data_25573 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25573 _Entry.PDB_ID 2N1R 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 25573 _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 ASN N N 3 119.366 119.366 123.208 -3.842 25573 2 1 1 . 1 1 3 3 ASN HA H 3 4.583 4.583 5.010 -0.427 25573 3 1 1 . 1 1 3 3 ASN CA C 3 51.391 51.391 52.512 -1.121 25573 4 1 1 . 1 1 3 3 ASN CB C 3 35.712 35.712 37.080 -1.368 25573 5 1 1 . 1 1 3 3 ASN H H 3 8.596 8.596 8.485 0.111 25573 6 1 1 . 1 1 4 4 GLY N N 4 112.829 112.829 110.230 2.599 25573 7 1 1 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.156 -2.454 25573 8 1 1 . 1 1 4 4 GLY H H 4 8.073 8.073 8.000 0.073 25573 9 1 1 . 1 1 5 5 ALA N N 5 123.630 123.630 121.935 1.695 25573 10 1 1 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.689 -0.286 25573 11 1 1 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.620 -2.980 25573 12 1 1 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.859 -3.445 25573 13 1 1 . 1 1 5 5 ALA H H 5 8.008 8.008 8.374 -0.366 25573 14 1 1 . 1 1 6 6 SER N N 6 114.866 114.866 113.954 0.912 25573 15 1 1 . 1 1 6 6 SER HA H 6 4.270 4.270 4.780 -0.510 25573 16 1 1 . 1 1 6 6 SER CA C 6 56.023 56.023 57.752 -1.729 25573 17 1 1 . 1 1 6 6 SER CB C 6 60.936 60.936 64.816 -3.880 25573 18 1 1 . 1 1 6 6 SER H H 6 8.293 8.293 8.090 0.203 25573 19 1 1 . 1 1 7 7 ARG N N 7 119.250 119.250 123.366 -4.116 25573 20 1 1 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.445 0.061 25573 21 1 1 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.147 0.275 25573 22 1 1 . 1 1 7 7 ARG H H 7 8.305 8.305 8.638 -0.333 25573 23 1 1 . 1 1 8 8 ASP N N 8 119.662 119.662 118.549 1.113 25573 24 1 1 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.450 -0.297 25573 25 1 1 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.682 -1.128 25573 26 1 1 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.159 -13.658 25573 27 1 1 . 1 1 8 8 ASP H H 8 7.915 7.915 8.801 -0.886 25573 28 1 1 . 1 1 9 9 TRP N N 9 121.861 121.861 121.985 -0.124 25573 29 1 1 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.499 -0.383 25573 30 1 1 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.878 -3.916 25573 31 1 1 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.709 -1.687 25573 32 1 1 . 1 1 9 9 TRP H H 9 8.222 8.222 7.877 0.345 25573 33 1 1 . 1 1 10 10 LYS N N 10 118.681 118.681 119.412 -0.731 25573 34 1 1 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.957 0.325 25573 35 1 1 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.669 -0.770 25573 36 1 1 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.377 -4.338 25573 37 1 1 . 1 1 10 10 LYS H H 10 8.003 8.003 8.351 -0.348 25573 38 1 1 . 1 1 11 11 MET N N 11 119.366 119.366 118.646 0.720 25573 39 1 1 . 1 1 11 11 MET HA H 11 4.559 4.559 4.187 0.372 25573 40 1 1 . 1 1 11 11 MET CA C 11 53.485 53.485 58.088 -4.603 25573 41 1 1 . 1 1 11 11 MET H H 11 8.041 8.041 8.161 -0.120 25573 42 1 1 . 1 1 12 12 ALA N N 12 122.650 122.650 122.490 0.160 25573 43 1 1 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.031 0.178 25573 44 1 1 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.882 4.917 25573 45 1 1 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.145 -0.374 25573 46 1 1 . 1 1 12 12 ALA H H 12 7.904 7.904 7.856 0.048 25573 47 1 1 . 1 1 13 13 ILE N N 13 117.322 117.322 118.201 -0.879 25573 48 1 1 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.255 1.323 25573 49 1 1 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.686 -7.783 25573 50 1 1 . 1 1 13 13 ILE H H 13 8.380 8.380 7.813 0.567 25573 51 1 1 . 1 1 15 15 ARG CA C 15 59.916 59.916 59.350 0.566 25573 52 1 1 . 1 1 16 16 CYS N N 16 116.263 116.263 119.472 -3.209 25573 53 1 1 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.111 -0.066 25573 54 1 1 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.679 -2.895 25573 55 1 1 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.819 1.991 25573 56 1 1 . 1 1 16 16 CYS H H 16 7.799 7.799 7.996 -0.197 25573 57 1 1 . 1 1 17 17 SER N N 17 114.606 114.606 115.399 -0.793 25573 58 1 1 . 1 1 17 17 SER HA H 17 4.952 4.952 4.445 0.507 25573 59 1 1 . 1 1 17 17 SER CA C 17 58.171 58.171 61.171 -3.000 25573 60 1 1 . 1 1 17 17 SER CB C 17 60.740 60.740 62.911 -2.171 25573 61 1 1 . 1 1 17 17 SER H H 17 7.830 7.830 8.313 -0.483 25573 62 1 1 . 1 1 18 18 ASN N N 18 116.143 116.143 119.623 -3.480 25573 63 1 1 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.852 0.156 25573 64 1 1 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.038 -2.563 25573 65 1 1 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.992 -1.703 25573 66 1 1 . 1 1 18 18 ASN H H 18 7.557 7.557 8.107 -0.550 25573 67 1 1 . 1 1 19 19 VAL N N 19 121.616 121.616 119.445 2.171 25573 68 1 1 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.219 -0.720 25573 69 1 1 . 1 1 19 19 VAL CA C 19 59.730 59.730 61.507 -1.777 25573 70 1 1 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.645 -5.603 25573 71 1 1 . 1 1 19 19 VAL H H 19 7.919 7.919 7.688 0.231 25573 72 1 1 . 1 1 20 20 ALA N N 20 129.139 129.139 128.084 1.055 25573 73 1 1 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.863 -0.068 25573 74 1 1 . 1 1 20 20 ALA C C 20 169.500 169.500 177.565 -8.065 25573 75 1 1 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.280 -0.865 25573 76 1 1 . 1 1 20 20 ALA CB C 20 17.716 17.716 20.995 -3.279 25573 77 1 1 . 1 1 20 20 ALA H H 20 8.150 8.150 8.190 -0.040 25573 78 1 1 . 1 1 21 21 VAL N N 21 120.390 120.390 118.984 1.406 25573 79 1 1 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.810 -0.043 25573 80 1 1 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.706 -1.128 25573 81 1 1 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.864 -2.118 25573 82 1 1 . 1 1 21 21 VAL H H 21 8.319 8.319 7.893 0.426 25573 83 1 1 . 1 1 22 22 GLY N N 22 108.884 108.884 106.195 2.689 25573 84 1 1 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.271 -2.303 25573 85 1 1 . 1 1 22 22 GLY H H 22 8.221 8.221 7.803 0.418 25573 86 1 1 . 1 1 23 23 VAL N N 23 117.439 117.439 117.111 0.328 25573 87 1 1 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.411 -0.173 25573 88 1 1 . 1 1 23 23 VAL CA C 23 59.088 59.088 62.818 -3.729 25573 89 1 1 . 1 1 23 23 VAL CB C 23 30.434 30.434 33.141 -2.707 25573 90 1 1 . 1 1 23 23 VAL H H 23 8.003 8.003 8.002 0.001 25573 91 1 1 . 1 1 24 24 GLY N N 24 112.616 112.616 107.523 5.093 25573 92 1 1 . 1 1 24 24 GLY CA C 24 42.779 42.779 45.658 -2.879 25573 93 1 1 . 1 1 24 24 GLY H H 24 8.716 8.716 8.490 0.226 25573 94 1 1 . 1 1 25 25 GLY N N 25 108.753 108.753 107.737 1.016 25573 95 1 1 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.160 -3.160 25573 96 1 1 . 1 1 25 25 GLY H H 25 8.286 8.286 7.931 0.355 25573 97 1 1 . 1 1 26 26 LYS HA H 26 4.376 4.376 3.939 0.437 25573 98 1 1 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.786 -3.274 25573 99 1 1 . 1 1 27 27 SER HA H 27 4.922 4.922 4.368 0.554 25573 100 1 1 . 1 1 27 27 SER CA C 27 56.876 56.876 57.775 -0.899 25573 101 1 1 . 1 1 27 27 SER CB C 27 64.578 64.578 63.972 0.606 25573 102 1 1 . 1 1 27 27 SER H H 27 7.831 7.831 8.080 -0.249 25573 103 1 1 . 1 1 28 28 LYS N N 28 122.919 122.919 123.973 -1.054 25573 104 1 1 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.392 -0.208 25573 105 1 1 . 1 1 28 28 LYS CA C 28 56.539 56.539 56.030 0.509 25573 106 1 1 . 1 1 28 28 LYS CB C 28 33.366 33.366 33.090 0.276 25573 107 1 1 . 1 1 28 28 LYS H H 28 8.589 8.589 8.178 0.411 25573 108 1 1 . 1 1 29 29 LYS N N 29 120.917 120.917 122.886 -1.969 25573 109 1 1 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.831 -0.448 25573 110 1 1 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.117 -1.582 25573 111 1 1 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.864 -2.788 25573 112 1 1 . 1 1 29 29 LYS H H 29 8.471 8.471 8.166 0.305 25573 113 1 1 . 1 1 30 30 PHE N N 30 119.366 119.366 119.969 -0.603 25573 114 1 1 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.475 -0.617 25573 115 1 1 . 1 1 30 30 PHE CA C 30 58.172 58.172 58.177 -0.005 25573 116 1 1 . 1 1 30 30 PHE CB C 30 38.242 38.242 39.872 -1.630 25573 117 1 1 . 1 1 30 30 PHE H H 30 8.000 8.000 8.182 -0.182 25573 118 1 1 . 1 1 31 31 GLY N N 31 106.991 106.991 104.984 2.007 25573 119 1 1 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.617 -3.681 25573 120 1 1 . 1 1 31 31 GLY H H 31 8.404 8.404 7.587 0.817 25573 121 1 1 . 1 1 32 32 GLU N N 32 120.491 120.491 119.481 1.010 25573 122 1 1 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.197 -0.085 25573 123 1 1 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.382 -1.211 25573 124 1 1 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.302 -1.996 25573 125 1 1 . 1 1 32 32 GLU H H 32 9.168 9.168 8.877 0.291 25573 126 1 1 . 1 1 33 33 GLY N N 33 109.241 109.241 106.809 2.432 25573 127 1 1 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.744 -3.153 25573 128 1 1 . 1 1 33 33 GLY H H 33 8.613 8.613 8.511 0.102 25573 129 1 1 . 1 1 34 34 ASN N N 34 118.241 118.241 121.046 -2.805 25573 130 1 1 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.546 -0.508 25573 131 1 1 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.295 -0.832 25573 132 1 1 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.145 -1.751 25573 133 1 1 . 1 1 34 34 ASN H H 34 7.897 7.897 7.377 0.520 25573 134 1 1 . 1 1 35 35 PHE N N 35 117.116 117.116 118.797 -1.681 25573 135 1 1 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.257 -0.169 25573 136 1 1 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.311 -0.999 25573 137 1 1 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.584 -1.756 25573 138 1 1 . 1 1 35 35 PHE H H 35 7.180 7.180 7.590 -0.410 25573 139 1 1 . 1 1 36 36 ARG N N 36 117.825 117.825 118.873 -1.048 25573 140 1 1 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.092 -0.520 25573 141 1 1 . 1 1 36 36 ARG CA C 36 58.242 58.242 58.934 -0.693 25573 142 1 1 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.121 4.876 25573 143 1 1 . 1 1 36 36 ARG H H 36 8.278 8.278 8.370 -0.092 25573 144 1 1 . 1 1 37 37 TRP N N 37 118.845 118.845 122.484 -3.639 25573 145 1 1 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.267 -0.133 25573 146 1 1 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.457 -2.557 25573 147 1 1 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.493 -2.044 25573 148 1 1 . 1 1 37 37 TRP H H 37 8.106 8.106 7.882 0.224 25573 149 1 1 . 1 1 38 38 ALA N N 38 119.609 119.609 122.291 -2.682 25573 150 1 1 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.547 0.882 25573 151 1 1 . 1 1 38 38 ALA CA C 38 52.894 52.894 55.106 -2.212 25573 152 1 1 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.577 -2.178 25573 153 1 1 . 1 1 38 38 ALA H H 38 8.332 8.332 8.078 0.254 25573 154 1 1 . 1 1 39 39 ILE N N 39 114.866 114.866 119.529 -4.663 25573 155 1 1 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.602 0.762 25573 156 1 1 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.105 -10.521 25573 157 1 1 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.739 -6.247 25573 158 1 1 . 1 1 39 39 ILE H H 39 8.161 8.161 8.307 -0.146 25573 159 1 1 . 1 1 40 40 ARG N N 40 120.240 120.240 119.194 1.046 25573 160 1 1 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.817 0.249 25573 161 1 1 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.223 -2.584 25573 162 1 1 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.696 0.113 25573 163 1 1 . 1 1 40 40 ARG H H 40 8.446 8.446 8.193 0.253 25573 164 1 1 . 1 1 41 41 MET HA H 41 4.305 4.305 3.902 0.403 25573 165 1 1 . 1 1 41 41 MET CA C 41 53.585 53.585 58.494 -4.909 25573 166 1 1 . 1 1 41 41 MET CB C 41 29.902 29.902 32.035 -2.132 25573 167 1 1 . 1 1 42 42 ALA N N 42 122.782 122.782 121.079 1.703 25573 168 1 1 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.997 0.551 25573 169 1 1 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.688 -2.412 25573 170 1 1 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.263 -1.403 25573 171 1 1 . 1 1 42 42 ALA H H 42 8.556 8.556 8.404 0.152 25573 172 1 1 . 1 1 43 43 ASN N N 43 119.366 119.366 117.093 2.273 25573 173 1 1 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.428 0.266 25573 174 1 1 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.341 -6.004 25573 175 1 1 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.659 -2.968 25573 176 1 1 . 1 1 43 43 ASN H H 43 8.613 8.613 8.315 0.298 25573 177 1 1 . 1 1 44 44 VAL N N 44 118.466 118.466 119.547 -1.081 25573 178 1 1 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.695 0.204 25573 179 1 1 . 1 1 44 44 VAL CA C 44 63.094 63.094 66.557 -3.463 25573 180 1 1 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.704 -2.783 25573 181 1 1 . 1 1 44 44 VAL H H 44 8.464 8.464 7.704 0.760 25573 182 1 1 . 1 1 45 45 SER N N 45 113.763 113.763 114.849 -1.086 25573 183 1 1 . 1 1 45 45 SER HA H 45 4.328 4.328 4.078 0.250 25573 184 1 1 . 1 1 45 45 SER CA C 45 58.553 58.553 61.225 -2.672 25573 185 1 1 . 1 1 45 45 SER CB C 45 61.343 61.343 62.990 -1.647 25573 186 1 1 . 1 1 45 45 SER H H 45 7.963 7.963 8.073 -0.110 25573 187 1 1 . 1 1 46 46 THR N N 46 106.729 106.729 109.565 -2.836 25573 188 1 1 . 1 1 46 46 THR HA H 46 4.602 4.602 4.569 0.033 25573 189 1 1 . 1 1 46 46 THR CA C 46 58.026 58.026 60.400 -2.374 25573 190 1 1 . 1 1 46 46 THR CB C 46 67.285 67.285 69.002 -1.717 25573 191 1 1 . 1 1 46 46 THR H H 46 7.560 7.560 7.845 -0.285 25573 192 1 1 . 1 1 47 47 GLY N N 47 109.384 109.384 110.574 -1.190 25573 193 1 1 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.877 -2.068 25573 194 1 1 . 1 1 47 47 GLY H H 47 7.539 7.539 7.913 -0.374 25573 195 1 1 . 1 1 48 48 ARG N N 48 120.563 120.563 120.294 0.269 25573 196 1 1 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.903 0.450 25573 197 1 1 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.108 -4.769 25573 198 1 1 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.150 0.610 25573 199 1 1 . 1 1 48 48 ARG H H 48 8.220 8.220 7.757 0.463 25573 200 1 1 . 1 1 49 49 GLU N N 49 122.874 122.874 116.016 6.858 25573 201 1 1 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.497 -0.175 25573 202 1 1 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.592 -0.458 25573 203 1 1 . 1 1 49 49 GLU CB C 49 29.104 29.104 32.002 -2.898 25573 204 1 1 . 1 1 49 49 GLU H H 49 8.661 8.661 7.924 0.737 25573 205 1 1 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.093 1.801 25573 206 1 1 . 1 1 51 51 GLY N N 51 102.859 102.859 108.723 -5.864 25573 207 1 1 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.982 -2.905 25573 208 1 1 . 1 1 51 51 GLY H H 51 8.368 8.368 8.299 0.069 25573 209 1 1 . 1 1 52 52 ASP N N 52 120.491 120.491 121.455 -0.964 25573 210 1 1 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.730 -0.350 25573 211 1 1 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.978 -2.297 25573 212 1 1 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.402 -4.601 25573 213 1 1 . 1 1 52 52 ASP H H 52 7.204 7.204 7.858 -0.654 25573 214 1 1 . 1 1 53 53 ILE N N 53 127.662 127.662 115.330 12.332 25573 215 1 1 . 1 1 53 53 ILE HA H 53 4.530 4.530 5.108 -0.578 25573 216 1 1 . 1 1 53 53 ILE CA C 53 54.127 54.127 57.569 -3.442 25573 217 1 1 . 1 1 53 53 ILE CB C 53 35.495 35.495 39.416 -3.921 25573 218 1 1 . 1 1 53 53 ILE H H 53 8.255 8.255 7.516 0.739 25573 219 1 1 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.634 -0.148 25573 220 1 1 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.785 -2.666 25573 221 1 1 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.781 -3.986 25573 222 1 1 . 1 1 55 55 GLU N N 55 117.116 117.116 120.512 -3.396 25573 223 1 1 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.381 0.125 25573 224 1 1 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.672 -2.389 25573 225 1 1 . 1 1 55 55 GLU CB C 55 29.682 29.682 30.733 -1.051 25573 226 1 1 . 1 1 55 55 GLU H H 55 8.580 8.580 8.809 -0.229 25573 227 1 1 . 1 1 56 56 THR N N 56 105.122 105.122 111.548 -6.426 25573 228 1 1 . 1 1 56 56 THR HA H 56 4.832 4.832 4.497 0.335 25573 229 1 1 . 1 1 56 56 THR CA C 56 55.381 55.381 60.768 -5.387 25573 230 1 1 . 1 1 56 56 THR CB C 56 70.771 70.771 71.577 -0.806 25573 231 1 1 . 1 1 56 56 THR H H 56 7.367 7.367 7.588 -0.221 25573 232 1 1 . 1 1 57 57 LEU N N 57 122.564 122.564 123.820 -1.256 25573 233 1 1 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.913 0.519 25573 234 1 1 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.856 -2.447 25573 235 1 1 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.030 -4.169 25573 236 1 1 . 1 1 57 57 LEU H H 57 9.222 9.222 8.855 0.367 25573 237 1 1 . 1 1 58 58 ASP N N 58 119.366 119.366 118.379 0.987 25573 238 1 1 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.778 0.502 25573 239 1 1 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.633 -3.276 25573 240 1 1 . 1 1 58 58 ASP H H 58 8.570 8.570 8.402 0.168 25573 241 1 1 . 1 1 59 59 GLN N N 59 118.241 118.241 119.660 -1.419 25573 242 1 1 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.016 0.016 25573 243 1 1 . 1 1 59 59 GLN CA C 59 55.917 55.917 59.006 -3.089 25573 244 1 1 . 1 1 59 59 GLN CB C 59 26.074 26.074 29.023 -2.949 25573 245 1 1 . 1 1 59 59 GLN H H 59 7.823 7.823 7.598 0.225 25573 246 1 1 . 1 1 60 60 LEU N N 60 121.691 121.691 120.551 1.140 25573 247 1 1 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.992 0.087 25573 248 1 1 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.220 -2.949 25573 249 1 1 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.861 5.776 25573 250 1 1 . 1 1 60 60 LEU H H 60 8.187 8.187 8.286 -0.099 25573 251 1 1 . 1 1 61 61 ARG N N 61 117.960 117.960 119.995 -2.035 25573 252 1 1 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.198 -0.132 25573 253 1 1 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.355 -3.173 25573 254 1 1 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.941 -1.025 25573 255 1 1 . 