121.511 -1.629 18262 6510 1 11 . 1 1 62 62 SER HA H 62 4.899 4.899 4.868 0.031 18262 6511 1 11 . 1 1 62 62 SER CA C 62 56.263 56.263 55.999 0.264 18262 6512 1 11 . 1 1 62 62 SER CB C 62 63.827 63.827 63.405 0.422 18262 6513 1 11 . 1 1 62 62 SER H H 62 7.792 7.792 8.546 -0.754 18262 6514 1 11 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.335 -0.036 18262 6515 1 11 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.272 0.544 18262 6516 1 11 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.907 0.310 18262 6517 1 11 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.497 0.050 18262 6518 1 11 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.914 0.281 18262 6519 1 11 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.786 0.284 18262 6520 1 11 . 1 1 65 65 LYS N N 65 121.063 121.063 118.751 2.312 18262 6521 1 11 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.074 0.108 18262 6522 1 11 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.736 -0.184 18262 6523 1 11 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.411 0.296 18262 6524 1 11 . 1 1 65 65 LYS H H 65 7.762 7.762 7.834 -0.072 18262 6525 1 11 . 1 1 66 66 LEU N N 66 119.082 119.082 118.701 0.381 18262 6526 1 11 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.361 -0.298 18262 6527 1 11 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.578 0.421 18262 6528 1 11 . 1 1 66 66 LEU CB C 66 41.461 41.461 41.604 -0.143 18262 6529 1 11 . 1 1 66 66 LEU H H 66 7.934 7.934 7.414 0.520 18262 6530 1 11 . 1 1 67 67 GLN N N 67 119.220 119.220 116.133 3.087 18262 6531 1 11 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.415 -0.207 18262 6532 1 11 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.952 2.135 18262 6533 1 11 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.160 0.055 18262 6534 1 11 . 1 1 67 67 GLN H H 67 8.201 8.201 7.778 0.423 18262 6535 1 11 . 1 1 68 68 ALA N N 68 121.749 121.749 122.233 -0.484 18262 6536 1 11 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.387 -0.208 18262 6537 1 11 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.223 1.052 18262 6538 1 11 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.495 -2.390 18262 6539 1 11 . 1 1 68 68 ALA H H 68 7.739 7.739 7.936 -0.197 18262 6540 1 11 . 1 1 69 69 LEU N N 69 120.591 120.591 119.150 1.441 18262 6541 1 11 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.943 0.052 18262 6542 1 11 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.507 0.467 18262 6543 1 11 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.064 0.274 18262 6544 1 11 . 1 1 69 69 LEU H H 69 7.888 7.888 8.725 -0.837 18262 6545 1 11 . 1 1 70 70 ASN N N 70 119.586 119.586 118.242 1.344 18262 6546 1 11 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.274 -0.743 18262 6547 1 11 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.319 0.701 18262 6548 1 11 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.101 0.747 18262 6549 1 11 . 1 1 70 70 ASN H H 70 8.356 8.356 8.133 0.223 18262 6550 1 11 . 1 1 71 71 MET N N 71 117.354 117.354 119.388 -2.034 18262 6551 1 11 . 1 1 71 71 MET HA H 71 4.271 4.271 4.471 -0.200 18262 6552 1 11 . 1 1 71 71 MET CA C 71 59.088 59.088 58.221 0.867 18262 6553 1 11 . 1 1 71 71 MET CB C 71 32.746 32.746 32.527 0.219 18262 6554 1 11 . 1 1 71 71 MET H H 71 8.207 8.207 7.534 0.673 18262 6555 1 11 . 1 1 72 72 ALA N N 72 123.354 123.354 124.319 -0.965 18262 6556 1 11 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.868 0.206 18262 6557 1 11 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.380 -0.253 18262 6558 1 11 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.308 -0.151 18262 6559 1 11 . 1 1 72 72 ALA H H 72 8.075 8.075 8.051 0.024 18262 6560 1 11 . 1 1 73 73 PHE N N 73 120.968 120.968 116.607 4.361 18262 6561 1 11 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.334 0.184 18262 6562 1 11 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.051 0.381 18262 6563 1 11 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.990 1.607 18262 6564 1 11 . 1 1 73 73 PHE H H 73 8.546 8.546 7.886 0.660 18262 6565 1 11 . 1 1 74 74 ALA N N 74 119.865 119.865 122.649 -2.784 18262 6566 1 11 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.647 0.094 18262 6567 1 11 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.608 0.786 18262 6568 1 11 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.505 2.904 18262 6569 1 11 . 1 1 74 74 ALA H H 74 8.593 8.593 7.253 1.340 18262 6570 1 11 . 1 1 75 75 SER N N 75 112.870 112.870 114.133 -1.263 18262 6571 1 11 . 1 1 75 75 SER HA H 75 3.581 3.581 3.939 -0.358 18262 6572 1 11 . 1 1 75 75 SER CA C 75 61.879 61.879 61.301 0.578 18262 6573 1 11 . 1 1 75 75 SER CB C 75 62.010 62.010 62.132 -0.122 18262 6574 1 11 . 1 1 75 75 SER H H 75 8.501 8.501 8.085 0.416 18262 6575 1 11 . 1 1 76 76 SER N N 76 118.492 118.492 117.780 0.712 18262 6576 1 11 . 1 1 76 76 SER HA H 76 4.301 4.301 4.183 0.118 18262 6577 1 11 . 1 1 76 76 SER CA C 76 62.748 62.748 61.245 1.503 18262 6578 1 11 . 1 1 76 76 SER CB C 76 63.013 63.013 63.308 -0.295 18262 6579 1 11 . 1 1 76 76 SER H H 76 8.152 8.152 7.626 0.526 18262 6580 1 11 . 1 1 77 77 MET N N 77 120.358 120.358 120.414 -0.056 18262 6581 1 11 . 1 1 77 77 MET HA H 77 3.999 3.999 4.301 -0.302 18262 6582 1 11 . 1 1 77 77 MET CA C 77 60.024 60.024 58.730 1.294 18262 6583 1 11 . 1 1 77 77 MET CB C 77 34.657 34.657 32.574 2.083 18262 6584 1 11 . 1 1 77 77 MET H H 77 8.130 8.130 8.099 0.031 18262 6585 1 11 . 1 1 78 78 ALA N N 78 121.547 121.547 123.467 -1.920 18262 6586 1 11 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.044 -0.118 18262 6587 1 11 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.600 -0.004 18262 6588 1 11 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.938 2.461 18262 6589 1 11 . 1 1 78 78 ALA H H 78 8.534 8.534 8.047 0.487 18262 6590 1 11 . 1 1 79 79 GLU N N 79 116.654 116.654 116.625 0.029 18262 6591 1 11 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.086 -0.106 18262 6592 1 11 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.794 0.608 18262 6593 1 11 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.775 0.048 18262 6594 1 11 . 1 1 79 79 GLU H H 79 7.557 7.557 7.669 -0.112 18262 6595 1 11 . 1 1 80 80 ILE N N 80 118.293 118.293 117.768 0.525 18262 6596 1 11 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.015 -0.057 18262 6597 1 11 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.978 -0.193 18262 6598 1 11 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.386 -0.079 18262 6599 1 11 . 1 1 80 80 ILE H H 80 7.239 7.239 7.309 -0.070 18262 6600 1 11 . 1 1 81 81 ALA N N 81 121.511 121.511 123.011 -1.500 18262 6601 1 11 . 1 1 81 81 ALA HA H 81 3.960 3.960 3.975 -0.015 18262 6602 1 11 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.576 0.162 18262 6603 1 11 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.383 -0.425 18262 6604 1 11 . 1 1 81 81 ALA H H 81 8.595 8.595 8.689 -0.094 18262 6605 1 11 . 1 1 82 82 ALA N N 82 116.183 116.183 117.454 -1.271 18262 6606 1 11 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.308 -0.020 18262 6607 1 11 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.408 1.192 18262 6608 1 11 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.706 0.688 18262 6609 1 11 . 1 1 82 82 ALA H H 82 8.001 8.001 7.528 0.473 18262 6610 1 11 . 1 1 83 83 SER N N 83 113.212 113.212 115.568 -2.356 18262 6611 1 11 . 1 1 83 83 SER HA H 83 4.319 4.319 4.406 -0.087 18262 6612 1 11 . 1 1 83 83 SER CA C 83 59.243 59.243 58.447 0.796 18262 6613 1 11 . 1 1 83 83 SER CB C 83 63.971 63.971 63.907 0.064 18262 6614 1 11 . 1 1 83 83 SER H H 83 7.391 7.391 7.542 -0.151 18262 6615 1 11 . 1 1 84 84 GLU N N 84 123.385 123.385 126.734 -3.349 18262 6616 1 11 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.411 0.020 18262 6617 1 11 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.221 0.435 18262 6618 1 11 . 1 1 84 84 GLU CB C 84 30.576 30.576 30.437 0.139 18262 6619 1 11 . 1 1 84 84 GLU H H 84 8.421 8.421 8.626 -0.205 18262 6620 1 11 . 1 1 85 85 GLU N N 85 121.674 121.674 123.847 -2.173 18262 6621 1 11 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.544 -0.270 18262 6622 1 11 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.111 2.016 18262 6623 1 11 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.773 -0.582 18262 6624 1 11 . 1 1 85 85 GLU H H 85 8.407 8.407 8.556 -0.149 18262 6625 1 11 . 1 1 86 86 GLY N N 86 110.617 110.617 108.801 1.816 18262 6626 1 11 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.826 0.898 18262 6627 1 11 . 1 1 86 86 GLY H H 86 8.564 8.564 8.762 -0.198 18262 6628 1 11 . 1 1 87 87 GLY N N 87 108.562 108.562 108.515 0.047 18262 6629 1 11 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.589 0.877 18262 6630 1 11 . 1 1 87 87 GLY H H 87 8.257 8.257 7.198 1.059 18262 6631 1 11 . 1 1 88 88 GLY N N 88 107.890 107.890 107.021 0.869 18262 6632 1 11 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.718 0.166 18262 6633 1 11 . 1 1 88 88 GLY H H 88 8.100 8.100 7.887 0.213 18262 6634 1 11 . 1 1 89 89 SER N N 89 115.889 115.889 115.582 0.307 18262 6635 1 11 . 1 1 89 89 SER HA H 89 4.594 4.594 4.333 0.261 18262 6636 1 11 . 1 1 89 89 SER CA C 89 57.382 57.382 58.288 -0.907 18262 6637 1 11 . 1 1 89 89 SER CB C 89 65.271 65.271 64.331 0.940 18262 6638 1 11 . 1 1 89 89 SER H H 89 8.474 8.474 8.312 0.162 18262 6639 1 11 . 1 1 90 90 LEU N N 90 124.688 124.688 123.671 1.017 18262 6640 1 11 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.167 -0.043 18262 6641 1 11 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.917 0.643 18262 6642 1 11 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.934 -0.516 18262 6643 1 11 . 1 1 90 90 LEU H H 90 8.867 8.867 8.695 0.172 18262 6644 1 11 . 1 1 91 91 SER N N 91 114.045 114.045 114.131 -0.086 18262 6645 1 11 . 1 1 91 91 SER CA C 91 61.331 61.331 62.231 -0.900 18262 6646 1 11 . 1 1 91 91 SER CB C 91 62.080 62.080 62.758 -0.678 18262 6647 1 11 . 1 1 91 91 SER H H 91 8.501 8.501 8.512 -0.011 18262 6648 1 11 . 1 1 92 92 THR N N 92 121.036 121.036 118.401 2.635 18262 6649 1 11 . 1 1 92 92 THR HA H 92 4.006 4.006 4.123 -0.117 18262 6650 1 11 . 1 1 92 92 THR CA C 92 66.537 66.537 66.052 0.485 18262 6651 1 11 . 1 1 92 92 THR CB C 92 68.326 68.326 68.698 -0.372 18262 6652 1 11 . 1 1 92 92 THR H H 92 7.818 7.818 7.755 0.063 18262 6653 1 11 . 1 1 93 93 LYS N N 93 120.426 120.426 122.772 -2.346 18262 6654 1 11 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.584 0.205 18262 6655 1 11 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.518 1.596 18262 6656 1 11 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.538 1.931 18262 6657 1 11 . 1 1 93 93 LYS H H 93 8.146 8.146 8.260 -0.114 18262 6658 1 11 . 1 1 94 94 THR N N 94 111.775 111.775 112.157 -0.382 18262 6659 1 11 . 1 1 94 94 THR HA H 94 3.933 3.933 4.133 -0.200 18262 6660 1 11 . 1 1 94 94 THR CA C 94 67.228 67.228 66.526 0.702 18262 6661 1 11 . 1 1 94 94 THR CB C 94 68.083 68.083 67.934 0.149 18262 6662 1 11 . 1 1 94 94 THR H H 94 8.881 8.881 8.276 0.605 18262 6663 1 11 . 1 1 95 95 SER N N 95 119.066 119.066 118.768 0.298 18262 6664 1 11 . 1 1 95 95 SER HA H 95 4.397 4.397 4.161 0.236 18262 6665 1 11 . 1 1 95 95 SER CA C 95 62.060 62.060 62.252 -0.192 18262 6666 1 11 . 1 1 95 95 SER CB C 95 62.693 62.693 62.704 -0.011 18262 6667 1 11 . 1 1 95 95 SER H H 95 8.134 8.134 7.719 0.415 18262 6668 1 11 . 1 1 96 96 SER N N 96 121.588 121.588 118.743 2.845 18262 6669 1 11 . 1 1 96 96 SER HA H 96 4.462 4.462 4.335 0.127 18262 6670 1 11 . 1 1 96 96 SER CA C 96 62.623 62.623 62.377 0.246 18262 6671 1 11 . 1 1 96 96 SER CB C 96 62.866 62.866 63.107 -0.241 18262 6672 1 11 . 1 1 96 96 SER H H 96 8.642 8.642 7.930 0.712 18262 6673 1 11 . 1 1 97 97 ILE N N 97 122.467 122.467 123.148 -0.681 18262 6674 1 11 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.853 -0.056 18262 6675 1 11 . 1 1 97 97 ILE CA C 97 66.834 66.834 66.042 0.792 18262 6676 1 11 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.886 0.828 18262 6677 1 11 . 1 1 97 97 ILE H H 97 8.482 8.482 8.385 0.097 18262 6678 1 11 . 1 1 98 98 ALA N N 98 122.100 122.100 122.111 -0.011 18262 6679 1 11 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.003 0.051 18262 6680 1 11 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.580 0.649 18262 6681 1 11 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.215 0.202 18262 6682 1 11 . 1 1 98 98 ALA H H 98 8.437 8.437 8.427 0.010 18262 6683 1 11 . 1 1 99 99 SER N N 99 115.737 115.737 115.366 0.371 18262 6684 1 11 . 1 1 99 99 SER HA H 99 4.366 4.366 4.169 0.197 18262 6685 1 11 . 1 1 99 99 SER CA C 99 62.029 62.029 62.441 -0.412 18262 6686 1 11 . 1 1 99 99 SER CB C 99 63.230 63.230 63.006 0.224 18262 6687 1 11 . 1 1 99 99 SER H H 99 8.658 8.658 7.724 0.934 18262 6688 1 11 . 1 1 100 100 ALA N N 100 124.292 124.292 125.064 -0.772 18262 6689 1 11 . 1 1 100 100 ALA HA H 100 4.245 4.245 4.001 0.244 18262 6690 1 11 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.268 0.123 18262 6691 1 11 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.331 0.161 18262 6692 1 11 . 1 1 100 100 ALA H H 100 8.976 8.976 8.396 0.580 18262 6693 1 11 . 1 1 101 101 MET N N 101 119.143 119.143 118.064 1.079 18262 6694 1 11 . 1 1 101 101 MET HA H 101 4.054 4.054 4.157 -0.103 18262 6695 1 11 . 1 1 101 101 MET CA C 101 61.026 61.026 59.975 1.051 18262 6696 1 11 . 1 1 101 101 MET CB C 101 34.483 34.483 32.828 1.655 18262 6697 1 11 . 1 1 101 101 MET H H 101 9.063 9.063 8.307 0.756 18262 6698 1 11 . 1 1 102 102 SER N N 102 116.778 116.778 116.216 0.562 18262 6699 1 11 . 1 1 102 102 SER HA H 102 4.363 4.363 4.133 0.230 18262 6700 1 11 . 1 1 102 102 SER CA C 102 63.348 63.348 62.218 1.130 18262 6701 1 11 . 1 1 102 102 SER CB C 102 62.593 62.593 63.021 -0.428 18262 6702 1 11 . 1 1 102 102 SER H H 102 8.693 8.693 8.492 0.201 18262 6703 1 11 . 1 1 103 103 ASN N N 103 117.982 117.982 119.029 -1.047 18262 6704 1 11 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.529 -0.065 18262 6705 1 11 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.931 0.731 18262 6706 1 11 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.700 -0.183 18262 6707 1 11 . 1 1 103 103 ASN H H 103 8.108 8.108 8.488 -0.380 18262 6708 1 11 . 1 1 104 104 ALA N N 104 122.272 122.272 122.483 -0.211 18262 6709 1 11 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.120 0.120 18262 6710 1 11 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.084 -0.241 18262 6711 1 11 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.601 -0.368 18262 6712 1 11 . 1 1 104 104 ALA H H 104 7.892 7.892 8.080 -0.188 18262 6713 1 11 . 1 1 105 105 PHE N N 105 119.096 119.096 120.028 -0.932 18262 6714 1 11 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.641 -0.241 18262 6715 1 11 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.516 4.327 18262 6716 1 11 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.702 -0.215 18262 6717 1 11 . 1 1 105 105 PHE H H 105 8.580 8.580 8.732 -0.152 18262 6718 1 11 . 1 1 106 106 LEU N N 106 121.540 121.540 118.481 3.059 18262 6719 1 11 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.039 -0.303 18262 6720 1 11 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.408 1.748 18262 6721 1 11 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.565 -0.230 18262 6722 1 11 . 1 1 106 106 LEU H H 106 8.226 8.226 7.779 0.447 18262 6723 1 11 . 1 1 107 107 GLN N N 107 114.603 114.603 117.604 -3.001 18262 6724 1 11 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.286 -0.096 18262 6725 1 11 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.867 -0.449 18262 6726 1 11 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.721 0.770 18262 6727 1 11 . 1 1 107 107 GLN H H 107 8.132 8.132 8.128 0.004 18262 6728 1 11 . 1 1 108 108 THR N N 108 108.290 108.290 111.732 -3.442 18262 6729 1 11 . 1 1 108 108 THR HA H 108 4.518 4.518 4.219 0.299 18262 6730 1 11 . 1 1 108 108 THR CA C 108 62.483 62.483 64.406 -1.923 18262 6731 1 11 . 1 1 108 108 THR CB C 108 70.390 70.390 68.950 1.440 18262 6732 1 11 . 1 1 108 108 THR H H 108 7.726 7.726 7.619 0.107 18262 6733 1 11 . 1 1 109 109 THR N N 109 113.407 113.407 112.605 0.802 18262 6734 1 11 . 1 1 109 109 THR HA H 109 4.586 4.586 4.337 0.249 18262 6735 1 11 . 1 1 109 109 THR CA C 109 62.325 62.325 61.347 0.978 18262 6736 1 11 . 1 1 109 109 THR CB C 109 70.696 70.696 70.009 0.687 18262 6737 1 11 . 1 1 109 109 THR H H 109 8.907 8.907 7.334 1.573 18262 6738 1 11 . 1 1 110 110 GLY N N 110 109.267 109.267 109.942 -0.675 18262 6739 1 11 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.361 0.207 18262 6740 1 11 . 1 1 110 110 GLY H H 110 8.361 8.361 7.819 0.542 18262 6741 1 11 . 1 1 111 111 VAL N N 111 119.375 119.375 121.009 -1.634 18262 6742 1 11 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.307 -0.052 18262 6743 1 11 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.204 -0.322 18262 6744 1 11 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.339 1.097 18262 6745 1 11 . 1 1 111 111 VAL H H 111 7.784 7.784 7.525 0.259 18262 6746 1 11 . 1 1 112 112 VAL N N 112 125.327 125.327 122.970 2.357 18262 6747 1 11 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.556 -1.344 18262 6748 1 11 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.044 4.435 18262 6749 1 11 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.264 -1.568 18262 6750 1 11 . 1 1 112 112 VAL H H 112 8.747 8.747 8.168 0.579 18262 6751 1 11 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.959 -0.457 18262 6752 1 11 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.351 -2.158 18262 6753 1 11 . 1 1 113 113 ASN CB C 113 37.122 37.122 39.998 -2.876 18262 6754 1 11 . 1 1 114 114 GLN N N 114 124.067 124.067 124.499 -0.432 18262 6755 1 11 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.253 -0.316 18262 6756 1 11 . 1 1 114 114 GLN CA C 114 59.418 59.418 59.968 -0.550 18262 6757 1 11 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.003 -0.456 18262 6758 1 11 . 1 1 114 114 GLN H H 114 8.394 8.394 9.052 -0.658 18262 6759 1 11 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.255 -0.005 18262 6760 1 11 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.654 1.018 18262 6761 1 11 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.131 0.168 18262 6762 1 11 . 1 1 116 116 PHE N N 116 117.820 117.820 119.471 -1.651 18262 6763 1 11 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.186 0.016 18262 6764 1 11 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.666 -0.335 18262 6765 1 11 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.871 0.648 18262 6766 1 11 . 1 1 116 116 PHE H H 116 7.268 7.268 8.084 -0.816 18262 6767 1 11 . 1 1 117 117 ILE N N 117 119.434 119.434 118.664 0.770 18262 6768 1 11 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.379 0.155 18262 6769 1 11 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.176 0.571 18262 6770 1 11 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.619 0.576 18262 6771 1 11 . 1 1 117 117 ILE H H 117 7.641 7.641 7.634 0.007 18262 6772 1 11 . 1 1 118 118 ASN N N 118 119.834 119.834 118.952 0.882 18262 6773 1 11 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.508 -0.195 18262 6774 1 11 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.631 0.070 18262 6775 1 11 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.925 -0.404 18262 6776 1 11 . 1 1 118 118 ASN H H 118 8.985 8.985 7.803 1.182 18262 6777 1 11 . 1 1 119 119 GLU N N 119 121.164 121.164 121.608 -0.444 18262 6778 1 11 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.043 -0.020 18262 6779 1 11 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.358 0.279 18262 6780 1 11 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.409 0.307 18262 6781 1 11 . 1 1 119 119 GLU H H 119 8.090 8.090 8.446 -0.356 18262 6782 1 11 . 1 1 120 120 ILE N N 120 117.906 117.906 118.196 -0.290 18262 6783 1 11 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.605 0.149 18262 6784 1 11 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.464 -1.496 18262 6785 1 11 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.507 -0.693 18262 6786 1 11 . 1 1 120 120 ILE H H 120 8.025 8.025 8.397 -0.372 18262 6787 1 11 . 1 1 121 121 THR N N 121 112.720 112.720 112.485 0.235 18262 6788 1 11 . 1 1 121 121 THR HA H 121 3.767 3.767 3.896 -0.129 18262 6789 1 11 . 1 1 121 121 THR CA C 121 67.203 67.203 66.605 0.598 18262 6790 1 11 . 1 1 121 121 THR CB C 121 68.380 68.380 68.088 0.292 18262 6791 1 11 . 1 1 121 121 THR H H 121 8.665 8.665 7.868 0.797 18262 6792 1 11 . 1 1 122 122 GLN N N 122 123.165 123.165 121.494 1.671 18262 6793 1 11 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.070 0.018 18262 6794 1 11 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.654 0.608 18262 6795 1 11 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.452 -0.291 18262 6796 1 11 . 1 1 122 122 GLN H H 122 8.128 8.128 7.520 0.608 18262 6797 1 11 . 1 1 123 123 LEU N N 123 120.702 120.702 120.938 -0.236 18262 6798 1 11 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.687 0.236 18262 6799 1 11 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.682 0.436 18262 6800 1 11 . 1 1 123 123 LEU CB C 123 42.990 42.990 40.236 2.754 18262 6801 1 11 . 1 1 123 123 LEU H H 123 8.173 8.173 8.245 -0.072 18262 6802 1 11 . 1 1 124 124 VAL N N 124 118.840 118.840 118.922 -0.082 18262 6803 1 11 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.904 -0.289 18262 6804 1 11 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.328 0.996 18262 6805 1 11 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.622 0.931 18262 6806 1 11 . 1 1 124 124 VAL H H 124 8.742 8.742 8.553 0.189 18262 6807 1 11 . 1 1 125 125 SER N N 125 112.613 112.613 115.235 -2.622 18262 6808 1 11 . 1 1 125 125 SER HA H 125 4.050 4.050 4.121 -0.071 18262 6809 1 11 . 1 1 125 125 SER CA C 125 62.568 62.568 62.020 0.548 18262 6810 1 11 . 1 1 125 125 SER CB C 125 62.960 62.960 62.882 0.078 18262 6811 1 11 . 1 1 125 125 SER H H 125 7.883 7.883 7.731 0.152 18262 6812 1 11 . 1 1 126 126 MET N N 126 120.939 120.939 120.855 0.084 18262 6813 1 11 . 1 1 126 126 MET HA H 126 4.052 4.052 4.076 -0.024 18262 6814 1 11 . 1 1 126 126 MET CA C 126 59.009 59.009 57.579 1.430 18262 6815 1 11 . 1 1 126 126 MET CB C 126 32.780 32.780 31.771 1.009 18262 6816 1 11 . 1 1 126 126 MET H H 126 8.091 8.091 8.207 -0.116 18262 6817 1 11 . 1 1 127 127 PHE N N 127 118.732 118.732 118.247 0.485 18262 6818 1 11 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.427 0.038 18262 6819 1 11 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.308 0.288 18262 6820 1 11 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.518 1.393 18262 6821 1 11 . 1 1 127 127 PHE H H 127 8.755 8.755 8.604 0.151 18262 6822 1 11 . 1 1 128 128 ALA N N 128 121.647 121.647 122.854 -1.207 18262 6823 1 11 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.029 0.189 18262 6824 1 11 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.796 -0.292 18262 6825 1 11 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.351 1.206 18262 6826 1 11 . 1 1 128 128 ALA H H 128 8.638 8.638 7.888 0.750 18262 6827 1 11 . 1 1 129 129 GLN N N 129 115.892 115.892 117.621 -1.729 18262 6828 1 11 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.115 0.108 18262 6829 1 11 . 1 1 129 129 GLN CA C 129 57.240 57.240 58.257 -1.016 18262 6830 1 11 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.718 0.659 18262 6831 1 11 . 1 1 129 129 GLN H H 129 7.789 7.789 7.713 0.076 18262 6832 1 11 . 1 1 130 130 ALA N N 130 122.349 122.349 119.755 2.594 18262 6833 1 11 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.237 0.034 18262 6834 1 11 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.904 1.003 18262 6835 1 11 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.435 -0.450 18262 6836 1 11 . 1 1 130 130 ALA H H 130 7.791 7.791 7.934 -0.143 18262 6837 1 11 . 1 1 131 131 GLY N N 131 106.497 106.497 107.185 -0.688 18262 6838 1 11 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.270 0.502 18262 6839 1 11 . 1 1 131 131 GLY H H 131 8.157 8.157 8.212 -0.055 18262 6840 1 11 . 1 1 132 132 MET N N 132 119.229 119.229 113.084 6.145 18262 6841 1 11 . 1 1 132 132 MET HA H 132 4.473 4.473 4.824 -0.350 18262 6842 1 11 . 1 1 132 132 MET CA C 132 55.973 55.973 54.484 1.489 18262 6843 1 11 . 1 1 132 132 MET CB C 132 33.129 33.129 34.627 -1.498 18262 6844 1 11 . 1 1 132 132 MET H H 132 7.929 7.929 7.366 0.563 18262 6845 1 11 . 1 1 133 133 ASN N N 133 118.982 118.982 120.061 -1.079 18262 6846 1 11 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.642 0.099 18262 6847 1 11 . 1 1 133 133 ASN CA C 133 53.368 53.368 52.724 0.644 18262 6848 1 11 . 1 1 133 133 ASN CB C 133 39.349 39.349 40.078 -0.729 18262 6849 1 11 . 1 1 133 133 ASN H H 133 8.334 8.334 8.653 -0.319 18262 6850 1 11 . 1 1 134 134 ASP N N 134 120.983 120.983 122.103 -1.120 18262 6851 1 11 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.615 0.028 18262 6852 1 11 . 1 1 134 134 ASP CA C 134 54.507 54.507 55.311 -0.804 18262 6853 1 11 . 1 1 134 134 ASP CB C 134 41.283 41.283 41.051 0.232 18262 6854 1 11 . 1 1 134 134 ASP H H 134 8.282 8.282 8.879 -0.597 18262 6855 1 11 . 1 1 135 135 VAL N N 135 119.922 119.922 123.005 -3.083 18262 6856 1 11 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.062 0.135 18262 6857 1 11 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.073 -0.746 18262 6858 1 11 . 1 1 135 135 VAL CB C 135 32.714 32.714 29.215 3.499 18262 6859 1 11 . 1 1 135 135 VAL H H 135 8.080 8.080 8.266 -0.186 18262 6860 1 11 . 1 1 136 136 SER N N 136 119.994 119.994 116.592 3.402 18262 6861 1 11 . 1 1 136 136 SER HA H 136 4.459 4.459 4.598 -0.139 18262 6862 1 11 . 1 1 136 136 SER CA C 136 58.412 58.412 58.615 -0.203 18262 6863 1 11 . 1 1 136 136 SER CB C 136 64.068 64.068 64.520 -0.452 18262 6864 1 11 . 1 1 136 136 SER H H 136 8.397 8.397 8.523 -0.126 18262 6865 1 12 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.790 0.480 18262 6866 1 12 . 1 1 4 4 ASN N N 4 124.122 124.122 121.631 2.491 18262 6867 1 12 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.163 2.664 18262 6868 1 12 . 1 1 4 4 ASN H H 4 7.979 7.979 7.921 0.058 18262 6869 1 12 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.711 -0.019 18262 6870 1 12 . 1 1 6 6 HIS CA C 6 56.068 56.068 56.022 0.046 18262 6871 1 12 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.785 0.317 18262 6872 1 12 . 1 1 7 7 THR N N 7 115.462 115.462 118.821 -3.359 18262 6873 1 12 . 1 1 7 7 THR HA H 7 4.312 4.312 4.412 -0.100 18262 6874 1 12 . 1 1 7 7 THR CA C 7 62.316 62.316 61.363 0.953 18262 6875 1 12 . 1 1 7 7 THR CB C 7 69.849 69.849 69.752 0.097 18262 6876 1 12 . 1 1 7 7 THR H H 7 8.132 8.132 8.762 -0.630 18262 6877 1 12 . 1 1 8 8 THR N N 8 115.752 115.752 114.760 0.992 18262 6878 1 12 . 1 1 8 8 THR HA H 8 4.164 4.164 4.240 -0.076 18262 6879 1 12 . 1 1 8 8 THR CA C 8 58.419 58.419 59.212 -0.793 18262 6880 1 12 . 1 1 8 8 THR CB C 8 69.385 69.385 69.015 0.370 18262 6881 1 12 . 1 1 8 8 THR H H 8 7.981 7.981 7.418 0.564 18262 6882 1 12 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.225 -0.273 18262 6883 1 12 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.122 -0.087 18262 6884 1 12 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.391 0.268 18262 6885 1 12 . 1 1 10 10 TRP N N 10 111.703 111.703 115.766 -4.063 18262 6886 1 12 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.735 0.161 18262 6887 1 12 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.673 -1.204 18262 6888 1 12 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.562 1.684 18262 6889 1 12 . 1 1 10 10 TRP H H 10 6.710 6.710 7.184 -0.474 18262 6890 1 12 . 1 1 11 11 THR N N 11 106.459 106.459 112.243 -5.784 18262 6891 1 12 . 1 1 11 11 THR HA H 11 3.893 3.893 4.244 -0.351 18262 6892 1 12 . 1 1 11 11 THR CA C 11 64.050 64.050 63.702 0.348 18262 6893 1 12 . 1 1 11 11 THR CB C 11 69.312 69.312 68.882 0.430 18262 6894 1 12 . 1 1 11 11 THR H H 11 7.197 7.197 7.652 -0.455 18262 6895 1 12 . 1 1 12 12 ASN N N 12 116.465 116.465 119.288 -2.823 18262 6896 1 12 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.078 0.030 18262 6897 1 12 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.967 0.358 18262 6898 1 12 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.996 -0.367 18262 6899 1 12 . 1 1 12 12 ASN H H 12 7.285 7.285 7.440 -0.155 18262 6900 1 12 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.532 -0.333 18262 6901 1 12 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.372 0.139 18262 6902 1 12 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.280 0.272 18262 6903 1 12 . 1 1 14 14 GLY N N 14 109.155 109.155 107.105 2.050 18262 6904 1 12 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.839 0.315 18262 6905 1 12 . 1 1 14 14 GLY H H 14 8.364 8.364 8.188 0.176 18262 6906 1 12 . 1 1 15 15 LEU N N 15 124.654 124.654 122.817 1.837 18262 6907 1 12 . 1 1 15 15 LEU HA H 15 4.337 4.337 3.973 0.364 18262 6908 1 12 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.187 0.360 18262 6909 1 12 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.665 0.005 18262 6910 1 12 . 1 1 15 15 LEU H H 15 7.910 7.910 8.197 -0.287 18262 6911 1 12 . 1 1 16 16 ALA N N 16 121.271 121.271 122.816 -1.545 18262 6912 1 12 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.143 -0.139 18262 6913 1 12 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.313 1.117 18262 6914 1 12 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.499 0.954 18262 6915 1 12 . 1 1 16 16 ALA H H 16 8.440 8.440 8.415 0.025 18262 6916 1 12 . 1 1 17 17 GLU N N 17 117.125 117.125 117.848 -0.723 18262 6917 1 12 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.015 -0.054 18262 6918 1 12 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.048 0.565 18262 6919 1 12 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.247 0.755 18262 6920 1 12 . 1 1 17 17 GLU H H 17 7.971 7.971 8.001 -0.030 18262 6921 1 12 . 1 1 18 18 ASN N N 18 118.526 118.526 119.153 -0.627 18262 6922 1 12 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.510 0.033 18262 6923 1 12 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.742 -0.446 18262 6924 1 12 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.804 -0.482 18262 6925 1 12 . 1 1 18 18 ASN H H 18 8.071 8.071 7.861 0.210 18262 6926 1 12 . 1 1 19 19 PHE N N 19 122.197 122.197 123.485 -1.288 18262 6927 1 12 . 1 1 19 19 PHE HA H 19 3.875 3.875 3.945 -0.070 18262 6928 1 12 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.812 0.488 18262 6929 1 12 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.809 0.690 18262 6930 1 12 . 1 1 19 19 PHE H H 19 9.658 9.658 8.894 0.764 18262 6931 1 12 . 1 1 20 20 MET N N 20 118.488 118.488 117.870 0.618 18262 6932 1 12 . 1 1 20 20 MET HA H 20 4.432 4.432 3.884 0.548 18262 6933 1 12 . 1 1 20 20 MET CA C 20 57.732 57.732 57.763 -0.031 18262 6934 1 12 . 1 1 20 20 MET CB C 20 31.999 31.999 31.430 0.569 18262 6935 1 12 . 1 1 20 20 MET H H 20 8.874 8.874 8.747 0.127 18262 6936 1 12 . 1 1 21 21 ASN N N 21 118.434 118.434 118.832 -0.398 18262 6937 1 12 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.453 0.086 18262 6938 1 12 . 1 1 21 21 ASN CA C 21 56.268 56.268 57.014 -0.746 18262 6939 1 12 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.449 -0.463 18262 6940 1 12 . 1 1 21 21 ASN H H 21 8.468 8.468 8.472 -0.004 18262 6941 1 12 . 1 1 22 22 SER N N 22 116.181 116.181 116.248 -0.067 18262 6942 1 12 . 1 1 22 22 SER HA H 22 4.193 4.193 4.139 0.054 18262 6943 1 12 . 1 1 22 22 SER CA C 22 62.195 62.195 62.087 0.108 18262 6944 1 12 . 1 1 22 22 SER CB C 22 62.997 62.997 62.942 0.055 18262 6945 1 12 . 1 1 22 22 SER H H 22 7.936 7.936 8.345 -0.409 18262 6946 1 12 . 1 1 23 23 PHE N N 23 125.045 125.045 124.516 0.529 18262 6947 1 12 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.062 -0.048 18262 6948 1 12 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.747 -0.284 18262 6949 1 12 . 1 1 23 23 PHE CB C 23 38.969 38.969 39.043 -0.074 18262 6950 1 12 . 1 1 23 23 PHE H H 23 9.054 9.054 8.442 0.612 18262 6951 1 12 . 1 1 24 24 MET N N 24 117.336 117.336 119.322 -1.986 18262 6952 1 12 . 1 1 24 24 MET HA H 24 4.029 4.029 3.647 0.382 18262 6953 1 12 . 1 1 24 24 MET CA C 24 56.117 56.117 58.610 -2.493 18262 6954 1 12 . 1 1 24 24 MET CB C 24 30.378 30.378 32.216 -1.838 18262 6955 1 12 . 1 1 24 24 MET H H 24 8.314 8.314 8.695 -0.381 18262 6956 1 12 . 1 1 25 25 GLN N N 25 120.286 120.286 116.759 3.527 18262 6957 1 12 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.053 -0.071 18262 6958 1 12 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.488 0.718 18262 6959 1 12 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.362 -0.058 18262 6960 1 12 . 1 1 25 25 GLN H H 25 8.044 8.044 8.581 -0.537 18262 6961 1 12 . 1 1 26 26 GLY N N 26 107.817 107.817 107.013 0.804 18262 6962 1 12 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.148 0.870 18262 6963 1 12 . 1 1 26 26 GLY H H 26 8.101 8.101 7.910 0.191 18262 6964 1 12 . 1 1 27 27 LEU N N 27 122.926 122.926 122.527 0.399 18262 6965 1 12 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.055 -0.269 18262 6966 1 12 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.484 0.910 18262 6967 1 12 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.175 0.933 18262 6968 1 12 . 1 1 27 27 LEU H H 27 8.391 8.391 8.133 0.258 18262 6969 1 12 . 1 1 28 28 SER N N 28 109.497 109.497 113.913 -4.416 18262 6970 1 12 . 1 1 28 28 SER HA H 28 4.150 4.150 4.214 -0.064 18262 6971 1 12 . 1 1 28 28 SER CA C 28 61.223 61.223 60.269 0.954 18262 6972 1 12 . 1 1 28 28 SER CB C 28 63.390 63.390 62.863 0.527 18262 6973 1 12 . 1 1 28 28 SER H H 28 7.519 7.519 8.089 -0.570 18262 6974 1 12 . 1 1 29 29 SER N N 29 114.590 114.590 114.181 0.409 18262 6975 1 12 . 1 1 29 29 SER HA H 29 4.739 4.739 4.557 0.182 18262 6976 1 12 . 1 1 29 29 SER CA C 29 58.035 58.035 58.291 -0.256 18262 6977 1 12 . 1 1 29 29 SER CB C 29 64.626 64.626 63.541 1.085 18262 6978 1 12 . 1 1 29 29 SER H H 29 7.451 7.451 7.415 0.036 18262 6979 1 12 . 1 1 30 30 MET N N 30 122.408 122.408 122.887 -0.479 18262 6980 1 12 . 1 1 30 30 MET HA H 30 4.946 4.946 4.847 0.099 18262 6981 1 12 . 1 1 30 30 MET CA C 30 53.633 53.633 53.353 0.280 18262 6982 1 12 . 1 1 30 30 MET CB C 30 32.300 32.300 32.656 -0.356 18262 6983 1 12 . 1 1 30 30 MET H H 30 7.659 7.659 7.720 -0.061 18262 6984 1 12 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.411 0.257 18262 6985 1 12 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.325 -0.375 18262 6986 1 12 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.464 0.348 18262 6987 1 12 . 1 1 32 32 GLY N N 32 106.245 106.245 106.870 -0.625 18262 6988 1 12 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.393 0.398 18262 6989 1 12 . 1 1 32 32 GLY H H 32 8.407 8.407 8.560 -0.153 18262 6990 1 12 . 1 1 33 33 PHE N N 33 116.330 116.330 122.690 -6.360 18262 6991 1 12 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.757 0.400 18262 6992 1 12 . 1 1 33 33 PHE CA C 33 56.933 56.933 58.180 -1.247 18262 6993 1 12 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.185 1.927 18262 6994 1 12 . 1 1 33 33 PHE H H 33 7.865 7.865 7.283 0.582 18262 6995 1 12 . 1 1 34 34 THR N N 34 113.680 113.680 116.606 -2.926 18262 6996 1 12 . 1 1 34 34 THR HA H 34 4.544 4.544 4.616 -0.072 18262 6997 1 12 . 1 1 34 34 THR CA C 34 60.409 60.409 60.485 -0.076 18262 6998 1 12 . 1 1 34 34 THR CB C 34 70.714 70.714 71.280 -0.566 18262 6999 1 12 . 1 1 34 34 THR H H 34 8.895 8.895 8.204 0.691 18262 7000 1 12 . 1 1 35 35 ALA N N 35 123.074 123.074 126.466 -3.392 18262 7001 1 12 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.029 0.056 18262 7002 1 12 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.447 0.451 18262 7003 1 12 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.339 -0.171 18262 7004 1 12 . 1 1 35 35 ALA H H 35 8.880 8.880 8.736 0.144 18262 7005 1 12 . 1 1 36 36 SER N N 36 112.915 112.915 114.085 -1.170 18262 7006 1 12 . 1 1 36 36 SER HA H 36 4.273 4.273 4.116 0.157 18262 7007 1 12 . 1 1 36 36 SER CA C 36 61.473 61.473 61.622 -0.149 18262 7008 1 12 . 1 1 36 36 SER CB C 36 62.441 62.441 62.757 -0.316 18262 7009 1 12 . 1 1 36 36 SER H H 36 8.413 8.413 8.409 0.004 18262 7010 1 12 . 1 1 37 37 GLN N N 37 121.627 121.627 121.218 0.409 18262 7011 1 12 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.190 0.086 18262 7012 1 12 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.950 -0.242 18262 7013 1 12 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.709 0.484 18262 7014 1 12 . 1 1 37 37 GLN H H 37 7.639 7.639 7.804 -0.165 18262 7015 1 12 . 1 1 38 38 LEU N N 38 119.757 119.757 120.126 -0.369 18262 7016 1 12 . 1 1 38 38 LEU HA H 38 3.827 3.827 4.006 -0.179 18262 7017 1 12 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.223 0.776 18262 7018 1 12 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.478 0.548 18262 7019 1 12 . 1 1 38 38 LEU H H 38 8.351 8.351 7.614 0.737 18262 7020 1 12 . 1 1 39 39 ASP N N 39 122.097 122.097 120.583 1.514 18262 7021 1 12 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.308 0.128 18262 7022 1 12 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.970 -0.190 18262 7023 1 12 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.891 -0.519 18262 7024 1 12 . 1 1 39 39 ASP H H 39 7.962 7.962 8.143 -0.181 18262 7025 1 12 . 1 1 40 40 ASP N N 40 122.033 122.033 120.007 2.026 18262 7026 1 12 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.467 0.023 18262 7027 1 12 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.880 1.010 18262 7028 1 12 . 1 1 40 40 ASP CB C 40 40.260 40.260 40.766 -0.506 18262 7029 1 12 . 1 1 40 40 ASP H H 40 8.052 8.052 7.782 0.270 18262 7030 1 12 . 1 1 41 41 MET N N 41 121.130 121.130 119.106 2.024 18262 7031 1 12 . 1 1 41 41 MET HA H 41 4.191 4.191 4.081 0.110 18262 7032 1 12 . 1 1 41 41 MET CA C 41 57.798 57.798 59.369 -1.571 18262 7033 1 12 . 1 1 41 41 MET CB C 41 31.529 31.529 32.361 -0.832 18262 7034 1 12 . 1 1 41 41 MET H H 41 8.708 8.708 8.597 0.111 18262 7035 1 12 . 1 1 42 42 SER N N 42 116.303 116.303 114.686 1.617 18262 7036 1 12 . 1 1 42 42 SER HA H 42 4.301 4.301 4.210 0.091 18262 7037 1 12 . 1 1 42 42 SER CA C 42 62.145 62.145 61.901 0.244 18262 7038 1 12 . 1 1 42 42 SER CB C 42 62.835 62.835 62.953 -0.118 18262 7039 1 12 . 1 1 42 42 SER H H 42 8.364 8.364 8.166 0.198 18262 7040 1 12 . 1 1 43 43 THR N N 43 119.136 119.136 118.978 0.158 18262 7041 1 12 . 1 1 43 43 THR HA H 43 4.051 4.051 4.111 -0.060 18262 7042 1 12 . 1 1 43 43 THR CA C 43 66.673 66.673 66.653 0.020 18262 7043 1 12 . 1 1 43 43 THR CB C 43 68.635 68.635 68.647 -0.012 18262 7044 1 12 . 1 1 43 43 THR H H 43 7.944 7.944 7.556 0.388 18262 7045 1 12 . 1 1 44 44 ILE N N 44 122.789 122.789 121.471 1.318 18262 7046 1 12 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.711 0.237 18262 7047 1 12 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.426 -0.779 18262 7048 1 12 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.279 0.768 18262 7049 1 12 . 1 1 44 44 ILE H H 44 7.856 7.856 7.516 0.340 18262 7050 1 12 . 1 1 45 45 ALA N N 45 124.903 124.903 119.774 5.129 18262 7051 1 12 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.161 -0.027 18262 7052 1 12 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.528 1.551 18262 7053 1 12 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.294 0.684 18262 7054 1 12 . 1 1 45 45 ALA H H 45 8.868 8.868 8.178 0.690 18262 7055 1 12 . 1 1 46 46 GLN N N 46 116.435 116.435 117.865 -1.430 18262 7056 1 12 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.258 -0.194 18262 7057 1 12 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.283 0.690 18262 7058 1 12 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.535 -1.215 18262 7059 1 12 . 1 1 46 46 GLN H H 46 8.253 8.253 7.411 0.842 18262 7060 1 12 . 1 1 47 47 SER N N 47 116.211 116.211 116.460 -0.249 18262 7061 1 12 . 1 1 47 47 SER HA H 47 4.249 4.249 4.542 -0.293 18262 7062 1 12 . 1 1 47 47 SER CA C 47 61.766 61.766 60.756 1.010 18262 7063 1 12 . 1 1 47 47 SER CB C 47 62.874 62.874 62.992 -0.118 18262 7064 1 12 . 1 1 47 47 SER H H 47 8.242 8.242 8.395 -0.153 18262 7065 1 12 . 1 1 48 48 MET N N 48 122.179 122.179 119.771 2.408 18262 7066 1 12 . 1 1 48 48 MET HA H 48 4.109 4.109 4.095 0.014 18262 7067 1 12 . 1 1 48 48 MET CA C 48 57.695 57.695 57.911 -0.216 18262 7068 1 12 . 1 1 48 48 MET CB C 48 31.370 31.370 31.746 -0.376 18262 7069 1 12 . 1 1 48 48 MET H H 48 8.198 8.198 8.084 0.114 18262 7070 1 12 . 1 1 49 49 VAL N N 49 118.918 118.918 118.186 0.732 18262 7071 1 12 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.689 -0.410 18262 7072 1 12 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.565 1.372 18262 7073 1 12 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.024 0.529 18262 7074 1 12 . 1 1 49 49 VAL H H 49 7.791 7.791 7.860 -0.069 18262 7075 1 12 . 1 1 50 50 GLN N N 50 118.407 118.407 119.388 -0.981 18262 7076 1 12 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.937 0.155 18262 7077 1 12 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.289 -0.163 18262 7078 1 12 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.825 0.378 18262 7079 1 12 . 1 1 50 50 GLN H H 50 8.206 8.206 8.584 -0.378 18262 7080 1 12 . 1 1 51 51 SER N N 51 117.680 117.680 115.967 1.713 18262 7081 1 12 . 1 1 51 51 SER HA H 51 4.209 4.209 4.185 0.024 18262 7082 1 12 . 1 1 51 51 SER CA C 51 62.766 62.766 61.657 1.109 18262 7083 1 12 . 1 1 51 51 SER CB C 51 63.014 63.014 62.965 0.049 18262 7084 1 12 . 1 1 51 51 SER H H 51 8.394 8.394 7.856 0.538 18262 7085 1 12 . 1 1 52 52 ILE N N 52 123.233 123.233 120.371 2.862 18262 7086 1 12 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.808 -0.245 18262 7087 1 12 . 1 1 52 52 ILE CA C 52 64.881 64.881 63.633 1.248 18262 7088 1 12 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.499 0.372 18262 7089 1 12 . 1 1 52 52 ILE H H 52 8.135 8.135 7.232 0.903 18262 7090 1 12 . 1 1 53 53 GLN N N 53 119.911 119.911 120.311 -0.400 18262 7091 1 12 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.982 -0.057 18262 7092 1 12 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.683 0.888 18262 7093 1 12 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.247 -0.314 18262 7094 1 12 . 1 1 53 53 GLN H H 53 8.600 8.600 8.434 0.166 18262 7095 1 12 . 1 1 54 54 SER N N 54 115.414 115.414 116.220 -0.806 18262 7096 1 12 . 1 1 54 54 SER HA H 54 4.308 4.308 4.191 0.117 18262 7097 1 12 . 1 1 54 54 SER CA C 54 61.468 61.468 61.009 0.459 18262 7098 1 12 . 1 1 54 54 SER CB C 54 62.950 62.950 63.061 -0.111 18262 7099 1 12 . 1 1 54 54 SER H H 54 8.304 8.304 8.236 0.068 18262 7100 1 12 . 1 1 55 55 LEU N N 55 121.576 121.576 122.659 -1.083 18262 7101 1 12 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.039 0.026 18262 7102 1 12 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.506 0.207 18262 7103 1 12 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.983 0.370 18262 7104 1 12 . 1 1 55 55 LEU H H 55 7.881 7.881 7.726 0.155 18262 7105 1 12 . 1 1 56 56 ALA N N 56 121.244 121.244 119.910 1.334 18262 7106 1 12 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.005 0.227 18262 7107 1 12 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.482 -0.081 18262 7108 1 12 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.289 -0.027 18262 7109 1 12 . 1 1 56 56 ALA H H 56 8.007 8.007 7.597 0.410 18262 7110 1 12 . 1 1 57 57 ALA N N 57 121.370 121.370 120.214 1.156 18262 7111 1 12 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.092 0.121 18262 7112 1 12 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.442 0.074 18262 7113 1 12 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.599 -0.059 18262 7114 1 12 . 1 1 57 57 ALA H H 57 8.026 8.026 7.642 0.384 18262 7115 1 12 . 1 1 58 58 GLN N N 58 114.464 114.464 116.019 -1.555 18262 7116 1 12 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.356 -0.012 18262 7117 1 12 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.186 0.841 18262 7118 1 12 . 1 1 58 58 GLN CB C 58 29.687 29.687 28.761 0.926 18262 7119 1 12 . 1 1 58 58 GLN H H 58 7.759 7.759 7.813 -0.054 18262 7120 1 12 . 1 1 59 59 GLY N N 59 108.318 108.318 110.037 -1.719 18262 7121 1 12 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.697 0.439 18262 7122 1 12 . 1 1 59 59 GLY H H 59 7.905 7.905 7.914 -0.009 18262 7123 1 12 . 1 1 60 60 ARG N N 60 118.325 118.325 121.222 -2.897 18262 7124 1 12 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.680 -0.154 18262 7125 1 12 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.407 0.321 18262 7126 1 12 . 1 1 60 60 ARG CB C 60 31.690 31.690 30.740 0.950 18262 7127 1 12 . 1 1 60 60 ARG H H 60 8.097 8.097 7.747 0.350 18262 7128 1 12 . 1 1 61 61 THR N N 61 116.640 116.640 113.494 3.146 18262 7129 1 12 . 1 1 61 61 THR HA H 61 4.782 4.782 4.378 0.404 18262 7130 1 12 . 1 1 61 61 THR CA C 61 63.339 63.339 62.272 1.067 18262 7131 1 12 . 1 1 61 61 THR CB C 61 68.819 68.819 70.078 -1.259 18262 7132 1 12 . 1 1 61 61 THR H H 61 8.038 8.038 8.167 -0.129 18262 7133 1 12 . 1 1 62 62 SER N N 62 119.882 119.882 114.598 5.284 18262 7134 1 12 . 1 1 62 62 SER HA H 62 4.899 4.899 4.391 0.508 18262 7135 1 12 . 1 1 62 62 SER CA C 62 56.263 56.263 58.250 -1.987 18262 7136 1 12 . 1 1 62 62 SER CB C 62 63.827 63.827 62.981 0.846 18262 7137 1 12 . 1 1 62 62 SER H H 62 7.792 7.792 8.067 -0.275 18262 7138 1 12 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.206 0.093 18262 7139 1 12 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.389 0.427 18262 7140 1 12 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.869 0.348 18262 7141 1 12 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.521 0.026 18262 7142 1 12 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.440 0.755 18262 7143 1 12 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.588 0.482 18262 7144 1 12 . 1 1 65 65 LYS N N 65 121.063 121.063 118.507 2.556 18262 7145 1 12 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.128 0.054 18262 7146 1 12 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.499 0.053 18262 7147 1 12 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.374 0.333 18262 7148 1 12 . 1 1 65 65 LYS H H 65 7.762 7.762 7.905 -0.143 18262 7149 1 12 . 1 1 66 66 LEU N N 66 119.082 119.082 119.066 0.016 18262 7150 1 12 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.401 -0.338 18262 7151 1 12 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.322 0.677 18262 7152 1 12 . 1 1 66 66 LEU CB C 66 41.461 41.461 41.052 0.409 18262 7153 1 12 . 1 1 66 66 LEU H H 66 7.934 7.934 7.642 0.292 18262 7154 1 12 . 1 1 67 67 GLN N N 67 119.220 119.220 115.525 3.695 18262 7155 1 12 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.540 -0.333 18262 7156 1 12 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.333 2.754 18262 7157 1 12 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.461 -0.246 18262 7158 1 12 . 1 1 67 67 GLN H H 67 8.201 8.201 7.703 0.498 18262 7159 1 12 . 1 1 68 68 ALA N N 68 121.749 121.749 122.497 -0.748 18262 7160 1 12 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.384 -0.205 18262 7161 1 12 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.244 1.031 18262 7162 1 12 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.396 -2.291 18262 7163 1 12 . 1 1 68 68 ALA H H 68 7.739 7.739 7.775 -0.036 18262 7164 1 12 . 1 1 69 69 LEU N N 69 120.591 120.591 119.108 1.483 18262 7165 1 12 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.906 0.089 18262 7166 1 12 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.537 0.437 18262 7167 1 12 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.235 0.103 18262 7168 1 12 . 1 1 69 69 LEU H H 69 7.888 7.888 8.784 -0.896 18262 7169 1 12 . 1 1 70 70 ASN N N 70 119.586 119.586 117.425 2.161 18262 7170 1 12 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.185 -0.654 18262 7171 1 12 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.106 0.914 18262 7172 1 12 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.164 0.684 18262 7173 1 12 . 1 1 70 70 ASN H H 70 8.356 8.356 8.211 0.145 18262 7174 1 12 . 1 1 71 71 MET N N 71 117.354 117.354 118.940 -1.586 18262 7175 1 12 . 1 1 71 71 MET HA H 71 4.271 4.271 4.500 -0.229 18262 7176 1 12 . 1 1 71 71 MET CA C 71 59.088 59.088 58.034 1.054 18262 7177 1 12 . 1 1 71 71 MET CB C 71 32.746 32.746 32.758 -0.012 18262 7178 1 12 . 1 1 71 71 MET H H 71 8.207 8.207 7.611 0.596 18262 7179 1 12 . 1 1 72 72 ALA N N 72 123.354 123.354 124.170 -0.816 18262 7180 1 12 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.887 0.187 18262 7181 1 12 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.357 -0.230 18262 7182 1 12 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.291 -0.134 18262 7183 1 12 . 1 1 72 72 ALA H H 72 8.075 8.075 7.792 0.283 18262 7184 1 12 . 1 1 73 73 PHE N N 73 120.968 120.968 116.343 4.625 18262 7185 1 12 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.239 0.279 18262 7186 1 12 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.035 0.397 18262 7187 1 12 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.237 1.360 18262 7188 1 12 . 1 1 73 73 PHE H H 73 8.546 8.546 7.959 0.587 18262 7189 1 12 . 1 1 74 74 ALA N N 74 119.865 119.865 122.907 -3.042 18262 7190 1 12 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.575 0.166 18262 7191 1 12 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.633 0.761 18262 7192 1 12 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.515 2.894 18262 7193 1 12 . 1 1 74 74 ALA H H 74 8.593 8.593 7.299 1.294 18262 7194 1 12 . 1 1 75 75 SER N N 75 112.870 112.870 113.822 -0.952 18262 7195 1 12 . 1 1 75 75 SER HA H 75 3.581 3.581 3.902 -0.321 18262 7196 1 12 . 1 1 75 75 SER CA C 75 61.879 61.879 61.129 0.750 18262 7197 1 12 . 1 1 75 75 SER CB C 75 62.010 62.010 62.206 -0.196 18262 7198 1 12 . 1 1 75 75 SER H H 75 8.501 8.501 8.079 0.422 18262 7199 1 12 . 1 1 76 76 SER N N 76 118.492 118.492 118.165 0.327 18262 7200 1 12 . 1 1 76 76 SER HA H 76 4.301 4.301 4.304 -0.003 18262 7201 1 12 . 1 1 76 76 SER CA C 76 62.748 62.748 61.538 1.210 18262 7202 1 12 . 1 1 76 76 SER CB C 76 63.013 63.013 62.934 0.079 18262 7203 1 12 . 1 1 76 76 SER H H 76 8.152 8.152 7.676 0.476 18262 7204 1 12 . 1 1 77 77 MET N N 77 120.358 120.358 120.780 -0.422 18262 7205 1 12 . 1 1 77 77 MET HA H 77 3.999 3.999 4.236 -0.237 18262 7206 1 12 . 1 1 77 77 MET CA C 77 60.024 60.024 59.012 1.012 18262 7207 1 12 . 1 1 77 77 MET CB C 77 34.657 34.657 32.436 2.221 18262 7208 1 12 . 1 1 77 77 MET H H 77 8.130 8.130 8.217 -0.087 18262 7209 1 12 . 1 1 78 78 ALA N N 78 121.547 121.547 123.316 -1.769 18262 7210 1 12 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.030 -0.104 18262 7211 1 12 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.641 -0.045 18262 7212 1 12 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.936 2.462 18262 7213 1 12 . 1 1 78 78 ALA H H 78 8.534 8.534 8.090 0.444 18262 7214 1 12 . 1 1 79 79 GLU N N 79 116.654 116.654 117.976 -1.322 18262 7215 1 12 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.093 -0.113 18262 7216 1 12 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.888 0.514 18262 7217 1 12 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.686 0.137 18262 7218 1 12 . 1 1 79 79 GLU H H 79 7.557 7.557 7.612 -0.055 18262 7219 1 12 . 1 1 80 80 ILE N N 80 118.293 118.293 119.713 -1.420 18262 7220 1 12 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.845 0.113 18262 7221 1 12 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.669 -0.884 18262 7222 1 12 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.204 0.103 18262 7223 1 12 . 1 1 80 80 ILE H H 80 7.239 7.239 7.407 -0.168 18262 7224 1 12 . 1 1 81 81 ALA N N 81 121.511 121.511 123.285 -1.774 18262 7225 1 12 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.052 -0.092 18262 7226 1 12 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.817 -0.079 18262 7227 1 12 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.528 -0.571 18262 7228 1 12 . 1 1 81 81 ALA H H 81 8.595 8.595 8.632 -0.037 18262 7229 1 12 . 1 1 82 82 ALA N N 82 116.183 116.183 117.215 -1.032 18262 7230 1 12 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.278 0.010 18262 7231 1 12 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.586 1.016 18262 7232 1 12 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.651 0.743 18262 7233 1 12 . 1 1 82 82 ALA H H 82 8.001 8.001 7.818 0.183 18262 7234 1 12 . 1 1 83 83 SER N N 83 113.212 113.212 115.173 -1.961 18262 7235 1 12 . 1 1 83 83 SER HA H 83 4.319 4.319 4.462 -0.143 18262 7236 1 12 . 1 1 83 83 SER CA C 83 59.243 59.243 58.167 1.076 18262 7237 1 12 . 1 1 83 83 SER CB C 83 63.971 63.971 63.917 0.054 18262 7238 1 12 . 1 1 83 83 SER H H 83 7.391 7.391 7.426 -0.035 18262 7239 1 12 . 1 1 84 84 GLU N N 84 123.385 123.385 128.867 -5.482 18262 7240 1 12 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.608 -0.177 18262 7241 1 12 . 1 1 84 84 GLU CA C 84 56.656 56.656 55.512 1.144 18262 7242 1 12 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.036 1.540 18262 7243 1 12 . 1 1 84 84 GLU H H 84 8.421 8.421 8.815 -0.394 18262 7244 1 12 . 1 1 85 85 GLU N N 85 121.674 121.674 120.779 0.895 18262 7245 1 12 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.403 -0.129 18262 7246 1 12 . 1 1 85 85 GLU CA C 85 57.127 57.127 56.135 0.992 18262 7247 1 12 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.681 -0.490 18262 7248 1 12 . 1 1 85 85 GLU H H 85 8.407 8.407 7.425 0.982 18262 7249 1 12 . 1 1 86 86 GLY N N 86 110.617 110.617 107.890 2.727 18262 7250 1 12 . 1 1 86 86 GLY CA C 86 45.724 45.724 46.579 -0.855 18262 7251 1 12 . 1 1 86 86 GLY H H 86 8.564 8.564 8.699 -0.135 18262 7252 1 12 . 1 1 87 87 GLY N N 87 108.562 108.562 113.171 -4.609 18262 7253 1 12 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.843 0.623 18262 7254 1 12 . 1 1 87 87 GLY H H 87 8.257 8.257 7.775 0.482 18262 7255 1 12 . 1 1 88 88 GLY N N 88 107.890 107.890 112.521 -4.631 18262 7256 1 12 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.244 -0.360 18262 7257 1 12 . 1 1 88 88 GLY H H 88 8.100 8.100 8.469 -0.369 18262 7258 1 12 . 1 1 89 89 SER N N 89 115.889 115.889 117.796 -1.907 18262 7259 1 12 . 1 1 89 89 SER HA H 89 4.594 4.594 4.277 0.317 18262 7260 1 12 . 1 1 89 89 SER CA C 89 57.382 57.382 58.320 -0.938 18262 7261 1 12 . 1 1 89 89 SER CB C 89 65.271 65.271 63.929 1.341 18262 7262 1 12 . 1 1 89 89 SER H H 89 8.474 8.474 7.978 0.496 18262 7263 1 12 . 1 1 90 90 LEU N N 90 124.688 124.688 126.202 -1.514 18262 7264 1 12 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.272 -0.148 18262 7265 1 12 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.127 1.433 18262 7266 1 12 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.450 -0.033 18262 7267 1 12 . 1 1 90 90 LEU H H 90 8.867 8.867 8.772 0.095 18262 7268 1 12 . 1 1 91 91 SER N N 91 114.045 114.045 114.933 -0.888 18262 7269 1 12 . 1 1 91 91 SER CA C 91 61.331 61.331 61.549 -0.218 18262 7270 1 12 . 1 1 91 91 SER CB C 91 62.080 62.080 62.087 -0.007 18262 7271 1 12 . 1 1 91 91 SER H H 91 8.501 8.501 8.455 0.046 18262 7272 1 12 . 1 1 92 92 THR N N 92 121.036 121.036 116.727 4.309 18262 7273 1 12 . 1 1 92 92 THR HA H 92 4.006 4.006 4.142 -0.136 18262 7274 1 12 . 1 1 92 92 THR CA C 92 66.537 66.537 65.492 1.045 18262 7275 1 12 . 1 1 92 92 THR CB C 92 68.326 68.326 68.105 0.221 18262 7276 1 12 . 1 1 92 92 THR H H 92 7.818 7.818 8.270 -0.452 18262 7277 1 12 . 1 1 93 93 LYS N N 93 120.426 120.426 121.867 -1.441 18262 7278 1 12 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.814 -0.025 18262 7279 1 12 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.283 1.831 18262 7280 1 12 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.625 1.844 18262 7281 1 12 . 1 1 93 93 LYS H H 93 8.146 8.146 7.688 0.458 18262 7282 1 12 . 1 1 94 94 THR N N 94 111.775 111.775 112.719 -0.944 18262 7283 1 12 . 1 1 94 94 THR HA H 94 3.933 3.933 4.141 -0.208 18262 7284 1 12 . 1 1 94 94 THR CA C 94 67.228 67.228 66.275 0.953 18262 7285 1 12 . 1 1 94 94 THR CB C 94 68.083 68.083 68.393 -0.310 18262 7286 1 12 . 1 1 94 94 THR H H 94 8.881 8.881 7.753 1.128 18262 7287 1 12 . 1 1 95 95 SER N N 95 119.066 119.066 118.614 0.452 18262 7288 1 12 . 1 1 95 95 SER HA H 95 4.397 4.397 4.138 0.259 18262 7289 1 12 . 1 1 95 95 SER CA C 95 62.060 62.060 62.359 -0.299 18262 7290 1 12 . 1 1 95 95 SER CB C 95 62.693 62.693 62.966 -0.273 18262 7291 1 12 . 1 1 95 95 SER H H 95 8.134 8.134 7.733 0.401 18262 7292 1 12 . 1 1 96 96 SER N N 96 121.588 121.588 118.718 2.870 18262 7293 1 12 . 1 1 96 96 SER HA H 96 4.462 4.462 4.326 0.136 18262 7294 1 12 . 1 1 96 96 SER CA C 96 62.623 62.623 62.200 0.423 18262 7295 1 12 . 1 1 96 96 SER CB C 96 62.866 62.866 63.347 -0.481 18262 7296 1 12 . 1 1 96 96 SER H H 96 8.642 8.642 7.660 0.982 18262 7297 1 12 . 1 1 97 97 ILE N N 97 122.467 122.467 122.986 -0.519 18262 7298 1 12 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.794 0.003 18262 7299 1 12 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.951 0.883 18262 7300 1 12 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.833 0.882 18262 7301 1 12 . 1 1 97 97 ILE H H 97 8.482 8.482 8.361 0.121 18262 7302 1 12 . 1 1 98 98 ALA N N 98 122.100 122.100 122.151 -0.051 18262 7303 1 12 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.041 0.013 18262 7304 1 12 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.520 0.708 18262 7305 1 12 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.234 0.183 18262 7306 1 12 . 1 1 98 98 ALA H H 98 8.437 8.437 8.412 0.025 18262 7307 1 12 . 1 1 99 99 SER N N 99 115.737 115.737 115.002 0.735 18262 7308 1 12 . 1 1 99 99 SER HA H 99 4.366 4.366 4.274 0.092 18262 7309 1 12 . 1 1 99 99 SER CA C 99 62.029 62.029 62.128 -0.099 18262 7310 1 12 . 1 1 99 99 SER CB C 99 63.230 63.230 63.122 0.108 18262 7311 1 12 . 1 1 99 99 SER H H 99 8.658 8.658 7.746 0.912 18262 7312 1 12 . 1 1 100 100 ALA N N 100 124.292 124.292 125.580 -1.288 18262 7313 1 12 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.946 0.299 18262 7314 1 12 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.311 0.080 18262 7315 1 12 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.267 0.225 18262 7316 1 12 . 1 1 100 100 ALA H H 100 8.976 8.976 8.601 0.375 18262 7317 1 12 . 1 1 101 101 MET N N 101 119.143 119.143 117.362 1.781 18262 7318 1 12 . 1 1 101 101 MET HA H 101 4.054 4.054 3.998 0.056 18262 7319 1 12 . 1 1 101 101 MET CA C 101 61.026 61.026 59.714 1.312 18262 7320 1 12 . 1 1 101 101 MET CB C 101 34.483 34.483 32.773 1.710 18262 7321 1 12 . 1 1 101 101 MET H H 101 9.063 9.063 8.188 0.875 18262 7322 1 12 . 1 1 102 102 SER N N 102 116.778 116.778 115.881 0.897 18262 7323 1 12 . 1 1 102 102 SER HA H 102 4.363 4.363 4.340 0.023 18262 7324 1 12 . 1 1 102 102 SER CA C 102 63.348 63.348 62.231 1.117 18262 7325 1 12 . 1 1 102 102 SER CB C 102 62.593 62.593 63.223 -0.630 18262 7326 1 12 . 1 1 102 102 SER H H 102 8.693 8.693 8.077 0.616 18262 7327 1 12 . 1 1 103 103 ASN N N 103 117.982 117.982 119.953 -1.971 18262 7328 1 12 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.521 -0.057 18262 7329 1 12 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.085 0.577 18262 7330 1 12 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.582 -0.065 18262 7331 1 12 . 1 1 103 103 ASN H H 103 8.108 8.108 8.555 -0.447 18262 7332 1 12 . 1 1 104 104 ALA N N 104 122.272 122.272 122.525 -0.253 18262 7333 1 12 . 1 1 104 104 ALA HA H 104 4.240 4.240 3.967 0.273 18262 7334 1 12 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.910 -0.067 18262 7335 1 12 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.147 0.086 18262 7336 1 12 . 1 1 104 104 ALA H H 104 7.892 7.892 7.862 0.030 18262 7337 1 12 . 1 1 105 105 PHE N N 105 119.096 119.096 118.752 0.344 18262 7338 1 12 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.436 -0.036 18262 7339 1 12 . 