1 1 61 61 ARG H H 61 9.133 9.133 7.901 1.232 25573 256 1 1 . 1 1 62 62 LEU N N 62 118.408 118.408 120.089 -1.681 25573 257 1 1 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.148 -0.122 25573 258 1 1 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.215 -1.135 25573 259 1 1 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.171 -2.807 25573 260 1 1 . 1 1 62 62 LEU H H 62 7.817 7.817 7.922 -0.105 25573 261 1 1 . 1 1 63 63 VAL N N 63 119.177 119.177 119.727 -0.550 25573 262 1 1 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.626 -0.089 25573 263 1 1 . 1 1 63 63 VAL CA C 63 64.501 64.501 66.801 -2.300 25573 264 1 1 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.013 -2.129 25573 265 1 1 . 1 1 63 63 VAL H H 63 7.368 7.368 7.692 -0.324 25573 266 1 1 . 1 1 64 64 ILE N N 64 119.068 119.068 120.275 -1.207 25573 267 1 1 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.651 -0.111 25573 268 1 1 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.646 -1.165 25573 269 1 1 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.605 -2.893 25573 270 1 1 . 1 1 64 64 ILE H H 64 8.320 8.320 8.171 0.149 25573 271 1 1 . 1 1 65 65 CYS N N 65 119.131 119.131 119.082 0.049 25573 272 1 1 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.016 0.314 25573 273 1 1 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.997 -2.089 25573 274 1 1 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.443 -2.551 25573 275 1 1 . 1 1 65 65 CYS H H 65 9.076 9.076 7.876 1.200 25573 276 1 1 . 1 1 66 66 ASP N N 66 120.537 120.537 120.315 0.222 25573 277 1 1 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.508 -0.196 25573 278 1 1 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.182 0.582 25573 279 1 1 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.393 -2.208 25573 280 1 1 . 1 1 66 66 ASP H H 66 8.512 8.512 8.175 0.337 25573 281 1 1 . 1 1 67 67 LEU N N 67 119.364 119.364 122.244 -2.880 25573 282 1 1 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.992 -0.022 25573 283 1 1 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.284 -1.298 25573 284 1 1 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.384 -8.638 25573 285 1 1 . 1 1 67 67 LEU H H 67 8.971 8.971 8.258 0.713 25573 286 1 1 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.137 0.292 25573 287 1 1 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.046 -3.281 25573 288 1 1 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.235 0.566 25573 289 1 1 . 1 1 70 70 ARG N N 70 122.186 122.186 119.836 2.350 25573 290 1 1 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.078 0.408 25573 291 1 1 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.230 -6.697 25573 292 1 1 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.020 0.321 25573 293 1 1 . 1 1 70 70 ARG H H 70 8.345 8.345 8.297 0.048 25573 294 1 1 . 1 1 71 71 ARG N N 71 121.616 121.616 118.365 3.251 25573 295 1 1 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.098 -1.474 25573 296 1 1 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.707 -4.528 25573 297 1 1 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.597 0.410 25573 298 1 1 . 1 1 71 71 ARG H H 71 8.480 8.480 7.974 0.506 25573 299 1 1 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.053 0.019 25573 300 1 1 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.939 -2.963 25573 301 1 1 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.485 -1.733 25573 302 1 1 . 1 1 74 74 PHE N N 74 115.001 115.001 117.951 -2.950 25573 303 1 1 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.326 0.496 25573 304 1 1 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.727 -3.606 25573 305 1 1 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.641 -3.054 25573 306 1 1 . 1 1 74 74 PHE H H 74 8.530 8.530 7.773 0.757 25573 307 1 1 . 1 1 75 75 GLY N N 75 110.366 110.366 106.189 4.177 25573 308 1 1 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.287 -2.283 25573 309 1 1 . 1 1 75 75 GLY H H 75 7.799 7.799 7.554 0.245 25573 310 1 1 . 1 1 76 76 SER N N 76 113.283 113.283 115.524 -2.241 25573 311 1 1 . 1 1 76 76 SER HA H 76 4.523 4.523 4.704 -0.181 25573 312 1 1 . 1 1 76 76 SER CA C 76 54.361 54.361 57.316 -2.955 25573 313 1 1 . 1 1 76 76 SER CB C 76 61.887 61.887 64.322 -2.435 25573 314 1 1 . 1 1 76 76 SER H H 76 8.417 8.417 8.451 -0.034 25573 315 1 1 . 1 1 77 77 SER N N 77 114.950 114.950 118.735 -3.785 25573 316 1 1 . 1 1 77 77 SER HA H 77 4.535 4.535 4.700 -0.166 25573 317 1 1 . 1 1 77 77 SER CA C 77 53.833 53.833 57.894 -4.061 25573 318 1 1 . 1 1 77 77 SER CB C 77 63.488 63.488 64.684 -1.196 25573 319 1 1 . 1 1 77 77 SER H H 77 8.428 8.428 8.524 -0.096 25573 320 1 1 . 1 1 78 78 LYS N N 78 122.032 122.032 122.751 -0.719 25573 321 1 1 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.990 0.685 25573 322 1 1 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.722 -5.595 25573 323 1 1 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.349 -3.114 25573 324 1 1 . 1 1 78 78 LYS H H 78 9.044 9.044 8.907 0.137 25573 325 1 1 . 1 1 79 79 GLU N N 79 118.232 118.232 118.276 -0.044 25573 326 1 1 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.207 0.085 25573 327 1 1 . 1 1 79 79 GLU CA C 79 58.104 58.104 58.801 -0.697 25573 328 1 1 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.298 -2.452 25573 329 1 1 . 1 1 79 79 GLU H H 79 8.795 8.795 7.782 1.013 25573 330 1 1 . 1 1 80 80 ILE N N 80 120.491 120.491 121.416 -0.925 25573 331 1 1 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.854 -0.125 25573 332 1 1 . 1 1 80 80 ILE CA C 80 62.466 62.466 63.475 -1.009 25573 333 1 1 . 1 1 80 80 ILE CB C 80 36.109 36.109 36.992 -0.883 25573 334 1 1 . 1 1 80 80 ILE H H 80 7.892 7.892 7.844 0.048 25573 335 1 1 . 1 1 81 81 ASP N N 81 120.491 120.491 120.442 0.049 25573 336 1 1 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.367 -0.061 25573 337 1 1 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.555 -2.181 25573 338 1 1 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.342 -2.966 25573 339 1 1 . 1 1 81 81 ASP H H 81 8.424 8.424 8.459 -0.035 25573 340 1 1 . 1 1 82 82 MET N N 82 118.588 118.588 119.070 -0.482 25573 341 1 1 . 1 1 82 82 MET HA H 82 4.610 4.610 4.009 0.601 25573 342 1 1 . 1 1 82 82 MET CA C 82 54.472 54.472 59.704 -5.232 25573 343 1 1 . 1 1 82 82 MET CB C 82 29.557 29.557 32.549 -2.992 25573 344 1 1 . 1 1 82 82 MET H H 82 8.215 8.215 8.141 0.074 25573 345 1 1 . 1 1 83 83 ALA N N 83 127.525 127.525 124.008 3.517 25573 346 1 1 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.259 -0.160 25573 347 1 1 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.198 -1.290 25573 348 1 1 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.367 -3.557 25573 349 1 1 . 1 1 83 83 ALA H H 83 10.165 10.165 7.822 2.343 25573 350 1 1 . 1 1 84 84 ILE N N 84 115.968 115.968 118.044 -2.076 25573 351 1 1 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.729 -0.195 25573 352 1 1 . 1 1 84 84 ILE CA C 84 64.377 64.377 63.254 1.123 25573 353 1 1 . 1 1 84 84 ILE CB C 84 35.417 35.417 36.274 -0.857 25573 354 1 1 . 1 1 84 84 ILE H H 84 8.437 8.437 7.810 0.627 25573 355 1 1 . 1 1 85 85 VAL N N 85 117.106 117.106 119.473 -2.367 25573 356 1 1 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.625 0.420 25573 357 1 1 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.161 -11.236 25573 358 1 1 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.256 -2.071 25573 359 1 1 . 1 1 85 85 VAL H H 85 7.835 7.835 7.978 -0.143 25573 360 1 1 . 1 1 86 86 THR N N 86 116.673 116.673 114.363 2.310 25573 361 1 1 . 1 1 86 86 THR HA H 86 4.181 4.181 3.818 0.363 25573 362 1 1 . 1 1 86 86 THR CA C 86 59.627 59.627 66.281 -6.654 25573 363 1 1 . 1 1 86 86 THR CB C 86 65.856 65.856 68.858 -3.002 25573 364 1 1 . 1 1 86 86 THR H H 86 8.254 8.254 7.868 0.386 25573 365 1 1 . 1 1 87 87 LEU N N 87 121.447 121.447 121.762 -0.315 25573 366 1 1 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.105 0.477 25573 367 1 1 . 1 1 87 87 LEU CA C 87 56.856 56.856 58.041 -1.185 25573 368 1 1 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.295 -9.470 25573 369 1 1 . 1 1 87 87 LEU H H 87 7.913 7.913 7.920 -0.007 25573 370 1 1 . 1 1 88 88 LYS N N 88 119.505 119.505 119.274 0.231 25573 371 1 1 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.663 0.478 25573 372 1 1 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.552 -3.482 25573 373 1 1 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.231 -2.344 25573 374 1 1 . 1 1 88 88 LYS H H 88 7.970 7.970 7.549 0.421 25573 375 1 1 . 1 1 89 89 VAL N N 89 119.366 119.366 119.647 -0.281 25573 376 1 1 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.565 0.255 25573 377 1 1 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.556 -9.600 25573 378 1 1 . 1 1 89 89 VAL H H 89 8.082 8.082 8.069 0.013 25573 379 1 1 . 1 1 90 90 PHE N N 90 119.366 119.366 120.374 -1.008 25573 380 1 1 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.977 0.447 25573 381 1 1 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.908 -3.757 25573 382 1 1 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.445 -2.815 25573 383 1 1 . 1 1 90 90 PHE H H 90 8.104 8.104 8.518 -0.414 25573 384 1 1 . 1 1 91 91 ALA N N 91 118.916 118.916 121.678 -2.762 25573 385 1 1 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.650 0.866 25573 386 1 1 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.974 -0.562 25573 387 1 1 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.226 -2.336 25573 388 1 1 . 1 1 91 91 ALA H H 91 8.187 8.187 7.594 0.593 25573 389 1 1 . 1 1 92 92 VAL N N 92 113.741 113.741 118.324 -4.583 25573 390 1 1 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.659 -0.072 25573 391 1 1 . 1 1 92 92 VAL CA C 92 63.579 63.579 65.979 -2.400 25573 392 1 1 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.138 -0.346 25573 393 1 1 . 1 1 92 92 VAL H H 92 8.196 8.196 8.225 -0.029 25573 394 1 1 . 1 1 93 93 ALA N N 93 119.366 119.366 120.666 -1.300 25573 395 1 1 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.245 0.449 25573 396 1 1 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.777 -4.496 25573 397 1 1 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.291 -1.577 25573 398 1 1 . 1 1 93 93 ALA H H 93 8.564 8.564 8.325 0.239 25573 399 1 1 . 1 1 94 94 GLY N N 94 104.958 104.958 106.658 -1.700 25573 400 1 1 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.523 -1.599 25573 401 1 1 . 1 1 94 94 GLY H H 94 6.940 6.940 7.411 -0.471 25573 402 1 1 . 1 1 95 95 LEU N N 95 120.679 120.679 121.036 -0.357 25573 403 1 1 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.991 0.014 25573 404 1 1 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.317 -2.913 25573 405 1 1 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.955 -3.730 25573 406 1 1 . 1 1 95 95 LEU H H 95 7.724 7.724 7.547 0.177 25573 407 1 1 . 1 1 96 96 LEU N N 96 115.261 115.261 117.814 -2.553 25573 408 1 1 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.320 -0.045 25573 409 1 1 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.590 -2.321 25573 410 1 1 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.605 -2.919 25573 411 1 1 . 1 1 96 96 LEU H H 96 7.723 7.723 7.642 0.081 25573 412 1 1 . 1 1 97 97 ASN N N 97 112.672 112.672 112.639 0.033 25573 413 1 1 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.526 -0.285 25573 414 1 1 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.172 -2.972 25573 415 1 1 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.728 -2.283 25573 416 1 1 . 1 1 97 97 ASN H H 97 6.694 6.694 7.291 -0.597 25573 417 1 1 . 1 1 98 98 MET N N 98 115.968 115.968 119.077 -3.109 25573 418 1 1 . 1 1 98 98 MET HA H 98 4.614 4.614 4.628 -0.014 25573 419 1 1 . 1 1 98 98 MET CA C 98 51.685 51.685 54.265 -2.580 25573 420 1 1 . 1 1 98 98 MET CB C 98 29.808 29.808 32.658 -2.850 25573 421 1 1 . 1 1 98 98 MET H H 98 8.168 8.168 7.747 0.421 25573 422 1 1 . 1 1 99 99 THR N N 99 118.683 118.683 122.090 -3.407 25573 423 1 1 . 1 1 99 99 THR HA H 99 4.184 4.184 4.105 0.079 25573 424 1 1 . 1 1 99 99 THR CA C 99 59.813 59.813 63.148 -3.335 25573 425 1 1 . 1 1 99 99 THR CB C 99 65.438 65.438 68.448 -3.010 25573 426 1 1 . 1 1 99 99 THR H H 99 8.562 8.562 8.373 0.189 25573 427 1 1 . 1 1 100 100 VAL HA H 100 4.119 4.119 3.976 0.143 25573 428 1 1 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.897 -5.195 25573 429 1 1 . 1 1 100 100 VAL H H 100 8.392 8.392 7.831 0.561 25573 430 1 1 . 1 1 101 101 SER N N 101 121.736 121.736 112.521 9.215 25573 431 1 1 . 1 1 101 101 SER HA H 101 4.645 4.645 4.492 0.153 25573 432 1 1 . 1 1 101 101 SER CA C 101 56.852 56.852 60.242 -3.390 25573 433 1 1 . 1 1 101 101 SER CB C 101 61.739 61.739 63.579 -1.840 25573 434 1 1 . 1 1 101 101 SER H H 101 8.079 8.079 8.493 -0.414 25573 435 1 1 . 1 1 102 102 THR N N 102 110.147 110.147 109.944 0.203 25573 436 1 1 . 1 1 102 102 THR HA H 102 5.450 5.450 5.016 0.434 25573 437 1 1 . 1 1 102 102 THR CA C 102 56.522 56.522 60.030 -3.508 25573 438 1 1 . 1 1 102 102 THR CB C 102 71.007 71.007 72.317 -1.310 25573 439 1 1 . 1 1 102 102 THR H H 102 7.276 7.276 7.506 -0.230 25573 440 1 1 . 1 1 103 103 ALA N N 103 124.013 124.013 124.129 -0.116 25573 441 1 1 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.103 -0.149 25573 442 1 1 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.867 -3.589 25573 443 1 1 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.630 -2.946 25573 444 1 1 . 1 1 103 103 ALA H H 103 8.433 8.433 8.543 -0.110 25573 445 1 1 . 1 1 104 104 ALA N N 104 119.649 119.649 120.717 -1.068 25573 446 1 1 . 1 1 104 104 ALA HA H 104 4.286 4.286 3.963 0.323 25573 447 1 1 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.731 -2.429 25573 448 1 1 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.269 -1.749 25573 449 1 1 . 1 1 104 104 ALA H H 104 8.474 8.474 8.334 0.140 25573 450 1 1 . 1 1 105 105 ALA N N 105 120.587 120.587 120.870 -0.283 25573 451 1 1 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.985 0.279 25573 452 1 1 . 1 1 105 105 ALA CA C 105 52.198 52.198 55.017 -2.819 25573 453 1 1 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.235 -2.490 25573 454 1 1 . 1 1 105 105 ALA H H 105 8.050 8.050 7.788 0.262 25573 455 1 1 . 1 1 106 106 ALA N N 106 121.752 121.752 121.708 0.044 25573 456 1 1 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.951 -0.684 25573 457 1 1 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.297 -3.786 25573 458 1 1 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.629 -2.581 25573 459 1 1 . 1 1 106 106 ALA H H 106 8.071 8.071 7.880 0.191 25573 460 1 1 . 1 1 107 107 GLU N N 107 119.133 119.133 117.990 1.143 25573 461 1 1 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.906 -0.047 25573 462 1 1 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.001 -1.666 25573 463 1 1 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.111 -2.002 25573 464 1 1 . 1 1 107 107 GLU H H 107 8.711 8.711 7.999 0.712 25573 465 1 1 . 1 1 108 108 ASN N N 108 118.306 118.306 120.524 -2.218 25573 466 1 1 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.511 0.090 25573 467 1 1 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.347 -2.376 25573 468 1 1 . 1 1 108 108 ASN CB C 108 35.452 35.452 39.009 -3.557 25573 469 1 1 . 1 1 108 108 ASN H H 108 8.045 8.045 8.237 -0.192 25573 470 1 1 . 1 1 109 109 MET N N 109 120.038 120.038 119.544 0.494 25573 471 1 1 . 1 1 109 109 MET HA H 109 4.305 4.305 4.229 0.076 25573 472 1 1 . 1 1 109 109 MET CA C 109 55.602 55.602 57.201 -1.599 25573 473 1 1 . 1 1 109 109 MET CB C 109 29.771 29.771 31.611 -1.840 25573 474 1 1 . 1 1 109 109 MET H H 109 8.401 8.401 8.010 0.391 25573 475 1 1 . 1 1 110 110 TYR N N 110 121.616 121.616 120.457 1.159 25573 476 1 1 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.137 -0.474 25573 477 1 1 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.343 -3.418 25573 478 1 1 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.350 -2.424 25573 479 1 1 . 1 1 110 110 TYR H H 110 8.651 8.651 8.309 0.342 25573 480 1 1 . 1 1 111 111 SER N N 111 110.621 110.621 113.563 -2.942 25573 481 1 1 . 1 1 111 111 SER HA H 111 4.540 4.540 4.221 0.319 25573 482 1 1 . 1 1 111 111 SER CA C 111 58.395 58.395 60.900 -2.505 25573 483 1 1 . 1 1 111 111 SER CB C 111 60.600 60.600 63.135 -2.535 25573 484 1 1 . 1 1 111 111 SER H H 111 7.394 7.394 8.098 -0.704 25573 485 1 1 . 1 1 112 112 GLN N N 112 125.643 125.643 122.651 2.992 25573 486 1 1 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.079 -0.020 25573 487 1 1 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.328 -2.244 25573 488 1 1 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.712 -3.067 25573 489 1 1 . 1 1 112 112 GLN H H 112 8.774 8.774 8.368 0.406 25573 490 1 1 . 1 1 113 113 MET N N 113 114.866 114.866 117.623 -2.757 25573 491 1 1 . 1 1 113 113 MET HA H 113 4.275 4.275 4.356 -0.081 25573 492 1 1 . 1 1 113 113 MET CA C 113 53.246 53.246 56.636 -3.389 25573 493 1 1 . 1 1 113 113 MET CB C 113 31.365 31.365 33.759 -2.394 25573 494 1 1 . 1 1 113 113 MET H H 113 8.070 8.070 7.730 0.340 25573 495 1 1 . 1 1 114 114 GLY N N 114 107.252 107.252 106.370 0.882 25573 496 1 1 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.053 -2.093 25573 497 1 1 . 1 1 114 114 GLY H H 114 8.012 8.012 7.638 0.374 25573 498 1 1 . 1 1 115 115 LEU N N 115 114.939 114.939 118.499 -3.560 25573 499 1 1 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.290 -0.415 25573 500 1 1 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.865 -1.656 25573 501 1 1 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.911 -6.453 25573 502 1 1 . 1 1 115 115 LEU H H 115 7.447 7.447 7.582 -0.135 25573 503 1 1 . 1 1 116 116 ASP N N 116 116.423 116.423 116.609 -0.186 25573 504 1 1 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.895 -0.225 25573 505 1 1 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.071 -1.768 25573 506 1 1 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.108 -5.789 25573 507 1 1 . 1 1 116 116 ASP H H 116 8.518 8.518 7.555 0.963 25573 508 1 1 . 1 1 117 117 THR N N 117 113.582 113.582 110.941 2.641 25573 509 1 1 . 1 1 117 117 THR HA H 117 4.194 4.194 4.475 -0.281 25573 510 1 1 . 1 1 117 117 THR CA C 117 58.925 58.925 62.078 -3.152 25573 511 1 1 . 1 1 117 117 THR CB C 117 67.320 67.320 69.078 -1.758 25573 512 1 1 . 1 1 117 117 THR H H 117 7.240 7.240 8.069 -0.829 25573 513 1 1 . 1 1 118 118 ARG N N 118 126.068 126.068 122.076 3.992 25573 514 1 1 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.620 -0.054 25573 515 1 1 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.619 -2.276 25573 516 1 1 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.244 2.464 25573 517 1 1 . 1 1 118 118 ARG H H 118 8.711 8.711 8.068 0.643 25573 518 1 1 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.597 -2.519 25573 519 1 1 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.948 -2.905 25573 520 1 1 . 1 1 120 120 SER N N 120 116.251 116.251 117.712 -1.461 25573 521 1 1 . 1 1 120 120 SER HA H 120 4.385 4.385 4.874 -0.489 25573 522 1 1 . 1 1 120 120 SER CA C 120 55.352 55.352 57.634 -2.282 25573 523 1 1 . 1 1 120 120 SER CB C 120 61.037 61.037 65.477 -4.440 25573 524 1 1 . 1 1 120 120 SER H H 120 8.385 8.385 8.233 0.152 25573 525 1 1 . 1 1 121 121 MET N N 121 123.171 123.171 119.575 3.596 25573 526 1 1 . 1 1 121 121 MET HA H 121 4.289 4.289 4.710 -0.421 25573 527 1 1 . 1 1 121 121 MET CA C 121 53.282 53.282 56.014 -2.732 25573 528 1 1 . 1 1 121 121 MET CB C 121 30.755 30.755 33.452 -2.697 25573 529 1 1 . 1 1 121 121 MET H H 121 8.297 8.297 8.498 -0.201 25573 530 1 1 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.530 -0.272 25573 531 1 1 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.145 -2.475 25573 532 1 1 . 1 1 123 123 GLU N N 123 122.135 122.135 125.245 -3.110 25573 533 1 1 . 1 1 123 123 GLU CA C 123 47.903 47.903 57.233 -9.330 25573 534 1 1 . 1 1 123 123 GLU CB C 123 30.404 30.404 30.390 0.014 25573 535 1 1 . 1 1 123 123 GLU H H 123 8.505 8.505 8.768 -0.263 25573 536 1 1 . 1 1 124 124 ALA N N 124 125.340 125.340 121.392 3.948 25573 537 1 1 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.659 -0.328 25573 538 1 1 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.848 -2.015 25573 539 1 1 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.576 -3.911 25573 540 1 1 . 1 1 124 124 ALA H H 124 8.422 8.422 7.992 0.430 25573 541 1 1 . 1 1 125 125 GLY N N 125 108.426 108.426 108.530 -0.104 25573 542 1 1 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.703 -2.962 25573 543 1 1 . 1 1 125 125 GLY H H 125 8.401 8.401 8.188 0.213 25573 544 1 1 . 1 1 126 126 GLY N N 126 109.792 109.792 108.120 1.672 25573 545 1 1 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.483 -2.236 25573 546 1 1 . 1 1 126 126 GLY H H 126 8.515 8.515 8.131 0.384 25573 547 1 1 . 1 1 127 127 LYS N N 127 120.366 120.366 121.409 -1.043 25573 548 1 1 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.524 -0.203 25573 549 1 1 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.206 -1.662 25573 550 1 1 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.796 -3.444 25573 551 1 1 . 1 1 127 127 LYS H H 127 8.244 8.244 8.232 0.012 25573 552 1 1 . 1 1 128 128 GLU N N 128 122.270 122.270 121.695 0.575 25573 553 1 1 . 1 1 128 128 GLU CA C 128 56.044 56.044 57.102 -1.058 25573 554 1 1 . 1 1 128 128 GLU H H 128 8.559 8.559 8.595 -0.036 25573 555 1 1 . 1 1 129 129 GLU N N 129 122.282 122.282 121.187 1.095 25573 556 1 1 . 1 1 129 129 GLU CA C 129 56.536 56.536 55.409 1.127 25573 557 1 1 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.589 -1.400 25573 558 1 1 . 1 1 129 129 GLU H H 129 8.027 8.027 8.032 -0.005 25573 559 1 1 . 1 1 130 130 GLY N N 130 110.258 110.258 108.555 1.703 25573 560 1 1 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.271 -2.610 25573 561 1 1 . 1 1 130 130 GLY H H 130 10.190 10.190 8.429 1.761 25573 562 1 1 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.540 -0.161 25573 563 1 1 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.873 -2.404 25573 564 1 1 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.852 -3.621 25573 565 1 1 . 1 1 133 133 GLN N N 133 119.932 119.932 118.367 1.565 25573 566 1 1 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.549 -0.230 25573 567 1 1 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.075 -1.826 25573 568 1 1 . 1 1 133 133 GLN CB C 133 29.655 29.655 30.833 -1.178 25573 569 1 1 . 1 1 133 133 GLN H H 133 8.478 8.478 8.467 0.011 25573 570 1 1 . 1 1 134 134 ALA N N 134 124.828 124.828 127.044 -2.216 25573 571 1 1 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.529 -0.280 25573 572 1 1 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.020 -2.328 25573 573 1 1 . 1 1 134 134 ALA CB C 134 16.024 16.024 18.285 -2.261 25573 574 1 1 . 1 1 134 134 ALA H H 134 8.263 8.263 8.524 -0.261 25573 575 1 2 . 1 1 3 3 ASN N N 3 119.366 119.366 120.670 -1.304 25573 576 1 2 . 1 1 3 3 ASN HA H 3 4.583 4.583 5.159 -0.576 25573 577 1 2 . 1 1 3 3 ASN CA C 3 51.391 51.391 52.575 -1.184 25573 578 1 2 . 1 1 3 3 ASN CB C 3 35.712 35.712 40.833 -5.121 25573 579 1 2 . 1 1 3 3 ASN H H 3 8.596 8.596 8.578 0.018 25573 580 1 2 . 1 1 4 4 GLY N N 4 112.829 112.829 108.105 4.724 25573 581 1 2 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.367 -1.665 25573 582 1 2 . 1 1 4 4 GLY H H 4 8.073 8.073 8.367 -0.294 25573 583 1 2 . 1 1 5 5 ALA N N 5 123.630 123.630 119.659 3.971 25573 584 1 2 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.065 0.338 25573 585 1 2 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.388 -2.748 25573 586 1 2 . 1 1 5 5 ALA CB C 5 16.414 16.414 18.358 -1.944 25573 587 1 2 . 1 1 5 5 ALA H H 5 8.008 8.008 8.259 -0.251 25573 588 1 2 . 1 1 6 6 SER N N 6 114.866 114.866 111.100 3.766 25573 589 1 2 . 1 1 6 6 SER HA H 6 4.270 4.270 4.078 0.192 25573 590 1 2 . 1 1 6 6 SER CA C 6 56.023 56.023 59.047 -3.024 25573 591 1 2 . 1 1 6 6 SER CB C 6 60.936 60.936 62.806 -1.870 25573 592 1 2 . 1 1 6 6 SER H H 6 8.293 8.293 8.550 -0.257 25573 593 1 2 . 1 1 7 7 ARG N N 7 119.250 119.250 121.427 -2.177 25573 594 1 2 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.616 -0.110 25573 595 1 2 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.595 -0.173 25573 596 1 2 . 1 1 7 7 ARG H H 7 8.305 8.305 7.846 0.459 25573 597 1 2 . 1 1 8 8 ASP N N 8 119.662 119.662 119.138 0.524 25573 598 1 2 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.382 -0.229 25573 599 1 2 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.154 -1.600 25573 600 1 2 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.667 -14.166 25573 601 1 2 . 1 1 8 8 ASP H H 8 7.915 7.915 8.114 -0.199 25573 602 1 2 . 1 1 9 9 TRP N N 9 121.861 121.861 121.370 0.491 25573 603 1 2 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.451 -0.335 25573 604 1 2 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.336 -4.374 25573 605 1 2 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.504 -1.482 25573 606 1 2 . 1 1 9 9 TRP H H 9 8.222 8.222 8.006 0.216 25573 607 1 2 . 1 1 10 10 LYS N N 10 118.681 118.681 118.992 -0.311 25573 608 1 2 . 1 1 10 10 LYS HA H 10 4.282 4.282 4.002 0.280 25573 609 1 2 . 1 1 10 10 LYS CA C 10 58.899 58.899 60.150 -1.251 25573 610 1 2 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.485 -4.446 25573 611 1 2 . 1 1 10 10 LYS H H 10 8.003 8.003 7.973 0.030 25573 612 1 2 . 1 1 11 11 MET N N 11 119.366 119.366 118.127 1.239 25573 613 1 2 . 1 1 11 11 MET HA H 11 4.559 4.559 4.214 0.345 25573 614 1 2 . 1 1 11 11 MET CA C 11 53.485 53.485 58.222 -4.737 25573 615 1 2 . 1 1 11 11 MET H H 11 8.041 8.041 8.095 -0.054 25573 616 1 2 . 1 1 12 12 ALA N N 12 122.650 122.650 123.273 -0.623 25573 617 1 2 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.044 0.165 25573 618 1 2 . 1 1 12 12 ALA CA C 12 59.799 59.799 55.000 4.799 25573 619 1 2 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.236 -0.465 25573 620 1 2 . 1 1 12 12 ALA H H 12 7.904 7.904 8.099 -0.195 25573 621 1 2 . 1 1 13 13 ILE N N 13 117.322 117.322 117.895 -0.573 25573 622 1 2 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.206 1.372 25573 623 1 2 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.605 -7.702 25573 624 1 2 . 1 1 13 13 ILE H H 13 8.380 8.380 7.898 0.482 25573 625 1 2 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.822 1.094 25573 626 1 2 . 1 1 16 16 CYS N N 16 116.263 116.263 120.110 -3.847 25573 627 1 2 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.189 -0.144 25573 628 1 2 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.582 -2.798 25573 629 1 2 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.899 1.911 25573 630 1 2 . 1 1 16 16 CYS H H 16 7.799 7.799 7.998 -0.199 25573 631 1 2 . 1 1 17 17 SER N N 17 114.606 114.606 116.125 -1.519 25573 632 1 2 . 1 1 17 17 SER HA H 17 4.952 4.952 4.525 0.427 25573 633 1 2 . 1 1 17 17 SER CA C 17 58.171 58.171 61.113 -2.942 25573 634 1 2 . 1 1 17 17 SER CB C 17 60.740 60.740 63.088 -2.348 25573 635 1 2 . 1 1 17 17 SER H H 17 7.830 7.830 8.528 -0.699 25573 636 1 2 . 1 1 18 18 ASN N N 18 116.143 116.143 118.869 -2.726 25573 637 1 2 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.855 0.153 25573 638 1 2 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.666 -2.191 25573 639 1 2 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.766 -1.477 25573 640 1 2 . 1 1 18 18 ASN H H 18 7.557 7.557 7.809 -0.252 25573 641 1 2 . 1 1 19 19 VAL N N 19 121.616 121.616 120.027 1.589 25573 642 1 2 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.340 -0.841 25573 643 1 2 . 1 1 19 19 VAL CA C 19 59.730 59.730 61.133 -1.403 25573 644 1 2 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.437 -5.395 25573 645 1 2 . 1 1 19 19 VAL H H 19 7.919 7.919 7.629 0.290 25573 646 1 2 . 1 1 20 20 ALA N N 20 129.139 129.139 128.035 1.104 25573 647 1 2 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.943 -0.148 25573 648 1 2 . 1 1 20 20 ALA C C 20 169.500 169.500 178.238 -8.738 25573 649 1 2 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.420 -0.006 25573 650 1 2 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.357 -3.640 25573 651 1 2 . 1 1 20 20 ALA H H 20 8.150 8.150 8.423 -0.273 25573 652 1 2 . 1 1 21 21 VAL N N 21 120.390 120.390 120.250 0.140 25573 653 1 2 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.754 0.013 25573 654 1 2 . 1 1 21 21 VAL CA C 21 63.578 63.578 65.678 -2.100 25573 655 1 2 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.714 -1.968 25573 656 1 2 . 1 1 21 21 VAL H H 21 8.319 8.319 7.906 0.413 25573 657 1 2 . 1 1 22 22 GLY N N 22 108.884 108.884 105.025 3.859 25573 658 1 2 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.142 -2.174 25573 659 1 2 . 1 1 22 22 GLY H H 22 8.221 8.221 7.247 0.974 25573 660 1 2 . 1 1 23 23 VAL N N 23 117.439 117.439 117.839 -0.400 25573 661 1 2 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.024 0.214 25573 662 1 2 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.954 -4.866 25573 663 1 2 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.145 -1.711 25573 664 1 2 . 1 1 23 23 VAL H H 23 8.003 8.003 8.373 -0.370 25573 665 1 2 . 1 1 24 24 GLY N N 24 112.616 112.616 104.287 8.329 25573 666 1 2 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.711 -1.932 25573 667 1 2 . 1 1 24 24 GLY H H 24 8.716 8.716 7.455 1.261 25573 668 1 2 . 1 1 25 25 GLY N N 25 108.753 108.753 109.751 -0.998 25573 669 1 2 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.565 -3.565 25573 670 1 2 . 1 1 25 25 GLY H H 25 8.286 8.286 8.351 -0.065 25573 671 1 2 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.536 -0.160 25573 672 1 2 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.611 -2.099 25573 673 1 2 . 1 1 27 27 SER HA H 27 4.922 4.922 4.573 0.349 25573 674 1 2 . 1 1 27 27 SER CA C 27 56.876 56.876 57.962 -1.086 25573 675 1 2 . 1 1 27 27 SER CB C 27 64.578 64.578 64.272 0.306 25573 676 1 2 . 1 1 27 27 SER H H 27 7.831 7.831 7.887 -0.056 25573 677 1 2 . 1 1 28 28 LYS N N 28 122.919 122.919 121.562 1.357 25573 678 1 2 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.383 -0.199 25573 679 1 2 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.521 1.018 25573 680 1 2 . 1 1 28 28 LYS CB C 28 33.366 33.366 33.310 0.056 25573 681 1 2 . 1 1 28 28 LYS H H 28 8.589 8.589 8.445 0.144 25573 682 1 2 . 1 1 29 29 LYS N N 29 120.917 120.917 117.982 2.935 25573 683 1 2 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.848 -0.465 25573 684 1 2 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.017 -1.482 25573 685 1 2 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.411 -2.335 25573 686 1 2 . 1 1 29 29 LYS H H 29 8.471 8.471 7.981 0.490 25573 687 1 2 . 1 1 30 30 PHE N N 30 119.366 119.366 118.510 0.856 25573 688 1 2 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.614 -0.756 25573 689 1 2 . 1 1 30 30 PHE CA C 30 58.172 58.172 56.459 1.713 25573 690 1 2 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.811 -2.569 25573 691 1 2 . 1 1 30 30 PHE H H 30 8.000 8.000 8.184 -0.184 25573 692 1 2 . 1 1 31 31 GLY N N 31 106.991 106.991 105.849 1.142 25573 693 1 2 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.194 -3.257 25573 694 1 2 . 1 1 31 31 GLY H H 31 8.404 8.404 7.961 0.443 25573 695 1 2 . 1 1 32 32 GLU N N 32 120.491 120.491 120.090 0.401 25573 696 1 2 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.115 -0.003 25573 697 1 2 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.922 -1.750 25573 698 1 2 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.605 -2.299 25573 699 1 2 . 1 1 32 32 GLU H H 32 9.168 9.168 8.855 0.313 25573 700 1 2 . 1 1 33 33 GLY N N 33 109.241 109.241 106.085 3.156 25573 701 1 2 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.959 -3.368 25573 702 1 2 . 1 1 33 33 GLY H H 33 8.613 8.613 8.477 0.136 25573 703 1 2 . 1 1 34 34 ASN N N 34 118.241 118.241 121.154 -2.913 25573 704 1 2 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.354 -0.316 25573 705 1 2 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.622 -2.159 25573 706 1 2 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.030 -1.636 25573 707 1 2 . 1 1 34 34 ASN H H 34 7.897 7.897 7.189 0.708 25573 708 1 2 . 1 1 35 35 PHE N N 35 117.116 117.116 119.421 -2.305 25573 709 1 2 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.104 -0.016 25573 710 1 2 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.396 -1.084 25573 711 1 2 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.610 -1.782 25573 712 1 2 . 1 1 35 35 PHE H H 35 7.180 7.180 7.649 -0.469 25573 713 1 2 . 1 1 36 36 ARG N N 36 117.825 117.825 118.696 -0.871 25573 714 1 2 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.017 -0.445 25573 715 1 2 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.383 -1.141 25573 716 1 2 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.636 4.361 25573 717 1 2 . 1 1 36 36 ARG H H 36 8.278 8.278 8.053 0.225 25573 718 1 2 . 1 1 37 37 TRP N N 37 118.845 118.845 121.715 -2.870 25573 719 1 2 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.257 -0.123 25573 720 1 2 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.327 -2.427 25573 721 1 2 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.213 -1.764 25573 722 1 2 . 1 1 37 37 TRP H H 37 8.106 8.106 7.956 0.150 25573 723 1 2 . 1 1 38 38 ALA N N 38 119.609 119.609 122.901 -3.292 25573 724 1 2 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.720 0.709 25573 725 1 2 . 1 1 38 38 ALA CA C 38 52.894 52.894 55.053 -2.159 25573 726 1 2 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.622 -2.223 25573 727 1 2 . 1 1 38 38 ALA H H 38 8.332 8.332 8.051 0.281 25573 728 1 2 . 1 1 39 39 ILE N N 39 114.866 114.866 119.081 -4.215 25573 729 1 2 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.535 0.829 25573 730 1 2 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.980 -10.396 25573 731 1 2 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.731 -6.239 25573 732 1 2 . 1 1 39 39 ILE H H 39 8.161 8.161 8.617 -0.456 25573 733 1 2 . 1 1 40 40 ARG N N 40 120.240 120.240 118.163 2.077 25573 734 1 2 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.826 0.240 25573 735 1 2 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.430 -2.791 25573 736 1 2 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.903 -0.094 25573 737 1 2 . 1 1 40 40 ARG H H 40 8.446 8.446 8.320 0.126 25573 738 1 2 . 1 1 41 41 MET HA H 41 4.305 4.305 3.907 0.398 25573 739 1 2 . 1 1 41 41 MET CA C 41 53.585 53.585 58.295 -4.710 25573 740 1 2 . 1 1 41 41 MET CB C 41 29.902 29.902 31.699 -1.797 25573 741 1 2 . 1 1 42 42 ALA N N 42 122.782 122.782 120.785 1.997 25573 742 1 2 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.898 0.650 25573 743 1 2 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.128 -2.852 25573 744 1 2 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.299 -1.439 25573 745 1 2 . 1 1 42 42 ALA H H 42 8.556 8.556 8.083 0.473 25573 746 1 2 . 1 1 43 43 ASN N N 43 119.366 119.366 116.484 2.882 25573 747 1 2 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.455 0.239 25573 748 1 2 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.977 -5.640 25573 749 1 2 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.673 -2.982 25573 750 1 2 . 1 1 43 43 ASN H H 43 8.613 8.613 8.296 0.317 25573 751 1 2 . 1 1 44 44 VAL N N 44 118.466 118.466 120.045 -1.579 25573 752 1 2 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.755 0.144 25573 753 1 2 . 1 1 44 44 VAL CA C 44 63.094 63.094 66.419 -3.325 25573 754 1 2 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.968 -3.047 25573 755 1 2 . 1 1 44 44 VAL H H 44 8.464 8.464 7.711 0.753 25573 756 1 2 . 