1 1 105 105 PHE CA C 105 63.843 63.843 61.090 2.753 18262 7340 1 12 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.210 0.277 18262 7341 1 12 . 1 1 105 105 PHE H H 105 8.580 8.580 8.184 0.396 18262 7342 1 12 . 1 1 106 106 LEU N N 106 121.540 121.540 118.146 3.394 18262 7343 1 12 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.127 -0.391 18262 7344 1 12 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.463 1.693 18262 7345 1 12 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.494 -0.159 18262 7346 1 12 . 1 1 106 106 LEU H H 106 8.226 8.226 7.580 0.646 18262 7347 1 12 . 1 1 107 107 GLN N N 107 114.603 114.603 117.593 -2.990 18262 7348 1 12 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.272 -0.082 18262 7349 1 12 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.820 -0.402 18262 7350 1 12 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.826 0.665 18262 7351 1 12 . 1 1 107 107 GLN H H 107 8.132 8.132 7.778 0.354 18262 7352 1 12 . 1 1 108 108 THR N N 108 108.290 108.290 112.530 -4.240 18262 7353 1 12 . 1 1 108 108 THR HA H 108 4.518 4.518 4.334 0.184 18262 7354 1 12 . 1 1 108 108 THR CA C 108 62.483 62.483 64.270 -1.788 18262 7355 1 12 . 1 1 108 108 THR CB C 108 70.390 70.390 69.010 1.380 18262 7356 1 12 . 1 1 108 108 THR H H 108 7.726 7.726 7.683 0.043 18262 7357 1 12 . 1 1 109 109 THR N N 109 113.407 113.407 113.526 -0.119 18262 7358 1 12 . 1 1 109 109 THR HA H 109 4.586 4.586 4.528 0.058 18262 7359 1 12 . 1 1 109 109 THR CA C 109 62.325 62.325 61.164 1.161 18262 7360 1 12 . 1 1 109 109 THR CB C 109 70.696 70.696 70.146 0.550 18262 7361 1 12 . 1 1 109 109 THR H H 109 8.907 8.907 7.817 1.090 18262 7362 1 12 . 1 1 110 110 GLY N N 110 109.267 109.267 110.248 -0.981 18262 7363 1 12 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.475 0.093 18262 7364 1 12 . 1 1 110 110 GLY H H 110 8.361 8.361 8.436 -0.075 18262 7365 1 12 . 1 1 111 111 VAL N N 111 119.375 119.375 120.000 -0.625 18262 7366 1 12 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.309 -0.054 18262 7367 1 12 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.940 -0.058 18262 7368 1 12 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.320 1.116 18262 7369 1 12 . 1 1 111 111 VAL H H 111 7.784 7.784 7.312 0.472 18262 7370 1 12 . 1 1 112 112 VAL N N 112 125.327 125.327 126.523 -1.196 18262 7371 1 12 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.801 -0.589 18262 7372 1 12 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.572 3.908 18262 7373 1 12 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.018 -1.322 18262 7374 1 12 . 1 1 112 112 VAL H H 112 8.747 8.747 8.030 0.717 18262 7375 1 12 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.732 -0.230 18262 7376 1 12 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.487 -1.294 18262 7377 1 12 . 1 1 113 113 ASN CB C 113 37.122 37.122 39.287 -2.165 18262 7378 1 12 . 1 1 114 114 GLN N N 114 124.067 124.067 127.656 -3.589 18262 7379 1 12 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.391 -0.454 18262 7380 1 12 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.134 -0.716 18262 7381 1 12 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.143 -0.596 18262 7382 1 12 . 1 1 114 114 GLN H H 114 8.394 8.394 8.850 -0.456 18262 7383 1 12 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.288 -0.038 18262 7384 1 12 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.888 0.784 18262 7385 1 12 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.219 0.080 18262 7386 1 12 . 1 1 116 116 PHE N N 116 117.820 117.820 118.948 -1.128 18262 7387 1 12 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.261 -0.059 18262 7388 1 12 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.403 -0.072 18262 7389 1 12 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.849 0.670 18262 7390 1 12 . 1 1 116 116 PHE H H 116 7.268 7.268 8.236 -0.968 18262 7391 1 12 . 1 1 117 117 ILE N N 117 119.434 119.434 119.517 -0.083 18262 7392 1 12 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.409 0.125 18262 7393 1 12 . 1 1 117 117 ILE CA C 117 65.747 65.747 64.955 0.792 18262 7394 1 12 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.706 0.489 18262 7395 1 12 . 1 1 117 117 ILE H H 117 7.641 7.641 7.405 0.236 18262 7396 1 12 . 1 1 118 118 ASN N N 118 119.834 119.834 118.940 0.894 18262 7397 1 12 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.491 -0.178 18262 7398 1 12 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.983 -0.282 18262 7399 1 12 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.915 -0.394 18262 7400 1 12 . 1 1 118 118 ASN H H 118 8.985 8.985 8.691 0.294 18262 7401 1 12 . 1 1 119 119 GLU N N 119 121.164 121.164 121.989 -0.825 18262 7402 1 12 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.058 -0.035 18262 7403 1 12 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.156 0.481 18262 7404 1 12 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.401 0.315 18262 7405 1 12 . 1 1 119 119 GLU H H 119 8.090 8.090 8.080 0.010 18262 7406 1 12 . 1 1 120 120 ILE N N 120 117.906 117.906 118.395 -0.489 18262 7407 1 12 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.708 0.046 18262 7408 1 12 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.957 -0.989 18262 7409 1 12 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.782 -0.968 18262 7410 1 12 . 1 1 120 120 ILE H H 120 8.025 8.025 8.147 -0.122 18262 7411 1 12 . 1 1 121 121 THR N N 121 112.720 112.720 114.215 -1.495 18262 7412 1 12 . 1 1 121 121 THR HA H 121 3.767 3.767 3.959 -0.192 18262 7413 1 12 . 1 1 121 121 THR CA C 121 67.203 67.203 66.662 0.541 18262 7414 1 12 . 1 1 121 121 THR CB C 121 68.380 68.380 68.096 0.284 18262 7415 1 12 . 1 1 121 121 THR H H 121 8.665 8.665 8.476 0.189 18262 7416 1 12 . 1 1 122 122 GLN N N 122 123.165 123.165 121.271 1.894 18262 7417 1 12 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.102 -0.014 18262 7418 1 12 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.835 0.427 18262 7419 1 12 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.632 -0.471 18262 7420 1 12 . 1 1 122 122 GLN H H 122 8.128 8.128 7.513 0.615 18262 7421 1 12 . 1 1 123 123 LEU N N 123 120.702 120.702 120.867 -0.165 18262 7422 1 12 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.678 0.245 18262 7423 1 12 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.312 -0.194 18262 7424 1 12 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.507 1.483 18262 7425 1 12 . 1 1 123 123 LEU H H 123 8.173 8.173 8.253 -0.080 18262 7426 1 12 . 1 1 124 124 VAL N N 124 118.840 118.840 118.792 0.048 18262 7427 1 12 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.807 -0.192 18262 7428 1 12 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.656 0.668 18262 7429 1 12 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.430 0.123 18262 7430 1 12 . 1 1 124 124 VAL H H 124 8.742 8.742 8.547 0.195 18262 7431 1 12 . 1 1 125 125 SER N N 125 112.613 112.613 114.848 -2.235 18262 7432 1 12 . 1 1 125 125 SER HA H 125 4.050 4.050 4.108 -0.058 18262 7433 1 12 . 1 1 125 125 SER CA C 125 62.568 62.568 62.075 0.493 18262 7434 1 12 . 1 1 125 125 SER CB C 125 62.960 62.960 62.956 0.004 18262 7435 1 12 . 1 1 125 125 SER H H 125 7.883 7.883 7.572 0.311 18262 7436 1 12 . 1 1 126 126 MET N N 126 120.939 120.939 120.886 0.053 18262 7437 1 12 . 1 1 126 126 MET HA H 126 4.052 4.052 4.251 -0.199 18262 7438 1 12 . 1 1 126 126 MET CA C 126 59.009 59.009 57.075 1.934 18262 7439 1 12 . 1 1 126 126 MET CB C 126 32.780 32.780 31.985 0.795 18262 7440 1 12 . 1 1 126 126 MET H H 126 8.091 8.091 7.699 0.392 18262 7441 1 12 . 1 1 127 127 PHE N N 127 118.732 118.732 119.100 -0.368 18262 7442 1 12 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.096 0.369 18262 7443 1 12 . 1 1 127 127 PHE CA C 127 60.596 60.596 61.272 -0.676 18262 7444 1 12 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.644 1.267 18262 7445 1 12 . 1 1 127 127 PHE H H 127 8.755 8.755 8.599 0.156 18262 7446 1 12 . 1 1 128 128 ALA N N 128 121.647 121.647 120.156 1.491 18262 7447 1 12 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.008 0.209 18262 7448 1 12 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.943 -0.439 18262 7449 1 12 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.422 1.135 18262 7450 1 12 . 1 1 128 128 ALA H H 128 8.638 8.638 8.128 0.510 18262 7451 1 12 . 1 1 129 129 GLN N N 129 115.892 115.892 118.495 -2.603 18262 7452 1 12 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.127 0.096 18262 7453 1 12 . 1 1 129 129 GLN CA C 129 57.240 57.240 58.078 -0.838 18262 7454 1 12 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.933 0.444 18262 7455 1 12 . 1 1 129 129 GLN H H 129 7.789 7.789 7.768 0.021 18262 7456 1 12 . 1 1 130 130 ALA N N 130 122.349 122.349 119.488 2.861 18262 7457 1 12 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.405 -0.134 18262 7458 1 12 . 1 1 130 130 ALA CA C 130 53.907 53.907 51.991 1.916 18262 7459 1 12 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.287 -0.302 18262 7460 1 12 . 1 1 130 130 ALA H H 130 7.791 7.791 7.883 -0.092 18262 7461 1 12 . 1 1 131 131 GLY N N 131 106.497 106.497 106.773 -0.276 18262 7462 1 12 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.638 1.134 18262 7463 1 12 . 1 1 131 131 GLY H H 131 8.157 8.157 7.542 0.615 18262 7464 1 12 . 1 1 132 132 MET N N 132 119.229 119.229 116.550 2.679 18262 7465 1 12 . 1 1 132 132 MET HA H 132 4.473 4.473 4.416 0.057 18262 7466 1 12 . 1 1 132 132 MET CA C 132 55.973 55.973 56.594 -0.621 18262 7467 1 12 . 1 1 132 132 MET CB C 132 33.129 33.129 32.984 0.145 18262 7468 1 12 . 1 1 132 132 MET H H 132 7.929 7.929 7.344 0.585 18262 7469 1 12 . 1 1 133 133 ASN N N 133 118.982 118.982 117.696 1.286 18262 7470 1 12 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.830 -0.089 18262 7471 1 12 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.304 0.064 18262 7472 1 12 . 1 1 133 133 ASN CB C 133 39.349 39.349 41.430 -2.081 18262 7473 1 12 . 1 1 133 133 ASN H H 133 8.334 8.334 7.664 0.670 18262 7474 1 12 . 1 1 134 134 ASP N N 134 120.983 120.983 125.080 -4.097 18262 7475 1 12 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.758 -0.115 18262 7476 1 12 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.341 0.166 18262 7477 1 12 . 1 1 134 134 ASP CB C 134 41.283 41.283 39.638 1.645 18262 7478 1 12 . 1 1 134 134 ASP H H 134 8.282 8.282 8.757 -0.475 18262 7479 1 12 . 1 1 135 135 VAL N N 135 119.922 119.922 118.051 1.871 18262 7480 1 12 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.384 -0.187 18262 7481 1 12 . 1 1 135 135 VAL CA C 135 62.327 62.327 62.466 -0.139 18262 7482 1 12 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.921 -0.207 18262 7483 1 12 . 1 1 135 135 VAL H H 135 8.080 8.080 8.056 0.024 18262 7484 1 12 . 1 1 136 136 SER N N 136 119.994 119.994 117.925 2.069 18262 7485 1 12 . 1 1 136 136 SER HA H 136 4.459 4.459 4.416 0.043 18262 7486 1 12 . 1 1 136 136 SER CA C 136 58.412 58.412 58.901 -0.489 18262 7487 1 12 . 1 1 136 136 SER CB C 136 64.068 64.068 63.492 0.576 18262 7488 1 12 . 1 1 136 136 SER H H 136 8.397 8.397 8.530 -0.133 18262 7489 1 13 . 1 1 3 3 GLY CA C 3 45.270 45.270 45.464 -0.194 18262 7490 1 13 . 1 1 4 4 ASN N N 4 124.122 124.122 119.524 4.598 18262 7491 1 13 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.235 2.592 18262 7492 1 13 . 1 1 4 4 ASN H H 4 7.979 7.979 8.478 -0.499 18262 7493 1 13 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.494 0.198 18262 7494 1 13 . 1 1 6 6 HIS CA C 6 56.068 56.068 56.511 -0.443 18262 7495 1 13 . 1 1 6 6 HIS CB C 6 31.102 31.102 29.083 2.019 18262 7496 1 13 . 1 1 7 7 THR N N 7 115.462 115.462 123.047 -7.585 18262 7497 1 13 . 1 1 7 7 THR HA H 7 4.312 4.312 4.583 -0.271 18262 7498 1 13 . 1 1 7 7 THR CA C 7 62.316 62.316 60.807 1.509 18262 7499 1 13 . 1 1 7 7 THR CB C 7 69.849 69.849 71.481 -1.632 18262 7500 1 13 . 1 1 7 7 THR H H 7 8.132 8.132 7.698 0.434 18262 7501 1 13 . 1 1 8 8 THR N N 8 115.752 115.752 114.519 1.233 18262 7502 1 13 . 1 1 8 8 THR HA H 8 4.164 4.164 4.431 -0.267 18262 7503 1 13 . 1 1 8 8 THR CA C 8 58.419 58.419 57.909 0.510 18262 7504 1 13 . 1 1 8 8 THR CB C 8 69.385 69.385 69.263 0.123 18262 7505 1 13 . 1 1 8 8 THR H H 8 7.981 7.981 8.158 -0.177 18262 7506 1 13 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.044 -0.092 18262 7507 1 13 . 1 1 9 9 PRO CA C 9 63.035 63.035 62.924 0.111 18262 7508 1 13 . 1 1 9 9 PRO CB C 9 30.659 30.659 29.965 0.694 18262 7509 1 13 . 1 1 10 10 TRP N N 10 111.703 111.703 116.478 -4.775 18262 7510 1 13 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.706 0.190 18262 7511 1 13 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.575 -1.106 18262 7512 1 13 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.278 1.968 18262 7513 1 13 . 1 1 10 10 TRP H H 10 6.710 6.710 7.213 -0.503 18262 7514 1 13 . 1 1 11 11 THR N N 11 106.459 106.459 112.183 -5.724 18262 7515 1 13 . 1 1 11 11 THR HA H 11 3.893 3.893 4.194 -0.301 18262 7516 1 13 . 1 1 11 11 THR CA C 11 64.050 64.050 64.138 -0.088 18262 7517 1 13 . 1 1 11 11 THR CB C 11 69.312 69.312 69.104 0.208 18262 7518 1 13 . 1 1 11 11 THR H H 11 7.197 7.197 7.399 -0.202 18262 7519 1 13 . 1 1 12 12 ASN N N 12 116.465 116.465 118.877 -2.412 18262 7520 1 13 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.176 -0.068 18262 7521 1 13 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.551 0.774 18262 7522 1 13 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.265 0.364 18262 7523 1 13 . 1 1 12 12 ASN H H 12 7.285 7.285 7.828 -0.543 18262 7524 1 13 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.287 -0.088 18262 7525 1 13 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.550 -0.039 18262 7526 1 13 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.043 0.509 18262 7527 1 13 . 1 1 14 14 GLY N N 14 109.155 109.155 107.182 1.973 18262 7528 1 13 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.846 0.308 18262 7529 1 13 . 1 1 14 14 GLY H H 14 8.364 8.364 8.505 -0.141 18262 7530 1 13 . 1 1 15 15 LEU N N 15 124.654 124.654 122.933 1.721 18262 7531 1 13 . 1 1 15 15 LEU HA H 15 4.337 4.337 3.918 0.419 18262 7532 1 13 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.148 0.399 18262 7533 1 13 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.511 0.159 18262 7534 1 13 . 1 1 15 15 LEU H H 15 7.910 7.910 8.003 -0.093 18262 7535 1 13 . 1 1 16 16 ALA N N 16 121.271 121.271 122.971 -1.700 18262 7536 1 13 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.101 -0.097 18262 7537 1 13 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.242 1.188 18262 7538 1 13 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.686 0.767 18262 7539 1 13 . 1 1 16 16 ALA H H 16 8.440 8.440 8.492 -0.052 18262 7540 1 13 . 1 1 17 17 GLU N N 17 117.125 117.125 118.168 -1.043 18262 7541 1 13 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.050 -0.089 18262 7542 1 13 . 1 1 17 17 GLU CA C 17 59.613 59.613 58.942 0.671 18262 7543 1 13 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.221 0.781 18262 7544 1 13 . 1 1 17 17 GLU H H 17 7.971 7.971 8.581 -0.610 18262 7545 1 13 . 1 1 18 18 ASN N N 18 118.526 118.526 119.244 -0.718 18262 7546 1 13 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.545 -0.002 18262 7547 1 13 . 1 1 18 18 ASN CA C 18 56.296 56.296 55.807 0.489 18262 7548 1 13 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.300 0.022 18262 7549 1 13 . 1 1 18 18 ASN H H 18 8.071 8.071 8.258 -0.187 18262 7550 1 13 . 1 1 19 19 PHE N N 19 122.197 122.197 123.830 -1.633 18262 7551 1 13 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.068 -0.193 18262 7552 1 13 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.687 0.613 18262 7553 1 13 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.911 0.588 18262 7554 1 13 . 1 1 19 19 PHE H H 19 9.658 9.658 8.852 0.806 18262 7555 1 13 . 1 1 20 20 MET N N 20 118.488 118.488 117.967 0.521 18262 7556 1 13 . 1 1 20 20 MET HA H 20 4.432 4.432 3.964 0.468 18262 7557 1 13 . 1 1 20 20 MET CA C 20 57.732 57.732 57.775 -0.043 18262 7558 1 13 . 1 1 20 20 MET CB C 20 31.999 31.999 31.224 0.775 18262 7559 1 13 . 1 1 20 20 MET H H 20 8.874 8.874 8.611 0.263 18262 7560 1 13 . 1 1 21 21 ASN N N 21 118.434 118.434 118.863 -0.429 18262 7561 1 13 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.434 0.105 18262 7562 1 13 . 1 1 21 21 ASN CA C 21 56.268 56.268 57.051 -0.783 18262 7563 1 13 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.425 -0.439 18262 7564 1 13 . 1 1 21 21 ASN H H 21 8.468 8.468 8.541 -0.073 18262 7565 1 13 . 1 1 22 22 SER N N 22 116.181 116.181 116.525 -0.344 18262 7566 1 13 . 1 1 22 22 SER HA H 22 4.193 4.193 4.170 0.023 18262 7567 1 13 . 1 1 22 22 SER CA C 22 62.195 62.195 62.013 0.182 18262 7568 1 13 . 1 1 22 22 SER CB C 22 62.997 62.997 63.094 -0.097 18262 7569 1 13 . 1 1 22 22 SER H H 22 7.936 7.936 8.331 -0.395 18262 7570 1 13 . 1 1 23 23 PHE N N 23 125.045 125.045 124.351 0.694 18262 7571 1 13 . 1 1 23 23 PHE HA H 23 4.014 4.014 3.997 0.017 18262 7572 1 13 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.019 -0.555 18262 7573 1 13 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.859 0.110 18262 7574 1 13 . 1 1 23 23 PHE H H 23 9.054 9.054 8.460 0.594 18262 7575 1 13 . 1 1 24 24 MET N N 24 117.336 117.336 119.523 -2.187 18262 7576 1 13 . 1 1 24 24 MET HA H 24 4.029 4.029 3.611 0.418 18262 7577 1 13 . 1 1 24 24 MET CA C 24 56.117 56.117 59.677 -3.560 18262 7578 1 13 . 1 1 24 24 MET CB C 24 30.378 30.378 32.604 -2.226 18262 7579 1 13 . 1 1 24 24 MET H H 24 8.314 8.314 8.828 -0.514 18262 7580 1 13 . 1 1 25 25 GLN N N 25 120.286 120.286 116.928 3.358 18262 7581 1 13 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.068 -0.086 18262 7582 1 13 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.298 0.908 18262 7583 1 13 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.257 0.047 18262 7584 1 13 . 1 1 25 25 GLN H H 25 8.044 8.044 8.314 -0.270 18262 7585 1 13 . 1 1 26 26 GLY N N 26 107.817 107.817 107.691 0.126 18262 7586 1 13 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.427 0.591 18262 7587 1 13 . 1 1 26 26 GLY H H 26 8.101 8.101 8.221 -0.120 18262 7588 1 13 . 1 1 27 27 LEU N N 27 122.926 122.926 122.552 0.374 18262 7589 1 13 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.968 -0.182 18262 7590 1 13 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.599 0.795 18262 7591 1 13 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.236 0.872 18262 7592 1 13 . 1 1 27 27 LEU H H 27 8.391 8.391 8.258 0.133 18262 7593 1 13 . 1 1 28 28 SER N N 28 109.497 109.497 113.341 -3.844 18262 7594 1 13 . 1 1 28 28 SER HA H 28 4.150 4.150 4.235 -0.085 18262 7595 1 13 . 1 1 28 28 SER CA C 28 61.223 61.223 60.632 0.591 18262 7596 1 13 . 1 1 28 28 SER CB C 28 63.390 63.390 62.896 0.494 18262 7597 1 13 . 1 1 28 28 SER H H 28 7.519 7.519 7.646 -0.128 18262 7598 1 13 . 1 1 29 29 SER N N 29 114.590 114.590 114.432 0.158 18262 7599 1 13 . 1 1 29 29 SER HA H 29 4.739 4.739 4.456 0.283 18262 7600 1 13 . 1 1 29 29 SER CA C 29 58.035 58.035 58.105 -0.070 18262 7601 1 13 . 1 1 29 29 SER CB C 29 64.626 64.626 63.781 0.845 18262 7602 1 13 . 1 1 29 29 SER H H 29 7.451 7.451 7.521 -0.070 18262 7603 1 13 . 1 1 30 30 MET N N 30 122.408 122.408 123.487 -1.079 18262 7604 1 13 . 1 1 30 30 MET HA H 30 4.946 4.946 4.791 0.155 18262 7605 1 13 . 1 1 30 30 MET CA C 30 53.633 53.633 52.391 1.242 18262 7606 1 13 . 1 1 30 30 MET CB C 30 32.300 32.300 31.361 0.939 18262 7607 1 13 . 1 1 30 30 MET H H 30 7.659 7.659 7.367 0.292 18262 7608 1 13 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.546 0.122 18262 7609 1 13 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.371 -0.421 18262 7610 1 13 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.816 -0.004 18262 7611 1 13 . 1 1 32 32 GLY N N 32 106.245 106.245 108.228 -1.983 18262 7612 1 13 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.847 0.944 18262 7613 1 13 . 1 1 32 32 GLY H H 32 8.407 8.407 8.568 -0.161 18262 7614 1 13 . 1 1 33 33 PHE N N 33 116.330 116.330 120.162 -3.832 18262 7615 1 13 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.764 0.393 18262 7616 1 13 . 1 1 33 33 PHE CA C 33 56.933 56.933 58.032 -1.099 18262 7617 1 13 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.439 0.673 18262 7618 1 13 . 1 1 33 33 PHE H H 33 7.865 7.865 7.456 0.409 18262 7619 1 13 . 1 1 34 34 THR N N 34 113.680 113.680 113.279 0.401 18262 7620 1 13 . 1 1 34 34 THR HA H 34 4.544 4.544 4.694 -0.150 18262 7621 1 13 . 1 1 34 34 THR CA C 34 60.409 60.409 60.424 -0.015 18262 7622 1 13 . 1 1 34 34 THR CB C 34 70.714 70.714 71.225 -0.511 18262 7623 1 13 . 1 1 34 34 THR H H 34 8.895 8.895 8.183 0.712 18262 7624 1 13 . 1 1 35 35 ALA N N 35 123.074 123.074 125.076 -2.002 18262 7625 1 13 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.122 -0.037 18262 7626 1 13 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.252 0.645 18262 7627 1 13 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.500 -0.332 18262 7628 1 13 . 1 1 35 35 ALA H H 35 8.880 8.880 8.697 0.183 18262 7629 1 13 . 1 1 36 36 SER N N 36 112.915 112.915 112.784 0.131 18262 7630 1 13 . 1 1 36 36 SER HA H 36 4.273 4.273 4.173 0.100 18262 7631 1 13 . 1 1 36 36 SER CA C 36 61.473 61.473 61.317 0.156 18262 7632 1 13 . 1 1 36 36 SER CB C 36 62.441 62.441 62.980 -0.539 18262 7633 1 13 . 1 1 36 36 SER H H 36 8.413 8.413 8.584 -0.171 18262 7634 1 13 . 1 1 37 37 GLN N N 37 121.627 121.627 120.380 1.247 18262 7635 1 13 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.338 -0.062 18262 7636 1 13 . 1 1 37 37 GLN CA C 37 58.708 58.708 57.697 1.011 18262 7637 1 13 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.806 0.387 18262 7638 1 13 . 1 1 37 37 GLN H H 37 7.639 7.639 7.671 -0.032 18262 7639 1 13 . 1 1 38 38 LEU N N 38 119.757 119.757 120.841 -1.084 18262 7640 1 13 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.967 -0.140 18262 7641 1 13 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.187 0.812 18262 7642 1 13 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.252 -0.226 18262 7643 1 13 . 1 1 38 38 LEU H H 38 8.351 8.351 7.884 0.467 18262 7644 1 13 . 1 1 39 39 ASP N N 39 122.097 122.097 120.615 1.482 18262 7645 1 13 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.283 0.153 18262 7646 1 13 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.603 -0.823 18262 7647 1 13 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.750 -0.378 18262 7648 1 13 . 1 1 39 39 ASP H H 39 7.962 7.962 7.719 0.243 18262 7649 1 13 . 1 1 40 40 ASP N N 40 122.033 122.033 118.803 3.230 18262 7650 1 13 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.400 0.090 18262 7651 1 13 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.915 0.975 18262 7652 1 13 . 1 1 40 40 ASP CB C 40 40.260 40.260 40.829 -0.569 18262 7653 1 13 . 1 1 40 40 ASP H H 40 8.052 8.052 7.879 0.173 18262 7654 1 13 . 1 1 41 41 MET N N 41 121.130 121.130 118.448 2.682 18262 7655 1 13 . 1 1 41 41 MET HA H 41 4.191 4.191 4.137 0.054 18262 7656 1 13 . 1 1 41 41 MET CA C 41 57.798 57.798 57.796 0.002 18262 7657 1 13 . 1 1 41 41 MET CB C 41 31.529 31.529 31.189 0.339 18262 7658 1 13 . 1 1 41 41 MET H H 41 8.708 8.708 7.815 0.893 18262 7659 1 13 . 1 1 42 42 SER N N 42 116.303 116.303 115.230 1.073 18262 7660 1 13 . 1 1 42 42 SER HA H 42 4.301 4.301 4.292 0.009 18262 7661 1 13 . 1 1 42 42 SER CA C 42 62.145 62.145 61.356 0.789 18262 7662 1 13 . 1 1 42 42 SER CB C 42 62.835 62.835 62.818 0.017 18262 7663 1 13 . 1 1 42 42 SER H H 42 8.364 8.364 8.148 0.216 18262 7664 1 13 . 1 1 43 43 THR N N 43 119.136 119.136 119.471 -0.335 18262 7665 1 13 . 1 1 43 43 THR HA H 43 4.051 4.051 3.980 0.071 18262 7666 1 13 . 1 1 43 43 THR CA C 43 66.673 66.673 67.109 -0.437 18262 7667 1 13 . 1 1 43 43 THR CB C 43 68.635 68.635 68.791 -0.156 18262 7668 1 13 . 1 1 43 43 THR H H 43 7.944 7.944 7.440 0.504 18262 7669 1 13 . 1 1 44 44 ILE N N 44 122.789 122.789 121.932 0.857 18262 7670 1 13 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.666 0.282 18262 7671 1 13 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.466 -0.819 18262 7672 1 13 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.472 0.575 18262 7673 1 13 . 1 1 44 44 ILE H H 44 7.856 7.856 8.176 -0.320 18262 7674 1 13 . 1 1 45 45 ALA N N 45 124.903 124.903 120.171 4.732 18262 7675 1 13 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.148 -0.014 18262 7676 1 13 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.774 1.305 18262 7677 1 13 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.377 0.601 18262 7678 1 13 . 1 1 45 45 ALA H H 45 8.868 8.868 8.346 0.522 18262 7679 1 13 . 1 1 46 46 GLN N N 46 116.435 116.435 117.488 -1.053 18262 7680 1 13 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.345 -0.281 18262 7681 1 13 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.439 1.534 18262 7682 1 13 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.303 -0.983 18262 7683 1 13 . 1 1 46 46 GLN H H 46 8.253 8.253 7.534 0.719 18262 7684 1 13 . 1 1 47 47 SER N N 47 116.211 116.211 115.943 0.268 18262 7685 1 13 . 1 1 47 47 SER HA H 47 4.249 4.249 4.163 0.086 18262 7686 1 13 . 1 1 47 47 SER CA C 47 61.766 61.766 61.363 0.403 18262 7687 1 13 . 1 1 47 47 SER CB C 47 62.874 62.874 63.141 -0.266 18262 7688 1 13 . 1 1 47 47 SER H H 47 8.242 8.242 8.379 -0.137 18262 7689 1 13 . 1 1 48 48 MET N N 48 122.179 122.179 121.158 1.021 18262 7690 1 13 . 1 1 48 48 MET HA H 48 4.109 4.109 4.152 -0.043 18262 7691 1 13 . 1 1 48 48 MET CA C 48 57.695 57.695 58.340 -0.645 18262 7692 1 13 . 1 1 48 48 MET CB C 48 31.370 31.370 32.129 -0.759 18262 7693 1 13 . 1 1 48 48 MET H H 48 8.198 8.198 8.198 0.000 18262 7694 1 13 . 1 1 49 49 VAL N N 49 118.918 118.918 116.711 2.207 18262 7695 1 13 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.717 -0.438 18262 7696 1 13 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.057 1.880 18262 7697 1 13 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.198 0.355 18262 7698 1 13 . 1 1 49 49 VAL H H 49 7.791 7.791 8.111 -0.320 18262 7699 1 13 . 1 1 50 50 GLN N N 50 118.407 118.407 119.056 -0.649 18262 7700 1 13 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.939 0.153 18262 7701 1 13 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.016 0.111 18262 7702 1 13 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.047 0.156 18262 7703 1 13 . 1 1 50 50 GLN H H 50 8.206 8.206 7.711 0.495 18262 7704 1 13 . 1 1 51 51 SER N N 51 117.680 117.680 115.823 1.857 18262 7705 1 13 . 1 1 51 51 SER HA H 51 4.209 4.209 4.184 0.025 18262 7706 1 13 . 1 1 51 51 SER CA C 51 62.766 62.766 61.866 0.900 18262 7707 1 13 . 1 1 51 51 SER CB C 51 63.014 63.014 62.851 0.163 18262 7708 1 13 . 1 1 51 51 SER H H 51 8.394 8.394 7.649 0.745 18262 7709 1 13 . 1 1 52 52 ILE N N 52 123.233 123.233 120.383 2.850 18262 7710 1 13 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.710 -0.147 18262 7711 1 13 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.323 0.557 18262 7712 1 13 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.468 0.403 18262 7713 1 13 . 1 1 52 52 ILE H H 52 8.135 8.135 7.345 0.790 18262 7714 1 13 . 1 1 53 53 GLN N N 53 119.911 119.911 119.012 0.899 18262 7715 1 13 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.032 -0.107 18262 7716 1 13 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.597 0.974 18262 7717 1 13 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.430 -0.497 18262 7718 1 13 . 1 1 53 53 GLN H H 53 8.600 8.600 8.350 0.250 18262 7719 1 13 . 1 1 54 54 SER N N 54 115.414 115.414 113.829 1.585 18262 7720 1 13 . 1 1 54 54 SER HA H 54 4.308 4.308 4.348 -0.040 18262 7721 1 13 . 1 1 54 54 SER CA C 54 61.468 61.468 60.745 0.723 18262 7722 1 13 . 1 1 54 54 SER CB C 54 62.950 62.950 63.445 -0.495 18262 7723 1 13 . 1 1 54 54 SER H H 54 8.304 8.304 7.748 0.556 18262 7724 1 13 . 1 1 55 55 LEU N N 55 121.576 121.576 122.601 -1.025 18262 7725 1 13 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.083 -0.018 18262 7726 1 13 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.718 -0.005 18262 7727 1 13 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.981 0.372 18262 7728 1 13 . 1 1 55 55 LEU H H 55 7.881 7.881 8.562 -0.681 18262 7729 1 13 . 1 1 56 56 ALA N N 56 121.244 121.244 119.356 1.888 18262 7730 1 13 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.164 0.068 18262 7731 1 13 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.741 0.660 18262 7732 1 13 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.500 -0.238 18262 7733 1 13 . 1 1 56 56 ALA H H 56 8.007 8.007 7.919 0.088 18262 7734 1 13 . 1 1 57 57 ALA N N 57 121.370 121.370 118.679 2.691 18262 7735 1 13 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.461 -0.248 18262 7736 1 13 . 1 1 57 57 ALA CA C 57 54.516 54.516 52.853 1.663 18262 7737 1 13 . 1 1 57 57 ALA CB C 57 18.540 18.540 20.079 -1.539 18262 7738 1 13 . 1 1 57 57 ALA H H 57 8.026 8.026 7.684 0.342 18262 7739 1 13 . 1 1 58 58 GLN N N 58 114.464 114.464 116.962 -2.498 18262 7740 1 13 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.423 -0.079 18262 7741 1 13 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.677 0.350 18262 7742 1 13 . 1 1 58 58 GLN CB C 58 29.687 29.687 30.791 -1.103 18262 7743 1 13 . 1 1 58 58 GLN H H 58 7.759 7.759 8.058 -0.299 18262 7744 1 13 . 1 1 59 59 GLY N N 59 108.318 108.318 109.372 -1.054 18262 7745 1 13 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.952 1.185 18262 7746 1 13 . 1 1 59 59 GLY H H 59 7.905 7.905 8.137 -0.232 18262 7747 1 13 . 1 1 60 60 ARG N N 60 118.325 118.325 120.146 -1.821 18262 7748 1 13 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.583 -0.057 18262 7749 1 13 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.474 0.254 18262 7750 1 13 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.459 0.231 18262 7751 1 13 . 1 1 60 60 ARG H H 60 8.097 8.097 8.276 -0.179 18262 7752 1 13 . 1 1 61 61 THR N N 61 116.640 116.640 118.638 -1.998 18262 7753 1 13 . 1 1 61 61 THR HA H 61 4.782 4.782 4.361 0.421 18262 7754 1 13 . 1 1 61 61 THR CA C 61 63.339 63.339 62.163 1.176 18262 7755 1 13 . 1 1 61 61 THR CB C 61 68.819 68.819 69.236 -0.416 18262 7756 1 13 . 1 1 61 61 THR H H 61 8.038 8.038 8.358 -0.320 18262 7757 1 13 . 1 1 62 62 SER N N 62 119.882 119.882 115.996 3.886 18262 7758 1 13 . 1 1 62 62 SER HA H 62 4.899 4.899 4.243 0.656 18262 7759 1 13 . 1 1 62 62 SER CA C 62 56.263 56.263 58.392 -2.129 18262 7760 1 13 . 1 1 62 62 SER CB C 62 63.827 63.827 62.790 1.037 18262 7761 1 13 . 1 1 62 62 SER H H 62 7.792 7.792 7.954 -0.162 18262 7762 1 13 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.221 0.078 18262 7763 1 13 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.204 0.612 18262 7764 1 13 . 1 1 63 63 PRO CB C 63 32.217 32.217 32.018 0.199 18262 7765 1 13 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.503 0.044 18262 7766 1 13 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.158 0.036 18262 7767 1 13 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.610 0.460 18262 7768 1 13 . 1 1 65 65 LYS N N 65 121.063 121.063 121.213 -0.150 18262 7769 1 13 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.100 0.082 18262 7770 1 13 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.631 -0.079 18262 7771 1 13 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.064 0.643 18262 7772 1 13 . 1 1 65 65 LYS H H 65 7.762 7.762 7.608 0.154 18262 7773 1 13 . 1 1 66 66 LEU N N 66 119.082 119.082 116.276 2.806 18262 7774 1 13 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.273 -0.210 18262 7775 1 13 . 1 1 66 66 LEU CA C 66 57.998 57.998 56.656 1.342 18262 7776 1 13 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.775 0.686 18262 7777 1 13 . 1 1 66 66 LEU H H 66 7.934 7.934 7.700 0.234 18262 7778 1 13 . 1 1 67 67 GLN N N 67 119.220 119.220 115.274 3.946 18262 7779 1 13 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.534 -0.327 18262 7780 1 13 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.742 2.345 18262 7781 1 13 . 1 1 67 67 GLN CB C 67 28.215 28.215 29.419 -1.204 18262 7782 1 13 . 1 1 67 67 GLN H H 67 8.201 8.201 7.707 0.494 18262 7783 1 13 . 1 1 68 68 ALA N N 68 121.749 121.749 122.390 -0.641 18262 7784 1 13 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.383 -0.204 18262 7785 1 13 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.232 1.043 18262 7786 1 13 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.466 -2.361 18262 7787 1 13 . 1 1 68 68 ALA H H 68 7.739 7.739 7.832 -0.093 18262 7788 1 13 . 1 1 69 69 LEU N N 69 120.591 120.591 119.436 1.155 18262 7789 1 13 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.784 0.211 18262 7790 1 13 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.762 0.212 18262 7791 1 13 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.086 0.252 18262 7792 1 13 . 1 1 69 69 LEU H H 69 7.888 7.888 8.751 -0.863 18262 7793 1 13 . 1 1 70 70 ASN N N 70 119.586 119.586 117.679 1.907 18262 7794 1 13 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.065 -0.534 18262 7795 1 13 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.155 0.865 18262 7796 1 13 . 1 1 70 70 ASN CB C 70 38.848 38.848 37.987 0.861 18262 7797 1 13 . 1 1 70 70 ASN H H 70 8.356 8.356 8.232 0.124 18262 7798 1 13 . 1 1 71 71 MET N N 71 117.354 117.354 118.697 -1.343 18262 7799 1 13 . 1 1 71 71 MET HA H 71 4.271 4.271 4.501 -0.230 18262 7800 1 13 . 1 1 71 71 MET CA C 71 59.088 59.088 57.932 1.156 18262 7801 1 13 . 1 1 71 71 MET CB C 71 32.746 32.746 32.573 0.173 18262 7802 1 13 . 1 1 71 71 MET H H 71 8.207 8.207 7.498 0.709 18262 7803 1 13 . 1 1 72 72 ALA N N 72 123.354 123.354 123.761 -0.407 18262 7804 1 13 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.927 0.147 18262 7805 1 13 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.222 -0.095 18262 7806 1 13 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.047 0.110 18262 7807 1 13 . 1 1 72 72 ALA H H 72 8.075 8.075 7.822 0.253 18262 7808 1 13 . 1 1 73 73 PHE N N 73 120.968 120.968 116.477 4.491 18262 7809 1 13 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.359 0.159 18262 7810 1 13 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.417 1.015 18262 7811 1 13 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.941 1.656 18262 7812 1 13 . 1 1 73 73 PHE H H 73 8.546 8.546 7.875 0.671 18262 7813 1 13 . 1 1 74 74 ALA N N 74 119.865 119.865 122.617 -2.752 18262 7814 1 13 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.521 0.220 18262 7815 1 13 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.518 0.876 18262 7816 1 13 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.885 2.524 18262 7817 1 13 . 1 1 74 74 ALA H H 74 8.593 8.593 7.169 1.424 18262 7818 1 13 . 1 1 75 75 SER N N 75 112.870 112.870 113.710 -0.840 18262 7819 1 13 . 1 1 75 75 SER HA H 75 3.581 3.581 3.955 -0.374 18262 7820 1 13 . 1 1 75 75 SER CA C 75 61.879 61.879 60.621 1.258 18262 7821 1 13 . 1 1 75 75 SER CB C 75 62.010 62.010 62.149 -0.139 18262 7822 1 13 . 1 1 75 75 SER H H 75 8.501 8.501 7.949 0.552 18262 7823 1 13 . 1 1 76 76 SER N N 76 118.492 118.492 117.972 0.520 18262 7824 1 13 . 1 1 76 76 SER HA H 76 4.301 4.301 4.194 0.107 18262 7825 1 13 . 1 1 76 76 SER CA C 76 62.748 62.748 61.750 0.998 18262 7826 1 13 . 1 1 76 76 SER CB C 76 63.013 63.013 63.130 -0.117 18262 7827 1 13 . 1 1 76 76 SER H H 76 8.152 8.152 7.618 0.534 18262 7828 1 13 . 1 1 77 77 MET N N 77 120.358 120.358 120.301 0.057 18262 7829 1 13 . 1 1 77 77 MET HA H 77 3.999 3.999 4.335 -0.336 18262 7830 1 13 . 1 1 77 77 MET CA C 77 60.024 60.024 58.965 1.059 18262 7831 1 13 . 1 1 77 77 MET CB C 77 34.657 34.657 32.435 2.222 18262 7832 1 13 . 1 1 77 77 MET H H 77 8.130 8.130 8.410 -0.280 18262 7833 1 13 . 1 1 78 78 ALA N N 78 121.547 121.547 121.690 -0.143 18262 7834 1 13 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.066 -0.140 18262 7835 1 13 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.790 -0.194 18262 7836 1 13 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.074 2.325 18262 7837 1 13 . 1 1 78 78 ALA H H 78 8.534 8.534 7.904 0.630 18262 7838 1 13 . 1 1 79 79 GLU N N 79 116.654 116.654 118.089 -1.435 18262 7839 1 13 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.104 -0.124 18262 7840 1 13 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.849 0.553 18262 7841 1 13 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.134 0.688 18262 7842 1 13 . 1 1 79 79 GLU H H 79 7.557 7.557 7.779 -0.222 18262 7843 1 13 . 1 1 80 80 ILE N N 80 118.293 118.293 119.596 -1.303 18262 7844 1 13 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.785 0.173 18262 7845 1 13 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.647 -0.862 18262 7846 1 13 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.111 0.196 18262 7847 1 13 . 1 1 80 80 ILE H H 80 7.239 7.239 7.195 0.044 18262 7848 1 13 . 1 1 81 81 ALA N N 81 121.511 121.511 122.903 -1.392 18262 7849 1 13 . 1 1 81 81 ALA HA H 81 3.960 3.960 3.953 0.007 18262 7850 1 13 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.650 0.088 18262 7851 1 13 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.571 -0.614 18262 7852 1 13 . 1 1 81 81 ALA H H 81 8.595 8.595 8.502 0.093 18262 7853 1 13 . 1 1 82 82 ALA N N 82 116.183 116.183 117.291 -1.108 18262 7854 1 13 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.382 -0.094 18262 7855 1 13 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.420 1.181 18262 7856 1 13 . 1 1 82 82 ALA CB C 82 19.394 19.394 17.935 1.459 18262 7857 1 13 . 1 1 82 82 ALA H H 82 8.001 8.001 7.958 0.043 18262 7858 1 13 . 1 1 83 83 SER N N 83 113.212 113.212 114.763 -1.551 18262 7859 1 13 . 1 1 83 83 SER HA H 83 4.319 4.319 4.351 -0.032 18262 7860 1 13 . 1 1 83 83 SER CA C 83 59.243 59.243 58.831 0.412 18262 7861 1 13 . 1 1 83 83 SER CB C 83 63.971 63.971 63.654 0.317 18262 7862 1 13 . 1 1 83 83 SER H H 83 7.391 7.391 7.605 -0.214 18262 7863 1 13 . 1 1 84 84 GLU N N 84 123.385 123.385 117.183 6.202 18262 7864 1 13 . 1 1 84 84 GLU HA H 84 4.431 4.431 3.936 0.495 18262 7865 1 13 . 1 1 84 84 GLU CA C 84 56.656 56.656 57.597 -0.941 18262 7866 1 13 . 1 1 84 84 GLU CB C 84 30.576 30.576 28.204 2.372 18262 7867 1 13 . 1 1 84 84 GLU H H 84 8.421 8.421 8.209 0.212 18262 7868 1 13 . 1 1 85 85 GLU N N 85 121.674 121.674 119.122 2.552 18262 7869 1 13 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.431 -0.157 18262 7870 1 13 . 1 1 85 85 GLU CA C 85 57.127 57.127 56.533 0.594 18262 7871 1 13 . 1 1 85 85 GLU CB C 85 30.191 30.191 31.040 -0.849 18262 7872 1 13 . 1 1 85 85 GLU H H 85 8.407 8.407 8.068 0.339 18262 7873 1 13 . 1 1 86 86 GLY N N 86 110.617 110.617 106.537 4.080 18262 7874 1 13 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.785 -0.061 18262 7875 1 13 . 1 1 86 86 GLY H H 86 8.564 8.564 8.523 0.041 18262 7876 1 13 . 1 1 87 87 GLY N N 87 108.562 108.562 108.602 -0.040 18262 7877 1 13 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.320 1.146 18262 7878 1 13 . 1 1 87 87 GLY H H 87 8.257 8.257 8.422 -0.165 18262 7879 1 13 . 1 1 88 88 GLY N N 88 107.890 107.890 107.279 0.611 18262 7880 1 13 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.999 -0.116 18262 7881 1 13 . 1 1 88 88 GLY H H 88 8.100 8.100 8.040 0.060 18262 7882 1 13 . 1 1 89 89 SER N N 89 115.889 115.889 115.257 0.632 18262 7883 1 13 . 1 1 89 89 SER HA H 89 4.594 4.594 4.454 0.140 18262 7884 1 13 . 1 1 89 89 SER CA C 89 57.382 57.382 57.030 0.352 18262 7885 1 13 . 1 1 89 89 SER CB C 89 65.271 65.271 64.913 0.358 18262 7886 1 13 . 1 1 89 89 SER H H 89 8.474 8.474 8.212 0.262 18262 7887 1 13 . 1 1 90 90 LEU N N 90 124.688 124.688 120.282 4.406 18262 7888 1 13 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.099 0.025 18262 7889 1 13 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.342 2.218 18262 7890 1 13 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.462 -0.044 18262 7891 1 13 . 1 1 90 90 LEU H H 90 8.867 8.867 8.511 0.356 18262 7892 1 13 . 1 1 91 91 SER N N 91 114.045 114.045 114.649 -0.604 18262 7893 1 13 . 1 1 91 91 SER CA C 91 61.331 61.331 61.330 0.001 18262 7894 1 13 . 1 1 91 91 SER CB C 91 62.080 62.080 63.064 -0.984 18262 7895 1 13 . 1 1 91 91 SER H H 91 8.501 8.501 7.680 0.821 18262 7896 1 13 . 1 1 92 92 THR N N 92 121.036 121.036 115.733 5.303 18262 7897 1 13 . 1 1 92 92 THR HA H 92 4.006 4.006 4.400 -0.394 18262 7898 1 13 . 1 1 92 92 THR CA C 92 66.537 66.537 64.718 1.819 18262 7899 1 13 . 1 1 92 92 THR CB C 92 68.326 68.326 69.014 -0.689 18262 7900 1 13 . 1 1 92 92 THR H H 92 7.818 7.818 7.479 0.339 18262 7901 1 13 . 1 1 93 93 LYS N N 93 120.426 120.426 122.865 -2.439 18262 7902 1 13 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.894 -0.105 18262 7903 1 13 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.197 1.917 18262 7904 1 13 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.745 1.724 18262 7905 1 13 . 1 1 93 93 LYS H H 93 8.146 8.146 7.385 0.761 18262 7906 1 13 . 1 1 94 94 THR N N 94 111.775 111.775 112.243 -0.468 18262 7907 1 13 . 1 1 94 94 THR HA H 94 3.933 3.933 4.217 -0.284 18262 7908 1 13 . 1 1 94 94 THR CA C 94 67.228 67.228 66.462 0.766 18262 7909 1 13 . 1 1 94 94 THR CB C 94 68.083 68.083 68.307 -0.224 18262 7910 1 13 . 1 1 94 94 THR H H 94 8.881 8.881 8.293 0.588 18262 7911 1 13 . 1 1 95 95 SER N N 95 119.066 119.066 118.334 0.732 18262 7912 1 13 . 1 1 95 95 SER HA H 95 4.397 4.397 4.224 0.173 18262 7913 1 13 . 1 1 95 95 SER CA C 95 62.060 62.060 62.355 -0.295 18262 7914 1 13 . 1 1 95 95 SER CB C 95 62.693 62.693 62.671 0.022 18262 7915 1 13 . 1 1 95 95 SER H H 95 8.134 8.134 8.283 -0.149 18262 7916 1 13 . 1 1 96 96 SER N N 96 121.588 121.588 118.150 3.438 18262 7917 1 13 . 1 1 96 96 SER HA H 96 4.462 4.462 4.326 0.136 18262 7918 1 13 . 1 1 96 96 SER CA C 96 62.623 62.623 61.765 0.858 18262 7919 1 13 . 1 1 96 96 SER CB C 96 62.866 62.866 63.019 -0.153 18262 7920 1 13 . 1 1 96 96 SER H H 96 8.642 8.642 7.805 0.837 18262 7921 1 13 . 1 1 97 97 ILE N N 97 122.467 122.467 124.384 -1.917 18262 7922 1 13 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.826 -0.029 18262 7923 1 13 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.606 1.228 18262 7924 1 13 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.754 0.961 18262 7925 1 13 . 1 1 97 97 ILE H H 97 8.482 8.482 7.825 0.657 18262 7926 1 13 . 1 1 98 98 ALA N N 98 122.100 122.100 121.979 0.121 18262 7927 1 13 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.032 0.022 18262 7928 1 13 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.477 0.750 18262 7929 1 13 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.259 0.158 18262 7930 1 13 . 1 1 98 98 ALA H H 98 8.437 8.437 8.413 0.024 18262 7931 1 13 . 1 1 99 99 SER N N 99 115.737 115.737 115.137 0.600 18262 7932 1 13 . 1 1 99 99 SER HA H 99 4.366 4.366 4.208 0.158 18262 7933 1 13 . 1 1 99 99 SER CA C 99 62.029 62.029 62.356 -0.327 18262 7934 1 13 . 1 1 99 99 SER CB C 99 63.230 63.230 62.997 0.233 18262 7935 1 13 . 1 1 99 99 SER H H 99 8.658 8.658 8.112 0.546 18262 7936 1 13 . 1 1 100 100 ALA N N 100 124.292 124.292 125.107 -0.815 18262 7937 1 13 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.962 0.283 18262 7938 1 13 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.221 0.170 18262 7939 1 13 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.208 0.284 18262 7940 1 13 . 1 1 100 100 ALA H H 100 8.976 8.976 8.478 0.498 18262 7941 1 13 . 1 1 101 101 MET N N 101 119.143 119.143 117.901 1.242 18262 7942 1 13 . 1 1 101 101 MET HA H 101 4.054 4.054 4.037 0.017 18262 7943 1 13 . 1 1 101 101 MET CA C 101 61.026 61.026 59.879 1.147 18262 7944 1 13 . 1 1 101 101 MET CB C 101 34.483 34.483 32.714 1.770 18262 7945 1 13 . 1 1 101 101 MET H H 101 9.063 9.063 8.430 0.633 18262 7946 1 13 . 1 1 102 102 SER N N 102 116.778 116.778 115.862 0.916 18262 7947 1 13 . 1 1 102 102 SER HA H 102 4.363 4.363 4.275 0.088 18262 7948 1 13 . 1 1 102 102 SER CA C 102 63.348 63.348 62.078 1.270 18262 7949 1 13 . 1 1 102 102 SER CB C 102 62.593 62.593 63.171 -0.578 18262 7950 1 13 . 1 1 102 102 SER H H 102 8.693 8.693 8.350 0.343 18262 7951 1 13 . 1 1 103 103 ASN N N 103 117.982 117.982 120.025 -2.043 18262 7952 1 13 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.578 -0.114 18262 7953 1 13 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.848 0.814 18262 7954 1 13 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.409 0.108 18262 7955 1 13 . 1 1 103 103 ASN H H 103 8.108 8.108 8.386 -0.278 18262 7956 1 13 . 1 1 104 104 ALA N N 104 122.272 122.272 122.778 -0.506 18262 7957 1 13 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.014 0.226 18262 7958 1 13 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.185 -0.342 18262 7959 1 13 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.176 0.057 18262 7960 1 13 . 1 1 104 104 ALA H H 104 7.892 7.892 8.315 -0.423 18262 7961 1 13 . 1 1 105 105 PHE N N 105 119.096 119.096 120.212 -1.116 18262 7962 1 13 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.445 -0.045 18262 7963 1 13 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.950 3.893 18262 7964 1 13 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.017 0.470 18262 7965 1 13 . 1 1 105 105 PHE H H 105 8.580 8.580 8.831 -0.251 18262 7966 1 13 . 1 1 106 106 LEU N N 106 121.540 121.540 118.595 2.945 18262 7967 1 13 . 1 1 106 106 LEU HA H 106 3.736 3.736 3.877 -0.141 18262 7968 1 13 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.966 1.190 18262 7969 1 13 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.655 -0.320 18262 7970 1 13 . 1 1 106 106 LEU H H 106 8.226 8.226 7.668 0.558 18262 7971 1 13 . 1 1 107 107 GLN N N 107 114.603 114.603 117.061 -2.458 18262 7972 1 13 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.241 -0.051 18262 7973 1 13 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.189 -0.771 18262 7974 1 13 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.317 1.174 18262 7975 1 13 . 1 1 107 107 GLN H H 107 8.132 8.132 8.362 -0.230 18262 7976 1 13 . 1 1 108 108 THR N N 108 108.290 108.290 110.351 -2.061 18262 7977 1 13 . 1 1 108 108 THR HA H 108 4.518 4.518 4.471 0.047 18262 7978 1 13 . 1 1 108 108 THR CA C 108 62.483 62.483 63.641 -1.157 18262 7979 1 13 . 1 1 108 108 THR CB C 108 70.390 70.390 69.568 0.822 18262 7980 1 13 . 1 1 108 108 THR H H 108 7.726 7.726 7.713 0.013 18262 7981 1 13 . 1 1 109 109 THR N N 109 113.407 113.407 113.188 0.219 18262 7982 1 13 . 1 1 109 109 THR HA H 109 4.586 4.586 4.528 0.058 18262 7983 1 13 . 1 1 109 109 THR CA C 109 62.325 62.325 61.570 0.755 18262 7984 1 13 . 1 1 109 109 THR CB C 109 70.696 70.696 70.171 0.525 18262 7985 1 13 . 1 1 109 109 THR H H 109 8.907 8.907 8.050 0.857 18262 7986 1 13 . 1 1 110 110 GLY N N 110 109.267 109.267 109.890 -0.623 18262 7987 1 13 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.633 -0.065 18262 7988 1 13 . 1 1 110 110 GLY H H 110 8.361 8.361 8.079 0.282 18262 7989 1 13 . 1 1 111 111 VAL N N 111 119.375 119.375 120.858 -1.483 18262 7990 1 13 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.105 0.150 18262 7991 1 13 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.815 0.067 18262 7992 1 13 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.389 2.046 18262 7993 1 13 . 1 1 111 111 VAL H H 111 7.784 7.784 7.576 0.208 18262 7994 1 13 . 1 1 112 112 VAL N N 112 125.327 125.327 123.337 1.990 18262 7995 1 13 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.333 -0.121 18262 7996 1 13 . 1 1 112 112 VAL CA C 112 64.479 64.479 59.787 4.692 18262 7997 1 13 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.520 -1.824 18262 7998 1 13 . 1 1 112 112 VAL H H 112 8.747 8.747 8.091 0.656 18262 7999 1 13 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.784 -0.282 18262 8000 1 13 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.615 -1.423 18262 8001 1 13 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.596 -1.474 18262 8002 1 13 . 1 1 114 114 GLN N N 114 124.067 124.067 128.939 -4.872 18262 8003 1 13 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.361 -0.424 18262 8004 1 13 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.176 -0.758 18262 8005 1 13 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.930 -0.383 18262 8006 1 13 . 1 1 114 114 GLN H H 114 8.394 8.394 8.920 -0.526 18262 8007 1 13 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.212 0.038 18262 8008 1 13 . 1 1 115 115 PRO CA C 115 66.672 66.672 66.131 0.541 18262 8009 1 13 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.235 0.063 18262 8010 1 13 . 1 1 116 116 PHE N N 116 117.820 117.820 118.811 -0.991 18262 8011 1 13 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.253 -0.051 18262 8012 1 13 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.496 -0.165 18262 8013 1 13 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.055 0.464 18262 8014 1 13 . 1 1 116 116 PHE H H 116 7.268 7.268 8.369 -1.101 18262 8015 1 13 . 1 1 117 117 ILE N N 117 119.434 119.434 119.529 -0.095 18262 8016 1 13 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.407 0.127 18262 8017 1 13 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.214 0.533 18262 8018 1 13 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.626 0.569 18262 8019 1 13 . 1 1 117 117 ILE H H 117 7.641 7.641 7.965 -0.324 18262 8020 1 13 . 1 1 118 118 ASN N N 118 119.834 119.834 118.816 1.018 18262 8021 1 13 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.508 -0.195 18262 8022 1 13 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.683 0.018 18262 8023 1 13 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.990 -0.469 18262 8024 1 13 . 1 1 118 118 ASN H H 118 8.985 8.985 8.372 0.613 18262 8025 1 13 . 1 1 119 119 GLU N N 119 121.164 121.164 122.102 -0.938 18262 8026 1 13 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.025 -0.002 18262 8027 1 13 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.304 0.333 18262 8028 1 13 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.781 -0.065 18262 8029 1 13 . 1 1 119 119 GLU H H 119 8.090 8.090 8.170 -0.080 18262 8030 1 13 . 1 1 120 120 ILE N N 120 117.906 117.906 118.617 -0.711 18262 8031 1 13 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.668 0.086 18262 8032 1 13 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.042 -1.074 18262 8033 1 13 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.764 -0.950 18262 8034 1 13 . 1 1 120 120 ILE H H 120 8.025 8.025 8.358 -0.333 18262 8035 1 13 . 1 1 121 121 THR N N 121 112.720 112.720 113.874 -1.154 18262 8036 1 13 . 1 1 121 121 THR HA H 121 3.767 3.767 3.901 -0.134 18262 8037 1 13 . 1 1 121 121 THR CA C 121 67.203 67.203 66.474 0.729 18262 8038 1 13 . 1 1 121 121 THR CB C 121 68.380 68.380 68.147 0.233 18262 8039 1 13 . 1 1 121 121 THR H H 121 8.665 8.665 7.943 0.722 18262 8040 1 13 . 1 1 122 122 GLN N N 122 123.165 123.165 121.883 1.282 18262 8041 1 13 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.079 0.009 18262 8042 1 13 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.807 0.455 18262 8043 1 13 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.630 -0.469 18262 8044 1 13 . 1 1 122 122 GLN H H 122 8.128 8.128 7.590 0.538 18262 8045 1 13 . 1 1 123 123 LEU N N 123 120.702 120.702 120.921 -0.219 18262 8046 1 13 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.647 0.276 18262 8047 1 13 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.078 0.040 18262 8048 1 13 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.602 1.389 18262 8049 1 13 . 1 1 123 123 LEU H H 123 8.173 8.173 8.336 -0.163 18262 8050 1 13 . 1 1 124 124 VAL N N 124 118.840 118.840 119.496 -0.656 18262 8051 1 13 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.778 -0.163 18262 8052 1 13 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.403 0.921 18262 8053 1 13 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.337 0.216 18262 8054 1 13 . 1 1 124 124 VAL H H 124 8.742 8.742 8.666 0.076 18262 8055 1 13 . 1 1 125 125 SER N N 125 112.613 112.613 116.173 -3.560 18262 8056 1 13 . 1 1 125 125 SER HA H 125 4.050 4.050 4.123 -0.073 18262 8057 1 13 . 1 1 125 125 SER CA C 125 62.568 62.568 61.919 0.649 18262 8058 1 13 . 1 1 125 125 SER CB C 125 62.960 62.960 62.851 0.109 18262 8059 1 13 . 1 1 125 125 SER H H 125 7.883 7.883 7.797 0.086 18262 8060 1 13 . 1 1 126 126 MET N N 126 120.939 120.939 120.959 -0.020 18262 8061 1 13 . 1 1 126 126 MET HA H 126 4.052 4.052 4.143 -0.091 18262 8062 1 13 . 1 1 126 126 MET CA C 126 59.009 59.009 57.937 1.072 18262 8063 1 13 . 1 1 126 126 MET CB C 126 32.780 32.780 32.260 0.520 18262 8064 1 13 . 1 1 126 126 MET H H 126 8.091 8.091 7.887 0.204 18262 8065 1 13 . 1 1 127 127 PHE N N 127 118.732 118.732 117.571 1.161 18262 8066 1 13 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.280 0.185 18262 8067 1 13 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.510 1.086 18262 8068 1 13 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.500 1.411 18262 8069 1 13 . 1 1 127 127 PHE H H 127 8.755 8.755 8.408 0.347 18262 8070 1 13 . 1 1 128 128 ALA N N 128 121.647 121.647 122.045 -0.398 18262 8071 1 13 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.055 0.162 18262 8072 1 13 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.619 -0.115 18262 8073 1 13 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.470 1.087 18262 8074 1 13 . 1 1 128 128 ALA H H 128 8.638 8.638 7.755 0.883 18262 8075 1 13 . 1 1 129 129 GLN N N 129 115.892 115.892 120.106 -4.214 18262 8076 1 13 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.143 0.080 18262 8077 1 13 . 1 1 129 129 GLN CA C 129 57.240 57.240 58.151 -0.911 18262 8078 1 13 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.759 0.618 18262 8079 1 13 . 1 1 129 129 GLN H H 129 7.789 7.789 7.890 -0.101 18262 8080 1 13 . 1 1 130 130 ALA N N 130 122.349 122.349 119.511 2.838 18262 8081 1 13 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.530 -0.259 18262 8082 1 13 . 1 1 130 130 ALA CA C 130 53.907 53.907 50.895 3.012 18262 8083 1 13 . 1 1 130 130 ALA CB C 130 18.985 18.985 18.786 0.199 18262 8084 1 13 . 1 1 130 130 ALA H H 130 7.791 7.791 8.252 -0.461 18262 8085 1 13 . 1 1 131 131 GLY N N 131 106.497 106.497 108.115 -1.618 18262 8086 1 13 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.950 0.822 18262 8087 1 13 . 1 1 131 131 GLY H H 131 8.157 8.157 7.736 0.421 18262 8088 1 13 . 1 1 132 132 MET N N 132 119.229 119.229 120.738 -1.509 18262 8089 1 13 . 1 1 132 132 MET HA H 132 4.473 4.473 4.544 -0.071 18262 8090 1 13 . 1 1 132 132 MET CA C 132 55.973 55.973 54.552 1.421 18262 8091 1 13 . 1 1 132 132 MET CB C 132 33.129 33.129 32.173 0.956 18262 8092 1 13 . 1 1 132 132 MET H H 132 7.929 7.929 7.648 0.281 18262 8093 1 13 . 1 1 133 133 ASN N N 133 118.982 118.982 120.320 -1.338 18262 8094 1 13 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.740 0.001 18262 8095 1 13 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.051 0.317 18262 8096 1 13 . 1 1 133 133 ASN CB C 133 39.349 39.349 40.048 -0.700 18262 8097 1 13 . 1 1 133 133 ASN H H 133 8.334 8.334 7.902 0.432 18262 8098 1 13 . 1 1 134 134 ASP N N 134 120.983 120.983 124.915 -3.932 18262 8099 1 13 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.686 -0.043 18262 8100 1 13 . 1 1 134 134 ASP CA C 134 54.507 54.507 55.044 -0.537 18262 8101 1 13 . 1 1 134 134 ASP CB C 134 41.283 41.283 39.719 1.564 18262 8102 1 13 . 1 1 134 134 ASP H H 134 8.282 8.282 8.800 -0.518 18262 8103 1 13 . 1 1 135 135 VAL N N 135 119.922 119.922 121.219 -1.297 18262 8104 1 13 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.114 0.083 18262 8105 1 13 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.553 -1.226 18262 8106 1 13 . 1 1 135 135 VAL CB C 135 32.714 32.714 33.097 -0.383 18262 8107 1 13 . 1 1 135 135 VAL H H 135 8.080 8.080 8.023 0.057 18262 8108 1 13 . 1 1 136 136 SER N N 136 119.994 119.994 115.121 4.873 18262 8109 1 13 . 1 1 136 136 SER HA H 136 4.459 4.459 4.646 -0.187 18262 8110 1 13 . 1 1 136 136 SER CA C 136 58.412 58.412 58.290 0.122 18262 8111 1 13 . 1 1 136 136 SER CB C 136 64.068 64.068 63.568 0.500 18262 8112 1 13 . 1 1 136 136 SER H H 136 8.397 8.397 8.301 0.096 18262 8113 1 14 . 1 1 3 3 GLY CA C 3 45.270 45.270 45.609 -0.340 18262 8114 1 14 . 1 1 4 4 ASN N N 4 124.122 124.122 119.725 4.397 18262 8115 1 14 . 1 1 4 4 ASN CA C 4 54.827 54.827 54.847 -0.020 18262 8116 1 14 . 1 1 4 4 ASN H H 4 7.979 7.979 8.623 -0.644 18262 8117 1 14 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.910 -0.218 18262 8118 1 14 . 1 1 6 6 HIS CA C 6 56.068 56.068 53.770 2.298 18262 8119 1 14 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.407 0.695 18262 8120 1 14 . 1 1 7 7 THR N N 7 115.462 115.462 122.140 -6.678 18262 8121 1 14 . 1 1 7 7 THR HA H 7 4.312 4.312 4.197 0.115 18262 8122 1 14 . 1 1 7 7 THR CA C 7 62.316 62.316 63.136 -0.820 18262 8123 1 14 . 1 1 7 7 THR CB C 7 69.849 69.849 69.389 0.460 18262 8124 1 14 . 1 1 7 7 THR H H 7 8.132 8.132 8.456 -0.324 18262 8125 1 14 . 1 1 8 8 THR N N 8 115.752 115.752 116.802 -1.050 18262 8126 1 14 . 1 1 8 8 THR HA H 8 4.164 4.164 4.324 -0.160 18262 8127 1 14 . 1 1 8 8 THR CA C 8 58.419 58.419 58.352 0.067 18262 8128 1 14 . 1 1 8 8 THR CB C 8 69.385 69.385 69.153 0.231 18262 8129 1 14 . 1 1 8 8 THR H H 8 7.981 7.981 7.688 0.293 18262 8130 1 14 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.019 -0.067 18262 8131 1 14 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.044 -0.009 18262 8132 1 14 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.597 0.062 18262 8133 1 14 . 1 1 10 10 TRP N N 10 111.703 111.703 114.420 -2.717 18262 8134 1 14 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.719 0.177 18262 8135 1 14 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.905 -1.436 18262 8136 1 14 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.193 3.053 18262 8137 1 14 . 1 1 10 10 TRP H H 10 6.710 6.710 7.157 -0.447 18262 8138 1 14 . 1 1 11 11 THR N N 11 106.459 106.459 110.647 -4.188 18262 8139 1 14 . 1 1 11 11 THR HA H 11 3.893 3.893 4.150 -0.257 18262 8140 1 14 . 1 1 11 11 THR CA C 11 64.050 64.050 63.567 0.483 18262 8141 1 14 . 1 1 11 11 THR CB C 11 69.312 69.312 68.919 0.393 18262 8142 1 14 . 1 1 11 11 THR H H 11 7.197 7.197 7.373 -0.176 18262 8143 1 14 . 1 1 12 12 ASN N N 12 116.465 116.465 119.883 -3.418 18262 8144 1 14 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.189 -0.081 18262 8145 1 14 . 1 1 12 12 ASN CA C 12 51.325 51.325 51.101 0.224 18262 8146 1 14 . 1 1 12 12 ASN CB C 12 40.629 40.629 41.163 -0.534 18262 8147 1 14 . 1 1 12 12 ASN H H 12 7.285 7.285 7.589 -0.304 18262 8148 1 14 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.291 -0.092 18262 8149 1 14 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.766 -0.255 18262 8150 1 14 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.023 0.529 18262 8151 1 14 . 1 1 14 14 GLY N N 14 109.155 109.155 107.259 1.896 18262 8152 1 14 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.011 0.143 18262 8153 1 14 . 1 1 14 14 GLY H H 14 8.364 8.364 8.622 -0.258 18262 8154 1 14 . 1 1 15 15 LEU N N 15 124.654 124.654 123.182 1.472 18262 8155 1 14 . 1 1 15 15 LEU HA H 15 4.337 4.337 3.864 0.473 18262 8156 1 14 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.218 0.329 18262 8157 1 14 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.522 0.148 18262 8158 1 14 . 1 1 15 15 LEU H H 15 7.910 7.910 8.063 -0.153 18262 8159 1 14 . 1 1 16 16 ALA N N 16 121.271 121.271 122.620 -1.349 18262 8160 1 14 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.054 -0.050 18262 8161 1 14 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.176 1.254 18262 8162 1 14 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.289 1.164 18262 8163 1 14 . 1 1 16 16 ALA H H 16 8.440 8.440 8.587 -0.147 18262 8164 1 14 . 1 1 17 17 GLU N N 17 117.125 117.125 119.797 -2.672 18262 8165 1 14 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.960 0.001 18262 8166 1 14 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.436 0.177 18262 8167 1 14 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.371 0.631 18262 8168 1 14 . 1 1 17 17 GLU H H 17 7.971 7.971 8.546 -0.575 18262 8169 1 14 . 