1 1 45 45 SER N N 45 113.763 113.763 115.386 -1.623 25573 757 1 2 . 1 1 45 45 SER HA H 45 4.328 4.328 4.203 0.125 25573 758 1 2 . 1 1 45 45 SER CA C 45 58.553 58.553 61.451 -2.898 25573 759 1 2 . 1 1 45 45 SER CB C 45 61.343 61.343 63.599 -2.256 25573 760 1 2 . 1 1 45 45 SER H H 45 7.963 7.963 7.874 0.089 25573 761 1 2 . 1 1 46 46 THR N N 46 106.729 106.729 109.332 -2.603 25573 762 1 2 . 1 1 46 46 THR HA H 46 4.602 4.602 4.617 -0.015 25573 763 1 2 . 1 1 46 46 THR CA C 46 58.026 58.026 60.586 -2.559 25573 764 1 2 . 1 1 46 46 THR CB C 46 67.285 67.285 69.764 -2.479 25573 765 1 2 . 1 1 46 46 THR H H 46 7.560 7.560 7.873 -0.313 25573 766 1 2 . 1 1 47 47 GLY N N 47 109.384 109.384 109.771 -0.387 25573 767 1 2 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.579 -1.770 25573 768 1 2 . 1 1 47 47 GLY H H 47 7.539 7.539 8.097 -0.558 25573 769 1 2 . 1 1 48 48 ARG N N 48 120.563 120.563 120.435 0.128 25573 770 1 2 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.841 0.512 25573 771 1 2 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.114 -4.775 25573 772 1 2 . 1 1 48 48 ARG CB C 48 29.760 29.760 30.260 -0.500 25573 773 1 2 . 1 1 48 48 ARG H H 48 8.220 8.220 7.712 0.508 25573 774 1 2 . 1 1 49 49 GLU N N 49 122.874 122.874 117.503 5.371 25573 775 1 2 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.031 0.291 25573 776 1 2 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.711 -2.577 25573 777 1 2 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.459 -0.355 25573 778 1 2 . 1 1 49 49 GLU H H 49 8.661 8.661 8.592 0.069 25573 779 1 2 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.018 1.876 25573 780 1 2 . 1 1 51 51 GLY N N 51 102.859 102.859 108.897 -6.038 25573 781 1 2 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.933 -2.856 25573 782 1 2 . 1 1 51 51 GLY H H 51 8.368 8.368 8.364 0.004 25573 783 1 2 . 1 1 52 52 ASP N N 52 120.491 120.491 122.829 -2.338 25573 784 1 2 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.714 -0.334 25573 785 1 2 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.153 -2.472 25573 786 1 2 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.527 -4.726 25573 787 1 2 . 1 1 52 52 ASP H H 52 7.204 7.204 7.998 -0.794 25573 788 1 2 . 1 1 53 53 ILE N N 53 127.662 127.662 116.234 11.428 25573 789 1 2 . 1 1 53 53 ILE HA H 53 4.530 4.530 5.276 -0.746 25573 790 1 2 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.015 -3.888 25573 791 1 2 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.869 -3.374 25573 792 1 2 . 1 1 53 53 ILE H H 53 8.255 8.255 7.580 0.675 25573 793 1 2 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.607 -0.121 25573 794 1 2 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.782 -2.663 25573 795 1 2 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.938 -4.143 25573 796 1 2 . 1 1 55 55 GLU N N 55 117.116 117.116 116.283 0.833 25573 797 1 2 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.358 0.148 25573 798 1 2 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.904 -2.620 25573 799 1 2 . 1 1 55 55 GLU CB C 55 29.682 29.682 30.459 -0.777 25573 800 1 2 . 1 1 55 55 GLU H H 55 8.580 8.580 8.815 -0.235 25573 801 1 2 . 1 1 56 56 THR N N 56 105.122 105.122 114.394 -9.272 25573 802 1 2 . 1 1 56 56 THR HA H 56 4.832 4.832 4.449 0.383 25573 803 1 2 . 1 1 56 56 THR CA C 56 55.381 55.381 60.555 -5.174 25573 804 1 2 . 1 1 56 56 THR CB C 56 70.771 70.771 71.020 -0.249 25573 805 1 2 . 1 1 56 56 THR H H 56 7.367 7.367 7.862 -0.495 25573 806 1 2 . 1 1 57 57 LEU N N 57 122.564 122.564 122.866 -0.302 25573 807 1 2 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.067 0.365 25573 808 1 2 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.019 -2.610 25573 809 1 2 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.163 -3.302 25573 810 1 2 . 1 1 57 57 LEU H H 57 9.222 9.222 8.717 0.505 25573 811 1 2 . 1 1 58 58 ASP N N 58 119.366 119.366 117.927 1.439 25573 812 1 2 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.706 0.574 25573 813 1 2 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.555 -3.198 25573 814 1 2 . 1 1 58 58 ASP H H 58 8.570 8.570 8.559 0.011 25573 815 1 2 . 1 1 59 59 GLN N N 59 118.241 118.241 119.284 -1.043 25573 816 1 2 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.066 -0.034 25573 817 1 2 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.645 -2.728 25573 818 1 2 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.665 -2.591 25573 819 1 2 . 1 1 59 59 GLN H H 59 7.823 7.823 7.651 0.172 25573 820 1 2 . 1 1 60 60 LEU N N 60 121.691 121.691 121.691 0.000 25573 821 1 2 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.974 0.105 25573 822 1 2 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.218 -2.947 25573 823 1 2 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.796 5.841 25573 824 1 2 . 1 1 60 60 LEU H H 60 8.187 8.187 8.032 0.155 25573 825 1 2 . 1 1 61 61 ARG N N 61 117.960 117.960 118.876 -0.916 25573 826 1 2 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.027 0.039 25573 827 1 2 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.608 -3.426 25573 828 1 2 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.207 -1.291 25573 829 1 2 . 1 1 61 61 ARG H H 61 9.133 9.133 7.883 1.250 25573 830 1 2 . 1 1 62 62 LEU N N 62 118.408 118.408 120.393 -1.985 25573 831 1 2 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.139 -0.113 25573 832 1 2 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.914 -1.835 25573 833 1 2 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.817 -3.453 25573 834 1 2 . 1 1 62 62 LEU H H 62 7.817 7.817 7.779 0.038 25573 835 1 2 . 1 1 63 63 VAL N N 63 119.177 119.177 119.406 -0.229 25573 836 1 2 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.561 -0.024 25573 837 1 2 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.109 -2.608 25573 838 1 2 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.015 -2.131 25573 839 1 2 . 1 1 63 63 VAL H H 63 7.368 7.368 7.610 -0.242 25573 840 1 2 . 1 1 64 64 ILE N N 64 119.068 119.068 120.125 -1.057 25573 841 1 2 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.669 -0.129 25573 842 1 2 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.693 -1.212 25573 843 1 2 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.709 -2.997 25573 844 1 2 . 1 1 64 64 ILE H H 64 8.320 8.320 7.929 0.391 25573 845 1 2 . 1 1 65 65 CYS N N 65 119.131 119.131 118.937 0.194 25573 846 1 2 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.137 0.193 25573 847 1 2 . 1 1 65 65 CYS CA C 65 60.908 60.908 63.124 -2.216 25573 848 1 2 . 1 1 65 65 CYS CB C 65 23.892 23.892 25.969 -2.077 25573 849 1 2 . 1 1 65 65 CYS H H 65 9.076 9.076 7.983 1.093 25573 850 1 2 . 1 1 66 66 ASP N N 66 120.537 120.537 121.252 -0.715 25573 851 1 2 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.423 -0.111 25573 852 1 2 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.300 0.464 25573 853 1 2 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.662 -2.477 25573 854 1 2 . 1 1 66 66 ASP H H 66 8.512 8.512 8.402 0.110 25573 855 1 2 . 1 1 67 67 LEU N N 67 119.364 119.364 121.071 -1.707 25573 856 1 2 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.987 -0.017 25573 857 1 2 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.209 -1.223 25573 858 1 2 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.048 -9.302 25573 859 1 2 . 1 1 67 67 LEU H H 67 8.971 8.971 7.784 1.187 25573 860 1 2 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.096 0.333 25573 861 1 2 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.434 -3.670 25573 862 1 2 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.402 0.399 25573 863 1 2 . 1 1 70 70 ARG N N 70 122.186 122.186 119.857 2.329 25573 864 1 2 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.039 0.447 25573 865 1 2 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.605 -7.072 25573 866 1 2 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.294 0.047 25573 867 1 2 . 1 1 70 70 ARG H H 70 8.345 8.345 7.987 0.358 25573 868 1 2 . 1 1 71 71 ARG N N 71 121.616 121.616 117.811 3.805 25573 869 1 2 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.049 -1.425 25573 870 1 2 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.560 -4.381 25573 871 1 2 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.462 0.545 25573 872 1 2 . 1 1 71 71 ARG H H 71 8.480 8.480 8.571 -0.091 25573 873 1 2 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.059 0.013 25573 874 1 2 . 1 1 73 73 LYS CA C 73 55.976 55.976 59.059 -3.083 25573 875 1 2 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.493 -1.741 25573 876 1 2 . 1 1 74 74 PHE N N 74 115.001 115.001 117.565 -2.564 25573 877 1 2 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.304 0.518 25573 878 1 2 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.237 -4.116 25573 879 1 2 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.584 -2.997 25573 880 1 2 . 1 1 74 74 PHE H H 74 8.530 8.530 7.759 0.771 25573 881 1 2 . 1 1 75 75 GLY N N 75 110.366 110.366 105.506 4.860 25573 882 1 2 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.388 -2.384 25573 883 1 2 . 1 1 75 75 GLY H H 75 7.799 7.799 7.591 0.208 25573 884 1 2 . 1 1 76 76 SER N N 76 113.283 113.283 115.657 -2.374 25573 885 1 2 . 1 1 76 76 SER HA H 76 4.523 4.523 4.845 -0.322 25573 886 1 2 . 1 1 76 76 SER CA C 76 54.361 54.361 57.860 -3.499 25573 887 1 2 . 1 1 76 76 SER CB C 76 61.887 61.887 64.163 -2.276 25573 888 1 2 . 1 1 76 76 SER H H 76 8.417 8.417 8.362 0.055 25573 889 1 2 . 1 1 77 77 SER N N 77 114.950 114.950 117.987 -3.037 25573 890 1 2 . 1 1 77 77 SER HA H 77 4.535 4.535 4.773 -0.238 25573 891 1 2 . 1 1 77 77 SER CA C 77 53.833 53.833 57.278 -3.445 25573 892 1 2 . 1 1 77 77 SER CB C 77 63.488 63.488 65.017 -1.529 25573 893 1 2 . 1 1 77 77 SER H H 77 8.428 8.428 7.899 0.529 25573 894 1 2 . 1 1 78 78 LYS N N 78 122.032 122.032 123.328 -1.296 25573 895 1 2 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.027 0.648 25573 896 1 2 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.239 -5.112 25573 897 1 2 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.101 -2.866 25573 898 1 2 . 1 1 78 78 LYS H H 78 9.044 9.044 8.915 0.129 25573 899 1 2 . 1 1 79 79 GLU N N 79 118.232 118.232 118.598 -0.366 25573 900 1 2 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.203 0.089 25573 901 1 2 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.222 -1.118 25573 902 1 2 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.374 -2.528 25573 903 1 2 . 1 1 79 79 GLU H H 79 8.795 8.795 7.972 0.823 25573 904 1 2 . 1 1 80 80 ILE N N 80 120.491 120.491 121.246 -0.755 25573 905 1 2 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.712 0.017 25573 906 1 2 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.943 -3.477 25573 907 1 2 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.858 -1.749 25573 908 1 2 . 1 1 80 80 ILE H H 80 7.892 7.892 7.744 0.148 25573 909 1 2 . 1 1 81 81 ASP N N 81 120.491 120.491 119.213 1.278 25573 910 1 2 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.294 0.012 25573 911 1 2 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.637 -2.263 25573 912 1 2 . 1 1 81 81 ASP CB C 81 37.376 37.376 41.140 -3.764 25573 913 1 2 . 1 1 81 81 ASP H H 81 8.424 8.424 8.380 0.044 25573 914 1 2 . 1 1 82 82 MET N N 82 118.588 118.588 119.748 -1.160 25573 915 1 2 . 1 1 82 82 MET HA H 82 4.610 4.610 4.083 0.527 25573 916 1 2 . 1 1 82 82 MET CA C 82 54.472 54.472 59.067 -4.595 25573 917 1 2 . 1 1 82 82 MET CB C 82 29.557 29.557 32.262 -2.705 25573 918 1 2 . 1 1 82 82 MET H H 82 8.215 8.215 8.140 0.075 25573 919 1 2 . 1 1 83 83 ALA N N 83 127.525 127.525 123.551 3.974 25573 920 1 2 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.163 -0.064 25573 921 1 2 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.108 -1.200 25573 922 1 2 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.304 -3.494 25573 923 1 2 . 1 1 83 83 ALA H H 83 10.165 10.165 7.867 2.298 25573 924 1 2 . 1 1 84 84 ILE N N 84 115.968 115.968 117.960 -1.992 25573 925 1 2 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.733 -0.199 25573 926 1 2 . 1 1 84 84 ILE CA C 84 64.377 64.377 63.346 1.031 25573 927 1 2 . 1 1 84 84 ILE CB C 84 35.417 35.417 36.640 -1.223 25573 928 1 2 . 1 1 84 84 ILE H H 84 8.437 8.437 7.832 0.605 25573 929 1 2 . 1 1 85 85 VAL N N 85 117.106 117.106 120.065 -2.959 25573 930 1 2 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.543 0.502 25573 931 1 2 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.436 -11.511 25573 932 1 2 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.511 -2.326 25573 933 1 2 . 1 1 85 85 VAL H H 85 7.835 7.835 8.049 -0.214 25573 934 1 2 . 1 1 86 86 THR N N 86 116.673 116.673 114.445 2.228 25573 935 1 2 . 1 1 86 86 THR HA H 86 4.181 4.181 3.905 0.276 25573 936 1 2 . 1 1 86 86 THR CA C 86 59.627 59.627 66.118 -6.491 25573 937 1 2 . 1 1 86 86 THR CB C 86 65.856 65.856 68.739 -2.883 25573 938 1 2 . 1 1 86 86 THR H H 86 8.254 8.254 8.083 0.171 25573 939 1 2 . 1 1 87 87 LEU N N 87 121.447 121.447 121.777 -0.330 25573 940 1 2 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.092 0.490 25573 941 1 2 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.883 -1.027 25573 942 1 2 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.181 -9.356 25573 943 1 2 . 1 1 87 87 LEU H H 87 7.913 7.913 7.900 0.013 25573 944 1 2 . 1 1 88 88 LYS N N 88 119.505 119.505 119.997 -0.492 25573 945 1 2 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.657 0.484 25573 946 1 2 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.541 -3.471 25573 947 1 2 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.292 -2.405 25573 948 1 2 . 1 1 88 88 LYS H H 88 7.970 7.970 7.566 0.404 25573 949 1 2 . 1 1 89 89 VAL N N 89 119.366 119.366 119.382 -0.016 25573 950 1 2 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.655 0.165 25573 951 1 2 . 1 1 89 89 VAL CA C 89 56.956 56.956 65.927 -8.971 25573 952 1 2 . 1 1 89 89 VAL H H 89 8.082 8.082 8.164 -0.082 25573 953 1 2 . 1 1 90 90 PHE N N 90 119.366 119.366 120.460 -1.094 25573 954 1 2 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.931 0.493 25573 955 1 2 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.493 -4.342 25573 956 1 2 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.142 -2.512 25573 957 1 2 . 1 1 90 90 PHE H H 90 8.104 8.104 8.484 -0.380 25573 958 1 2 . 1 1 91 91 ALA N N 91 118.916 118.916 121.598 -2.682 25573 959 1 2 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.595 0.921 25573 960 1 2 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.856 -0.444 25573 961 1 2 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.024 -2.134 25573 962 1 2 . 1 1 91 91 ALA H H 91 8.187 8.187 7.436 0.751 25573 963 1 2 . 1 1 92 92 VAL N N 92 113.741 113.741 118.752 -5.011 25573 964 1 2 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.755 -0.168 25573 965 1 2 . 1 1 92 92 VAL CA C 92 63.579 63.579 64.840 -1.261 25573 966 1 2 . 1 1 92 92 VAL CB C 92 30.792 30.792 30.661 0.131 25573 967 1 2 . 1 1 92 92 VAL H H 92 8.196 8.196 8.176 0.020 25573 968 1 2 . 1 1 93 93 ALA N N 93 119.366 119.366 120.692 -1.326 25573 969 1 2 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.268 0.426 25573 970 1 2 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.595 -4.314 25573 971 1 2 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.281 -1.566 25573 972 1 2 . 1 1 93 93 ALA H H 93 8.564 8.564 8.320 0.244 25573 973 1 2 . 1 1 94 94 GLY N N 94 104.958 104.958 106.572 -1.614 25573 974 1 2 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.592 -1.668 25573 975 1 2 . 1 1 94 94 GLY H H 94 6.940 6.940 7.419 -0.479 25573 976 1 2 . 1 1 95 95 LEU N N 95 120.679 120.679 121.240 -0.561 25573 977 1 2 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.992 0.013 25573 978 1 2 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.218 -2.814 25573 979 1 2 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.830 -3.605 25573 980 1 2 . 1 1 95 95 LEU H H 95 7.724 7.724 7.685 0.039 25573 981 1 2 . 1 1 96 96 LEU N N 96 115.261 115.261 116.533 -1.272 25573 982 1 2 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.342 -0.067 25573 983 1 2 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.468 -2.198 25573 984 1 2 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.096 -3.410 25573 985 1 2 . 1 1 96 96 LEU H H 96 7.723 7.723 7.689 0.034 25573 986 1 2 . 1 1 97 97 ASN N N 97 112.672 112.672 115.360 -2.688 25573 987 1 2 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.454 -0.213 25573 988 1 2 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.433 -3.233 25573 989 1 2 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.499 -3.054 25573 990 1 2 . 1 1 97 97 ASN H H 97 6.694 6.694 7.353 -0.659 25573 991 1 2 . 1 1 98 98 MET N N 98 115.968 115.968 117.676 -1.708 25573 992 1 2 . 1 1 98 98 MET HA H 98 4.614 4.614 4.454 0.160 25573 993 1 2 . 1 1 98 98 MET CA C 98 51.685 51.685 56.377 -4.692 25573 994 1 2 . 1 1 98 98 MET CB C 98 29.808 29.808 32.901 -3.093 25573 995 1 2 . 1 1 98 98 MET H H 98 8.168 8.168 7.774 0.394 25573 996 1 2 . 1 1 99 99 THR N N 99 118.683 118.683 117.194 1.489 25573 997 1 2 . 1 1 99 99 THR HA H 99 4.184 4.184 4.470 -0.286 25573 998 1 2 . 1 1 99 99 THR CA C 99 59.813 59.813 60.780 -0.967 25573 999 1 2 . 1 1 99 99 THR CB C 99 65.438 65.438 68.180 -2.742 25573 1000 1 2 . 1 1 99 99 THR H H 99 8.562 8.562 8.380 0.182 25573 1001 1 2 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.193 -0.074 25573 1002 1 2 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.309 -5.607 25573 1003 1 2 . 1 1 100 100 VAL H H 100 8.392 8.392 7.544 0.848 25573 1004 1 2 . 1 1 101 101 SER N N 101 121.736 121.736 117.707 4.029 25573 1005 1 2 . 1 1 101 101 SER HA H 101 4.645 4.645 4.839 -0.194 25573 1006 1 2 . 1 1 101 101 SER CA C 101 56.852 56.852 58.059 -1.206 25573 1007 1 2 . 1 1 101 101 SER CB C 101 61.739 61.739 63.841 -2.102 25573 1008 1 2 . 1 1 101 101 SER H H 101 8.079 8.079 8.775 -0.696 25573 1009 1 2 . 1 1 102 102 THR N N 102 110.147 110.147 111.790 -1.643 25573 1010 1 2 . 1 1 102 102 THR HA H 102 5.450 5.450 4.831 0.619 25573 1011 1 2 . 1 1 102 102 THR CA C 102 56.522 56.522 60.746 -4.224 25573 1012 1 2 . 1 1 102 102 THR CB C 102 71.007 71.007 71.294 -0.287 25573 1013 1 2 . 1 1 102 102 THR H H 102 7.276 7.276 7.441 -0.165 25573 1014 1 2 . 1 1 103 103 ALA N N 103 124.013 124.013 128.526 -4.513 25573 1015 1 2 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.005 -0.051 25573 1016 1 2 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.568 -3.290 25573 1017 1 2 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.674 -2.990 25573 1018 1 2 . 1 1 103 103 ALA H H 103 8.433 8.433 8.446 -0.013 25573 1019 1 2 . 1 1 104 104 ALA N N 104 119.649 119.649 120.173 -0.524 25573 1020 1 2 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.037 0.249 25573 1021 1 2 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.484 -2.182 25573 1022 1 2 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.229 -1.709 25573 1023 1 2 . 1 1 104 104 ALA H H 104 8.474 8.474 8.301 0.173 25573 1024 1 2 . 1 1 105 105 ALA N N 105 120.587 120.587 121.469 -0.882 25573 1025 1 2 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.954 0.310 25573 1026 1 2 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.887 -2.689 25573 1027 1 2 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.544 -2.799 25573 1028 1 2 . 1 1 105 105 ALA H H 105 8.050 8.050 7.668 0.382 25573 1029 1 2 . 1 1 106 106 ALA N N 106 121.752 121.752 121.497 0.255 25573 1030 1 2 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.934 -0.667 25573 1031 1 2 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.368 -3.857 25573 1032 1 2 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.205 -2.157 25573 1033 1 2 . 1 1 106 106 ALA H H 106 8.071 8.071 7.962 0.109 25573 1034 1 2 . 1 1 107 107 GLU N N 107 119.133 119.133 119.342 -0.209 25573 1035 1 2 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.962 -0.103 25573 1036 1 2 . 1 1 107 107 GLU CA C 107 57.335 57.335 60.055 -2.720 25573 1037 1 2 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.704 -2.595 25573 1038 1 2 . 1 1 107 107 GLU H H 107 8.711 8.711 7.981 0.730 25573 1039 1 2 . 1 1 108 108 ASN N N 108 118.306 118.306 117.350 0.956 25573 1040 1 2 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.477 0.124 25573 1041 1 2 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.419 -2.448 25573 1042 1 2 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.569 -3.117 25573 1043 1 2 . 1 1 108 108 ASN H H 108 8.045 8.045 7.989 0.056 25573 1044 1 2 . 1 1 109 109 MET N N 109 120.038 120.038 121.143 -1.105 25573 1045 1 2 . 1 1 109 109 MET HA H 109 4.305 4.305 4.277 0.028 25573 1046 1 2 . 1 1 109 109 MET CA C 109 55.602 55.602 57.296 -1.694 25573 1047 1 2 . 1 1 109 109 MET CB C 109 29.771 29.771 32.128 -2.357 25573 1048 1 2 . 1 1 109 109 MET H H 109 8.401 8.401 7.827 0.574 25573 1049 1 2 . 1 1 110 110 TYR N N 110 121.616 121.616 119.732 1.884 25573 1050 1 2 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.085 -0.422 25573 1051 1 2 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.119 -2.194 25573 1052 1 2 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.140 -2.214 25573 1053 1 2 . 1 1 110 110 TYR H H 110 8.651 8.651 8.909 -0.258 25573 1054 1 2 . 1 1 111 111 SER N N 111 110.621 110.621 113.283 -2.662 25573 1055 1 2 . 1 1 111 111 SER HA H 111 4.540 4.540 4.155 0.385 25573 1056 1 2 . 1 1 111 111 SER CA C 111 58.395 58.395 60.499 -2.104 25573 1057 1 2 . 1 1 111 111 SER CB C 111 60.600 60.600 63.088 -2.488 25573 1058 1 2 . 1 1 111 111 SER H H 111 7.394 7.394 8.102 -0.708 25573 1059 1 2 . 1 1 112 112 GLN N N 112 125.643 125.643 120.838 4.805 25573 1060 1 2 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.031 0.028 25573 1061 1 2 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.465 -2.382 25573 1062 1 2 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.922 -3.277 25573 1063 1 2 . 1 1 112 112 GLN H H 112 8.774 8.774 7.862 0.912 25573 1064 1 2 . 1 1 113 113 MET N N 113 114.866 114.866 117.182 -2.316 25573 1065 1 2 . 1 1 113 113 MET HA H 113 4.275 4.275 4.367 -0.092 25573 1066 1 2 . 1 1 113 113 MET CA C 113 53.246 53.246 55.827 -2.581 25573 1067 1 2 . 1 1 113 113 MET CB C 113 31.365 31.365 33.448 -2.083 25573 1068 1 2 . 1 1 113 113 MET H H 113 8.070 8.070 7.994 0.076 25573 1069 1 2 . 1 1 114 114 GLY N N 114 107.252 107.252 104.988 2.264 25573 1070 1 2 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.229 -2.269 25573 1071 1 2 . 1 1 114 114 GLY H H 114 8.012 8.012 7.613 0.399 25573 1072 1 2 . 1 1 115 115 LEU N N 115 114.939 114.939 118.567 -3.628 25573 1073 1 2 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.250 -0.375 25573 1074 1 2 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.857 -1.648 25573 1075 1 2 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.604 -6.146 25573 1076 1 2 . 1 1 115 115 LEU H H 115 7.447 7.447 7.841 -0.394 25573 1077 1 2 . 1 1 116 116 ASP N N 116 116.423 116.423 118.785 -2.362 25573 1078 1 2 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.726 -0.056 25573 1079 1 2 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.507 -2.204 25573 1080 1 2 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.459 -5.140 25573 1081 1 2 . 1 1 116 116 ASP H H 116 8.518 8.518 7.721 0.797 25573 1082 1 2 . 1 1 117 117 THR N N 117 113.582 113.582 110.982 2.600 25573 1083 1 2 . 1 1 117 117 THR HA H 117 4.194 4.194 4.487 -0.293 25573 1084 1 2 . 1 1 117 117 THR CA C 117 58.925 58.925 61.043 -2.118 25573 1085 1 2 . 1 1 117 117 THR CB C 117 67.320 67.320 70.839 -3.519 25573 1086 1 2 . 1 1 117 117 THR H H 117 7.240 7.240 8.111 -0.871 25573 1087 1 2 . 1 1 118 118 ARG N N 118 126.068 126.068 119.382 6.686 25573 1088 1 2 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.188 0.378 25573 1089 1 2 . 1 1 118 118 ARG CA C 118 52.343 52.343 56.109 -3.766 25573 1090 1 2 . 1 1 118 118 ARG CB C 118 33.708 33.708 28.675 5.033 25573 1091 1 2 . 1 1 118 118 ARG H H 118 8.711 8.711 8.534 0.177 25573 1092 1 2 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.493 -2.415 25573 1093 1 2 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.863 -2.820 25573 1094 1 2 . 1 1 120 120 SER N N 120 116.251 116.251 119.960 -3.709 25573 1095 1 2 . 1 1 120 120 SER HA H 120 4.385 4.385 4.708 -0.323 25573 1096 1 2 . 1 1 120 120 SER CA C 120 55.352 55.352 57.452 -2.100 25573 1097 1 2 . 1 1 120 120 SER CB C 120 61.037 61.037 64.394 -3.357 25573 1098 1 2 . 1 1 120 120 SER H H 120 8.385 8.385 7.944 0.441 25573 1099 1 2 . 1 1 121 121 MET N N 121 123.171 123.171 120.889 2.282 25573 1100 1 2 . 1 1 121 121 MET HA H 121 4.289 4.289 4.349 -0.060 25573 1101 1 2 . 1 1 121 121 MET CA C 121 53.282 53.282 56.557 -3.275 25573 1102 1 2 . 1 1 121 121 MET CB C 121 30.755 30.755 32.578 -1.823 25573 1103 1 2 . 1 1 121 121 MET H H 121 8.297 8.297 8.476 -0.179 25573 1104 1 2 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.131 0.127 25573 1105 1 2 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.806 -3.136 25573 1106 1 2 . 1 1 123 123 GLU N N 123 122.135 122.135 120.380 1.755 25573 1107 1 2 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.105 -8.203 25573 1108 1 2 . 1 1 123 123 GLU CB C 123 30.404 30.404 30.159 0.245 25573 1109 1 2 . 1 1 123 123 GLU H H 123 8.505 8.505 8.463 0.042 25573 1110 1 2 . 1 1 124 124 ALA N N 124 125.340 125.340 126.179 -0.839 25573 1111 1 2 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.765 -0.434 25573 1112 1 2 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.986 -2.153 25573 1113 1 2 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.669 -4.004 25573 1114 1 2 . 1 1 124 124 ALA H H 124 8.422 8.422 8.365 0.057 25573 1115 1 2 . 1 1 125 125 GLY N N 125 108.426 108.426 108.125 0.301 25573 1116 1 2 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.643 -1.902 25573 1117 1 2 . 1 1 125 125 GLY H H 125 8.401 8.401 8.550 -0.149 25573 1118 1 2 . 1 1 126 126 GLY N N 126 109.792 109.792 107.759 2.033 25573 1119 1 2 . 1 1 126 126 GLY CA C 126 42.247 42.247 45.018 -2.771 25573 1120 1 2 . 1 1 126 126 GLY H H 126 8.515 8.515 8.367 0.148 25573 1121 1 2 . 1 1 127 127 LYS N N 127 120.366 120.366 118.889 1.477 25573 1122 1 2 . 1 1 127 127 LYS HA H 127 4.321 4.321 3.904 0.417 25573 1123 1 2 . 1 1 127 127 LYS CA C 127 53.544 53.544 57.145 -3.601 25573 1124 1 2 . 1 1 127 127 LYS CB C 127 30.352 30.352 31.772 -1.420 25573 1125 1 2 . 1 1 127 127 LYS H H 127 8.244 8.244 7.775 0.469 25573 1126 1 2 . 1 1 128 128 GLU N N 128 122.270 122.270 120.692 1.578 25573 1127 1 2 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.041 0.003 25573 1128 1 2 . 1 1 128 128 GLU H H 128 8.559 8.559 8.596 -0.037 25573 1129 1 2 . 1 1 129 129 GLU N N 129 122.282 122.282 123.414 -1.132 25573 1130 1 2 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.132 0.404 25573 1131 1 2 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.408 -0.219 25573 1132 1 2 . 1 1 129 129 GLU H H 129 8.027 8.027 8.727 -0.700 25573 1133 1 2 . 1 1 130 130 GLY N N 130 110.258 110.258 112.837 -2.579 25573 1134 1 2 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.703 -3.042 25573 1135 1 2 . 1 1 130 130 GLY H H 130 10.190 10.190 8.544 1.646 25573 1136 1 2 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.456 -0.077 25573 1137 1 2 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.043 -2.574 25573 1138 1 2 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.490 -3.259 25573 1139 1 2 . 1 1 133 133 GLN N N 133 119.932 119.932 121.445 -1.513 25573 1140 1 2 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.487 -0.168 25573 1141 1 2 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.288 -2.038 25573 1142 1 2 . 1 1 133 133 GLN CB C 133 29.655 29.655 30.307 -0.652 25573 1143 1 2 . 1 1 133 133 GLN H H 133 8.478 8.478 8.487 -0.009 25573 1144 1 2 . 1 1 134 134 ALA N N 134 124.828 124.828 126.749 -1.921 25573 1145 1 2 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.562 -0.313 25573 1146 1 2 . 1 1 134 134 ALA CA C 134 49.692 49.692 51.545 -1.853 25573 1147 1 2 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.355 -3.331 25573 1148 1 2 . 1 1 134 134 ALA H H 134 8.263 8.263 8.647 -0.384 25573 1149 1 3 . 1 1 3 3 ASN N N 3 119.366 119.366 118.754 0.612 25573 1150 1 3 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.542 0.041 25573 1151 1 3 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.145 -1.754 25573 1152 1 3 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.565 -2.853 25573 1153 1 3 . 1 1 3 3 ASN H H 3 8.596 8.596 8.557 0.039 25573 1154 1 3 . 1 1 4 4 GLY N N 4 112.829 112.829 107.598 5.231 25573 1155 1 3 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.271 -1.569 25573 1156 1 3 . 1 1 4 4 GLY H H 4 8.073 8.073 8.220 -0.147 25573 1157 1 3 . 1 1 5 5 ALA N N 5 123.630 123.630 121.558 2.072 25573 1158 1 3 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.914 -0.511 25573 1159 1 3 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.315 -2.675 25573 1160 1 3 . 1 1 5 5 ALA CB C 5 16.414 16.414 20.728 -4.314 25573 1161 1 3 . 1 1 5 5 ALA H H 5 8.008 8.008 8.135 -0.127 25573 1162 1 3 . 1 1 6 6 SER N N 6 114.866 114.866 118.788 -3.922 25573 1163 1 3 . 1 1 6 6 SER HA H 6 4.270 4.270 4.446 -0.176 25573 1164 1 3 . 1 1 6 6 SER CA C 6 56.023 56.023 58.859 -2.836 25573 1165 1 3 . 1 1 6 6 SER CB C 6 60.936 60.936 63.563 -2.627 25573 1166 1 3 . 1 1 6 6 SER H H 6 8.293 8.293 8.679 -0.386 25573 1167 1 3 . 1 1 7 7 ARG N N 7 119.250 119.250 123.474 -4.224 25573 1168 1 3 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.264 0.242 25573 1169 1 3 . 1 1 7 7 ARG CB C 7 30.422 30.422 29.797 0.625 25573 1170 1 3 . 1 1 7 7 ARG H H 7 8.305 8.305 8.542 -0.237 25573 1171 1 3 . 1 1 8 8 ASP N N 8 119.662 119.662 119.540 0.122 25573 1172 1 3 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.432 -0.279 25573 1173 1 3 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.188 -1.634 25573 1174 1 3 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.628 -14.127 25573 1175 1 3 . 1 1 8 8 ASP H H 8 7.915 7.915 8.783 -0.868 25573 1176 1 3 . 1 1 9 9 TRP N N 9 121.861 121.861 121.394 0.467 25573 1177 1 3 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.463 -0.347 25573 1178 1 3 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.034 -4.072 25573 1179 1 3 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.498 -1.476 25573 1180 1 3 . 1 1 9 9 TRP H H 9 8.222 8.222 7.937 0.285 25573 1181 1 3 . 1 1 10 10 LYS N N 10 118.681 118.681 120.276 -1.595 25573 1182 1 3 . 1 1 10 10 LYS HA H 10 4.282 4.282 4.033 0.249 25573 1183 1 3 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.600 -0.701 25573 1184 1 3 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.287 -4.248 25573 1185 1 3 . 1 1 10 10 LYS H H 10 8.003 8.003 8.092 -0.089 25573 1186 1 3 . 1 1 11 11 MET N N 11 119.366 119.366 117.792 1.574 25573 1187 1 3 . 1 1 11 11 MET HA H 11 4.559 4.559 4.223 0.336 25573 1188 1 3 . 1 1 11 11 MET CA C 11 53.485 53.485 58.699 -5.214 25573 1189 1 3 . 1 1 11 11 MET H H 11 8.041 8.041 7.984 0.057 25573 1190 1 3 . 1 1 12 12 ALA N N 12 122.650 122.650 123.130 -0.480 25573 1191 1 3 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.029 0.180 25573 1192 1 3 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.980 4.819 25573 1193 1 3 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.285 -0.513 25573 1194 1 3 . 1 1 12 12 ALA H H 12 7.904 7.904 7.965 -0.061 25573 1195 1 3 . 1 1 13 13 ILE N N 13 117.322 117.322 117.322 0.000 25573 1196 1 3 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.398 2.180 25573 1197 1 3 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.802 -7.899 25573 1198 1 3 . 1 1 13 13 ILE H H 13 8.380 8.380 7.822 0.558 25573 1199 1 3 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.045 1.871 25573 1200 1 3 . 1 1 16 16 CYS N N 16 116.263 116.263 120.876 -4.613 25573 1201 1 3 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.128 -0.083 25573 1202 1 3 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.286 -2.502 25573 1203 1 3 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.775 2.035 25573 1204 1 3 . 1 1 16 16 CYS H H 16 7.799 7.799 7.990 -0.191 25573 1205 1 3 . 1 1 17 17 SER N N 17 114.606 114.606 116.623 -2.017 25573 1206 1 3 . 1 1 17 17 SER HA H 17 4.952 4.952 4.468 0.484 25573 1207 1 3 . 1 1 17 17 SER CA C 17 58.171 58.171 61.326 -3.155 25573 1208 1 3 . 1 1 17 17 SER CB C 17 60.740 60.740 63.098 -2.358 25573 1209 1 3 . 1 1 17 17 SER H H 17 7.830 7.830 8.326 -0.496 25573 1210 1 3 . 1 1 18 18 ASN N N 18 116.143 116.143 118.681 -2.538 25573 1211 1 3 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.855 0.153 25573 1212 1 3 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.300 -1.825 25573 1213 1 3 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.538 -1.250 25573 1214 1 3 . 1 1 18 18 ASN H H 18 7.557 7.557 7.784 -0.227 25573 1215 1 3 . 1 1 19 19 VAL N N 19 121.616 121.616 119.604 2.012 25573 1216 1 3 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.335 -0.836 25573 1217 1 3 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.247 -0.517 25573 1218 1 3 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.118 -5.076 25573 1219 1 3 . 1 1 19 19 VAL H H 19 7.919 7.919 7.683 0.236 25573 1220 1 3 . 1 1 20 20 ALA N N 20 129.139 129.139 129.520 -0.381 25573 1221 1 3 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.634 0.161 25573 1222 1 3 . 1 1 20 20 ALA C C 20 169.500 169.500 177.832 -8.332 25573 1223 1 3 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.614 -0.199 25573 1224 1 3 . 1 1 20 20 ALA CB C 20 17.716 17.716 22.500 -4.784 25573 1225 1 3 . 1 1 20 20 ALA H H 20 8.150 8.150 7.296 0.854 25573 1226 1 3 . 1 1 21 21 VAL N N 21 120.390 120.390 120.067 0.323 25573 1227 1 3 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.782 -0.015 25573 1228 1 3 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.030 -0.452 25573 1229 1 3 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.483 -1.737 25573 1230 1 3 . 1 1 21 21 VAL H H 21 8.319 8.319 8.203 0.116 25573 1231 1 3 . 1 1 22 22 GLY N N 22 108.884 108.884 104.359 4.525 25573 1232 1 3 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.905 -1.937 25573 1233 1 3 . 1 1 22 22 GLY H H 22 8.221 8.221 7.595 0.626 25573 1234 1 3 . 1 1 23 23 VAL N N 23 117.439 117.439 116.438 1.001 25573 1235 1 3 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.981 0.257 25573 1236 1 3 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.832 -4.744 25573 1237 1 3 . 1 1 23 23 VAL CB C 23 30.434 30.434 31.736 -1.302 25573 1238 1 3 . 1 1 23 23 VAL H H 23 8.003 8.003 8.355 -0.352 25573 1239 1 3 . 1 1 24 24 GLY N N 24 112.616 112.616 106.744 5.872 25573 1240 1 3 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.395 -1.615 25573 1241 1 3 . 1 1 24 24 GLY H H 24 8.716 8.716 7.466 1.250 25573 1242 1 3 . 1 1 25 25 GLY N N 25 108.753 108.753 108.270 0.483 25573 1243 1 3 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.145 -3.145 25573 1244 1 3 . 1 1 25 25 GLY H H 25 8.286 8.286 8.238 0.048 25573 1245 1 3 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.347 0.029 25573 1246 1 3 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.121 -2.609 25573 1247 1 3 . 1 1 27 27 SER HA H 27 4.922 4.922 4.661 0.261 25573 1248 1 3 . 1 1 27 27 SER CA C 27 56.876 56.876 57.199 -0.323 25573 1249 1 3 . 1 1 27 27 SER CB C 27 64.578 64.578 65.217 -0.639 25573 1250 1 3 . 1 1 27 27 SER H H 27 7.831 7.831 7.971 -0.140 25573 1251 1 3 . 1 1 28 28 LYS N N 28 122.919 122.919 121.635 1.284 25573 1252 1 3 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.515 -0.331 25573 1253 1 3 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.206 1.333 25573 1254 1 3 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.528 -1.162 25573 1255 1 3 . 