1 1 18 18 ASN N N 18 118.526 118.526 118.365 0.161 18262 8170 1 14 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.440 0.103 18262 8171 1 14 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.964 -0.668 18262 8172 1 14 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.623 -0.301 18262 8173 1 14 . 1 1 18 18 ASN H H 18 8.071 8.071 8.162 -0.091 18262 8174 1 14 . 1 1 19 19 PHE N N 19 122.197 122.197 122.928 -0.731 18262 8175 1 14 . 1 1 19 19 PHE HA H 19 3.875 3.875 3.962 -0.087 18262 8176 1 14 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.682 0.618 18262 8177 1 14 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.827 0.672 18262 8178 1 14 . 1 1 19 19 PHE H H 19 9.658 9.658 8.864 0.794 18262 8179 1 14 . 1 1 20 20 MET N N 20 118.488 118.488 118.046 0.442 18262 8180 1 14 . 1 1 20 20 MET HA H 20 4.432 4.432 3.792 0.640 18262 8181 1 14 . 1 1 20 20 MET CA C 20 57.732 57.732 57.493 0.239 18262 8182 1 14 . 1 1 20 20 MET CB C 20 31.999 31.999 31.385 0.614 18262 8183 1 14 . 1 1 20 20 MET H H 20 8.874 8.874 8.698 0.176 18262 8184 1 14 . 1 1 21 21 ASN N N 21 118.434 118.434 118.808 -0.374 18262 8185 1 14 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.428 0.111 18262 8186 1 14 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.934 -0.666 18262 8187 1 14 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.675 -0.688 18262 8188 1 14 . 1 1 21 21 ASN H H 21 8.468 8.468 8.724 -0.256 18262 8189 1 14 . 1 1 22 22 SER N N 22 116.181 116.181 115.596 0.585 18262 8190 1 14 . 1 1 22 22 SER HA H 22 4.193 4.193 4.161 0.032 18262 8191 1 14 . 1 1 22 22 SER CA C 22 62.195 62.195 61.781 0.414 18262 8192 1 14 . 1 1 22 22 SER CB C 22 62.997 62.997 63.044 -0.046 18262 8193 1 14 . 1 1 22 22 SER H H 22 7.936 7.936 8.133 -0.197 18262 8194 1 14 . 1 1 23 23 PHE N N 23 125.045 125.045 123.289 1.756 18262 8195 1 14 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.087 -0.073 18262 8196 1 14 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.169 -0.705 18262 8197 1 14 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.875 0.094 18262 8198 1 14 . 1 1 23 23 PHE H H 23 9.054 9.054 7.789 1.265 18262 8199 1 14 . 1 1 24 24 MET N N 24 117.336 117.336 117.705 -0.369 18262 8200 1 14 . 1 1 24 24 MET HA H 24 4.029 4.029 3.833 0.196 18262 8201 1 14 . 1 1 24 24 MET CA C 24 56.117 56.117 58.106 -1.989 18262 8202 1 14 . 1 1 24 24 MET CB C 24 30.378 30.378 31.563 -1.185 18262 8203 1 14 . 1 1 24 24 MET H H 24 8.314 8.314 8.768 -0.454 18262 8204 1 14 . 1 1 25 25 GLN N N 25 120.286 120.286 118.018 2.268 18262 8205 1 14 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.140 -0.158 18262 8206 1 14 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.725 0.481 18262 8207 1 14 . 1 1 25 25 GLN CB C 25 28.304 28.304 27.973 0.331 18262 8208 1 14 . 1 1 25 25 GLN H H 25 8.044 8.044 8.495 -0.451 18262 8209 1 14 . 1 1 26 26 GLY N N 26 107.817 107.817 108.137 -0.320 18262 8210 1 14 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.250 0.768 18262 8211 1 14 . 1 1 26 26 GLY H H 26 8.101 8.101 7.558 0.543 18262 8212 1 14 . 1 1 27 27 LEU N N 27 122.926 122.926 122.941 -0.015 18262 8213 1 14 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.896 -0.110 18262 8214 1 14 . 1 1 27 27 LEU CA C 27 57.394 57.394 57.304 0.090 18262 8215 1 14 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.462 0.646 18262 8216 1 14 . 1 1 27 27 LEU H H 27 8.391 8.391 8.343 0.048 18262 8217 1 14 . 1 1 28 28 SER N N 28 109.497 109.497 112.786 -3.289 18262 8218 1 14 . 1 1 28 28 SER HA H 28 4.150 4.150 4.297 -0.147 18262 8219 1 14 . 1 1 28 28 SER CA C 28 61.223 61.223 60.419 0.804 18262 8220 1 14 . 1 1 28 28 SER CB C 28 63.390 63.390 63.099 0.291 18262 8221 1 14 . 1 1 28 28 SER H H 28 7.519 7.519 7.789 -0.270 18262 8222 1 14 . 1 1 29 29 SER N N 29 114.590 114.590 115.298 -0.708 18262 8223 1 14 . 1 1 29 29 SER HA H 29 4.739 4.739 4.517 0.222 18262 8224 1 14 . 1 1 29 29 SER CA C 29 58.035 58.035 59.174 -1.139 18262 8225 1 14 . 1 1 29 29 SER CB C 29 64.626 64.626 64.080 0.546 18262 8226 1 14 . 1 1 29 29 SER H H 29 7.451 7.451 7.617 -0.166 18262 8227 1 14 . 1 1 30 30 MET N N 30 122.408 122.408 122.006 0.402 18262 8228 1 14 . 1 1 30 30 MET HA H 30 4.946 4.946 4.859 0.087 18262 8229 1 14 . 1 1 30 30 MET CA C 30 53.633 53.633 52.944 0.689 18262 8230 1 14 . 1 1 30 30 MET CB C 30 32.300 32.300 32.903 -0.603 18262 8231 1 14 . 1 1 30 30 MET H H 30 7.659 7.659 7.607 0.052 18262 8232 1 14 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.409 0.260 18262 8233 1 14 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.584 -0.634 18262 8234 1 14 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.518 0.294 18262 8235 1 14 . 1 1 32 32 GLY N N 32 106.245 106.245 107.970 -1.725 18262 8236 1 14 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.105 0.686 18262 8237 1 14 . 1 1 32 32 GLY H H 32 8.407 8.407 8.581 -0.174 18262 8238 1 14 . 1 1 33 33 PHE N N 33 116.330 116.330 122.512 -6.182 18262 8239 1 14 . 1 1 33 33 PHE HA H 33 5.157 5.157 5.083 0.074 18262 8240 1 14 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.027 -0.094 18262 8241 1 14 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.953 1.159 18262 8242 1 14 . 1 1 33 33 PHE H H 33 7.865 7.865 7.384 0.481 18262 8243 1 14 . 1 1 34 34 THR N N 34 113.680 113.680 116.323 -2.643 18262 8244 1 14 . 1 1 34 34 THR HA H 34 4.544 4.544 4.499 0.045 18262 8245 1 14 . 1 1 34 34 THR CA C 34 60.409 60.409 59.868 0.541 18262 8246 1 14 . 1 1 34 34 THR CB C 34 70.714 70.714 70.266 0.448 18262 8247 1 14 . 1 1 34 34 THR H H 34 8.895 8.895 8.344 0.551 18262 8248 1 14 . 1 1 35 35 ALA N N 35 123.074 123.074 126.416 -3.342 18262 8249 1 14 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.033 0.052 18262 8250 1 14 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.328 0.569 18262 8251 1 14 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.580 -0.412 18262 8252 1 14 . 1 1 35 35 ALA H H 35 8.880 8.880 8.644 0.236 18262 8253 1 14 . 1 1 36 36 SER N N 36 112.915 112.915 113.028 -0.113 18262 8254 1 14 . 1 1 36 36 SER HA H 36 4.273 4.273 4.104 0.169 18262 8255 1 14 . 1 1 36 36 SER CA C 36 61.473 61.473 61.768 -0.295 18262 8256 1 14 . 1 1 36 36 SER CB C 36 62.441 62.441 62.940 -0.499 18262 8257 1 14 . 1 1 36 36 SER H H 36 8.413 8.413 8.584 -0.171 18262 8258 1 14 . 1 1 37 37 GLN N N 37 121.627 121.627 120.883 0.744 18262 8259 1 14 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.209 0.067 18262 8260 1 14 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.586 0.122 18262 8261 1 14 . 1 1 37 37 GLN CB C 37 29.193 29.193 29.242 -0.049 18262 8262 1 14 . 1 1 37 37 GLN H H 37 7.639 7.639 8.028 -0.389 18262 8263 1 14 . 1 1 38 38 LEU N N 38 119.757 119.757 120.414 -0.657 18262 8264 1 14 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.997 -0.170 18262 8265 1 14 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.470 1.529 18262 8266 1 14 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.470 0.556 18262 8267 1 14 . 1 1 38 38 LEU H H 38 8.351 8.351 7.942 0.409 18262 8268 1 14 . 1 1 39 39 ASP N N 39 122.097 122.097 119.735 2.362 18262 8269 1 14 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.257 0.179 18262 8270 1 14 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.078 -0.298 18262 8271 1 14 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.941 -0.569 18262 8272 1 14 . 1 1 39 39 ASP H H 39 7.962 7.962 8.294 -0.332 18262 8273 1 14 . 1 1 40 40 ASP N N 40 122.033 122.033 118.408 3.625 18262 8274 1 14 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.474 0.016 18262 8275 1 14 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.673 1.217 18262 8276 1 14 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.155 -0.895 18262 8277 1 14 . 1 1 40 40 ASP H H 40 8.052 8.052 7.481 0.571 18262 8278 1 14 . 1 1 41 41 MET N N 41 121.130 121.130 119.407 1.723 18262 8279 1 14 . 1 1 41 41 MET HA H 41 4.191 4.191 4.014 0.177 18262 8280 1 14 . 1 1 41 41 MET CA C 41 57.798 57.798 59.795 -1.997 18262 8281 1 14 . 1 1 41 41 MET CB C 41 31.529 31.529 32.431 -0.902 18262 8282 1 14 . 1 1 41 41 MET H H 41 8.708 8.708 7.743 0.965 18262 8283 1 14 . 1 1 42 42 SER N N 42 116.303 116.303 115.056 1.247 18262 8284 1 14 . 1 1 42 42 SER HA H 42 4.301 4.301 4.147 0.154 18262 8285 1 14 . 1 1 42 42 SER CA C 42 62.145 62.145 61.833 0.312 18262 8286 1 14 . 1 1 42 42 SER CB C 42 62.835 62.835 62.831 0.004 18262 8287 1 14 . 1 1 42 42 SER H H 42 8.364 8.364 8.439 -0.075 18262 8288 1 14 . 1 1 43 43 THR N N 43 119.136 119.136 119.185 -0.049 18262 8289 1 14 . 1 1 43 43 THR HA H 43 4.051 4.051 4.060 -0.009 18262 8290 1 14 . 1 1 43 43 THR CA C 43 66.673 66.673 66.754 -0.081 18262 8291 1 14 . 1 1 43 43 THR CB C 43 68.635 68.635 68.856 -0.221 18262 8292 1 14 . 1 1 43 43 THR H H 43 7.944 7.944 7.413 0.531 18262 8293 1 14 . 1 1 44 44 ILE N N 44 122.789 122.789 121.937 0.852 18262 8294 1 14 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.650 0.298 18262 8295 1 14 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.368 -0.721 18262 8296 1 14 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.451 0.596 18262 8297 1 14 . 1 1 44 44 ILE H H 44 7.856 7.856 7.585 0.271 18262 8298 1 14 . 1 1 45 45 ALA N N 45 124.903 124.903 122.604 2.299 18262 8299 1 14 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.002 0.132 18262 8300 1 14 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.127 0.952 18262 8301 1 14 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.038 0.940 18262 8302 1 14 . 1 1 45 45 ALA H H 45 8.868 8.868 8.498 0.370 18262 8303 1 14 . 1 1 46 46 GLN N N 46 116.435 116.435 118.569 -2.134 18262 8304 1 14 . 1 1 46 46 GLN HA H 46 4.064 4.064 3.932 0.132 18262 8305 1 14 . 1 1 46 46 GLN CA C 46 58.973 58.973 59.072 -0.099 18262 8306 1 14 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.681 -0.361 18262 8307 1 14 . 1 1 46 46 GLN H H 46 8.253 8.253 8.062 0.191 18262 8308 1 14 . 1 1 47 47 SER N N 47 116.211 116.211 115.457 0.754 18262 8309 1 14 . 1 1 47 47 SER HA H 47 4.249 4.249 4.201 0.048 18262 8310 1 14 . 1 1 47 47 SER CA C 47 61.766 61.766 61.566 0.199 18262 8311 1 14 . 1 1 47 47 SER CB C 47 62.874 62.874 62.981 -0.107 18262 8312 1 14 . 1 1 47 47 SER H H 47 8.242 8.242 8.149 0.093 18262 8313 1 14 . 1 1 48 48 MET N N 48 122.179 122.179 120.759 1.420 18262 8314 1 14 . 1 1 48 48 MET HA H 48 4.109 4.109 4.080 0.029 18262 8315 1 14 . 1 1 48 48 MET CA C 48 57.695 57.695 57.526 0.169 18262 8316 1 14 . 1 1 48 48 MET CB C 48 31.370 31.370 31.947 -0.577 18262 8317 1 14 . 1 1 48 48 MET H H 48 8.198 8.198 8.103 0.095 18262 8318 1 14 . 1 1 49 49 VAL N N 49 118.918 118.918 119.162 -0.244 18262 8319 1 14 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.558 -0.279 18262 8320 1 14 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.637 1.300 18262 8321 1 14 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.415 0.138 18262 8322 1 14 . 1 1 49 49 VAL H H 49 7.791 7.791 8.041 -0.250 18262 8323 1 14 . 1 1 50 50 GLN N N 50 118.407 118.407 119.373 -0.966 18262 8324 1 14 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.007 0.085 18262 8325 1 14 . 1 1 50 50 GLN CA C 50 59.126 59.126 58.934 0.192 18262 8326 1 14 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.711 0.492 18262 8327 1 14 . 1 1 50 50 GLN H H 50 8.206 8.206 8.578 -0.372 18262 8328 1 14 . 1 1 51 51 SER N N 51 117.680 117.680 117.334 0.346 18262 8329 1 14 . 1 1 51 51 SER HA H 51 4.209 4.209 4.234 -0.025 18262 8330 1 14 . 1 1 51 51 SER CA C 51 62.766 62.766 61.621 1.145 18262 8331 1 14 . 1 1 51 51 SER CB C 51 63.014 63.014 62.586 0.428 18262 8332 1 14 . 1 1 51 51 SER H H 51 8.394 8.394 7.697 0.697 18262 8333 1 14 . 1 1 52 52 ILE N N 52 123.233 123.233 122.664 0.569 18262 8334 1 14 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.637 -0.074 18262 8335 1 14 . 1 1 52 52 ILE CA C 52 64.881 64.881 65.354 -0.473 18262 8336 1 14 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.329 0.542 18262 8337 1 14 . 1 1 52 52 ILE H H 52 8.135 8.135 7.507 0.628 18262 8338 1 14 . 1 1 53 53 GLN N N 53 119.911 119.911 120.256 -0.345 18262 8339 1 14 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.006 -0.081 18262 8340 1 14 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.276 0.295 18262 8341 1 14 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.157 -0.224 18262 8342 1 14 . 1 1 53 53 GLN H H 53 8.600 8.600 8.542 0.058 18262 8343 1 14 . 1 1 54 54 SER N N 54 115.414 115.414 116.760 -1.346 18262 8344 1 14 . 1 1 54 54 SER HA H 54 4.308 4.308 4.153 0.155 18262 8345 1 14 . 1 1 54 54 SER CA C 54 61.468 61.468 62.108 -0.640 18262 8346 1 14 . 1 1 54 54 SER CB C 54 62.950 62.950 62.811 0.139 18262 8347 1 14 . 1 1 54 54 SER H H 54 8.304 8.304 8.319 -0.015 18262 8348 1 14 . 1 1 55 55 LEU N N 55 121.576 121.576 122.348 -0.772 18262 8349 1 14 . 1 1 55 55 LEU HA H 55 4.065 4.065 3.993 0.072 18262 8350 1 14 . 1 1 55 55 LEU CA C 55 57.713 57.713 58.099 -0.386 18262 8351 1 14 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.860 0.493 18262 8352 1 14 . 1 1 55 55 LEU H H 55 7.881 7.881 8.266 -0.385 18262 8353 1 14 . 1 1 56 56 ALA N N 56 121.244 121.244 120.652 0.592 18262 8354 1 14 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.140 0.092 18262 8355 1 14 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.129 0.272 18262 8356 1 14 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.475 -0.213 18262 8357 1 14 . 1 1 56 56 ALA H H 56 8.007 8.007 8.363 -0.356 18262 8358 1 14 . 1 1 57 57 ALA N N 57 121.370 121.370 121.519 -0.149 18262 8359 1 14 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.057 0.156 18262 8360 1 14 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.379 0.137 18262 8361 1 14 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.503 0.037 18262 8362 1 14 . 1 1 57 57 ALA H H 57 8.026 8.026 8.417 -0.391 18262 8363 1 14 . 1 1 58 58 GLN N N 58 114.464 114.464 116.727 -2.263 18262 8364 1 14 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.249 0.095 18262 8365 1 14 . 1 1 58 58 GLN CA C 58 56.027 56.027 56.595 -0.568 18262 8366 1 14 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.562 0.125 18262 8367 1 14 . 1 1 58 58 GLN H H 58 7.759 7.759 7.897 -0.138 18262 8368 1 14 . 1 1 59 59 GLY N N 59 108.318 108.318 106.017 2.301 18262 8369 1 14 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.731 1.405 18262 8370 1 14 . 1 1 59 59 GLY H H 59 7.905 7.905 8.355 -0.450 18262 8371 1 14 . 1 1 60 60 ARG N N 60 118.325 118.325 124.414 -6.089 18262 8372 1 14 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.497 0.029 18262 8373 1 14 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.443 0.285 18262 8374 1 14 . 1 1 60 60 ARG CB C 60 31.690 31.690 30.145 1.545 18262 8375 1 14 . 1 1 60 60 ARG H H 60 8.097 8.097 7.963 0.134 18262 8376 1 14 . 1 1 61 61 THR N N 61 116.640 116.640 120.494 -3.854 18262 8377 1 14 . 1 1 61 61 THR HA H 61 4.782 4.782 4.544 0.238 18262 8378 1 14 . 1 1 61 61 THR CA C 61 63.339 63.339 61.746 1.593 18262 8379 1 14 . 1 1 61 61 THR CB C 61 68.819 68.819 71.174 -2.355 18262 8380 1 14 . 1 1 61 61 THR H H 61 8.038 8.038 8.114 -0.076 18262 8381 1 14 . 1 1 62 62 SER N N 62 119.882 119.882 123.515 -3.633 18262 8382 1 14 . 1 1 62 62 SER HA H 62 4.899 4.899 4.776 0.123 18262 8383 1 14 . 1 1 62 62 SER CA C 62 56.263 56.263 55.983 0.280 18262 8384 1 14 . 1 1 62 62 SER CB C 62 63.827 63.827 63.694 0.133 18262 8385 1 14 . 1 1 62 62 SER H H 62 7.792 7.792 8.340 -0.548 18262 8386 1 14 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.237 0.062 18262 8387 1 14 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.096 0.720 18262 8388 1 14 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.925 0.292 18262 8389 1 14 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.523 0.024 18262 8390 1 14 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.886 0.309 18262 8391 1 14 . 1 1 64 64 ASN CB C 64 38.070 38.070 38.054 0.016 18262 8392 1 14 . 1 1 65 65 LYS N N 65 121.063 121.063 121.341 -0.278 18262 8393 1 14 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.068 0.114 18262 8394 1 14 . 1 1 65 65 LYS CA C 65 58.552 58.552 59.120 -0.568 18262 8395 1 14 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.108 0.599 18262 8396 1 14 . 1 1 65 65 LYS H H 65 7.762 7.762 7.999 -0.237 18262 8397 1 14 . 1 1 66 66 LEU N N 66 119.082 119.082 116.771 2.311 18262 8398 1 14 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.280 -0.217 18262 8399 1 14 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.668 0.330 18262 8400 1 14 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.903 0.558 18262 8401 1 14 . 1 1 66 66 LEU H H 66 7.934 7.934 7.693 0.241 18262 8402 1 14 . 1 1 67 67 GLN N N 67 119.220 119.220 115.375 3.845 18262 8403 1 14 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.550 -0.343 18262 8404 1 14 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.611 2.476 18262 8405 1 14 . 1 1 67 67 GLN CB C 67 28.215 28.215 29.551 -1.336 18262 8406 1 14 . 1 1 67 67 GLN H H 67 8.201 8.201 7.660 0.541 18262 8407 1 14 . 1 1 68 68 ALA N N 68 121.749 121.749 122.268 -0.519 18262 8408 1 14 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.413 -0.234 18262 8409 1 14 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.225 1.050 18262 8410 1 14 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.352 -2.247 18262 8411 1 14 . 1 1 68 68 ALA H H 68 7.739 7.739 7.848 -0.109 18262 8412 1 14 . 1 1 69 69 LEU N N 69 120.591 120.591 118.948 1.643 18262 8413 1 14 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.839 0.156 18262 8414 1 14 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.412 0.562 18262 8415 1 14 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.128 0.210 18262 8416 1 14 . 1 1 69 69 LEU H H 69 7.888 7.888 8.463 -0.575 18262 8417 1 14 . 1 1 70 70 ASN N N 70 119.586 119.586 117.036 2.550 18262 8418 1 14 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.318 -0.787 18262 8419 1 14 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.017 1.003 18262 8420 1 14 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.120 0.728 18262 8421 1 14 . 1 1 70 70 ASN H H 70 8.356 8.356 8.452 -0.096 18262 8422 1 14 . 1 1 71 71 MET N N 71 117.354 117.354 118.824 -1.470 18262 8423 1 14 . 1 1 71 71 MET HA H 71 4.271 4.271 4.558 -0.287 18262 8424 1 14 . 1 1 71 71 MET CA C 71 59.088 59.088 58.303 0.785 18262 8425 1 14 . 1 1 71 71 MET CB C 71 32.746 32.746 32.837 -0.092 18262 8426 1 14 . 1 1 71 71 MET H H 71 8.207 8.207 7.650 0.557 18262 8427 1 14 . 1 1 72 72 ALA N N 72 123.354 123.354 124.092 -0.738 18262 8428 1 14 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.928 0.146 18262 8429 1 14 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.334 -0.207 18262 8430 1 14 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.294 -0.137 18262 8431 1 14 . 1 1 72 72 ALA H H 72 8.075 8.075 7.689 0.386 18262 8432 1 14 . 1 1 73 73 PHE N N 73 120.968 120.968 116.206 4.762 18262 8433 1 14 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.280 0.238 18262 8434 1 14 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.988 0.444 18262 8435 1 14 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.260 1.337 18262 8436 1 14 . 1 1 73 73 PHE H H 73 8.546 8.546 7.977 0.569 18262 8437 1 14 . 1 1 74 74 ALA N N 74 119.865 119.865 122.775 -2.910 18262 8438 1 14 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.622 0.119 18262 8439 1 14 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.542 0.852 18262 8440 1 14 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.655 2.754 18262 8441 1 14 . 1 1 74 74 ALA H H 74 8.593 8.593 7.331 1.262 18262 8442 1 14 . 1 1 75 75 SER N N 75 112.870 112.870 113.720 -0.850 18262 8443 1 14 . 1 1 75 75 SER HA H 75 3.581 3.581 3.970 -0.389 18262 8444 1 14 . 1 1 75 75 SER CA C 75 61.879 61.879 61.433 0.446 18262 8445 1 14 . 1 1 75 75 SER CB C 75 62.010 62.010 62.464 -0.454 18262 8446 1 14 . 1 1 75 75 SER H H 75 8.501 8.501 8.197 0.304 18262 8447 1 14 . 1 1 76 76 SER N N 76 118.492 118.492 117.328 1.164 18262 8448 1 14 . 1 1 76 76 SER HA H 76 4.301 4.301 4.306 -0.005 18262 8449 1 14 . 1 1 76 76 SER CA C 76 62.748 62.748 61.376 1.372 18262 8450 1 14 . 1 1 76 76 SER CB C 76 63.013 63.013 63.042 -0.029 18262 8451 1 14 . 1 1 76 76 SER H H 76 8.152 8.152 7.585 0.567 18262 8452 1 14 . 1 1 77 77 MET N N 77 120.358 120.358 120.752 -0.394 18262 8453 1 14 . 1 1 77 77 MET HA H 77 3.999 3.999 4.304 -0.305 18262 8454 1 14 . 1 1 77 77 MET CA C 77 60.024 60.024 58.713 1.311 18262 8455 1 14 . 1 1 77 77 MET CB C 77 34.657 34.657 32.381 2.276 18262 8456 1 14 . 1 1 77 77 MET H H 77 8.130 8.130 7.940 0.190 18262 8457 1 14 . 1 1 78 78 ALA N N 78 121.547 121.547 123.026 -1.479 18262 8458 1 14 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.016 -0.090 18262 8459 1 14 . 1 1 78 78 ALA CA C 78 55.596 55.596 56.133 -0.537 18262 8460 1 14 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.987 2.412 18262 8461 1 14 . 1 1 78 78 ALA H H 78 8.534 8.534 7.992 0.542 18262 8462 1 14 . 1 1 79 79 GLU N N 79 116.654 116.654 116.664 -0.010 18262 8463 1 14 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.069 -0.089 18262 8464 1 14 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.898 0.504 18262 8465 1 14 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.534 0.289 18262 8466 1 14 . 1 1 79 79 GLU H H 79 7.557 7.557 8.208 -0.651 18262 8467 1 14 . 1 1 80 80 ILE N N 80 118.293 118.293 117.894 0.399 18262 8468 1 14 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.977 -0.019 18262 8469 1 14 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.178 -0.393 18262 8470 1 14 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.401 -0.094 18262 8471 1 14 . 1 1 80 80 ILE H H 80 7.239 7.239 7.272 -0.033 18262 8472 1 14 . 1 1 81 81 ALA N N 81 121.511 121.511 122.425 -0.914 18262 8473 1 14 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.200 -0.240 18262 8474 1 14 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.321 0.417 18262 8475 1 14 . 1 1 81 81 ALA CB C 81 17.957 17.957 19.054 -1.097 18262 8476 1 14 . 1 1 81 81 ALA H H 81 8.595 8.595 8.640 -0.045 18262 8477 1 14 . 1 1 82 82 ALA N N 82 116.183 116.183 117.401 -1.218 18262 8478 1 14 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.276 0.012 18262 8479 1 14 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.628 0.973 18262 8480 1 14 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.566 0.828 18262 8481 1 14 . 1 1 82 82 ALA H H 82 8.001 8.001 7.829 0.172 18262 8482 1 14 . 1 1 83 83 SER N N 83 113.212 113.212 115.040 -1.828 18262 8483 1 14 . 1 1 83 83 SER HA H 83 4.319 4.319 4.365 -0.046 18262 8484 1 14 . 1 1 83 83 SER CA C 83 59.243 59.243 57.290 1.953 18262 8485 1 14 . 1 1 83 83 SER CB C 83 63.971 63.971 64.448 -0.477 18262 8486 1 14 . 1 1 83 83 SER H H 83 7.391 7.391 7.375 0.016 18262 8487 1 14 . 1 1 84 84 GLU N N 84 123.385 123.385 126.223 -2.838 18262 8488 1 14 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.203 0.228 18262 8489 1 14 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.996 -0.341 18262 8490 1 14 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.306 1.270 18262 8491 1 14 . 1 1 84 84 GLU H H 84 8.421 8.421 8.918 -0.497 18262 8492 1 14 . 1 1 85 85 GLU N N 85 121.674 121.674 120.229 1.445 18262 8493 1 14 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.392 -0.118 18262 8494 1 14 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.791 1.336 18262 8495 1 14 . 1 1 85 85 GLU CB C 85 30.191 30.191 31.097 -0.906 18262 8496 1 14 . 1 1 85 85 GLU H H 85 8.407 8.407 7.337 1.070 18262 8497 1 14 . 1 1 86 86 GLY N N 86 110.617 110.617 112.150 -1.533 18262 8498 1 14 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.901 0.823 18262 8499 1 14 . 1 1 86 86 GLY H H 86 8.564 8.564 8.812 -0.248 18262 8500 1 14 . 1 1 87 87 GLY N N 87 108.562 108.562 107.500 1.062 18262 8501 1 14 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.110 0.356 18262 8502 1 14 . 1 1 87 87 GLY H H 87 8.257 8.257 8.399 -0.142 18262 8503 1 14 . 1 1 88 88 GLY N N 88 107.890 107.890 108.985 -1.095 18262 8504 1 14 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.563 -0.679 18262 8505 1 14 . 1 1 88 88 GLY H H 88 8.100 8.100 8.175 -0.075 18262 8506 1 14 . 1 1 89 89 SER N N 89 115.889 115.889 117.659 -1.770 18262 8507 1 14 . 1 1 89 89 SER HA H 89 4.594 4.594 4.329 0.265 18262 8508 1 14 . 1 1 89 89 SER CA C 89 57.382 57.382 57.962 -0.580 18262 8509 1 14 . 1 1 89 89 SER CB C 89 65.271 65.271 63.724 1.547 18262 8510 1 14 . 1 1 89 89 SER H H 89 8.474 8.474 7.885 0.589 18262 8511 1 14 . 1 1 90 90 LEU N N 90 124.688 124.688 121.599 3.089 18262 8512 1 14 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.146 -0.022 18262 8513 1 14 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.109 2.451 18262 8514 1 14 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.998 -0.580 18262 8515 1 14 . 1 1 90 90 LEU H H 90 8.867 8.867 8.511 0.356 18262 8516 1 14 . 1 1 91 91 SER N N 91 114.045 114.045 114.729 -0.684 18262 8517 1 14 . 1 1 91 91 SER CA C 91 61.331 61.331 61.927 -0.596 18262 8518 1 14 . 1 1 91 91 SER CB C 91 62.080 62.080 62.819 -0.739 18262 8519 1 14 . 1 1 91 91 SER H H 91 8.501 8.501 8.397 0.104 18262 8520 1 14 . 1 1 92 92 THR N N 92 121.036 121.036 114.592 6.444 18262 8521 1 14 . 1 1 92 92 THR HA H 92 4.006 4.006 4.223 -0.217 18262 8522 1 14 . 1 1 92 92 THR CA C 92 66.537 66.537 64.342 2.195 18262 8523 1 14 . 1 1 92 92 THR CB C 92 68.326 68.326 68.694 -0.368 18262 8524 1 14 . 1 1 92 92 THR H H 92 7.818 7.818 7.957 -0.139 18262 8525 1 14 . 1 1 93 93 LYS N N 93 120.426 120.426 121.656 -1.230 18262 8526 1 14 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.811 -0.022 18262 8527 1 14 . 1 1 93 93 LYS CA C 93 61.114 61.114 58.754 2.360 18262 8528 1 14 . 1 1 93 93 LYS CB C 93 33.469 33.469 32.118 1.351 18262 8529 1 14 . 1 1 93 93 LYS H H 93 8.146 8.146 7.230 0.916 18262 8530 1 14 . 1 1 94 94 THR N N 94 111.775 111.775 113.006 -1.231 18262 8531 1 14 . 1 1 94 94 THR HA H 94 3.933 3.933 4.118 -0.185 18262 8532 1 14 . 1 1 94 94 THR CA C 94 67.228 67.228 66.332 0.896 18262 8533 1 14 . 1 1 94 94 THR CB C 94 68.083 68.083 68.434 -0.351 18262 8534 1 14 . 1 1 94 94 THR H H 94 8.881 8.881 8.499 0.382 18262 8535 1 14 . 1 1 95 95 SER N N 95 119.066 119.066 118.347 0.719 18262 8536 1 14 . 1 1 95 95 SER HA H 95 4.397 4.397 4.115 0.282 18262 8537 1 14 . 1 1 95 95 SER CA C 95 62.060 62.060 62.398 -0.338 18262 8538 1 14 . 1 1 95 95 SER CB C 95 62.693 62.693 62.819 -0.126 18262 8539 1 14 . 1 1 95 95 SER H H 95 8.134 8.134 7.926 0.208 18262 8540 1 14 . 1 1 96 96 SER N N 96 121.588 121.588 118.791 2.797 18262 8541 1 14 . 1 1 96 96 SER HA H 96 4.462 4.462 4.303 0.159 18262 8542 1 14 . 1 1 96 96 SER CA C 96 62.623 62.623 61.434 1.189 18262 8543 1 14 . 1 1 96 96 SER CB C 96 62.866 62.866 63.338 -0.472 18262 8544 1 14 . 1 1 96 96 SER H H 96 8.642 8.642 7.611 1.031 18262 8545 1 14 . 1 1 97 97 ILE N N 97 122.467 122.467 123.419 -0.952 18262 8546 1 14 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.710 0.087 18262 8547 1 14 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.901 0.933 18262 8548 1 14 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.880 0.835 18262 8549 1 14 . 1 1 97 97 ILE H H 97 8.482 8.482 8.056 0.426 18262 8550 1 14 . 1 1 98 98 ALA N N 98 122.100 122.100 121.348 0.752 18262 8551 1 14 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.115 -0.061 18262 8552 1 14 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.390 0.838 18262 8553 1 14 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.343 0.074 18262 8554 1 14 . 1 1 98 98 ALA H H 98 8.437 8.437 8.497 -0.060 18262 8555 1 14 . 1 1 99 99 SER N N 99 115.737 115.737 115.177 0.560 18262 8556 1 14 . 1 1 99 99 SER HA H 99 4.366 4.366 4.302 0.064 18262 8557 1 14 . 1 1 99 99 SER CA C 99 62.029 62.029 62.128 -0.099 18262 8558 1 14 . 1 1 99 99 SER CB C 99 63.230 63.230 63.090 0.140 18262 8559 1 14 . 1 1 99 99 SER H H 99 8.658 8.658 7.670 0.988 18262 8560 1 14 . 1 1 100 100 ALA N N 100 124.292 124.292 125.744 -1.452 18262 8561 1 14 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.974 0.271 18262 8562 1 14 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.353 0.037 18262 8563 1 14 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.282 0.210 18262 8564 1 14 . 1 1 100 100 ALA H H 100 8.976 8.976 8.590 0.386 18262 8565 1 14 . 1 1 101 101 MET N N 101 119.143 119.143 117.422 1.721 18262 8566 1 14 . 1 1 101 101 MET HA H 101 4.054 4.054 4.041 0.013 18262 8567 1 14 . 1 1 101 101 MET CA C 101 61.026 61.026 59.796 1.230 18262 8568 1 14 . 1 1 101 101 MET CB C 101 34.483 34.483 32.824 1.659 18262 8569 1 14 . 1 1 101 101 MET H H 101 9.063 9.063 8.148 0.915 18262 8570 1 14 . 1 1 102 102 SER N N 102 116.778 116.778 115.965 0.813 18262 8571 1 14 . 1 1 102 102 SER HA H 102 4.363 4.363 4.282 0.081 18262 8572 1 14 . 1 1 102 102 SER CA C 102 63.348 63.348 62.146 1.202 18262 8573 1 14 . 1 1 102 102 SER CB C 102 62.593 62.593 63.190 -0.597 18262 8574 1 14 . 1 1 102 102 SER H H 102 8.693 8.693 8.171 0.522 18262 8575 1 14 . 1 1 103 103 ASN N N 103 117.982 117.982 119.842 -1.860 18262 8576 1 14 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.496 -0.032 18262 8577 1 14 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.137 0.525 18262 8578 1 14 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.602 -0.085 18262 8579 1 14 . 1 1 103 103 ASN H H 103 8.108 8.108 8.488 -0.380 18262 8580 1 14 . 1 1 104 104 ALA N N 104 122.272 122.272 122.523 -0.251 18262 8581 1 14 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.000 0.240 18262 8582 1 14 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.978 -0.135 18262 8583 1 14 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.216 0.017 18262 8584 1 14 . 1 1 104 104 ALA H H 104 7.892 7.892 8.010 -0.118 18262 8585 1 14 . 1 1 105 105 PHE N N 105 119.096 119.096 119.214 -0.118 18262 8586 1 14 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.389 0.011 18262 8587 1 14 . 1 1 105 105 PHE CA C 105 63.843 63.843 61.795 2.048 18262 8588 1 14 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.109 0.378 18262 8589 1 14 . 1 1 105 105 PHE H H 105 8.580 8.580 8.410 0.170 18262 8590 1 14 . 1 1 106 106 LEU N N 106 121.540 121.540 117.943 3.597 18262 8591 1 14 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.104 -0.368 18262 8592 1 14 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.870 1.286 18262 8593 1 14 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.433 -0.098 18262 8594 1 14 . 1 1 106 106 LEU H H 106 8.226 8.226 8.045 0.181 18262 8595 1 14 . 1 1 107 107 GLN N N 107 114.603 114.603 116.604 -2.001 18262 8596 1 14 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.299 -0.109 18262 8597 1 14 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.856 -0.438 18262 8598 1 14 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.811 0.680 18262 8599 1 14 . 1 1 107 107 GLN H H 107 8.132 8.132 7.927 0.205 18262 8600 1 14 . 1 1 108 108 THR N N 108 108.290 108.290 112.321 -4.031 18262 8601 1 14 . 1 1 108 108 THR HA H 108 4.518 4.518 4.373 0.145 18262 8602 1 14 . 1 1 108 108 THR CA C 108 62.483 62.483 64.364 -1.881 18262 8603 1 14 . 1 1 108 108 THR CB C 108 70.390 70.390 69.217 1.173 18262 8604 1 14 . 1 1 108 108 THR H H 108 7.726 7.726 7.261 0.465 18262 8605 1 14 . 1 1 109 109 THR N N 109 113.407 113.407 113.245 0.162 18262 8606 1 14 . 1 1 109 109 THR HA H 109 4.586 4.586 4.543 0.043 18262 8607 1 14 . 1 1 109 109 THR CA C 109 62.325 62.325 61.506 0.819 18262 8608 1 14 . 1 1 109 109 THR CB C 109 70.696 70.696 70.067 0.629 18262 8609 1 14 . 1 1 109 109 THR H H 109 8.907 8.907 7.835 1.072 18262 8610 1 14 . 1 1 110 110 GLY N N 110 109.267 109.267 109.905 -0.638 18262 8611 1 14 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.802 -0.234 18262 8612 1 14 . 1 1 110 110 GLY H H 110 8.361 8.361 8.256 0.105 18262 8613 1 14 . 1 1 111 111 VAL N N 111 119.375 119.375 122.200 -2.825 18262 8614 1 14 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.285 -0.030 18262 8615 1 14 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.963 -0.081 18262 8616 1 14 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.428 2.008 18262 8617 1 14 . 1 1 111 111 VAL H H 111 7.784 7.784 7.770 0.014 18262 8618 1 14 . 1 1 112 112 VAL N N 112 125.327 125.327 124.233 1.094 18262 8619 1 14 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.835 -0.623 18262 8620 1 14 . 1 1 112 112 VAL CA C 112 64.479 64.479 59.726 4.753 18262 8621 1 14 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.813 -2.117 18262 8622 1 14 . 1 1 112 112 VAL H H 112 8.747 8.747 8.267 0.480 18262 8623 1 14 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.634 -0.132 18262 8624 1 14 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.645 -1.452 18262 8625 1 14 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.358 -1.236 18262 8626 1 14 . 1 1 114 114 GLN N N 114 124.067 124.067 127.971 -3.904 18262 8627 1 14 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.234 -0.297 18262 8628 1 14 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.288 -0.870 18262 8629 1 14 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.977 -0.430 18262 8630 1 14 . 1 1 114 114 GLN H H 114 8.394 8.394 8.732 -0.338 18262 8631 1 14 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.182 0.068 18262 8632 1 14 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.762 0.910 18262 8633 1 14 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.038 0.261 18262 8634 1 14 . 1 1 116 116 PHE N N 116 117.820 117.820 119.625 -1.805 18262 8635 1 14 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.206 -0.004 18262 8636 1 14 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.608 -0.277 18262 8637 1 14 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.158 0.360 18262 8638 1 14 . 1 1 116 116 PHE H H 116 7.268 7.268 8.365 -1.097 18262 8639 1 14 . 1 1 117 117 ILE N N 117 119.434 119.434 119.407 0.027 18262 8640 1 14 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.437 0.097 18262 8641 1 14 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.060 0.687 18262 8642 1 14 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.584 0.611 18262 8643 1 14 . 1 1 117 117 ILE H H 117 7.641 7.641 7.907 -0.266 18262 8644 1 14 . 1 1 118 118 ASN N N 118 119.834 119.834 118.334 1.500 18262 8645 1 14 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.523 -0.210 18262 8646 1 14 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.488 0.213 18262 8647 1 14 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.886 -0.365 18262 8648 1 14 . 1 1 118 118 ASN H H 118 8.985 8.985 8.564 0.421 18262 8649 1 14 . 1 1 119 119 GLU N N 119 121.164 121.164 120.584 0.580 18262 8650 1 14 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.158 -0.135 18262 8651 1 14 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.132 0.505 18262 8652 1 14 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.467 0.249 18262 8653 1 14 . 1 1 119 119 GLU H H 119 8.090 8.090 7.698 0.392 18262 8654 1 14 . 1 1 120 120 ILE N N 120 117.906 117.906 119.081 -1.175 18262 8655 1 14 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.739 0.015 18262 8656 1 14 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.947 -0.979 18262 8657 1 14 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.613 -0.799 18262 8658 1 14 . 1 1 120 120 ILE H H 120 8.025 8.025 8.222 -0.197 18262 8659 1 14 . 1 1 121 121 THR N N 121 112.720 112.720 113.006 -0.286 18262 8660 1 14 . 1 1 121 121 THR HA H 121 3.767 3.767 3.973 -0.206 18262 8661 1 14 . 1 1 121 121 THR CA C 121 67.203 67.203 66.405 0.798 18262 8662 1 14 . 1 1 121 121 THR CB C 121 68.380 68.380 68.042 0.338 18262 8663 1 14 . 1 1 121 121 THR H H 121 8.665 8.665 8.001 0.664 18262 8664 1 14 . 1 1 122 122 GLN N N 122 123.165 123.165 121.476 1.689 18262 8665 1 14 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.159 -0.071 18262 8666 1 14 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.474 0.788 18262 8667 1 14 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.555 -0.394 18262 8668 1 14 . 1 1 122 122 GLN H H 122 8.128 8.128 7.492 0.636 18262 8669 1 14 . 1 1 123 123 LEU N N 123 120.702 120.702 120.583 0.119 18262 8670 1 14 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.625 0.298 18262 8671 1 14 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.959 0.159 18262 8672 1 14 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.446 1.544 18262 8673 1 14 . 1 1 123 123 LEU H H 123 8.173 8.173 7.961 0.212 18262 8674 1 14 . 1 1 124 124 VAL N N 124 118.840 118.840 118.039 0.801 18262 8675 1 14 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.938 -0.323 18262 8676 1 14 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.618 0.706 18262 8677 1 14 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.456 0.097 18262 8678 1 14 . 1 1 124 124 VAL H H 124 8.742 8.742 8.293 0.449 18262 8679 1 14 . 1 1 125 125 SER N N 125 112.613 112.613 114.596 -1.983 18262 8680 1 14 . 1 1 125 125 SER HA H 125 4.050 4.050 4.139 -0.089 18262 8681 1 14 . 1 1 125 125 SER CA C 125 62.568 62.568 61.873 0.695 18262 8682 1 14 . 1 1 125 125 SER CB C 125 62.960 62.960 62.967 -0.007 18262 8683 1 14 . 1 1 125 125 SER H H 125 7.883 7.883 7.560 0.323 18262 8684 1 14 . 1 1 126 126 MET N N 126 120.939 120.939 121.141 -0.202 18262 8685 1 14 . 1 1 126 126 MET HA H 126 4.052 4.052 4.179 -0.127 18262 8686 1 14 . 1 1 126 126 MET CA C 126 59.009 59.009 57.358 1.651 18262 8687 1 14 . 1 1 126 126 MET CB C 126 32.780 32.780 31.892 0.888 18262 8688 1 14 . 1 1 126 126 MET H H 126 8.091 8.091 8.053 0.038 18262 8689 1 14 . 1 1 127 127 PHE N N 127 118.732 118.732 117.893 0.839 18262 8690 1 14 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.274 0.191 18262 8691 1 14 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.080 0.516 18262 8692 1 14 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.971 0.940 18262 8693 1 14 . 1 1 127 127 PHE H H 127 8.755 8.755 8.232 0.523 18262 8694 1 14 . 1 1 128 128 ALA N N 128 121.647 121.647 120.614 1.033 18262 8695 1 14 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.112 0.105 18262 8696 1 14 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.181 0.323 18262 8697 1 14 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.900 0.657 18262 8698 1 14 . 1 1 128 128 ALA H H 128 8.638 8.638 7.920 0.718 18262 8699 1 14 . 1 1 129 129 GLN N N 129 115.892 115.892 116.687 -0.795 18262 8700 1 14 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.252 -0.029 18262 8701 1 14 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.937 -0.697 18262 8702 1 14 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.888 -0.511 18262 8703 1 14 . 1 1 129 129 GLN H H 129 7.789 7.789 7.554 0.235 18262 8704 1 14 . 1 1 130 130 ALA N N 130 122.349 122.349 120.428 1.921 18262 8705 1 14 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.027 0.244 18262 8706 1 14 . 1 1 130 130 ALA CA C 130 53.907 53.907 53.775 0.132 18262 8707 1 14 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.771 1.214 18262 8708 1 14 . 1 1 130 130 ALA H H 130 7.791 7.791 8.700 -0.909 18262 8709 1 14 . 1 1 131 131 GLY N N 131 106.497 106.497 104.407 2.090 18262 8710 1 14 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.542 1.230 18262 8711 1 14 . 1 1 131 131 GLY H H 131 8.157 8.157 8.462 -0.305 18262 8712 1 14 . 1 1 132 132 MET N N 132 119.229 119.229 118.656 0.573 18262 8713 1 14 . 1 1 132 132 MET HA H 132 4.473 4.473 4.843 -0.370 18262 8714 1 14 . 1 1 132 132 MET CA C 132 55.973 55.973 54.797 1.176 18262 8715 1 14 . 1 1 132 132 MET CB C 132 33.129 33.129 34.765 -1.636 18262 8716 1 14 . 1 1 132 132 MET H H 132 7.929 7.929 7.683 0.246 18262 8717 1 14 . 1 1 133 133 ASN N N 133 118.982 118.982 123.417 -4.435 18262 8718 1 14 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.884 -0.143 18262 8719 1 14 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.726 -0.358 18262 8720 1 14 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.369 -0.020 18262 8721 1 14 . 1 1 133 133 ASN H H 133 8.334 8.334 8.696 -0.362 18262 8722 1 14 . 1 1 134 134 ASP N N 134 120.983 120.983 119.228 1.755 18262 8723 1 14 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.336 0.307 18262 8724 1 14 . 1 1 134 134 ASP CA C 134 54.507 54.507 55.501 -0.994 18262 8725 1 14 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.937 0.346 18262 8726 1 14 . 1 1 134 134 ASP H H 134 8.282 8.282 8.833 -0.551 18262 8727 1 14 . 1 1 135 135 VAL N N 135 119.922 119.922 114.778 5.144 18262 8728 1 14 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.314 -0.117 18262 8729 1 14 . 1 1 135 135 VAL CA C 135 62.327 62.327 61.537 0.790 18262 8730 1 14 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.803 -0.089 18262 8731 1 14 . 1 1 135 135 VAL H H 135 8.080 8.080 7.514 0.566 18262 8732 1 14 . 1 1 136 136 SER N N 136 119.994 119.994 118.169 1.825 18262 8733 1 14 . 1 1 136 136 SER HA H 136 4.459 4.459 4.219 0.240 18262 8734 1 14 . 1 1 136 136 SER CA C 136 58.412 58.412 59.054 -0.642 18262 8735 1 14 . 1 1 136 136 SER CB C 136 64.068 64.068 62.745 1.323 18262 8736 1 14 . 1 1 136 136 SER H H 136 8.397 8.397 8.731 -0.334 18262 8737 1 15 . 1 1 3 3 GLY CA C 3 45.270 45.270 45.376 -0.106 18262 8738 1 15 . 1 1 4 4 ASN N N 4 124.122 124.122 121.496 2.626 18262 8739 1 15 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.047 1.780 18262 8740 1 15 . 1 1 4 4 ASN H H 4 7.979 7.979 8.141 -0.162 18262 8741 1 15 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.791 -0.099 18262 8742 1 15 . 1 1 6 6 HIS CA C 6 56.068 56.068 54.599 1.469 18262 8743 1 15 . 1 1 6 6 HIS CB C 6 31.102 31.102 28.858 2.244 18262 8744 1 15 . 1 1 7 7 THR N N 7 115.462 115.462 116.587 -1.125 18262 8745 1 15 . 1 1 7 7 THR HA H 7 4.312 4.312 4.353 -0.041 18262 8746 1 15 . 1 1 7 7 THR CA C 7 62.316 62.316 62.050 0.266 18262 8747 1 15 . 1 1 7 7 THR CB C 7 69.849 69.849 69.885 -0.036 18262 8748 1 15 . 1 1 7 7 THR H H 7 8.132 8.132 7.308 0.824 18262 8749 1 15 . 1 1 8 8 THR N N 8 115.752 115.752 114.801 0.951 18262 8750 1 15 . 1 1 8 8 THR HA H 8 4.164 4.164 3.922 0.242 18262 8751 1 15 . 1 1 8 8 THR CA C 8 58.419 58.419 59.301 -0.882 18262 8752 1 15 . 1 1 8 8 THR CB C 8 69.385 69.385 68.404 0.980 18262 8753 1 15 . 1 1 8 8 THR H H 8 7.981 7.981 8.016 -0.035 18262 8754 1 15 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.703 0.249 18262 8755 1 15 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.857 -0.822 18262 8756 1 15 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.085 0.574 18262 8757 1 15 . 1 1 10 10 TRP N N 10 111.703 111.703 115.211 -3.508 18262 8758 1 15 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.633 0.263 18262 8759 1 15 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.861 -2.392 18262 8760 1 15 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.352 2.894 18262 8761 1 15 . 1 1 10 10 TRP H H 10 6.710 6.710 7.248 -0.538 18262 8762 1 15 . 1 1 11 11 THR N N 11 106.459 106.459 115.625 -9.166 18262 8763 1 15 . 1 1 11 11 THR HA H 11 3.893 3.893 4.180 -0.287 18262 8764 1 15 . 1 1 11 11 THR CA C 11 64.050 64.050 64.400 -0.350 18262 8765 1 15 . 1 1 11 11 THR CB C 11 69.312 69.312 68.998 0.314 18262 8766 1 15 . 1 1 11 11 THR H H 11 7.197 7.197 7.726 -0.529 18262 8767 1 15 . 1 1 12 12 ASN N N 12 116.465 116.465 118.030 -1.565 18262 8768 1 15 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.126 -0.018 18262 8769 1 15 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.878 0.447 18262 8770 1 15 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.844 -0.215 18262 8771 1 15 . 1 1 12 12 ASN H H 12 7.285 7.285 7.491 -0.206 18262 8772 1 15 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.319 -0.120 18262 8773 1 15 . 1 1 13 13 PRO CA C 13 65.511 65.511 66.154 -0.643 18262 8774 1 15 . 1 1 13 13 PRO CB C 13 32.552 32.552 31.949 0.603 18262 8775 1 15 . 1 1 14 14 GLY N N 14 109.155 109.155 106.546 2.609 18262 8776 1 15 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.878 0.276 18262 8777 1 15 . 1 1 14 14 GLY H H 14 8.364 8.364 8.511 -0.147 18262 8778 1 15 . 1 1 15 15 LEU N N 15 124.654 124.654 122.858 1.796 18262 8779 1 15 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.115 0.222 18262 8780 1 15 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.110 0.437 18262 8781 1 15 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.742 -0.072 18262 8782 1 15 . 1 1 15 15 LEU H H 15 7.910 7.910 7.896 0.014 18262 8783 1 15 . 1 1 16 16 ALA N N 16 121.271 121.271 122.029 -0.758 18262 8784 1 15 . 1 1 16 16 ALA HA H 16 4.004 4.004 3.997 0.007 18262 8785 1 15 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.660 0.770 18262 8786 1 15 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.010 1.443 18262 8787 1 15 . 1 1 16 16 ALA H H 16 8.440 8.440 8.701 -0.261 18262 8788 1 15 . 1 1 17 17 GLU N N 17 117.125 117.125 119.433 -2.308 18262 8789 1 15 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.959 0.002 18262 8790 1 15 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.945 -0.332 18262 8791 1 15 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.701 0.301 18262 8792 1 15 . 1 1 17 17 GLU H H 17 7.971 7.971 8.395 -0.424 18262 8793 1 15 . 1 1 18 18 ASN N N 18 118.526 118.526 118.284 0.242 18262 8794 1 15 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.516 0.027 18262 8795 1 15 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.937 -0.641 18262 8796 1 15 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.708 -0.386 18262 8797 1 15 . 1 1 18 18 ASN H H 18 8.071 8.071 8.037 0.034 18262 8798 1 15 . 1 1 19 19 PHE N N 19 122.197 122.197 123.301 -1.104 18262 8799 1 15 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.151 -0.276 18262 8800 1 15 . 1 1 19 19 PHE CA C 19 62.300 62.300 62.010 0.290 18262 8801 1 15 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.089 0.410 18262 8802 1 15 . 1 1 19 19 PHE H H 19 9.658 9.658 9.037 0.621 18262 8803 1 15 . 1 1 20 20 MET N N 20 118.488 118.488 117.549 0.939 18262 8804 1 15 . 1 1 20 20 MET HA H 20 4.432 4.432 3.970 0.462 18262 8805 1 15 . 1 1 20 20 MET CA C 20 57.732 57.732 57.893 -0.161 18262 8806 1 15 . 1 1 20 20 MET CB C 20 31.999 31.999 31.487 0.512 18262 8807 1 15 . 1 1 20 20 MET H H 20 8.874 8.874 8.819 0.055 18262 8808 1 15 . 1 1 21 21 ASN N N 21 118.434 118.434 119.316 -0.882 18262 8809 1 15 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.486 0.053 18262 8810 1 15 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.905 -0.637 18262 8811 1 15 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.517 -0.531 18262 8812 1 15 . 1 1 21 21 ASN H H 21 8.468 8.468 8.404 0.064 18262 8813 1 15 . 1 1 22 22 SER N N 22 116.181 116.181 115.910 0.271 18262 8814 1 15 . 1 1 22 22 SER HA H 22 4.193 4.193 4.172 0.021 18262 8815 1 15 . 1 1 22 22 SER CA C 22 62.195 62.195 61.992 0.202 18262 8816 1 15 . 1 1 22 22 SER CB C 22 62.997 62.997 62.988 0.009 18262 8817 1 15 . 1 1 22 22 SER H H 22 7.936 7.936 8.363 -0.427 18262 8818 1 15 . 1 1 23 23 PHE N N 23 125.045 125.045 122.979 2.066 18262 8819 1 15 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.086 -0.072 18262 8820 1 15 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.580 -0.117 18262 8821 1 15 . 1 1 23 23 PHE CB C 23 38.969 38.969 39.295 -0.326 18262 8822 1 15 . 1 1 23 23 PHE H H 23 9.054 9.054 8.184 0.870 18262 8823 1 15 . 1 1 24 24 MET N N 24 117.336 117.336 119.422 -2.086 18262 8824 1 15 . 1 1 24 24 MET HA H 24 4.029 4.029 3.758 0.271 18262 8825 1 15 . 1 1 24 24 MET CA C 24 56.117 56.117 58.322 -2.205 18262 8826 1 15 . 1 1 24 24 MET CB C 24 30.378 30.378 32.233 -1.855 18262 8827 1 15 . 1 1 24 24 MET H H 24 8.314 8.314 8.642 -0.328 18262 8828 1 15 . 1 1 25 25 GLN N N 25 120.286 120.286 117.001 3.285 18262 8829 1 15 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.294 -0.312 18262 8830 1 15 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.068 1.138 18262 8831 1 15 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.325 -0.021 18262 8832 1 15 . 1 1 25 25 GLN H H 25 8.044 8.044 8.583 -0.539 18262 8833 1 15 . 1 1 26 26 GLY N N 26 107.817 107.817 107.335 0.482 18262 8834 1 15 . 1 1 26 26 GLY CA C 26 47.018 47.018 45.629 1.389 18262 8835 1 15 . 1 1 26 26 GLY H H 26 8.101 8.101 7.377 0.724 18262 8836 1 15 . 1 1 27 27 LEU N N 27 122.926 122.926 122.831 0.095 18262 8837 1 15 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.960 -0.174 18262 8838 1 15 . 1 1 27 27 LEU CA C 27 57.394 57.394 57.364 0.030 18262 8839 1 15 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.614 0.494 18262 8840 1 15 . 1 1 27 27 LEU H H 27 8.391 8.391 8.286 0.105 18262 8841 1 15 . 1 1 28 28 SER N N 28 109.497 109.497 112.259 -2.762 18262 8842 1 15 . 1 1 28 28 SER HA H 28 4.150 4.150 4.243 -0.093 18262 8843 1 15 . 1 1 28 28 SER CA C 28 61.223 61.223 60.369 0.854 18262 8844 1 15 . 1 1 28 28 SER CB C 28 63.390 63.390 62.865 0.525 18262 8845 1 15 . 1 1 28 28 SER H H 28 7.519 7.519 7.855 -0.336 18262 8846 1 15 . 1 1 29 29 SER N N 29 114.590 114.590 116.032 -1.442 18262 8847 1 15 . 1 1 29 29 SER HA H 29 4.739 4.739 4.543 0.196 18262 8848 1 15 . 1 1 29 29 SER CA C 29 58.035 58.035 58.203 -0.168 18262 8849 1 15 . 1 1 29 29 SER CB C 29 64.626 64.626 64.622 0.004 18262 8850 1 15 . 1 1 29 29 SER H H 29 7.451 7.451 7.674 -0.223 18262 8851 1 15 . 1 1 30 30 MET N N 30 122.408 122.408 123.278 -0.870 18262 8852 1 15 . 1 1 30 30 MET HA H 30 4.946 4.946 4.866 0.080 18262 8853 1 15 . 1 1 30 30 MET CA C 30 53.633 53.633 53.166 0.467 18262 8854 1 15 . 1 1 30 30 MET CB C 30 32.300 32.300 32.725 -0.425 18262 8855 1 15 . 1 1 30 30 MET H H 30 7.659 7.659 7.618 0.041 18262 8856 1 15 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.345 0.323 18262 8857 1 15 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.690 -0.740 18262 8858 1 15 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.580 0.232 18262 8859 1 15 . 1 1 32 32 GLY N N 32 106.245 106.245 108.042 -1.797 18262 8860 1 15 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.806 0.985 18262 8861 1 15 . 1 1 32 32 GLY H H 32 8.407 8.407 8.520 -0.113 18262 8862 1 15 . 1 1 33 33 PHE N N 33 116.330 116.330 122.343 -6.013 18262 8863 1 15 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.794 0.363 18262 8864 1 15 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.653 -0.720 18262 8865 1 15 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.422 1.690 18262 8866 1 15 . 1 1 33 33 PHE H H 33 7.865 7.865 7.314 0.551 18262 8867 1 15 . 1 1 34 34 THR N N 34 113.680 113.680 117.638 -3.958 18262 8868 1 15 . 1 1 34 34 THR HA H 34 4.544 4.544 4.637 -0.093 18262 8869 1 15 . 1 1 34 34 THR CA C 34 60.409 60.409 59.984 0.425 18262 8870 1 15 . 1 1 34 34 THR CB C 34 70.714 70.714 71.168 -0.454 18262 8871 1 15 . 1 1 34 34 THR H H 34 8.895 8.895 8.431 0.464 18262 8872 1 15 . 1 1 35 35 ALA N N 35 123.074 123.074 125.446 -2.372 18262 8873 1 15 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.093 -0.008 18262 8874 1 15 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.221 0.676 18262 8875 1 15 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.155 0.013 18262 8876 1 15 . 1 1 35 35 ALA H H 35 8.880 8.880 8.810 0.070 18262 8877 1 15 . 1 1 36 36 SER N N 36 112.915 112.915 113.959 -1.044 18262 8878 1 15 . 1 1 36 36 SER HA H 36 4.273 4.273 4.196 0.077 18262 8879 1 15 . 1 1 36 36 SER CA C 36 61.473 61.473 61.548 -0.075 18262 8880 1 15 . 1 1 36 36 SER CB C 36 62.441 62.441 62.218 0.223 18262 8881 1 15 . 1 1 36 36 SER H H 36 8.413 8.413 8.404 0.009 18262 8882 1 15 . 1 1 37 37 GLN N N 37 121.627 121.627 121.022 0.605 18262 8883 1 15 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.194 0.082 18262 8884 1 15 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.849 -0.141 18262 8885 1 15 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.643 0.550 18262 8886 1 15 . 1 1 37 37 GLN H H 37 7.639 7.639 7.769 -0.130 18262 8887 1 15 . 1 1 38 38 LEU N N 38 119.757 119.757 119.626 0.131 18262 8888 1 15 . 1 1 38 38 LEU HA H 38 3.827 3.827 4.004 -0.177 18262 8889 1 15 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.399 1.600 18262 8890 1 15 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.311 0.715 18262 8891 1 15 . 1 1 38 38 LEU H H 38 8.351 8.351 7.718 0.633 18262 8892 1 15 . 1 1 39 39 ASP N N 39 122.097 122.097 120.831 1.266 18262 8893 1 15 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.296 0.140 18262 8894 1 15 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.233 -0.453 18262 8895 1 15 . 1 1 39 39 ASP CB C 39 40.372 40.372 41.012 -0.640 18262 8896 1 15 . 1 1 39 39 ASP H H 39 7.962 7.962 8.321 -0.359 18262 8897 1 15 . 1 1 40 40 ASP N N 40 122.033 122.033 119.929 2.104 18262 8898 1 15 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.485 0.005 18262 8899 1 15 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.867 1.023 18262 8900 1 15 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.183 -0.923 18262 8901 1 15 . 1 1 40 40 ASP H H 40 8.052 8.052 7.666 0.386 18262 8902 1 15 . 1 1 41 41 MET N N 41 121.130 121.130 119.232 1.898 18262 8903 1 15 . 1 1 41 41 MET HA H 41 4.191 4.191 4.114 0.077 18262 8904 1 15 . 1 1 41 41 MET CA C 41 57.798 57.798 59.543 -1.745 18262 8905 1 15 . 1 1 41 41 MET CB C 41 31.529 31.529 32.543 -1.014 18262 8906 1 15 . 1 1 41 41 MET H H 41 8.708 8.708 8.479 0.229 18262 8907 1 15 . 1 1 42 42 SER N N 42 116.303 116.303 115.373 0.930 18262 8908 1 15 . 1 1 42 42 SER HA H 42 4.301 4.301 4.198 0.103 18262 8909 1 15 . 1 1 42 42 SER CA C 42 62.145 62.145 62.239 -0.094 18262 8910 1 15 . 1 1 42 42 SER CB C 42 62.835 62.835 62.831 0.004 18262 8911 1 15 . 1 1 42 42 SER H H 42 8.364 8.364 8.471 -0.107 18262 8912 1 15 . 1 1 43 43 THR N N 43 119.136 119.136 120.204 -1.068 18262 8913 1 15 . 1 1 43 43 THR HA H 43 4.051 4.051 4.076 -0.025 18262 8914 1 15 . 1 1 43 43 THR CA C 43 66.673 66.673 67.133 -0.460 18262 8915 1 15 . 1 1 43 43 THR CB C 43 68.635 68.635 68.812 -0.177 18262 8916 1 15 . 1 1 43 43 THR H H 43 7.944 7.944 7.625 0.319 18262 8917 1 15 . 1 1 44 44 ILE N N 44 122.789 122.789 121.826 0.963 18262 8918 1 15 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.629 0.319 18262 8919 1 15 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.319 -0.672 18262 8920 1 15 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.543 0.504 18262 8921 1 15 . 1 1 44 44 ILE H H 44 7.856 7.856 8.443 -0.587 18262 8922 1 15 . 1 1 45 45 ALA N N 45 124.903 124.903 122.439 2.464 18262 8923 1 15 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.024 0.110 18262 8924 1 15 . 1 1 45 45 ALA CA C 45 56.079 56.079 55.133 0.946 18262 8925 1 15 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.043 0.935 18262 8926 1 15 . 1 1 45 45 ALA H H 45 8.868 8.868 8.447 0.421 18262 8927 1 15 . 1 1 46 46 GLN N N 46 116.435 116.435 118.553 -2.118 18262 8928 1 15 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.010 0.054 18262 8929 1 15 . 1 1 46 46 GLN CA C 46 58.973 58.973 59.045 -0.072 18262 8930 1 15 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.751 -0.431 18262 8931 1 15 . 1 1 46 46 GLN H H 46 8.253 8.253 8.177 0.076 18262 8932 1 15 . 1 1 47 47 SER N N 47 116.211 116.211 116.178 0.033 18262 8933 1 15 . 1 1 47 47 SER HA H 47 4.249 4.249 4.490 -0.241 18262 8934 1 15 . 1 1 47 47 SER CA C 47 61.766 61.766 60.920 0.845 18262 8935 1 15 . 1 1 47 47 SER CB C 47 62.874 62.874 62.856 0.018 18262 8936 1 15 . 1 1 47 47 SER H H 47 8.242 8.242 8.569 -0.327 18262 8937 1 15 . 1 1 48 48 MET N N 48 122.179 122.179 122.508 -0.329 18262 8938 1 15 . 1 1 48 48 MET HA H 48 4.109 4.109 4.173 -0.064 18262 8939 1 15 . 1 1 48 48 MET CA C 48 57.695 57.695 57.818 -0.123 18262 8940 1 15 . 1 1 48 48 MET CB C 48 31.370 31.370 31.987 -0.617 18262 8941 1 15 . 1 1 48 48 MET H H 48 8.198 8.198 8.501 -0.303 18262 8942 1 15 . 1 1 49 49 VAL N N 49 118.918 118.918 119.112 -0.194 18262 8943 1 15 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.583 -0.304 18262 8944 1 15 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.765 1.172 18262 8945 1 15 . 1 1 49 49 VAL CB C 49 31.553 31.553 30.745 0.808 18262 8946 1 15 . 1 1 49 49 VAL H H 49 7.791 7.791 7.855 -0.064 18262 8947 1 15 . 1 1 50 50 GLN N N 50 118.407 118.407 119.224 -0.817 18262 8948 1 15 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.183 -0.091 18262 8949 1 15 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.130 -0.004 18262 8950 1 15 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.308 -0.106 18262 8951 1 15 . 1 1 50 50 GLN H H 50 8.206 8.206 8.380 -0.174 18262 8952 1 15 . 1 1 51 51 SER N N 51 117.680 117.680 116.620 1.060 18262 8953 1 15 . 1 1 51 51 SER HA H 51 4.209 4.209 4.180 0.029 18262 8954 1 15 . 1 1 51 51 SER CA C 51 62.766 62.766 62.421 0.345 18262 8955 1 15 . 1 1 51 51 SER CB C 51 63.014 63.014 62.727 0.287 18262 8956 1 15 . 1 1 51 51 SER H H 51 8.394 8.394 7.911 0.483 18262 8957 1 15 . 1 1 52 52 ILE N N 52 123.233 123.233 122.215 1.018 18262 8958 1 15 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.699 -0.136 18262 8959 1 15 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.778 0.103 18262 8960 1 15 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.514 0.356 18262 8961 1 15 . 1 1 52 52 ILE H H 52 8.135 8.135 7.755 0.380 18262 8962 1 15 . 1 1 53 53 GLN N N 53 119.911 119.911 120.150 -0.239 18262 8963 1 15 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.924 0.001 18262 8964 1 15 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.632 -0.061 18262 8965 1 15 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.415 -0.482 18262 8966 1 15 . 1 1 53 53 GLN H H 53 8.600 8.600 8.537 0.063 18262 8967 1 15 . 1 1 54 54 SER N N 54 115.414 115.414 115.273 0.141 18262 8968 1 15 . 1 1 54 54 SER HA H 54 4.308 4.308 4.189 0.119 18262 8969 1 15 . 1 1 54 54 SER CA C 54 61.468 61.468 61.403 0.065 18262 8970 1 15 . 1 1 54 54 SER CB C 54 62.950 62.950 63.051 -0.101 18262 8971 1 15 . 1 1 54 54 SER H H 54 8.304 8.304 8.092 0.212 18262 8972 1 15 . 1 1 55 55 LEU N N 55 121.576 121.576 122.590 -1.014 18262 8973 1 15 . 1 1 55 55 LEU HA H 55 4.065 4.065 3.968 0.097 18262 8974 1 15 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.848 -0.135 18262 8975 1 15 . 1 1 55 55 LEU CB C 55 42.353 42.353 42.025 0.328 18262 8976 1 15 . 1 1 55 55 LEU H H 55 7.881 7.881 7.693 0.188 18262 8977 1 15 . 1 1 56 56 ALA N N 56 121.244 121.244 119.331 1.913 18262 8978 1 15 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.182 0.050 18262 8979 1 15 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.803 0.598 18262 8980 1 15 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.707 -0.445 18262 8981 1 15 . 1 1 56 56 ALA H H 56 8.007 8.007 8.390 -0.383 18262 8982 1 15 . 1 1 57 57 ALA N N 57 121.370 121.370 120.890 0.480 18262 8983 1 15 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.085 0.128 18262 8984 1 15 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.378 0.138 18262 8985 1 15 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.417 0.123 18262 8986 1 15 . 1 1 57 57 ALA H H 57 8.026 8.026 7.949 0.077 18262 8987 1 15 . 1 1 58 58 GLN N N 58 114.464 114.464 117.438 -2.974 18262 8988 1 15 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.291 0.053 18262 8989 1 15 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.472 0.555 18262 8990 1 15 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.290 0.397 18262 8991 1 15 . 1 1 58 58 GLN H H 58 7.759 7.759 7.920 -0.161 18262 8992 1 15 . 1 1 59 59 GLY N N 59 108.318 108.318 108.898 -0.580 18262 8993 1 15 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.349 0.787 18262 8994 1 15 . 1 1 59 59 GLY H H 59 7.905 7.905 7.993 -0.088 18262 8995 1 15 . 1 1 60 60 ARG N N 60 118.325 118.325 121.210 -2.885 18262 8996 1 15 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.680 -0.154 18262 8997 1 15 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.235 0.493 18262 8998 1 15 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.671 0.019 18262 8999 1 15 . 1 1 60 60 ARG H H 60 8.097 8.097 7.789 0.308 18262 9000 1 15 . 1 1 61 61 THR N N 61 116.640 116.640 118.643 -2.003 18262 9001 1 15 . 1 1 61 61 THR HA H 61 4.782 4.782 4.695 0.087 18262 9002 1 15 . 1 1 61 61 THR CA C 61 63.339 63.339 61.463 1.876 18262 9003 1 15 . 