1 1 28 28 LYS H H 28 8.589 8.589 8.445 0.144 25573 1256 1 3 . 1 1 29 29 LYS N N 29 120.917 120.917 119.622 1.295 25573 1257 1 3 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.809 -0.426 25573 1258 1 3 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.008 -1.472 25573 1259 1 3 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.237 -2.162 25573 1260 1 3 . 1 1 29 29 LYS H H 29 8.471 8.471 8.077 0.394 25573 1261 1 3 . 1 1 30 30 PHE N N 30 119.366 119.366 117.959 1.407 25573 1262 1 3 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.700 -0.842 25573 1263 1 3 . 1 1 30 30 PHE CA C 30 58.172 58.172 56.089 2.083 25573 1264 1 3 . 1 1 30 30 PHE CB C 30 38.242 38.242 41.435 -3.193 25573 1265 1 3 . 1 1 30 30 PHE H H 30 8.000 8.000 8.015 -0.015 25573 1266 1 3 . 1 1 31 31 GLY N N 31 106.991 106.991 106.665 0.326 25573 1267 1 3 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.508 -3.572 25573 1268 1 3 . 1 1 31 31 GLY H H 31 8.404 8.404 7.816 0.588 25573 1269 1 3 . 1 1 32 32 GLU N N 32 120.491 120.491 120.050 0.441 25573 1270 1 3 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.112 0.000 25573 1271 1 3 . 1 1 32 32 GLU CA C 32 58.171 58.171 60.588 -2.417 25573 1272 1 3 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.591 -2.285 25573 1273 1 3 . 1 1 32 32 GLU H H 32 9.168 9.168 8.748 0.420 25573 1274 1 3 . 1 1 33 33 GLY N N 33 109.241 109.241 106.057 3.184 25573 1275 1 3 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.767 -3.176 25573 1276 1 3 . 1 1 33 33 GLY H H 33 8.613 8.613 8.603 0.010 25573 1277 1 3 . 1 1 34 34 ASN N N 34 118.241 118.241 120.337 -2.096 25573 1278 1 3 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.540 -0.502 25573 1279 1 3 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.801 -1.338 25573 1280 1 3 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.497 -2.103 25573 1281 1 3 . 1 1 34 34 ASN H H 34 7.897 7.897 7.101 0.796 25573 1282 1 3 . 1 1 35 35 PHE N N 35 117.116 117.116 118.808 -1.692 25573 1283 1 3 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.066 0.022 25573 1284 1 3 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.840 -1.528 25573 1285 1 3 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.526 -1.698 25573 1286 1 3 . 1 1 35 35 PHE H H 35 7.180 7.180 7.638 -0.458 25573 1287 1 3 . 1 1 36 36 ARG N N 36 117.825 117.825 118.650 -0.825 25573 1288 1 3 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.072 -0.500 25573 1289 1 3 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.578 -1.336 25573 1290 1 3 . 1 1 36 36 ARG CB C 36 33.997 33.997 30.023 3.974 25573 1291 1 3 . 1 1 36 36 ARG H H 36 8.278 8.278 8.040 0.238 25573 1292 1 3 . 1 1 37 37 TRP N N 37 118.845 118.845 121.618 -2.773 25573 1293 1 3 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.228 -0.094 25573 1294 1 3 . 1 1 37 37 TRP CA C 37 58.900 58.900 60.825 -1.925 25573 1295 1 3 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.301 -1.852 25573 1296 1 3 . 1 1 37 37 TRP H H 37 8.106 8.106 7.999 0.107 25573 1297 1 3 . 1 1 38 38 ALA N N 38 119.609 119.609 123.217 -3.608 25573 1298 1 3 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.898 0.531 25573 1299 1 3 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.663 -1.769 25573 1300 1 3 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.545 -2.146 25573 1301 1 3 . 1 1 38 38 ALA H H 38 8.332 8.332 7.878 0.454 25573 1302 1 3 . 1 1 39 39 ILE N N 39 114.866 114.866 120.265 -5.399 25573 1303 1 3 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.654 0.710 25573 1304 1 3 . 1 1 39 39 ILE CA C 39 55.584 55.584 64.694 -9.110 25573 1305 1 3 . 1 1 39 39 ILE CB C 39 31.492 31.492 38.246 -6.754 25573 1306 1 3 . 1 1 39 39 ILE H H 39 8.161 8.161 7.800 0.361 25573 1307 1 3 . 1 1 40 40 ARG N N 40 120.240 120.240 119.633 0.607 25573 1308 1 3 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.936 0.130 25573 1309 1 3 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.371 -2.732 25573 1310 1 3 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.966 -0.157 25573 1311 1 3 . 1 1 40 40 ARG H H 40 8.446 8.446 8.472 -0.026 25573 1312 1 3 . 1 1 41 41 MET HA H 41 4.305 4.305 3.892 0.413 25573 1313 1 3 . 1 1 41 41 MET CA C 41 53.585 53.585 57.398 -3.813 25573 1314 1 3 . 1 1 41 41 MET CB C 41 29.902 29.902 31.482 -1.580 25573 1315 1 3 . 1 1 42 42 ALA N N 42 122.782 122.782 121.894 0.888 25573 1316 1 3 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.949 0.600 25573 1317 1 3 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.271 -2.995 25573 1318 1 3 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.077 -1.217 25573 1319 1 3 . 1 1 42 42 ALA H H 42 8.556 8.556 8.043 0.513 25573 1320 1 3 . 1 1 43 43 ASN N N 43 119.366 119.366 117.146 2.220 25573 1321 1 3 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.454 0.240 25573 1322 1 3 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.783 -5.447 25573 1323 1 3 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.038 -2.347 25573 1324 1 3 . 1 1 43 43 ASN H H 43 8.613 8.613 7.892 0.721 25573 1325 1 3 . 1 1 44 44 VAL N N 44 118.466 118.466 118.787 -0.321 25573 1326 1 3 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.860 0.039 25573 1327 1 3 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.648 -2.554 25573 1328 1 3 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.895 -2.974 25573 1329 1 3 . 1 1 44 44 VAL H H 44 8.464 8.464 7.752 0.712 25573 1330 1 3 . 1 1 45 45 SER N N 45 113.763 113.763 114.838 -1.075 25573 1331 1 3 . 1 1 45 45 SER HA H 45 4.328 4.328 4.142 0.186 25573 1332 1 3 . 1 1 45 45 SER CA C 45 58.553 58.553 61.107 -2.554 25573 1333 1 3 . 1 1 45 45 SER CB C 45 61.343 61.343 63.365 -2.022 25573 1334 1 3 . 1 1 45 45 SER H H 45 7.963 7.963 8.021 -0.058 25573 1335 1 3 . 1 1 46 46 THR N N 46 106.729 106.729 111.343 -4.614 25573 1336 1 3 . 1 1 46 46 THR HA H 46 4.602 4.602 4.245 0.357 25573 1337 1 3 . 1 1 46 46 THR CA C 46 58.026 58.026 63.979 -5.953 25573 1338 1 3 . 1 1 46 46 THR CB C 46 67.285 67.285 69.436 -2.151 25573 1339 1 3 . 1 1 46 46 THR H H 46 7.560 7.560 8.189 -0.629 25573 1340 1 3 . 1 1 47 47 GLY N N 47 109.384 109.384 109.711 -0.327 25573 1341 1 3 . 1 1 47 47 GLY CA C 47 43.809 43.809 44.930 -1.121 25573 1342 1 3 . 1 1 47 47 GLY H H 47 7.539 7.539 7.096 0.443 25573 1343 1 3 . 1 1 48 48 ARG N N 48 120.563 120.563 120.432 0.131 25573 1344 1 3 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.327 0.026 25573 1345 1 3 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.350 -4.011 25573 1346 1 3 . 1 1 48 48 ARG CB C 48 29.760 29.760 32.200 -2.440 25573 1347 1 3 . 1 1 48 48 ARG H H 48 8.220 8.220 8.095 0.125 25573 1348 1 3 . 1 1 49 49 GLU N N 49 122.874 122.874 122.029 0.845 25573 1349 1 3 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.103 0.219 25573 1350 1 3 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.947 -2.813 25573 1351 1 3 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.805 -0.701 25573 1352 1 3 . 1 1 49 49 GLU H H 49 8.661 8.661 8.546 0.115 25573 1353 1 3 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.399 1.495 25573 1354 1 3 . 1 1 51 51 GLY N N 51 102.859 102.859 108.982 -6.123 25573 1355 1 3 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.664 -3.587 25573 1356 1 3 . 1 1 51 51 GLY H H 51 8.368 8.368 8.407 -0.039 25573 1357 1 3 . 1 1 52 52 ASP N N 52 120.491 120.491 121.080 -0.589 25573 1358 1 3 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.945 -0.565 25573 1359 1 3 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.527 -1.846 25573 1360 1 3 . 1 1 52 52 ASP CB C 52 37.801 37.801 44.015 -6.214 25573 1361 1 3 . 1 1 52 52 ASP H H 52 7.204 7.204 8.177 -0.973 25573 1362 1 3 . 1 1 53 53 ILE N N 53 127.662 127.662 113.750 13.912 25573 1363 1 3 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.797 -0.267 25573 1364 1 3 . 1 1 53 53 ILE CA C 53 54.127 54.127 57.877 -3.750 25573 1365 1 3 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.786 -3.292 25573 1366 1 3 . 1 1 53 53 ILE H H 53 8.255 8.255 8.220 0.035 25573 1367 1 3 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.562 -0.076 25573 1368 1 3 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.907 -2.788 25573 1369 1 3 . 1 1 54 54 PRO CB C 54 28.795 28.795 30.520 -1.724 25573 1370 1 3 . 1 1 55 55 GLU N N 55 117.116 117.116 122.226 -5.110 25573 1371 1 3 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.052 0.454 25573 1372 1 3 . 1 1 55 55 GLU CA C 55 54.283 54.283 58.358 -4.075 25573 1373 1 3 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.324 0.358 25573 1374 1 3 . 1 1 55 55 GLU H H 55 8.580 8.580 8.303 0.277 25573 1375 1 3 . 1 1 56 56 THR N N 56 105.122 105.122 108.700 -3.578 25573 1376 1 3 . 1 1 56 56 THR HA H 56 4.832 4.832 4.482 0.350 25573 1377 1 3 . 1 1 56 56 THR CA C 56 55.381 55.381 60.303 -4.922 25573 1378 1 3 . 1 1 56 56 THR CB C 56 70.771 70.771 71.532 -0.761 25573 1379 1 3 . 1 1 56 56 THR H H 56 7.367 7.367 7.403 -0.036 25573 1380 1 3 . 1 1 57 57 LEU N N 57 122.564 122.564 124.193 -1.629 25573 1381 1 3 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.978 0.454 25573 1382 1 3 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.011 -2.602 25573 1383 1 3 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.921 -4.060 25573 1384 1 3 . 1 1 57 57 LEU H H 57 9.222 9.222 8.873 0.349 25573 1385 1 3 . 1 1 58 58 ASP N N 58 119.366 119.366 118.338 1.028 25573 1386 1 3 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.372 0.908 25573 1387 1 3 . 1 1 58 58 ASP CB C 58 37.357 37.357 39.853 -2.496 25573 1388 1 3 . 1 1 58 58 ASP H H 58 8.570 8.570 8.524 0.046 25573 1389 1 3 . 1 1 59 59 GLN N N 59 118.241 118.241 119.168 -0.927 25573 1390 1 3 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.069 -0.037 25573 1391 1 3 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.706 -2.789 25573 1392 1 3 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.855 -2.781 25573 1393 1 3 . 1 1 59 59 GLN H H 59 7.823 7.823 7.711 0.112 25573 1394 1 3 . 1 1 60 60 LEU N N 60 121.691 121.691 120.805 0.886 25573 1395 1 3 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.951 0.128 25573 1396 1 3 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.355 -3.084 25573 1397 1 3 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.857 5.780 25573 1398 1 3 . 1 1 60 60 LEU H H 60 8.187 8.187 7.967 0.220 25573 1399 1 3 . 1 1 61 61 ARG N N 61 117.960 117.960 118.734 -0.774 25573 1400 1 3 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.070 -0.004 25573 1401 1 3 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.644 -3.462 25573 1402 1 3 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.189 -1.273 25573 1403 1 3 . 1 1 61 61 ARG H H 61 9.133 9.133 7.796 1.337 25573 1404 1 3 . 1 1 62 62 LEU N N 62 118.408 118.408 120.071 -1.663 25573 1405 1 3 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.155 -0.129 25573 1406 1 3 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.451 -1.371 25573 1407 1 3 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.549 -3.185 25573 1408 1 3 . 1 1 62 62 LEU H H 62 7.817 7.817 7.799 0.018 25573 1409 1 3 . 1 1 63 63 VAL N N 63 119.177 119.177 120.678 -1.501 25573 1410 1 3 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.634 -0.097 25573 1411 1 3 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.287 -2.786 25573 1412 1 3 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.387 -2.503 25573 1413 1 3 . 1 1 63 63 VAL H H 63 7.368 7.368 7.718 -0.350 25573 1414 1 3 . 1 1 64 64 ILE N N 64 119.068 119.068 120.267 -1.199 25573 1415 1 3 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.649 -0.109 25573 1416 1 3 . 1 1 64 64 ILE CA C 64 64.481 64.481 64.832 -0.351 25573 1417 1 3 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.957 -3.245 25573 1418 1 3 . 1 1 64 64 ILE H H 64 8.320 8.320 7.717 0.603 25573 1419 1 3 . 1 1 65 65 CYS N N 65 119.131 119.131 118.382 0.749 25573 1420 1 3 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.051 0.279 25573 1421 1 3 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.360 -1.452 25573 1422 1 3 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.514 -2.622 25573 1423 1 3 . 1 1 65 65 CYS H H 65 9.076 9.076 7.945 1.131 25573 1424 1 3 . 1 1 66 66 ASP N N 66 120.537 120.537 121.014 -0.477 25573 1425 1 3 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.385 -0.073 25573 1426 1 3 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.125 0.639 25573 1427 1 3 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.683 -2.498 25573 1428 1 3 . 1 1 66 66 ASP H H 66 8.512 8.512 7.812 0.700 25573 1429 1 3 . 1 1 67 67 LEU N N 67 119.364 119.364 121.088 -1.724 25573 1430 1 3 . 1 1 67 67 LEU HA H 67 3.970 3.970 4.028 -0.058 25573 1431 1 3 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.339 -1.353 25573 1432 1 3 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.088 -9.342 25573 1433 1 3 . 1 1 67 67 LEU H H 67 8.971 8.971 8.351 0.620 25573 1434 1 3 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.056 0.373 25573 1435 1 3 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.537 -3.772 25573 1436 1 3 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.461 0.340 25573 1437 1 3 . 1 1 70 70 ARG N N 70 122.186 122.186 119.416 2.770 25573 1438 1 3 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.069 0.417 25573 1439 1 3 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.286 -6.753 25573 1440 1 3 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.123 0.218 25573 1441 1 3 . 1 1 70 70 ARG H H 70 8.345 8.345 7.788 0.557 25573 1442 1 3 . 1 1 71 71 ARG N N 71 121.616 121.616 117.867 3.749 25573 1443 1 3 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.121 -1.497 25573 1444 1 3 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.578 -4.399 25573 1445 1 3 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.628 0.379 25573 1446 1 3 . 1 1 71 71 ARG H H 71 8.480 8.480 8.721 -0.241 25573 1447 1 3 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.052 0.020 25573 1448 1 3 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.772 -2.796 25573 1449 1 3 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.328 -1.576 25573 1450 1 3 . 1 1 74 74 PHE N N 74 115.001 115.001 118.292 -3.291 25573 1451 1 3 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.327 0.495 25573 1452 1 3 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.519 -3.398 25573 1453 1 3 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.676 -3.089 25573 1454 1 3 . 1 1 74 74 PHE H H 74 8.530 8.530 7.772 0.758 25573 1455 1 3 . 1 1 75 75 GLY N N 75 110.366 110.366 106.309 4.057 25573 1456 1 3 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.209 -2.205 25573 1457 1 3 . 1 1 75 75 GLY H H 75 7.799 7.799 7.574 0.225 25573 1458 1 3 . 1 1 76 76 SER N N 76 113.283 113.283 114.918 -1.635 25573 1459 1 3 . 1 1 76 76 SER HA H 76 4.523 4.523 4.837 -0.314 25573 1460 1 3 . 1 1 76 76 SER CA C 76 54.361 54.361 57.839 -3.478 25573 1461 1 3 . 1 1 76 76 SER CB C 76 61.887 61.887 63.844 -1.957 25573 1462 1 3 . 1 1 76 76 SER H H 76 8.417 8.417 8.288 0.129 25573 1463 1 3 . 1 1 77 77 SER N N 77 114.950 114.950 118.851 -3.901 25573 1464 1 3 . 1 1 77 77 SER HA H 77 4.535 4.535 4.663 -0.128 25573 1465 1 3 . 1 1 77 77 SER CA C 77 53.833 53.833 57.316 -3.483 25573 1466 1 3 . 1 1 77 77 SER CB C 77 63.488 63.488 65.248 -1.760 25573 1467 1 3 . 1 1 77 77 SER H H 77 8.428 8.428 8.076 0.352 25573 1468 1 3 . 1 1 78 78 LYS N N 78 122.032 122.032 123.306 -1.274 25573 1469 1 3 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.989 0.686 25573 1470 1 3 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.787 -5.660 25573 1471 1 3 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.415 -3.180 25573 1472 1 3 . 1 1 78 78 LYS H H 78 9.044 9.044 8.927 0.117 25573 1473 1 3 . 1 1 79 79 GLU N N 79 118.232 118.232 118.807 -0.575 25573 1474 1 3 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.308 -0.016 25573 1475 1 3 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.989 -1.885 25573 1476 1 3 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.677 -2.831 25573 1477 1 3 . 1 1 79 79 GLU H H 79 8.795 8.795 7.853 0.942 25573 1478 1 3 . 1 1 80 80 ILE N N 80 120.491 120.491 120.643 -0.152 25573 1479 1 3 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.679 0.050 25573 1480 1 3 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.555 -3.089 25573 1481 1 3 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.979 -1.870 25573 1482 1 3 . 1 1 80 80 ILE H H 80 7.892 7.892 7.722 0.170 25573 1483 1 3 . 1 1 81 81 ASP N N 81 120.491 120.491 119.789 0.702 25573 1484 1 3 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.334 -0.028 25573 1485 1 3 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.392 -2.018 25573 1486 1 3 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.846 -3.470 25573 1487 1 3 . 1 1 81 81 ASP H H 81 8.424 8.424 8.318 0.106 25573 1488 1 3 . 1 1 82 82 MET N N 82 118.588 118.588 118.655 -0.067 25573 1489 1 3 . 1 1 82 82 MET HA H 82 4.610 4.610 4.058 0.552 25573 1490 1 3 . 1 1 82 82 MET CA C 82 54.472 54.472 59.471 -4.999 25573 1491 1 3 . 1 1 82 82 MET CB C 82 29.557 29.557 32.650 -3.093 25573 1492 1 3 . 1 1 82 82 MET H H 82 8.215 8.215 7.965 0.250 25573 1493 1 3 . 1 1 83 83 ALA N N 83 127.525 127.525 122.776 4.749 25573 1494 1 3 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.151 -0.052 25573 1495 1 3 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.046 -1.138 25573 1496 1 3 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.229 -3.419 25573 1497 1 3 . 1 1 83 83 ALA H H 83 10.165 10.165 7.894 2.271 25573 1498 1 3 . 1 1 84 84 ILE N N 84 115.968 115.968 118.527 -2.559 25573 1499 1 3 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.609 -0.075 25573 1500 1 3 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.544 -1.167 25573 1501 1 3 . 1 1 84 84 ILE CB C 84 35.417 35.417 38.062 -2.644 25573 1502 1 3 . 1 1 84 84 ILE H H 84 8.437 8.437 7.711 0.726 25573 1503 1 3 . 1 1 85 85 VAL N N 85 117.106 117.106 120.020 -2.914 25573 1504 1 3 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.526 0.519 25573 1505 1 3 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.273 -11.348 25573 1506 1 3 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.592 -2.407 25573 1507 1 3 . 1 1 85 85 VAL H H 85 7.835 7.835 8.263 -0.428 25573 1508 1 3 . 1 1 86 86 THR N N 86 116.673 116.673 114.904 1.769 25573 1509 1 3 . 1 1 86 86 THR HA H 86 4.181 4.181 4.048 0.133 25573 1510 1 3 . 1 1 86 86 THR CA C 86 59.627 59.627 66.601 -6.974 25573 1511 1 3 . 1 1 86 86 THR CB C 86 65.856 65.856 68.799 -2.943 25573 1512 1 3 . 1 1 86 86 THR H H 86 8.254 8.254 8.511 -0.257 25573 1513 1 3 . 1 1 87 87 LEU N N 87 121.447 121.447 121.621 -0.174 25573 1514 1 3 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.105 0.477 25573 1515 1 3 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.884 -1.028 25573 1516 1 3 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.609 -9.784 25573 1517 1 3 . 1 1 87 87 LEU H H 87 7.913 7.913 7.859 0.054 25573 1518 1 3 . 1 1 88 88 LYS N N 88 119.505 119.505 119.937 -0.432 25573 1519 1 3 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.989 0.152 25573 1520 1 3 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.663 -3.592 25573 1521 1 3 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.459 -2.572 25573 1522 1 3 . 1 1 88 88 LYS H H 88 7.970 7.970 7.664 0.306 25573 1523 1 3 . 1 1 89 89 VAL N N 89 119.366 119.366 117.436 1.930 25573 1524 1 3 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.726 0.094 25573 1525 1 3 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.422 -9.466 25573 1526 1 3 . 1 1 89 89 VAL H H 89 8.082 8.082 8.289 -0.207 25573 1527 1 3 . 1 1 90 90 PHE N N 90 119.366 119.366 121.296 -1.930 25573 1528 1 3 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.176 0.248 25573 1529 1 3 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.720 -3.569 25573 1530 1 3 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.295 -2.666 25573 1531 1 3 . 1 1 90 90 PHE H H 90 8.104 8.104 8.734 -0.630 25573 1532 1 3 . 1 1 91 91 ALA N N 91 118.916 118.916 122.013 -3.097 25573 1533 1 3 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.734 0.782 25573 1534 1 3 . 1 1 91 91 ALA CA C 91 54.412 54.412 55.026 -0.614 25573 1535 1 3 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.305 -2.414 25573 1536 1 3 . 1 1 91 91 ALA H H 91 8.187 8.187 7.504 0.683 25573 1537 1 3 . 1 1 92 92 VAL N N 92 113.741 113.741 118.157 -4.416 25573 1538 1 3 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.657 -0.070 25573 1539 1 3 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.516 -2.937 25573 1540 1 3 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.532 -0.740 25573 1541 1 3 . 1 1 92 92 VAL H H 92 8.196 8.196 8.022 0.174 25573 1542 1 3 . 1 1 93 93 ALA N N 93 119.366 119.366 120.805 -1.439 25573 1543 1 3 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.284 0.410 25573 1544 1 3 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.596 -4.315 25573 1545 1 3 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.346 -1.631 25573 1546 1 3 . 1 1 93 93 ALA H H 93 8.564 8.564 8.227 0.337 25573 1547 1 3 . 1 1 94 94 GLY N N 94 104.958 104.958 106.403 -1.445 25573 1548 1 3 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.615 -1.691 25573 1549 1 3 . 1 1 94 94 GLY H H 94 6.940 6.940 7.532 -0.592 25573 1550 1 3 . 1 1 95 95 LEU N N 95 120.679 120.679 121.243 -0.564 25573 1551 1 3 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.993 0.012 25573 1552 1 3 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.216 -2.812 25573 1553 1 3 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.742 -3.517 25573 1554 1 3 . 1 1 95 95 LEU H H 95 7.724 7.724 7.533 0.191 25573 1555 1 3 . 1 1 96 96 LEU N N 96 115.261 115.261 116.914 -1.653 25573 1556 1 3 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.329 -0.054 25573 1557 1 3 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.729 -2.459 25573 1558 1 3 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.227 -2.541 25573 1559 1 3 . 1 1 96 96 LEU H H 96 7.723 7.723 7.696 0.027 25573 1560 1 3 . 1 1 97 97 ASN N N 97 112.672 112.672 113.577 -0.905 25573 1561 1 3 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.427 -0.186 25573 1562 1 3 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.331 -3.131 25573 1563 1 3 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.483 -2.038 25573 1564 1 3 . 1 1 97 97 ASN H H 97 6.694 6.694 7.392 -0.698 25573 1565 1 3 . 1 1 98 98 MET N N 98 115.968 115.968 117.658 -1.690 25573 1566 1 3 . 1 1 98 98 MET HA H 98 4.614 4.614 4.425 0.189 25573 1567 1 3 . 1 1 98 98 MET CA C 98 51.685 51.685 56.333 -4.648 25573 1568 1 3 . 1 1 98 98 MET CB C 98 29.808 29.808 33.449 -3.641 25573 1569 1 3 . 1 1 98 98 MET H H 98 8.168 8.168 7.737 0.431 25573 1570 1 3 . 1 1 99 99 THR N N 99 118.683 118.683 113.930 4.753 25573 1571 1 3 . 1 1 99 99 THR HA H 99 4.184 4.184 4.447 -0.263 25573 1572 1 3 . 1 1 99 99 THR CA C 99 59.813 59.813 60.647 -0.834 25573 1573 1 3 . 1 1 99 99 THR CB C 99 65.438 65.438 67.505 -2.067 25573 1574 1 3 . 1 1 99 99 THR H H 99 8.562 8.562 8.479 0.083 25573 1575 1 3 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.206 -0.087 25573 1576 1 3 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.985 -5.283 25573 1577 1 3 . 1 1 100 100 VAL H H 100 8.392 8.392 7.828 0.564 25573 1578 1 3 . 1 1 101 101 SER N N 101 121.736 121.736 120.274 1.462 25573 1579 1 3 . 1 1 101 101 SER HA H 101 4.645 4.645 4.907 -0.262 25573 1580 1 3 . 1 1 101 101 SER CA C 101 56.852 56.852 58.462 -1.610 25573 1581 1 3 . 1 1 101 101 SER CB C 101 61.739 61.739 63.914 -2.175 25573 1582 1 3 . 1 1 101 101 SER H H 101 8.079 8.079 8.725 -0.646 25573 1583 1 3 . 1 1 102 102 THR N N 102 110.147 110.147 110.449 -0.302 25573 1584 1 3 . 1 1 102 102 THR HA H 102 5.450 5.450 4.847 0.603 25573 1585 1 3 . 1 1 102 102 THR CA C 102 56.522 56.522 60.592 -4.070 25573 1586 1 3 . 1 1 102 102 THR CB C 102 71.007 71.007 71.230 -0.223 25573 1587 1 3 . 1 1 102 102 THR H H 102 7.276 7.276 7.272 0.004 25573 1588 1 3 . 1 1 103 103 ALA N N 103 124.013 124.013 128.443 -4.430 25573 1589 1 3 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.019 -0.065 25573 1590 1 3 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.593 -3.315 25573 1591 1 3 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.701 -3.017 25573 1592 1 3 . 1 1 103 103 ALA H H 103 8.433 8.433 8.744 -0.311 25573 1593 1 3 . 1 1 104 104 ALA N N 104 119.649 119.649 120.901 -1.252 25573 1594 1 3 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.332 -0.046 25573 1595 1 3 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.393 -2.091 25573 1596 1 3 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.259 -1.739 25573 1597 1 3 . 1 1 104 104 ALA H H 104 8.474 8.474 8.074 0.400 25573 1598 1 3 . 1 1 105 105 ALA N N 105 120.587 120.587 120.716 -0.129 25573 1599 1 3 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.047 0.217 25573 1600 1 3 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.780 -2.582 25573 1601 1 3 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.314 -2.569 25573 1602 1 3 . 1 1 105 105 ALA H H 105 8.050 8.050 7.772 0.278 25573 1603 1 3 . 1 1 106 106 ALA N N 106 121.752 121.752 121.727 0.025 25573 1604 1 3 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.978 -0.711 25573 1605 1 3 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.331 -3.820 25573 1606 1 3 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.614 -2.566 25573 1607 1 3 . 1 1 106 106 ALA H H 106 8.071 8.071 7.898 0.173 25573 1608 1 3 . 1 1 107 107 GLU N N 107 119.133 119.133 118.354 0.779 25573 1609 1 3 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.885 -0.026 25573 1610 1 3 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.194 -1.859 25573 1611 1 3 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.046 -1.937 25573 1612 1 3 . 1 1 107 107 GLU H H 107 8.711 8.711 7.989 0.722 25573 1613 1 3 . 1 1 108 108 ASN N N 108 118.306 118.306 119.415 -1.109 25573 1614 1 3 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.522 0.079 25573 1615 1 3 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.093 -2.122 25573 1616 1 3 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.759 -3.307 25573 1617 1 3 . 1 1 108 108 ASN H H 108 8.045 8.045 7.788 0.257 25573 1618 1 3 . 1 1 109 109 MET N N 109 120.038 120.038 119.124 0.914 25573 1619 1 3 . 1 1 109 109 MET HA H 109 4.305 4.305 4.222 0.083 25573 1620 1 3 . 1 1 109 109 MET CA C 109 55.602 55.602 58.655 -3.053 25573 1621 1 3 . 1 1 109 109 MET CB C 109 29.771 29.771 32.380 -2.609 25573 1622 1 3 . 1 1 109 109 MET H H 109 8.401 8.401 8.043 0.358 25573 1623 1 3 . 1 1 110 110 TYR N N 110 121.616 121.616 121.430 0.186 25573 1624 1 3 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.124 -0.461 25573 1625 1 3 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.174 -3.249 25573 1626 1 3 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.587 -2.661 25573 1627 1 3 . 1 1 110 110 TYR H H 110 8.651 8.651 8.712 -0.061 25573 1628 1 3 . 1 1 111 111 SER N N 111 110.621 110.621 113.662 -3.041 25573 1629 1 3 . 1 1 111 111 SER HA H 111 4.540 4.540 4.366 0.174 25573 1630 1 3 . 1 1 111 111 SER CA C 111 58.395 58.395 61.018 -2.623 25573 1631 1 3 . 1 1 111 111 SER CB C 111 60.600 60.600 63.416 -2.816 25573 1632 1 3 . 1 1 111 111 SER H H 111 7.394 7.394 7.981 -0.587 25573 1633 1 3 . 1 1 112 112 GLN N N 112 125.643 125.643 122.402 3.241 25573 1634 1 3 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.061 -0.002 25573 1635 1 3 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.690 -2.607 25573 1636 1 3 . 1 1 112 112 GLN CB C 112 25.645 25.645 29.023 -3.378 25573 1637 1 3 . 1 1 112 112 GLN H H 112 8.774 8.774 8.401 0.373 25573 1638 1 3 . 1 1 113 113 MET N N 113 114.866 114.866 116.065 -1.199 25573 1639 1 3 . 1 1 113 113 MET HA H 113 4.275 4.275 4.577 -0.302 25573 1640 1 3 . 1 1 113 113 MET CA C 113 53.246 53.246 53.874 -0.628 25573 1641 1 3 . 1 1 113 113 MET CB C 113 31.365 31.365 32.981 -1.616 25573 1642 1 3 . 1 1 113 113 MET H H 113 8.070 8.070 7.777 0.293 25573 1643 1 3 . 1 1 114 114 GLY N N 114 107.252 107.252 108.419 -1.167 25573 1644 1 3 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.872 -2.912 25573 1645 1 3 . 1 1 114 114 GLY H H 114 8.012 8.012 7.651 0.361 25573 1646 1 3 . 1 1 115 115 LEU N N 115 114.939 114.939 117.693 -2.754 25573 1647 1 3 . 1 1 115 115 LEU HA H 115 3.875 3.875 3.650 0.225 25573 1648 1 3 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.301 -2.092 25573 1649 1 3 . 1 1 115 115 LEU CB C 115 35.458 35.458 40.545 -5.087 25573 1650 1 3 . 1 1 115 115 LEU H H 115 7.447 7.447 7.762 -0.315 25573 1651 1 3 . 1 1 116 116 ASP N N 116 116.423 116.423 116.923 -0.500 25573 1652 1 3 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.404 0.266 25573 1653 1 3 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.758 -2.455 25573 1654 1 3 . 1 1 116 116 ASP CB C 116 37.319 37.319 41.097 -3.778 25573 1655 1 3 . 1 1 116 116 ASP H H 116 8.518 8.518 7.921 0.597 25573 1656 1 3 . 1 1 117 117 THR N N 117 113.582 113.582 113.935 -0.353 25573 1657 1 3 . 1 1 117 117 THR HA H 117 4.194 4.194 4.149 0.045 25573 1658 1 3 . 1 1 117 117 THR CA C 117 58.925 58.925 61.652 -2.727 25573 1659 1 3 . 1 1 117 117 THR CB C 117 67.320 67.320 69.535 -2.215 25573 1660 1 3 . 1 1 117 117 THR H H 117 7.240 7.240 8.152 -0.912 25573 1661 1 3 . 1 1 118 118 ARG N N 118 126.068 126.068 121.919 4.149 25573 1662 1 3 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.268 0.298 25573 1663 1 3 . 1 1 118 118 ARG CA C 118 52.343 52.343 55.637 -3.294 25573 1664 1 3 . 1 1 118 118 ARG CB C 118 33.708 33.708 29.713 3.995 25573 1665 1 3 . 1 1 118 118 ARG H H 118 8.711 8.711 8.451 0.260 25573 1666 1 3 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.449 -2.371 25573 1667 1 3 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.618 -2.575 25573 1668 1 3 . 1 1 120 120 SER N N 120 116.251 116.251 116.037 0.214 25573 1669 1 3 . 1 1 120 120 SER HA H 120 4.385 4.385 4.414 -0.029 25573 1670 1 3 . 1 1 120 120 SER CA C 120 55.352 55.352 59.225 -3.873 25573 1671 1 3 . 1 1 120 120 SER CB C 120 61.037 61.037 63.691 -2.654 25573 1672 1 3 . 1 1 120 120 SER H H 120 8.385 8.385 8.199 0.186 25573 1673 1 3 . 1 1 121 121 MET N N 121 123.171 123.171 121.938 1.233 25573 1674 1 3 . 1 1 121 121 MET HA H 121 4.289 4.289 4.783 -0.494 25573 1675 1 3 . 1 1 121 121 MET CA C 121 53.282 53.282 55.296 -2.014 25573 1676 1 3 . 1 1 121 121 MET CB C 121 30.755 30.755 34.233 -3.478 25573 1677 1 3 . 1 1 121 121 MET H H 121 8.297 8.297 8.239 0.058 25573 1678 1 3 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.326 -0.068 25573 1679 1 3 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.831 -4.162 25573 1680 1 3 . 1 1 123 123 GLU N N 123 122.135 122.135 118.134 4.001 25573 1681 1 3 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.036 -8.133 25573 1682 1 3 . 1 1 123 123 GLU CB C 123 30.404 30.404 31.259 -0.855 25573 1683 1 3 . 1 1 123 123 GLU H H 123 8.505 8.505 8.149 0.356 25573 1684 1 3 . 1 1 124 124 ALA N N 124 125.340 125.340 122.302 3.038 25573 1685 1 3 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.759 -0.428 25573 1686 1 3 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.289 -1.456 25573 1687 1 3 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.304 -3.639 25573 1688 1 3 . 1 1 124 124 ALA H H 124 8.422 8.422 7.859 0.563 25573 1689 1 3 . 1 1 125 125 GLY N N 125 108.426 108.426 107.510 0.916 25573 1690 1 3 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.811 -3.070 25573 1691 1 3 . 1 1 125 125 GLY H H 125 8.401 8.401 8.279 0.122 25573 1692 1 3 . 1 1 126 126 GLY N N 126 109.792 109.792 110.470 -0.678 25573 1693 1 3 . 1 1 126 126 GLY CA C 126 42.247 42.247 45.432 -3.185 25573 1694 1 3 . 1 1 126 126 GLY H H 126 8.515 8.515 8.287 0.228 25573 1695 1 3 . 1 1 127 127 LYS N N 127 120.366 120.366 123.395 -3.029 25573 1696 1 3 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.507 -0.186 25573 1697 1 3 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.929 -2.385 25573 1698 1 3 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.831 -3.479 25573 1699 1 3 . 1 1 127 127 LYS H H 127 8.244 8.244 8.354 -0.110 25573 1700 1 3 . 1 1 128 128 GLU N N 128 122.270 122.270 123.871 -1.601 25573 1701 1 3 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.063 -0.019 25573 1702 1 3 . 1 1 128 128 GLU H H 128 8.559 8.559 8.640 -0.081 25573 1703 1 3 . 1 1 129 129 GLU N N 129 122.282 122.282 121.239 1.043 25573 1704 1 3 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.893 -0.357 25573 1705 1 3 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.310 -0.121 25573 1706 1 3 . 1 1 129 129 GLU H H 129 8.027 8.027 8.324 -0.297 25573 1707 1 3 . 1 1 130 130 GLY N N 130 110.258 110.258 109.105 1.153 25573 1708 1 3 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.628 -2.967 25573 1709 1 3 . 1 1 130 130 GLY H H 130 10.190 10.190 8.174 2.016 25573 1710 1 3 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.332 0.047 25573 1711 1 3 . 1 1 132 132 PRO CA C 132 60.469 60.469 64.052 -3.583 25573 1712 1 3 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.165 -2.934 25573 1713 1 3 . 1 1 133 133 GLN N N 133 119.932 119.932 118.663 1.269 25573 1714 1 3 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.095 0.224 25573 1715 1 3 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.852 -2.603 25573 1716 1 3 . 1 1 133 133 GLN CB C 133 29.655 29.655 28.449 1.206 25573 1717 1 3 . 1 1 133 133 GLN H H 133 8.478 8.478 8.534 -0.056 25573 1718 1 3 . 1 1 134 134 ALA N N 134 124.828 124.828 125.007 -0.179 25573 1719 1 3 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.523 -0.274 25573 1720 1 3 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.212 -2.520 25573 1721 1 3 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.934 -3.910 25573 1722 1 3 . 1 1 134 134 ALA H H 134 8.263 8.263 8.090 0.173 25573 1723 1 4 . 1 1 3 3 ASN N N 3 119.366 119.366 122.641 -3.275 25573 1724 1 4 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.790 -0.207 25573 1725 1 4 . 1 1 3 3 ASN CA C 3 51.391 51.391 52.456 -1.065 25573 1726 1 4 . 1 1 3 3 ASN CB C 3 35.712 35.712 36.963 -1.251 25573 1727 1 4 . 1 1 3 3 ASN H H 3 8.596 8.596 8.319 0.278 25573 1728 1 4 . 1 1 4 4 GLY N N 4 112.829 112.829 109.782 3.047 25573 1729 1 4 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.748 -2.046 25573 1730 1 4 . 1 1 4 4 GLY H H 4 8.073 8.073 7.744 0.329 25573 1731 1 4 . 1 1 5 5 ALA N N 5 123.630 123.630 121.418 2.212 25573 1732 1 4 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.100 0.303 25573 1733 1 4 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.547 -2.907 25573 1734 1 4 . 1 1 5 5 ALA CB C 5 16.414 16.414 17.966 -1.552 25573 1735 1 4 . 1 1 5 5 ALA H H 5 8.008 8.008 8.318 -0.310 25573 1736 1 4 . 1 1 6 6 SER N N 6 114.866 114.866 113.292 1.574 25573 1737 1 4 . 1 1 6 6 SER HA H 6 4.270 4.270 4.439 -0.169 25573 1738 1 4 . 1 1 6 6 SER CA C 6 56.023 56.023 58.930 -2.907 25573 1739 1 4 . 1 1 6 6 SER CB C 6 60.936 60.936 63.852 -2.917 25573 1740 1 4 . 1 1 6 6 SER H H 6 8.293 8.293 8.352 -0.059 25573 1741 1 4 . 1 1 7 7 ARG N N 7 119.250 119.250 122.130 -2.880 25573 1742 1 4 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.628 -0.122 25573 1743 1 4 . 1 1 7 7 ARG CB C 7 30.422 30.422 29.953 0.469 25573 1744 1 4 . 1 1 7 7 ARG H H 7 8.305 8.305 8.735 -0.430 25573 1745 1 4 . 1 1 8 8 ASP N N 8 119.662 119.662 118.179 1.483 25573 1746 1 4 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.416 -0.263 25573 1747 1 4 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.127 -1.573 25573 1748 1 4 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.218 -13.717 25573 1749 1 4 . 1 1 8 8 ASP H H 8 7.915 7.915 8.712 -0.797 25573 1750 1 4 . 