1 1 61 61 THR CB C 61 68.819 68.819 71.308 -2.490 18262 9004 1 15 . 1 1 61 61 THR H H 61 8.038 8.038 7.884 0.154 18262 9005 1 15 . 1 1 62 62 SER N N 62 119.882 119.882 116.803 3.079 18262 9006 1 15 . 1 1 62 62 SER HA H 62 4.899 4.899 5.045 -0.146 18262 9007 1 15 . 1 1 62 62 SER CA C 62 56.263 56.263 54.774 1.489 18262 9008 1 15 . 1 1 62 62 SER CB C 62 63.827 63.827 65.867 -2.040 18262 9009 1 15 . 1 1 62 62 SER H H 62 7.792 7.792 8.181 -0.389 18262 9010 1 15 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.241 0.058 18262 9011 1 15 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.264 0.552 18262 9012 1 15 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.870 0.347 18262 9013 1 15 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.525 0.022 18262 9014 1 15 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.718 0.477 18262 9015 1 15 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.587 0.483 18262 9016 1 15 . 1 1 65 65 LYS N N 65 121.063 121.063 120.318 0.745 18262 9017 1 15 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.108 0.074 18262 9018 1 15 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.999 -0.447 18262 9019 1 15 . 1 1 65 65 LYS CB C 65 32.707 32.707 31.933 0.774 18262 9020 1 15 . 1 1 65 65 LYS H H 65 7.762 7.762 7.812 -0.050 18262 9021 1 15 . 1 1 66 66 LEU N N 66 119.082 119.082 117.953 1.129 18262 9022 1 15 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.237 -0.174 18262 9023 1 15 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.594 0.404 18262 9024 1 15 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.476 0.985 18262 9025 1 15 . 1 1 66 66 LEU H H 66 7.934 7.934 7.812 0.122 18262 9026 1 15 . 1 1 67 67 GLN N N 67 119.220 119.220 118.115 1.105 18262 9027 1 15 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.277 -0.070 18262 9028 1 15 . 1 1 67 67 GLN CA C 67 59.087 59.087 58.131 0.956 18262 9029 1 15 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.453 -0.239 18262 9030 1 15 . 1 1 67 67 GLN H H 67 8.201 8.201 7.584 0.617 18262 9031 1 15 . 1 1 68 68 ALA N N 68 121.749 121.749 123.441 -1.692 18262 9032 1 15 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.159 0.020 18262 9033 1 15 . 1 1 68 68 ALA CA C 68 55.275 55.275 55.010 0.265 18262 9034 1 15 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.377 -0.272 18262 9035 1 15 . 1 1 68 68 ALA H H 68 7.739 7.739 8.168 -0.429 18262 9036 1 15 . 1 1 69 69 LEU N N 69 120.591 120.591 118.132 2.459 18262 9037 1 15 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.729 0.266 18262 9038 1 15 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.814 0.160 18262 9039 1 15 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.265 0.073 18262 9040 1 15 . 1 1 69 69 LEU H H 69 7.888 7.888 8.640 -0.752 18262 9041 1 15 . 1 1 70 70 ASN N N 70 119.586 119.586 116.923 2.663 18262 9042 1 15 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.222 -0.691 18262 9043 1 15 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.141 0.879 18262 9044 1 15 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.651 0.197 18262 9045 1 15 . 1 1 70 70 ASN H H 70 8.356 8.356 7.950 0.406 18262 9046 1 15 . 1 1 71 71 MET N N 71 117.354 117.354 118.003 -0.649 18262 9047 1 15 . 1 1 71 71 MET HA H 71 4.271 4.271 4.523 -0.252 18262 9048 1 15 . 1 1 71 71 MET CA C 71 59.088 59.088 58.169 0.919 18262 9049 1 15 . 1 1 71 71 MET CB C 71 32.746 32.746 32.618 0.128 18262 9050 1 15 . 1 1 71 71 MET H H 71 8.207 8.207 7.419 0.788 18262 9051 1 15 . 1 1 72 72 ALA N N 72 123.354 123.354 123.680 -0.326 18262 9052 1 15 . 1 1 72 72 ALA HA H 72 4.074 4.074 4.001 0.073 18262 9053 1 15 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.188 -0.061 18262 9054 1 15 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.110 0.047 18262 9055 1 15 . 1 1 72 72 ALA H H 72 8.075 8.075 7.922 0.153 18262 9056 1 15 . 1 1 73 73 PHE N N 73 120.968 120.968 117.057 3.911 18262 9057 1 15 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.639 -0.121 18262 9058 1 15 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.589 0.843 18262 9059 1 15 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.931 1.666 18262 9060 1 15 . 1 1 73 73 PHE H H 73 8.546 8.546 7.935 0.611 18262 9061 1 15 . 1 1 74 74 ALA N N 74 119.865 119.865 123.228 -3.363 18262 9062 1 15 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.702 0.039 18262 9063 1 15 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.548 0.846 18262 9064 1 15 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.711 2.698 18262 9065 1 15 . 1 1 74 74 ALA H H 74 8.593 8.593 7.323 1.270 18262 9066 1 15 . 1 1 75 75 SER N N 75 112.870 112.870 114.345 -1.475 18262 9067 1 15 . 1 1 75 75 SER HA H 75 3.581 3.581 4.038 -0.457 18262 9068 1 15 . 1 1 75 75 SER CA C 75 61.879 61.879 61.347 0.532 18262 9069 1 15 . 1 1 75 75 SER CB C 75 62.010 62.010 62.576 -0.566 18262 9070 1 15 . 1 1 75 75 SER H H 75 8.501 8.501 8.110 0.391 18262 9071 1 15 . 1 1 76 76 SER N N 76 118.492 118.492 117.056 1.436 18262 9072 1 15 . 1 1 76 76 SER HA H 76 4.301 4.301 4.256 0.045 18262 9073 1 15 . 1 1 76 76 SER CA C 76 62.748 62.748 61.437 1.311 18262 9074 1 15 . 1 1 76 76 SER CB C 76 63.013 63.013 62.990 0.023 18262 9075 1 15 . 1 1 76 76 SER H H 76 8.152 8.152 7.705 0.447 18262 9076 1 15 . 1 1 77 77 MET N N 77 120.358 120.358 121.282 -0.924 18262 9077 1 15 . 1 1 77 77 MET HA H 77 3.999 3.999 4.293 -0.294 18262 9078 1 15 . 1 1 77 77 MET CA C 77 60.024 60.024 58.640 1.384 18262 9079 1 15 . 1 1 77 77 MET CB C 77 34.657 34.657 32.329 2.328 18262 9080 1 15 . 1 1 77 77 MET H H 77 8.130 8.130 7.791 0.339 18262 9081 1 15 . 1 1 78 78 ALA N N 78 121.547 121.547 122.437 -0.890 18262 9082 1 15 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.062 -0.136 18262 9083 1 15 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.570 0.026 18262 9084 1 15 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.026 2.373 18262 9085 1 15 . 1 1 78 78 ALA H H 78 8.534 8.534 7.973 0.561 18262 9086 1 15 . 1 1 79 79 GLU N N 79 116.654 116.654 117.005 -0.351 18262 9087 1 15 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.212 -0.232 18262 9088 1 15 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.029 1.373 18262 9089 1 15 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.674 0.149 18262 9090 1 15 . 1 1 79 79 GLU H H 79 7.557 7.557 7.919 -0.362 18262 9091 1 15 . 1 1 80 80 ILE N N 80 118.293 118.293 120.098 -1.805 18262 9092 1 15 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.942 0.016 18262 9093 1 15 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.940 -0.155 18262 9094 1 15 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.355 -0.048 18262 9095 1 15 . 1 1 80 80 ILE H H 80 7.239 7.239 7.272 -0.033 18262 9096 1 15 . 1 1 81 81 ALA N N 81 121.511 121.511 123.309 -1.798 18262 9097 1 15 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.098 -0.138 18262 9098 1 15 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.729 0.009 18262 9099 1 15 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.407 -0.450 18262 9100 1 15 . 1 1 81 81 ALA H H 81 8.595 8.595 8.740 -0.145 18262 9101 1 15 . 1 1 82 82 ALA N N 82 116.183 116.183 117.451 -1.268 18262 9102 1 15 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.264 0.024 18262 9103 1 15 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.561 1.040 18262 9104 1 15 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.741 0.653 18262 9105 1 15 . 1 1 82 82 ALA H H 82 8.001 8.001 7.684 0.317 18262 9106 1 15 . 1 1 83 83 SER N N 83 113.212 113.212 114.975 -1.763 18262 9107 1 15 . 1 1 83 83 SER HA H 83 4.319 4.319 4.523 -0.204 18262 9108 1 15 . 1 1 83 83 SER CA C 83 59.243 59.243 58.163 1.080 18262 9109 1 15 . 1 1 83 83 SER CB C 83 63.971 63.971 63.759 0.212 18262 9110 1 15 . 1 1 83 83 SER H H 83 7.391 7.391 7.638 -0.247 18262 9111 1 15 . 1 1 84 84 GLU N N 84 123.385 123.385 125.120 -1.735 18262 9112 1 15 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.369 0.062 18262 9113 1 15 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.049 0.607 18262 9114 1 15 . 1 1 84 84 GLU CB C 84 30.576 30.576 30.060 0.516 18262 9115 1 15 . 1 1 84 84 GLU H H 84 8.421 8.421 8.653 -0.232 18262 9116 1 15 . 1 1 85 85 GLU N N 85 121.674 121.674 119.790 1.884 18262 9117 1 15 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.173 0.101 18262 9118 1 15 . 1 1 85 85 GLU CA C 85 57.127 57.127 57.726 -0.599 18262 9119 1 15 . 1 1 85 85 GLU CB C 85 30.191 30.191 29.637 0.554 18262 9120 1 15 . 1 1 85 85 GLU H H 85 8.407 8.407 7.823 0.584 18262 9121 1 15 . 1 1 86 86 GLY N N 86 110.617 110.617 111.878 -1.261 18262 9122 1 15 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.204 0.520 18262 9123 1 15 . 1 1 86 86 GLY H H 86 8.564 8.564 8.765 -0.201 18262 9124 1 15 . 1 1 87 87 GLY N N 87 108.562 108.562 108.815 -0.253 18262 9125 1 15 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.090 0.376 18262 9126 1 15 . 1 1 87 87 GLY H H 87 8.257 8.257 8.210 0.047 18262 9127 1 15 . 1 1 88 88 GLY N N 88 107.890 107.890 106.747 1.143 18262 9128 1 15 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.672 0.212 18262 9129 1 15 . 1 1 88 88 GLY H H 88 8.100 8.100 8.009 0.091 18262 9130 1 15 . 1 1 89 89 SER N N 89 115.889 115.889 116.651 -0.762 18262 9131 1 15 . 1 1 89 89 SER HA H 89 4.594 4.594 4.668 -0.074 18262 9132 1 15 . 1 1 89 89 SER CA C 89 57.382 57.382 55.934 1.448 18262 9133 1 15 . 1 1 89 89 SER CB C 89 65.271 65.271 64.438 0.833 18262 9134 1 15 . 1 1 89 89 SER H H 89 8.474 8.474 7.976 0.498 18262 9135 1 15 . 1 1 90 90 LEU N N 90 124.688 124.688 122.657 2.031 18262 9136 1 15 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.438 -0.314 18262 9137 1 15 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.436 1.124 18262 9138 1 15 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.218 -0.800 18262 9139 1 15 . 1 1 90 90 LEU H H 90 8.867 8.867 8.707 0.160 18262 9140 1 15 . 1 1 91 91 SER N N 91 114.045 114.045 113.892 0.153 18262 9141 1 15 . 1 1 91 91 SER CA C 91 61.331 61.331 61.547 -0.216 18262 9142 1 15 . 1 1 91 91 SER CB C 91 62.080 62.080 63.016 -0.936 18262 9143 1 15 . 1 1 91 91 SER H H 91 8.501 8.501 8.252 0.249 18262 9144 1 15 . 1 1 92 92 THR N N 92 121.036 121.036 118.504 2.532 18262 9145 1 15 . 1 1 92 92 THR HA H 92 4.006 4.006 3.966 0.040 18262 9146 1 15 . 1 1 92 92 THR CA C 92 66.537 66.537 66.571 -0.034 18262 9147 1 15 . 1 1 92 92 THR CB C 92 68.326 68.326 68.503 -0.177 18262 9148 1 15 . 1 1 92 92 THR H H 92 7.818 7.818 7.641 0.177 18262 9149 1 15 . 1 1 93 93 LYS N N 93 120.426 120.426 121.556 -1.130 18262 9150 1 15 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.754 0.035 18262 9151 1 15 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.534 1.580 18262 9152 1 15 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.754 1.715 18262 9153 1 15 . 1 1 93 93 LYS H H 93 8.146 8.146 7.408 0.738 18262 9154 1 15 . 1 1 94 94 THR N N 94 111.775 111.775 113.950 -2.175 18262 9155 1 15 . 1 1 94 94 THR HA H 94 3.933 3.933 4.098 -0.165 18262 9156 1 15 . 1 1 94 94 THR CA C 94 67.228 67.228 66.547 0.681 18262 9157 1 15 . 1 1 94 94 THR CB C 94 68.083 68.083 67.977 0.106 18262 9158 1 15 . 1 1 94 94 THR H H 94 8.881 8.881 8.225 0.656 18262 9159 1 15 . 1 1 95 95 SER N N 95 119.066 119.066 118.212 0.854 18262 9160 1 15 . 1 1 95 95 SER HA H 95 4.397 4.397 4.205 0.192 18262 9161 1 15 . 1 1 95 95 SER CA C 95 62.060 62.060 62.087 -0.028 18262 9162 1 15 . 1 1 95 95 SER CB C 95 62.693 62.693 62.634 0.059 18262 9163 1 15 . 1 1 95 95 SER H H 95 8.134 8.134 8.112 0.022 18262 9164 1 15 . 1 1 96 96 SER N N 96 121.588 121.588 118.691 2.897 18262 9165 1 15 . 1 1 96 96 SER HA H 96 4.462 4.462 4.280 0.182 18262 9166 1 15 . 1 1 96 96 SER CA C 96 62.623 62.623 62.224 0.400 18262 9167 1 15 . 1 1 96 96 SER CB C 96 62.866 62.866 63.305 -0.439 18262 9168 1 15 . 1 1 96 96 SER H H 96 8.642 8.642 7.375 1.267 18262 9169 1 15 . 1 1 97 97 ILE N N 97 122.467 122.467 123.099 -0.632 18262 9170 1 15 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.773 0.024 18262 9171 1 15 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.980 0.854 18262 9172 1 15 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.834 0.881 18262 9173 1 15 . 1 1 97 97 ILE H H 97 8.482 8.482 8.453 0.029 18262 9174 1 15 . 1 1 98 98 ALA N N 98 122.100 122.100 121.939 0.161 18262 9175 1 15 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.040 0.014 18262 9176 1 15 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.425 0.803 18262 9177 1 15 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.263 0.154 18262 9178 1 15 . 1 1 98 98 ALA H H 98 8.437 8.437 8.291 0.146 18262 9179 1 15 . 1 1 99 99 SER N N 99 115.737 115.737 115.058 0.679 18262 9180 1 15 . 1 1 99 99 SER HA H 99 4.366 4.366 4.251 0.115 18262 9181 1 15 . 1 1 99 99 SER CA C 99 62.029 62.029 62.119 -0.090 18262 9182 1 15 . 1 1 99 99 SER CB C 99 63.230 63.230 63.026 0.204 18262 9183 1 15 . 1 1 99 99 SER H H 99 8.658 8.658 7.623 1.035 18262 9184 1 15 . 1 1 100 100 ALA N N 100 124.292 124.292 125.442 -1.150 18262 9185 1 15 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.979 0.266 18262 9186 1 15 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.298 0.093 18262 9187 1 15 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.378 0.114 18262 9188 1 15 . 1 1 100 100 ALA H H 100 8.976 8.976 8.575 0.401 18262 9189 1 15 . 1 1 101 101 MET N N 101 119.143 119.143 116.953 2.190 18262 9190 1 15 . 1 1 101 101 MET HA H 101 4.054 4.054 4.047 0.007 18262 9191 1 15 . 1 1 101 101 MET CA C 101 61.026 61.026 59.591 1.435 18262 9192 1 15 . 1 1 101 101 MET CB C 101 34.483 34.483 32.697 1.786 18262 9193 1 15 . 1 1 101 101 MET H H 101 9.063 9.063 8.141 0.922 18262 9194 1 15 . 1 1 102 102 SER N N 102 116.778 116.778 115.585 1.193 18262 9195 1 15 . 1 1 102 102 SER HA H 102 4.363 4.363 4.242 0.121 18262 9196 1 15 . 1 1 102 102 SER CA C 102 63.348 63.348 61.500 1.848 18262 9197 1 15 . 1 1 102 102 SER CB C 102 62.593 62.593 63.215 -0.622 18262 9198 1 15 . 1 1 102 102 SER H H 102 8.693 8.693 8.068 0.625 18262 9199 1 15 . 1 1 103 103 ASN N N 103 117.982 117.982 118.455 -0.473 18262 9200 1 15 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.647 -0.183 18262 9201 1 15 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.704 0.958 18262 9202 1 15 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.967 -0.450 18262 9203 1 15 . 1 1 103 103 ASN H H 103 8.108 8.108 8.145 -0.037 18262 9204 1 15 . 1 1 104 104 ALA N N 104 122.272 122.272 122.878 -0.606 18262 9205 1 15 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.083 0.157 18262 9206 1 15 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.986 -0.143 18262 9207 1 15 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.426 -0.193 18262 9208 1 15 . 1 1 104 104 ALA H H 104 7.892 7.892 7.976 -0.084 18262 9209 1 15 . 1 1 105 105 PHE N N 105 119.096 119.096 117.483 1.613 18262 9210 1 15 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.701 -0.301 18262 9211 1 15 . 1 1 105 105 PHE CA C 105 63.843 63.843 57.874 5.969 18262 9212 1 15 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.478 0.009 18262 9213 1 15 . 1 1 105 105 PHE H H 105 8.580 8.580 8.131 0.449 18262 9214 1 15 . 1 1 106 106 LEU N N 106 121.540 121.540 117.939 3.601 18262 9215 1 15 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.157 -0.421 18262 9216 1 15 . 1 1 106 106 LEU CA C 106 59.156 59.156 56.411 2.745 18262 9217 1 15 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.740 -0.406 18262 9218 1 15 . 1 1 106 106 LEU H H 106 8.226 8.226 7.438 0.788 18262 9219 1 15 . 1 1 107 107 GLN N N 107 114.603 114.603 117.414 -2.811 18262 9220 1 15 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.337 -0.147 18262 9221 1 15 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.434 -0.017 18262 9222 1 15 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.478 1.013 18262 9223 1 15 . 1 1 107 107 GLN H H 107 8.132 8.132 7.813 0.319 18262 9224 1 15 . 1 1 108 108 THR N N 108 108.290 108.290 109.600 -1.310 18262 9225 1 15 . 1 1 108 108 THR HA H 108 4.518 4.518 4.350 0.168 18262 9226 1 15 . 1 1 108 108 THR CA C 108 62.483 62.483 63.152 -0.669 18262 9227 1 15 . 1 1 108 108 THR CB C 108 70.390 70.390 69.286 1.104 18262 9228 1 15 . 1 1 108 108 THR H H 108 7.726 7.726 7.014 0.712 18262 9229 1 15 . 1 1 109 109 THR N N 109 113.407 113.407 114.547 -1.140 18262 9230 1 15 . 1 1 109 109 THR HA H 109 4.586 4.586 4.364 0.222 18262 9231 1 15 . 1 1 109 109 THR CA C 109 62.325 62.325 61.779 0.546 18262 9232 1 15 . 1 1 109 109 THR CB C 109 70.696 70.696 70.172 0.524 18262 9233 1 15 . 1 1 109 109 THR H H 109 8.907 8.907 7.415 1.492 18262 9234 1 15 . 1 1 110 110 GLY N N 110 109.267 109.267 110.304 -1.037 18262 9235 1 15 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.118 0.450 18262 9236 1 15 . 1 1 110 110 GLY H H 110 8.361 8.361 7.634 0.727 18262 9237 1 15 . 1 1 111 111 VAL N N 111 119.375 119.375 119.791 -0.416 18262 9238 1 15 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.439 -0.184 18262 9239 1 15 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.524 0.358 18262 9240 1 15 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.319 1.117 18262 9241 1 15 . 1 1 111 111 VAL H H 111 7.784 7.784 7.355 0.429 18262 9242 1 15 . 1 1 112 112 VAL N N 112 125.327 125.327 123.785 1.542 18262 9243 1 15 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.603 -1.391 18262 9244 1 15 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.360 4.119 18262 9245 1 15 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.323 -1.627 18262 9246 1 15 . 1 1 112 112 VAL H H 112 8.747 8.747 8.179 0.568 18262 9247 1 15 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.826 -0.324 18262 9248 1 15 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.070 -1.877 18262 9249 1 15 . 1 1 113 113 ASN CB C 113 37.122 37.122 39.247 -2.125 18262 9250 1 15 . 1 1 114 114 GLN N N 114 124.067 124.067 128.717 -4.650 18262 9251 1 15 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.326 -0.389 18262 9252 1 15 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.085 -0.667 18262 9253 1 15 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.941 -0.394 18262 9254 1 15 . 1 1 114 114 GLN H H 114 8.394 8.394 8.933 -0.539 18262 9255 1 15 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.250 0.000 18262 9256 1 15 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.995 0.677 18262 9257 1 15 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.155 0.144 18262 9258 1 15 . 1 1 116 116 PHE N N 116 117.820 117.820 118.488 -0.668 18262 9259 1 15 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.198 0.004 18262 9260 1 15 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.088 0.243 18262 9261 1 15 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.910 0.609 18262 9262 1 15 . 1 1 116 116 PHE H H 116 7.268 7.268 8.110 -0.842 18262 9263 1 15 . 1 1 117 117 ILE N N 117 119.434 119.434 119.225 0.209 18262 9264 1 15 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.332 0.202 18262 9265 1 15 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.137 0.610 18262 9266 1 15 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.540 0.655 18262 9267 1 15 . 1 1 117 117 ILE H H 117 7.641 7.641 7.750 -0.109 18262 9268 1 15 . 1 1 118 118 ASN N N 118 119.834 119.834 119.034 0.800 18262 9269 1 15 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.486 -0.173 18262 9270 1 15 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.655 0.046 18262 9271 1 15 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.828 -0.307 18262 9272 1 15 . 1 1 118 118 ASN H H 118 8.985 8.985 8.452 0.533 18262 9273 1 15 . 1 1 119 119 GLU N N 119 121.164 121.164 121.406 -0.242 18262 9274 1 15 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.074 -0.051 18262 9275 1 15 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.050 0.587 18262 9276 1 15 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.238 0.478 18262 9277 1 15 . 1 1 119 119 GLU H H 119 8.090 8.090 8.408 -0.318 18262 9278 1 15 . 1 1 120 120 ILE N N 120 117.906 117.906 118.709 -0.803 18262 9279 1 15 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.676 0.078 18262 9280 1 15 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.946 -0.978 18262 9281 1 15 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.664 -0.850 18262 9282 1 15 . 1 1 120 120 ILE H H 120 8.025 8.025 8.303 -0.278 18262 9283 1 15 . 1 1 121 121 THR N N 121 112.720 112.720 113.782 -1.062 18262 9284 1 15 . 1 1 121 121 THR HA H 121 3.767 3.767 3.907 -0.140 18262 9285 1 15 . 1 1 121 121 THR CA C 121 67.203 67.203 66.516 0.687 18262 9286 1 15 . 1 1 121 121 THR CB C 121 68.380 68.380 68.179 0.201 18262 9287 1 15 . 1 1 121 121 THR H H 121 8.665 8.665 7.866 0.799 18262 9288 1 15 . 1 1 122 122 GLN N N 122 123.165 123.165 122.155 1.010 18262 9289 1 15 . 1 1 122 122 GLN HA H 122 4.088 4.088 3.981 0.107 18262 9290 1 15 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.716 0.546 18262 9291 1 15 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.389 -0.228 18262 9292 1 15 . 1 1 122 122 GLN H H 122 8.128 8.128 7.804 0.324 18262 9293 1 15 . 1 1 123 123 LEU N N 123 120.702 120.702 120.266 0.436 18262 9294 1 15 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.428 0.495 18262 9295 1 15 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.134 -0.016 18262 9296 1 15 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.425 1.565 18262 9297 1 15 . 1 1 123 123 LEU H H 123 8.173 8.173 8.453 -0.280 18262 9298 1 15 . 1 1 124 124 VAL N N 124 118.840 118.840 119.100 -0.260 18262 9299 1 15 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.748 -0.133 18262 9300 1 15 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.701 0.623 18262 9301 1 15 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.398 0.155 18262 9302 1 15 . 1 1 124 124 VAL H H 124 8.742 8.742 8.581 0.161 18262 9303 1 15 . 1 1 125 125 SER N N 125 112.613 112.613 115.023 -2.410 18262 9304 1 15 . 1 1 125 125 SER HA H 125 4.050 4.050 4.136 -0.086 18262 9305 1 15 . 1 1 125 125 SER CA C 125 62.568 62.568 61.928 0.640 18262 9306 1 15 . 1 1 125 125 SER CB C 125 62.960 62.960 63.023 -0.063 18262 9307 1 15 . 1 1 125 125 SER H H 125 7.883 7.883 7.578 0.305 18262 9308 1 15 . 1 1 126 126 MET N N 126 120.939 120.939 121.755 -0.816 18262 9309 1 15 . 1 1 126 126 MET HA H 126 4.052 4.052 4.165 -0.113 18262 9310 1 15 . 1 1 126 126 MET CA C 126 59.009 59.009 58.024 0.985 18262 9311 1 15 . 1 1 126 126 MET CB C 126 32.780 32.780 32.508 0.272 18262 9312 1 15 . 1 1 126 126 MET H H 126 8.091 8.091 7.706 0.385 18262 9313 1 15 . 1 1 127 127 PHE N N 127 118.732 118.732 117.814 0.918 18262 9314 1 15 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.171 0.294 18262 9315 1 15 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.916 0.680 18262 9316 1 15 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.862 1.049 18262 9317 1 15 . 1 1 127 127 PHE H H 127 8.755 8.755 8.551 0.204 18262 9318 1 15 . 1 1 128 128 ALA N N 128 121.647 121.647 121.285 0.362 18262 9319 1 15 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.020 0.197 18262 9320 1 15 . 1 1 128 128 ALA CA C 128 54.504 54.504 55.221 -0.716 18262 9321 1 15 . 1 1 128 128 ALA CB C 128 19.557 19.557 17.933 1.624 18262 9322 1 15 . 1 1 128 128 ALA H H 128 8.638 8.638 8.106 0.532 18262 9323 1 15 . 1 1 129 129 GLN N N 129 115.892 115.892 118.289 -2.397 18262 9324 1 15 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.169 0.054 18262 9325 1 15 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.840 -0.600 18262 9326 1 15 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.742 0.635 18262 9327 1 15 . 1 1 129 129 GLN H H 129 7.789 7.789 8.301 -0.512 18262 9328 1 15 . 1 1 130 130 ALA N N 130 122.349 122.349 119.651 2.698 18262 9329 1 15 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.598 -0.327 18262 9330 1 15 . 1 1 130 130 ALA CA C 130 53.907 53.907 51.235 2.672 18262 9331 1 15 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.864 -0.879 18262 9332 1 15 . 1 1 130 130 ALA H H 130 7.791 7.791 7.602 0.189 18262 9333 1 15 . 1 1 131 131 GLY N N 131 106.497 106.497 107.905 -1.408 18262 9334 1 15 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.610 1.162 18262 9335 1 15 . 1 1 131 131 GLY H H 131 8.157 8.157 7.724 0.433 18262 9336 1 15 . 1 1 132 132 MET N N 132 119.229 119.229 122.217 -2.988 18262 9337 1 15 . 1 1 132 132 MET HA H 132 4.473 4.473 4.385 0.088 18262 9338 1 15 . 1 1 132 132 MET CA C 132 55.973 55.973 54.668 1.305 18262 9339 1 15 . 1 1 132 132 MET CB C 132 33.129 33.129 30.899 2.230 18262 9340 1 15 . 1 1 132 132 MET H H 132 7.929 7.929 7.776 0.153 18262 9341 1 15 . 1 1 133 133 ASN N N 133 118.982 118.982 120.692 -1.710 18262 9342 1 15 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.692 0.049 18262 9343 1 15 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.049 0.319 18262 9344 1 15 . 1 1 133 133 ASN CB C 133 39.349 39.349 38.166 1.183 18262 9345 1 15 . 1 1 133 133 ASN H H 133 8.334 8.334 7.760 0.574 18262 9346 1 15 . 1 1 134 134 ASP N N 134 120.983 120.983 126.171 -5.188 18262 9347 1 15 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.880 -0.237 18262 9348 1 15 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.457 1.050 18262 9349 1 15 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.664 0.619 18262 9350 1 15 . 1 1 134 134 ASP H H 134 8.282 8.282 8.163 0.119 18262 9351 1 15 . 1 1 135 135 VAL N N 135 119.922 119.922 122.390 -2.468 18262 9352 1 15 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.251 -0.054 18262 9353 1 15 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.338 -1.011 18262 9354 1 15 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.690 0.024 18262 9355 1 15 . 1 1 135 135 VAL H H 135 8.080 8.080 8.323 -0.243 18262 9356 1 15 . 1 1 136 136 SER N N 136 119.994 119.994 116.534 3.460 18262 9357 1 15 . 1 1 136 136 SER HA H 136 4.459 4.459 4.426 0.033 18262 9358 1 15 . 1 1 136 136 SER CA C 136 58.412 58.412 58.820 -0.408 18262 9359 1 15 . 1 1 136 136 SER CB C 136 64.068 64.068 63.195 0.873 18262 9360 1 15 . 1 1 136 136 SER H H 136 8.397 8.397 8.273 0.124 18262 9361 1 16 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.767 0.504 18262 9362 1 16 . 1 1 4 4 ASN N N 4 124.122 124.122 118.442 5.680 18262 9363 1 16 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.037 1.790 18262 9364 1 16 . 1 1 4 4 ASN H H 4 7.979 7.979 8.690 -0.711 18262 9365 1 16 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.410 0.282 18262 9366 1 16 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.816 0.252 18262 9367 1 16 . 1 1 6 6 HIS CB C 6 31.102 31.102 29.780 1.322 18262 9368 1 16 . 1 1 7 7 THR N N 7 115.462 115.462 121.237 -5.775 18262 9369 1 16 . 1 1 7 7 THR HA H 7 4.312 4.312 4.054 0.258 18262 9370 1 16 . 1 1 7 7 THR CA C 7 62.316 62.316 62.824 -0.508 18262 9371 1 16 . 1 1 7 7 THR CB C 7 69.849 69.849 69.242 0.607 18262 9372 1 16 . 1 1 7 7 THR H H 7 8.132 8.132 8.414 -0.282 18262 9373 1 16 . 1 1 8 8 THR N N 8 115.752 115.752 121.910 -6.158 18262 9374 1 16 . 1 1 8 8 THR HA H 8 4.164 4.164 3.707 0.457 18262 9375 1 16 . 1 1 8 8 THR CA C 8 58.419 58.419 58.939 -0.520 18262 9376 1 16 . 1 1 8 8 THR CB C 8 69.385 69.385 69.425 -0.040 18262 9377 1 16 . 1 1 8 8 THR H H 8 7.981 7.981 7.578 0.403 18262 9378 1 16 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.712 0.240 18262 9379 1 16 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.203 -0.168 18262 9380 1 16 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.320 0.339 18262 9381 1 16 . 1 1 10 10 TRP N N 10 111.703 111.703 115.330 -3.627 18262 9382 1 16 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.723 0.173 18262 9383 1 16 . 1 1 10 10 TRP CA C 10 54.469 54.469 55.645 -1.176 18262 9384 1 16 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.715 2.531 18262 9385 1 16 . 1 1 10 10 TRP H H 10 6.710 6.710 6.925 -0.215 18262 9386 1 16 . 1 1 11 11 THR N N 11 106.459 106.459 112.950 -6.491 18262 9387 1 16 . 1 1 11 11 THR HA H 11 3.893 3.893 3.998 -0.105 18262 9388 1 16 . 1 1 11 11 THR CA C 11 64.050 64.050 64.231 -0.181 18262 9389 1 16 . 1 1 11 11 THR CB C 11 69.312 69.312 68.920 0.392 18262 9390 1 16 . 1 1 11 11 THR H H 11 7.197 7.197 7.524 -0.327 18262 9391 1 16 . 1 1 12 12 ASN N N 12 116.465 116.465 119.301 -2.836 18262 9392 1 16 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.135 -0.027 18262 9393 1 16 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.986 0.339 18262 9394 1 16 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.262 0.367 18262 9395 1 16 . 1 1 12 12 ASN H H 12 7.285 7.285 7.442 -0.157 18262 9396 1 16 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.299 -0.100 18262 9397 1 16 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.800 -0.289 18262 9398 1 16 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.137 0.415 18262 9399 1 16 . 1 1 14 14 GLY N N 14 109.155 109.155 105.807 3.348 18262 9400 1 16 . 1 1 14 14 GLY CA C 14 47.154 47.154 47.138 0.016 18262 9401 1 16 . 1 1 14 14 GLY H H 14 8.364 8.364 8.834 -0.470 18262 9402 1 16 . 1 1 15 15 LEU N N 15 124.654 124.654 123.299 1.355 18262 9403 1 16 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.061 0.276 18262 9404 1 16 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.156 0.391 18262 9405 1 16 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.722 -0.053 18262 9406 1 16 . 1 1 15 15 LEU H H 15 7.910 7.910 7.298 0.612 18262 9407 1 16 . 1 1 16 16 ALA N N 16 121.271 121.271 122.596 -1.325 18262 9408 1 16 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.227 -0.223 18262 9409 1 16 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.338 1.092 18262 9410 1 16 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.361 1.092 18262 9411 1 16 . 1 1 16 16 ALA H H 16 8.440 8.440 8.756 -0.316 18262 9412 1 16 . 1 1 17 17 GLU N N 17 117.125 117.125 119.457 -2.332 18262 9413 1 16 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.014 -0.053 18262 9414 1 16 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.756 -0.143 18262 9415 1 16 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.825 0.177 18262 9416 1 16 . 1 1 17 17 GLU H H 17 7.971 7.971 8.222 -0.251 18262 9417 1 16 . 1 1 18 18 ASN N N 18 118.526 118.526 118.362 0.164 18262 9418 1 16 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.523 0.020 18262 9419 1 16 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.958 -0.662 18262 9420 1 16 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.702 -0.380 18262 9421 1 16 . 1 1 18 18 ASN H H 18 8.071 8.071 8.242 -0.171 18262 9422 1 16 . 1 1 19 19 PHE N N 19 122.197 122.197 123.428 -1.231 18262 9423 1 16 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.185 -0.310 18262 9424 1 16 . 1 1 19 19 PHE CA C 19 62.300 62.300 62.011 0.289 18262 9425 1 16 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.164 0.335 18262 9426 1 16 . 1 1 19 19 PHE H H 19 9.658 9.658 9.039 0.619 18262 9427 1 16 . 1 1 20 20 MET N N 20 118.488 118.488 118.059 0.429 18262 9428 1 16 . 1 1 20 20 MET HA H 20 4.432 4.432 3.838 0.594 18262 9429 1 16 . 1 1 20 20 MET CA C 20 57.732 57.732 57.655 0.077 18262 9430 1 16 . 1 1 20 20 MET CB C 20 31.999 31.999 31.351 0.648 18262 9431 1 16 . 1 1 20 20 MET H H 20 8.874 8.874 8.528 0.346 18262 9432 1 16 . 1 1 21 21 ASN N N 21 118.434 118.434 118.724 -0.290 18262 9433 1 16 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.478 0.061 18262 9434 1 16 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.176 0.092 18262 9435 1 16 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.831 -0.845 18262 9436 1 16 . 1 1 21 21 ASN H H 21 8.468 8.468 8.532 -0.064 18262 9437 1 16 . 1 1 22 22 SER N N 22 116.181 116.181 116.315 -0.134 18262 9438 1 16 . 1 1 22 22 SER HA H 22 4.193 4.193 4.211 -0.018 18262 9439 1 16 . 1 1 22 22 SER CA C 22 62.195 62.195 61.920 0.274 18262 9440 1 16 . 1 1 22 22 SER CB C 22 62.997 62.997 63.133 -0.136 18262 9441 1 16 . 1 1 22 22 SER H H 22 7.936 7.936 8.355 -0.419 18262 9442 1 16 . 1 1 23 23 PHE N N 23 125.045 125.045 124.456 0.589 18262 9443 1 16 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.103 -0.089 18262 9444 1 16 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.319 -0.856 18262 9445 1 16 . 1 1 23 23 PHE CB C 23 38.969 38.969 39.038 -0.069 18262 9446 1 16 . 1 1 23 23 PHE H H 23 9.054 9.054 8.216 0.838 18262 9447 1 16 . 1 1 24 24 MET N N 24 117.336 117.336 117.052 0.284 18262 9448 1 16 . 1 1 24 24 MET HA H 24 4.029 4.029 3.738 0.291 18262 9449 1 16 . 1 1 24 24 MET CA C 24 56.117 56.117 59.269 -3.152 18262 9450 1 16 . 1 1 24 24 MET CB C 24 30.378 30.378 31.852 -1.474 18262 9451 1 16 . 1 1 24 24 MET H H 24 8.314 8.314 8.600 -0.286 18262 9452 1 16 . 1 1 25 25 GLN N N 25 120.286 120.286 118.431 1.855 18262 9453 1 16 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.089 -0.107 18262 9454 1 16 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.304 0.902 18262 9455 1 16 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.144 0.160 18262 9456 1 16 . 1 1 25 25 GLN H H 25 8.044 8.044 7.903 0.141 18262 9457 1 16 . 1 1 26 26 GLY N N 26 107.817 107.817 106.791 1.026 18262 9458 1 16 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.099 0.919 18262 9459 1 16 . 1 1 26 26 GLY H H 26 8.101 8.101 7.965 0.136 18262 9460 1 16 . 1 1 27 27 LEU N N 27 122.926 122.926 122.785 0.141 18262 9461 1 16 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.986 -0.200 18262 9462 1 16 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.481 0.913 18262 9463 1 16 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.364 0.744 18262 9464 1 16 . 1 1 27 27 LEU H H 27 8.391 8.391 8.169 0.222 18262 9465 1 16 . 1 1 28 28 SER N N 28 109.497 109.497 112.775 -3.278 18262 9466 1 16 . 1 1 28 28 SER HA H 28 4.150 4.150 4.235 -0.085 18262 9467 1 16 . 1 1 28 28 SER CA C 28 61.223 61.223 60.403 0.820 18262 9468 1 16 . 1 1 28 28 SER CB C 28 63.390 63.390 62.748 0.642 18262 9469 1 16 . 1 1 28 28 SER H H 28 7.519 7.519 7.777 -0.258 18262 9470 1 16 . 1 1 29 29 SER N N 29 114.590 114.590 115.323 -0.733 18262 9471 1 16 . 1 1 29 29 SER HA H 29 4.739 4.739 4.482 0.257 18262 9472 1 16 . 1 1 29 29 SER CA C 29 58.035 58.035 58.570 -0.535 18262 9473 1 16 . 1 1 29 29 SER CB C 29 64.626 64.626 64.137 0.489 18262 9474 1 16 . 1 1 29 29 SER H H 29 7.451 7.451 7.464 -0.013 18262 9475 1 16 . 1 1 30 30 MET N N 30 122.408 122.408 122.140 0.268 18262 9476 1 16 . 1 1 30 30 MET HA H 30 4.946 4.946 4.860 0.086 18262 9477 1 16 . 1 1 30 30 MET CA C 30 53.633 53.633 52.997 0.636 18262 9478 1 16 . 1 1 30 30 MET CB C 30 32.300 32.300 32.927 -0.627 18262 9479 1 16 . 1 1 30 30 MET H H 30 7.659 7.659 7.572 0.087 18262 9480 1 16 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.570 0.098 18262 9481 1 16 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.070 -0.120 18262 9482 1 16 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.565 0.247 18262 9483 1 16 . 1 1 32 32 GLY N N 32 106.245 106.245 108.290 -2.045 18262 9484 1 16 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.648 1.143 18262 9485 1 16 . 1 1 32 32 GLY H H 32 8.407 8.407 8.728 -0.321 18262 9486 1 16 . 1 1 33 33 PHE N N 33 116.330 116.330 123.010 -6.680 18262 9487 1 16 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.819 0.338 18262 9488 1 16 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.888 -0.955 18262 9489 1 16 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.802 1.310 18262 9490 1 16 . 1 1 33 33 PHE H H 33 7.865 7.865 7.624 0.241 18262 9491 1 16 . 1 1 34 34 THR N N 34 113.680 113.680 111.758 1.922 18262 9492 1 16 . 1 1 34 34 THR HA H 34 4.544 4.544 4.616 -0.072 18262 9493 1 16 . 1 1 34 34 THR CA C 34 60.409 60.409 59.504 0.905 18262 9494 1 16 . 1 1 34 34 THR CB C 34 70.714 70.714 71.732 -1.018 18262 9495 1 16 . 1 1 34 34 THR H H 34 8.895 8.895 8.199 0.696 18262 9496 1 16 . 1 1 35 35 ALA N N 35 123.074 123.074 124.716 -1.642 18262 9497 1 16 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.038 0.047 18262 9498 1 16 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.476 0.421 18262 9499 1 16 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.187 -0.019 18262 9500 1 16 . 1 1 35 35 ALA H H 35 8.880 8.880 8.859 0.021 18262 9501 1 16 . 1 1 36 36 SER N N 36 112.915 112.915 112.552 0.363 18262 9502 1 16 . 1 1 36 36 SER HA H 36 4.273 4.273 4.184 0.089 18262 9503 1 16 . 1 1 36 36 SER CA C 36 61.473 61.473 61.050 0.423 18262 9504 1 16 . 1 1 36 36 SER CB C 36 62.441 62.441 62.891 -0.450 18262 9505 1 16 . 1 1 36 36 SER H H 36 8.413 8.413 8.677 -0.264 18262 9506 1 16 . 1 1 37 37 GLN N N 37 121.627 121.627 119.539 2.088 18262 9507 1 16 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.403 -0.127 18262 9508 1 16 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.007 0.701 18262 9509 1 16 . 1 1 37 37 GLN CB C 37 29.193 29.193 29.880 -0.687 18262 9510 1 16 . 1 1 37 37 GLN H H 37 7.639 7.639 7.714 -0.075 18262 9511 1 16 . 1 1 38 38 LEU N N 38 119.757 119.757 121.347 -1.590 18262 9512 1 16 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.950 -0.123 18262 9513 1 16 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.555 0.444 18262 9514 1 16 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.454 -0.428 18262 9515 1 16 . 1 1 38 38 LEU H H 38 8.351 8.351 8.809 -0.458 18262 9516 1 16 . 1 1 39 39 ASP N N 39 122.097 122.097 120.093 2.004 18262 9517 1 16 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.300 0.136 18262 9518 1 16 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.099 -0.319 18262 9519 1 16 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.813 -0.441 18262 9520 1 16 . 1 1 39 39 ASP H H 39 7.962 7.962 8.509 -0.547 18262 9521 1 16 . 1 1 40 40 ASP N N 40 122.033 122.033 119.118 2.915 18262 9522 1 16 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.581 -0.091 18262 9523 1 16 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.307 1.583 18262 9524 1 16 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.232 -0.972 18262 9525 1 16 . 1 1 40 40 ASP H H 40 8.052 8.052 7.610 0.442 18262 9526 1 16 . 1 1 41 41 MET N N 41 121.130 121.130 119.239 1.891 18262 9527 1 16 . 1 1 41 41 MET HA H 41 4.191 4.191 4.105 0.086 18262 9528 1 16 . 1 1 41 41 MET CA C 41 57.798 57.798 57.925 -0.127 18262 9529 1 16 . 1 1 41 41 MET CB C 41 31.529 31.529 31.397 0.132 18262 9530 1 16 . 1 1 41 41 MET H H 41 8.708 8.708 7.889 0.819 18262 9531 1 16 . 1 1 42 42 SER N N 42 116.303 116.303 114.275 2.028 18262 9532 1 16 . 1 1 42 42 SER HA H 42 4.301 4.301 4.281 0.020 18262 9533 1 16 . 1 1 42 42 SER CA C 42 62.145 62.145 61.752 0.393 18262 9534 1 16 . 1 1 42 42 SER CB C 42 62.835 62.835 62.613 0.222 18262 9535 1 16 . 1 1 42 42 SER H H 42 8.364 8.364 8.539 -0.175 18262 9536 1 16 . 1 1 43 43 THR N N 43 119.136 119.136 119.502 -0.366 18262 9537 1 16 . 1 1 43 43 THR HA H 43 4.051 4.051 4.052 -0.001 18262 9538 1 16 . 1 1 43 43 THR CA C 43 66.673 66.673 66.784 -0.111 18262 9539 1 16 . 1 1 43 43 THR CB C 43 68.635 68.635 68.787 -0.152 18262 9540 1 16 . 1 1 43 43 THR H H 43 7.944 7.944 7.347 0.597 18262 9541 1 16 . 1 1 44 44 ILE N N 44 122.789 122.789 122.045 0.744 18262 9542 1 16 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.643 0.305 18262 9543 1 16 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.485 -0.838 18262 9544 1 16 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.584 0.463 18262 9545 1 16 . 1 1 44 44 ILE H H 44 7.856 7.856 8.432 -0.576 18262 9546 1 16 . 1 1 45 45 ALA N N 45 124.903 124.903 121.178 3.725 18262 9547 1 16 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.127 0.007 18262 9548 1 16 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.976 1.103 18262 9549 1 16 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.494 0.484 18262 9550 1 16 . 1 1 45 45 ALA H H 45 8.868 8.868 8.428 0.440 18262 9551 1 16 . 1 1 46 46 GLN N N 46 116.435 116.435 116.453 -0.018 18262 9552 1 16 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.136 -0.072 18262 9553 1 16 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.198 0.775 18262 9554 1 16 . 1 1 46 46 GLN CB C 46 28.320 28.320 28.900 -0.580 18262 9555 1 16 . 1 1 46 46 GLN H H 46 8.253 8.253 7.825 0.428 18262 9556 1 16 . 1 1 47 47 SER N N 47 116.211 116.211 115.819 0.392 18262 9557 1 16 . 1 1 47 47 SER HA H 47 4.249 4.249 4.656 -0.407 18262 9558 1 16 . 1 1 47 47 SER CA C 47 61.766 61.766 59.944 1.822 18262 9559 1 16 . 1 1 47 47 SER CB C 47 62.874 62.874 63.950 -1.076 18262 9560 1 16 . 1 1 47 47 SER H H 47 8.242 8.242 8.313 -0.071 18262 9561 1 16 . 1 1 48 48 MET N N 48 122.179 122.179 121.414 0.765 18262 9562 1 16 . 1 1 48 48 MET HA H 48 4.109 4.109 4.120 -0.011 18262 9563 1 16 . 1 1 48 48 MET CA C 48 57.695 57.695 57.304 0.391 18262 9564 1 16 . 1 1 48 48 MET CB C 48 31.370 31.370 31.994 -0.623 18262 9565 1 16 . 1 1 48 48 MET H H 48 8.198 8.198 8.357 -0.159 18262 9566 1 16 . 1 1 49 49 VAL N N 49 118.918 118.918 117.555 1.363 18262 9567 1 16 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.616 -0.337 18262 9568 1 16 . 1 1 49 49 VAL CA C 49 67.937 67.937 67.002 0.935 18262 9569 1 16 . 1 1 49 49 VAL CB C 49 31.553 31.553 30.992 0.561 18262 9570 1 16 . 1 1 49 49 VAL H H 49 7.791 7.791 8.077 -0.286 18262 9571 1 16 . 1 1 50 50 GLN N N 50 118.407 118.407 118.082 0.325 18262 9572 1 16 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.900 0.192 18262 9573 1 16 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.235 -0.109 18262 9574 1 16 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.341 -0.138 18262 9575 1 16 . 1 1 50 50 GLN H H 50 8.206 8.206 7.691 0.515 18262 9576 1 16 . 1 1 51 51 SER N N 51 117.680 117.680 115.758 1.922 18262 9577 1 16 . 1 1 51 51 SER HA H 51 4.209 4.209 4.177 0.032 18262 9578 1 16 . 1 1 51 51 SER CA C 51 62.766 62.766 61.815 0.951 18262 9579 1 16 . 1 1 51 51 SER CB C 51 63.014 63.014 62.651 0.363 18262 9580 1 16 . 1 1 51 51 SER H H 51 8.394 8.394 7.979 0.415 18262 9581 1 16 . 1 1 52 52 ILE N N 52 123.233 123.233 122.867 0.366 18262 9582 1 16 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.797 -0.234 18262 9583 1 16 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.285 0.596 18262 9584 1 16 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.448 0.423 18262 9585 1 16 . 1 1 52 52 ILE H H 52 8.135 8.135 7.167 0.968 18262 9586 1 16 . 1 1 53 53 GLN N N 53 119.911 119.911 119.930 -0.019 18262 9587 1 16 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.038 -0.113 18262 9588 1 16 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.741 0.830 18262 9589 1 16 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.203 -0.270 18262 9590 1 16 . 1 1 53 53 GLN H H 53 8.600 8.600 8.172 0.428 18262 9591 1 16 . 1 1 54 54 SER N N 54 115.414 115.414 114.750 0.664 18262 9592 1 16 . 1 1 54 54 SER HA H 54 4.308 4.308 4.332 -0.024 18262 9593 1 16 . 1 1 54 54 SER CA C 54 61.468 61.468 61.016 0.452 18262 9594 1 16 . 1 1 54 54 SER CB C 54 62.950 62.950 63.371 -0.421 18262 9595 1 16 . 1 1 54 54 SER H H 54 8.304 8.304 7.882 0.422 18262 9596 1 16 . 1 1 55 55 LEU N N 55 121.576 121.576 123.991 -2.415 18262 9597 1 16 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.049 0.016 18262 9598 1 16 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.685 0.028 18262 9599 1 16 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.686 0.667 18262 9600 1 16 . 1 1 55 55 LEU H H 55 7.881 7.881 7.771 0.110 18262 9601 1 16 . 1 1 56 56 ALA N N 56 121.244 121.244 118.507 2.737 18262 9602 1 16 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.197 0.035 18262 9603 1 16 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.844 0.557 18262 9604 1 16 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.498 -0.236 18262 9605 1 16 . 1 1 56 56 ALA H H 56 8.007 8.007 8.088 -0.081 18262 9606 1 16 . 1 1 57 57 ALA N N 57 121.370 121.370 121.159 0.211 18262 9607 1 16 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.150 0.063 18262 9608 1 16 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.640 0.876 18262 9609 1 16 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.897 -1.357 18262 9610 1 16 . 1 1 57 57 ALA H H 57 8.026 8.026 7.523 0.503 18262 9611 1 16 . 1 1 58 58 GLN N N 58 114.464 114.464 117.986 -3.522 18262 9612 1 16 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.376 -0.032 18262 9613 1 16 . 1 1 58 58 GLN CA C 58 56.027 56.027 56.882 -0.855 18262 9614 1 16 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.749 -0.062 18262 9615 1 16 . 1 1 58 58 GLN H H 58 7.759 7.759 8.617 -0.858 18262 9616 1 16 . 1 1 59 59 GLY N N 59 108.318 108.318 107.875 0.443 18262 9617 1 16 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.967 1.169 18262 9618 1 16 . 1 1 59 59 GLY H H 59 7.905 7.905 7.887 0.018 18262 9619 1 16 . 1 1 60 60 ARG N N 60 118.325 118.325 119.768 -1.443 18262 9620 1 16 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.468 0.058 18262 9621 1 16 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.672 0.056 18262 9622 1 16 . 1 1 60 60 ARG CB C 60 31.690 31.690 32.920 -1.230 18262 9623 1 16 . 1 1 60 60 ARG H H 60 8.097 8.097 8.229 -0.132 18262 9624 1 16 . 1 1 61 61 THR N N 61 116.640 116.640 121.740 -5.100 18262 9625 1 16 . 1 1 61 61 THR HA H 61 4.782 4.782 4.470 0.312 18262 9626 1 16 . 1 1 61 61 THR CA C 61 63.339 63.339 62.295 1.044 18262 9627 1 16 . 1 1 61 61 THR CB C 61 68.819 68.819 68.688 0.131 18262 9628 1 16 . 1 1 61 61 THR H H 61 8.038 8.038 8.475 -0.437 18262 9629 1 16 . 1 1 62 62 SER N N 62 119.882 119.882 122.766 -2.884 18262 9630 1 16 . 1 1 62 62 SER HA H 62 4.899 4.899 4.717 0.182 18262 9631 1 16 . 1 1 62 62 SER CA C 62 56.263 56.263 56.681 -0.418 18262 9632 1 16 . 1 1 62 62 SER CB C 62 63.827 63.827 63.629 0.198 18262 9633 1 16 . 1 1 62 62 SER H H 62 7.792 7.792 8.011 -0.219 18262 9634 1 16 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.268 0.031 18262 9635 1 16 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.417 0.399 18262 9636 1 16 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.857 0.360 18262 9637 1 16 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.573 -0.026 18262 9638 1 16 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.757 0.438 18262 9639 1 16 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.859 0.210 18262 9640 1 16 . 1 1 65 65 LYS N N 65 121.063 121.063 119.757 1.306 18262 9641 1 16 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.101 0.081 18262 9642 1 16 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.473 0.079 18262 9643 1 16 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.083 0.624 18262 9644 1 16 . 1 1 65 65 LYS H H 65 7.762 7.762 7.930 -0.168 18262 9645 1 16 . 1 1 66 66 LEU N N 66 119.082 119.082 117.386 1.696 18262 9646 1 16 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.258 -0.195 18262 9647 1 16 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.755 0.243 18262 9648 1 16 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.995 0.466 18262 9649 1 16 . 1 1 66 66 LEU H H 66 7.934 7.934 7.782 0.152 18262 9650 1 16 . 1 1 67 67 GLN N N 67 119.220 119.220 114.953 4.267 18262 9651 1 16 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.580 -0.373 18262 9652 1 16 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.886 2.201 18262 9653 1 16 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.951 -0.736 18262 9654 1 16 . 1 1 67 67 GLN H H 67 8.201 8.201 7.636 0.565 18262 9655 1 16 . 1 1 68 68 ALA N N 68 121.749 121.749 122.054 -0.305 18262 9656 1 16 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.373 -0.194 18262 9657 1 16 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.291 0.984 18262 9658 1 16 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.427 -2.322 18262 9659 1 16 . 1 1 68 68 ALA H H 68 7.739 7.739 7.781 -0.042 18262 9660 1 16 . 1 1 69 69 LEU N N 69 120.591 120.591 118.966 1.625 18262 9661 1 16 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.894 0.101 18262 9662 1 16 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.473 0.501 18262 9663 1 16 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.155 0.183 18262 9664 1 16 . 1 1 69 69 LEU H H 69 7.888 7.888 8.709 -0.821 18262 9665 1 16 . 1 1 70 70 ASN N N 70 119.586 119.586 118.121 1.465 18262 9666 1 16 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.349 -0.818 18262 9667 1 16 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.332 0.688 18262 9668 1 16 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.325 0.523 18262 9669 1 16 . 1 1 70 70 ASN H H 70 8.356 8.356 8.155 0.201 18262 9670 1 16 . 1 1 71 71 MET N N 71 117.354 117.354 118.738 -1.384 18262 9671 1 16 . 1 1 71 71 MET HA H 71 4.271 4.271 4.601 -0.330 18262 9672 1 16 . 1 1 71 71 MET CA C 71 59.088 59.088 58.120 0.968 18262 9673 1 16 . 1 1 71 71 MET CB C 71 32.746 32.746 32.677 0.069 18262 9674 1 16 . 1 1 71 71 MET H H 71 8.207 8.207 7.589 0.618 18262 9675 1 16 . 1 1 72 72 ALA N N 72 123.354 123.354 123.934 -0.580 18262 9676 1 16 . 1 1 72 72 ALA HA H 72 4.074 4.074 4.013 0.061 18262 9677 1 16 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.267 -0.140 18262 9678 1 16 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.086 0.071 18262 9679 1 16 . 1 1 72 72 ALA H H 72 8.075 8.075 7.661 0.414 18262 9680 1 16 . 1 1 73 73 PHE N N 73 120.968 120.968 116.610 4.358 18262 9681 1 16 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.257 0.261 18262 9682 1 16 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.196 0.236 18262 9683 1 16 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.928 1.669 18262 9684 1 16 . 1 1 73 73 PHE H H 73 8.546 8.546 8.063 0.483 18262 9685 1 16 . 1 1 74 74 ALA N N 74 119.865 119.865 122.822 -2.957 18262 9686 1 16 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.525 0.216 18262 9687 1 16 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.550 0.844 18262 9688 1 16 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.915 2.494 18262 9689 1 16 . 1 1 74 74 ALA H H 74 8.593 8.593 7.436 1.157 18262 9690 1 16 . 1 1 75 75 SER N N 75 112.870 112.870 114.114 -1.244 18262 9691 1 16 . 1 1 75 75 SER HA H 75 3.581 3.581 4.061 -0.480 18262 9692 1 16 . 1 1 75 75 SER CA C 75 61.879 61.879 60.957 0.922 18262 9693 1 16 . 1 1 75 75 SER CB C 75 62.010 62.010 62.042 -0.032 18262 9694 1 16 . 1 1 75 75 SER H H 75 8.501 8.501 8.281 0.220 18262 9695 1 16 . 1 1 76 76 SER N N 76 118.492 118.492 118.037 0.455 18262 9696 1 16 . 1 1 76 76 SER HA H 76 4.301 4.301 4.347 -0.046 18262 9697 1 16 . 1 1 76 76 SER CA C 76 62.748 62.748 61.309 1.439 18262 9698 1 16 . 1 1 76 76 SER CB C 76 63.013 63.013 62.987 0.026 18262 9699 1 16 . 1 1 76 76 SER H H 76 8.152 8.152 7.412 0.740 18262 9700 1 16 . 1 1 77 77 MET N N 77 120.358 120.358 121.284 -0.926 18262 9701 1 16 . 1 1 77 77 MET HA H 77 3.999 3.999 4.313 -0.314 18262 9702 1 16 . 1 1 77 77 MET CA C 77 60.024 60.024 58.861 1.163 18262 9703 1 16 . 1 1 77 77 MET CB C 77 34.657 34.657 32.546 2.111 18262 9704 1 16 . 1 1 77 77 MET H H 77 8.130 8.130 8.242 -0.112 18262 9705 1 16 . 1 1 78 78 ALA N N 78 121.547 121.547 122.476 -0.929 18262 9706 1 16 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.015 -0.089 18262 9707 1 16 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.796 -0.200 18262 9708 1 16 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.916 2.483 18262 9709 1 16 . 1 1 78 78 ALA H H 78 8.534 8.534 8.533 0.001 18262 9710 1 16 . 1 1 79 79 GLU N N 79 116.654 116.654 117.254 -0.600 18262 9711 1 16 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.132 -0.152 18262 9712 1 16 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.726 0.676 18262 9713 1 16 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.790 0.033 18262 9714 1 16 . 1 1 79 79 GLU H H 79 7.557 7.557 7.692 -0.135 18262 9715 1 16 . 1 1 80 80 ILE N N 80 118.293 118.293 118.199 0.094 18262 9716 1 16 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.918 0.040 18262 9717 1 16 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.211 -0.426 18262 9718 1 16 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.321 -0.014 18262 9719 1 16 . 1 1 80 80 ILE H H 80 7.239 7.239 7.248 -0.009 18262 9720 1 16 . 1 1 81 81 ALA N N 81 121.511 121.511 122.603 -1.092 18262 9721 1 16 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.036 -0.076 18262 9722 1 16 . 1 1 81 81 ALA CA C 81 54.738 54.738 55.025 -0.287 18262 9723 1 16 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.453 -0.496 18262 9724 1 16 . 1 1 81 81 ALA H H 81 8.595 8.595 8.777 -0.182 18262 9725 1 16 . 1 1 82 82 ALA N N 82 116.183 116.183 118.453 -2.270 18262 9726 1 16 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.359 -0.071 18262 9727 1 16 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.770 0.831 18262 9728 1 16 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.538 0.856 18262 9729 1 16 . 1 1 82 82 ALA H H 82 8.001 8.001 8.121 -0.120 18262 9730 1 16 . 1 1 83 83 SER N N 83 113.212 113.212 115.340 -2.128 18262 9731 1 16 . 1 1 83 83 SER HA H 83 4.319 4.319 4.353 -0.034 18262 9732 1 16 . 1 1 83 83 SER CA C 83 59.243 59.243 57.368 1.875 18262 9733 1 16 . 1 1 83 83 SER CB C 83 63.971 63.971 63.533 0.438 18262 9734 1 16 . 1 1 83 83 SER H H 83 7.391 7.391 7.438 -0.047 18262 9735 1 16 . 1 1 84 84 GLU N N 84 123.385 123.385 126.498 -3.113 18262 9736 1 16 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.323 0.108 18262 9737 1 16 . 1 1 84 84 GLU CA C 84 56.656 56.656 55.890 0.766 18262 9738 1 16 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.887 0.689 18262 9739 1 16 . 1 1 84 84 GLU H H 84 8.421 8.421 8.337 0.084 18262 9740 1 16 . 1 1 85 85 GLU N N 85 121.674 121.674 125.538 -3.864 18262 9741 1 16 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.589 -0.315 18262 9742 1 16 . 1 1 85 85 GLU CA C 85 57.127 57.127 54.288 2.839 18262 9743 1 16 . 1 1 85 85 GLU CB C 85 30.191 30.191 33.409 -3.218 18262 9744 1 16 . 1 1 85 85 GLU H H 85 8.407 8.407 7.925 0.482 18262 9745 1 16 . 1 1 86 86 GLY N N 86 110.617 110.617 108.386 2.231 18262 9746 1 16 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.826 -0.102 18262 9747 1 16 . 1 1 86 86 GLY H H 86 8.564 8.564 8.790 -0.226 18262 9748 1 16 . 1 1 87 87 GLY N N 87 108.562 108.562 109.023 -0.461 18262 9749 1 16 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.226 0.240 18262 9750 1 16 . 1 1 87 87 GLY H H 87 8.257 8.257 8.123 0.134 18262 9751 1 16 . 1 1 88 88 GLY N N 88 107.890 107.890 108.221 -0.331 18262 9752 1 16 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.694 0.190 18262 9753 1 16 . 1 1 88 88 GLY H H 88 8.100 8.100 7.493 0.607 18262 9754 1 16 . 1 1 89 89 SER N N 89 115.889 115.889 114.956 0.933 18262 9755 1 16 . 1 1 89 89 SER HA H 89 4.594 4.594 4.582 0.012 18262 9756 1 16 . 1 1 89 89 SER CA C 89 57.382 57.382 56.744 0.638 18262 9757 1 16 . 1 1 89 89 SER CB C 89 65.271 65.271 65.309 -0.038 18262 9758 1 16 . 1 1 89 89 SER H H 89 8.474 8.474 8.403 0.071 18262 9759 1 16 . 1 1 90 90 LEU N N 90 124.688 124.688 122.856 1.832 18262 9760 1 16 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.221 -0.097 18262 9761 1 16 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.852 1.708 18262 9762 1 16 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.784 -0.366 18262 9763 1 16 . 1 1 90 90 LEU H H 90 8.867 8.867 8.570 0.297 18262 9764 1 16 . 1 1 91 91 SER N N 91 114.045 114.045 114.334 -0.289 18262 9765 1 16 . 1 1 91 91 SER CA C 91 61.331 61.331 61.689 -0.358 18262 9766 1 16 . 1 1 91 91 SER CB C 91 62.080 62.080 62.924 -0.844 18262 9767 1 16 . 1 1 91 91 SER H H 91 8.501 8.501 8.102 0.399 18262 9768 1 16 . 1 1 92 92 THR N N 92 121.036 121.036 117.278 3.758 18262 9769 1 16 . 1 1 92 92 THR HA H 92 4.006 4.006 4.146 -0.140 18262 9770 1 16 . 1 1 92 92 THR CA C 92 66.537 66.537 65.756 0.781 18262 9771 1 16 . 1 1 92 92 THR CB C 92 68.326 68.326 68.552 -0.226 18262 9772 1 16 . 1 1 92 92 THR H H 92 7.818 7.818 7.571 0.247 18262 9773 1 16 . 1 1 93 93 LYS N N 93 120.426 120.426 121.567 -1.141 18262 9774 1 16 . 1 1 93 93 LYS HA H 93 3.789 3.789 4.055 -0.266 18262 9775 1 16 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.052 2.062 18262 9776 1 16 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.741 1.728 18262 9777 1 16 . 1 1 93 93 LYS H H 93 8.146 8.146 7.285 0.861 18262 9778 1 16 . 1 1 94 94 THR N N 94 111.775 111.775 112.250 -0.475 18262 9779 1 16 . 1 1 94 94 THR HA H 94 3.933 3.933 4.128 -0.195 18262 9780 1 16 . 1 1 94 94 THR CA C 94 67.228 67.228 65.997 1.231 18262 9781 1 16 . 1 1 94 94 THR CB C 94 68.083 68.083 68.362 -0.279 18262 9782 1 16 . 1 1 94 94 THR H H 94 8.881 8.881 8.077 0.804 18262 9783 1 16 . 1 1 95 95 SER N N 95 119.066 119.066 119.008 0.058 18262 9784 1 16 . 1 1 95 95 SER HA H 95 4.397 4.397 4.120 0.277 18262 9785 1 16 . 1 1 95 95 SER CA C 95 62.060 62.060 62.466 -0.406 18262 9786 1 16 . 1 1 95 95 SER CB C 95 62.693 62.693 63.086 -0.393 18262 9787 1 16 . 1 1 95 95 SER H H 95 8.134 8.134 7.710 0.424 18262 9788 1 16 . 1 1 96 96 SER N N 96 121.588 121.588 118.195 3.393 18262 9789 1 16 . 1 1 96 96 SER HA H 96 4.462 4.462 4.321 0.141 18262 9790 1 16 . 1 1 96 96 SER CA C 96 62.623 62.623 61.452 1.171 18262 9791 1 16 . 1 1 96 96 SER CB C 96 62.866 62.866 62.856 0.010 18262 9792 1 16 . 1 1 96 96 SER H H 96 8.642 8.642 8.393 0.249 18262 9793 1 16 . 1 1 97 97 ILE N N 97 122.467 122.467 123.661 -1.194 18262 9794 1 16 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.786 0.011 18262 9795 1 16 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.707 1.127 18262 9796 1 16 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.681 1.034 18262 9797 1 16 . 1 1 97 97 ILE H H 97 8.482 8.482 7.921 0.561 18262 9798 1 16 . 1 1 98 98 ALA N N 98 122.100 122.100 122.603 -0.503 18262 9799 1 16 . 1 1 98 98 ALA HA H 98 4.054 4.054 3.998 0.056 18262 9800 1 16 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.506 0.722 18262 9801 1 16 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.165 0.252 18262 9802 1 16 . 1 1 98 98 ALA H H 98 8.437 8.437 8.408 0.029 18262 9803 1 16 . 1 1 99 99 SER N N 99 115.737 115.737 114.988 0.749 18262 9804 1 16 . 1 1 99 99 SER HA H 99 4.366 4.366 4.178 0.188 18262 9805 1 16 . 1 1 99 99 SER CA C 99 62.029 62.029 61.419 0.610 18262 9806 1 16 . 1 1 99 99 SER CB C 99 63.230 63.230 63.223 0.007 18262 9807 1 16 . 1 1 99 99 SER H H 99 8.658 8.658 7.947 0.711 18262 9808 1 16 . 1 1 100 100 ALA N N 100 124.292 124.292 125.366 -1.074 18262 9809 1 16 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.939 0.306 18262 9810 1 16 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.277 0.114 18262 9811 1 16 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.134 0.358 18262 9812 1 16 . 1 1 100 100 ALA H H 100 8.976 8.976 8.453 0.523 18262 9813 1 16 . 1 1 101 101 MET N N 101 119.143 119.143 117.646 1.497 18262 9814 1 16 . 1 1 101 101 MET HA H 101 4.054 4.054 4.194 -0.140 18262 9815 1 16 . 1 1 101 101 MET CA C 101 61.026 61.026 59.876 1.150 18262 9816 1 16 . 1 1 101 101 MET CB C 101 34.483 34.483 32.840 1.643 18262 9817 1 16 . 1 1 101 101 MET H H 101 9.063 9.063 8.352 0.711 18262 9818 1 16 . 1 1 102 102 SER N N 102 116.778 116.778 115.553 1.225 18262 9819 1 16 . 1 1 102 102 SER HA H 102 4.363 4.363 4.198 0.165 18262 9820 1 16 . 1 1 102 102 SER CA C 102 63.348 63.348 62.471 0.877 18262 9821 1 16 . 1 1 102 102 SER CB C 102 62.593 62.593 63.265 -0.672 18262 9822 1 16 . 1 1 102 102 SER H H 102 8.693 8.693 8.353 0.340 18262 9823 1 16 . 1 1 103 103 ASN N N 103 117.982 117.982 119.576 -1.594 18262 9824 1 16 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.485 -0.021 18262 9825 1 16 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.052 0.610 18262 9826 1 16 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.632 -0.115 18262 9827 1 16 . 1 1 103 103 ASN H H 103 8.108 8.108 8.502 -0.394 18262 9828 1 16 . 1 1 104 104 ALA N N 104 122.272 122.272 122.697 -0.425 18262 9829 1 16 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.060 0.180 18262 9830 1 16 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.215 -0.372 18262 9831 1 16 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.571 -0.338 18262 9832 1 16 . 1 1 104 104 ALA H H 104 7.892 7.892 8.030 -0.138 18262 9833 1 16 . 1 1 105 105 PHE N N 105 119.096 119.096 118.754 0.342 18262 9834 1 16 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.671 -0.271 18262 9835 1 16 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.728 4.115 18262 9836 1 16 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.764 -0.277 18262 9837 1 16 . 1 1 105 105 PHE H H 105 8.580 8.580 8.237 0.343 18262 9838 1 16 . 1 1 106 106 LEU N N 106 121.540 121.540 118.614 2.926 18262 9839 1 16 . 1 1 106 106 LEU HA H 106 3.736 3.736 3.943 -0.207 18262 9840 1 16 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.951 1.205 18262 9841 1 16 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.553 -0.218 18262 9842 1 16 . 1 1 106 106 LEU H H 106 8.226 8.226 8.135 0.091 18262 9843 1 16 . 1 1 107 107 GLN N N 107 114.603 114.603 117.393 -2.790 18262 9844 1 16 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.256 -0.066 18262 9845 1 16 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.763 -0.345 18262 9846 1 16 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.751 0.740 18262 9847 1 16 . 1 1 107 107 GLN H H 107 8.132 8.132 7.734 0.398 18262 9848 1 16 . 1 1 108 108 THR N N 108 108.290 108.290 111.885 -3.595 18262 9849 1 16 . 1 1 108 108 THR HA H 108 4.518 4.518 4.264 0.254 18262 9850 1 16 . 1 1 108 108 THR CA C 108 62.483 62.483 64.520 -2.038 18262 9851 1 16 . 1 1 108 108 THR CB C 108 70.390 70.390 68.958 1.432 18262 9852 1 16 . 1 1 108 108 THR H H 108 7.726 7.726 7.495 0.231 18262 9853 1 16 . 1 1 109 109 THR N N 109 113.407 113.407 112.834 0.573 18262 9854 1 16 . 1 1 109 109 THR HA H 109 4.586 4.586 4.340 0.246 18262 9855 1 16 . 1 1 109 109 THR CA C 109 62.325 62.325 61.809 0.517 18262 9856 1 16 . 1 1 109 109 THR CB C 109 70.696 70.696 70.230 0.466 18262 9857 1 16 . 1 1 109 109 THR H H 109 8.907 8.907 7.634 1.273 18262 9858 1 16 . 1 1 110 110 GLY N N 110 109.267 109.267 110.664 -1.397 18262 9859 1 16 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.303 0.265 18262 9860 1 16 . 1 1 110 110 GLY H H 110 8.361 8.361 8.306 0.055 18262 9861 1 16 . 1 1 111 111 VAL N N 111 119.375 119.375 122.249 -2.874 18262 9862 1 16 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.372 -0.117 18262 9863 1 16 . 1 1 111 111 VAL CA C 111 60.882 60.882 61.053 -0.171 18262 9864 1 16 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.458 0.978 18262 9865 1 16 . 1 1 111 111 VAL H H 111 7.784 7.784 7.752 0.032 18262 9866 1 16 . 1 1 112 112 VAL N N 112 125.327 125.327 124.754 0.573 18262 9867 1 16 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.523 -1.311 18262 9868 1 16 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.633 3.846 18262 9869 1 16 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.121 -0.425 18262 9870 1 16 . 1 1 112 112 VAL H H 112 8.747 8.747 8.198 0.549 18262 9871 1 16 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.875 -0.373 18262 9872 1 16 . 1 1 113 113 ASN CA C 113 50.193 50.193 52.682 -2.489 18262 9873 1 16 . 1 1 113 113 ASN CB C 113 37.122 37.122 39.580 -2.458 18262 9874 1 16 . 1 1 114 114 GLN N N 114 124.067 124.067 125.616 -1.549 18262 9875 1 16 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.387 -0.450 18262 9876 1 16 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.529 -1.111 18262 9877 1 16 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.512 -0.966 18262 9878 1 16 . 1 1 114 114 GLN H H 114 8.394 8.394 8.968 -0.574 18262 9879 1 16 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.260 -0.010 18262 9880 1 16 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.431 1.241 18262 9881 1 16 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.199 0.100 18262 9882 1 16 . 1 1 116 116 PHE N N 116 117.820 117.820 117.922 -0.102 18262 9883 1 16 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.337 -0.135 18262 9884 1 16 . 1 1 116 116 PHE CA C 116 61.331 61.331 60.526 0.805 18262 9885 1 16 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.438 0.081 18262 9886 1 16 . 1 1 116 116 PHE H H 116 7.268 7.268 7.324 -0.056 18262 9887 1 16 . 1 1 117 117 ILE N N 117 119.434 119.434 120.399 -0.965 18262 9888 1 16 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.274 0.260 18262 9889 1 16 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.260 0.487 18262 9890 1 16 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.578 0.617 18262 9891 1 16 . 1 1 117 117 ILE H H 117 7.641 7.641 8.020 -0.379 18262 9892 1 16 . 1 1 118 118 ASN N N 118 119.834 119.834 116.913 2.921 18262 9893 1 16 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.569 -0.256 18262 9894 1 16 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.279 0.423 18262 9895 1 16 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.184 -0.664 18262 9896 1 16 . 1 1 118 118 ASN H H 118 8.985 8.985 8.551 0.434 18262 9897 1 16 . 1 1 119 119 GLU N N 119 121.164 121.164 121.147 0.017 18262 9898 1 16 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.128 -0.105 18262 9899 1 16 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.093 0.544 18262 9900 1 16 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.742 -0.027 18262 9901 1 16 . 1 1 119 119 GLU H H 119 8.090 8.090 7.277 0.813 18262 9902 1 16 . 1 1 120 120 ILE N N 120 117.906 117.906 119.366 -1.460 18262 9903 1 16 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.709 0.045 18262 9904 1 16 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.773 -0.805 18262 9905 1 16 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.789 -0.975 18262 9906 1 16 . 1 1 120 120 ILE H H 120 8.025 8.025 8.292 -0.267 18262 9907 1 16 . 1 1 121 121 THR N N 121 112.720 112.720 113.792 -1.072 18262 9908 1 16 . 1 1 121 121 THR HA H 121 3.767 3.767 3.910 -0.143 18262 9909 1 16 . 1 1 121 121 THR CA C 121 67.203 67.203 66.754 0.449 18262 9910 1 16 . 1 1 121 121 THR CB C 121 68.380 68.380 67.931 0.449 18262 9911 1 16 . 1 1 121 121 THR H H 121 8.665 8.665 8.083 0.582 18262 9912 1 16 . 1 1 122 122 GLN N N 122 123.165 123.165 121.078 2.087 18262 9913 1 16 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.025 0.063 18262 9914 1 16 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.693 0.569 18262 9915 1 16 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.490 -0.329 18262 9916 1 16 . 1 1 122 122 GLN H H 122 8.128 8.128 7.479 0.649 18262 9917 1 16 . 1 1 123 123 LEU N N 123 120.702 120.702 120.761 -0.059 18262 9918 1 16 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.440 0.483 18262 9919 1 16 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.982 0.136 18262 9920 1 16 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.482 1.508 18262 9921 1 16 . 1 1 123 123 LEU H H 123 8.173 8.173 7.957 0.216 18262 9922 1 16 . 1 1 124 124 VAL N N 124 118.840 118.840 119.434 -0.594 18262 9923 1 16 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.643 -0.028 18262 9924 1 16 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.673 0.651 18262 9925 1 16 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.593 -0.040 18262 9926 1 16 . 1 1 124 124 VAL H H 124 8.742 8.742 8.641 0.101 18262 9927 1 16 . 1 1 125 125 SER N N 125 112.613 112.613 114.613 -2.000 18262 9928 1 16 . 1 1 125 125 SER HA H 125 4.050 4.050 4.130 -0.080 18262 9929 1 16 . 1 1 125 125 SER CA C 125 62.568 62.568 61.851 0.717 18262 9930 1 16 . 1 1 125 125 SER CB C 125 62.960 62.960 62.935 0.025 18262 9931 1 16 . 1 1 125 125 SER H H 125 7.883 7.883 7.759 0.124 18262 9932 1 16 . 1 1 126 126 MET N N 126 120.939 120.939 122.061 -1.122 18262 9933 1 16 . 1 1 126 126 MET HA H 126 4.052 4.052 4.092 -0.040 18262 9934 1 16 . 1 1 126 126 MET CA C 126 59.009 59.009 58.697 0.312 18262 9935 1 16 . 1 1 126 126 MET CB C 126 32.780 32.780 32.406 0.374 18262 9936 1 16 . 1 1 126 126 MET H H 126 8.091 8.091 7.995 0.096 18262 9937 1 16 . 1 1 127 127 PHE N N 127 118.732 118.732 118.051 0.681 18262 9938 1 16 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.151 0.314 18262 9939 1 16 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.863 -0.267 18262 9940 1 16 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.937 0.974 18262 9941 1 16 . 1 1 127 127 PHE H H 127 8.755 8.755 8.143 0.612 18262 9942 1 16 . 1 1 128 128 ALA N N 128 121.647 121.647 119.600 2.047 18262 9943 1 16 . 1 1 128 128 ALA HA H 128 4.217 4.217 3.996 0.221 18262 9944 1 16 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.645 -0.141 18262 9945 1 16 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.739 0.817 18262 9946 1 16 . 1 1 128 128 ALA H H 128 8.638 8.638 7.840 0.798 18262 9947 1 16 . 1 1 129 129 GLN N N 129 115.892 115.892 118.630 -2.738 18262 9948 1 16 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.196 0.027 18262 9949 1 16 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.794 -0.554 18262 9950 1 16 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.149 0.228 18262 9951 1 16 . 1 1 129 129 GLN H H 129 7.789 7.789 7.828 -0.039 18262 9952 1 16 . 1 1 130 130 ALA N N 130 122.349 122.349 120.685 1.664 18262 9953 1 16 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.560 -0.289 18262 9954 1 16 . 1 1 130 130 ALA CA C 130 53.907 53.907 50.830 3.078 18262 9955 1 16 . 1 1 130 130 ALA CB C 130 18.985 18.985 18.932 0.053 18262 9956 1 16 . 1 1 130 130 ALA H H 130 7.791 7.791 8.073 -0.282 18262 9957 1 16 . 1 1 131 131 GLY N N 131 106.497 106.497 108.826 -2.329 18262 9958 1 16 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.477 0.295 18262 9959 1 16 . 1 1 131 131 GLY H H 131 8.157 8.157 7.867 0.290 18262 9960 1 16 . 1 1 132 132 MET N N 132 119.229 119.229 116.329 2.900 18262 9961 1 16 . 1 1 132 132 MET HA H 132 4.473 4.473 4.611 -0.138 18262 9962 1 16 . 1 1 132 132 MET CA C 132 55.973 55.973 55.686 0.287 18262 9963 1 16 . 1 1 132 132 MET CB C 132 33.129 33.129 34.461 -1.331 18262 9964 1 16 . 1 1 132 132 MET H H 132 7.929 7.929 8.120 -0.191 18262 9965 1 16 . 1 1 133 133 ASN N N 133 118.982 118.982 118.631 0.351 18262 9966 1 16 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.836 -0.095 18262 9967 1 16 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.464 -0.096 18262 9968 1 16 . 1 1 133 133 ASN CB C 133 39.349 39.349 41.481 -2.132 18262 9969 1 16 . 1 1 133 133 ASN H H 133 8.334 8.334 7.747 0.587 18262 9970 1 16 . 1 1 134 134 ASP N N 134 120.983 120.983 124.474 -3.491 18262 9971 1 16 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.758 -0.115 18262 9972 1 16 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.441 0.066 18262 9973 1 16 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.128 1.155 18262 9974 1 16 . 1 1 134 134 ASP H H 134 8.282 8.282 8.660 -0.378 18262 9975 1 16 . 1 1 135 135 VAL N N 135 119.922 119.922 123.710 -3.788 18262 9976 1 16 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.025 0.172 18262 9977 1 16 . 1 1 135 135 VAL CA C 135 62.327 62.327 62.462 -0.135 18262 9978 1 16 . 1 1 135 135 VAL CB C 135 32.714 32.714 31.287 1.427 18262 9979 1 16 . 1 1 135 135 VAL H H 135 8.080 8.080 7.893 0.187 18262 9980 1 16 . 1 1 136 136 SER N N 136 119.994 119.994 120.724 -0.730 18262 9981 1 16 . 1 1 136 136 SER HA H 136 4.459 4.459 4.203 0.256 18262 9982 1 16 . 1 1 136 136 SER CA C 136 58.412 58.412 59.243 -0.831 18262 9983 1 16 . 1 1 136 136 SER CB C 136 64.068 64.068 61.756 2.312 18262 9984 1 16 . 1 1 136 136 SER H H 136 8.397 8.397 8.752 -0.355 18262 9985 1 17 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.763 0.507 18262 9986 1 17 . 1 1 4 4 ASN N N 4 124.122 124.122 117.077 7.045 18262 9987 1 17 . 1 1 4 4 ASN CA C 4 54.827 54.827 52.713 2.114 18262 9988 1 17 . 1 1 4 4 ASN H H 4 7.979 7.979 8.713 -0.734 18262 9989 1 17 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.537 0.155 18262 9990 1 17 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.259 0.809 18262 9991 1 17 . 1 1 6 6 HIS CB C 6 31.102 31.102 29.935 1.167 18262 9992 1 17 . 1 1 7 7 THR N N 7 115.462 115.462 120.829 -5.367 18262 9993 1 17 . 1 1 7 7 THR HA H 7 4.312 4.312 4.194 0.118 18262 9994 1 17 . 1 1 7 7 THR CA C 7 62.316 62.316 62.542 -0.226 18262 9995 1 17 . 1 1 7 7 THR CB C 7 69.849 69.849 69.275 0.575 18262 9996 1 17 . 1 1 7 7 THR H H 7 8.132 8.132 8.071 0.061 18262 9997 1 17 . 1 1 8 8 THR N N 8 115.752 115.752 116.985 -1.233 18262 9998 1 17 . 1 1 8 8 THR HA H 8 4.164 4.164 4.330 -0.166 18262 9999 1 17 . 1 1 8 8 THR CA C 8 58.419 58.419 58.014 0.404 18262 10000 1 17 . 1 1 8 8 THR CB C 8 69.385 69.385 69.182 0.203 18262 10001 1 17 . 1 1 8 8 THR H H 8 7.981 7.981 7.867 0.114 18262 10002 1 17 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.836 0.116 18262 10003 1 17 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.804 -0.769 18262 10004 1 17 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.246 0.413 18262 10005 1 17 . 1 1 10 10 TRP N N 10 111.703 111.703 114.412 -2.709 18262 10006 1 17 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.622 0.274 18262 10007 1 17 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.020 -1.551 18262 10008 1 17 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.658 2.588 18262 10009 1 17 . 1 1 10 10 TRP H H 10 6.710 6.710 7.145 -0.435 18262 10010 1 17 . 1 1 11 11 THR N N 11 106.459 106.459 114.286 -7.827 18262 10011 1 17 . 1 1 11 11 THR HA H 11 3.893 3.893 4.197 -0.304 18262 10012 1 17 . 1 1 11 11 THR CA C 11 64.050 64.050 64.112 -0.062 18262 10013 1 17 . 1 1 11 11 THR CB C 11 69.312 69.312 69.107 0.205 18262 10014 1 17 . 1 1 11 11 THR H H 11 7.197 7.197 7.574 -0.377 18262 10015 1 17 . 1 1 12 12 ASN N N 12 116.465 116.465 117.457 -0.992 18262 10016 1 17 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.010 0.098 18262 10017 1 17 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.904 0.421 18262 10018 1 17 . 1 1 12 12 ASN CB C 12 40.629 40.629 39.778 0.851 18262 10019 1 17 . 1 1 12 12 ASN H H 12 7.285 7.285 7.386 -0.101 18262 10020 1 17 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.330 -0.131 18262 10021 1 17 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.712 -0.201 18262 10022 1 17 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.183 0.369 18262 10023 1 17 . 1 1 14 14 GLY N N 14 109.155 109.155 104.985 4.170 18262 10024 1 17 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.898 0.256 18262 10025 1 17 . 1 1 14 14 GLY H H 14 8.364 8.364 8.728 -0.364 18262 10026 1 17 . 1 1 15 15 LEU N N 15 124.654 124.654 122.999 1.655 18262 10027 1 17 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.045 0.292 18262 10028 1 17 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.959 0.588 18262 10029 1 17 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.793 -0.123 18262 10030 1 17 . 1 1 15 15 LEU H H 15 7.910 7.910 7.399 0.511 18262 10031 1 17 . 1 1 16 16 ALA N N 16 121.271 121.271 121.934 -0.663 18262 10032 1 17 . 1 1 16 16 ALA HA H 16 4.004 4.004 3.891 0.113 18262 10033 1 17 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.356 1.074 18262 10034 1 17 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.119 1.334 18262 10035 1 17 . 1 1 16 16 ALA H H 16 8.440 8.440 8.615 -0.175 18262 10036 1 17 . 1 1 17 17 GLU N N 17 117.125 117.125 119.241 -2.116 18262 10037 1 17 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.954 0.007 18262 10038 1 17 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.797 -0.185 18262 10039 1 17 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.722 0.280 18262 10040 1 17 . 1 1 17 17 GLU H H 17 7.971 7.971 8.405 -0.434 18262 10041 1 17 . 1 1 18 18 ASN N N 18 118.526 118.526 118.013 0.513 18262 10042 1 17 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.485 0.058 18262 10043 1 17 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.820 -0.524 18262 10044 1 17 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.732 -0.410 18262 10045 1 17 . 1 1 18 18 ASN H H 18 8.071 8.071 7.935 0.136 18262 10046 1 17 . 1 1 19 19 PHE N N 19 122.197 122.197 122.985 -0.788 18262 10047 1 17 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.088 -0.213 18262 10048 1 17 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.843 0.458 18262 10049 1 17 . 1 1 19 19 PHE CB C 19 39.499 39.499 38.885 0.615 18262 10050 1 17 . 1 1 19 19 PHE H H 19 9.658 9.658 8.714 0.944 18262 10051 1 17 . 1 1 20 20 MET N N 20 118.488 118.488 116.986 1.502 18262 10052 1 17 . 1 1 20 20 MET HA H 20 4.432 4.432 3.734 0.698 18262 10053 1 17 . 1 1 20 20 MET CA C 20 57.732 57.732 59.508 -1.776 18262 10054 1 17 . 1 1 20 20 MET CB C 20 31.999 31.999 32.326 -0.327 18262 10055 1 17 . 1 1 20 20 MET H H 20 8.874 8.874 8.760 0.114 18262 10056 1 17 . 1 1 21 21 ASN N N 21 118.434 118.434 119.239 -0.805 18262 10057 1 17 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.529 0.010 18262 10058 1 17 . 1 1 21 21 ASN CA C 21 56.268 56.268 57.029 -0.761 18262 10059 1 17 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.590 -0.604 18262 10060 1 17 . 1 1 21 21 ASN H H 21 8.468 8.468 8.046 0.422 18262 10061 1 17 . 1 1 22 22 SER N N 22 116.181 116.181 116.771 -0.590 18262 10062 1 17 . 1 1 22 22 SER HA H 22 4.193 4.193 4.172 0.021 18262 10063 1 17 . 1 1 22 22 SER CA C 22 62.195 62.195 61.931 0.264 18262 10064 1 17 . 1 1 22 22 SER CB C 22 62.997 62.997 63.099 -0.102 18262 10065 1 17 . 1 1 22 22 SER H H 22 7.936 7.936 7.924 0.012 18262 10066 1 17 . 1 1 23 23 PHE N N 23 125.045 125.045 124.183 0.862 18262 10067 1 17 . 1 1 23 23 PHE HA H 23 4.014 4.014 3.989 0.025 18262 10068 1 17 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.040 -0.577 18262 10069 1 17 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.923 0.046 18262 10070 1 17 . 1 1 23 23 PHE H H 23 9.054 9.054 8.461 0.593 18262 10071 1 17 . 1 1 24 24 MET N N 24 117.336 117.336 118.543 -1.207 18262 10072 1 17 . 1 1 24 24 MET HA H 24 4.029 4.029 3.727 0.302 18262 10073 1 17 . 1 1 24 24 MET CA C 24 56.117 56.117 59.283 -3.166 18262 10074 1 17 . 1 1 24 24 MET CB C 24 30.378 30.378 32.446 -2.068 18262 10075 1 17 . 1 1 24 24 MET H H 24 8.314 8.314 8.111 0.203 18262 10076 1 17 . 1 1 25 25 GLN N N 25 120.286 120.286 116.382 3.904 18262 10077 1 17 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.004 -0.022 18262 10078 1 17 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.388 0.818 18262 10079 1 17 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.308 -0.004 18262 10080 1 17 . 1 1 25 25 GLN H H 25 8.044 8.044 8.040 0.004 18262 10081 1 17 . 1 1 26 26 GLY N N 26 107.817 107.817 107.161 0.656 18262 10082 1 17 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.210 0.808 18262 10083 1 17 . 1 1 26 26 GLY H H 26 8.101 8.101 7.950 0.151 18262 10084 1 17 . 1 1 27 27 LEU N N 27 122.926 122.926 122.854 0.072 18262 10085 1 17 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.940 -0.154 18262 10086 1 17 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.758 0.636 18262 10087 1 17 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.259 0.849 18262 10088 1 17 . 1 1 27 27 LEU H H 27 8.391 8.391 8.071 0.320 18262 10089 1 17 . 1 1 28 28 SER N N 28 109.497 109.497 113.622 -4.125 18262 10090 1 17 . 1 1 28 28 SER HA H 28 4.150 4.150 4.229 -0.079 18262 10091 1 17 . 1 1 28 28 SER CA C 28 61.223 61.223 60.344 0.879 18262 10092 1 17 . 1 1 28 28 SER CB C 28 63.390 63.390 62.729 0.661 18262 10093 1 17 . 1 1 28 28 SER H H 28 7.519 7.519 7.822 -0.303 18262 10094 1 17 . 1 1 29 29 SER N N 29 114.590 114.590 115.151 -0.561 18262 10095 1 17 . 1 1 29 29 SER HA H 29 4.739 4.739 4.461 0.278 18262 10096 1 17 . 1 1 29 29 SER CA C 29 58.035 58.035 58.249 -0.214 18262 10097 1 17 . 1 1 29 29 SER CB C 29 64.626 64.626 63.782 0.844 18262 10098 1 17 . 1 1 29 29 SER H H 29 7.451 7.451 7.543 -0.092 18262 10099 1 17 . 1 1 30 30 MET N N 30 122.408 122.408 122.455 -0.047 18262 10100 1 17 . 1 1 30 30 MET HA H 30 4.946 4.946 4.857 0.089 18262 10101 1 17 . 1 1 30 30 MET CA C 30 53.633 53.633 53.077 0.556 18262 10102 1 17 . 1 1 30 30 MET CB C 30 32.300 32.300 32.704 -0.404 18262 10103 1 17 . 1 1 30 30 MET H H 30 7.659 7.659 7.532 0.127 18262 10104 1 17 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.441 0.227 18262 10105 1 17 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.468 -0.518 18262 10106 1 17 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.552 0.260 18262 10107 1 17 . 1 1 32 32 GLY N N 32 106.245 106.245 107.011 -0.766 18262 10108 1 17 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.090 0.701 18262 10109 1 17 . 1 1 32 32 GLY H H 32 8.407 8.407 8.602 -0.195 18262 10110 1 17 . 1 1 33 33 PHE N N 33 116.330 116.330 121.326 -4.996 18262 10111 1 17 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.925 0.232 18262 10112 1 17 . 1 1 33 33 PHE CA C 33 56.933 56.933 58.200 -1.266 18262 10113 1 17 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.848 1.264 18262 10114 1 17 . 1 1 33 33 PHE H H 33 7.865 7.865 7.415 0.450 18262 10115 1 17 . 1 1 34 34 THR N N 34 113.680 113.680 116.754 -3.074 18262 10116 1 17 . 1 1 34 34 THR HA H 34 4.544 4.544 4.741 -0.197 18262 10117 1 17 . 1 1 34 34 THR CA C 34 60.409 60.409 60.396 0.013 18262 10118 1 17 . 1 1 34 34 THR CB C 34 70.714 70.714 71.083 -0.369 18262 10119 1 17 . 1 1 34 34 THR H H 34 8.895 8.895 8.321 0.574 18262 10120 1 17 . 1 1 35 35 ALA N N 35 123.074 123.074 126.222 -3.148 18262 10121 1 17 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.004 0.081 18262 10122 1 17 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.554 0.343 18262 10123 1 17 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.569 -0.401 18262 10124 1 17 . 1 1 35 35 ALA H H 35 8.880 8.880 8.628 0.252 18262 10125 1 17 . 1 1 36 36 SER N N 36 112.915 112.915 115.196 -2.281 18262 10126 1 17 . 1 1 36 36 SER HA H 36 4.273 4.273 4.008 0.265 18262 10127 1 17 . 1 1 36 36 SER CA C 36 61.473 61.473 61.999 -0.526 18262 10128 1 17 . 1 1 36 36 SER CB C 36 62.441 62.441 62.756 -0.315 18262 10129 1 17 . 1 1 36 36 SER H H 36 8.413 8.413 8.378 0.035 18262 10130 1 17 . 1 1 37 37 GLN N N 37 121.627 121.627 121.194 0.433 18262 10131 1 17 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.059 0.217 18262 10132 1 17 . 1 1 37 37 GLN CA C 37 58.708 58.708 59.088 -0.380 18262 10133 1 17 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.945 0.248 18262 10134 1 17 . 1 1 37 37 GLN H H 37 7.639 7.639 7.682 -0.043 18262 10135 1 17 . 1 1 38 38 LEU N N 38 119.757 119.757 119.585 0.172 18262 10136 1 17 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.983 -0.156 18262 10137 1 17 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.754 1.245 18262 10138 1 17 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.431 0.595 18262 10139 1 17 . 1 1 38 38 LEU H H 38 8.351 8.351 8.342 0.009 18262 10140 1 17 . 1 1 39 39 ASP N N 39 122.097 122.097 120.608 1.489 18262 10141 1 17 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.303 0.133 18262 10142 1 17 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.837 -0.057 18262 10143 1 17 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.893 -0.521 18262 10144 1 17 . 1 1 39 39 ASP H H 39 7.962 7.962 8.252 -0.290 18262 10145 1 17 . 1 1 40 40 ASP N N 40 122.033 122.033 119.888 2.145 18262 10146 1 17 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.528 -0.038 18262 10147 1 17 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.481 1.409 18262 10148 1 17 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.080 -0.820 18262 10149 1 17 . 1 1 40 40 ASP H H 40 8.052 8.052 7.651 0.401 18262 10150 1 17 . 1 1 41 41 MET N N 41 121.130 121.130 118.795 2.335 18262 10151 1 17 . 1 1 41 41 MET HA H 41 4.191 4.191 4.090 0.101 18262 10152 1 17 . 1 1 41 41 MET CA C 41 57.798 57.798 57.862 -0.064 18262 10153 1 17 . 1 1 41 41 MET CB C 41 31.529 31.529 31.454 0.074 18262 10154 1 17 . 1 1 41 41 MET H H 41 8.708 8.708 8.640 0.068 18262 10155 1 17 . 1 1 42 42 SER N N 42 116.303 116.303 114.704 1.599 18262 10156 1 17 . 1 1 42 42 SER HA H 42 4.301 4.301 4.164 0.137 18262 10157 1 17 . 1 1 42 42 SER CA C 42 62.145 62.145 61.803 0.342 18262 10158 1 17 . 1 1 42 42 SER CB C 42 62.835 62.835 63.080 -0.245 18262 10159 1 17 . 1 1 42 42 SER H H 42 8.364 8.364 8.209 0.155 18262 10160 1 17 . 1 1 43 43 THR N N 43 119.136 119.136 118.954 0.182 18262 10161 1 17 . 1 1 43 43 THR HA H 43 4.051 4.051 4.256 -0.205 18262 10162 1 17 . 1 1 43 43 THR CA C 43 66.673 66.673 66.661 0.012 18262 10163 1 17 . 1 1 43 43 THR CB C 43 68.635 68.635 68.668 -0.033 18262 10164 1 17 . 1 1 43 43 THR H H 43 7.944 7.944 7.487 0.457 18262 10165 1 17 . 1 1 44 44 ILE N N 44 122.789 122.789 121.392 1.397 18262 10166 1 17 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.697 0.251 18262 10167 1 17 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.610 -0.963 18262 10168 1 17 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.336 0.711 18262 10169 1 17 . 1 1 44 44 ILE H H 44 7.856 7.856 8.496 -0.640 18262 10170 1 17 . 1 1 45 45 ALA N N 45 124.903 124.903 118.734 6.169 18262 10171 1 17 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.308 -0.174 18262 10172 1 17 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.082 1.997 18262 10173 1 17 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.732 0.246 18262 10174 1 17 . 1 1 45 45 ALA H H 45 8.868 8.868 8.024 0.844 18262 10175 1 17 . 1 1 46 46 GLN N N 46 116.435 116.435 116.748 -0.313 18262 10176 1 17 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.398 -0.334 18262 10177 1 17 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.832 1.141 18262 10178 1 17 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.782 -1.462 18262 10179 1 17 . 1 1 46 46 GLN H H 46 8.253 8.253 7.637 0.616 18262 10180 1 17 . 1 1 47 47 SER N N 47 116.211 116.211 117.714 -1.503 18262 10181 1 17 . 1 1 47 47 SER HA H 47 4.249 4.249 4.518 -0.269 18262 10182 1 17 . 1 1 47 47 SER CA C 47 61.766 61.766 61.347 0.418 18262 10183 1 17 . 1 1 47 47 SER CB C 47 62.874 62.874 63.063 -0.189 18262 10184 1 17 . 1 1 47 47 SER H H 47 8.242 8.242 8.539 -0.297 18262 10185 1 17 . 1 1 48 48 MET N N 48 122.179 122.179 120.757 1.422 18262 10186 1 17 . 1 1 48 48 MET HA H 48 4.109 4.109 4.185 -0.076 18262 10187 1 17 . 1 1 48 48 MET CA C 48 57.695 57.695 58.209 -0.514 18262 10188 1 17 . 1 1 48 48 MET CB C 48 31.370 31.370 32.100 -0.730 18262 10189 1 17 . 1 1 48 48 MET H H 48 8.198 8.198 7.865 0.333 18262 10190 1 17 . 1 1 49 49 VAL N N 49 118.918 118.918 117.747 1.171 18262 10191 1 17 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.636 -0.357 18262 10192 1 17 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.564 1.373 18262 10193 1 17 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.070 0.483 18262 10194 1 17 . 1 1 49 49 VAL H H 49 7.791 7.791 7.915 -0.124 18262 10195 1 17 . 1 1 50 50 GLN N N 50 118.407 118.407 118.519 -0.112 18262 10196 1 17 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.898 0.194 18262 10197 1 17 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.250 -0.124 18262 10198 1 17 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.178 0.024 18262 10199 1 17 . 1 1 50 50 GLN H H 50 8.206 8.206 7.889 0.317 18262 10200 1 17 . 1 1 51 51 SER N N 51 117.680 117.680 115.887 1.793 18262 10201 1 17 . 1 1 51 51 SER HA H 51 4.209 4.209 4.195 0.014 18262 10202 1 17 . 1 1 51 51 SER CA C 51 62.766 62.766 61.615 1.151 18262 10203 1 17 . 1 1 51 51 SER CB C 51 63.014 63.014 62.844 0.170 18262 10204 1 17 . 1 1 51 51 SER H H 51 8.394 8.394 7.602 0.792 18262 10205 1 17 . 1 1 52 52 ILE N N 52 123.233 123.233 121.945 1.288 18262 10206 1 17 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.682 -0.119 18262 10207 1 17 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.908 -0.027 18262 10208 1 17 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.490 0.381 18262 10209 1 17 . 1 1 52 52 ILE H H 52 8.135 8.135 7.522 0.613 18262 10210 1 17 . 1 1 53 53 GLN N N 53 119.911 119.911 119.447 0.464 18262 10211 1 17 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.030 -0.105 18262 10212 1 17 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.886 0.685 18262 10213 1 17 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.461 -0.528 18262 10214 1 17 . 1 1 53 53 GLN H H 53 8.600 8.600 8.537 0.063 18262 10215 1 17 . 1 1 54 54 SER N N 54 115.414 115.414 115.091 0.323 18262 10216 1 17 . 1 1 54 54 SER HA H 54 4.308 4.308 4.368 -0.060 18262 10217 1 17 . 1 1 54 54 SER CA C 54 61.468 61.468 61.427 0.041 18262 10218 1 17 . 1 1 54 54 SER CB C 54 62.950 62.950 63.658 -0.708 18262 10219 1 17 . 1 1 54 54 SER H H 54 8.304 8.304 7.804 0.500 18262 10220 1 17 . 1 1 55 55 LEU N N 55 121.576 121.576 123.560 -1.984 18262 10221 1 17 . 1 1 55 55 LEU HA H 55 4.065 4.065 3.929 0.136 18262 10222 1 17 . 1 1 55 55 LEU CA C 55 57.713 57.713 58.289 -0.576 18262 10223 1 17 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.963 0.390 18262 10224 1 17 . 1 1 55 55 LEU H H 55 7.881 7.881 8.196 -0.315 18262 10225 1 17 . 1 1 56 56 ALA N N 56 121.244 121.244 118.984 2.260 18262 10226 1 17 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.393 -0.161 18262 10227 1 17 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.967 0.434 18262 10228 1 17 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.648 -0.386 18262 10229 1 17 . 1 1 56 56 ALA H H 56 8.007 8.007 7.972 0.035 18262 10230 1 17 . 1 1 57 57 ALA N N 57 121.370 121.370 120.317 1.053 18262 10231 1 17 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.280 -0.067 18262 10232 1 17 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.123 0.393 18262 10233 1 17 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.063 -0.523 18262 10234 1 17 . 1 1 57 57 ALA H H 57 8.026 8.026 7.540 0.486 18262 10235 1 17 . 1 1 58 58 GLN N N 58 114.464 114.464 117.131 -2.667 18262 10236 1 17 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.357 -0.013 18262 10237 1 17 . 1 1 58 58 GLN CA C 58 56.027 56.027 56.922 -0.895 18262 10238 1 17 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.918 -0.231 18262 10239 1 17 . 1 1 58 58 GLN H H 58 7.759 7.759 8.334 -0.575 18262 10240 1 17 . 1 1 59 59 GLY N N 59 108.318 108.318 106.332 1.986 18262 10241 1 17 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.514 1.622 18262 10242 1 17 . 1 1 59 59 GLY H H 59 7.905 7.905 8.315 -0.410 18262 10243 1 17 . 1 1 60 60 ARG N N 60 118.325 118.325 120.280 -1.955 18262 10244 1 17 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.637 -0.111 18262 10245 1 17 . 1 1 60 60 ARG CA C 60 55.728 55.728 54.826 0.902 18262 10246 1 17 . 1 1 60 60 ARG CB C 60 31.690 31.690 33.288 -1.598 18262 10247 1 17 . 1 1 60 60 ARG H H 60 8.097 8.097 8.459 -0.362 18262 10248 1 17 . 1 1 61 61 THR N N 61 116.640 116.640 121.639 -4.999 18262 10249 1 17 . 1 1 61 61 THR HA H 61 4.782 4.782 4.369 0.413 18262 10250 1 17 . 1 1 61 61 THR CA C 61 63.339 63.339 62.479 0.860 18262 10251 1 17 . 1 1 61 61 THR CB C 61 68.819 68.819 68.162 0.657 18262 10252 1 17 . 1 1 61 61 THR H H 61 8.038 8.038 8.490 -0.452 18262 10253 1 17 . 1 1 62 62 SER N N 62 119.882 119.882 122.410 -2.528 18262 10254 1 17 . 1 1 62 62 SER HA H 62 4.899 4.899 4.579 0.320 18262 10255 1 17 . 1 1 62 62 SER CA C 62 56.263 56.263 57.172 -0.909 18262 10256 1 17 . 1 1 62 62 SER CB C 62 63.827 63.827 63.440 0.387 18262 10257 1 17 . 1 1 62 62 SER H H 62 7.792 7.792 7.817 -0.025 18262 10258 1 17 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.158 0.141 18262 10259 1 17 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.903 -0.087 18262 10260 1 17 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.832 0.385 18262 10261 1 17 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.505 0.042 18262 10262 1 17 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.684 -0.488 18262 10263 1 17 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.937 0.133 18262 10264 1 17 . 1 1 65 65 LYS N N 65 121.063 121.063 120.746 0.317 18262 10265 1 17 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.080 0.102 18262 10266 1 17 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.707 -0.155 18262 10267 1 17 . 1 1 65 65 LYS CB C 65 32.707 32.707 31.903 0.804 18262 10268 1 17 . 1 1 65 65 LYS H H 65 7.762 7.762 8.028 -0.266 18262 10269 1 17 . 1 1 66 66 LEU N N 66 119.082 119.082 119.246 -0.164 18262 10270 1 17 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.132 -0.069 18262 10271 1 17 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.890 0.108 18262 10272 1 17 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.620 0.841 18262 10273 1 17 . 1 1 66 66 LEU H H 66 7.934 7.934 7.744 0.190 18262 10274 1 17 . 1 1 67 67 GLN N N 67 119.220 119.220 117.944 1.276 18262 10275 1 17 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.201 0.006 18262 10276 1 17 . 1 1 67 67 GLN CA C 67 59.087 59.087 58.858 0.229 18262 10277 1 17 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.696 -0.481 18262 10278 1 17 . 1 1 67 67 GLN H H 67 8.201 8.201 7.679 0.522 18262 10279 1 17 . 1 1 68 68 ALA N N 68 121.749 121.749 122.764 -1.015 18262 10280 1 17 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.160 0.019 18262 10281 1 17 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.931 0.344 18262 10282 1 17 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.651 -0.545 18262 10283 1 17 . 1 1 68 68 ALA H H 68 7.739 7.739 7.926 -0.187 18262 10284 1 17 . 1 1 69 69 LEU N N 69 120.591 120.591 118.170 2.421 18262 10285 1 17 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.809 0.186 18262 10286 1 17 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.571 0.403 18262 10287 1 17 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.175 0.163 18262 10288 1 17 . 1 1 69 69 LEU H H 69 7.888 7.888 8.679 -0.791 18262 10289 1 17 . 1 1 70 70 ASN N N 70 119.586 119.586 118.175 1.411 18262 10290 1 17 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.251 -0.720 18262 10291 1 17 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.183 0.837 18262 10292 1 17 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.250 0.598 18262 10293 1 17 . 1 1 70 70 ASN H H 70 8.356 8.356 8.205 0.151 18262 10294 1 17 . 1 1 71 71 MET N N 71 117.354 117.354 118.344 -0.990 18262 10295 1 17 . 1 1 71 71 MET HA H 71 4.271 4.271 4.563 -0.292 18262 10296 1 17 . 1 1 71 71 MET CA C 71 59.088 59.088 58.361 0.727 18262 10297 1 17 . 1 1 71 71 MET CB C 71 32.746 32.746 32.766 -0.020 18262 10298 1 17 . 1 1 71 71 MET H H 71 8.207 8.207 7.507 0.700 18262 10299 1 17 . 1 1 72 72 ALA N N 72 123.354 123.354 123.569 -0.215 18262 10300 1 17 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.900 0.174 18262 10301 1 17 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.192 -0.065 18262 10302 1 17 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.093 0.064 18262 10303 1 17 . 1 1 72 72 ALA H H 72 8.075 8.075 7.853 0.222 18262 10304 1 17 . 1 1 73 73 PHE N N 73 120.968 120.968 116.583 4.385 18262 10305 1 17 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.288 0.230 18262 10306 1 17 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.765 0.667 18262 10307 1 17 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.026 1.571 18262 10308 1 17 . 1 1 73 73 PHE H H 73 8.546 8.546 8.161 0.385 18262 10309 1 17 . 1 1 74 74 ALA N N 74 119.865 119.865 122.480 -2.615 18262 10310 1 17 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.409 0.332 18262 10311 1 17 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.531 0.864 18262 10312 1 17 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.901 2.508 18262 10313 1 17 . 1 1 74 74 ALA H H 74 8.593 8.593 7.328 1.265 18262 10314 1 17 . 1 1 75 75 SER N N 75 112.870 112.870 113.382 -0.512 18262 10315 1 17 . 1 1 75 75 SER HA H 75 3.581 3.581 4.147 -0.566 18262 10316 1 17 . 1 1 75 75 SER CA C 75 61.879 61.879 60.863 1.016 18262 10317 1 17 . 1 1 75 75 SER CB C 75 62.010 62.010 62.257 -0.247 18262 10318 1 17 . 1 1 75 75 SER H H 75 8.501 8.501 8.157 0.344 18262 10319 1 17 . 1 1 76 76 SER N N 76 118.492 118.492 118.002 0.490 18262 10320 1 17 . 1 1 76 76 SER HA H 76 4.301 4.301 4.217 0.084 18262 10321 1 17 . 1 1 76 76 SER CA C 76 62.748 62.748 61.479 1.269 18262 10322 1 17 . 1 1 76 76 SER CB C 76 63.013 63.013 62.866 0.147 18262 10323 1 17 . 1 1 76 76 SER H H 76 8.152 8.152 7.570 0.582 18262 10324 1 17 . 1 1 77 77 MET N N 77 120.358 120.358 120.560 -0.202 18262 10325 1 17 . 1 1 77 77 MET HA H 77 3.999 3.999 4.336 -0.337 18262 10326 1 17 . 1 1 77 77 MET CA C 77 60.024 60.024 58.882 1.142 18262 10327 1 17 . 1 1 77 77 MET CB C 77 34.657 34.657 32.565 2.092 18262 10328 1 17 . 1 1 77 77 MET H H 77 8.130 8.130 8.118 0.012 18262 10329 1 17 . 1 1 78 78 ALA N N 78 121.547 121.547 121.678 -0.131 18262 10330 1 17 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.084 -0.158 18262 10331 1 17 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.572 0.024 18262 10332 1 17 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.154 2.245 18262 10333 1 17 . 1 1 78 78 ALA H H 78 8.534 8.534 8.081 0.453 18262 10334 1 17 . 1 1 79 79 GLU N N 79 116.654 116.654 117.467 -0.813 18262 10335 1 17 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.142 -0.162 18262 10336 1 17 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.596 0.806 18262 10337 1 17 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.136 0.687 18262 10338 1 17 . 1 1 79 79 GLU H H 79 7.557 7.557 7.743 -0.186 18262 10339 1 17 . 1 1 80 80 ILE N N 80 118.293 118.293 118.535 -0.242 18262 10340 1 17 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.011 -0.053 18262 10341 1 17 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.901 -0.116 18262 10342 1 17 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.270 0.037 18262 10343 1 17 . 1 1 80 80 ILE H H 80 7.239 7.239 7.271 -0.032 18262 10344 1 17 . 1 1 81 81 ALA N N 81 121.511 121.511 122.736 -1.225 18262 10345 1 17 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.199 -0.239 18262 10346 1 17 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.391 0.347 18262 10347 1 17 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.703 -0.746 18262 10348 1 17 . 1 1 81 81 ALA H H 81 8.595 8.595 8.515 0.080 18262 10349 1 17 . 1 1 82 82 ALA N N 82 116.183 116.183 117.674 -1.491 18262 10350 1 17 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.385 -0.097 18262 10351 1 17 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.123 1.478 18262 10352 1 17 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.527 0.867 18262 10353 1 17 . 1 1 82 82 ALA H H 82 8.001 8.001 7.491 0.510 18262 10354 1 17 . 1 1 83 83 SER N N 83 113.212 113.212 114.972 -1.760 18262 10355 1 17 . 1 1 83 83 SER HA H 83 4.319 4.319 4.380 -0.061 18262 10356 1 17 . 1 1 83 83 SER CA C 83 59.243 59.243 57.726 1.517 18262 10357 1 17 . 1 1 83 83 SER CB C 83 63.971 63.971 63.825 0.146 18262 10358 1 17 . 1 1 83 83 SER H H 83 7.391 7.391 7.573 -0.182 18262 10359 1 17 . 1 1 84 84 GLU N N 84 123.385 123.385 125.419 -2.034 18262 10360 1 17 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.379 0.052 18262 10361 1 17 . 1 1 84 84 GLU CA C 84 56.656 56.656 55.414 1.242 18262 10362 1 17 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.087 1.490 18262 10363 1 17 . 1 1 84 84 GLU H H 84 8.421 8.421 8.721 -0.300 18262 10364 1 17 . 1 1 85 85 GLU N N 85 121.674 121.674 119.568 2.106 18262 10365 1 17 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.432 -0.158 18262 10366 1 17 . 1 1 85 85 GLU CA C 85 57.127 57.127 56.269 0.858 18262 10367 1 17 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.874 -0.683 18262 10368 1 17 . 1 1 85 85 GLU H H 85 8.407 8.407 7.283 1.124 18262 10369 1 17 . 1 1 86 86 GLY N N 86 110.617 110.617 111.099 -0.482 18262 10370 1 17 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.441 1.283 18262 10371 1 17 . 1 1 86 86 GLY H H 86 8.564 8.564 8.550 0.014 18262 10372 1 17 . 1 1 87 87 GLY N N 87 108.562 108.562 107.165 1.397 18262 10373 1 17 . 1 1 87 87 GLY CA C 87 45.466 45.466 43.768 1.698 18262 10374 1 17 . 1 1 87 87 GLY H H 87 8.257 8.257 8.241 0.016 18262 10375 1 17 . 1 1 88 88 GLY N N 88 107.890 107.890 107.971 -0.081 18262 10376 1 17 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.657 0.227 18262 10377 1 17 . 1 1 88 88 GLY H H 88 8.100 8.100 8.128 -0.028 18262 10378 1 17 . 1 1 89 89 SER N N 89 115.889 115.889 113.532 2.357 18262 10379 1 17 . 1 1 89 89 SER HA H 89 4.594 4.594 4.756 -0.162 18262 10380 1 17 . 1 1 89 89 SER CA C 89 57.382 57.382 55.716 1.666 18262 10381 1 17 . 1 1 89 89 SER CB C 89 65.271 65.271 64.265 1.006 18262 10382 1 17 . 1 1 89 89 SER H H 89 8.474 8.474 7.987 0.487 18262 10383 1 17 . 1 1 90 90 LEU N N 90 124.688 124.688 122.651 2.037 18262 10384 1 17 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.167 -0.043 18262 10385 1 17 . 1 1 90 90 LEU CA C 90 58.560 58.560 57.437 1.123 18262 10386 1 17 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.993 -0.576 18262 10387 1 17 . 1 1 90 90 LEU H H 90 8.867 8.867 8.594 0.273 18262 10388 1 17 . 1 1 91 91 SER N N 91 114.045 114.045 114.030 0.015 18262 10389 1 17 . 1 1 91 91 SER CA C 91 61.331 61.331 61.882 -0.551 18262 10390 1 17 . 1 1 91 91 SER CB C 91 62.080 62.080 62.456 -0.376 18262 10391 1 17 . 1 1 91 91 SER H H 91 8.501 8.501 8.493 0.008 18262 10392 1 17 . 1 1 92 92 THR N N 92 121.036 121.036 117.529 3.507 18262 10393 1 17 . 1 1 92 92 THR HA H 92 4.006 4.006 4.011 -0.005 18262 10394 1 17 . 1 1 92 92 THR CA C 92 66.537 66.537 66.086 0.451 18262 10395 1 17 . 1 1 92 92 THR CB C 92 68.326 68.326 68.152 0.174 18262 10396 1 17 . 1 1 92 92 THR H H 92 7.818 7.818 8.054 -0.236 18262 10397 1 17 . 1 1 93 93 LYS N N 93 120.426 120.426 121.618 -1.192 18262 10398 1 17 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.776 0.013 18262 10399 1 17 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.163 1.951 18262 10400 1 17 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.758 1.711 18262 10401 1 17 . 1 1 93 93 LYS H H 93 8.146 8.146 7.718 0.428 18262 10402 1 17 . 1 1 94 94 THR N N 94 111.775 111.775 112.731 -0.956 18262 10403 1 17 . 1 1 94 94 THR HA H 94 3.933 3.933 4.129 -0.196 18262 10404 1 17 . 1 1 94 94 THR CA C 94 67.228 67.228 66.231 0.997 18262 10405 1 17 . 1 1 94 94 THR CB C 94 68.083 68.083 68.462 -0.379 18262 10406 1 17 . 1 1 94 94 THR H H 94 8.881 8.881 8.509 0.372 18262 10407 1 17 . 1 1 95 95 SER N N 95 119.066 119.066 118.988 0.078 18262 10408 1 17 . 1 1 95 95 SER HA H 95 4.397 4.397 4.149 0.248 18262 10409 1 17 . 1 1 95 95 SER CA C 95 62.060 62.060 62.838 -0.778 18262 10410 1 17 . 1 1 95 95 SER CB C 95 62.693 62.693 62.766 -0.073 18262 10411 1 17 . 1 1 95 95 SER H H 95 8.134 8.134 8.086 0.048 18262 10412 1 17 . 1 1 96 96 SER N N 96 121.588 121.588 119.235 2.353 18262 10413 1 17 . 1 1 96 96 SER HA H 96 4.462 4.462 4.263 0.199 18262 10414 1 17 . 1 1 96 96 SER CA C 96 62.623 62.623 61.801 0.822 18262 10415 1 17 . 1 1 96 96 SER CB C 96 62.866 62.866 63.370 -0.504 18262 10416 1 17 . 1 1 96 96 SER H H 96 8.642 8.642 7.701 0.941 18262 10417 1 17 . 1 1 97 97 ILE N N 97 122.467 122.467 123.048 -0.581 18262 10418 1 17 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.803 -0.006 18262 10419 1 17 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.837 0.997 18262 10420 1 17 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.895 0.820 18262 10421 1 17 . 1 1 97 97 ILE H H 97 8.482 8.482 8.081 0.401 18262 10422 1 17 . 1 1 98 98 ALA N N 98 122.100 122.100 121.488 0.612 18262 10423 1 17 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.140 -0.086 18262 10424 1 17 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.380 0.848 18262 10425 1 17 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.355 0.062 18262 10426 1 17 . 1 1 98 98 ALA H H 98 8.437 8.437 8.452 -0.015 18262 10427 1 17 . 1 1 99 99 SER N N 99 115.737 115.737 115.187 0.550 18262 10428 1 17 . 1 1 99 99 SER HA H 99 4.366 4.366 4.323 0.043 18262 10429 1 17 . 1 1 99 99 SER CA C 99 62.029 62.029 62.092 -0.063 18262 10430 1 17 . 1 1 99 99 SER CB C 99 63.230 63.230 63.106 0.124 18262 10431 1 17 . 1 1 99 99 SER H H 99 8.658 8.658 7.655 1.003 18262 10432 1 17 . 1 1 100 100 ALA N N 100 124.292 124.292 125.274 -0.982 18262 10433 1 17 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.925 0.320 18262 10434 1 17 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.233 0.158 18262 10435 1 17 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.158 0.334 18262 10436 1 17 . 1 1 100 100 ALA H H 100 8.976 8.976 8.557 0.419 18262 10437 1 17 . 1 1 101 101 MET N N 101 119.143 119.143 117.434 1.709 18262 10438 1 17 . 1 1 101 101 MET HA H 101 4.054 4.054 3.970 0.084 18262 10439 1 17 . 1 1 101 101 MET CA C 101 61.026 61.026 59.630 1.396 18262 10440 1 17 . 1 1 101 101 MET CB C 101 34.483 34.483 32.681 1.802 18262 10441 1 17 . 1 1 101 101 MET H H 101 9.063 9.063 8.116 0.947 18262 10442 1 17 . 1 1 102 102 SER N N 102 116.778 116.778 116.025 0.753 18262 10443 1 17 . 1 1 102 102 SER HA H 102 4.363 4.363 4.417 -0.054 18262 10444 1 17 . 1 1 102 102 SER CA C 102 63.348 63.348 62.425 0.923 18262 10445 1 17 . 1 1 102 102 SER CB C 102 62.593 62.593 63.155 -0.562 18262 10446 1 17 . 1 1 102 102 SER H H 102 8.693 8.693 8.060 0.633 18262 10447 1 17 . 1 1 103 103 ASN N N 103 117.982 117.982 119.939 -1.957 18262 10448 1 17 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.573 -0.109 18262 10449 1 17 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.769 0.893 18262 10450 1 17 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.417 0.100 18262 10451 1 17 . 1 1 103 103 ASN H H 103 8.108 8.108 8.184 -0.076 18262 10452 1 17 . 1 1 104 104 ALA N N 104 122.272 122.272 122.370 -0.098 18262 10453 1 17 . 1 1 104 104 ALA HA H 104 4.240 4.240 3.998 0.242 18262 10454 1 17 . 1 1 104 104 ALA CA C 104 54.843 54.843 54.832 0.011 18262 10455 1 17 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.081 0.152 18262 10456 1 17 . 1 1 104 104 ALA H H 104 7.892 7.892 7.878 0.014 18262 10457 1 17 . 1 1 105 105 PHE N N 105 119.096 119.096 118.980 0.116 18262 10458 1 17 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.474 -0.074 18262 10459 1 17 . 1 1 105 105 PHE CA C 105 63.843 63.843 61.164 2.679 18262 10460 1 17 . 1 1 105 105 PHE CB C 105 39.487 39.487 38.886 0.601 18262 10461 1 17 . 1 1 105 105 PHE H H 105 8.580 8.580 8.652 -0.072 18262 10462 1 17 . 1 1 106 106 LEU N N 106 121.540 121.540 118.523 3.017 18262 10463 1 17 . 1 1 106 106 LEU HA H 106 3.736 3.736 3.937 -0.201 18262 10464 1 17 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.942 1.214 18262 10465 1 17 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.436 -0.101 18262 10466 1 17 . 1 1 106 106 LEU H H 106 8.226 8.226 7.547 0.679 18262 10467 1 17 . 1 1 107 107 GLN N N 107 114.603 114.603 117.088 -2.485 18262 10468 1 17 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.280 -0.090 18262 10469 1 17 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.154 -0.736 18262 10470 1 17 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.454 1.037 18262 10471 1 17 . 1 1 107 107 GLN H H 107 8.132 8.132 7.948 0.184 18262 10472 1 17 . 1 1 108 108 THR N N 108 108.290 108.290 112.269 -3.979 18262 10473 1 17 . 1 1 108 108 THR HA H 108 4.518 4.518 4.418 0.100 18262 10474 1 17 . 1 1 108 108 THR CA C 108 62.483 62.483 64.072 -1.589 18262 10475 1 17 . 1 1 108 108 THR CB C 108 70.390 70.390 69.344 1.046 18262 10476 1 17 . 1 1 108 108 THR H H 108 7.726 7.726 7.649 0.077 18262 10477 1 17 . 1 1 109 109 THR N N 109 113.407 113.407 113.156 0.251 18262 10478 1 17 . 1 1 109 109 THR HA H 109 4.586 4.586 4.511 0.075 18262 10479 1 17 . 1 1 109 109 THR CA C 109 62.325 62.325 61.785 0.540 18262 10480 1 17 . 1 1 109 109 THR CB C 109 70.696 70.696 69.756 0.940 18262 10481 1 17 . 1 1 109 109 THR H H 109 8.907 8.907 8.046 0.861 18262 10482 1 17 . 1 1 110 110 GLY N N 110 109.267 109.267 110.967 -1.700 18262 10483 1 17 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.528 0.040 18262 10484 1 17 . 1 1 110 110 GLY H H 110 8.361 8.361 8.480 -0.119 18262 10485 1 17 . 1 1 111 111 VAL N N 111 119.375 119.375 120.476 -1.101 18262 10486 1 17 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.310 -0.055 18262 10487 1 17 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.163 0.719 18262 10488 1 17 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.283 1.153 18262 10489 1 17 . 1 1 111 111 VAL H H 111 7.784 7.784 7.383 0.401 18262 10490 1 17 . 1 1 112 112 VAL N N 112 125.327 125.327 126.261 -0.934 18262 10491 1 17 . 1 1 112 112 VAL HA H 112 3.212 3.212 3.972 -0.760 18262 10492 1 17 . 1 1 112 112 VAL CA C 112 64.479 64.479 61.573 2.906 18262 10493 1 17 . 1 1 112 112 VAL CB C 112 32.696 32.696 32.217 0.479 18262 10494 1 17 . 1 1 112 112 VAL H H 112 8.747 8.747 8.200 0.547 18262 10495 1 17 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.659 -0.157 18262 10496 1 17 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.564 -1.371 18262 10497 1 17 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.081 -0.959 18262 10498 1 17 . 1 1 114 114 GLN N N 114 124.067 124.067 126.606 -2.539 18262 10499 1 17 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.224 -0.287 18262 10500 1 17 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.819 -1.401 18262 10501 1 17 . 1 1 114 114 GLN CB C 114 26.547 26.547 26.761 -0.214 18262 10502 1 17 . 1 1 114 114 GLN H H 114 8.394 8.394 8.284 0.110 18262 10503 1 17 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.246 0.004 18262 10504 1 17 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.683 0.989 18262 10505 1 17 . 1 1 115 115 PRO CB C 115 31.299 31.299 30.971 0.328 18262 10506 1 17 . 1 1 116 116 PHE N N 116 117.820 117.820 119.029 -1.209 18262 10507 1 17 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.312 -0.110 18262 10508 1 17 . 1 1 116 116 PHE CA C 116 61.331 61.331 60.938 0.393 18262 10509 1 17 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.327 0.192 18262 10510 1 17 . 1 1 116 116 PHE H H 116 7.268 7.268 7.678 -0.410 18262 10511 1 17 . 1 1 117 117 ILE N N 117 119.434 119.434 119.654 -0.220 18262 10512 1 17 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.612 -0.078 18262 10513 1 17 . 1 1 117 117 ILE CA C 117 65.747 65.747 64.887 0.860 18262 10514 1 17 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.568 0.627 18262 10515 1 17 . 1 1 117 117 ILE H H 117 7.641 7.641 7.878 -0.237 18262 10516 1 17 . 1 1 118 118 ASN N N 118 119.834 119.834 118.915 0.919 18262 10517 1 17 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.588 -0.275 18262 10518 1 17 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.721 -0.020 18262 10519 1 17 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.953 -0.432 18262 10520 1 17 . 1 1 118 118 ASN H H 118 8.985 8.985 8.682 0.303 18262 10521 1 17 . 1 1 119 119 GLU N N 119 121.164 121.164 121.446 -0.282 18262 10522 1 17 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.161 -0.138 18262 10523 1 17 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.514 1.123 18262 10524 1 17 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.487 0.229 18262 10525 1 17 . 1 1 119 119 GLU H H 119 8.090 8.090 7.585 0.505 18262 10526 1 17 . 1 1 120 120 ILE N N 120 117.906 117.906 118.982 -1.076 18262 10527 1 17 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.674 0.080 18262 10528 1 17 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.180 -1.212 18262 10529 1 17 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.738 -0.924 18262 10530 1 17 . 1 1 120 120 ILE H H 120 8.025 8.025 8.429 -0.404 18262 10531 1 17 . 1 1 121 121 THR N N 121 112.720 112.720 111.998 0.722 18262 10532 1 17 . 1 1 121 121 THR HA H 121 3.767 3.767 3.932 -0.165 18262 10533 1 17 . 1 1 121 121 THR CA C 121 67.203 67.203 66.001 1.202 18262 10534 1 17 . 1 1 121 121 THR CB C 121 68.380 68.380 68.328 0.052 18262 10535 1 17 . 1 1 121 121 THR H H 121 8.665 8.665 7.969 0.696 18262 10536 1 17 . 1 1 122 122 GLN N N 122 123.165 123.165 121.605 1.560 18262 10537 1 17 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.311 -0.223 18262 10538 1 17 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.303 0.959 18262 10539 1 17 . 1 1 122 122 GLN CB C 122 28.161 28.161 29.220 -1.059 18262 10540 1 17 . 1 1 122 122 GLN H H 122 8.128 8.128 7.529 0.599 18262 10541 1 17 . 1 1 123 123 LEU N N 123 120.702 120.702 121.616 -0.914 18262 10542 1 17 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.637 0.286 18262 10543 1 17 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.384 -0.266 18262 10544 1 17 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.471 1.519 18262 10545 1 17 . 1 1 123 123 LEU H H 123 8.173 8.173 8.410 -0.237 18262 10546 1 17 . 1 1 124 124 VAL N N 124 118.840 118.840 118.225 0.615 18262 10547 1 17 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.925 -0.310 18262 10548 1 17 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.147 1.177 18262 10549 1 17 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.836 0.717 18262 10550 1 17 . 1 1 124 124 VAL H H 124 8.742 8.742 8.662 0.080 18262 10551 1 17 . 1 1 125 125 SER N N 125 112.613 112.613 115.117 -2.504 18262 10552 1 17 . 1 1 125 125 SER HA H 125 4.050 4.050 4.134 -0.084 18262 10553 1 17 . 1 1 125 125 SER CA C 125 62.568 62.568 61.576 0.992 18262 10554 1 17 . 1 1 125 125 SER CB C 125 62.960 62.960 63.003 -0.043 18262 10555 1 17 . 1 1 125 125 SER H H 125 7.883 7.883 7.507 0.376 18262 10556 1 17 . 1 1 126 126 MET N N 126 120.939 120.939 121.310 -0.371 18262 10557 1 17 . 1 1 126 126 MET HA H 126 4.052 4.052 4.225 -0.173 18262 10558 1 17 . 1 1 126 126 MET CA C 126 59.009 59.009 57.132 1.877 18262 10559 1 17 . 1 1 126 126 MET CB C 126 32.780 32.780 31.767 1.013 18262 10560 1 17 . 1 1 126 126 MET H H 126 8.091 8.091 7.845 0.246 18262 10561 1 17 . 1 1 127 127 PHE N N 127 118.732 118.732 117.567 1.165 18262 10562 1 17 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.287 0.178 18262 10563 1 17 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.828 0.768 18262 10564 1 17 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.077 1.834 18262 10565 1 17 . 1 1 127 127 PHE H H 127 8.755 8.755 8.710 0.045 18262 10566 1 17 . 1 1 128 128 ALA N N 128 121.647 121.647 121.932 -0.285 18262 10567 1 17 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.130 0.087 18262 10568 1 17 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.766 -0.262 18262 10569 1 17 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.286 1.271 18262 10570 1 17 . 1 1 128 128 ALA H H 128 8.638 8.638 7.505 1.133 18262 10571 1 17 . 1 1 129 129 GLN N N 129 115.892 115.892 117.735 -1.843 18262 10572 1 17 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.305 -0.082 18262 10573 1 17 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.836 -0.596 18262 10574 1 17 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.980 0.397 18262 10575 1 17 . 1 1 129 129 GLN H H 129 7.789 7.789 7.861 -0.072 18262 10576 1 17 . 1 1 130 130 ALA N N 130 122.349 122.349 120.004 2.345 18262 10577 1 17 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.446 -0.175 18262 10578 1 17 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.087 1.820 18262 10579 1 17 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.448 -0.463 18262 10580 1 17 . 1 1 130 130 ALA H H 130 7.791 7.791 8.265 -0.474 18262 10581 1 17 . 1 1 131 131 GLY N N 131 106.497 106.497 107.935 -1.438 18262 10582 1 17 . 1 1 131 131 GLY CA C 131 45.772 45.772 44.901 0.871 18262 10583 1 17 . 1 1 131 131 GLY H H 131 8.157 8.157 7.942 0.215 18262 10584 1 17 . 1 1 132 132 MET N N 132 119.229 119.229 117.566 1.663 18262 10585 1 17 . 1 1 132 132 MET HA H 132 4.473 4.473 4.575 -0.102 18262 10586 1 17 . 1 1 132 132 MET CA C 132 55.973 55.973 56.261 -0.288 18262 10587 1 17 . 1 1 132 132 MET CB C 132 33.129 33.129 33.487 -0.358 18262 10588 1 17 . 1 1 132 132 MET H H 132 7.929 7.929 7.735 0.194 18262 10589 1 17 . 1 1 133 133 ASN N N 133 118.982 118.982 118.480 0.502 18262 10590 1 17 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.868 -0.127 18262 10591 1 17 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.636 -0.268 18262 10592 1 17 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.200 0.149 18262 10593 1 17 . 1 1 133 133 ASN H H 133 8.334 8.334 8.123 0.211 18262 10594 1 17 . 1 1 134 134 ASP N N 134 120.983 120.983 124.174 -3.191 18262 10595 1 17 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.718 -0.075 18262 10596 1 17 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.337 0.170 18262 10597 1 17 . 1 1 134 134 ASP CB C 134 41.283 41.283 42.016 -0.733 18262 10598 1 17 . 1 1 134 134 ASP H H 134 8.282 8.282 8.275 0.007 18262 10599 1 17 . 1 1 135 135 VAL N N 135 119.922 119.922 123.118 -3.196 18262 10600 1 17 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.308 -0.111 18262 10601 1 17 . 1 1 135 135 VAL CA C 135 62.327 62.327 62.651 -0.324 18262 10602 1 17 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.968 -0.254 18262 10603 1 17 . 1 1 135 135 VAL H H 135 8.080 8.080 8.055 0.025 18262 10604 1 17 . 1 1 136 136 SER N N 136 119.994 119.994 115.480 4.514 18262 10605 1 17 . 1 1 136 136 SER HA H 136 4.459 4.459 4.520 -0.061 18262 10606 1 17 . 1 1 136 136 SER CA C 136 58.412 58.412 58.258 0.154 18262 10607 1 17 . 1 1 136 136 SER CB C 136 64.068 64.068 62.706 1.362 18262 10608 1 17 . 1 1 136 136 SER H H 136 8.397 8.397 7.884 0.513 18262 10609 1 18 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.636 0.634 18262 10610 1 18 . 1 1 4 4 ASN N N 4 124.122 124.122 117.090 7.032 18262 10611 1 18 . 1 1 4 4 ASN CA C 4 54.827 54.827 54.490 0.337 18262 10612 1 18 . 1 1 4 4 ASN H H 4 7.979 7.979 8.440 -0.461 18262 10613 1 18 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.976 -0.284 18262 10614 1 18 . 1 1 6 6 HIS CA C 6 56.068 56.068 54.641 1.427 18262 10615 1 18 . 1 1 6 6 HIS CB C 6 31.102 31.102 31.588 -0.486 18262 10616 1 18 . 1 1 7 7 THR N N 7 115.462 115.462 116.863 -1.401 18262 10617 1 18 . 1 1 7 7 THR HA H 7 4.312 4.312 4.324 -0.012 18262 10618 1 18 . 1 1 7 7 THR CA C 7 62.316 62.316 59.536 2.780 18262 10619 1 18 . 1 1 7 7 THR CB C 7 69.849 69.849 69.823 0.026 18262 10620 1 18 . 1 1 7 7 THR H H 7 8.132 8.132 8.390 -0.258 18262 10621 1 18 . 1 1 8 8 THR N N 8 115.752 115.752 115.773 -0.021 18262 10622 1 18 . 1 1 8 8 THR HA H 8 4.164 4.164 4.129 0.035 18262 10623 1 18 . 1 1 8 8 THR CA C 8 58.419 58.419 59.088 -0.669 18262 10624 1 18 . 1 1 8 8 THR CB C 8 69.385 69.385 68.573 0.812 18262 10625 1 18 . 1 1 8 8 THR H H 8 7.981 7.981 7.998 -0.017 18262 10626 1 18 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.077 -0.125 18262 10627 1 18 . 1 1 9 9 PRO CA C 9 63.035 63.035 64.180 -1.145 18262 10628 1 18 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.541 0.118 18262 10629 1 18 . 1 1 10 10 TRP N N 10 111.703 111.703 113.928 -2.225 18262 10630 1 18 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.632 0.264 18262 10631 1 18 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.232 -1.763 18262 10632 1 18 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.324 2.922 18262 10633 1 18 . 1 1 10 10 TRP H H 10 6.710 6.710 6.863 -0.153 18262 10634 1 18 . 1 1 11 11 THR N N 11 106.459 106.459 113.464 -7.005 18262 10635 1 18 . 1 1 11 11 THR HA H 11 3.893 3.893 4.235 -0.342 18262 10636 1 18 . 1 1 11 11 THR CA C 11 64.050 64.050 63.546 0.504 18262 10637 1 18 . 1 1 11 11 THR CB C 11 69.312 69.312 69.251 0.061 18262 10638 1 18 . 1 1 11 11 THR H H 11 7.197 7.197 7.508 -0.311 18262 10639 1 18 . 1 1 12 12 ASN N N 12 116.465 116.465 117.983 -1.518 18262 10640 1 18 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.088 0.020 18262 10641 1 18 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.996 0.329 18262 10642 1 18 . 1 1 12 12 ASN CB C 12 40.629 40.629 39.781 0.848 18262 10643 1 18 . 1 1 12 12 ASN H H 12 7.285 7.285 7.426 -0.141 18262 10644 1 18 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.435 -0.236 18262 10645 1 18 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.669 -0.158 18262 10646 1 18 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.344 0.208 18262 10647 1 18 . 1 1 14 14 GLY N N 14 109.155 109.155 104.787 4.368 18262 10648 1 18 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.975 0.179 18262 10649 1 18 . 1 1 14 14 GLY H H 14 8.364 8.364 8.925 -0.561 18262 10650 1 18 . 1 1 15 15 LEU N N 15 124.654 124.654 122.569 2.085 18262 10651 1 18 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.096 0.241 18262 10652 1 18 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.757 0.790 18262 10653 1 18 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.739 -0.069 18262 10654 1 18 . 1 1 15 15 LEU H H 15 7.910 7.910 7.554 0.356 18262 10655 1 18 . 1 1 16 16 ALA N N 16 121.271 121.271 122.554 -1.283 18262 10656 1 18 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.066 -0.062 18262 10657 1 18 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.800 0.630 18262 10658 1 18 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.130 1.323 18262 10659 1 18 . 1 1 16 16 ALA H H 16 8.440 8.440 8.500 -0.060 18262 10660 1 18 . 1 1 17 17 GLU N N 17 117.125 117.125 117.816 -0.691 18262 10661 1 18 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.026 -0.065 18262 10662 1 18 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.127 0.485 18262 10663 1 18 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.227 0.775 18262 10664 1 18 . 1 1 17 17 GLU H H 17 7.971 7.971 8.315 -0.344 18262 10665 1 18 . 1 1 18 18 ASN N N 18 118.526 118.526 119.028 -0.502 18262 10666 1 18 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.549 -0.006 18262 10667 1 18 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.709 -0.413 18262 10668 1 18 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.861 -0.540 18262 10669 1 18 . 1 1 18 18 ASN H H 18 8.071 8.071 7.653 0.418 18262 10670 1 18 . 1 1 19 19 PHE N N 19 122.197 122.197 123.300 -1.103 18262 10671 1 18 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.291 -0.416 18262 10672 1 18 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.836 0.464 18262 10673 1 18 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.158 0.341 18262 10674 1 18 . 1 1 19 19 PHE H H 19 9.658 9.658 8.993 0.665 18262 10675 1 18 . 1 1 20 20 MET N N 20 118.488 118.488 117.635 0.853 18262 10676 1 18 . 1 1 20 20 MET HA H 20 4.432 4.432 3.827 0.605 18262 10677 1 18 . 1 1 20 20 MET CA C 20 57.732 57.732 57.956 -0.224 18262 10678 1 18 . 1 1 20 20 MET CB C 20 31.999 31.999 31.466 0.533 18262 10679 1 18 . 1 1 20 20 MET H H 20 8.874 8.874 8.383 0.491 18262 10680 1 18 . 1 1 21 21 ASN N N 21 118.434 118.434 118.788 -0.354 18262 10681 1 18 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.492 0.047 18262 10682 1 18 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.915 -0.647 18262 10683 1 18 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.416 -0.430 18262 10684 1 18 . 1 1 21 21 ASN H H 21 8.468 8.468 8.104 0.364 18262 10685 1 18 . 1 1 22 22 SER N N 22 116.181 116.181 116.938 -0.757 18262 10686 1 18 . 1 1 22 22 SER HA H 22 4.193 4.193 4.177 0.016 18262 10687 1 18 . 1 1 22 22 SER CA C 22 62.195 62.195 62.116 0.079 18262 10688 1 18 . 1 1 22 22 SER CB C 22 62.997 62.997 63.135 -0.138 18262 10689 1 18 . 1 1 22 22 SER H H 22 7.936 7.936 8.154 -0.218 18262 10690 1 18 . 1 1 23 23 PHE N N 23 125.045 125.045 124.388 0.657 18262 10691 1 18 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.094 -0.080 18262 10692 1 18 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.929 -0.466 18262 10693 1 18 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.899 0.070 18262 10694 1 18 . 1 1 23 23 PHE H H 23 9.054 9.054 8.579 0.475 18262 10695 1 18 . 1 1 24 24 MET N N 24 117.336 117.336 119.505 -2.169 18262 10696 1 18 . 1 1 24 24 MET HA H 24 4.029 4.029 3.651 0.378 18262 10697 1 18 . 1 1 24 24 MET CA C 24 56.117 56.117 59.484 -3.367 18262 10698 1 18 . 1 1 24 24 MET CB C 24 30.378 30.378 32.475 -2.097 18262 10699 1 18 . 1 1 24 24 MET H H 24 8.314 8.314 8.568 -0.254 18262 10700 1 18 . 1 1 25 25 GLN N N 25 120.286 120.286 116.862 3.424 18262 10701 1 18 . 1 1 25 25 GLN HA H 25 3.982 3.982 3.960 0.022 18262 10702 1 18 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.780 0.426 18262 10703 1 18 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.218 0.086 18262 10704 1 18 . 1 1 25 25 GLN H H 25 8.044 8.044 8.219 -0.175 18262 10705 1 18 . 1 1 26 26 GLY N N 26 107.817 107.817 107.565 0.252 18262 10706 1 18 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.374 0.644 18262 10707 1 18 . 1 1 26 26 GLY H H 26 8.101 8.101 7.978 0.123 18262 10708 1 18 . 1 1 27 27 LEU N N 27 122.926 122.926 123.768 -0.842 18262 10709 1 18 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.954 -0.168 18262 10710 1 18 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.724 0.670 18262 10711 1 18 . 1 1 27 27 LEU CB C 27 42.108 42.108 40.361 1.747 18262 10712 1 18 . 1 1 27 27 LEU H H 27 8.391 8.391 8.354 0.037 18262 10713 1 18 . 1 1 28 28 SER N N 28 109.497 109.497 113.554 -4.057 18262 10714 1 18 . 1 1 28 28 SER HA H 28 4.150 4.150 4.133 0.017 18262 10715 1 18 . 1 1 28 28 SER CA C 28 61.223 61.223 60.348 0.875 18262 10716 1 18 . 1 1 28 28 SER CB C 28 63.390 63.390 63.060 0.330 18262 10717 1 18 . 1 1 28 28 SER H H 28 7.519 7.519 8.152 -0.633 18262 10718 1 18 . 1 1 29 29 SER N N 29 114.590 114.590 115.686 -1.096 18262 10719 1 18 . 1 1 29 29 SER HA H 29 4.739 4.739 4.465 0.274 18262 10720 1 18 . 1 1 29 29 SER CA C 29 58.035 58.035 59.323 -1.288 18262 10721 1 18 . 1 1 29 29 SER CB C 29 64.626 64.626 63.747 0.879 18262 10722 1 18 . 1 1 29 29 SER H H 29 7.451 7.451 7.541 -0.090 18262 10723 1 18 . 1 1 30 30 MET N N 30 122.408 122.408 122.090 0.318 18262 10724 1 18 . 1 1 30 30 MET HA H 30 4.946 4.946 4.829 0.117 18262 10725 1 18 . 1 1 30 30 MET CA C 30 53.633 53.633 53.481 0.152 18262 10726 1 18 . 1 1 30 30 MET CB C 30 32.300 32.300 32.793 -0.493 18262 10727 1 18 . 1 1 30 30 MET H H 30 7.659 7.659 7.573 0.086 18262 10728 1 18 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.604 0.064 18262 10729 1 18 . 1 1 31 31 PRO CA C 31 62.950 62.950 62.710 0.240 18262 10730 1 18 . 1 1 31 31 PRO CB C 31 32.812 32.812 33.120 -0.308 18262 10731 1 18 . 1 1 32 32 GLY N N 32 106.245 106.245 105.481 0.764 18262 10732 1 18 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.494 0.297 18262 10733 1 18 . 1 1 32 32 GLY H H 32 8.407 8.407 8.620 -0.213 18262 10734 1 18 . 1 1 33 33 PHE N N 33 116.330 116.330 118.373 -2.043 18262 10735 1 18 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.925 0.232 18262 10736 1 18 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.401 -0.468 18262 10737 1 18 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.294 0.818 18262 10738 1 18 . 1 1 33 33 PHE H H 33 7.865 7.865 7.673 0.192 18262 10739 1 18 . 1 1 34 34 THR N N 34 113.680 113.680 114.148 -0.468 18262 10740 1 18 . 1 1 34 34 THR HA H 34 4.544 4.544 4.649 -0.105 18262 10741 1 18 . 1 1 34 34 THR CA C 34 60.409 60.409 59.870 0.539 18262 10742 1 18 . 1 1 34 34 THR CB C 34 70.714 70.714 71.332 -0.618 18262 10743 1 18 . 1 1 34 34 THR H H 34 8.895 8.895 8.153 0.742 18262 10744 1 18 . 1 1 35 35 ALA N N 35 123.074 123.074 125.977 -2.903 18262 10745 1 18 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.053 0.032 18262 10746 1 18 . 1 1 35 35 ALA CA C 35 55.897 55.897 54.919 0.978 18262 10747 1 18 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.628 -0.460 18262 10748 1 18 . 1 1 35 35 ALA H H 35 8.880 8.880 8.654 0.226 18262 10749 1 18 . 1 1 36 36 SER N N 36 112.915 112.915 112.995 -0.080 18262 10750 1 18 . 1 1 36 36 SER HA H 36 4.273 4.273 4.090 0.183 18262 10751 1 18 . 1 1 36 36 SER CA C 36 61.473 61.473 60.921 0.552 18262 10752 1 18 . 1 1 36 36 SER CB C 36 62.441 62.441 62.779 -0.337 18262 10753 1 18 . 1 1 36 36 SER H H 36 8.413 8.413 8.490 -0.077 18262 10754 1 18 . 1 1 37 37 GLN N N 37 121.627 121.627 121.069 0.558 18262 10755 1 18 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.247 0.029 18262 10756 1 18 . 1 1 37 37 GLN CA C 37 58.708 58.708 57.846 0.862 18262 10757 1 18 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.529 0.664 18262 10758 1 18 . 1 1 37 37 GLN H H 37 7.639 7.639 7.696 -0.057 18262 10759 1 18 . 1 1 38 38 LEU N N 38 119.757 119.757 118.918 0.839 18262 10760 1 18 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.971 -0.144 18262 10761 1 18 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.291 0.708 18262 10762 1 18 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.049 -0.023 18262 10763 1 18 . 1 1 38 38 LEU H H 38 8.351 8.351 7.603 0.748 18262 10764 1 18 . 1 1 39 39 ASP N N 39 122.097 122.097 119.583 2.514 18262 10765 1 18 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.338 0.098 18262 10766 1 18 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.690 0.090 18262 10767 1 18 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.779 -0.407 18262 10768 1 18 . 1 1 39 39 ASP H H 39 7.962 7.962 7.630 0.332 18262 10769 1 18 . 1 1 40 40 ASP N N 40 122.033 122.033 119.003 3.030 18262 10770 1 18 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.449 0.041 18262 10771 1 18 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.687 1.203 18262 10772 1 18 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.081 -0.821 18262 10773 1 18 . 1 1 40 40 ASP H H 40 8.052 8.052 7.595 0.457 18262 10774 1 18 . 1 1 41 41 MET N N 41 121.130 121.130 118.869 2.261 18262 10775 1 18 . 1 1 41 41 MET HA H 41 4.191 4.191 4.107 0.084 18262 10776 1 18 . 1 1 41 41 MET CA C 41 57.798 57.798 59.361 -1.562 18262 10777 1 18 . 1 1 41 41 MET CB C 41 31.529 31.529 32.520 -0.991 18262 10778 1 18 . 1 1 41 41 MET H H 41 8.708 8.708 8.174 0.534 18262 10779 1 18 . 1 1 42 42 SER N N 42 116.303 116.303 115.436 0.867 18262 10780 1 18 . 1 1 42 42 SER HA H 42 4.301 4.301 4.241 0.060 18262 10781 1 18 . 1 1 42 42 SER CA C 42 62.145 62.145 62.082 0.063 18262 10782 1 18 . 1 1 42 42 SER CB C 42 62.835 62.835 62.544 0.291 18262 10783 1 18 . 1 1 42 42 SER H H 42 8.364 8.364 8.016 0.348 18262 10784 1 18 . 1 1 43 43 THR N N 43 119.136 119.136 119.411 -0.275 18262 10785 1 18 . 1 1 43 43 THR HA H 43 4.051 4.051 4.089 -0.038 18262 10786 1 18 . 1 1 43 43 THR CA C 43 66.673 66.673 67.019 -0.346 18262 10787 1 18 . 1 1 43 43 THR CB C 43 68.635 68.635 68.636 -0.001 18262 10788 1 18 . 1 1 43 43 THR H H 43 7.944 7.944 7.386 0.558 18262 10789 1 18 . 1 1 44 44 ILE N N 44 122.789 122.789 121.567 1.222 18262 10790 1 18 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.698 0.250 18262 10791 1 18 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.547 -0.900 18262 10792 1 18 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.575 0.472 18262 10793 1 18 . 1 1 44 44 ILE H H 44 7.856 7.856 7.992 -0.136 18262 10794 1 18 . 1 1 45 45 ALA N N 45 124.903 124.903 118.964 5.939 18262 10795 1 18 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.115 0.019 18262 10796 1 18 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.462 1.617 18262 10797 1 18 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.272 0.706 18262 10798 1 18 . 1 1 45 45 ALA H H 45 8.868 8.868 8.108 0.760 18262 10799 1 18 . 1 1 46 46 GLN N N 46 116.435 116.435 117.236 -0.801 18262 10800 1 18 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.316 -0.252 18262 10801 1 18 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.889 1.085 18262 10802 1 18 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.632 -1.312 18262 10803 1 18 . 1 1 46 46 GLN H H 46 8.253 8.253 7.595 0.658 18262 10804 1 18 . 1 1 47 47 SER N N 47 116.211 116.211 116.585 -0.374 18262 10805 1 18 . 1 1 47 47 SER HA H 47 4.249 4.249 4.209 0.040 18262 10806 1 18 . 1 1 47 47 SER CA C 47 61.766 61.766 61.934 -0.168 18262 10807 1 18 . 1 1 47 47 SER CB C 47 62.874 62.874 63.142 -0.268 18262 10808 1 18 . 1 1 47 47 SER H H 47 8.242 8.242 8.584 -0.342 18262 10809 1 18 . 1 1 48 48 MET N N 48 122.179 122.179 121.898 0.281 18262 10810 1 18 . 1 1 48 48 MET HA H 48 4.109 4.109 4.137 -0.028 18262 10811 1 18 . 1 1 48 48 MET CA C 48 57.695 57.695 57.845 -0.150 18262 10812 1 18 . 1 1 48 48 MET CB C 48 31.370 31.370 32.202 -0.832 18262 10813 1 18 . 1 1 48 48 MET H H 48 8.198 8.198 8.020 0.178 18262 10814 1 18 . 1 1 49 49 VAL N N 49 118.918 118.918 118.427 0.491 18262 10815 1 18 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.692 -0.413 18262 10816 1 18 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.288 1.649 18262 10817 1 18 . 1 1 49 49 VAL CB C 49 31.553 31.553 30.868 0.685 18262 10818 1 18 . 1 1 49 49 VAL H H 49 7.791 7.791 8.035 -0.244 18262 10819 1 18 . 1 1 50 50 GLN N N 50 118.407 118.407 120.115 -1.708 18262 10820 1 18 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.975 0.117 18262 10821 1 18 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.047 0.079 18262 10822 1 18 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.419 0.784 18262 10823 1 18 . 1 1 50 50 GLN H H 50 8.206 8.206 8.636 -0.430 18262 10824 1 18 . 1 1 51 51 SER N N 51 117.680 117.680 117.175 0.505 18262 10825 1 18 . 1 1 51 51 SER HA H 51 4.209 4.209 4.150 0.059 18262 10826 1 18 . 1 1 51 51 SER CA C 51 62.766 62.766 62.310 0.456 18262 10827 1 18 . 1 1 51 51 SER CB C 51 63.014 63.014 62.736 0.278 18262 10828 1 18 . 1 1 51 51 SER H H 51 8.394 8.394 7.919 0.475 18262 10829 1 18 . 1 1 52 52 ILE N N 52 123.233 123.233 122.067 1.166 18262 10830 1 18 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.649 -0.086 18262 10831 1 18 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.939 -0.058 18262 10832 1 18 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.438 0.433 18262 10833 1 18 . 1 1 52 52 ILE H H 52 8.135 8.135 7.432 0.703 18262 10834 1 18 . 1 1 53 53 GLN N N 53 119.911 119.911 119.671 0.240 18262 10835 1 18 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.991 -0.066 18262 10836 1 18 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.755 0.816 18262 10837 1 18 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.057 -0.124 18262 10838 1 18 . 1 1 53 53 GLN H H 53 8.600 8.600 8.602 -0.002 18262 10839 1 18 . 1 1 54 54 SER N N 54 115.414 115.414 115.829 -0.415 18262 10840 1 18 . 1 1 54 54 SER HA H 54 4.308 4.308 4.252 0.056 18262 10841 1 18 . 1 1 54 54 SER CA C 54 61.468 61.468 61.457 0.011 18262 10842 1 18 . 1 1 54 54 SER CB C 54 62.950 62.950 63.115 -0.165 18262 10843 1 18 . 1 1 54 54 SER H H 54 8.304 8.304 8.030 0.274 18262 10844 1 18 . 1 1 55 55 LEU N N 55 121.576 121.576 122.905 -1.329 18262 10845 1 18 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.054 0.011 18262 10846 1 18 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.706 0.007 18262 10847 1 18 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.727 0.626 18262 10848 1 18 . 1 1 55 55 LEU H H 55 7.881 7.881 7.771 0.110 18262 10849 1 18 . 1 1 56 56 ALA N N 56 121.244 121.244 119.463 1.781 18262 10850 1 18 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.189 0.043 18262 10851 1 18 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.064 0.337 18262 10852 1 18 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.497 -0.235 18262 10853 1 18 . 1 1 56 56 ALA H H 56 8.007 8.007 8.286 -0.279 18262 10854 1 18 . 1 1 57 57 ALA N N 57 121.370 121.370 120.451 0.919 18262 10855 1 18 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.084 0.129 18262 10856 1 18 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.455 0.062 18262 10857 1 18 . 1 1 57 57 ALA CB C 57 18.540 18.540 18.412 0.128 18262 10858 1 18 . 1 1 57 57 ALA H H 57 8.026 8.026 7.684 0.342 18262 10859 1 18 . 1 1 58 58 GLN N N 58 114.464 114.464 117.013 -2.549 18262 10860 1 18 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.326 0.018 18262 10861 1 18 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.178 0.849 18262 10862 1 18 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.098 0.589 18262 10863 1 18 . 1 1 58 58 GLN H H 58 7.759 7.759 7.976 -0.217 18262 10864 1 18 . 1 1 59 59 GLY N N 59 108.318 108.318 108.923 -0.605 18262 10865 1 18 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.144 0.992 18262 10866 1 18 . 1 1 59 59 GLY H H 59 7.905 7.905 7.751 0.154 18262 10867 1 18 . 1 1 60 60 ARG N N 60 118.325 118.325 119.946 -1.621 18262 10868 1 18 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.724 -0.198 18262 10869 1 18 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.252 0.476 18262 10870 1 18 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.648 0.042 18262 10871 1 18 . 1 1 60 60 ARG H H 60 8.097 8.097 7.498 0.599 18262 10872 1 18 . 1 1 61 61 THR N N 61 116.640 116.640 119.388 -2.748 18262 10873 1 18 . 1 1 61 61 THR HA H 61 4.782 4.782 4.435 0.347 18262 10874 1 18 . 1 1 61 61 THR CA C 61 63.339 63.339 62.027 1.312 18262 10875 1 18 . 1 1 61 61 THR CB C 61 68.819 68.819 70.340 -1.521 18262 10876 1 18 . 1 1 61 61 THR H H 61 8.038 8.038 8.352 -0.314 18262 10877 1 18 . 1 1 62 62 SER N N 62 119.882 119.882 116.264 3.618 18262 10878 1 18 . 1 1 62 62 SER HA H 62 4.899 4.899 4.369 0.530 18262 10879 1 18 . 1 1 62 62 SER CA C 62 56.263 56.263 58.795 -2.532 18262 10880 1 18 . 1 1 62 62 SER CB C 62 63.827 63.827 62.367 1.460 18262 10881 1 18 . 1 1 62 62 SER H H 62 7.792 7.792 8.057 -0.265 18262 10882 1 18 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.293 0.006 18262 10883 1 18 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.303 0.513 18262 10884 1 18 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.851 0.366 18262 10885 1 18 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.440 0.107 18262 10886 1 18 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.729 -0.534 18262 10887 1 18 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.786 0.284 18262 10888 1 18 . 1 1 65 65 LYS N N 65 121.063 121.063 120.143 0.920 18262 10889 1 18 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.142 0.040 18262 10890 1 18 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.691 -0.140 18262 10891 1 18 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.025 0.682 18262 10892 1 18 . 1 1 65 65 LYS H H 65 7.762 7.762 7.837 -0.075 18262 10893 1 18 . 1 1 66 66 LEU N N 66 119.082 119.082 120.267 -1.185 18262 10894 1 18 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.304 -0.241 18262 10895 1 18 . 1 1 66 66 LEU CA C 66 57.998 57.998 58.079 -0.081 18262 10896 1 18 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.843 0.618 18262 10897 1 18 . 1 1 66 66 LEU H H 66 7.934 7.934 7.424 0.510 18262 10898 1 18 . 1 1 67 67 GLN N N 67 119.220 119.220 117.188 2.032 18262 10899 1 18 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.190 0.017 18262 10900 1 18 . 1 1 67 67 GLN CA C 67 59.087 59.087 57.978 1.109 18262 10901 1 18 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.316 -0.101 18262 10902 1 18 . 1 1 67 67 GLN H H 67 8.201 8.201 7.737 0.464 18262 10903 1 18 . 1 1 68 68 ALA N N 68 121.749 121.749 122.948 -1.199 18262 10904 1 18 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.182 -0.003 18262 10905 1 18 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.861 0.414 18262 10906 1 18 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.428 -0.323 18262 10907 1 18 . 1 1 68 68 ALA H H 68 7.739 7.739 7.847 -0.108 18262 10908 1 18 . 1 1 69 69 LEU N N 69 120.591 120.591 118.180 2.411 18262 10909 1 18 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.872 0.123 18262 10910 1 18 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.134 0.840 18262 10911 1 18 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.005 0.333 18262 10912 1 18 . 1 1 69 69 LEU H H 69 7.888 7.888 8.618 -0.730 18262 10913 1 18 . 1 1 70 70 ASN N N 70 119.586 119.586 117.403 2.183 18262 10914 1 18 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.094 -0.563 18262 10915 1 18 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.363 0.657 18262 10916 1 18 . 1 1 70 70 ASN CB C 70 38.848 38.848 39.078 -0.230 18262 10917 1 18 . 1 1 70 70 ASN H H 70 8.356 8.356 7.799 0.557 18262 10918 1 18 . 1 1 71 71 MET N N 71 117.354 117.354 115.918 1.436 18262 10919 1 18 . 1 1 71 71 MET HA H 71 4.271 4.271 4.646 -0.375 18262 10920 1 18 . 1 1 71 71 MET CA C 71 59.088 59.088 56.467 2.621 18262 10921 1 18 . 1 1 71 71 MET CB C 71 32.746 32.746 33.483 -0.737 18262 10922 1 18 . 1 1 71 71 MET H H 71 8.207 8.207 7.543 0.664 18262 10923 1 18 . 1 1 72 72 ALA N N 72 123.354 123.354 124.492 -1.138 18262 10924 1 18 . 1 1 72 72 ALA HA H 72 4.074 4.074 4.064 0.010 18262 10925 1 18 . 1 1 72 72 ALA CA C 72 55.127 55.127 54.736 0.391 18262 10926 1 18 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.845 -0.688 18262 10927 1 18 . 1 1 72 72 ALA H H 72 8.075 8.075 7.167 0.908 18262 10928 1 18 . 1 1 73 73 PHE N N 73 120.968 120.968 116.950 4.018 18262 10929 1 18 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.299 0.219 18262 10930 1 18 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.333 1.099 18262 10931 1 18 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.552 2.045 18262 10932 1 18 . 1 1 73 73 PHE H H 73 8.546 8.546 7.896 0.650 18262 10933 1 18 . 1 1 74 74 ALA N N 74 119.865 119.865 121.431 -1.566 18262 10934 1 18 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.582 0.159 18262 10935 1 18 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.320 1.074 18262 10936 1 18 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.552 2.857 18262 10937 1 18 . 1 1 74 74 ALA H H 74 8.593 8.593 7.813 0.780 18262 10938 1 18 . 1 1 75 75 SER N N 75 112.870 112.870 113.438 -0.568 18262 10939 1 18 . 1 1 75 75 SER HA H 75 3.581 3.581 3.985 -0.404 18262 10940 1 18 . 1 1 75 75 SER CA C 75 61.879 61.879 60.977 0.902 18262 10941 1 18 . 1 1 75 75 SER CB C 75 62.010 62.010 62.572 -0.562 18262 10942 1 18 . 1 1 75 75 SER H H 75 8.501 8.501 7.452 1.049 18262 10943 1 18 . 1 1 76 76 SER N N 76 118.492 118.492 117.924 0.568 18262 10944 1 18 . 1 1 76 76 SER HA H 76 4.301 4.301 4.189 0.112 18262 10945 1 18 . 1 1 76 76 SER CA C 76 62.748 62.748 61.960 0.788 18262 10946 1 18 . 1 1 76 76 SER CB C 76 63.013 63.013 62.993 0.020 18262 10947 1 18 . 1 1 76 76 SER H H 76 8.152 8.152 7.514 0.638 18262 10948 1 18 . 1 1 77 77 MET N N 77 120.358 120.358 120.640 -0.282 18262 10949 1 18 . 1 1 77 77 MET HA H 77 3.999 3.999 4.239 -0.240 18262 10950 1 18 . 1 1 77 77 MET CA C 77 60.024 60.024 58.964 1.060 18262 10951 1 18 . 1 1 77 77 MET CB C 77 34.657 34.657 32.485 2.172 18262 10952 1 18 . 1 1 77 77 MET H H 77 8.130 8.130 8.313 -0.183 18262 10953 1 18 . 1 1 78 78 ALA N N 78 121.547 121.547 123.516 -1.969 18262 10954 1 18 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.132 -0.206 18262 10955 1 18 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.313 0.283 18262 10956 1 18 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.976 2.424 18262 10957 1 18 . 1 1 78 78 ALA H H 78 8.534 8.534 7.901 0.633 18262 10958 1 18 . 1 1 79 79 GLU N N 79 116.654 116.654 117.852 -1.198 18262 10959 1 18 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.060 -0.080 18262 10960 1 18 . 1 1 79 79 GLU CA C 79 59.402 59.402 59.331 0.070 18262 10961 1 18 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.555 0.268 18262 10962 1 18 . 1 1 79 79 GLU H H 79 7.557 7.557 7.674 -0.117 18262 10963 1 18 . 1 1 80 80 ILE N N 80 118.293 118.293 121.093 -2.800 18262 10964 1 18 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.007 -0.049 18262 10965 1 18 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.851 -1.066 18262 10966 1 18 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.127 0.180 18262 10967 1 18 . 1 1 80 80 ILE H H 80 7.239 7.239 7.412 -0.173 18262 10968 1 18 . 1 1 81 81 ALA N N 81 121.511 121.511 122.471 -0.960 18262 10969 1 18 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.081 -0.121 18262 10970 1 18 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.442 0.296 18262 10971 1 18 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.663 -0.706 18262 10972 1 18 . 1 1 81 81 ALA H H 81 8.595 8.595 8.603 -0.008 18262 10973 1 18 . 1 1 82 82 ALA N N 82 116.183 116.183 117.186 -1.003 18262 10974 1 18 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.455 -0.167 18262 10975 1 18 . 1 1 82 82 ALA CA C 82 52.601 52.601 50.513 2.088 18262 10976 1 18 . 1 1 82 82 ALA CB C 82 19.394 19.394 19.002 0.392 18262 10977 1 18 . 1 1 82 82 ALA H H 82 8.001 8.001 7.889 0.112 18262 10978 1 18 . 1 1 83 83 SER N N 83 113.212 113.212 116.465 -3.253 18262 10979 1 18 . 1 1 83 83 SER HA H 83 4.319 4.319 4.346 -0.027 18262 10980 1 18 . 1 1 83 83 SER CA C 83 59.243 59.243 58.758 0.485 18262 10981 1 18 . 1 1 83 83 SER CB C 83 63.971 63.971 63.761 0.210 18262 10982 1 18 . 1 1 83 83 SER H H 83 7.391 7.391 7.415 -0.024 18262 10983 1 18 . 1 1 84 84 GLU N N 84 123.385 123.385 125.500 -2.115 18262 10984 1 18 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.207 0.224 18262 10985 1 18 . 1 1 84 84 GLU CA C 84 56.656 56.656 57.170 -0.514 18262 10986 1 18 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.418 1.158 18262 10987 1 18 . 1 1 84 84 GLU H H 84 8.421 8.421 8.762 -0.341 18262 10988 1 18 . 1 1 85 85 GLU N N 85 121.674 121.674 120.160 1.514 18262 10989 1 18 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.251 0.023 18262 10990 1 18 . 1 1 85 85 GLU CA C 85 57.127 57.127 57.379 -0.252 18262 10991 1 18 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.052 0.140 18262 10992 1 18 . 1 1 85 85 GLU H H 85 8.407 8.407 8.149 0.258 18262 10993 1 18 . 1 1 86 86 GLY N N 86 110.617 110.617 103.885 6.732 18262 10994 1 18 . 1 1 86 86 GLY CA C 86 45.724 45.724 44.775 0.949 18262 10995 1 18 . 1 1 86 86 GLY H H 86 8.564 8.564 7.514 1.050 18262 10996 1 18 . 1 1 87 87 GLY N N 87 108.562 108.562 107.847 0.715 18262 10997 1 18 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.658 0.808 18262 10998 1 18 . 1 1 87 87 GLY H H 87 8.257 8.257 8.583 -0.326 18262 10999 1 18 . 1 1 88 88 GLY N N 88 107.890 107.890 108.575 -0.685 18262 11000 1 18 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.104 -0.220 18262 11001 1 18 . 1 1 88 88 GLY H H 88 8.100 8.100 8.109 -0.009 18262 11002 1 18 . 1 1 89 89 SER N N 89 115.889 115.889 116.805 -0.916 18262 11003 1 18 . 1 1 89 89 SER HA H 89 4.594 4.594 4.379 0.215 18262 11004 1 18 . 1 1 89 89 SER CA C 89 57.382 57.382 57.842 -0.460 18262 11005 1 18 . 1 1 89 89 SER CB C 89 65.271 65.271 64.272 0.999 18262 11006 1 18 . 1 1 89 89 SER H H 89 8.474 8.474 8.111 0.362 18262 11007 1 18 . 1 1 90 90 LEU N N 90 124.688 124.688 120.026 4.662 18262 11008 1 18 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.638 -0.514 18262 11009 1 18 . 1 1 90 90 LEU CA C 90 58.560 58.560 55.446 3.114 18262 11010 1 18 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.326 0.092 18262 11011 1 18 . 1 1 90 90 LEU H H 90 8.867 8.867 8.551 0.316 18262 11012 1 18 . 1 1 91 91 SER N N 91 114.045 114.045 116.484 -2.439 18262 11013 1 18 . 1 1 91 91 SER CA C 91 61.331 61.331 62.652 -1.321 18262 11014 1 18 . 1 1 91 91 SER CB C 91 62.080 62.080 62.930 -0.850 18262 11015 1 18 . 1 1 91 91 SER H H 91 8.501 8.501 7.625 0.876 18262 11016 1 18 . 1 1 92 92 THR N N 92 121.036 121.036 116.489 4.547 18262 11017 1 18 . 1 1 92 92 THR HA H 92 4.006 4.006 4.019 -0.013 18262 11018 1 18 . 1 1 92 92 THR CA C 92 66.537 66.537 65.453 1.085 18262 11019 1 18 . 1 1 92 92 THR CB C 92 68.326 68.326 68.458 -0.132 18262 11020 1 18 . 1 1 92 92 THR H H 92 7.818 7.818 8.478 -0.660 18262 11021 1 18 . 1 1 93 93 LYS N N 93 120.426 120.426 122.021 -1.595 18262 11022 1 18 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.537 0.252 18262 11023 1 18 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.085 2.029 18262 11024 1 18 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.698 1.771 18262 11025 1 18 . 1 1 93 93 LYS H H 93 8.146 8.146 7.859 0.287 18262 11026 1 18 . 1 1 94 94 THR N N 94 111.775 111.775 112.310 -0.535 18262 11027 1 18 . 1 1 94 94 THR HA H 94 3.933 3.933 4.107 -0.174 18262 11028 1 18 . 1 1 94 94 THR CA C 94 67.228 67.228 66.085 1.143 18262 11029 1 18 . 1 1 94 94 THR CB C 94 68.083 68.083 68.373 -0.290 18262 11030 1 18 . 1 1 94 94 THR H H 94 8.881 8.881 8.365 0.516 18262 11031 1 18 . 1 1 95 95 SER N N 95 119.066 119.066 117.782 1.284 18262 11032 1 18 . 1 1 95 95 SER HA H 95 4.397 4.397 4.150 0.247 18262 11033 1 18 . 1 1 95 95 SER CA C 95 62.060 62.060 62.096 -0.036 18262 11034 1 18 . 1 1 95 95 SER CB C 95 62.693 62.693 62.910 -0.217 18262 11035 1 18 . 1 1 95 95 SER H H 95 8.134 8.134 7.796 0.338 18262 11036 1 18 . 1 1 96 96 SER N N 96 121.588 121.588 118.512 3.076 18262 11037 1 18 . 1 1 96 96 SER HA H 96 4.462 4.462 4.321 0.141 18262 11038 1 18 . 1 1 96 96 SER CA C 96 62.623 62.623 62.049 0.574 18262 11039 1 18 . 1 1 96 96 SER CB C 96 62.866 62.866 63.373 -0.507 18262 11040 1 18 . 1 1 96 96 SER H H 96 8.642 8.642 7.536 1.106 18262 11041 1 18 . 1 1 97 97 ILE N N 97 122.467 122.467 123.206 -0.739 18262 11042 1 18 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.763 0.034 18262 11043 1 18 . 1 1 97 97 ILE CA C 97 66.834 66.834 66.035 0.799 18262 11044 1 18 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.929 0.786 18262 11045 1 18 . 1 1 97 97 ILE H H 97 8.482 8.482 8.233 0.249 18262 11046 1 18 . 1 1 98 98 ALA N N 98 122.100 122.100 121.828 0.272 18262 11047 1 18 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.047 0.007 18262 11048 1 18 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.712 0.516 18262 11049 1 18 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.028 0.389 18262 11050 1 18 . 1 1 98 98 ALA H H 98 8.437 8.437 8.099 0.338 18262 11051 1 18 . 1 1 99 99 SER N N 99 115.737 115.737 115.637 0.100 18262 11052 1 18 . 1 1 99 99 SER HA H 99 4.366 4.366 4.230 0.136 18262 11053 1 18 . 1 1 99 99 SER CA C 99 62.029 62.029 62.078 -0.049 18262 11054 1 18 . 1 1 99 99 SER CB C 99 63.230 63.230 63.014 0.216 18262 11055 1 18 . 1 1 99 99 SER H H 99 8.658 8.658 7.786 0.872 18262 11056 1 18 . 1 1 100 100 ALA N N 100 124.292 124.292 124.810 -0.518 18262 11057 1 18 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.950 0.295 18262 11058 1 18 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.227 0.164 18262 11059 1 18 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.235 0.257 18262 11060 1 18 . 1 1 100 100 ALA H H 100 8.976 8.976 8.304 0.672 18262 11061 1 18 . 1 1 101 101 MET N N 101 119.143 119.143 117.688 1.455 18262 11062 1 18 . 1 1 101 101 MET HA H 101 4.054 4.054 4.268 -0.214 18262 11063 1 18 . 1 1 101 101 MET CA C 101 61.026 61.026 59.698 1.328 18262 11064 1 18 . 1 1 101 101 MET CB C 101 34.483 34.483 32.844 1.639 18262 11065 1 18 . 1 1 101 101 MET H H 101 9.063 9.063 8.026 1.037 18262 11066 1 18 . 1 1 102 102 SER N N 102 116.778 116.778 116.637 0.141 18262 11067 1 18 . 1 1 102 102 SER HA H 102 4.363 4.363 4.164 0.199 18262 11068 1 18 . 1 1 102 102 SER CA C 102 63.348 63.348 62.045 1.303 18262 11069 1 18 . 1 1 102 102 SER CB C 102 62.593 62.593 62.934 -0.341 18262 11070 1 18 . 1 1 102 102 SER H H 102 8.693 8.693 8.237 0.456 18262 11071 1 18 . 1 1 103 103 ASN N N 103 117.982 117.982 119.821 -1.839 18262 11072 1 18 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.598 -0.134 18262 11073 1 18 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.672 0.990 18262 11074 1 18 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.406 0.111 18262 11075 1 18 . 1 1 103 103 ASN H H 103 8.108 8.108 8.353 -0.245 18262 11076 1 18 . 1 1 104 104 ALA N N 104 122.272 122.272 122.850 -0.578 18262 11077 1 18 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.111 0.129 18262 11078 1 18 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.199 -0.356 18262 11079 1 18 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.416 -0.183 18262 11080 1 18 . 1 1 104 104 ALA H H 104 7.892 7.892 7.939 -0.047 18262 11081 1 18 . 1 1 105 105 PHE N N 105 119.096 119.096 119.576 -0.480 18262 11082 1 18 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.642 -0.242 18262 11083 1 18 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.526 4.317 18262 11084 1 18 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.264 0.223 18262 11085 1 18 . 1 1 105 105 PHE H H 105 8.580 8.580 8.688 -0.108 18262 11086 1 18 . 1 1 106 106 LEU N N 106 121.540 121.540 119.441 2.099 18262 11087 1 18 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.034 -0.298 18262 11088 1 18 . 1 1 106 106 LEU CA C 106 59.156 59.156 58.139 1.017 18262 11089 1 18 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.721 -0.387 18262 11090 1 18 . 1 1 106 106 LEU H H 106 8.226 8.226 7.581 0.645 18262 11091 1 18 . 1 1 107 107 GLN N N 107 114.603 114.603 115.678 -1.075 18262 11092 1 18 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.356 -0.166 18262 11093 1 18 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.220 0.198 18262 11094 1 18 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.139 1.352 18262 11095 1 18 . 1 1 107 107 GLN H H 107 8.132 8.132 7.988 0.144 18262 11096 1 18 . 1 1 108 108 THR N N 108 108.290 108.290 110.255 -1.965 18262 11097 1 18 . 1 1 108 108 THR HA H 108 4.518 4.518 4.492 0.026 18262 11098 1 18 . 1 1 108 108 THR CA C 108 62.483 62.483 63.247 -0.764 18262 11099 1 18 . 1 1 108 108 THR CB C 108 70.390 70.390 70.244 0.146 18262 11100 1 18 . 1 1 108 108 THR H H 108 7.726 7.726 7.475 0.251 18262 11101 1 18 . 1 1 109 109 THR N N 109 113.407 113.407 113.240 0.167 18262 11102 1 18 . 1 1 109 109 THR HA H 109 4.586 4.586 4.353 0.233 18262 11103 1 18 . 1 1 109 109 THR CA C 109 62.325 62.325 62.039 0.286 18262 11104 1 18 . 1 1 109 109 THR CB C 109 70.696 70.696 69.772 0.924 18262 11105 1 18 . 1 1 109 109 THR H H 109 8.907 8.907 7.764 1.143 18262 11106 1 18 . 1 1 110 110 GLY N N 110 109.267 109.267 110.449 -1.182 18262 11107 1 18 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.248 0.320 18262 11108 1 18 . 1 1 110 110 GLY H H 110 8.361 8.361 8.371 -0.010 18262 11109 1 18 . 1 1 111 111 VAL N N 111 119.375 119.375 120.842 -1.467 18262 11110 1 18 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.332 -0.077 18262 11111 1 18 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.771 0.111 18262 11112 1 18 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.983 1.454 18262 11113 1 18 . 1 1 111 111 VAL H H 111 7.784 7.784 7.598 0.186 18262 11114 1 18 . 1 1 112 112 VAL N N 112 125.327 125.327 124.474 0.853 18262 11115 1 18 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.530 -1.318 18262 11116 1 18 . 1 1 112 112 VAL CA C 112 64.479 64.479 61.562 2.917 18262 11117 1 18 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.301 -0.605 18262 11118 1 18 . 1 1 112 112 VAL H H 112 8.747 8.747 8.291 0.456 18262 11119 1 18 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.937 -0.435 18262 11120 1 18 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.718 -1.526 18262 11121 1 18 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.619 -1.497 18262 11122 1 18 . 1 1 114 114 GLN N N 114 124.067 124.067 128.218 -4.151 18262 11123 1 18 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.301 -0.364 18262 11124 1 18 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.562 -1.144 18262 11125 1 18 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.057 -0.510 18262 11126 1 18 . 1 1 114 114 GLN H H 114 8.394 8.394 8.328 0.066 18262 11127 1 18 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.230 0.020 18262 11128 1 18 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.840 0.832 18262 11129 1 18 . 1 1 115 115 PRO CB C 115 31.299 31.299 30.782 0.517 18262 11130 1 18 . 1 1 116 116 PHE N N 116 117.820 117.820 118.669 -0.849 18262 11131 1 18 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.204 -0.002 18262 11132 1 18 . 1 1 116 116 PHE CA C 116 61.331 61.331 60.827 0.504 18262 11133 1 18 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.761 0.757 18262 11134 1 18 . 1 1 116 116 PHE H H 116 7.268 7.268 7.919 -0.651 18262 11135 1 18 . 1 1 117 117 ILE N N 117 119.434 119.434 119.409 0.025 18262 11136 1 18 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.338 0.196 18262 11137 1 18 . 1 1 117 117 ILE CA C 117 65.747 65.747 64.930 0.817 18262 11138 1 18 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.555 0.640 18262 11139 1 18 . 1 1 117 117 ILE H H 117 7.641 7.641 7.772 -0.131 18262 11140 1 18 . 1 1 118 118 ASN N N 118 119.834 119.834 117.792 2.042 18262 11141 1 18 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.539 -0.226 18262 11142 1 18 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.463 0.238 18262 11143 1 18 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.012 -0.491 18262 11144 1 18 . 1 1 118 118 ASN H H 118 8.985 8.985 8.599 0.386 18262 11145 1 18 . 1 1 119 119 GLU N N 119 121.164 121.164 121.527 -0.363 18262 11146 1 18 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.559 -0.536 18262 11147 1 18 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.609 1.028 18262 11148 1 18 . 1 1 119 119 GLU CB C 119 29.716 29.716 30.036 -0.320 18262 11149 1 18 . 1 1 119 119 GLU H H 119 8.090 8.090 7.644 0.446 18262 11150 1 18 . 1 1 120 120 ILE N N 120 117.906 117.906 119.552 -1.646 18262 11151 1 18 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.678 0.076 18262 11152 1 18 . 1 1 120 120 ILE CA C 120 62.968 62.968 63.923 -0.955 18262 11153 1 18 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.773 -0.959 18262 11154 1 18 . 1 1 120 120 ILE H H 120 8.025 8.025 8.410 -0.385 18262 11155 1 18 . 1 1 121 121 THR N N 121 112.720 112.720 113.445 -0.725 18262 11156 1 18 . 1 1 121 121 THR HA H 121 3.767 3.767 3.946 -0.179 18262 11157 1 18 . 1 1 121 121 THR CA C 121 67.203 67.203 66.541 0.662 18262 11158 1 18 . 1 1 121 121 THR CB C 121 68.380 68.380 68.059 0.320 18262 11159 1 18 . 1 1 121 121 THR H H 121 8.665 8.665 8.152 0.513 18262 11160 1 18 . 1 1 122 122 GLN N N 122 123.165 123.165 121.732 1.433 18262 11161 1 18 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.047 0.041 18262 11162 1 18 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.980 0.282 18262 11163 1 18 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.597 -0.436 18262 11164 1 18 . 1 1 122 122 GLN H H 122 8.128 8.128 7.225 0.903 18262 11165 1 18 . 1 1 123 123 LEU N N 123 120.702 120.702 120.791 -0.089 18262 11166 1 18 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.620 0.303 18262 11167 1 18 . 1 1 123 123 LEU CA C 123 58.118 58.118 57.983 0.135 18262 11168 1 18 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.403 1.587 18262 11169 1 18 . 1 1 123 123 LEU H H 123 8.173 8.173 8.352 -0.179 18262 11170 1 18 . 1 1 124 124 VAL N N 124 118.840 118.840 118.143 0.697 18262 11171 1 18 . 1 1 124 124 VAL HA H 124 3.615 3.615 4.036 -0.421 18262 11172 1 18 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.074 1.250 18262 11173 1 18 . 1 1 124 124 VAL CB C 124 31.553 31.553 30.845 0.708 18262 11174 1 18 . 1 1 124 124 VAL H H 124 8.742 8.742 8.593 0.149 18262 11175 1 18 . 1 1 125 125 SER N N 125 112.613 112.613 115.119 -2.506 18262 11176 1 18 . 1 1 125 125 SER HA H 125 4.050 4.050 4.228 -0.178 18262 11177 1 18 . 1 1 125 125 SER CA C 125 62.568 62.568 61.759 0.809 18262 11178 1 18 . 1 1 125 125 SER CB C 125 62.960 62.960 63.074 -0.114 18262 11179 1 18 . 1 1 125 125 SER H H 125 7.883 7.883 7.313 0.570 18262 11180 1 18 . 1 1 126 126 MET N N 126 120.939 120.939 121.722 -0.783 18262 11181 1 18 . 1 1 126 126 MET HA H 126 4.052 4.052 4.138 -0.086 18262 11182 1 18 . 1 1 126 126 MET CA C 126 59.009 59.009 58.172 0.837 18262 11183 1 18 . 1 1 126 126 MET CB C 126 32.780 32.780 32.466 0.314 18262 11184 1 18 . 1 1 126 126 MET H H 126 8.091 8.091 8.261 -0.170 18262 11185 1 18 . 1 1 127 127 PHE N N 127 118.732 118.732 117.017 1.715 18262 11186 1 18 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.279 0.186 18262 11187 1 18 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.750 0.846 18262 11188 1 18 . 1 1 127 127 PHE CB C 127 38.911 38.911 38.313 0.598 18262 11189 1 18 . 1 1 127 127 PHE H H 127 8.755 8.755 8.389 0.366 18262 11190 1 18 . 1 1 128 128 ALA N N 128 121.647 121.647 120.510 1.137 18262 11191 1 18 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.073 0.144 18262 11192 1 18 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.337 0.167 18262 11193 1 18 . 1 1 128 128 ALA CB C 128 19.557 19.557 19.122 0.435 18262 11194 1 18 . 1 1 128 128 ALA H H 128 8.638 8.638 7.508 1.130 18262 11195 1 18 . 1 1 129 129 GLN N N 129 115.892 115.892 118.968 -3.076 18262 11196 1 18 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.153 0.070 18262 11197 1 18 . 1 1 129 129 GLN CA C 129 57.240 57.240 58.081 -0.841 18262 11198 1 18 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.516 0.861 18262 11199 1 18 . 1 1 129 129 GLN H H 129 7.789 7.789 8.100 -0.311 18262 11200 1 18 . 1 1 130 130 ALA N N 130 122.349 122.349 120.014 2.335 18262 11201 1 18 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.466 -0.195 18262 11202 1 18 . 1 1 130 130 ALA CA C 130 53.907 53.907 51.148 2.759 18262 11203 1 18 . 1 1 130 130 ALA CB C 130 18.985 18.985 18.887 0.098 18262 11204 1 18 . 1 1 130 130 ALA H H 130 7.791 7.791 7.648 0.143 18262 11205 1 18 . 1 1 131 131 GLY N N 131 106.497 106.497 108.779 -2.282 18262 11206 1 18 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.209 0.563 18262 11207 1 18 . 1 1 131 131 GLY H H 131 8.157 8.157 7.921 0.236 18262 11208 1 18 . 1 1 132 132 MET N N 132 119.229 119.229 115.877 3.352 18262 11209 1 18 . 1 1 132 132 MET HA H 132 4.473 4.473 4.654 -0.181 18262 11210 1 18 . 1 1 132 132 MET CA C 132 55.973 55.973 55.114 0.859 18262 11211 1 18 . 1 1 132 132 MET CB C 132 33.129 33.129 33.250 -0.121 18262 11212 1 18 . 1 1 132 132 MET H H 132 7.929 7.929 7.900 0.029 18262 11213 1 18 . 1 1 133 133 ASN N N 133 118.982 118.982 119.363 -0.381 18262 11214 1 18 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.833 -0.092 18262 11215 1 18 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.234 0.134 18262 11216 1 18 . 1 1 133 133 ASN CB C 133 39.349 39.349 41.439 -2.090 18262 11217 1 18 . 1 1 133 133 ASN H H 133 8.334 8.334 7.816 0.518 18262 11218 1 18 . 1 1 134 134 ASP N N 134 120.983 120.983 123.238 -2.255 18262 11219 1 18 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.561 0.082 18262 11220 1 18 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.915 0.592 18262 11221 1 18 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.972 0.311 18262 11222 1 18 . 1 1 134 134 ASP H H 134 8.282 8.282 8.552 -0.270 18262 11223 1 18 . 1 1 135 135 VAL N N 135 119.922 119.922 121.892 -1.970 18262 11224 1 18 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.024 0.173 18262 11225 1 18 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.480 -1.153 18262 11226 1 18 . 1 1 135 135 VAL CB C 135 32.714 32.714 31.094 1.620 18262 11227 1 18 . 1 1 135 135 VAL H H 135 8.080 8.080 7.724 0.356 18262 11228 1 18 . 1 1 136 136 SER N N 136 119.994 119.994 119.305 0.689 18262 11229 1 18 . 1 1 136 136 SER HA H 136 4.459 4.459 4.102 0.357 18262 11230 1 18 . 1 1 136 136 SER CA C 136 58.412 58.412 59.206 -0.795 18262 11231 1 18 . 1 1 136 136 SER CB C 136 64.068 64.068 62.264 1.804 18262 11232 1 18 . 1 1 136 136 SER H H 136 8.397 8.397 8.871 -0.474 18262 11233 1 19 . 1 1 3 3 GLY CA C 3 45.270 45.270 44.984 0.286 18262 11234 1 19 . 1 1 4 4 ASN N N 4 124.122 124.122 120.201 3.921 18262 11235 1 19 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.398 1.429 18262 11236 1 19 . 1 1 4 4 ASN H H 4 7.979 7.979 8.709 -0.730 18262 11237 1 19 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.794 -0.102 18262 11238 1 19 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.157 0.910 18262 11239 1 19 . 1 1 6 6 HIS CB C 6 31.102 31.102 31.006 0.096 18262 11240 1 19 . 1 1 7 7 THR N N 7 115.462 115.462 121.672 -6.210 18262 11241 1 19 . 1 1 7 7 THR HA H 7 4.312 4.312 4.262 0.050 18262 11242 1 19 . 1 1 7 7 THR CA C 7 62.316 62.316 62.598 -0.282 18262 11243 1 19 . 1 1 7 7 THR CB C 7 69.849 69.849 68.669 1.180 18262 11244 1 19 . 1 1 7 7 THR H H 7 8.132 8.132 8.370 -0.238 18262 11245 1 19 . 1 1 8 8 THR N N 8 115.752 115.752 120.785 -5.033 18262 11246 1 19 . 1 1 8 8 THR HA H 8 4.164 4.164 4.072 0.092 18262 11247 1 19 . 1 1 8 8 THR CA C 8 58.419 58.419 58.890 -0.471 18262 11248 1 19 . 1 1 8 8 THR CB C 8 69.385 69.385 68.589 0.796 18262 11249 1 19 . 1 1 8 8 THR H H 8 7.981 7.981 7.964 0.017 18262 11250 1 19 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.137 -0.185 18262 11251 1 19 . 1 1 9 9 PRO CA C 9 63.035 63.035 64.059 -1.024 18262 11252 1 19 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.462 0.197 18262 11253 1 19 . 1 1 10 10 TRP N N 10 111.703 111.703 113.954 -2.251 18262 11254 1 19 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.581 0.315 18262 11255 1 19 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.411 -1.942 18262 11256 1 19 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.752 2.494 18262 11257 1 19 . 1 1 10 10 TRP H H 10 6.710 6.710 6.836 -0.126 18262 11258 1 19 . 1 1 11 11 THR N N 11 106.459 106.459 109.440 -2.981 18262 11259 1 19 . 1 1 11 11 THR HA H 11 3.893 3.893 4.173 -0.280 18262 11260 1 19 . 1 1 11 11 THR CA C 11 64.050 64.050 64.313 -0.263 18262 11261 1 19 . 1 1 11 11 THR CB C 11 69.312 69.312 69.053 0.259 18262 11262 1 19 . 1 1 11 11 THR H H 11 7.197 7.197 7.671 -0.474 18262 11263 1 19 . 1 1 12 12 ASN N N 12 116.465 116.465 119.478 -3.013 18262 11264 1 19 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.091 0.017 18262 11265 1 19 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.368 0.957 18262 11266 1 19 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.342 0.287 18262 11267 1 19 . 1 1 12 12 ASN H H 12 7.285 7.285 7.391 -0.106 18262 11268 1 19 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.299 -0.100 18262 11269 1 19 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.686 -0.175 18262 11270 1 19 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.146 0.406 18262 11271 1 19 . 1 1 14 14 GLY N N 14 109.155 109.155 104.996 4.159 18262 11272 1 19 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.812 0.342 18262 11273 1 19 . 1 1 14 14 GLY H H 14 8.364 8.364 8.853 -0.489 18262 11274 1 19 . 1 1 15 15 LEU N N 15 124.654 124.654 123.367 1.287 18262 11275 1 19 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.209 0.128 18262 11276 1 19 . 1 1 15 15 LEU CA C 15 57.547 57.547 56.927 0.620 18262 11277 1 19 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.754 -0.084 18262 11278 1 19 . 1 1 15 15 LEU H H 15 7.910 7.910 7.396 0.514 18262 11279 1 19 . 1 1 16 16 ALA N N 16 121.271 121.271 121.825 -0.554 18262 11280 1 19 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.056 -0.052 18262 11281 1 19 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.644 0.786 18262 11282 1 19 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.203 1.250 18262 11283 1 19 . 1 1 16 16 ALA H H 16 8.440 8.440 8.662 -0.222 18262 11284 1 19 . 1 1 17 17 GLU N N 17 117.125 117.125 119.908 -2.783 18262 11285 1 19 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.003 -0.042 18262 11286 1 19 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.805 -0.192 18262 11287 1 19 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.765 0.237 18262 11288 1 19 . 1 1 17 17 GLU H H 17 7.971 7.971 8.115 -0.144 18262 11289 1 19 . 1 1 18 18 ASN N N 18 118.526 118.526 118.058 0.468 18262 11290 1 19 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.523 0.020 18262 11291 1 19 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.167 0.129 18262 11292 1 19 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.401 -0.079 18262 11293 1 19 . 1 1 18 18 ASN H H 18 8.071 8.071 8.024 0.047 18262 11294 1 19 . 1 1 19 19 PHE N N 19 122.197 122.197 123.168 -0.971 18262 11295 1 19 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.350 -0.475 18262 11296 1 19 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.545 0.755 18262 11297 1 19 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.262 0.237 18262 11298 1 19 . 1 1 19 19 PHE H H 19 9.658 9.658 8.556 1.102 18262 11299 1 19 . 1 1 20 20 MET N N 20 118.488 118.488 118.929 -0.441 18262 11300 1 19 . 1 1 20 20 MET HA H 20 4.432 4.432 3.888 0.544 18262 11301 1 19 . 1 1 20 20 MET CA C 20 57.732 57.732 57.841 -0.109 18262 11302 1 19 . 1 1 20 20 MET CB C 20 31.999 31.999 31.551 0.448 18262 11303 1 19 . 1 1 20 20 MET H H 20 8.874 8.874 8.687 0.187 18262 11304 1 19 . 1 1 21 21 ASN N N 21 118.434 118.434 119.589 -1.155 18262 11305 1 19 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.378 0.161 18262 11306 1 19 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.545 -0.277 18262 11307 1 19 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.407 -0.421 18262 11308 1 19 . 1 1 21 21 ASN H H 21 8.468 8.468 8.833 -0.365 18262 11309 1 19 . 1 1 22 22 SER N N 22 116.181 116.181 116.688 -0.507 18262 11310 1 19 . 1 1 22 22 SER HA H 22 4.193 4.193 4.144 0.049 18262 11311 1 19 . 1 1 22 22 SER CA C 22 62.195 62.195 61.812 0.383 18262 11312 1 19 . 1 1 22 22 SER CB C 22 62.997 62.997 63.106 -0.109 18262 11313 1 19 . 1 1 22 22 SER H H 22 7.936 7.936 7.866 0.070 18262 11314 1 19 . 1 1 23 23 PHE N N 23 125.045 125.045 124.191 0.854 18262 11315 1 19 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.170 -0.156 18262 11316 1 19 . 1 1 23 23 PHE CA C 23 60.463 60.463 61.023 -0.560 18262 11317 1 19 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.882 0.087 18262 11318 1 19 . 1 1 23 23 PHE H H 23 9.054 9.054 8.129 0.925 18262 11319 1 19 . 1 1 24 24 MET N N 24 117.336 117.336 117.475 -0.139 18262 11320 1 19 . 1 1 24 24 MET HA H 24 4.029 4.029 3.725 0.304 18262 11321 1 19 . 1 1 24 24 MET CA C 24 56.117 56.117 58.049 -1.932 18262 11322 1 19 . 1 1 24 24 MET CB C 24 30.378 30.378 31.446 -1.068 18262 11323 1 19 . 1 1 24 24 MET H H 24 8.314 8.314 8.531 -0.217 18262 11324 1 19 . 1 1 25 25 GLN N N 25 120.286 120.286 119.452 0.834 18262 11325 1 19 . 1 1 25 25 GLN HA H 25 3.982 3.982 3.931 0.051 18262 11326 1 19 . 1 1 25 25 GLN CA C 25 59.206 59.206 59.103 0.103 18262 11327 1 19 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.553 -0.249 18262 11328 1 19 . 1 1 25 25 GLN H H 25 8.044 8.044 8.454 -0.410 18262 11329 1 19 . 1 1 26 26 GLY N N 26 107.817 107.817 107.569 0.248 18262 11330 1 19 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.388 0.630 18262 11331 1 19 . 1 1 26 26 GLY H H 26 8.101 8.101 7.766 0.335 18262 11332 1 19 . 1 1 27 27 LEU N N 27 122.926 122.926 122.833 0.093 18262 11333 1 19 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.016 -0.230 18262 11334 1 19 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.778 0.616 18262 11335 1 19 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.253 0.855 18262 11336 1 19 . 1 1 27 27 LEU H H 27 8.391 8.391 8.299 0.092 18262 11337 1 19 . 1 1 28 28 SER N N 28 109.497 109.497 113.538 -4.041 18262 11338 1 19 . 1 1 28 28 SER HA H 28 4.150 4.150 4.225 -0.075 18262 11339 1 19 . 1 1 28 28 SER CA C 28 61.223 61.223 60.093 1.130 18262 11340 1 19 . 1 1 28 28 SER CB C 28 63.390 63.390 62.809 0.581 18262 11341 1 19 . 1 1 28 28 SER H H 28 7.519 7.519 8.038 -0.519 18262 11342 1 19 . 1 1 29 29 SER N N 29 114.590 114.590 115.551 -0.961 18262 11343 1 19 . 1 1 29 29 SER HA H 29 4.739 4.739 4.523 0.216 18262 11344 1 19 . 1 1 29 29 SER CA C 29 58.035 58.035 58.867 -0.832 18262 11345 1 19 . 1 1 29 29 SER CB C 29 64.626 64.626 64.033 0.593 18262 11346 1 19 . 1 1 29 29 SER H H 29 7.451 7.451 7.498 -0.047 18262 11347 1 19 . 1 1 30 30 MET N N 30 122.408 122.408 122.047 0.361 18262 11348 1 19 . 1 1 30 30 MET HA H 30 4.946 4.946 4.836 0.110 18262 11349 1 19 . 1 1 30 30 MET CA C 30 53.633 53.633 53.060 0.573 18262 11350 1 19 . 1 1 30 30 MET CB C 30 32.300 32.300 32.764 -0.464 18262 11351 1 19 . 1 1 30 30 MET H H 30 7.659 7.659 7.634 0.025 18262 11352 1 19 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.565 0.103 18262 11353 1 19 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.238 -0.288 18262 11354 1 19 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.742 0.070 18262 11355 1 19 . 1 1 32 32 GLY N N 32 106.245 106.245 107.903 -1.658 18262 11356 1 19 . 1 1 32 32 GLY CA C 32 45.791 45.791 44.619 1.172 18262 11357 1 19 . 1 1 32 32 GLY H H 32 8.407 8.407 8.481 -0.074 18262 11358 1 19 . 1 1 33 33 PHE N N 33 116.330 116.330 120.179 -3.849 18262 11359 1 19 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.907 0.250 18262 11360 1 19 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.187 -0.254 18262 11361 1 19 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.235 0.877 18262 11362 1 19 . 1 1 33 33 PHE H H 33 7.865 7.865 7.559 0.306 18262 11363 1 19 . 1 1 34 34 THR N N 34 113.680 113.680 113.824 -0.144 18262 11364 1 19 . 1 1 34 34 THR HA H 34 4.544 4.544 4.496 0.048 18262 11365 1 19 . 1 1 34 34 THR CA C 34 60.409 60.409 60.711 -0.302 18262 11366 1 19 . 1 1 34 34 THR CB C 34 70.714 70.714 72.165 -1.451 18262 11367 1 19 . 1 1 34 34 THR H H 34 8.895 8.895 8.003 0.892 18262 11368 1 19 . 1 1 35 35 ALA N N 35 123.074 123.074 126.202 -3.128 18262 11369 1 19 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.009 0.076 18262 11370 1 19 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.525 0.372 18262 11371 1 19 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.317 -0.149 18262 11372 1 19 . 1 1 35 35 ALA H H 35 8.880 8.880 8.722 0.158 18262 11373 1 19 . 1 1 36 36 SER N N 36 112.915 112.915 113.522 -0.607 18262 11374 1 19 . 1 1 36 36 SER HA H 36 4.273 4.273 4.133 0.140 18262 11375 1 19 . 1 1 36 36 SER CA C 36 61.473 61.473 61.520 -0.047 18262 11376 1 19 . 1 1 36 36 SER CB C 36 62.441 62.441 62.858 -0.416 18262 11377 1 19 . 1 1 36 36 SER H H 36 8.413 8.413 8.419 -0.006 18262 11378 1 19 . 1 1 37 37 GLN N N 37 121.627 121.627 120.906 0.721 18262 11379 1 19 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.224 0.052 18262 11380 1 19 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.506 0.202 18262 11381 1 19 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.736 0.457 18262 11382 1 19 . 1 1 37 37 GLN H H 37 7.639 7.639 7.698 -0.059 18262 11383 1 19 . 1 1 38 38 LEU N N 38 119.757 119.757 120.759 -1.002 18262 11384 1 19 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.834 -0.007 18262 11385 1 19 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.564 0.435 18262 11386 1 19 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.224 -0.198 18262 11387 1 19 . 1 1 38 38 LEU H H 38 8.351 8.351 8.200 0.151 18262 11388 1 19 . 1 1 39 39 ASP N N 39 122.097 122.097 120.217 1.880 18262 11389 1 19 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.257 0.179 18262 11390 1 19 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.694 -0.915 18262 11391 1 19 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.759 -0.387 18262 11392 1 19 . 1 1 39 39 ASP H H 39 7.962 7.962 7.977 -0.015 18262 11393 1 19 . 1 1 40 40 ASP N N 40 122.033 122.033 118.943 3.090 18262 11394 1 19 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.417 0.073 18262 11395 1 19 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.893 0.997 18262 11396 1 19 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.079 -0.819 18262 11397 1 19 . 1 1 40 40 ASP H H 40 8.052 8.052 7.504 0.548 18262 11398 1 19 . 1 1 41 41 MET N N 41 121.130 121.130 118.966 2.164 18262 11399 1 19 . 1 1 41 41 MET HA H 41 4.191 4.191 4.029 0.162 18262 11400 1 19 . 1 1 41 41 MET CA C 41 57.798 57.798 59.928 -2.130 18262 11401 1 19 . 1 1 41 41 MET CB C 41 31.529 31.529 32.463 -0.934 18262 11402 1 19 . 1 1 41 41 MET H H 41 8.708 8.708 8.015 0.693 18262 11403 1 19 . 1 1 42 42 SER N N 42 116.303 116.303 113.429 2.874 18262 11404 1 19 . 1 1 42 42 SER HA H 42 4.301 4.301 4.281 0.020 18262 11405 1 19 . 1 1 42 42 SER CA C 42 62.145 62.145 61.232 0.913 18262 11406 1 19 . 1 1 42 42 SER CB C 42 62.835 62.835 62.825 0.010 18262 11407 1 19 . 1 1 42 42 SER H H 42 8.364 8.364 8.332 0.032 18262 11408 1 19 . 1 1 43 43 THR N N 43 119.136 119.136 118.450 0.686 18262 11409 1 19 . 1 1 43 43 THR HA H 43 4.051 4.051 4.214 -0.163 18262 11410 1 19 . 1 1 43 43 THR CA C 43 66.673 66.673 65.119 1.554 18262 11411 1 19 . 1 1 43 43 THR CB C 43 68.635 68.635 69.433 -0.798 18262 11412 1 19 . 1 1 43 43 THR H H 43 7.944 7.944 7.548 0.396 18262 11413 1 19 . 1 1 44 44 ILE N N 44 122.789 122.789 123.121 -0.332 18262 11414 1 19 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.938 0.010 18262 11415 1 19 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.335 -0.688 18262 11416 1 19 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.555 0.492 18262 11417 1 19 . 1 1 44 44 ILE H H 44 7.856 7.856 8.406 -0.550 18262 11418 1 19 . 1 1 45 45 ALA N N 45 124.903 124.903 119.768 5.135 18262 11419 1 19 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.181 -0.047 18262 11420 1 19 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.451 1.628 18262 11421 1 19 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.487 0.491 18262 11422 1 19 . 1 1 45 45 ALA H H 45 8.868 8.868 8.181 0.687 18262 11423 1 19 . 1 1 46 46 GLN N N 46 116.435 116.435 115.641 0.794 18262 11424 1 19 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.352 -0.288 18262 11425 1 19 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.637 1.336 18262 11426 1 19 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.969 -1.649 18262 11427 1 19 . 1 1 46 46 GLN H H 46 8.253 8.253 7.937 0.316 18262 11428 1 19 . 1 1 47 47 SER N N 47 116.211 116.211 117.927 -1.716 18262 11429 1 19 . 1 1 47 47 SER HA H 47 4.249 4.249 4.300 -0.051 18262 11430 1 19 . 1 1 47 47 SER CA C 47 61.766 61.766 60.897 0.869 18262 11431 1 19 . 1 1 47 47 SER CB C 47 62.874 62.874 63.335 -0.461 18262 11432 1 19 . 1 1 47 47 SER H H 47 8.242 8.242 8.588 -0.346 18262 11433 1 19 . 1 1 48 48 MET N N 48 122.179 122.179 123.338 -1.159 18262 11434 1 19 . 1 1 48 48 MET HA H 48 4.109 4.109 4.154 -0.045 18262 11435 1 19 . 1 1 48 48 MET CA C 48 57.695 57.695 57.845 -0.150 18262 11436 1 19 . 1 1 48 48 MET CB C 48 31.370 31.370 32.066 -0.696 18262 11437 1 19 . 1 1 48 48 MET H H 48 8.198 8.198 7.857 0.341 18262 11438 1 19 . 1 1 49 49 VAL N N 49 118.918 118.918 119.369 -0.451 18262 11439 1 19 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.587 -0.308 18262 11440 1 19 . 1 1 49 49 VAL CA C 49 67.937 67.937 67.248 0.689 18262 11441 1 19 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.275 0.278 18262 11442 1 19 . 1 1 49 49 VAL H H 49 7.791 7.791 8.108 -0.317 18262 11443 1 19 . 1 1 50 50 GLN N N 50 118.407 118.407 119.382 -0.975 18262 11444 1 19 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.905 0.187 18262 11445 1 19 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.407 -0.281 18262 11446 1 19 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.299 -0.096 18262 11447 1 19 . 1 1 50 50 GLN H H 50 8.206 8.206 8.415 -0.209 18262 11448 1 19 . 1 1 51 51 SER N N 51 117.680 117.680 116.544 1.136 18262 11449 1 19 . 1 1 51 51 SER HA H 51 4.209 4.209 4.155 0.054 18262 11450 1 19 . 1 1 51 51 SER CA C 51 62.766 62.766 62.732 0.034 18262 11451 1 19 . 1 1 51 51 SER CB C 51 63.014 63.014 62.732 0.282 18262 11452 1 19 . 1 1 51 51 SER H H 51 8.394 8.394 8.030 0.364 18262 11453 1 19 . 1 1 52 52 ILE N N 52 123.233 123.233 122.452 0.781 18262 11454 1 19 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.638 -0.075 18262 11455 1 19 . 1 1 52 52 ILE CA C 52 64.881 64.881 65.348 -0.467 18262 11456 1 19 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.444 0.427 18262 11457 1 19 . 1 1 52 52 ILE H H 52 8.135 8.135 7.671 0.464 18262 11458 1 19 . 1 1 53 53 GLN N N 53 119.911 119.911 119.003 0.908 18262 11459 1 19 . 1 1 53 53 GLN HA H 53 3.925 3.925 4.095 -0.170 18262 11460 1 19 . 1 1 53 53 GLN CA C 53 59.571 59.571 58.648 0.923 18262 11461 1 19 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.147 -0.214 18262 11462 1 19 . 1 1 53 53 GLN H H 53 8.600 8.600 8.535 0.065 18262 11463 1 19 . 1 1 54 54 SER N N 54 115.414 115.414 114.428 0.986 18262 11464 1 19 . 1 1 54 54 SER HA H 54 4.308 4.308 4.459 -0.151 18262 11465 1 19 . 1 1 54 54 SER CA C 54 61.468 61.468 60.646 0.822 18262 11466 1 19 . 1 1 54 54 SER CB C 54 62.950 62.950 63.920 -0.970 18262 11467 1 19 . 1 1 54 54 SER H H 54 8.304 8.304 7.572 0.732 18262 11468 1 19 . 1 1 55 55 LEU N N 55 121.576 121.576 123.708 -2.132 18262 11469 1 19 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.095 -0.030 18262 11470 1 19 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.680 0.033 18262 11471 1 19 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.882 0.471 18262 11472 1 19 . 1 1 55 55 LEU H H 55 7.881 7.881 8.316 -0.435 18262 11473 1 19 . 1 1 56 56 ALA N N 56 121.244 121.244 117.742 3.502 18262 11474 1 19 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.345 -0.113 18262 11475 1 19 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.349 1.052 18262 11476 1 19 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.447 -0.185 18262 11477 1 19 . 1 1 56 56 ALA H H 56 8.007 8.007 8.118 -0.111 18262 11478 1 19 . 1 1 57 57 ALA N N 57 121.370 121.370 122.661 -1.291 18262 11479 1 19 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.301 -0.088 18262 11480 1 19 . 1 1 57 57 ALA CA C 57 54.516 54.516 53.586 0.930 18262 11481 1 19 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.961 -1.421 18262 11482 1 19 . 1 1 57 57 ALA H H 57 8.026 8.026 7.625 0.401 18262 11483 1 19 . 1 1 58 58 GLN N N 58 114.464 114.464 117.070 -2.606 18262 11484 1 19 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.646 -0.302 18262 11485 1 19 . 1 1 58 58 GLN CA C 58 56.027 56.027 54.944 1.083 18262 11486 1 19 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.214 0.473 18262 11487 1 19 . 1 1 58 58 GLN H H 58 7.759 7.759 8.247 -0.488 18262 11488 1 19 . 1 1 59 59 GLY N N 59 108.318 108.318 109.766 -1.448 18262 11489 1 19 . 1 1 59 59 GLY CA C 59 46.136 46.136 44.509 1.627 18262 11490 1 19 . 1 1 59 59 GLY H H 59 7.905 7.905 7.635 0.270 18262 11491 1 19 . 1 1 60 60 ARG N N 60 118.325 118.325 120.072 -1.747 18262 11492 1 19 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.599 -0.073 18262 11493 1 19 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.154 0.574 18262 11494 1 19 . 1 1 60 60 ARG CB C 60 31.690 31.690 30.421 1.269 18262 11495 1 19 . 1 1 60 60 ARG H H 60 8.097 8.097 8.387 -0.290 18262 11496 1 19 . 1 1 61 61 THR N N 61 116.640 116.640 120.524 -3.884 18262 11497 1 19 . 1 1 61 61 THR HA H 61 4.782 4.782 4.438 0.344 18262 11498 1 19 . 1 1 61 61 THR CA C 61 63.339 63.339 62.284 1.055 18262 11499 1 19 . 1 1 61 61 THR CB C 61 68.819 68.819 68.928 -0.109 18262 11500 1 19 . 1 1 61 61 THR H H 61 8.038 8.038 8.483 -0.445 18262 11501 1 19 . 1 1 62 62 SER N N 62 119.882 119.882 117.166 2.716 18262 11502 1 19 . 1 1 62 62 SER HA H 62 4.899 4.899 4.250 0.649 18262 11503 1 19 . 1 1 62 62 SER CA C 62 56.263 56.263 59.291 -3.029 18262 11504 1 19 . 1 1 62 62 SER CB C 62 63.827 63.827 61.230 2.597 18262 11505 1 19 . 1 1 62 62 SER H H 62 7.792 7.792 8.087 -0.295 18262 11506 1 19 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.205 0.094 18262 11507 1 19 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.761 0.055 18262 11508 1 19 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.809 0.408 18262 11509 1 19 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.514 0.033 18262 11510 1 19 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.282 -0.088 18262 11511 1 19 . 1 1 64 64 ASN CB C 64 38.070 38.070 38.220 -0.150 18262 11512 1 19 . 1 1 65 65 LYS N N 65 121.063 121.063 120.175 0.888 18262 11513 1 19 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.171 0.011 18262 11514 1 19 . 1 1 65 65 LYS CA C 65 58.552 58.552 57.928 0.624 18262 11515 1 19 . 1 1 65 65 LYS CB C 65 32.707 32.707 31.949 0.758 18262 11516 1 19 . 1 1 65 65 LYS H H 65 7.762 7.762 7.812 -0.050 18262 11517 1 19 . 1 1 66 66 LEU N N 66 119.082 119.082 119.593 -0.511 18262 11518 1 19 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.317 -0.254 18262 11519 1 19 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.741 0.257 18262 11520 1 19 . 1 1 66 66 LEU CB C 66 41.461 41.461 41.109 0.352 18262 11521 1 19 . 1 1 66 66 LEU H H 66 7.934 7.934 7.754 0.180 18262 11522 1 19 . 1 1 67 67 GLN N N 67 119.220 119.220 117.912 1.308 18262 11523 1 19 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.836 -0.629 18262 11524 1 19 . 1 1 67 67 GLN CA C 67 59.087 59.087 57.730 1.357 18262 11525 1 19 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.401 -0.186 18262 11526 1 19 . 1 1 67 67 GLN H H 67 8.201 8.201 7.737 0.464 18262 11527 1 19 . 1 1 68 68 ALA N N 68 121.749 121.749 122.896 -1.147 18262 11528 1 19 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.254 -0.075 18262 11529 1 19 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.672 0.603 18262 11530 1 19 . 1 1 68 68 ALA CB C 68 18.105 18.105 18.466 -0.361 18262 11531 1 19 . 1 1 68 68 ALA H H 68 7.739 7.739 7.497 0.242 18262 11532 1 19 . 1 1 69 69 LEU N N 69 120.591 120.591 118.360 2.231 18262 11533 1 19 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.851 0.144 18262 11534 1 19 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.688 0.286 18262 11535 1 19 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.577 -0.239 18262 11536 1 19 . 1 1 69 69 LEU H H 69 7.888 7.888 8.366 -0.478 18262 11537 1 19 . 1 1 70 70 ASN N N 70 119.586 119.586 116.754 2.832 18262 11538 1 19 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.230 -0.699 18262 11539 1 19 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.387 0.633 18262 11540 1 19 . 1 1 70 70 ASN CB C 70 38.848 38.848 39.341 -0.493 18262 11541 1 19 . 1 1 70 70 ASN H H 70 8.356 8.356 8.253 0.103 18262 11542 1 19 . 1 1 71 71 MET N N 71 117.354 117.354 115.345 2.009 18262 11543 1 19 . 1 1 71 71 MET HA H 71 4.271 4.271 4.838 -0.567 18262 11544 1 19 . 1 1 71 71 MET CA C 71 59.088 59.088 57.275 1.813 18262 11545 1 19 . 1 1 71 71 MET CB C 71 32.746 32.746 33.349 -0.603 18262 11546 1 19 . 1 1 71 71 MET H H 71 8.207 8.207 7.509 0.698 18262 11547 1 19 . 1 1 72 72 ALA N N 72 123.354 123.354 124.894 -1.540 18262 11548 1 19 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.894 0.180 18262 11549 1 19 . 1 1 72 72 ALA CA C 72 55.127 55.127 54.990 0.137 18262 11550 1 19 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.493 -0.336 18262 11551 1 19 . 1 1 72 72 ALA H H 72 8.075 8.075 7.572 0.503 18262 11552 1 19 . 1 1 73 73 PHE N N 73 120.968 120.968 116.956 4.012 18262 11553 1 19 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.288 0.230 18262 11554 1 19 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.504 0.928 18262 11555 1 19 . 1 1 73 73 PHE CB C 73 39.597 39.597 37.733 1.864 18262 11556 1 19 . 1 1 73 73 PHE H H 73 8.546 8.546 7.915 0.631 18262 11557 1 19 . 1 1 74 74 ALA N N 74 119.865 119.865 121.942 -2.077 18262 11558 1 19 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.595 0.146 18262 11559 1 19 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.735 0.659 18262 11560 1 19 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.467 2.942 18262 11561 1 19 . 1 1 74 74 ALA H H 74 8.593 8.593 7.794 0.799 18262 11562 1 19 . 1 1 75 75 SER N N 75 112.870 112.870 113.689 -0.819 18262 11563 1 19 . 1 1 75 75 SER HA H 75 3.581 3.581 4.080 -0.499 18262 11564 1 19 . 1 1 75 75 SER CA C 75 61.879 61.879 60.778 1.101 18262 11565 1 19 . 1 1 75 75 SER CB C 75 62.010 62.010 62.065 -0.055 18262 11566 1 19 . 1 1 75 75 SER H H 75 8.501 8.501 7.488 1.013 18262 11567 1 19 . 1 1 76 76 SER N N 76 118.492 118.492 118.221 0.271 18262 11568 1 19 . 1 1 76 76 SER HA H 76 4.301 4.301 4.277 0.024 18262 11569 1 19 . 1 1 76 76 SER CA C 76 62.748 62.748 61.661 1.087 18262 11570 1 19 . 1 1 76 76 SER CB C 76 63.013 63.013 63.178 -0.166 18262 11571 1 19 . 1 1 76 76 SER H H 76 8.152 8.152 7.499 0.653 18262 11572 1 19 . 1 1 77 77 MET N N 77 120.358 120.358 120.515 -0.157 18262 11573 1 19 . 1 1 77 77 MET HA H 77 3.999 3.999 4.258 -0.259 18262 11574 1 19 . 1 1 77 77 MET CA C 77 60.024 60.024 58.785 1.239 18262 11575 1 19 . 1 1 77 77 MET CB C 77 34.657 34.657 32.378 2.279 18262 11576 1 19 . 1 1 77 77 MET H H 77 8.130 8.130 8.147 -0.017 18262 11577 1 19 . 1 1 78 78 ALA N N 78 121.547 121.547 122.473 -0.926 18262 11578 1 19 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.056 -0.130 18262 11579 1 19 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.769 -0.173 18262 11580 1 19 . 1 1 78 78 ALA CB C 78 20.399 20.399 18.160 2.240 18262 11581 1 19 . 1 1 78 78 ALA H H 78 8.534 8.534 7.970 0.564 18262 11582 1 19 . 1 1 79 79 GLU N N 79 116.654 116.654 115.738 0.916 18262 11583 1 19 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.153 -0.173 18262 11584 1 19 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.219 1.183 18262 11585 1 19 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.459 0.364 18262 11586 1 19 . 1 1 79 79 GLU H H 79 7.557 7.557 8.139 -0.582 18262 11587 1 19 . 1 1 80 80 ILE N N 80 118.293 118.293 118.407 -0.114 18262 11588 1 19 . 1 1 80 80 ILE HA H 80 3.958 3.958 4.087 -0.129 18262 11589 1 19 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.133 0.652 18262 11590 1 19 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.440 -0.133 18262 11591 1 19 . 1 1 80 80 ILE H H 80 7.239 7.239 7.149 0.090 18262 11592 1 19 . 1 1 81 81 ALA N N 81 121.511 121.511 122.825 -1.314 18262 11593 1 19 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.124 -0.164 18262 11594 1 19 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.242 0.496 18262 11595 1 19 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.537 -0.580 18262 11596 1 19 . 1 1 81 81 ALA H H 81 8.595 8.595 8.566 0.029 18262 11597 1 19 . 1 1 82 82 ALA N N 82 116.183 116.183 118.700 -2.517 18262 11598 1 19 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.369 -0.081 18262 11599 1 19 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.662 0.939 18262 11600 1 19 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.229 1.165 18262 11601 1 19 . 1 1 82 82 ALA H H 82 8.001 8.001 7.749 0.252 18262 11602 1 19 . 1 1 83 83 SER N N 83 113.212 113.212 114.638 -1.426 18262 11603 1 19 . 1 1 83 83 SER HA H 83 4.319 4.319 4.346 -0.027 18262 11604 1 19 . 1 1 83 83 SER CA C 83 59.243 59.243 57.415 1.828 18262 11605 1 19 . 1 1 83 83 SER CB C 83 63.971 63.971 64.694 -0.723 18262 11606 1 19 . 1 1 83 83 SER H H 83 7.391 7.391 7.364 0.027 18262 11607 1 19 . 1 1 84 84 GLU N N 84 123.385 123.385 125.305 -1.920 18262 11608 1 19 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.083 0.348 18262 11609 1 19 . 1 1 84 84 GLU CA C 84 56.656 56.656 57.863 -1.207 18262 11610 1 19 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.967 0.609 18262 11611 1 19 . 1 1 84 84 GLU H H 84 8.421 8.421 8.841 -0.420 18262 11612 1 19 . 1 1 85 85 GLU N N 85 121.674 121.674 120.507 1.167 18262 11613 1 19 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.276 -0.002 18262 11614 1 19 . 1 1 85 85 GLU CA C 85 57.127 57.127 57.055 0.072 18262 11615 1 19 . 1 1 85 85 GLU CB C 85 30.191 30.191 29.680 0.511 18262 11616 1 19 . 1 1 85 85 GLU H H 85 8.407 8.407 7.457 0.950 18262 11617 1 19 . 1 1 86 86 GLY N N 86 110.617 110.617 110.529 0.088 18262 11618 1 19 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.133 0.591 18262 11619 1 19 . 1 1 86 86 GLY H H 86 8.564 8.564 8.831 -0.267 18262 11620 1 19 . 1 1 87 87 GLY N N 87 108.562 108.562 105.538 3.024 18262 11621 1 19 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.231 1.235 18262 11622 1 19 . 1 1 87 87 GLY H H 87 8.257 8.257 7.313 0.944 18262 11623 1 19 . 1 1 88 88 GLY N N 88 107.890 107.890 109.796 -1.906 18262 11624 1 19 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.975 -0.091 18262 11625 1 19 . 1 1 88 88 GLY H H 88 8.100 8.100 8.517 -0.417 18262 11626 1 19 . 1 1 89 89 SER N N 89 115.889 115.889 115.550 0.339 18262 11627 1 19 . 1 1 89 89 SER HA H 89 4.594 4.594 4.512 0.082 18262 11628 1 19 . 1 1 89 89 SER CA C 89 57.382 57.382 57.411 -0.029 18262 11629 1 19 . 1 1 89 89 SER CB C 89 65.271 65.271 65.222 0.049 18262 11630 1 19 . 1 1 89 89 SER H H 89 8.474 8.474 7.851 0.623 18262 11631 1 19 . 1 1 90 90 LEU N N 90 124.688 124.688 121.592 3.096 18262 11632 1 19 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.365 -0.241 18262 11633 1 19 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.059 2.501 18262 11634 1 19 . 1 1 90 90 LEU CB C 90 41.418 41.418 42.085 -0.667 18262 11635 1 19 . 1 1 90 90 LEU H H 90 8.867 8.867 8.752 0.115 18262 11636 1 19 . 1 1 91 91 SER N N 91 114.045 114.045 116.772 -2.727 18262 11637 1 19 . 1 1 91 91 SER CA C 91 61.331 61.331 62.231 -0.900 18262 11638 1 19 . 1 1 91 91 SER CB C 91 62.080 62.080 62.559 -0.479 18262 11639 1 19 . 1 1 91 91 SER H H 91 8.501 8.501 8.222 0.279 18262 11640 1 19 . 1 1 92 92 THR N N 92 121.036 121.036 116.893 4.143 18262 11641 1 19 . 1 1 92 92 THR HA H 92 4.006 4.006 4.036 -0.030 18262 11642 1 19 . 1 1 92 92 THR CA C 92 66.537 66.537 66.245 0.293 18262 11643 1 19 . 1 1 92 92 THR CB C 92 68.326 68.326 68.431 -0.105 18262 11644 1 19 . 1 1 92 92 THR H H 92 7.818 7.818 8.201 -0.383 18262 11645 1 19 . 1 1 93 93 LYS N N 93 120.426 120.426 122.104 -1.678 18262 11646 1 19 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.709 0.080 18262 11647 1 19 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.741 1.373 18262 11648 1 19 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.876 1.593 18262 11649 1 19 . 1 1 93 93 LYS H H 93 8.146 8.146 7.939 0.207 18262 11650 1 19 . 1 1 94 94 THR N N 94 111.775 111.775 112.893 -1.118 18262 11651 1 19 . 1 1 94 94 THR HA H 94 3.933 3.933 4.007 -0.074 18262 11652 1 19 . 1 1 94 94 THR CA C 94 67.228 67.228 66.254 0.974 18262 11653 1 19 . 1 1 94 94 THR CB C 94 68.083 68.083 68.495 -0.412 18262 11654 1 19 . 1 1 94 94 THR H H 94 8.881 8.881 8.472 0.409 18262 11655 1 19 . 1 1 95 95 SER N N 95 119.066 119.066 116.004 3.062 18262 11656 1 19 . 1 1 95 95 SER HA H 95 4.397 4.397 4.219 0.178 18262 11657 1 19 . 1 1 95 95 SER CA C 95 62.060 62.060 61.524 0.536 18262 11658 1 19 . 1 1 95 95 SER CB C 95 62.693 62.693 63.038 -0.345 18262 11659 1 19 . 1 1 95 95 SER H H 95 8.134 8.134 8.010 0.124 18262 11660 1 19 . 1 1 96 96 SER N N 96 121.588 121.588 118.328 3.260 18262 11661 1 19 . 1 1 96 96 SER HA H 96 4.462 4.462 4.387 0.075 18262 11662 1 19 . 1 1 96 96 SER CA C 96 62.623 62.623 61.586 1.038 18262 11663 1 19 . 1 1 96 96 SER CB C 96 62.866 62.866 63.298 -0.432 18262 11664 1 19 . 1 1 96 96 SER H H 96 8.642 8.642 7.642 1.000 18262 11665 1 19 . 1 1 97 97 ILE N N 97 122.467 122.467 124.189 -1.722 18262 11666 1 19 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.825 -0.028 18262 11667 1 19 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.727 1.107 18262 11668 1 19 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.644 1.071 18262 11669 1 19 . 1 1 97 97 ILE H H 97 8.482 8.482 8.523 -0.041 18262 11670 1 19 . 1 1 98 98 ALA N N 98 122.100 122.100 121.992 0.108 18262 11671 1 19 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.011 0.043 18262 11672 1 19 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.587 0.641 18262 11673 1 19 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.200 0.217 18262 11674 1 19 . 1 1 98 98 ALA H H 98 8.437 8.437 8.187 0.250 18262 11675 1 19 . 1 1 99 99 SER N N 99 115.737 115.737 115.077 0.660 18262 11676 1 19 . 1 1 99 99 SER HA H 99 4.366 4.366 4.349 0.017 18262 11677 1 19 . 1 1 99 99 SER CA C 99 62.029 62.029 60.933 1.096 18262 11678 1 19 . 1 1 99 99 SER CB C 99 63.230 63.230 62.813 0.417 18262 11679 1 19 . 1 1 99 99 SER H H 99 8.658 8.658 7.746 0.912 18262 11680 1 19 . 1 1 100 100 ALA N N 100 124.292 124.292 125.850 -1.558 18262 11681 1 19 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.986 0.259 18262 11682 1 19 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.356 0.035 18262 11683 1 19 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.203 0.289 18262 11684 1 19 . 1 1 100 100 ALA H H 100 8.976 8.976 8.744 0.232 18262 11685 1 19 . 1 1 101 101 MET N N 101 119.143 119.143 117.757 1.386 18262 11686 1 19 . 1 1 101 101 MET HA H 101 4.054 4.054 4.082 -0.028 18262 11687 1 19 . 1 1 101 101 MET CA C 101 61.026 61.026 59.776 1.250 18262 11688 1 19 . 1 1 101 101 MET CB C 101 34.483 34.483 32.794 1.689 18262 11689 1 19 . 1 1 101 101 MET H H 101 9.063 9.063 8.379 0.684 18262 11690 1 19 . 1 1 102 102 SER N N 102 116.778 116.778 116.098 0.680 18262 11691 1 19 . 1 1 102 102 SER HA H 102 4.363 4.363 4.211 0.152 18262 11692 1 19 . 1 1 102 102 SER CA C 102 63.348 63.348 62.802 0.546 18262 11693 1 19 . 1 1 102 102 SER CB C 102 62.593 62.593 62.836 -0.243 18262 11694 1 19 . 1 1 102 102 SER H H 102 8.693 8.693 8.100 0.593 18262 11695 1 19 . 1 1 103 103 ASN N N 103 117.982 117.982 119.554 -1.572 18262 11696 1 19 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.497 -0.033 18262 11697 1 19 . 1 1 103 103 ASN CA C 103 56.662 56.662 56.092 0.570 18262 11698 1 19 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.588 -0.071 18262 11699 1 19 . 1 1 103 103 ASN H H 103 8.108 8.108 8.509 -0.401 18262 11700 1 19 . 1 1 104 104 ALA N N 104 122.272 122.272 122.189 0.083 18262 11701 1 19 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.090 0.150 18262 11702 1 19 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.023 -0.180 18262 11703 1 19 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.409 -0.176 18262 11704 1 19 . 1 1 104 104 ALA H H 104 7.892 7.892 8.099 -0.207 18262 11705 1 19 . 1 1 105 105 PHE N N 105 119.096 119.096 119.152 -0.056 18262 11706 1 19 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.665 -0.265 18262 11707 1 19 . 1 1 105 105 PHE CA C 105 63.843 63.843 58.915 4.928 18262 11708 1 19 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.699 -0.212 18262 11709 1 19 . 1 1 105 105 PHE H H 105 8.580 8.580 8.630 -0.050 18262 11710 1 19 . 1 1 106 106 LEU N N 106 121.540 121.540 119.059 2.481 18262 11711 1 19 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.076 -0.340 18262 11712 1 19 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.596 1.560 18262 11713 1 19 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.699 -0.364 18262 11714 1 19 . 1 1 106 106 LEU H H 106 8.226 8.226 7.975 0.251 18262 11715 1 19 . 1 1 107 107 GLN N N 107 114.603 114.603 117.590 -2.987 18262 11716 1 19 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.226 -0.036 18262 11717 1 19 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.976 -0.558 18262 11718 1 19 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.678 0.813 18262 11719 1 19 . 1 1 107 107 GLN H H 107 8.132 8.132 7.880 0.252 18262 11720 1 19 . 1 1 108 108 THR N N 108 108.290 108.290 112.249 -3.959 18262 11721 1 19 . 1 1 108 108 THR HA H 108 4.518 4.518 4.380 0.139 18262 11722 1 19 . 1 1 108 108 THR CA C 108 62.483 62.483 64.216 -1.733 18262 11723 1 19 . 1 1 108 108 THR CB C 108 70.390 70.390 69.111 1.279 18262 11724 1 19 . 1 1 108 108 THR H H 108 7.726 7.726 7.645 0.081 18262 11725 1 19 . 1 1 109 109 THR N N 109 113.407 113.407 113.243 0.164 18262 11726 1 19 . 1 1 109 109 THR HA H 109 4.586 4.586 4.421 0.165 18262 11727 1 19 . 1 1 109 109 THR CA C 109 62.325 62.325 61.281 1.044 18262 11728 1 19 . 1 1 109 109 THR CB C 109 70.696 70.696 69.869 0.827 18262 11729 1 19 . 1 1 109 109 THR H H 109 8.907 8.907 7.559 1.348 18262 11730 1 19 . 1 1 110 110 GLY N N 110 109.267 109.267 110.291 -1.024 18262 11731 1 19 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.762 -0.194 18262 11732 1 19 . 1 1 110 110 GLY H H 110 8.361 8.361 7.849 0.512 18262 11733 1 19 . 1 1 111 111 VAL N N 111 119.375 119.375 120.023 -0.648 18262 11734 1 19 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.252 0.003 18262 11735 1 19 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.352 0.530 18262 11736 1 19 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.612 0.824 18262 11737 1 19 . 1 1 111 111 VAL H H 111 7.784 7.784 7.222 0.562 18262 11738 1 19 . 1 1 112 112 VAL N N 112 125.327 125.327 123.967 1.360 18262 11739 1 19 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.477 -1.265 18262 11740 1 19 . 1 1 112 112 VAL CA C 112 64.479 64.479 61.291 3.188 18262 11741 1 19 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.528 -0.832 18262 11742 1 19 . 1 1 112 112 VAL H H 112 8.747 8.747 8.290 0.457 18262 11743 1 19 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.841 -0.339 18262 11744 1 19 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.959 -1.766 18262 11745 1 19 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.613 -1.491 18262 11746 1 19 . 1 1 114 114 GLN N N 114 124.067 124.067 127.702 -3.635 18262 11747 1 19 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.284 -0.347 18262 11748 1 19 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.771 -1.353 18262 11749 1 19 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.158 -0.611 18262 11750 1 19 . 1 1 114 114 GLN H H 114 8.394 8.394 8.287 0.107 18262 11751 1 19 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.157 0.093 18262 11752 1 19 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.967 0.705 18262 11753 1 19 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.177 0.122 18262 11754 1 19 . 1 1 116 116 PHE N N 116 117.820 117.820 118.659 -0.839 18262 11755 1 19 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.059 0.143 18262 11756 1 19 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.622 -0.291 18262 11757 1 19 . 1 1 116 116 PHE CB C 116 39.519 39.519 38.949 0.570 18262 11758 1 19 . 1 1 116 116 PHE H H 116 7.268 7.268 8.034 -0.766 18262 11759 1 19 . 1 1 117 117 ILE N N 117 119.434 119.434 119.343 0.091 18262 11760 1 19 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.429 0.105 18262 11761 1 19 . 1 1 117 117 ILE CA C 117 65.747 65.747 64.673 1.074 18262 11762 1 19 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.457 0.738 18262 11763 1 19 . 1 1 117 117 ILE H H 117 7.641 7.641 7.885 -0.244 18262 11764 1 19 . 1 1 118 118 ASN N N 118 119.834 119.834 118.621 1.213 18262 11765 1 19 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.555 -0.242 18262 11766 1 19 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.800 -0.099 18262 11767 1 19 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.107 -0.586 18262 11768 1 19 . 1 1 118 118 ASN H H 118 8.985 8.985 8.643 0.342 18262 11769 1 19 . 1 1 119 119 GLU N N 119 121.164 121.164 121.527 -0.363 18262 11770 1 19 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.089 -0.066 18262 11771 1 19 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.069 0.568 18262 11772 1 19 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.768 -0.052 18262 11773 1 19 . 1 1 119 119 GLU H H 119 8.090 8.090 7.660 0.430 18262 11774 1 19 . 1 1 120 120 ILE N N 120 117.906 117.906 119.534 -1.628 18262 11775 1 19 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.594 0.160 18262 11776 1 19 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.170 -1.202 18262 11777 1 19 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.791 -0.978 18262 11778 1 19 . 1 1 120 120 ILE H H 120 8.025 8.025 8.354 -0.329 18262 11779 1 19 . 1 1 121 121 THR N N 121 112.720 112.720 112.617 0.103 18262 11780 1 19 . 1 1 121 121 THR HA H 121 3.767 3.767 3.827 -0.060 18262 11781 1 19 . 1 1 121 121 THR CA C 121 67.203 67.203 66.513 0.690 18262 11782 1 19 . 1 1 121 121 THR CB C 121 68.380 68.380 68.271 0.109 18262 11783 1 19 . 1 1 121 121 THR H H 121 8.665 8.665 7.880 0.785 18262 11784 1 19 . 1 1 122 122 GLN N N 122 123.165 123.165 122.149 1.016 18262 11785 1 19 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.071 0.017 18262 11786 1 19 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.678 0.584 18262 11787 1 19 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.605 -0.444 18262 11788 1 19 . 1 1 122 122 GLN H H 122 8.128 8.128 7.425 0.703 18262 11789 1 19 . 1 1 123 123 LEU N N 123 120.702 120.702 121.137 -0.435 18262 11790 1 19 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.615 0.308 18262 11791 1 19 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.138 -0.020 18262 11792 1 19 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.844 1.146 18262 11793 1 19 . 1 1 123 123 LEU H H 123 8.173 8.173 8.398 -0.225 18262 11794 1 19 . 1 1 124 124 VAL N N 124 118.840 118.840 118.832 0.008 18262 11795 1 19 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.844 -0.229 18262 11796 1 19 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.334 0.990 18262 11797 1 19 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.547 0.006 18262 11798 1 19 . 1 1 124 124 VAL H H 124 8.742 8.742 8.673 0.069 18262 11799 1 19 . 1 1 125 125 SER N N 125 112.613 112.613 114.919 -2.306 18262 11800 1 19 . 1 1 125 125 SER HA H 125 4.050 4.050 4.091 -0.041 18262 11801 1 19 . 1 1 125 125 SER CA C 125 62.568 62.568 61.956 0.612 18262 11802 1 19 . 1 1 125 125 SER CB C 125 62.960 62.960 63.010 -0.050 18262 11803 1 19 . 1 1 125 125 SER H H 125 7.883 7.883 7.521 0.362 18262 11804 1 19 . 1 1 126 126 MET N N 126 120.939 120.939 120.424 0.515 18262 11805 1 19 . 1 1 126 126 MET HA H 126 4.052 4.052 4.189 -0.137 18262 11806 1 19 . 1 1 126 126 MET CA C 126 59.009 59.009 56.735 2.274 18262 11807 1 19 . 1 1 126 126 MET CB C 126 32.780 32.780 31.835 0.944 18262 11808 1 19 . 1 1 126 126 MET H H 126 8.091 8.091 7.961 0.130 18262 11809 1 19 . 1 1 127 127 PHE N N 127 118.732 118.732 117.992 0.740 18262 11810 1 19 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.186 0.279 18262 11811 1 19 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.535 0.061 18262 11812 1 19 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.378 1.533 18262 11813 1 19 . 1 1 127 127 PHE H H 127 8.755 8.755 8.682 0.073 18262 11814 1 19 . 1 1 128 128 ALA N N 128 121.647 121.647 119.604 2.043 18262 11815 1 19 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.173 0.044 18262 11816 1 19 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.183 0.321 18262 11817 1 19 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.481 1.076 18262 11818 1 19 . 1 1 128 128 ALA H H 128 8.638 8.638 7.344 1.294 18262 11819 1 19 . 1 1 129 129 GLN N N 129 115.892 115.892 117.374 -1.482 18262 11820 1 19 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.232 -0.009 18262 11821 1 19 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.593 -0.353 18262 11822 1 19 . 1 1 129 129 GLN CB C 129 29.377 29.377 28.917 0.460 18262 11823 1 19 . 1 1 129 129 GLN H H 129 7.789 7.789 7.537 0.252 18262 11824 1 19 . 1 1 130 130 ALA N N 130 122.349 122.349 120.669 1.680 18262 11825 1 19 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.550 -0.279 18262 11826 1 19 . 1 1 130 130 ALA CA C 130 53.907 53.907 51.207 2.700 18262 11827 1 19 . 1 1 130 130 ALA CB C 130 18.985 18.985 19.141 -0.156 18262 11828 1 19 . 1 1 130 130 ALA H H 130 7.791 7.791 8.167 -0.376 18262 11829 1 19 . 1 1 131 131 GLY N N 131 106.497 106.497 107.933 -1.436 18262 11830 1 19 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.306 0.466 18262 11831 1 19 . 1 1 131 131 GLY H H 131 8.157 8.157 8.613 -0.456 18262 11832 1 19 . 1 1 132 132 MET N N 132 119.229 119.229 116.238 2.991 18262 11833 1 19 . 1 1 132 132 MET HA H 132 4.473 4.473 4.584 -0.111 18262 11834 1 19 . 1 1 132 132 MET CA C 132 55.973 55.973 55.831 0.142 18262 11835 1 19 . 1 1 132 132 MET CB C 132 33.129 33.129 34.001 -0.872 18262 11836 1 19 . 1 1 132 132 MET H H 132 7.929 7.929 7.939 -0.010 18262 11837 1 19 . 1 1 133 133 ASN N N 133 118.982 118.982 118.355 0.627 18262 11838 1 19 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.862 -0.121 18262 11839 1 19 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.194 0.174 18262 11840 1 19 . 1 1 133 133 ASN CB C 133 39.349 39.349 41.326 -1.977 18262 11841 1 19 . 1 1 133 133 ASN H H 133 8.334 8.334 7.759 0.575 18262 11842 1 19 . 1 1 134 134 ASP N N 134 120.983 120.983 123.452 -2.469 18262 11843 1 19 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.840 -0.197 18262 11844 1 19 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.941 -0.434 18262 11845 1 19 . 1 1 134 134 ASP CB C 134 41.283 41.283 39.816 1.467 18262 11846 1 19 . 1 1 134 134 ASP H H 134 8.282 8.282 8.725 -0.443 18262 11847 1 19 . 1 1 135 135 VAL N N 135 119.922 119.922 117.332 2.590 18262 11848 1 19 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.116 0.081 18262 11849 1 19 . 1 1 135 135 VAL CA C 135 62.327 62.327 64.666 -2.339 18262 11850 1 19 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.309 0.405 18262 11851 1 19 . 1 1 135 135 VAL H H 135 8.080 8.080 7.953 0.127 18262 11852 1 19 . 1 1 136 136 SER N N 136 119.994 119.994 114.715 5.279 18262 11853 1 19 . 1 1 136 136 SER HA H 136 4.459 4.459 4.616 -0.157 18262 11854 1 19 . 1 1 136 136 SER CA C 136 58.412 58.412 58.112 0.300 18262 11855 1 19 . 1 1 136 136 SER CB C 136 64.068 64.068 64.305 -0.237 18262 11856 1 19 . 1 1 136 136 SER H H 136 8.397 8.397 8.748 -0.351 18262 11857 1 20 . 1 1 3 3 GLY CA C 3 45.270 45.270 45.528 -0.258 18262 11858 1 20 . 1 1 4 4 ASN N N 4 124.122 124.122 118.915 5.207 18262 11859 1 20 . 1 1 4 4 ASN CA C 4 54.827 54.827 54.601 0.226 18262 11860 1 20 . 1 1 4 4 ASN H H 4 7.979 7.979 8.778 -0.799 18262 11861 1 20 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.941 -0.249 18262 11862 1 20 . 1 1 6 6 HIS CA C 6 56.068 56.068 54.657 1.411 18262 11863 1 20 . 1 1 6 6 HIS CB C 6 31.102 31.102 30.638 0.464 18262 11864 1 20 . 1 1 7 7 THR N N 7 115.462 115.462 120.268 -4.806 18262 11865 1 20 . 1 1 7 7 THR HA H 7 4.312 4.312 4.214 0.098 18262 11866 1 20 . 1 1 7 7 THR CA C 7 62.316 62.316 62.967 -0.651 18262 11867 1 20 . 1 1 7 7 THR CB C 7 69.849 69.849 69.492 0.357 18262 11868 1 20 . 1 1 7 7 THR H H 7 8.132 8.132 8.501 -0.369 18262 11869 1 20 . 1 1 8 8 THR N N 8 115.752 115.752 117.268 -1.516 18262 11870 1 20 . 1 1 8 8 THR HA H 8 4.164 4.164 4.213 -0.049 18262 11871 1 20 . 1 1 8 8 THR CA C 8 58.419 58.419 57.520 0.899 18262 11872 1 20 . 1 1 8 8 THR CB C 8 69.385 69.385 69.749 -0.364 18262 11873 1 20 . 1 1 8 8 THR H H 8 7.981 7.981 7.652 0.329 18262 11874 1 20 . 1 1 9 9 PRO HA H 9 3.952 3.952 4.045 -0.093 18262 11875 1 20 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.412 -0.377 18262 11876 1 20 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.323 0.337 18262 11877 1 20 . 1 1 10 10 TRP N N 10 111.703 111.703 116.814 -5.111 18262 11878 1 20 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.758 0.138 18262 11879 1 20 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.033 -1.564 18262 11880 1 20 . 1 1 10 10 TRP CB C 10 31.246 31.246 29.175 2.071 18262 11881 1 20 . 1 1 10 10 TRP H H 10 6.710 6.710 7.259 -0.549 18262 11882 1 20 . 1 1 11 11 THR N N 11 106.459 106.459 112.187 -5.728 18262 11883 1 20 . 1 1 11 11 THR HA H 11 3.893 3.893 4.218 -0.325 18262 11884 1 20 . 1 1 11 11 THR CA C 11 64.050 64.050 63.774 0.276 18262 11885 1 20 . 1 1 11 11 THR CB C 11 69.312 69.312 68.882 0.430 18262 11886 1 20 . 1 1 11 11 THR H H 11 7.197 7.197 7.569 -0.372 18262 11887 1 20 . 1 1 12 12 ASN N N 12 116.465 116.465 119.895 -3.430 18262 11888 1 20 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.179 -0.071 18262 11889 1 20 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.373 0.952 18262 11890 1 20 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.737 -0.108 18262 11891 1 20 . 1 1 12 12 ASN H H 12 7.285 7.285 7.517 -0.232 18262 11892 1 20 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.468 -0.269 18262 11893 1 20 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.359 0.152 18262 11894 1 20 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.263 0.289 18262 11895 1 20 . 1 1 14 14 GLY N N 14 109.155 109.155 106.755 2.400 18262 11896 1 20 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.778 0.376 18262 11897 1 20 . 1 1 14 14 GLY H H 14 8.364 8.364 8.822 -0.458 18262 11898 1 20 . 1 1 15 15 LEU N N 15 124.654 124.654 123.537 1.117 18262 11899 1 20 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.177 0.160 18262 11900 1 20 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.237 0.310 18262 11901 1 20 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.685 -0.015 18262 11902 1 20 . 1 1 15 15 LEU H H 15 7.910 7.910 7.814 0.096 18262 11903 1 20 . 1 1 16 16 ALA N N 16 121.271 121.271 122.124 -0.853 18262 11904 1 20 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.092 -0.088 18262 11905 1 20 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.399 1.031 18262 11906 1 20 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.320 1.133 18262 11907 1 20 . 1 1 16 16 ALA H H 16 8.440 8.440 8.685 -0.245 18262 11908 1 20 . 1 1 17 17 GLU N N 17 117.125 117.125 120.058 -2.933 18262 11909 1 20 . 1 1 17 17 GLU HA H 17 3.961 3.961 4.001 -0.040 18262 11910 1 20 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.895 -0.282 18262 11911 1 20 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.741 0.261 18262 11912 1 20 . 1 1 17 17 GLU H H 17 7.971 7.971 8.313 -0.342 18262 11913 1 20 . 1 1 18 18 ASN N N 18 118.526 118.526 118.221 0.305 18262 11914 1 20 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.511 0.032 18262 11915 1 20 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.941 -0.645 18262 11916 1 20 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.702 -0.380 18262 11917 1 20 . 1 1 18 18 ASN H H 18 8.071 8.071 8.250 -0.179 18262 11918 1 20 . 1 1 19 19 PHE N N 19 122.197 122.197 122.932 -0.735 18262 11919 1 20 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.321 -0.446 18262 11920 1 20 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.676 0.624 18262 11921 1 20 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.169 0.330 18262 11922 1 20 . 1 1 19 19 PHE H H 19 9.658 9.658 8.797 0.861 18262 11923 1 20 . 1 1 20 20 MET N N 20 118.488 118.488 118.463 0.025 18262 11924 1 20 . 1 1 20 20 MET HA H 20 4.432 4.432 3.770 0.662 18262 11925 1 20 . 1 1 20 20 MET CA C 20 57.732 57.732 57.789 -0.057 18262 11926 1 20 . 1 1 20 20 MET CB C 20 31.999 31.999 31.326 0.673 18262 11927 1 20 . 1 1 20 20 MET H H 20 8.874 8.874 8.897 -0.023 18262 11928 1 20 . 1 1 21 21 ASN N N 21 118.434 118.434 118.704 -0.270 18262 11929 1 20 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.420 0.119 18262 11930 1 20 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.992 -0.724 18262 11931 1 20 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.673 -0.687 18262 11932 1 20 . 1 1 21 21 ASN H H 21 8.468 8.468 8.495 -0.027 18262 11933 1 20 . 1 1 22 22 SER N N 22 116.181 116.181 115.909 0.272 18262 11934 1 20 . 1 1 22 22 SER HA H 22 4.193 4.193 4.178 0.015 18262 11935 1 20 . 1 1 22 22 SER CA C 22 62.195 62.195 61.898 0.297 18262 11936 1 20 . 1 1 22 22 SER CB C 22 62.997 62.997 63.142 -0.145 18262 11937 1 20 . 1 1 22 22 SER H H 22 7.936 7.936 7.904 0.032 18262 11938 1 20 . 1 1 23 23 PHE N N 23 125.045 125.045 124.725 0.320 18262 11939 1 20 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.114 -0.100 18262 11940 1 20 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.641 -0.178 18262 11941 1 20 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.967 0.002 18262 11942 1 20 . 1 1 23 23 PHE H H 23 9.054 9.054 8.364 0.690 18262 11943 1 20 . 1 1 24 24 MET N N 24 117.336 117.336 119.633 -2.297 18262 11944 1 20 . 1 1 24 24 MET HA H 24 4.029 4.029 3.634 0.395 18262 11945 1 20 . 1 1 24 24 MET CA C 24 56.117 56.117 58.053 -1.936 18262 11946 1 20 . 1 1 24 24 MET CB C 24 30.378 30.378 31.937 -1.559 18262 11947 1 20 . 1 1 24 24 MET H H 24 8.314 8.314 8.687 -0.373 18262 11948 1 20 . 1 1 25 25 GLN N N 25 120.286 120.286 117.401 2.885 18262 11949 1 20 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.002 -0.020 18262 11950 1 20 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.568 0.638 18262 11951 1 20 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.144 0.160 18262 11952 1 20 . 1 1 25 25 GLN H H 25 8.044 8.044 8.619 -0.575 18262 11953 1 20 . 1 1 26 26 GLY N N 26 107.817 107.817 106.999 0.818 18262 11954 1 20 . 1 1 26 26 GLY CA C 26 47.018 47.018 45.726 1.292 18262 11955 1 20 . 1 1 26 26 GLY H H 26 8.101 8.101 7.825 0.276 18262 11956 1 20 . 1 1 27 27 LEU N N 27 122.926 122.926 123.536 -0.610 18262 11957 1 20 . 1 1 27 27 LEU HA H 27 3.786 3.786 3.924 -0.138 18262 11958 1 20 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.712 0.683 18262 11959 1 20 . 1 1 27 27 LEU CB C 27 42.108 42.108 40.476 1.632 18262 11960 1 20 . 1 1 27 27 LEU H H 27 8.391 8.391 8.411 -0.020 18262 11961 1 20 . 1 1 28 28 SER N N 28 109.497 109.497 114.013 -4.516 18262 11962 1 20 . 1 1 28 28 SER HA H 28 4.150 4.150 4.281 -0.131 18262 11963 1 20 . 1 1 28 28 SER CA C 28 61.223 61.223 60.034 1.189 18262 11964 1 20 . 1 1 28 28 SER CB C 28 63.390 63.390 62.359 1.031 18262 11965 1 20 . 1 1 28 28 SER H H 28 7.519 7.519 8.215 -0.696 18262 11966 1 20 . 1 1 29 29 SER N N 29 114.590 114.590 114.685 -0.095 18262 11967 1 20 . 1 1 29 29 SER HA H 29 4.739 4.739 4.564 0.174 18262 11968 1 20 . 1 1 29 29 SER CA C 29 58.035 58.035 57.921 0.114 18262 11969 1 20 . 1 1 29 29 SER CB C 29 64.626 64.626 63.936 0.690 18262 11970 1 20 . 1 1 29 29 SER H H 29 7.451 7.451 7.667 -0.216 18262 11971 1 20 . 1 1 30 30 MET N N 30 122.408 122.408 124.057 -1.649 18262 11972 1 20 . 1 1 30 30 MET HA H 30 4.946 4.946 4.866 0.080 18262 11973 1 20 . 1 1 30 30 MET CA C 30 53.633 53.633 52.299 1.334 18262 11974 1 20 . 1 1 30 30 MET CB C 30 32.300 32.300 31.204 1.096 18262 11975 1 20 . 1 1 30 30 MET H H 30 7.659 7.659 7.582 0.077 18262 11976 1 20 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.543 0.125 18262 11977 1 20 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.125 -0.175 18262 11978 1 20 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.840 -0.028 18262 11979 1 20 . 1 1 32 32 GLY N N 32 106.245 106.245 105.775 0.470 18262 11980 1 20 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.630 0.161 18262 11981 1 20 . 1 1 32 32 GLY H H 32 8.407 8.407 8.692 -0.285 18262 11982 1 20 . 1 1 33 33 PHE N N 33 116.330 116.330 120.528 -4.198 18262 11983 1 20 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.734 0.423 18262 11984 1 20 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.427 -0.494 18262 11985 1 20 . 1 1 33 33 PHE CB C 33 42.112 42.112 40.731 1.381 18262 11986 1 20 . 1 1 33 33 PHE H H 33 7.865 7.865 7.504 0.361 18262 11987 1 20 . 1 1 34 34 THR N N 34 113.680 113.680 113.767 -0.087 18262 11988 1 20 . 1 1 34 34 THR HA H 34 4.544 4.544 4.568 -0.024 18262 11989 1 20 . 1 1 34 34 THR CA C 34 60.409 60.409 60.715 -0.306 18262 11990 1 20 . 1 1 34 34 THR CB C 34 70.714 70.714 71.801 -1.087 18262 11991 1 20 . 1 1 34 34 THR H H 34 8.895 8.895 8.155 0.740 18262 11992 1 20 . 1 1 35 35 ALA N N 35 123.074 123.074 124.466 -1.392 18262 11993 1 20 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.084 0.001 18262 11994 1 20 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.203 0.694 18262 11995 1 20 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.613 -0.445 18262 11996 1 20 . 1 1 35 35 ALA H H 35 8.880 8.880 8.623 0.257 18262 11997 1 20 . 1 1 36 36 SER N N 36 112.915 112.915 114.316 -1.401 18262 11998 1 20 . 1 1 36 36 SER HA H 36 4.273 4.273 4.142 0.131 18262 11999 1 20 . 1 1 36 36 SER CA C 36 61.473 61.473 61.189 0.284 18262 12000 1 20 . 1 1 36 36 SER CB C 36 62.441 62.441 62.822 -0.380 18262 12001 1 20 . 1 1 36 36 SER H H 36 8.413 8.413 8.054 0.359 18262 12002 1 20 . 1 1 37 37 GLN N N 37 121.627 121.627 121.307 0.320 18262 12003 1 20 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.081 0.195 18262 12004 1 20 . 1 1 37 37 GLN CA C 37 58.708 58.708 59.003 -0.295 18262 12005 1 20 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.931 0.262 18262 12006 1 20 . 1 1 37 37 GLN H H 37 7.639 7.639 8.520 -0.881 18262 12007 1 20 . 1 1 38 38 LEU N N 38 119.757 119.757 117.926 1.831 18262 12008 1 20 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.957 -0.130 18262 12009 1 20 . 1 1 38 38 LEU CA C 38 57.999 57.999 56.841 1.158 18262 12010 1 20 . 1 1 38 38 LEU CB C 38 41.026 41.026 41.374 -0.348 18262 12011 1 20 . 1 1 38 38 LEU H H 38 8.351 8.351 7.883 0.468 18262 12012 1 20 . 1 1 39 39 ASP N N 39 122.097 122.097 119.829 2.268 18262 12013 1 20 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.353 0.083 18262 12014 1 20 . 1 1 39 39 ASP CA C 39 57.780 57.780 57.946 -0.166 18262 12015 1 20 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.891 -0.518 18262 12016 1 20 . 1 1 39 39 ASP H H 39 7.962 7.962 7.892 0.070 18262 12017 1 20 . 1 1 40 40 ASP N N 40 122.033 122.033 119.048 2.985 18262 12018 1 20 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.462 0.028 18262 12019 1 20 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.656 1.234 18262 12020 1 20 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.026 -0.766 18262 12021 1 20 . 1 1 40 40 ASP H H 40 8.052 8.052 7.589 0.463 18262 12022 1 20 . 1 1 41 41 MET N N 41 121.130 121.130 119.027 2.103 18262 12023 1 20 . 1 1 41 41 MET HA H 41 4.191 4.191 4.168 0.023 18262 12024 1 20 . 1 1 41 41 MET CA C 41 57.798 57.798 59.416 -1.618 18262 12025 1 20 . 1 1 41 41 MET CB C 41 31.529 31.529 32.519 -0.990 18262 12026 1 20 . 1 1 41 41 MET H H 41 8.708 8.708 7.946 0.762 18262 12027 1 20 . 1 1 42 42 SER N N 42 116.303 116.303 113.221 3.082 18262 12028 1 20 . 1 1 42 42 SER HA H 42 4.301 4.301 4.259 0.042 18262 12029 1 20 . 1 1 42 42 SER CA C 42 62.145 62.145 61.389 0.756 18262 12030 1 20 . 1 1 42 42 SER CB C 42 62.835 62.835 62.996 -0.161 18262 12031 1 20 . 1 1 42 42 SER H H 42 8.364 8.364 7.978 0.386 18262 12032 1 20 . 1 1 43 43 THR N N 43 119.136 119.136 117.578 1.558 18262 12033 1 20 . 1 1 43 43 THR HA H 43 4.051 4.051 4.207 -0.156 18262 12034 1 20 . 1 1 43 43 THR CA C 43 66.673 66.673 66.297 0.376 18262 12035 1 20 . 1 1 43 43 THR CB C 43 68.635 68.635 69.089 -0.454 18262 12036 1 20 . 1 1 43 43 THR H H 43 7.944 7.944 7.329 0.615 18262 12037 1 20 . 1 1 44 44 ILE N N 44 122.789 122.789 122.232 0.557 18262 12038 1 20 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.651 0.297 18262 12039 1 20 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.777 -1.130 18262 12040 1 20 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.554 0.493 18262 12041 1 20 . 1 1 44 44 ILE H H 44 7.856 7.856 7.966 -0.110 18262 12042 1 20 . 1 1 45 45 ALA N N 45 124.903 124.903 119.076 5.827 18262 12043 1 20 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.168 -0.034 18262 12044 1 20 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.255 1.824 18262 12045 1 20 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.324 0.654 18262 12046 1 20 . 1 1 45 45 ALA H H 45 8.868 8.868 8.341 0.527 18262 12047 1 20 . 1 1 46 46 GLN N N 46 116.435 116.435 117.641 -1.206 18262 12048 1 20 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.260 -0.196 18262 12049 1 20 . 1 1 46 46 GLN CA C 46 58.973 58.973 57.796 1.177 18262 12050 1 20 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.841 -1.521 18262 12051 1 20 . 1 1 46 46 GLN H H 46 8.253 8.253 7.682 0.571 18262 12052 1 20 . 1 1 47 47 SER N N 47 116.211 116.211 116.621 -0.410 18262 12053 1 20 . 1 1 47 47 SER HA H 47 4.249 4.249 4.182 0.067 18262 12054 1 20 . 1 1 47 47 SER CA C 47 61.766 61.766 61.369 0.397 18262 12055 1 20 . 1 1 47 47 SER CB C 47 62.874 62.874 63.201 -0.327 18262 12056 1 20 . 1 1 47 47 SER H H 47 8.242 8.242 8.582 -0.340 18262 12057 1 20 . 1 1 48 48 MET N N 48 122.179 122.179 121.364 0.815 18262 12058 1 20 . 1 1 48 48 MET HA H 48 4.109 4.109 4.145 -0.036 18262 12059 1 20 . 1 1 48 48 MET CA C 48 57.695 57.695 58.072 -0.377 18262 12060 1 20 . 1 1 48 48 MET CB C 48 31.370 31.370 31.841 -0.471 18262 12061 1 20 . 1 1 48 48 MET H H 48 8.198 8.198 7.894 0.304 18262 12062 1 20 . 1 1 49 49 VAL N N 49 118.918 118.918 119.347 -0.429 18262 12063 1 20 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.614 -0.335 18262 12064 1 20 . 1 1 49 49 VAL CA C 49 67.937 67.937 67.096 0.841 18262 12065 1 20 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.213 0.340 18262 12066 1 20 . 1 1 49 49 VAL H H 49 7.791 7.791 8.300 -0.509 18262 12067 1 20 . 1 1 50 50 GLN N N 50 118.407 118.407 118.289 0.118 18262 12068 1 20 . 1 1 50 50 GLN HA H 50 4.092 4.092 4.002 0.090 18262 12069 1 20 . 1 1 50 50 GLN CA C 50 59.126 59.126 58.394 0.732 18262 12070 1 20 . 1 1 50 50 GLN CB C 50 28.203 28.203 27.595 0.608 18262 12071 1 20 . 1 1 50 50 GLN H H 50 8.206 8.206 7.946 0.260 18262 12072 1 20 . 1 1 51 51 SER N N 51 117.680 117.680 116.459 1.221 18262 12073 1 20 . 1 1 51 51 SER HA H 51 4.209 4.209 4.194 0.015 18262 12074 1 20 . 1 1 51 51 SER CA C 51 62.766 62.766 61.581 1.185 18262 12075 1 20 . 1 1 51 51 SER CB C 51 63.014 63.014 62.816 0.198 18262 12076 1 20 . 1 1 51 51 SER H H 51 8.394 8.394 7.793 0.601 18262 12077 1 20 . 1 1 52 52 ILE N N 52 123.233 123.233 122.278 0.955 18262 12078 1 20 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.672 -0.109 18262 12079 1 20 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.852 0.029 18262 12080 1 20 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.573 0.298 18262 12081 1 20 . 1 1 52 52 ILE H H 52 8.135 8.135 7.651 0.484 18262 12082 1 20 . 1 1 53 53 GLN N N 53 119.911 119.911 119.694 0.217 18262 12083 1 20 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.941 -0.016 18262 12084 1 20 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.168 0.403 18262 12085 1 20 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.071 -0.138 18262 12086 1 20 . 1 1 53 53 GLN H H 53 8.600 8.600 8.424 0.176 18262 12087 1 20 . 1 1 54 54 SER N N 54 115.414 115.414 115.471 -0.057 18262 12088 1 20 . 1 1 54 54 SER HA H 54 4.308 4.308 4.186 0.122 18262 12089 1 20 . 1 1 54 54 SER CA C 54 61.468 61.468 61.444 0.024 18262 12090 1 20 . 1 1 54 54 SER CB C 54 62.950 62.950 62.997 -0.047 18262 12091 1 20 . 1 1 54 54 SER H H 54 8.304 8.304 7.982 0.322 18262 12092 1 20 . 1 1 55 55 LEU N N 55 121.576 121.576 122.532 -0.956 18262 12093 1 20 . 1 1 55 55 LEU HA H 55 4.065 4.065 3.956 0.109 18262 12094 1 20 . 1 1 55 55 LEU CA C 55 57.713 57.713 58.083 -0.370 18262 12095 1 20 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.982 0.371 18262 12096 1 20 . 1 1 55 55 LEU H H 55 7.881 7.881 8.146 -0.265 18262 12097 1 20 . 1 1 56 56 ALA N N 56 121.244 121.244 119.195 2.049 18262 12098 1 20 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.202 0.030 18262 12099 1 20 . 1 1 56 56 ALA CA C 56 54.401 54.401 54.016 0.385 18262 12100 1 20 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.747 -0.485 18262 12101 1 20 . 1 1 56 56 ALA H H 56 8.007 8.007 8.173 -0.166 18262 12102 1 20 . 1 1 57 57 ALA N N 57 121.370 121.370 120.975 0.395 18262 12103 1 20 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.108 0.105 18262 12104 1 20 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.096 0.420 18262 12105 1 20 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.241 -0.701 18262 12106 1 20 . 1 1 57 57 ALA H H 57 8.026 8.026 7.764 0.262 18262 12107 1 20 . 1 1 58 58 GLN N N 58 114.464 114.464 116.569 -2.105 18262 12108 1 20 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.315 0.029 18262 12109 1 20 . 1 1 58 58 GLN CA C 58 56.027 56.027 56.643 -0.616 18262 12110 1 20 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.787 -0.100 18262 12111 1 20 . 1 1 58 58 GLN H H 58 7.759 7.759 8.292 -0.533 18262 12112 1 20 . 1 1 59 59 GLY N N 59 108.318 108.318 106.585 1.733 18262 12113 1 20 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.465 0.671 18262 12114 1 20 . 1 1 59 59 GLY H H 59 7.905 7.905 8.052 -0.147 18262 12115 1 20 . 1 1 60 60 ARG N N 60 118.325 118.325 119.560 -1.235 18262 12116 1 20 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.692 -0.166 18262 12117 1 20 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.476 0.252 18262 12118 1 20 . 1 1 60 60 ARG CB C 60 31.690 31.690 32.023 -0.333 18262 12119 1 20 . 1 1 60 60 ARG H H 60 8.097 8.097 8.345 -0.248 18262 12120 1 20 . 1 1 61 61 THR N N 61 116.640 116.640 117.774 -1.134 18262 12121 1 20 . 1 1 61 61 THR HA H 61 4.782 4.782 4.349 0.433 18262 12122 1 20 . 1 1 61 61 THR CA C 61 63.339 63.339 62.830 0.509 18262 12123 1 20 . 1 1 61 61 THR CB C 61 68.819 68.819 69.344 -0.525 18262 12124 1 20 . 1 1 61 61 THR H H 61 8.038 8.038 8.425 -0.387 18262 12125 1 20 . 1 1 62 62 SER N N 62 119.882 119.882 114.010 5.872 18262 12126 1 20 . 1 1 62 62 SER HA H 62 4.899 4.899 4.385 0.514 18262 12127 1 20 . 1 1 62 62 SER CA C 62 56.263 56.263 58.241 -1.978 18262 12128 1 20 . 1 1 62 62 SER CB C 62 63.827 63.827 63.193 0.634 18262 12129 1 20 . 1 1 62 62 SER H H 62 7.792 7.792 7.979 -0.187 18262 12130 1 20 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.238 0.061 18262 12131 1 20 . 1 1 63 63 PRO CA C 63 65.816 65.816 64.961 0.855 18262 12132 1 20 . 1 1 63 63 PRO CB C 63 32.217 32.217 32.143 0.074 18262 12133 1 20 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.526 0.021 18262 12134 1 20 . 1 1 64 64 ASN CA C 64 56.195 56.195 56.092 0.103 18262 12135 1 20 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.653 0.417 18262 12136 1 20 . 1 1 65 65 LYS N N 65 121.063 121.063 120.704 0.359 18262 12137 1 20 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.109 0.073 18262 12138 1 20 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.775 -0.223 18262 12139 1 20 . 1 1 65 65 LYS CB C 65 32.707 32.707 31.942 0.766 18262 12140 1 20 . 1 1 65 65 LYS H H 65 7.762 7.762 7.726 0.036 18262 12141 1 20 . 1 1 66 66 LEU N N 66 119.082 119.082 116.559 2.523 18262 12142 1 20 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.279 -0.216 18262 12143 1 20 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.457 0.541 18262 12144 1 20 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.610 0.851 18262 12145 1 20 . 1 1 66 66 LEU H H 66 7.934 7.934 7.890 0.044 18262 12146 1 20 . 1 1 67 67 GLN N N 67 119.220 119.220 115.513 3.707 18262 12147 1 20 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.494 -0.287 18262 12148 1 20 . 1 1 67 67 GLN CA C 67 59.087 59.087 56.858 2.228 18262 12149 1 20 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.793 -0.578 18262 12150 1 20 . 1 1 67 67 GLN H H 67 8.201 8.201 7.660 0.541 18262 12151 1 20 . 1 1 68 68 ALA N N 68 121.749 121.749 121.588 0.161 18262 12152 1 20 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.421 -0.242 18262 12153 1 20 . 1 1 68 68 ALA CA C 68 55.275 55.275 53.911 1.364 18262 12154 1 20 . 1 1 68 68 ALA CB C 68 18.105 18.105 20.376 -2.271 18262 12155 1 20 . 1 1 68 68 ALA H H 68 7.739 7.739 7.863 -0.124 18262 12156 1 20 . 1 1 69 69 LEU N N 69 120.591 120.591 119.729 0.862 18262 12157 1 20 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.838 0.157 18262 12158 1 20 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.853 0.121 18262 12159 1 20 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.146 0.192 18262 12160 1 20 . 1 1 69 69 LEU H H 69 7.888 7.888 8.875 -0.987 18262 12161 1 20 . 1 1 70 70 ASN N N 70 119.586 119.586 117.757 1.829 18262 12162 1 20 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.185 -0.654 18262 12163 1 20 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.240 0.779 18262 12164 1 20 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.255 0.593 18262 12165 1 20 . 1 1 70 70 ASN H H 70 8.356 8.356 8.129 0.227 18262 12166 1 20 . 1 1 71 71 MET N N 71 117.354 117.354 118.971 -1.617 18262 12167 1 20 . 1 1 71 71 MET HA H 71 4.271 4.271 4.560 -0.289 18262 12168 1 20 . 1 1 71 71 MET CA C 71 59.088 59.088 58.185 0.903 18262 12169 1 20 . 1 1 71 71 MET CB C 71 32.746 32.746 32.783 -0.037 18262 12170 1 20 . 1 1 71 71 MET H H 71 8.207 8.207 7.582 0.625 18262 12171 1 20 . 1 1 72 72 ALA N N 72 123.354 123.354 124.245 -0.891 18262 12172 1 20 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.947 0.127 18262 12173 1 20 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.211 -0.084 18262 12174 1 20 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.191 -0.034 18262 12175 1 20 . 1 1 72 72 ALA H H 72 8.075 8.075 7.923 0.152 18262 12176 1 20 . 1 1 73 73 PHE N N 73 120.968 120.968 116.980 3.988 18262 12177 1 20 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.206 0.312 18262 12178 1 20 . 1 1 73 73 PHE CA C 73 59.432 59.432 59.610 -0.178 18262 12179 1 20 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.080 1.517 18262 12180 1 20 . 1 1 73 73 PHE H H 73 8.546 8.546 8.397 0.149 18262 12181 1 20 . 1 1 74 74 ALA N N 74 119.865 119.865 122.866 -3.001 18262 12182 1 20 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.559 0.182 18262 12183 1 20 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.618 0.776 18262 12184 1 20 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.586 2.823 18262 12185 1 20 . 1 1 74 74 ALA H H 74 8.593 8.593 7.327 1.266 18262 12186 1 20 . 1 1 75 75 SER N N 75 112.870 112.870 114.655 -1.785 18262 12187 1 20 . 1 1 75 75 SER HA H 75 3.581 3.581 3.981 -0.400 18262 12188 1 20 . 1 1 75 75 SER CA C 75 61.879 61.879 62.069 -0.190 18262 12189 1 20 . 1 1 75 75 SER CB C 75 62.010 62.010 62.272 -0.262 18262 12190 1 20 . 1 1 75 75 SER H H 75 8.501 8.501 8.134 0.367 18262 12191 1 20 . 1 1 76 76 SER N N 76 118.492 118.492 118.090 0.402 18262 12192 1 20 . 1 1 76 76 SER HA H 76 4.301 4.301 4.282 0.019 18262 12193 1 20 . 1 1 76 76 SER CA C 76 62.748 62.748 60.935 1.813 18262 12194 1 20 . 1 1 76 76 SER CB C 76 63.013 63.013 62.982 0.031 18262 12195 1 20 . 1 1 76 76 SER H H 76 8.152 8.152 7.787 0.365 18262 12196 1 20 . 1 1 77 77 MET N N 77 120.358 120.358 120.119 0.239 18262 12197 1 20 . 1 1 77 77 MET HA H 77 3.999 3.999 4.415 -0.416 18262 12198 1 20 . 1 1 77 77 MET CA C 77 60.024 60.024 58.469 1.555 18262 12199 1 20 . 1 1 77 77 MET CB C 77 34.657 34.657 32.673 1.984 18262 12200 1 20 . 1 1 77 77 MET H H 77 8.130 8.130 7.819 0.311 18262 12201 1 20 . 1 1 78 78 ALA N N 78 121.547 121.547 124.129 -2.582 18262 12202 1 20 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.021 -0.095 18262 12203 1 20 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.660 -0.063 18262 12204 1 20 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.886 2.513 18262 12205 1 20 . 1 1 78 78 ALA H H 78 8.534 8.534 8.180 0.354 18262 12206 1 20 . 1 1 79 79 GLU N N 79 116.654 116.654 117.532 -0.878 18262 12207 1 20 . 1 1 79 79 GLU HA H 79 3.980 3.980 3.983 -0.003 18262 12208 1 20 . 1 1 79 79 GLU CA C 79 59.402 59.402 59.128 0.274 18262 12209 1 20 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.678 0.145 18262 12210 1 20 . 1 1 79 79 GLU H H 79 7.557 7.557 7.723 -0.166 18262 12211 1 20 . 1 1 80 80 ILE N N 80 118.293 118.293 118.549 -0.256 18262 12212 1 20 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.946 0.012 18262 12213 1 20 . 1 1 80 80 ILE CA C 80 63.785 63.785 63.801 -0.016 18262 12214 1 20 . 1 1 80 80 ILE CB C 80 38.307 38.307 37.980 0.327 18262 12215 1 20 . 1 1 80 80 ILE H H 80 7.239 7.239 7.142 0.097 18262 12216 1 20 . 1 1 81 81 ALA N N 81 121.511 121.511 123.007 -1.496 18262 12217 1 20 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.071 -0.111 18262 12218 1 20 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.572 0.166 18262 12219 1 20 . 1 1 81 81 ALA CB C 81 17.957 17.957 19.056 -1.099 18262 12220 1 20 . 1 1 81 81 ALA H H 81 8.595 8.595 8.621 -0.026 18262 12221 1 20 . 1 1 82 82 ALA N N 82 116.183 116.183 116.728 -0.545 18262 12222 1 20 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.428 -0.140 18262 12223 1 20 . 1 1 82 82 ALA CA C 82 52.601 52.601 50.798 1.803 18262 12224 1 20 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.386 1.008 18262 12225 1 20 . 1 1 82 82 ALA H H 82 8.001 8.001 7.798 0.203 18262 12226 1 20 . 1 1 83 83 SER N N 83 113.212 113.212 114.950 -1.738 18262 12227 1 20 . 1 1 83 83 SER HA H 83 4.319 4.319 4.361 -0.042 18262 12228 1 20 . 1 1 83 83 SER CA C 83 59.243 59.243 57.315 1.928 18262 12229 1 20 . 1 1 83 83 SER CB C 83 63.971 63.971 64.237 -0.266 18262 12230 1 20 . 1 1 83 83 SER H H 83 7.391 7.391 7.504 -0.113 18262 12231 1 20 . 1 1 84 84 GLU N N 84 123.385 123.385 120.514 2.871 18262 12232 1 20 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.113 0.318 18262 12233 1 20 . 1 1 84 84 GLU CA C 84 56.656 56.656 57.585 -0.929 18262 12234 1 20 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.556 1.020 18262 12235 1 20 . 1 1 84 84 GLU H H 84 8.421 8.421 8.815 -0.394 18262 12236 1 20 . 1 1 85 85 GLU N N 85 121.674 121.674 117.955 3.719 18262 12237 1 20 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.365 -0.091 18262 12238 1 20 . 1 1 85 85 GLU CA C 85 57.127 57.127 55.554 1.573 18262 12239 1 20 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.277 -0.086 18262 12240 1 20 . 1 1 85 85 GLU H H 85 8.407 8.407 7.431 0.976 18262 12241 1 20 . 1 1 86 86 GLY N N 86 110.617 110.617 106.566 4.051 18262 12242 1 20 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.526 0.198 18262 12243 1 20 . 1 1 86 86 GLY H H 86 8.564 8.564 8.780 -0.216 18262 12244 1 20 . 1 1 87 87 GLY N N 87 108.562 108.562 106.471 2.091 18262 12245 1 20 . 1 1 87 87 GLY CA C 87 45.466 45.466 45.225 0.241 18262 12246 1 20 . 1 1 87 87 GLY H H 87 8.257 8.257 8.373 -0.117 18262 12247 1 20 . 1 1 88 88 GLY N N 88 107.890 107.890 109.829 -1.939 18262 12248 1 20 . 1 1 88 88 GLY CA C 88 44.884 44.884 45.179 -0.296 18262 12249 1 20 . 1 1 88 88 GLY H H 88 8.100 8.100 7.729 0.371 18262 12250 1 20 . 1 1 89 89 SER N N 89 115.889 115.889 114.442 1.447 18262 12251 1 20 . 1 1 89 89 SER HA H 89 4.594 4.594 4.740 -0.146 18262 12252 1 20 . 1 1 89 89 SER CA C 89 57.382 57.382 56.527 0.855 18262 12253 1 20 . 1 1 89 89 SER CB C 89 65.271 65.271 66.305 -1.034 18262 12254 1 20 . 1 1 89 89 SER H H 89 8.474 8.474 7.369 1.105 18262 12255 1 20 . 1 1 90 90 LEU N N 90 124.688 124.688 122.879 1.809 18262 12256 1 20 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.401 -0.277 18262 12257 1 20 . 1 1 90 90 LEU CA C 90 58.560 58.560 55.004 3.556 18262 12258 1 20 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.398 0.020 18262 12259 1 20 . 1 1 90 90 LEU H H 90 8.867 8.867 8.663 0.204 18262 12260 1 20 . 1 1 91 91 SER N N 91 114.045 114.045 115.113 -1.068 18262 12261 1 20 . 1 1 91 91 SER CA C 91 61.331 61.331 61.213 0.118 18262 12262 1 20 . 1 1 91 91 SER CB C 91 62.080 62.080 63.148 -1.068 18262 12263 1 20 . 1 1 91 91 SER H H 91 8.501 8.501 8.336 0.165 18262 12264 1 20 . 1 1 92 92 THR N N 92 121.036 121.036 113.156 7.880 18262 12265 1 20 . 1 1 92 92 THR HA H 92 4.006 4.006 4.467 -0.461 18262 12266 1 20 . 1 1 92 92 THR CA C 92 66.537 66.537 63.111 3.426 18262 12267 1 20 . 1 1 92 92 THR CB C 92 68.326 68.326 69.618 -1.292 18262 12268 1 20 . 1 1 92 92 THR H H 92 7.818 7.818 8.193 -0.375 18262 12269 1 20 . 1 1 93 93 LYS N N 93 120.426 120.426 122.835 -2.409 18262 12270 1 20 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.774 0.015 18262 12271 1 20 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.728 1.386 18262 12272 1 20 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.627 1.842 18262 12273 1 20 . 1 1 93 93 LYS H H 93 8.146 8.146 8.288 -0.142 18262 12274 1 20 . 1 1 94 94 THR N N 94 111.775 111.775 111.903 -0.128 18262 12275 1 20 . 1 1 94 94 THR HA H 94 3.933 3.933 4.182 -0.249 18262 12276 1 20 . 1 1 94 94 THR CA C 94 67.228 67.228 66.102 1.126 18262 12277 1 20 . 1 1 94 94 THR CB C 94 68.083 68.083 67.936 0.147 18262 12278 1 20 . 1 1 94 94 THR H H 94 8.881 8.881 7.705 1.176 18262 12279 1 20 . 1 1 95 95 SER N N 95 119.066 119.066 119.376 -0.310 18262 12280 1 20 . 1 1 95 95 SER HA H 95 4.397 4.397 4.140 0.257 18262 12281 1 20 . 1 1 95 95 SER CA C 95 62.060 62.060 62.073 -0.013 18262 12282 1 20 . 1 1 95 95 SER CB C 95 62.693 62.693 62.748 -0.055 18262 12283 1 20 . 1 1 95 95 SER H H 95 8.134 8.134 8.444 -0.310 18262 12284 1 20 . 1 1 96 96 SER N N 96 121.588 121.588 118.834 2.754 18262 12285 1 20 . 1 1 96 96 SER HA H 96 4.462 4.462 4.235 0.227 18262 12286 1 20 . 1 1 96 96 SER CA C 96 62.623 62.623 61.997 0.626 18262 12287 1 20 . 1 1 96 96 SER CB C 96 62.866 62.866 63.368 -0.502 18262 12288 1 20 . 1 1 96 96 SER H H 96 8.642 8.642 8.008 0.634 18262 12289 1 20 . 1 1 97 97 ILE N N 97 122.467 122.467 122.454 0.013 18262 12290 1 20 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.854 -0.057 18262 12291 1 20 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.451 1.383 18262 12292 1 20 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.849 0.866 18262 12293 1 20 . 1 1 97 97 ILE H H 97 8.482 8.482 7.984 0.498 18262 12294 1 20 . 1 1 98 98 ALA N N 98 122.100 122.100 122.669 -0.569 18262 12295 1 20 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.008 0.046 18262 12296 1 20 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.466 0.762 18262 12297 1 20 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.185 0.232 18262 12298 1 20 . 1 1 98 98 ALA H H 98 8.437 8.437 8.360 0.077 18262 12299 1 20 . 1 1 99 99 SER N N 99 115.737 115.737 115.529 0.208 18262 12300 1 20 . 1 1 99 99 SER HA H 99 4.366 4.366 4.158 0.208 18262 12301 1 20 . 1 1 99 99 SER CA C 99 62.029 62.029 61.688 0.341 18262 12302 1 20 . 1 1 99 99 SER CB C 99 63.230 63.230 63.133 0.097 18262 12303 1 20 . 1 1 99 99 SER H H 99 8.658 8.658 7.974 0.684 18262 12304 1 20 . 1 1 100 100 ALA N N 100 124.292 124.292 124.698 -0.406 18262 12305 1 20 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.997 0.248 18262 12306 1 20 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.158 0.233 18262 12307 1 20 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.316 0.176 18262 12308 1 20 . 1 1 100 100 ALA H H 100 8.976 8.976 7.883 1.093 18262 12309 1 20 . 1 1 101 101 MET N N 101 119.143 119.143 117.416 1.727 18262 12310 1 20 . 1 1 101 101 MET HA H 101 4.054 4.054 4.238 -0.184 18262 12311 1 20 . 1 1 101 101 MET CA C 101 61.026 61.026 59.681 1.345 18262 12312 1 20 . 1 1 101 101 MET CB C 101 34.483 34.483 32.821 1.663 18262 12313 1 20 . 1 1 101 101 MET H H 101 9.063 9.063 8.222 0.841 18262 12314 1 20 . 1 1 102 102 SER N N 102 116.778 116.778 116.016 0.762 18262 12315 1 20 . 1 1 102 102 SER HA H 102 4.363 4.363 4.226 0.137 18262 12316 1 20 . 1 1 102 102 SER CA C 102 63.348 63.348 62.337 1.011 18262 12317 1 20 . 1 1 102 102 SER CB C 102 62.593 62.593 62.867 -0.274 18262 12318 1 20 . 1 1 102 102 SER H H 102 8.693 8.693 8.322 0.371 18262 12319 1 20 . 1 1 103 103 ASN N N 103 117.982 117.982 119.429 -1.447 18262 12320 1 20 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.605 -0.141 18262 12321 1 20 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.549 1.113 18262 12322 1 20 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.533 -0.016 18262 12323 1 20 . 1 1 103 103 ASN H H 103 8.108 8.108 8.354 -0.246 18262 12324 1 20 . 1 1 104 104 ALA N N 104 122.272 122.272 122.766 -0.494 18262 12325 1 20 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.094 0.146 18262 12326 1 20 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.219 -0.376 18262 12327 1 20 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.581 -0.348 18262 12328 1 20 . 1 1 104 104 ALA H H 104 7.892 7.892 7.801 0.091 18262 12329 1 20 . 1 1 105 105 PHE N N 105 119.096 119.096 117.980 1.116 18262 12330 1 20 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.564 -0.164 18262 12331 1 20 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.155 4.688 18262 12332 1 20 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.455 0.032 18262 12333 1 20 . 1 1 105 105 PHE H H 105 8.580 8.580 8.134 0.446 18262 12334 1 20 . 1 1 106 106 LEU N N 106 121.540 121.540 118.073 3.467 18262 12335 1 20 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.096 -0.360 18262 12336 1 20 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.717 1.439 18262 12337 1 20 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.687 -0.352 18262 12338 1 20 . 1 1 106 106 LEU H H 106 8.226 8.226 7.631 0.595 18262 12339 1 20 . 1 1 107 107 GLN N N 107 114.603 114.603 117.102 -2.499 18262 12340 1 20 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.266 -0.076 18262 12341 1 20 . 1 1 107 107 GLN CA C 107 57.418 57.418 58.001 -0.583 18262 12342 1 20 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.578 0.912 18262 12343 1 20 . 1 1 107 107 GLN H H 107 8.132 8.132 7.869 0.263 18262 12344 1 20 . 1 1 108 108 THR N N 108 108.290 108.290 111.526 -3.236 18262 12345 1 20 . 1 1 108 108 THR HA H 108 4.518 4.518 4.416 0.102 18262 12346 1 20 . 1 1 108 108 THR CA C 108 62.483 62.483 63.788 -1.304 18262 12347 1 20 . 1 1 108 108 THR CB C 108 70.390 70.390 69.333 1.057 18262 12348 1 20 . 1 1 108 108 THR H H 108 7.726 7.726 7.480 0.246 18262 12349 1 20 . 1 1 109 109 THR N N 109 113.407 113.407 113.227 0.180 18262 12350 1 20 . 1 1 109 109 THR HA H 109 4.586 4.586 4.307 0.279 18262 12351 1 20 . 1 1 109 109 THR CA C 109 62.325 62.325 61.974 0.351 18262 12352 1 20 . 1 1 109 109 THR CB C 109 70.696 70.696 69.731 0.965 18262 12353 1 20 . 1 1 109 109 THR H H 109 8.907 8.907 7.557 1.350 18262 12354 1 20 . 1 1 110 110 GLY N N 110 109.267 109.267 110.117 -0.850 18262 12355 1 20 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.234 0.334 18262 12356 1 20 . 1 1 110 110 GLY H H 110 8.361 8.361 8.077 0.284 18262 12357 1 20 . 1 1 111 111 VAL N N 111 119.375 119.375 118.981 0.394 18262 12358 1 20 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.459 -0.204 18262 12359 1 20 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.524 0.358 18262 12360 1 20 . 1 1 111 111 VAL CB C 111 35.436 35.436 34.828 0.609 18262 12361 1 20 . 1 1 111 111 VAL H H 111 7.784 7.784 7.341 0.443 18262 12362 1 20 . 1 1 112 112 VAL N N 112 125.327 125.327 123.776 1.551 18262 12363 1 20 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.714 -1.502 18262 12364 1 20 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.503 3.976 18262 12365 1 20 . 1 1 112 112 VAL CB C 112 32.696 32.696 34.344 -1.648 18262 12366 1 20 . 1 1 112 112 VAL H H 112 8.747 8.747 8.303 0.444 18262 12367 1 20 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.864 -0.362 18262 12368 1 20 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.715 -1.522 18262 12369 1 20 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.400 -1.278 18262 12370 1 20 . 1 1 114 114 GLN N N 114 124.067 124.067 128.288 -4.221 18262 12371 1 20 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.341 -0.404 18262 12372 1 20 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.125 -0.707 18262 12373 1 20 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.054 -0.507 18262 12374 1 20 . 1 1 114 114 GLN H H 114 8.394 8.394 8.823 -0.429 18262 12375 1 20 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.187 0.063 18262 12376 1 20 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.882 0.790 18262 12377 1 20 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.173 0.126 18262 12378 1 20 . 1 1 116 116 PHE N N 116 117.820 117.820 118.940 -1.120 18262 12379 1 20 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.172 0.030 18262 12380 1 20 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.524 -0.193 18262 12381 1 20 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.096 0.423 18262 12382 1 20 . 1 1 116 116 PHE H H 116 7.268 7.268 8.114 -0.846 18262 12383 1 20 . 1 1 117 117 ILE N N 117 119.434 119.434 119.335 0.099 18262 12384 1 20 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.369 0.165 18262 12385 1 20 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.221 0.526 18262 12386 1 20 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.633 0.562 18262 12387 1 20 . 1 1 117 117 ILE H H 117 7.641 7.641 7.735 -0.094 18262 12388 1 20 . 1 1 118 118 ASN N N 118 119.834 119.834 117.055 2.779 18262 12389 1 20 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.523 -0.210 18262 12390 1 20 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.105 0.596 18262 12391 1 20 . 1 1 118 118 ASN CB C 118 37.521 37.521 38.063 -0.542 18262 12392 1 20 . 1 1 118 118 ASN H H 118 8.985 8.985 8.285 0.700 18262 12393 1 20 . 1 1 119 119 GLU N N 119 121.164 121.164 120.562 0.602 18262 12394 1 20 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.160 -0.137 18262 12395 1 20 . 1 1 119 119 GLU CA C 119 59.637 59.637 58.733 0.904 18262 12396 1 20 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.967 -0.251 18262 12397 1 20 . 1 1 119 119 GLU H H 119 8.090 8.090 7.486 0.604 18262 12398 1 20 . 1 1 120 120 ILE N N 120 117.906 117.906 120.131 -2.225 18262 12399 1 20 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.611 0.143 18262 12400 1 20 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.054 -1.086 18262 12401 1 20 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.696 -0.882 18262 12402 1 20 . 1 1 120 120 ILE H H 120 8.025 8.025 8.280 -0.255 18262 12403 1 20 . 1 1 121 121 THR N N 121 112.720 112.720 112.544 0.176 18262 12404 1 20 . 1 1 121 121 THR HA H 121 3.767 3.767 3.854 -0.087 18262 12405 1 20 . 1 1 121 121 THR CA C 121 67.203 67.203 66.399 0.804 18262 12406 1 20 . 1 1 121 121 THR CB C 121 68.380 68.380 68.430 -0.050 18262 12407 1 20 . 1 1 121 121 THR H H 121 8.665 8.665 8.126 0.539 18262 12408 1 20 . 1 1 122 122 GLN N N 122 123.165 123.165 121.188 1.977 18262 12409 1 20 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.217 -0.129 18262 12410 1 20 . 1 1 122 122 GLN CA C 122 59.262 59.262 57.786 1.476 18262 12411 1 20 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.240 -0.079 18262 12412 1 20 . 1 1 122 122 GLN H H 122 8.128 8.128 7.377 0.751 18262 12413 1 20 . 1 1 123 123 LEU N N 123 120.702 120.702 121.459 -0.757 18262 12414 1 20 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.574 0.349 18262 12415 1 20 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.291 -0.173 18262 12416 1 20 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.542 1.448 18262 12417 1 20 . 1 1 123 123 LEU H H 123 8.173 8.173 8.387 -0.214 18262 12418 1 20 . 1 1 124 124 VAL N N 124 118.840 118.840 118.540 0.300 18262 12419 1 20 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.698 -0.083 18262 12420 1 20 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.492 0.832 18262 12421 1 20 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.516 0.037 18262 12422 1 20 . 1 1 124 124 VAL H H 124 8.742 8.742 8.535 0.207 18262 12423 1 20 . 1 1 125 125 SER N N 125 112.613 112.613 116.293 -3.680 18262 12424 1 20 . 1 1 125 125 SER HA H 125 4.050 4.050 4.177 -0.127 18262 12425 1 20 . 1 1 125 125 SER CA C 125 62.568 62.568 61.958 0.610 18262 12426 1 20 . 1 1 125 125 SER CB C 125 62.960 62.960 62.947 0.013 18262 12427 1 20 . 1 1 125 125 SER H H 125 7.883 7.883 7.566 0.317 18262 12428 1 20 . 1 1 126 126 MET N N 126 120.939 120.939 120.349 0.590 18262 12429 1 20 . 1 1 126 126 MET HA H 126 4.052 4.052 4.249 -0.197 18262 12430 1 20 . 1 1 126 126 MET CA C 126 59.009 59.009 57.222 1.787 18262 12431 1 20 . 1 1 126 126 MET CB C 126 32.780 32.780 32.151 0.629 18262 12432 1 20 . 1 1 126 126 MET H H 126 8.091 8.091 8.355 -0.264 18262 12433 1 20 . 1 1 127 127 PHE N N 127 118.732 118.732 118.862 -0.130 18262 12434 1 20 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.293 0.172 18262 12435 1 20 . 1 1 127 127 PHE CA C 127 60.596 60.596 59.957 0.639 18262 12436 1 20 . 1 1 127 127 PHE CB C 127 38.911 38.911 38.333 0.578 18262 12437 1 20 . 1 1 127 127 PHE H H 127 8.755 8.755 8.250 0.505 18262 12438 1 20 . 1 1 128 128 ALA N N 128 121.647 121.647 120.648 0.999 18262 12439 1 20 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.042 0.175 18262 12440 1 20 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.871 -0.367 18262 12441 1 20 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.837 0.720 18262 12442 1 20 . 1 1 128 128 ALA H H 128 8.638 8.638 8.099 0.539 18262 12443 1 20 . 1 1 129 129 GLN N N 129 115.892 115.892 115.986 -0.094 18262 12444 1 20 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.291 -0.068 18262 12445 1 20 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.434 -0.194 18262 12446 1 20 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.952 -0.575 18262 12447 1 20 . 1 1 129 129 GLN H H 129 7.789 7.789 7.691 0.098 18262 12448 1 20 . 1 1 130 130 ALA N N 130 122.349 122.349 120.316 2.033 18262 12449 1 20 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.004 0.267 18262 12450 1 20 . 1 1 130 130 ALA CA C 130 53.907 53.907 54.096 -0.189 18262 12451 1 20 . 1 1 130 130 ALA CB C 130 18.985 18.985 17.632 1.353 18262 12452 1 20 . 1 1 130 130 ALA H H 130 7.791 7.791 8.134 -0.343 18262 12453 1 20 . 1 1 131 131 GLY N N 131 106.497 106.497 106.051 0.446 18262 12454 1 20 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.173 0.599 18262 12455 1 20 . 1 1 131 131 GLY H H 131 8.157 8.157 8.129 0.028 18262 12456 1 20 . 1 1 132 132 MET N N 132 119.229 119.229 119.260 -0.031 18262 12457 1 20 . 1 1 132 132 MET HA H 132 4.473 4.473 4.723 -0.250 18262 12458 1 20 . 1 1 132 132 MET CA C 132 55.973 55.973 56.887 -0.914 18262 12459 1 20 . 1 1 132 132 MET CB C 132 33.129 33.129 32.717 0.412 18262 12460 1 20 . 1 1 132 132 MET H H 132 7.929 7.929 8.386 -0.457 18262 12461 1 20 . 1 1 133 133 ASN N N 133 118.982 118.982 118.440 0.542 18262 12462 1 20 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.723 0.018 18262 12463 1 20 . 1 1 133 133 ASN CA C 133 53.368 53.368 54.046 -0.678 18262 12464 1 20 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.328 0.021 18262 12465 1 20 . 1 1 133 133 ASN H H 133 8.334 8.334 7.873 0.461 18262 12466 1 20 . 1 1 134 134 ASP N N 134 120.983 120.983 122.792 -1.809 18262 12467 1 20 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.869 -0.226 18262 12468 1 20 . 1 1 134 134 ASP CA C 134 54.507 54.507 53.783 0.724 18262 12469 1 20 . 1 1 134 134 ASP CB C 134 41.283 41.283 41.583 -0.300 18262 12470 1 20 . 1 1 134 134 ASP H H 134 8.282 8.282 8.605 -0.323 18262 12471 1 20 . 1 1 135 135 VAL N N 135 119.922 119.922 119.319 0.603 18262 12472 1 20 . 1 1 135 135 VAL HA H 135 4.197 4.197 3.808 0.389 18262 12473 1 20 . 1 1 135 135 VAL CA C 135 62.327 62.327 64.722 -2.395 18262 12474 1 20 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.106 0.608 18262 12475 1 20 . 1 1 135 135 VAL H H 135 8.080 8.080 7.766 0.314 18262 12476 1 20 . 1 1 136 136 SER N N 136 119.994 119.994 116.036 3.958 18262 12477 1 20 . 1 1 136 136 SER HA H 136 4.459 4.459 4.547 -0.088 18262 12478 1 20 . 1 1 136 136 SER CA C 136 58.412 58.412 57.705 0.707 18262 12479 1 20 . 1 1 136 136 SER CB C 136 64.068 64.068 62.505 1.563 18262 12480 1 20 . 1 1 136 136 SER H H 136 8.397 8.397 7.800 0.597 18262 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 124 2.008 0.301 1.993 18262 2 1 1 "Average Difference" HA 139 0.253 -0.011 0.254 18262 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18262 4 1 1 "Average Difference" CA 133 1.018 -0.351 0.960 18262 5 1 1 "Average Difference" CB 122 0.898 -0.218 0.875 18262 6 1 1 "Average Difference" HN 124 0.432 -0.138 0.411 18262 7 1 2 "Average Difference" N 124 2.138 0.279 2.128 18262 8 1 2 "Average Difference" HA 139 0.234 -0.031 0.233 18262 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18262 10 1 2 "Average Difference" CA 133 0.962 -0.342 0.902 18262 11 1 2 "Average Difference" CB 122 0.952 -0.233 0.927 18262 12 1 2 "Average Difference" HN 124 0.464 -0.160 0.437 18262 13 1 3 "Average Difference" N 124 2.309 0.192 2.310 18262 14 1 3 "Average Difference" HA 139 0.255 -0.016 0.256 18262 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18262 16 1 3 "Average Difference" CA 133 1.080 -0.418 0.999 18262 17 1 3 "Average Difference" CB 122 0.943 -0.235 0.917 18262 18 1 3 "Average Difference" HN 124 0.471 -0.133 0.453 18262 19 1 4 "Average Difference" N 124 2.367 0.153 2.372 18262 20 1 4 "Average Difference" HA 139 0.220 0.004 0.221 18262 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18262 22 1 4 "Average Difference" CA 133 0.999 -0.383 0.926 18262 23 1 4 "Average Difference" CB 122 0.896 -0.204 0.876 18262 24 1 4 "Average Difference" HN 124 0.448 -0.173 0.415 18262 25 1 5 "Average Difference" N 124 2.125 0.357 2.104 18262 26 1 5 "Average Difference" HA 139 0.226 -0.033 0.224 18262 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18262 28 1 5 "Average Difference" CA 133 0.947 -0.314 0.897 18262 29 1 5 "Average Difference" CB 122 0.870 -0.280 0.828 18262 30 1 5 "Average Difference" HN 124 0.437 -0.119 0.422 18262 31 1 6 "Average Difference" N 124 2.186 0.134 2.191 18262 32 1 6 "Average Difference" HA 139 0.246 -0.008 0.246 18262 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18262 34 1 6 "Average Difference" CA 133 1.123 -0.391 1.056 18262 35 1 6 "Average Difference" CB 122 0.931 -0.179 0.917 18262 36 1 6 "Average Difference" HN 124 0.457 -0.134 0.439 18262 37 1 7 "Average Difference" N 124 2.105 0.300 2.092 18262 38 1 7 "Average Difference" HA 139 0.256 -0.009 0.257 18262 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18262 40 1 7 "Average Difference" CA 133 1.127 -0.411 1.054 18262 41 1 7 "Average Difference" CB 122 0.880 -0.236 0.852 18262 42 1 7 "Average Difference" HN 124 0.495 -0.167 0.468 18262 43 1 8 "Average Difference" N 124 2.382 0.218 2.382 18262 44 1 8 "Average Difference" HA 139 0.246 -0.032 0.245 18262 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18262 46 1 8 "Average Difference" CA 133 1.038 -0.327 0.989 18262 47 1 8 "Average Difference" CB 122 0.868 -0.249 0.834 18262 48 1 8 "Average Difference" HN 124 0.455 -0.165 0.426 18262 49 1 9 "Average Difference" N 124 2.401 0.213 2.402 18262 50 1 9 "Average Difference" HA 139 0.247 -0.001 0.248 18262 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18262 52 1 9 "Average Difference" CA 133 1.032 -0.387 0.960 18262 53 1 9 "Average Difference" CB 122 0.888 -0.199 0.869 18262 54 1 9 "Average Difference" HN 124 0.455 -0.138 0.435 18262 55 1 10 "Average Difference" N 124 2.016 0.065 2.023 18262 56 1 10 "Average Difference" HA 139 0.243 -0.013 0.243 18262 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18262 58 1 10 "Average Difference" CA 133 1.072 -0.379 1.006 18262 59 1 10 "Average Difference" CB 122 0.861 -0.245 0.829 18262 60 1 10 "Average Difference" HN 124 0.464 -0.152 0.440 18262 61 1 11 "Average Difference" N 124 2.054 0.128 2.058 18262 62 1 11 "Average Difference" HA 139 0.241 -0.000 0.242 18262 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18262 64 1 11 "Average Difference" CA 133 1.067 -0.367 1.006 18262 65 1 11 "Average Difference" CB 122 0.962 -0.199 0.946 18262 66 1 11 "Average Difference" HN 124 0.461 -0.158 0.434 18262 67 1 12 "Average Difference" N 124 2.258 0.230 2.256 18262 68 1 12 "Average Difference" HA 139 0.235 -0.019 0.235 18262 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18262 70 1 12 "Average Difference" CA 133 0.983 -0.348 0.923 18262 71 1 12 "Average Difference" CB 122 0.874 -0.226 0.848 18262 72 1 12 "Average Difference" HN 124 0.456 -0.175 0.423 18262 73 1 13 "Average Difference" N 124 2.336 -0.015 2.346 18262 74 1 13 "Average Difference" HA 139 0.217 -0.020 0.217 18262 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18262 76 1 13 "Average Difference" CA 133 1.116 -0.455 1.024 18262 77 1 13 "Average Difference" CB 122 0.920 -0.221 0.897 18262 78 1 13 "Average Difference" HN 124 0.453 -0.138 0.434 18262 79 1 14 "Average Difference" N 124 2.229 0.186 2.230 18262 80 1 14 "Average Difference" HA 139 0.228 -0.040 0.226 18262 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18262 82 1 14 "Average Difference" CA 133 1.014 -0.351 0.955 18262 83 1 14 "Average Difference" CB 122 0.904 -0.189 0.888 18262 84 1 14 "Average Difference" HN 124 0.474 -0.113 0.462 18262 85 1 15 "Average Difference" N 124 2.057 0.306 2.042 18262 86 1 15 "Average Difference" HA 139 0.243 -0.009 0.243 18262 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18262 88 1 15 "Average Difference" CA 133 1.088 -0.400 1.015 18262 89 1 15 "Average Difference" CB 122 0.930 -0.236 0.903 18262 90 1 15 "Average Difference" HN 124 0.463 -0.156 0.437 18262 91 1 16 "Average Difference" N 124 2.266 0.270 2.259 18262 92 1 16 "Average Difference" HA 139 0.245 0.002 0.246 18262 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18262 94 1 16 "Average Difference" CA 133 1.050 -0.413 0.969 18262 95 1 16 "Average Difference" CB 122 0.937 -0.113 0.934 18262 96 1 16 "Average Difference" HN 124 0.444 -0.141 0.422 18262 97 1 17 "Average Difference" N 124 2.191 0.122 2.196 18262 98 1 17 "Average Difference" HA 139 0.223 0.001 0.224 18262 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18262 100 1 17 "Average Difference" CA 133 0.987 -0.368 0.919 18262 101 1 17 "Average Difference" CB 122 0.836 -0.238 0.805 18262 102 1 17 "Average Difference" HN 124 0.440 -0.163 0.411 18262 103 1 18 "Average Difference" N 124 2.144 -0.011 2.152 18262 104 1 18 "Average Difference" HA 139 0.254 -0.010 0.255 18262 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18262 106 1 18 "Average Difference" CA 133 1.088 -0.377 1.025 18262 107 1 18 "Average Difference" CB 122 0.896 -0.230 0.870 18262 108 1 18 "Average Difference" HN 124 0.473 -0.192 0.434 18262 109 1 19 "Average Difference" N 124 2.126 0.090 2.132 18262 110 1 19 "Average Difference" HA 139 0.246 0.008 0.247 18262 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18262 112 1 19 "Average Difference" CA 133 1.107 -0.383 1.042 18262 113 1 19 "Average Difference" CB 122 0.874 -0.165 0.861 18262 114 1 19 "Average Difference" HN 124 0.473 -0.147 0.452 18262 115 1 20 "Average Difference" N 124 2.265 -0.158 2.269 18262 116 1 20 "Average Difference" HA 139 0.264 -0.008 0.265 18262 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18262 118 1 20 "Average Difference" CA 133 1.122 -0.414 1.047 18262 119 1 20 "Average Difference" CB 122 0.849 -0.154 0.838 18262 120 1 20 "Average Difference" HN 124 0.483 -0.138 0.465 18262 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 18262 _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 3 3 GLY CA C 3 45.270 45.270 44.925 0.345 18262 2 1 . 1 1 4 4 ASN N N 4 124.122 124.122 119.822 4.300 18262 3 1 . 1 1 4 4 ASN CA C 4 54.827 54.827 53.436 1.391 18262 4 1 . 1 1 4 4 ASN H H 4 7.979 7.979 8.401 -0.422 18262 5 1 . 1 1 6 6 HIS HA H 6 4.692 4.692 4.666 0.026 18262 6 1 . 1 1 6 6 HIS CA C 6 56.068 56.068 55.535 0.533 18262 7 1 . 1 1 6 6 HIS CB C 6 31.102 31.102 29.950 1.152 18262 8 1 . 1 1 7 7 THR N N 7 115.462 115.462 118.667 -3.205 18262 9 1 . 1 1 7 7 THR HA H 7 4.312 4.312 4.262 0.050 18262 10 1 . 1 1 7 7 THR CA C 7 62.316 62.316 62.373 -0.057 18262 11 1 . 1 1 7 7 THR CB C 7 69.849 69.849 69.466 0.383 18262 12 1 . 1 1 7 7 THR H H 7 8.132 8.132 8.059 0.073 18262 13 1 . 1 1 8 8 THR N N 8 115.752 115.752 116.397 -0.645 18262 14 1 . 1 1 8 8 THR HA H 8 4.164 4.164 4.167 -0.004 18262 15 1 . 1 1 8 8 THR CA C 8 58.419 58.419 58.443 -0.024 18262 16 1 . 1 1 8 8 THR CB C 8 69.385 69.385 69.279 0.106 18262 17 1 . 1 1 8 8 THR H H 8 7.981 7.981 7.719 0.262 18262 18 1 . 1 1 9 9 PRO HA H 9 3.952 3.952 3.979 -0.027 18262 19 1 . 1 1 9 9 PRO CA C 9 63.035 63.035 63.519 -0.484 18262 20 1 . 1 1 9 9 PRO CB C 9 30.659 30.659 30.366 0.293 18262 21 1 . 1 1 10 10 TRP N N 10 111.703 111.703 114.993 -3.290 18262 22 1 . 1 1 10 10 TRP HA H 10 4.896 4.896 4.680 0.216 18262 23 1 . 1 1 10 10 TRP CA C 10 54.469 54.469 56.021 -1.552 18262 24 1 . 1 1 10 10 TRP CB C 10 31.246 31.246 28.859 2.387 18262 25 1 . 1 1 10 10 TRP H H 10 6.710 6.710 7.093 -0.383 18262 26 1 . 1 1 11 11 THR N N 11 106.459 106.459 112.234 -5.775 18262 27 1 . 1 1 11 11 THR HA H 11 3.893 3.893 4.153 -0.260 18262 28 1 . 1 1 11 11 THR CA C 11 64.050 64.050 64.064 -0.014 18262 29 1 . 1 1 11 11 THR CB C 11 69.312 69.312 68.985 0.327 18262 30 1 . 1 1 11 11 THR H H 11 7.197 7.197 7.531 -0.334 18262 31 1 . 1 1 12 12 ASN N N 12 116.465 116.465 118.869 -2.404 18262 32 1 . 1 1 12 12 ASN HA H 12 5.108 5.108 5.117 -0.009 18262 33 1 . 1 1 12 12 ASN CA C 12 51.325 51.325 50.827 0.498 18262 34 1 . 1 1 12 12 ASN CB C 12 40.629 40.629 40.558 0.071 18262 35 1 . 1 1 12 12 ASN H H 12 7.285 7.285 7.478 -0.193 18262 36 1 . 1 1 13 13 PRO HA H 13 4.199 4.199 4.345 -0.146 18262 37 1 . 1 1 13 13 PRO CA C 13 65.511 65.511 65.737 -0.226 18262 38 1 . 1 1 13 13 PRO CB C 13 32.552 32.552 32.134 0.418 18262 39 1 . 1 1 14 14 GLY N N 14 109.155 109.155 106.276 2.879 18262 40 1 . 1 1 14 14 GLY CA C 14 47.154 47.154 46.877 0.277 18262 41 1 . 1 1 14 14 GLY H H 14 8.364 8.364 8.585 -0.221 18262 42 1 . 1 1 15 15 LEU N N 15 124.654 124.654 123.204 1.450 18262 43 1 . 1 1 15 15 LEU HA H 15 4.337 4.337 4.088 0.249 18262 44 1 . 1 1 15 15 LEU CA C 15 57.547 57.547 57.090 0.457 18262 45 1 . 1 1 15 15 LEU CB C 15 41.670 41.670 41.669 0.001 18262 46 1 . 1 1 15 15 LEU H H 15 7.910 7.910 7.742 0.168 18262 47 1 . 1 1 16 16 ALA N N 16 121.271 121.271 122.282 -1.011 18262 48 1 . 1 1 16 16 ALA HA H 16 4.004 4.004 4.071 -0.067 18262 49 1 . 1 1 16 16 ALA CA C 16 56.430 56.430 55.478 0.952 18262 50 1 . 1 1 16 16 ALA CB C 16 19.453 19.453 18.250 1.203 18262 51 1 . 1 1 16 16 ALA H H 16 8.440 8.440 8.626 -0.186 18262 52 1 . 1 1 17 17 GLU N N 17 117.125 117.125 119.369 -2.244 18262 53 1 . 1 1 17 17 GLU HA H 17 3.961 3.961 3.986 -0.025 18262 54 1 . 1 1 17 17 GLU CA C 17 59.613 59.613 59.696 -0.083 18262 55 1 . 1 1 17 17 GLU CB C 17 30.002 30.002 29.589 0.413 18262 56 1 . 1 1 17 17 GLU H H 17 7.971 7.971 8.270 -0.299 18262 57 1 . 1 1 18 18 ASN N N 18 118.526 118.526 118.335 0.191 18262 58 1 . 1 1 18 18 ASN HA H 18 4.543 4.543 4.500 0.043 18262 59 1 . 1 1 18 18 ASN CA C 18 56.296 56.296 56.763 -0.467 18262 60 1 . 1 1 18 18 ASN CB C 18 38.322 38.322 38.679 -0.357 18262 61 1 . 1 1 18 18 ASN H H 18 8.071 8.071 8.143 -0.072 18262 62 1 . 1 1 19 19 PHE N N 19 122.197 122.197 123.122 -0.925 18262 63 1 . 1 1 19 19 PHE HA H 19 3.875 3.875 4.163 -0.288 18262 64 1 . 1 1 19 19 PHE CA C 19 62.300 62.300 61.830 0.470 18262 65 1 . 1 1 19 19 PHE CB C 19 39.499 39.499 39.056 0.443 18262 66 1 . 1 1 19 19 PHE H H 19 9.658 9.658 8.896 0.762 18262 67 1 . 1 1 20 20 MET N N 20 118.488 118.488 117.957 0.531 18262 68 1 . 1 1 20 20 MET HA H 20 4.432 4.432 3.891 0.541 18262 69 1 . 1 1 20 20 MET CA C 20 57.732 57.732 57.873 -0.141 18262 70 1 . 1 1 20 20 MET CB C 20 31.999 31.999 31.447 0.552 18262 71 1 . 1 1 20 20 MET H H 20 8.874 8.874 8.673 0.201 18262 72 1 . 1 1 21 21 ASN N N 21 118.434 118.434 118.963 -0.528 18262 73 1 . 1 1 21 21 ASN HA H 21 4.539 4.539 4.448 0.091 18262 74 1 . 1 1 21 21 ASN CA C 21 56.268 56.268 56.778 -0.510 18262 75 1 . 1 1 21 21 ASN CB C 21 37.986 37.986 38.589 -0.603 18262 76 1 . 1 1 21 21 ASN H H 21 8.468 8.468 8.525 -0.057 18262 77 1 . 1 1 22 22 SER N N 22 116.181 116.181 116.321 -0.140 18262 78 1 . 1 1 22 22 SER HA H 22 4.193 4.193 4.178 0.015 18262 79 1 . 1 1 22 22 SER CA C 22 62.195 62.195 61.946 0.249 18262 80 1 . 1 1 22 22 SER CB C 22 62.997 62.997 63.099 -0.102 18262 81 1 . 1 1 22 22 SER H H 22 7.936 7.936 8.092 -0.156 18262 82 1 . 1 1 23 23 PHE N N 23 125.045 125.045 124.232 0.813 18262 83 1 . 1 1 23 23 PHE HA H 23 4.014 4.014 4.081 -0.067 18262 84 1 . 1 1 23 23 PHE CA C 23 60.463 60.463 60.931 -0.468 18262 85 1 . 1 1 23 23 PHE CB C 23 38.969 38.969 38.910 0.059 18262 86 1 . 1 1 23 23 PHE H H 23 9.054 9.054 8.286 0.768 18262 87 1 . 1 1 24 24 MET N N 24 117.336 117.336 118.389 -1.053 18262 88 1 . 1 1 24 24 MET HA H 24 4.029 4.029 3.648 0.381 18262 89 1 . 1 1 24 24 MET CA C 24 56.117 56.117 58.903 -2.786 18262 90 1 . 1 1 24 24 MET CB C 24 30.378 30.378 32.062 -1.684 18262 91 1 . 1 1 24 24 MET H H 24 8.314 8.314 8.563 -0.249 18262 92 1 . 1 1 25 25 GLN N N 25 120.286 120.286 117.722 2.564 18262 93 1 . 1 1 25 25 GLN HA H 25 3.982 3.982 4.031 -0.049 18262 94 1 . 1 1 25 25 GLN CA C 25 59.206 59.206 58.474 0.732 18262 95 1 . 1 1 25 25 GLN CB C 25 28.304 28.304 28.311 -0.007 18262 96 1 . 1 1 25 25 GLN H H 25 8.044 8.044 8.204 -0.160 18262 97 1 . 1 1 26 26 GLY N N 26 107.817 107.817 107.263 0.554 18262 98 1 . 1 1 26 26 GLY CA C 26 47.018 47.018 46.233 0.785 18262 99 1 . 1 1 26 26 GLY H H 26 8.101 8.101 7.906 0.195 18262 100 1 . 1 1 27 27 LEU N N 27 122.926 122.926 122.654 0.272 18262 101 1 . 1 1 27 27 LEU HA H 27 3.786 3.786 4.003 -0.217 18262 102 1 . 1 1 27 27 LEU CA C 27 57.394 57.394 56.671 0.723 18262 103 1 . 1 1 27 27 LEU CB C 27 42.108 42.108 41.232 0.876 18262 104 1 . 1 1 27 27 LEU H H 27 8.391 8.391 8.185 0.206 18262 105 1 . 1 1 28 28 SER N N 28 109.497 109.497 113.341 -3.844 18262 106 1 . 1 1 28 28 SER HA H 28 4.150 4.150 4.220 -0.070 18262 107 1 . 1 1 28 28 SER CA C 28 61.223 61.223 60.375 0.848 18262 108 1 . 1 1 28 28 SER CB C 28 63.390 63.390 62.792 0.598 18262 109 1 . 1 1 28 28 SER H H 28 7.519 7.519 7.835 -0.316 18262 110 1 . 1 1 29 29 SER N N 29 114.590 114.590 115.067 -0.477 18262 111 1 . 1 1 29 29 SER HA H 29 4.739 4.739 4.487 0.252 18262 112 1 . 1 1 29 29 SER CA C 29 58.035 58.035 58.575 -0.540 18262 113 1 . 1 1 29 29 SER CB C 29 64.626 64.626 63.894 0.732 18262 114 1 . 1 1 29 29 SER H H 29 7.451 7.451 7.507 -0.056 18262 115 1 . 1 1 30 30 MET N N 30 122.408 122.408 122.537 -0.129 18262 116 1 . 1 1 30 30 MET HA H 30 4.946 4.946 4.839 0.107 18262 117 1 . 1 1 30 30 MET CA C 30 53.633 53.633 53.005 0.628 18262 118 1 . 1 1 30 30 MET CB C 30 32.300 32.300 32.341 -0.041 18262 119 1 . 1 1 30 30 MET H H 30 7.659 7.659 7.558 0.101 18262 120 1 . 1 1 31 31 PRO HA H 31 4.668 4.668 4.496 0.172 18262 121 1 . 1 1 31 31 PRO CA C 31 62.950 62.950 63.270 -0.320 18262 122 1 . 1 1 31 31 PRO CB C 31 32.812 32.812 32.641 0.171 18262 123 1 . 1 1 32 32 GLY N N 32 106.245 106.245 107.189 -0.944 18262 124 1 . 1 1 32 32 GLY CA C 32 45.791 45.791 45.155 0.636 18262 125 1 . 1 1 32 32 GLY H H 32 8.407 8.407 8.572 -0.165 18262 126 1 . 1 1 33 33 PHE N N 33 116.330 116.330 121.005 -4.675 18262 127 1 . 1 1 33 33 PHE HA H 33 5.157 5.157 4.871 0.286 18262 128 1 . 1 1 33 33 PHE CA C 33 56.933 56.933 57.596 -0.663 18262 129 1 . 1 1 33 33 PHE CB C 33 42.112 42.112 41.039 1.073 18262 130 1 . 1 1 33 33 PHE H H 33 7.865 7.865 7.488 0.377 18262 131 1 . 1 1 34 34 THR N N 34 113.680 113.680 115.141 -1.461 18262 132 1 . 1 1 34 34 THR HA H 34 4.544 4.544 4.623 -0.079 18262 133 1 . 1 1 34 34 THR CA C 34 60.409 60.409 60.281 0.128 18262 134 1 . 1 1 34 34 THR CB C 34 70.714 70.714 71.244 -0.530 18262 135 1 . 1 1 34 34 THR H H 34 8.895 8.895 8.225 0.670 18262 136 1 . 1 1 35 35 ALA N N 35 123.074 123.074 125.793 -2.719 18262 137 1 . 1 1 35 35 ALA HA H 35 4.085 4.085 4.045 0.040 18262 138 1 . 1 1 35 35 ALA CA C 35 55.897 55.897 55.306 0.591 18262 139 1 . 1 1 35 35 ALA CB C 35 18.168 18.168 18.487 -0.319 18262 140 1 . 1 1 35 35 ALA H H 35 8.880 8.880 8.690 0.190 18262 141 1 . 1 1 36 36 SER N N 36 112.915 112.915 113.785 -0.870 18262 142 1 . 1 1 36 36 SER HA H 36 4.273 4.273 4.094 0.179 18262 143 1 . 1 1 36 36 SER CA C 36 61.473 61.473 61.483 -0.010 18262 144 1 . 1 1 36 36 SER CB C 36 62.441 62.441 62.813 -0.372 18262 145 1 . 1 1 36 36 SER H H 36 8.413 8.413 8.439 -0.026 18262 146 1 . 1 1 37 37 GLN N N 37 121.627 121.627 120.767 0.860 18262 147 1 . 1 1 37 37 GLN HA H 37 4.276 4.276 4.223 0.053 18262 148 1 . 1 1 37 37 GLN CA C 37 58.708 58.708 58.482 0.226 18262 149 1 . 1 1 37 37 GLN CB C 37 29.193 29.193 28.830 0.363 18262 150 1 . 1 1 37 37 GLN H H 37 7.639 7.639 7.890 -0.251 18262 151 1 . 1 1 38 38 LEU N N 38 119.757 119.757 120.185 -0.428 18262 152 1 . 1 1 38 38 LEU HA H 38 3.827 3.827 3.950 -0.123 18262 153 1 . 1 1 38 38 LEU CA C 38 57.999 57.999 57.094 0.905 18262 154 1 . 1 1 38 38 LEU CB C 38 41.026 41.026 40.977 0.049 18262 155 1 . 1 1 38 38 LEU H H 38 8.351 8.351 8.098 0.253 18262 156 1 . 1 1 39 39 ASP N N 39 122.097 122.097 120.038 2.059 18262 157 1 . 1 1 39 39 ASP HA H 39 4.436 4.436 4.294 0.142 18262 158 1 . 1 1 39 39 ASP CA C 39 57.780 57.780 58.079 -0.299 18262 159 1 . 1 1 39 39 ASP CB C 39 40.372 40.372 40.876 -0.504 18262 160 1 . 1 1 39 39 ASP H H 39 7.962 7.962 8.100 -0.138 18262 161 1 . 1 1 40 40 ASP N N 40 122.033 122.033 119.254 2.779 18262 162 1 . 1 1 40 40 ASP HA H 40 4.490 4.490 4.481 0.009 18262 163 1 . 1 1 40 40 ASP CA C 40 57.890 57.890 56.617 1.273 18262 164 1 . 1 1 40 40 ASP CB C 40 40.260 40.260 41.055 -0.795 18262 165 1 . 1 1 40 40 ASP H H 40 8.052 8.052 7.588 0.464 18262 166 1 . 1 1 41 41 MET N N 41 121.130 121.130 119.025 2.105 18262 167 1 . 1 1 41 41 MET HA H 41 4.191 4.191 4.094 0.097 18262 168 1 . 1 1 41 41 MET CA C 41 57.798 57.798 59.020 -1.222 18262 169 1 . 1 1 41 41 MET CB C 41 31.529 31.529 32.107 -0.578 18262 170 1 . 1 1 41 41 MET H H 41 8.708 8.708 8.058 0.650 18262 171 1 . 1 1 42 42 SER N N 42 116.303 116.303 114.622 1.681 18262 172 1 . 1 1 42 42 SER HA H 42 4.301 4.301 4.205 0.096 18262 173 1 . 1 1 42 42 SER CA C 42 62.145 62.145 61.822 0.323 18262 174 1 . 1 1 42 42 SER CB C 42 62.835 62.835 62.819 0.016 18262 175 1 . 1 1 42 42 SER H H 42 8.364 8.364 8.207 0.157 18262 176 1 . 1 1 43 43 THR N N 43 119.136 119.136 119.145 -0.009 18262 177 1 . 1 1 43 43 THR HA H 43 4.051 4.051 4.096 -0.045 18262 178 1 . 1 1 43 43 THR CA C 43 66.673 66.673 66.824 -0.151 18262 179 1 . 1 1 43 43 THR CB C 43 68.635 68.635 68.784 -0.149 18262 180 1 . 1 1 43 43 THR H H 43 7.944 7.944 7.490 0.454 18262 181 1 . 1 1 44 44 ILE N N 44 122.789 122.789 121.845 0.944 18262 182 1 . 1 1 44 44 ILE HA H 44 3.948 3.948 3.675 0.273 18262 183 1 . 1 1 44 44 ILE CA C 44 64.647 64.647 65.512 -0.865 18262 184 1 . 1 1 44 44 ILE CB C 44 38.047 38.047 37.460 0.587 18262 185 1 . 1 1 44 44 ILE H H 44 7.856 7.856 8.029 -0.173 18262 186 1 . 1 1 45 45 ALA N N 45 124.903 124.903 120.901 4.002 18262 187 1 . 1 1 45 45 ALA HA H 45 4.134 4.134 4.109 0.025 18262 188 1 . 1 1 45 45 ALA CA C 45 56.079 56.079 54.831 1.248 18262 189 1 . 1 1 45 45 ALA CB C 45 18.978 18.978 18.343 0.635 18262 190 1 . 1 1 45 45 ALA H H 45 8.868 8.868 8.333 0.535 18262 191 1 . 1 1 46 46 GLN N N 46 116.435 116.435 117.448 -1.013 18262 192 1 . 1 1 46 46 GLN HA H 46 4.064 4.064 4.163 -0.099 18262 193 1 . 1 1 46 46 GLN CA C 46 58.973 58.973 58.266 0.707 18262 194 1 . 1 1 46 46 GLN CB C 46 28.320 28.320 29.088 -0.768 18262 195 1 . 1 1 46 46 GLN H H 46 8.253 8.253 7.847 0.406 18262 196 1 . 1 1 47 47 SER N N 47 116.211 116.211 116.589 -0.378 18262 197 1 . 1 1 47 47 SER HA H 47 4.249 4.249 4.311 -0.062 18262 198 1 . 1 1 47 47 SER CA C 47 61.766 61.766 61.233 0.532 18262 199 1 . 1 1 47 47 SER CB C 47 62.874 62.874 63.135 -0.261 18262 200 1 . 1 1 47 47 SER H H 47 8.242 8.242 8.436 -0.194 18262 201 1 . 1 1 48 48 MET N N 48 122.179 122.179 121.241 0.939 18262 202 1 . 1 1 48 48 MET HA H 48 4.109 4.109 4.108 0.001 18262 203 1 . 1 1 48 48 MET CA C 48 57.695 57.695 57.854 -0.159 18262 204 1 . 1 1 48 48 MET CB C 48 31.370 31.370 31.886 -0.516 18262 205 1 . 1 1 48 48 MET H H 48 8.198 8.198 8.108 0.090 18262 206 1 . 1 1 49 49 VAL N N 49 118.918 118.918 118.852 0.066 18262 207 1 . 1 1 49 49 VAL HA H 49 3.279 3.279 3.604 -0.325 18262 208 1 . 1 1 49 49 VAL CA C 49 67.937 67.937 66.739 1.198 18262 209 1 . 1 1 49 49 VAL CB C 49 31.553 31.553 31.127 0.426 18262 210 1 . 1 1 49 49 VAL H H 49 7.791 7.791 7.929 -0.138 18262 211 1 . 1 1 50 50 GLN N N 50 118.407 118.407 119.026 -0.619 18262 212 1 . 1 1 50 50 GLN HA H 50 4.092 4.092 3.970 0.122 18262 213 1 . 1 1 50 50 GLN CA C 50 59.126 59.126 59.068 0.058 18262 214 1 . 1 1 50 50 GLN CB C 50 28.203 28.203 28.082 0.121 18262 215 1 . 1 1 50 50 GLN H H 50 8.206 8.206 8.196 0.010 18262 216 1 . 1 1 51 51 SER N N 51 117.680 117.680 116.358 1.322 18262 217 1 . 1 1 51 51 SER HA H 51 4.209 4.209 4.177 0.032 18262 218 1 . 1 1 51 51 SER CA C 51 62.766 62.766 62.017 0.749 18262 219 1 . 1 1 51 51 SER CB C 51 63.014 63.014 62.796 0.218 18262 220 1 . 1 1 51 51 SER H H 51 8.394 8.394 7.931 0.463 18262 221 1 . 1 1 52 52 ILE N N 52 123.233 123.233 121.788 1.445 18262 222 1 . 1 1 52 52 ILE HA H 52 3.563 3.563 3.720 -0.157 18262 223 1 . 1 1 52 52 ILE CA C 52 64.881 64.881 64.665 0.216 18262 224 1 . 1 1 52 52 ILE CB C 52 37.871 37.871 37.546 0.325 18262 225 1 . 1 1 52 52 ILE H H 52 8.135 8.135 7.527 0.608 18262 226 1 . 1 1 53 53 GLN N N 53 119.911 119.911 119.957 -0.046 18262 227 1 . 1 1 53 53 GLN HA H 53 3.925 3.925 3.990 -0.065 18262 228 1 . 1 1 53 53 GLN CA C 53 59.571 59.571 59.025 0.546 18262 229 1 . 1 1 53 53 GLN CB C 53 27.933 27.933 28.214 -0.281 18262 230 1 . 1 1 53 53 GLN H H 53 8.600 8.600 8.485 0.115 18262 231 1 . 1 1 54 54 SER N N 54 115.414 115.414 115.054 0.360 18262 232 1 . 1 1 54 54 SER HA H 54 4.308 4.308 4.267 0.041 18262 233 1 . 1 1 54 54 SER CA C 54 61.468 61.468 61.194 0.274 18262 234 1 . 1 1 54 54 SER CB C 54 62.950 62.950 63.162 -0.211 18262 235 1 . 1 1 54 54 SER H H 54 8.304 8.304 8.019 0.285 18262 236 1 . 1 1 55 55 LEU N N 55 121.576 121.576 122.905 -1.329 18262 237 1 . 1 1 55 55 LEU HA H 55 4.065 4.065 4.069 -0.004 18262 238 1 . 1 1 55 55 LEU CA C 55 57.713 57.713 57.680 0.033 18262 239 1 . 1 1 55 55 LEU CB C 55 42.353 42.353 41.890 0.463 18262 240 1 . 1 1 55 55 LEU H H 55 7.881 7.881 7.836 0.045 18262 241 1 . 1 1 56 56 ALA N N 56 121.244 121.244 119.467 1.777 18262 242 1 . 1 1 56 56 ALA HA H 56 4.232 4.232 4.217 0.015 18262 243 1 . 1 1 56 56 ALA CA C 56 54.401 54.401 53.917 0.484 18262 244 1 . 1 1 56 56 ALA CB C 56 18.262 18.262 18.592 -0.330 18262 245 1 . 1 1 56 56 ALA H H 56 8.007 8.007 8.192 -0.185 18262 246 1 . 1 1 57 57 ALA N N 57 121.370 121.370 120.969 0.401 18262 247 1 . 1 1 57 57 ALA HA H 57 4.213 4.213 4.164 0.049 18262 248 1 . 1 1 57 57 ALA CA C 57 54.516 54.516 54.032 0.484 18262 249 1 . 1 1 57 57 ALA CB C 57 18.540 18.540 19.157 -0.617 18262 250 1 . 1 1 57 57 ALA H H 57 8.026 8.026 7.696 0.330 18262 251 1 . 1 1 58 58 GLN N N 58 114.464 114.464 116.827 -2.363 18262 252 1 . 1 1 58 58 GLN HA H 58 4.344 4.344 4.372 -0.028 18262 253 1 . 1 1 58 58 GLN CA C 58 56.027 56.027 55.895 0.132 18262 254 1 . 1 1 58 58 GLN CB C 58 29.687 29.687 29.458 0.229 18262 255 1 . 1 1 58 58 GLN H H 58 7.759 7.759 8.071 -0.312 18262 256 1 . 1 1 59 59 GLY N N 59 108.318 108.318 108.440 -0.122 18262 257 1 . 1 1 59 59 GLY CA C 59 46.136 46.136 45.112 1.025 18262 258 1 . 1 1 59 59 GLY H H 59 7.905 7.905 7.940 -0.035 18262 259 1 . 1 1 60 60 ARG N N 60 118.325 118.325 121.300 -2.975 18262 260 1 . 1 1 60 60 ARG HA H 60 4.526 4.526 4.572 -0.046 18262 261 1 . 1 1 60 60 ARG CA C 60 55.728 55.728 55.461 0.267 18262 262 1 . 1 1 60 60 ARG CB C 60 31.690 31.690 31.479 0.211 18262 263 1 . 1 1 60 60 ARG H H 60 8.097 8.097 8.127 -0.031 18262 264 1 . 1 1 61 61 THR N N 61 116.640 116.640 119.161 -2.521 18262 265 1 . 1 1 61 61 THR HA H 61 4.782 4.782 4.479 0.303 18262 266 1 . 1 1 61 61 THR CA C 61 63.339 63.339 61.997 1.342 18262 267 1 . 1 1 61 61 THR CB C 61 68.819 68.819 69.692 -0.873 18262 268 1 . 1 1 61 61 THR H H 61 8.038 8.038 8.311 -0.273 18262 269 1 . 1 1 62 62 SER N N 62 119.882 119.882 119.575 0.307 18262 270 1 . 1 1 62 62 SER HA H 62 4.899 4.899 4.585 0.314 18262 271 1 . 1 1 62 62 SER CA C 62 56.263 56.263 57.223 -0.960 18262 272 1 . 1 1 62 62 SER CB C 62 63.827 63.827 63.274 0.553 18262 273 1 . 1 1 62 62 SER H H 62 7.792 7.792 8.131 -0.339 18262 274 1 . 1 1 63 63 PRO HA H 63 4.299 4.299 4.236 0.063 18262 275 1 . 1 1 63 63 PRO CA C 63 65.816 65.816 65.403 0.412 18262 276 1 . 1 1 63 63 PRO CB C 63 32.217 32.217 31.892 0.325 18262 277 1 . 1 1 64 64 ASN HA H 64 4.547 4.547 4.525 0.022 18262 278 1 . 1 1 64 64 ASN CA C 64 56.195 56.195 55.912 0.283 18262 279 1 . 1 1 64 64 ASN CB C 64 38.070 38.070 37.781 0.289 18262 280 1 . 1 1 65 65 LYS N N 65 121.063 121.063 119.943 1.120 18262 281 1 . 1 1 65 65 LYS HA H 65 4.182 4.182 4.128 0.054 18262 282 1 . 1 1 65 65 LYS CA C 65 58.552 58.552 58.542 0.010 18262 283 1 . 1 1 65 65 LYS CB C 65 32.707 32.707 32.148 0.559 18262 284 1 . 1 1 65 65 LYS H H 65 7.762 7.762 7.915 -0.153 18262 285 1 . 1 1 66 66 LEU N N 66 119.082 119.082 118.363 0.719 18262 286 1 . 1 1 66 66 LEU HA H 66 4.063 4.063 4.301 -0.238 18262 287 1 . 1 1 66 66 LEU CA C 66 57.998 57.998 57.465 0.533 18262 288 1 . 1 1 66 66 LEU CB C 66 41.461 41.461 40.919 0.542 18262 289 1 . 1 1 66 66 LEU H H 66 7.934 7.934 7.637 0.297 18262 290 1 . 1 1 67 67 GLN N N 67 119.220 119.220 116.296 2.924 18262 291 1 . 1 1 67 67 GLN HA H 67 4.207 4.207 4.455 -0.247 18262 292 1 . 1 1 67 67 GLN CA C 67 59.087 59.087 57.308 1.779 18262 293 1 . 1 1 67 67 GLN CB C 67 28.215 28.215 28.626 -0.411 18262 294 1 . 1 1 67 67 GLN H H 67 8.201 8.201 7.700 0.501 18262 295 1 . 1 1 68 68 ALA N N 68 121.749 121.749 122.221 -0.472 18262 296 1 . 1 1 68 68 ALA HA H 68 4.179 4.179 4.325 -0.146 18262 297 1 . 1 1 68 68 ALA CA C 68 55.275 55.275 54.381 0.894 18262 298 1 . 1 1 68 68 ALA CB C 68 18.105 18.105 19.730 -1.625 18262 299 1 . 1 1 68 68 ALA H H 68 7.739 7.739 7.815 -0.076 18262 300 1 . 1 1 69 69 LEU N N 69 120.591 120.591 118.723 1.868 18262 301 1 . 1 1 69 69 LEU HA H 69 3.995 3.995 3.870 0.125 18262 302 1 . 1 1 69 69 LEU CA C 69 57.974 57.974 57.456 0.518 18262 303 1 . 1 1 69 69 LEU CB C 69 41.338 41.338 41.221 0.117 18262 304 1 . 1 1 69 69 LEU H H 69 7.888 7.888 8.585 -0.697 18262 305 1 . 1 1 70 70 ASN N N 70 119.586 119.586 117.703 1.883 18262 306 1 . 1 1 70 70 ASN HA H 70 4.531 4.531 5.222 -0.691 18262 307 1 . 1 1 70 70 ASN CA C 70 57.020 57.020 56.182 0.838 18262 308 1 . 1 1 70 70 ASN CB C 70 38.848 38.848 38.334 0.514 18262 309 1 . 1 1 70 70 ASN H H 70 8.356 8.356 8.162 0.194 18262 310 1 . 1 1 71 71 MET N N 71 117.354 117.354 117.682 -0.328 18262 311 1 . 1 1 71 71 MET HA H 71 4.271 4.271 4.615 -0.344 18262 312 1 . 1 1 71 71 MET CA C 71 59.088 59.088 57.840 1.248 18262 313 1 . 1 1 71 71 MET CB C 71 32.746 32.746 32.731 0.015 18262 314 1 . 1 1 71 71 MET H H 71 8.207 8.207 7.612 0.595 18262 315 1 . 1 1 72 72 ALA N N 72 123.354 123.354 124.136 -0.782 18262 316 1 . 1 1 72 72 ALA HA H 72 4.074 4.074 3.950 0.124 18262 317 1 . 1 1 72 72 ALA CA C 72 55.127 55.127 55.162 -0.035 18262 318 1 . 1 1 72 72 ALA CB C 72 18.157 18.157 18.280 -0.123 18262 319 1 . 1 1 72 72 ALA H H 72 8.075 8.075 7.733 0.342 18262 320 1 . 1 1 73 73 PHE N N 73 120.968 120.968 116.754 4.214 18262 321 1 . 1 1 73 73 PHE HA H 73 4.518 4.518 4.327 0.191 18262 322 1 . 1 1 73 73 PHE CA C 73 59.432 59.432 58.892 0.540 18262 323 1 . 1 1 73 73 PHE CB C 73 39.597 39.597 38.013 1.584 18262 324 1 . 1 1 73 73 PHE H H 73 8.546 8.546 7.983 0.563 18262 325 1 . 1 1 74 74 ALA N N 74 119.865 119.865 122.588 -2.723 18262 326 1 . 1 1 74 74 ALA HA H 74 3.741 3.741 3.582 0.159 18262 327 1 . 1 1 74 74 ALA CA C 74 55.394 55.394 54.586 0.808 18262 328 1 . 1 1 74 74 ALA CB C 74 20.409 20.409 17.657 2.752 18262 329 1 . 1 1 74 74 ALA H H 74 8.593 8.593 7.396 1.197 18262 330 1 . 1 1 75 75 SER N N 75 112.870 112.870 113.937 -1.067 18262 331 1 . 1 1 75 75 SER HA H 75 3.581 3.581 4.017 -0.436 18262 332 1 . 1 1 75 75 SER CA C 75 61.879 61.879 61.175 0.705 18262 333 1 . 1 1 75 75 SER CB C 75 62.010 62.010 62.335 -0.325 18262 334 1 . 1 1 75 75 SER H H 75 8.501 8.501 7.951 0.550 18262 335 1 . 1 1 76 76 SER N N 76 118.492 118.492 117.764 0.728 18262 336 1 . 1 1 76 76 SER HA H 76 4.301 4.301 4.298 0.003 18262 337 1 . 1 1 76 76 SER CA C 76 62.748 62.748 61.421 1.327 18262 338 1 . 1 1 76 76 SER CB C 76 63.013 63.013 63.063 -0.050 18262 339 1 . 1 1 76 76 SER H H 76 8.152 8.152 7.628 0.524 18262 340 1 . 1 1 77 77 MET N N 77 120.358 120.358 120.742 -0.384 18262 341 1 . 1 1 77 77 MET HA H 77 3.999 3.999 4.311 -0.312 18262 342 1 . 1 1 77 77 MET CA C 77 60.024 60.024 58.841 1.183 18262 343 1 . 1 1 77 77 MET CB C 77 34.657 34.657 32.501 2.156 18262 344 1 . 1 1 77 77 MET H H 77 8.130 8.130 8.086 0.044 18262 345 1 . 1 1 78 78 ALA N N 78 121.547 121.547 122.823 -1.276 18262 346 1 . 1 1 78 78 ALA HA H 78 3.926 3.926 4.043 -0.117 18262 347 1 . 1 1 78 78 ALA CA C 78 55.596 55.596 55.720 -0.124 18262 348 1 . 1 1 78 78 ALA CB C 78 20.399 20.399 17.979 2.420 18262 349 1 . 1 1 78 78 ALA H H 78 8.534 8.534 8.093 0.441 18262 350 1 . 1 1 79 79 GLU N N 79 116.654 116.654 117.390 -0.736 18262 351 1 . 1 1 79 79 GLU HA H 79 3.980 3.980 4.090 -0.110 18262 352 1 . 1 1 79 79 GLU CA C 79 59.402 59.402 58.829 0.573 18262 353 1 . 1 1 79 79 GLU CB C 79 29.823 29.823 29.492 0.331 18262 354 1 . 1 1 79 79 GLU H H 79 7.557 7.557 7.806 -0.248 18262 355 1 . 1 1 80 80 ILE N N 80 118.293 118.293 119.081 -0.788 18262 356 1 . 1 1 80 80 ILE HA H 80 3.958 3.958 3.969 -0.011 18262 357 1 . 1 1 80 80 ILE CA C 80 63.785 63.785 64.136 -0.351 18262 358 1 . 1 1 80 80 ILE CB C 80 38.307 38.307 38.252 0.055 18262 359 1 . 1 1 80 80 ILE H H 80 7.239 7.239 7.329 -0.090 18262 360 1 . 1 1 81 81 ALA N N 81 121.511 121.511 122.977 -1.466 18262 361 1 . 1 1 81 81 ALA HA H 81 3.960 3.960 4.062 -0.102 18262 362 1 . 1 1 81 81 ALA CA C 81 54.738 54.738 54.627 0.111 18262 363 1 . 1 1 81 81 ALA CB C 81 17.957 17.957 18.605 -0.648 18262 364 1 . 1 1 81 81 ALA H H 81 8.595 8.595 8.644 -0.049 18262 365 1 . 1 1 82 82 ALA N N 82 116.183 116.183 117.596 -1.413 18262 366 1 . 1 1 82 82 ALA HA H 82 4.288 4.288 4.369 -0.081 18262 367 1 . 1 1 82 82 ALA CA C 82 52.601 52.601 51.340 1.261 18262 368 1 . 1 1 82 82 ALA CB C 82 19.394 19.394 18.633 0.760 18262 369 1 . 1 1 82 82 ALA H H 82 8.001 8.001 7.824 0.177 18262 370 1 . 1 1 83 83 SER N N 83 113.212 113.212 115.246 -2.034 18262 371 1 . 1 1 83 83 SER HA H 83 4.319 4.319 4.409 -0.090 18262 372 1 . 1 1 83 83 SER CA C 83 59.243 59.243 57.832 1.411 18262 373 1 . 1 1 83 83 SER CB C 83 63.971 63.971 63.878 0.093 18262 374 1 . 1 1 83 83 SER H H 83 7.391 7.391 7.485 -0.094 18262 375 1 . 1 1 84 84 GLU N N 84 123.385 123.385 126.288 -2.903 18262 376 1 . 1 1 84 84 GLU HA H 84 4.431 4.431 4.347 0.084 18262 377 1 . 1 1 84 84 GLU CA C 84 56.656 56.656 56.456 0.200 18262 378 1 . 1 1 84 84 GLU CB C 84 30.576 30.576 29.452 1.124 18262 379 1 . 1 1 84 84 GLU H H 84 8.421 8.421 8.732 -0.311 18262 380 1 . 1 1 85 85 GLU N N 85 121.674 121.674 121.942 -0.268 18262 381 1 . 1 1 85 85 GLU HA H 85 4.274 4.274 4.388 -0.114 18262 382 1 . 1 1 85 85 GLU CA C 85 57.127 57.127 56.127 1.000 18262 383 1 . 1 1 85 85 GLU CB C 85 30.191 30.191 30.906 -0.715 18262 384 1 . 1 1 85 85 GLU H H 85 8.407 8.407 7.856 0.550 18262 385 1 . 1 1 86 86 GLY N N 86 110.617 110.617 108.891 1.726 18262 386 1 . 1 1 86 86 GLY CA C 86 45.724 45.724 45.345 0.379 18262 387 1 . 1 1 86 86 GLY H H 86 8.564 8.564 8.505 0.059 18262 388 1 . 1 1 87 87 GLY N N 87 108.562 108.562 109.118 -0.556 18262 389 1 . 1 1 87 87 GLY CA C 87 45.466 45.466 44.711 0.755 18262 390 1 . 1 1 87 87 GLY H H 87 8.257 8.257 8.132 0.125 18262 391 1 . 1 1 88 88 GLY N N 88 107.890 107.890 109.113 -1.223 18262 392 1 . 1 1 88 88 GLY CA C 88 44.884 44.884 44.906 -0.022 18262 393 1 . 1 1 88 88 GLY H H 88 8.100 8.100 8.064 0.036 18262 394 1 . 1 1 89 89 SER N N 89 115.889 115.889 116.122 -0.233 18262 395 1 . 1 1 89 89 SER HA H 89 4.594 4.594 4.479 0.115 18262 396 1 . 1 1 89 89 SER CA C 89 57.382 57.382 57.350 0.032 18262 397 1 . 1 1 89 89 SER CB C 89 65.271 65.271 64.338 0.933 18262 398 1 . 1 1 89 89 SER H H 89 8.474 8.474 8.060 0.414 18262 399 1 . 1 1 90 90 LEU N N 90 124.688 124.688 123.771 0.917 18262 400 1 . 1 1 90 90 LEU HA H 90 4.124 4.124 4.241 -0.117 18262 401 1 . 1 1 90 90 LEU CA C 90 58.560 58.560 56.835 1.725 18262 402 1 . 1 1 90 90 LEU CB C 90 41.418 41.418 41.911 -0.493 18262 403 1 . 1 1 90 90 LEU H H 90 8.867 8.867 8.686 0.181 18262 404 1 . 1 1 91 91 SER N N 91 114.045 114.045 114.496 -0.451 18262 405 1 . 1 1 91 91 SER CA C 91 61.331 61.331 61.689 -0.358 18262 406 1 . 1 1 91 91 SER CB C 91 62.080 62.080 62.818 -0.737 18262 407 1 . 1 1 91 91 SER H H 91 8.501 8.501 8.227 0.274 18262 408 1 . 1 1 92 92 THR N N 92 121.036 121.036 116.649 4.387 18262 409 1 . 1 1 92 92 THR HA H 92 4.006 4.006 4.219 -0.213 18262 410 1 . 1 1 92 92 THR CA C 92 66.537 66.537 65.307 1.230 18262 411 1 . 1 1 92 92 THR CB C 92 68.326 68.326 68.697 -0.371 18262 412 1 . 1 1 92 92 THR H H 92 7.818 7.818 7.843 -0.025 18262 413 1 . 1 1 93 93 LYS N N 93 120.426 120.426 122.165 -1.739 18262 414 1 . 1 1 93 93 LYS HA H 93 3.789 3.789 3.852 -0.063 18262 415 1 . 1 1 93 93 LYS CA C 93 61.114 61.114 59.300 1.814 18262 416 1 . 1 1 93 93 LYS CB C 93 33.469 33.469 31.879 1.590 18262 417 1 . 1 1 93 93 LYS H H 93 8.146 8.146 7.665 0.481 18262 418 1 . 1 1 94 94 THR N N 94 111.775 111.775 112.566 -0.791 18262 419 1 . 1 1 94 94 THR HA H 94 3.933 3.933 4.132 -0.199 18262 420 1 . 1 1 94 94 THR CA C 94 67.228 67.228 66.285 0.943 18262 421 1 . 1 1 94 94 THR CB C 94 68.083 68.083 68.276 -0.193 18262 422 1 . 1 1 94 94 THR H H 94 8.881 8.881 8.172 0.709 18262 423 1 . 1 1 95 95 SER N N 95 119.066 119.066 118.187 0.879 18262 424 1 . 1 1 95 95 SER HA H 95 4.397 4.397 4.168 0.229 18262 425 1 . 1 1 95 95 SER CA C 95 62.060 62.060 62.141 -0.081 18262 426 1 . 1 1 95 95 SER CB C 95 62.693 62.693 62.820 -0.127 18262 427 1 . 1 1 95 95 SER H H 95 8.134 8.134 7.939 0.195 18262 428 1 . 1 1 96 96 SER N N 96 121.588 121.588 118.868 2.720 18262 429 1 . 1 1 96 96 SER HA H 96 4.462 4.462 4.317 0.145 18262 430 1 . 1 1 96 96 SER CA C 96 62.623 62.623 61.818 0.805 18262 431 1 . 1 1 96 96 SER CB C 96 62.866 62.866 63.284 -0.418 18262 432 1 . 1 1 96 96 SER H H 96 8.642 8.642 7.732 0.910 18262 433 1 . 1 1 97 97 ILE N N 97 122.467 122.467 123.404 -0.937 18262 434 1 . 1 1 97 97 ILE HA H 97 3.797 3.797 3.802 -0.005 18262 435 1 . 1 1 97 97 ILE CA C 97 66.834 66.834 65.807 1.027 18262 436 1 . 1 1 97 97 ILE CB C 97 38.715 38.715 37.812 0.903 18262 437 1 . 1 1 97 97 ILE H H 97 8.482 8.482 8.201 0.281 18262 438 1 . 1 1 98 98 ALA N N 98 122.100 122.100 121.824 0.276 18262 439 1 . 1 1 98 98 ALA HA H 98 4.054 4.054 4.047 0.007 18262 440 1 . 1 1 98 98 ALA CA C 98 56.228 56.228 55.472 0.756 18262 441 1 . 1 1 98 98 ALA CB C 98 18.417 18.417 18.218 0.199 18262 442 1 . 1 1 98 98 ALA H H 98 8.437 8.437 8.313 0.124 18262 443 1 . 1 1 99 99 SER N N 99 115.737 115.737 115.127 0.611 18262 444 1 . 1 1 99 99 SER HA H 99 4.366 4.366 4.258 0.108 18262 445 1 . 1 1 99 99 SER CA C 99 62.029 62.029 61.929 0.100 18262 446 1 . 1 1 99 99 SER CB C 99 63.230 63.230 63.040 0.190 18262 447 1 . 1 1 99 99 SER H H 99 8.658 8.658 7.769 0.889 18262 448 1 . 1 1 100 100 ALA N N 100 124.292 124.292 125.295 -1.003 18262 449 1 . 1 1 100 100 ALA HA H 100 4.245 4.245 3.964 0.281 18262 450 1 . 1 1 100 100 ALA CA C 100 55.391 55.391 55.292 0.099 18262 451 1 . 1 1 100 100 ALA CB C 100 18.492 18.492 18.278 0.214 18262 452 1 . 1 1 100 100 ALA H H 100 8.976 8.976 8.487 0.489 18262 453 1 . 1 1 101 101 MET N N 101 119.143 119.143 117.521 1.622 18262 454 1 . 1 1 101 101 MET HA H 101 4.054 4.054 4.069 -0.015 18262 455 1 . 1 1 101 101 MET CA C 101 61.026 61.026 59.731 1.295 18262 456 1 . 1 1 101 101 MET CB C 101 34.483 34.483 32.747 1.736 18262 457 1 . 1 1 101 101 MET H H 101 9.063 9.063 8.238 0.825 18262 458 1 . 1 1 102 102 SER N N 102 116.778 116.778 115.893 0.885 18262 459 1 . 1 1 102 102 SER HA H 102 4.363 4.363 4.258 0.105 18262 460 1 . 1 1 102 102 SER CA C 102 63.348 63.348 62.211 1.137 18262 461 1 . 1 1 102 102 SER CB C 102 62.593 62.593 63.106 -0.513 18262 462 1 . 1 1 102 102 SER H H 102 8.693 8.693 8.178 0.515 18262 463 1 . 1 1 103 103 ASN N N 103 117.982 117.982 119.649 -1.667 18262 464 1 . 1 1 103 103 ASN HA H 103 4.464 4.464 4.539 -0.075 18262 465 1 . 1 1 103 103 ASN CA C 103 56.662 56.662 55.907 0.755 18262 466 1 . 1 1 103 103 ASN CB C 103 38.517 38.517 38.550 -0.033 18262 467 1 . 1 1 103 103 ASN H H 103 8.108 8.108 8.401 -0.293 18262 468 1 . 1 1 104 104 ALA N N 104 122.272 122.272 122.608 -0.336 18262 469 1 . 1 1 104 104 ALA HA H 104 4.240 4.240 4.039 0.201 18262 470 1 . 1 1 104 104 ALA CA C 104 54.843 54.843 55.077 -0.234 18262 471 1 . 1 1 104 104 ALA CB C 104 18.233 18.233 18.318 -0.085 18262 472 1 . 1 1 104 104 ALA H H 104 7.892 7.892 8.013 -0.121 18262 473 1 . 1 1 105 105 PHE N N 105 119.096 119.096 118.837 0.259 18262 474 1 . 1 1 105 105 PHE HA H 105 4.400 4.400 4.585 -0.185 18262 475 1 . 1 1 105 105 PHE CA C 105 63.843 63.843 59.836 4.007 18262 476 1 . 1 1 105 105 PHE CB C 105 39.487 39.487 39.303 0.184 18262 477 1 . 1 1 105 105 PHE H H 105 8.580 8.580 8.432 0.148 18262 478 1 . 1 1 106 106 LEU N N 106 121.540 121.540 118.610 2.930 18262 479 1 . 1 1 106 106 LEU HA H 106 3.736 3.736 4.052 -0.316 18262 480 1 . 1 1 106 106 LEU CA C 106 59.156 59.156 57.694 1.462 18262 481 1 . 1 1 106 106 LEU CB C 106 41.335 41.335 41.626 -0.291 18262 482 1 . 1 1 106 106 LEU H H 106 8.226 8.226 7.679 0.547 18262 483 1 . 1 1 107 107 GLN N N 107 114.603 114.603 117.219 -2.617 18262 484 1 . 1 1 107 107 GLN HA H 107 4.190 4.190 4.264 -0.074 18262 485 1 . 1 1 107 107 GLN CA C 107 57.418 57.418 57.898 -0.480 18262 486 1 . 1 1 107 107 GLN CB C 107 29.491 29.491 28.580 0.911 18262 487 1 . 1 1 107 107 GLN H H 107 8.132 8.132 7.969 0.163 18262 488 1 . 1 1 108 108 THR N N 108 108.290 108.290 111.488 -3.199 18262 489 1 . 1 1 108 108 THR HA H 108 4.518 4.518 4.374 0.144 18262 490 1 . 1 1 108 108 THR CA C 108 62.483 62.483 64.046 -1.563 18262 491 1 . 1 1 108 108 THR CB C 108 70.390 70.390 69.340 1.050 18262 492 1 . 1 1 108 108 THR H H 108 7.726 7.726 7.580 0.146 18262 493 1 . 1 1 109 109 THR N N 109 113.407 113.407 113.334 0.073 18262 494 1 . 1 1 109 109 THR HA H 109 4.586 4.586 4.415 0.171 18262 495 1 . 1 1 109 109 THR CA C 109 62.325 62.325 61.783 0.542 18262 496 1 . 1 1 109 109 THR CB C 109 70.696 70.696 70.052 0.644 18262 497 1 . 1 1 109 109 THR H H 109 8.907 8.907 7.733 1.174 18262 498 1 . 1 1 110 110 GLY N N 110 109.267 109.267 110.442 -1.175 18262 499 1 . 1 1 110 110 GLY CA C 110 45.568 45.568 45.454 0.114 18262 500 1 . 1 1 110 110 GLY H H 110 8.361 8.361 8.191 0.170 18262 501 1 . 1 1 111 111 VAL N N 111 119.375 119.375 120.854 -1.479 18262 502 1 . 1 1 111 111 VAL HA H 111 4.255 4.255 4.290 -0.035 18262 503 1 . 1 1 111 111 VAL CA C 111 60.882 60.882 60.818 0.065 18262 504 1 . 1 1 111 111 VAL CB C 111 35.436 35.436 33.938 1.498 18262 505 1 . 1 1 111 111 VAL H H 111 7.784 7.784 7.468 0.316 18262 506 1 . 1 1 112 112 VAL N N 112 125.327 125.327 124.693 0.634 18262 507 1 . 1 1 112 112 VAL HA H 112 3.212 3.212 4.268 -1.056 18262 508 1 . 1 1 112 112 VAL CA C 112 64.479 64.479 60.669 3.810 18262 509 1 . 1 1 112 112 VAL CB C 112 32.696 32.696 33.839 -1.143 18262 510 1 . 1 1 112 112 VAL H H 112 8.747 8.747 8.221 0.526 18262 511 1 . 1 1 113 113 ASN HA H 113 4.502 4.502 4.788 -0.286 18262 512 1 . 1 1 113 113 ASN CA C 113 50.193 50.193 51.868 -1.675 18262 513 1 . 1 1 113 113 ASN CB C 113 37.122 37.122 38.694 -1.572 18262 514 1 . 1 1 114 114 GLN N N 114 124.067 124.067 127.899 -3.832 18262 515 1 . 1 1 114 114 GLN HA H 114 3.937 3.937 4.313 -0.376 18262 516 1 . 1 1 114 114 GLN CA C 114 59.418 59.418 60.321 -0.903 18262 517 1 . 1 1 114 114 GLN CB C 114 26.547 26.547 27.040 -0.493 18262 518 1 . 1 1 114 114 GLN H H 114 8.394 8.394 8.674 -0.280 18262 519 1 . 1 1 115 115 PRO HA H 115 4.250 4.250 4.196 0.054 18262 520 1 . 1 1 115 115 PRO CA C 115 66.672 66.672 65.956 0.716 18262 521 1 . 1 1 115 115 PRO CB C 115 31.299 31.299 31.142 0.157 18262 522 1 . 1 1 116 116 PHE N N 116 117.820 117.820 118.800 -0.980 18262 523 1 . 1 1 116 116 PHE HA H 116 4.202 4.202 4.188 0.014 18262 524 1 . 1 1 116 116 PHE CA C 116 61.331 61.331 61.412 -0.081 18262 525 1 . 1 1 116 116 PHE CB C 116 39.519 39.519 39.010 0.509 18262 526 1 . 1 1 116 116 PHE H H 116 7.268 7.268 8.186 -0.918 18262 527 1 . 1 1 117 117 ILE N N 117 119.434 119.434 119.431 0.003 18262 528 1 . 1 1 117 117 ILE HA H 117 3.534 3.534 3.388 0.146 18262 529 1 . 1 1 117 117 ILE CA C 117 65.747 65.747 65.066 0.681 18262 530 1 . 1 1 117 117 ILE CB C 117 38.195 38.195 37.578 0.617 18262 531 1 . 1 1 117 117 ILE H H 117 7.641 7.641 7.830 -0.189 18262 532 1 . 1 1 118 118 ASN N N 118 119.834 119.834 118.378 1.456 18262 533 1 . 1 1 118 118 ASN HA H 118 4.313 4.313 4.531 -0.218 18262 534 1 . 1 1 118 118 ASN CA C 118 55.701 55.701 55.550 0.151 18262 535 1 . 1 1 118 118 ASN CB C 118 37.521 37.521 37.993 -0.472 18262 536 1 . 1 1 118 118 ASN H H 118 8.985 8.985 8.486 0.499 18262 537 1 . 1 1 119 119 GLU N N 119 121.164 121.164 121.276 -0.112 18262 538 1 . 1 1 119 119 GLU HA H 119 4.023 4.023 4.116 -0.093 18262 539 1 . 1 1 119 119 GLU CA C 119 59.637 59.637 59.058 0.579 18262 540 1 . 1 1 119 119 GLU CB C 119 29.716 29.716 29.694 0.022 18262 541 1 . 1 1 119 119 GLU H H 119 8.090 8.090 7.926 0.164 18262 542 1 . 1 1 120 120 ILE N N 120 117.906 117.906 119.067 -1.161 18262 543 1 . 1 1 120 120 ILE HA H 120 3.754 3.754 3.657 0.097 18262 544 1 . 1 1 120 120 ILE CA C 120 62.968 62.968 64.103 -1.135 18262 545 1 . 1 1 120 120 ILE CB C 120 35.814 35.814 36.695 -0.881 18262 546 1 . 1 1 120 120 ILE H H 120 8.025 8.025 8.357 -0.332 18262 547 1 . 1 1 121 121 THR N N 121 112.720 112.720 113.071 -0.351 18262 548 1 . 1 1 121 121 THR HA H 121 3.767 3.767 3.911 -0.144 18262 549 1 . 1 1 121 121 THR CA C 121 67.203 67.203 66.449 0.754 18262 550 1 . 1 1 121 121 THR CB C 121 68.380 68.380 68.205 0.175 18262 551 1 . 1 1 121 121 THR H H 121 8.665 8.665 8.012 0.653 18262 552 1 . 1 1 122 122 GLN N N 122 123.165 123.165 121.416 1.749 18262 553 1 . 1 1 122 122 GLN HA H 122 4.088 4.088 4.128 -0.040 18262 554 1 . 1 1 122 122 GLN CA C 122 59.262 59.262 58.430 0.832 18262 555 1 . 1 1 122 122 GLN CB C 122 28.161 28.161 28.412 -0.251 18262 556 1 . 1 1 122 122 GLN H H 122 8.128 8.128 7.553 0.575 18262 557 1 . 1 1 123 123 LEU N N 123 120.702 120.702 121.079 -0.377 18262 558 1 . 1 1 123 123 LEU HA H 123 3.923 3.923 3.609 0.314 18262 559 1 . 1 1 123 123 LEU CA C 123 58.118 58.118 58.042 0.075 18262 560 1 . 1 1 123 123 LEU CB C 123 42.990 42.990 41.418 1.572 18262 561 1 . 1 1 123 123 LEU H H 123 8.173 8.173 8.240 -0.067 18262 562 1 . 1 1 124 124 VAL N N 124 118.840 118.840 118.814 0.026 18262 563 1 . 1 1 124 124 VAL HA H 124 3.615 3.615 3.811 -0.196 18262 564 1 . 1 1 124 124 VAL CA C 124 67.324 67.324 66.464 0.860 18262 565 1 . 1 1 124 124 VAL CB C 124 31.553 31.553 31.198 0.355 18262 566 1 . 1 1 124 124 VAL H H 124 8.742 8.742 8.573 0.169 18262 567 1 . 1 1 125 125 SER N N 125 112.613 112.613 115.116 -2.503 18262 568 1 . 1 1 125 125 SER HA H 125 4.050 4.050 4.124 -0.074 18262 569 1 . 1 1 125 125 SER CA C 125 62.568 62.568 61.816 0.752 18262 570 1 . 1 1 125 125 SER CB C 125 62.960 62.960 62.911 0.049 18262 571 1 . 1 1 125 125 SER H H 125 7.883 7.883 7.630 0.253 18262 572 1 . 1 1 126 126 MET N N 126 120.939 120.939 121.468 -0.529 18262 573 1 . 1 1 126 126 MET HA H 126 4.052 4.052 4.131 -0.079 18262 574 1 . 1 1 126 126 MET CA C 126 59.009 59.009 57.929 1.080 18262 575 1 . 1 1 126 126 MET CB C 126 32.780 32.780 32.151 0.629 18262 576 1 . 1 1 126 126 MET H H 126 8.091 8.091 7.958 0.133 18262 577 1 . 1 1 127 127 PHE N N 127 118.732 118.732 117.967 0.765 18262 578 1 . 1 1 127 127 PHE HA H 127 4.465 4.465 4.273 0.192 18262 579 1 . 1 1 127 127 PHE CA C 127 60.596 60.596 60.170 0.426 18262 580 1 . 1 1 127 127 PHE CB C 127 38.911 38.911 37.877 1.034 18262 581 1 . 1 1 127 127 PHE H H 127 8.755 8.755 8.359 0.396 18262 582 1 . 1 1 128 128 ALA N N 128 121.647 121.647 121.082 0.565 18262 583 1 . 1 1 128 128 ALA HA H 128 4.217 4.217 4.078 0.139 18262 584 1 . 1 1 128 128 ALA CA C 128 54.504 54.504 54.490 0.014 18262 585 1 . 1 1 128 128 ALA CB C 128 19.557 19.557 18.646 0.911 18262 586 1 . 1 1 128 128 ALA H H 128 8.638 8.638 7.900 0.738 18262 587 1 . 1 1 129 129 GLN N N 129 115.892 115.892 117.666 -1.774 18262 588 1 . 1 1 129 129 GLN HA H 129 4.223 4.223 4.197 0.026 18262 589 1 . 1 1 129 129 GLN CA C 129 57.240 57.240 57.623 -0.383 18262 590 1 . 1 1 129 129 GLN CB C 129 29.377 29.377 29.254 0.123 18262 591 1 . 1 1 129 129 GLN H H 129 7.789 7.789 7.843 -0.054 18262 592 1 . 1 1 130 130 ALA N N 130 122.349 122.349 120.409 1.940 18262 593 1 . 1 1 130 130 ALA HA H 130 4.271 4.271 4.312 -0.041 18262 594 1 . 1 1 130 130 ALA CA C 130 53.907 53.907 52.200 1.707 18262 595 1 . 1 1 130 130 ALA CB C 130 18.985 18.985 18.439 0.546 18262 596 1 . 1 1 130 130 ALA H H 130 7.791 7.791 8.064 -0.273 18262 597 1 . 1 1 131 131 GLY N N 131 106.497 106.497 106.715 -0.218 18262 598 1 . 1 1 131 131 GLY CA C 131 45.772 45.772 45.211 0.561 18262 599 1 . 1 1 131 131 GLY H H 131 8.157 8.157 8.220 -0.063 18262 600 1 . 1 1 132 132 MET N N 132 119.229 119.229 117.429 1.800 18262 601 1 . 1 1 132 132 MET HA H 132 4.473 4.473 4.571 -0.098 18262 602 1 . 1 1 132 132 MET CA C 132 55.973 55.973 55.312 0.661 18262 603 1 . 1 1 132 132 MET CB C 132 33.129 33.129 33.134 -0.005 18262 604 1 . 1 1 132 132 MET H H 132 7.929 7.929 7.770 0.159 18262 605 1 . 1 1 133 133 ASN N N 133 118.982 118.982 119.725 -0.743 18262 606 1 . 1 1 133 133 ASN HA H 133 4.741 4.741 4.756 -0.015 18262 607 1 . 1 1 133 133 ASN CA C 133 53.368 53.368 53.325 0.043 18262 608 1 . 1 1 133 133 ASN CB C 133 39.349 39.349 39.832 -0.483 18262 609 1 . 1 1 133 133 ASN H H 133 8.334 8.334 8.081 0.253 18262 610 1 . 1 1 134 134 ASP N N 134 120.983 120.983 123.230 -2.247 18262 611 1 . 1 1 134 134 ASP HA H 134 4.643 4.643 4.675 -0.032 18262 612 1 . 1 1 134 134 ASP CA C 134 54.507 54.507 54.270 0.237 18262 613 1 . 1 1 134 134 ASP CB C 134 41.283 41.283 40.638 0.645 18262 614 1 . 1 1 134 134 ASP H H 134 8.282 8.282 8.506 -0.224 18262 615 1 . 1 1 135 135 VAL N N 135 119.922 119.922 120.521 -0.599 18262 616 1 . 1 1 135 135 VAL HA H 135 4.197 4.197 4.141 0.056 18262 617 1 . 1 1 135 135 VAL CA C 135 62.327 62.327 63.016 -0.689 18262 618 1 . 1 1 135 135 VAL CB C 135 32.714 32.714 32.189 0.525 18262 619 1 . 1 1 135 135 VAL H H 135 8.080 8.080 7.968 0.112 18262 620 1 . 1 1 136 136 SER N N 136 119.994 119.994 117.492 2.502 18262 621 1 . 1 1 136 136 SER HA H 136 4.459 4.459 4.345 0.114 18262 622 1 . 1 1 136 136 SER CA C 136 58.412 58.412 58.778 -0.366 18262 623 1 . 1 1 136 136 SER CB C 136 64.068 64.068 62.793 1.275 18262 624 1 . 1 1 136 136 SER H H 136 8.397 8.397 8.494 -0.097 18262 stop_ save_