1 1 9 9 TRP N N 9 121.861 121.861 121.039 0.822 25573 1751 1 4 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.440 -0.324 25573 1752 1 4 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.349 -4.387 25573 1753 1 4 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.803 -1.781 25573 1754 1 4 . 1 1 9 9 TRP H H 9 8.222 8.222 7.377 0.845 25573 1755 1 4 . 1 1 10 10 LYS N N 10 118.681 118.681 118.814 -0.133 25573 1756 1 4 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.873 0.409 25573 1757 1 4 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.473 -0.574 25573 1758 1 4 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.371 -4.332 25573 1759 1 4 . 1 1 10 10 LYS H H 10 8.003 8.003 8.155 -0.152 25573 1760 1 4 . 1 1 11 11 MET N N 11 119.366 119.366 119.281 0.085 25573 1761 1 4 . 1 1 11 11 MET HA H 11 4.559 4.559 4.152 0.407 25573 1762 1 4 . 1 1 11 11 MET CA C 11 53.485 53.485 58.204 -4.719 25573 1763 1 4 . 1 1 11 11 MET H H 11 8.041 8.041 8.236 -0.195 25573 1764 1 4 . 1 1 12 12 ALA N N 12 122.650 122.650 122.619 0.031 25573 1765 1 4 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.048 0.161 25573 1766 1 4 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.999 4.800 25573 1767 1 4 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.416 -0.644 25573 1768 1 4 . 1 1 12 12 ALA H H 12 7.904 7.904 7.984 -0.080 25573 1769 1 4 . 1 1 13 13 ILE N N 13 117.322 117.322 117.231 0.091 25573 1770 1 4 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.233 1.345 25573 1771 1 4 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.150 -7.247 25573 1772 1 4 . 1 1 13 13 ILE H H 13 8.380 8.380 8.167 0.213 25573 1773 1 4 . 1 1 15 15 ARG CA C 15 59.916 59.916 57.931 1.985 25573 1774 1 4 . 1 1 16 16 CYS N N 16 116.263 116.263 119.445 -3.182 25573 1775 1 4 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.230 -0.185 25573 1776 1 4 . 1 1 16 16 CYS CA C 16 59.784 59.784 63.242 -3.458 25573 1777 1 4 . 1 1 16 16 CYS CB C 16 28.810 28.810 27.165 1.645 25573 1778 1 4 . 1 1 16 16 CYS H H 16 7.799 7.799 8.236 -0.437 25573 1779 1 4 . 1 1 17 17 SER N N 17 114.606 114.606 115.244 -0.638 25573 1780 1 4 . 1 1 17 17 SER HA H 17 4.952 4.952 4.082 0.870 25573 1781 1 4 . 1 1 17 17 SER CA C 17 58.171 58.171 61.964 -3.793 25573 1782 1 4 . 1 1 17 17 SER CB C 17 60.740 60.740 62.889 -2.149 25573 1783 1 4 . 1 1 17 17 SER H H 17 7.830 7.830 7.714 0.116 25573 1784 1 4 . 1 1 18 18 ASN N N 18 116.143 116.143 117.439 -1.296 25573 1785 1 4 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.878 0.130 25573 1786 1 4 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.294 -1.819 25573 1787 1 4 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.556 -1.267 25573 1788 1 4 . 1 1 18 18 ASN H H 18 7.557 7.557 7.557 0.000 25573 1789 1 4 . 1 1 19 19 VAL N N 19 121.616 121.616 119.735 1.881 25573 1790 1 4 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.390 -0.891 25573 1791 1 4 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.284 -0.554 25573 1792 1 4 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.266 -5.224 25573 1793 1 4 . 1 1 19 19 VAL H H 19 7.919 7.919 7.680 0.239 25573 1794 1 4 . 1 1 20 20 ALA N N 20 129.139 129.139 128.399 0.740 25573 1795 1 4 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.596 0.199 25573 1796 1 4 . 1 1 20 20 ALA C C 20 169.500 169.500 177.368 -7.868 25573 1797 1 4 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.791 -1.376 25573 1798 1 4 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.774 -4.058 25573 1799 1 4 . 1 1 20 20 ALA H H 20 8.150 8.150 7.572 0.578 25573 1800 1 4 . 1 1 21 21 VAL N N 21 120.390 120.390 117.699 2.691 25573 1801 1 4 . 1 1 21 21 VAL HA H 21 3.767 3.767 4.470 -0.703 25573 1802 1 4 . 1 1 21 21 VAL CA C 21 63.578 63.578 63.138 0.440 25573 1803 1 4 . 1 1 21 21 VAL CB C 21 29.746 29.746 32.180 -2.434 25573 1804 1 4 . 1 1 21 21 VAL H H 21 8.319 8.319 8.399 -0.080 25573 1805 1 4 . 1 1 22 22 GLY N N 22 108.884 108.884 107.118 1.766 25573 1806 1 4 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.275 -2.307 25573 1807 1 4 . 1 1 22 22 GLY H H 22 8.221 8.221 7.591 0.630 25573 1808 1 4 . 1 1 23 23 VAL N N 23 117.439 117.439 118.025 -0.586 25573 1809 1 4 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.186 0.052 25573 1810 1 4 . 1 1 23 23 VAL CA C 23 59.088 59.088 62.987 -3.899 25573 1811 1 4 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.449 -2.015 25573 1812 1 4 . 1 1 23 23 VAL H H 23 8.003 8.003 8.332 -0.329 25573 1813 1 4 . 1 1 24 24 GLY N N 24 112.616 112.616 110.477 2.139 25573 1814 1 4 . 1 1 24 24 GLY CA C 24 42.779 42.779 45.377 -2.598 25573 1815 1 4 . 1 1 24 24 GLY H H 24 8.716 8.716 8.029 0.687 25573 1816 1 4 . 1 1 25 25 GLY N N 25 108.753 108.753 109.702 -0.949 25573 1817 1 4 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.429 -3.429 25573 1818 1 4 . 1 1 25 25 GLY H H 25 8.286 8.286 7.654 0.632 25573 1819 1 4 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.522 -0.146 25573 1820 1 4 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.185 -2.673 25573 1821 1 4 . 1 1 27 27 SER HA H 27 4.922 4.922 4.382 0.540 25573 1822 1 4 . 1 1 27 27 SER CA C 27 56.876 56.876 58.967 -2.091 25573 1823 1 4 . 1 1 27 27 SER CB C 27 64.578 64.578 63.680 0.898 25573 1824 1 4 . 1 1 27 27 SER H H 27 7.831 7.831 8.023 -0.192 25573 1825 1 4 . 1 1 28 28 LYS N N 28 122.919 122.919 121.441 1.478 25573 1826 1 4 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.476 -0.291 25573 1827 1 4 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.501 1.038 25573 1828 1 4 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.480 -1.114 25573 1829 1 4 . 1 1 28 28 LYS H H 28 8.589 8.589 8.052 0.537 25573 1830 1 4 . 1 1 29 29 LYS N N 29 120.917 120.917 120.797 0.120 25573 1831 1 4 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.492 -0.109 25573 1832 1 4 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.988 -1.453 25573 1833 1 4 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.340 -2.264 25573 1834 1 4 . 1 1 29 29 LYS H H 29 8.471 8.471 8.144 0.327 25573 1835 1 4 . 1 1 30 30 PHE N N 30 119.366 119.366 117.982 1.384 25573 1836 1 4 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.759 -0.901 25573 1837 1 4 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.146 1.026 25573 1838 1 4 . 1 1 30 30 PHE CB C 30 38.242 38.242 42.166 -3.924 25573 1839 1 4 . 1 1 30 30 PHE H H 30 8.000 8.000 8.293 -0.293 25573 1840 1 4 . 1 1 31 31 GLY N N 31 106.991 106.991 107.298 -0.307 25573 1841 1 4 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.831 -3.894 25573 1842 1 4 . 1 1 31 31 GLY H H 31 8.404 8.404 8.365 0.039 25573 1843 1 4 . 1 1 32 32 GLU N N 32 120.491 120.491 120.807 -0.316 25573 1844 1 4 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.696 0.416 25573 1845 1 4 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.030 -0.859 25573 1846 1 4 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.550 -2.244 25573 1847 1 4 . 1 1 32 32 GLU H H 32 9.168 9.168 8.744 0.424 25573 1848 1 4 . 1 1 33 33 GLY N N 33 109.241 109.241 107.472 1.769 25573 1849 1 4 . 1 1 33 33 GLY CA C 33 43.591 43.591 47.088 -3.497 25573 1850 1 4 . 1 1 33 33 GLY H H 33 8.613 8.613 8.477 0.136 25573 1851 1 4 . 1 1 34 34 ASN N N 34 118.241 118.241 120.643 -2.402 25573 1852 1 4 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.631 -0.593 25573 1853 1 4 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.312 -1.849 25573 1854 1 4 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.708 -2.314 25573 1855 1 4 . 1 1 34 34 ASN H H 34 7.897 7.897 7.905 -0.008 25573 1856 1 4 . 1 1 35 35 PHE N N 35 117.116 117.116 120.449 -3.333 25573 1857 1 4 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.155 -0.067 25573 1858 1 4 . 1 1 35 35 PHE CA C 35 59.312 59.312 61.703 -2.391 25573 1859 1 4 . 1 1 35 35 PHE CB C 35 35.828 35.828 38.553 -2.725 25573 1860 1 4 . 1 1 35 35 PHE H H 35 7.180 7.180 8.299 -1.119 25573 1861 1 4 . 1 1 36 36 ARG N N 36 117.825 117.825 118.856 -1.031 25573 1862 1 4 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.062 -0.490 25573 1863 1 4 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.476 -1.234 25573 1864 1 4 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.546 4.451 25573 1865 1 4 . 1 1 36 36 ARG H H 36 8.278 8.278 8.150 0.128 25573 1866 1 4 . 1 1 37 37 TRP N N 37 118.845 118.845 122.776 -3.931 25573 1867 1 4 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.270 -0.136 25573 1868 1 4 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.251 -2.351 25573 1869 1 4 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.495 -2.046 25573 1870 1 4 . 1 1 37 37 TRP H H 37 8.106 8.106 8.166 -0.060 25573 1871 1 4 . 1 1 38 38 ALA N N 38 119.609 119.609 122.445 -2.836 25573 1872 1 4 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.749 0.680 25573 1873 1 4 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.617 -1.723 25573 1874 1 4 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.677 -2.278 25573 1875 1 4 . 1 1 38 38 ALA H H 38 8.332 8.332 7.935 0.397 25573 1876 1 4 . 1 1 39 39 ILE N N 39 114.866 114.866 119.633 -4.767 25573 1877 1 4 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.558 0.806 25573 1878 1 4 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.191 -10.607 25573 1879 1 4 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.716 -6.224 25573 1880 1 4 . 1 1 39 39 ILE H H 39 8.161 8.161 8.588 -0.427 25573 1881 1 4 . 1 1 40 40 ARG N N 40 120.240 120.240 119.305 0.935 25573 1882 1 4 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.882 0.184 25573 1883 1 4 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.647 -3.008 25573 1884 1 4 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.140 -0.331 25573 1885 1 4 . 1 1 40 40 ARG H H 40 8.446 8.446 8.110 0.336 25573 1886 1 4 . 1 1 41 41 MET HA H 41 4.305 4.305 3.922 0.383 25573 1887 1 4 . 1 1 41 41 MET CA C 41 53.585 53.585 58.504 -4.919 25573 1888 1 4 . 1 1 41 41 MET CB C 41 29.902 29.902 31.964 -2.062 25573 1889 1 4 . 1 1 42 42 ALA N N 42 122.782 122.782 122.059 0.723 25573 1890 1 4 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.855 0.693 25573 1891 1 4 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.352 -3.076 25573 1892 1 4 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.160 -1.300 25573 1893 1 4 . 1 1 42 42 ALA H H 42 8.556 8.556 8.377 0.179 25573 1894 1 4 . 1 1 43 43 ASN N N 43 119.366 119.366 117.016 2.350 25573 1895 1 4 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.447 0.247 25573 1896 1 4 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.825 -5.488 25573 1897 1 4 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.072 -2.381 25573 1898 1 4 . 1 1 43 43 ASN H H 43 8.613 8.613 7.894 0.719 25573 1899 1 4 . 1 1 44 44 VAL N N 44 118.466 118.466 119.204 -0.738 25573 1900 1 4 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.928 -0.029 25573 1901 1 4 . 1 1 44 44 VAL CA C 44 63.094 63.094 64.729 -1.635 25573 1902 1 4 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.746 -2.825 25573 1903 1 4 . 1 1 44 44 VAL H H 44 8.464 8.464 7.740 0.724 25573 1904 1 4 . 1 1 45 45 SER N N 45 113.763 113.763 115.990 -2.227 25573 1905 1 4 . 1 1 45 45 SER HA H 45 4.328 4.328 4.133 0.195 25573 1906 1 4 . 1 1 45 45 SER CA C 45 58.553 58.553 61.382 -2.829 25573 1907 1 4 . 1 1 45 45 SER CB C 45 61.343 61.343 63.305 -1.962 25573 1908 1 4 . 1 1 45 45 SER H H 45 7.963 7.963 8.222 -0.259 25573 1909 1 4 . 1 1 46 46 THR N N 46 106.729 106.729 110.256 -3.527 25573 1910 1 4 . 1 1 46 46 THR HA H 46 4.602 4.602 4.283 0.319 25573 1911 1 4 . 1 1 46 46 THR CA C 46 58.026 58.026 63.739 -5.713 25573 1912 1 4 . 1 1 46 46 THR CB C 46 67.285 67.285 69.595 -2.310 25573 1913 1 4 . 1 1 46 46 THR H H 46 7.560 7.560 8.301 -0.741 25573 1914 1 4 . 1 1 47 47 GLY N N 47 109.384 109.384 109.425 -0.041 25573 1915 1 4 . 1 1 47 47 GLY CA C 47 43.809 43.809 44.806 -0.997 25573 1916 1 4 . 1 1 47 47 GLY H H 47 7.539 7.539 7.427 0.112 25573 1917 1 4 . 1 1 48 48 ARG N N 48 120.563 120.563 120.613 -0.050 25573 1918 1 4 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.311 0.042 25573 1919 1 4 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.268 -3.929 25573 1920 1 4 . 1 1 48 48 ARG CB C 48 29.760 29.760 32.278 -2.518 25573 1921 1 4 . 1 1 48 48 ARG H H 48 8.220 8.220 8.117 0.103 25573 1922 1 4 . 1 1 49 49 GLU N N 49 122.874 122.874 121.404 1.470 25573 1923 1 4 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.105 0.217 25573 1924 1 4 . 1 1 49 49 GLU CA C 49 54.134 54.134 57.175 -3.041 25573 1925 1 4 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.609 -0.505 25573 1926 1 4 . 1 1 49 49 GLU H H 49 8.661 8.661 8.520 0.141 25573 1927 1 4 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.475 1.419 25573 1928 1 4 . 1 1 51 51 GLY N N 51 102.859 102.859 108.045 -5.186 25573 1929 1 4 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.899 -3.822 25573 1930 1 4 . 1 1 51 51 GLY H H 51 8.368 8.368 8.325 0.043 25573 1931 1 4 . 1 1 52 52 ASP N N 52 120.491 120.491 119.835 0.656 25573 1932 1 4 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.793 -0.413 25573 1933 1 4 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.160 -1.479 25573 1934 1 4 . 1 1 52 52 ASP CB C 52 37.801 37.801 44.304 -6.503 25573 1935 1 4 . 1 1 52 52 ASP H H 52 7.204 7.204 7.927 -0.723 25573 1936 1 4 . 1 1 53 53 ILE N N 53 127.662 127.662 121.183 6.479 25573 1937 1 4 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.574 -0.044 25573 1938 1 4 . 1 1 53 53 ILE CA C 53 54.127 54.127 57.696 -3.568 25573 1939 1 4 . 1 1 53 53 ILE CB C 53 35.495 35.495 36.758 -1.263 25573 1940 1 4 . 1 1 53 53 ILE H H 53 8.255 8.255 8.202 0.053 25573 1941 1 4 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.630 -0.144 25573 1942 1 4 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.724 -2.605 25573 1943 1 4 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.592 -3.797 25573 1944 1 4 . 1 1 55 55 GLU N N 55 117.116 117.116 119.681 -2.565 25573 1945 1 4 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.385 0.121 25573 1946 1 4 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.054 -1.771 25573 1947 1 4 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.340 0.342 25573 1948 1 4 . 1 1 55 55 GLU H H 55 8.580 8.580 8.543 0.037 25573 1949 1 4 . 1 1 56 56 THR N N 56 105.122 105.122 112.550 -7.428 25573 1950 1 4 . 1 1 56 56 THR HA H 56 4.832 4.832 4.383 0.449 25573 1951 1 4 . 1 1 56 56 THR CA C 56 55.381 55.381 61.129 -5.748 25573 1952 1 4 . 1 1 56 56 THR CB C 56 70.771 70.771 70.147 0.624 25573 1953 1 4 . 1 1 56 56 THR H H 56 7.367 7.367 7.667 -0.300 25573 1954 1 4 . 1 1 57 57 LEU N N 57 122.564 122.564 126.524 -3.960 25573 1955 1 4 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.946 0.486 25573 1956 1 4 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.386 -2.977 25573 1957 1 4 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.167 -3.306 25573 1958 1 4 . 1 1 57 57 LEU H H 57 9.222 9.222 8.992 0.230 25573 1959 1 4 . 1 1 58 58 ASP N N 58 119.366 119.366 118.995 0.371 25573 1960 1 4 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.240 1.040 25573 1961 1 4 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.717 -3.360 25573 1962 1 4 . 1 1 58 58 ASP H H 58 8.570 8.570 8.487 0.083 25573 1963 1 4 . 1 1 59 59 GLN N N 59 118.241 118.241 119.480 -1.239 25573 1964 1 4 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.058 -0.026 25573 1965 1 4 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.412 -2.495 25573 1966 1 4 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.593 -2.519 25573 1967 1 4 . 1 1 59 59 GLN H H 59 7.823 7.823 7.695 0.128 25573 1968 1 4 . 1 1 60 60 LEU N N 60 121.691 121.691 120.669 1.022 25573 1969 1 4 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.977 0.102 25573 1970 1 4 . 1 1 60 60 LEU CA C 60 55.271 55.271 57.699 -2.428 25573 1971 1 4 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.200 6.437 25573 1972 1 4 . 1 1 60 60 LEU H H 60 8.187 8.187 8.602 -0.415 25573 1973 1 4 . 1 1 61 61 ARG N N 61 117.960 117.960 119.008 -1.048 25573 1974 1 4 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.046 0.020 25573 1975 1 4 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.571 -3.389 25573 1976 1 4 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.999 -1.083 25573 1977 1 4 . 1 1 61 61 ARG H H 61 9.133 9.133 7.962 1.171 25573 1978 1 4 . 1 1 62 62 LEU N N 62 118.408 118.408 120.572 -2.164 25573 1979 1 4 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.123 -0.097 25573 1980 1 4 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.651 -1.571 25573 1981 1 4 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.853 -3.489 25573 1982 1 4 . 1 1 62 62 LEU H H 62 7.817 7.817 7.686 0.131 25573 1983 1 4 . 1 1 63 63 VAL N N 63 119.177 119.177 119.480 -0.303 25573 1984 1 4 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.430 0.107 25573 1985 1 4 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.138 -2.638 25573 1986 1 4 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.474 -2.590 25573 1987 1 4 . 1 1 63 63 VAL H H 63 7.368 7.368 7.970 -0.602 25573 1988 1 4 . 1 1 64 64 ILE N N 64 119.068 119.068 119.729 -0.661 25573 1989 1 4 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.619 -0.079 25573 1990 1 4 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.205 -0.724 25573 1991 1 4 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.726 -3.014 25573 1992 1 4 . 1 1 64 64 ILE H H 64 8.320 8.320 7.734 0.586 25573 1993 1 4 . 1 1 65 65 CYS N N 65 119.131 119.131 119.927 -0.796 25573 1994 1 4 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.001 0.329 25573 1995 1 4 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.953 -2.045 25573 1996 1 4 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.442 -2.550 25573 1997 1 4 . 1 1 65 65 CYS H H 65 9.076 9.076 7.861 1.215 25573 1998 1 4 . 1 1 66 66 ASP N N 66 120.537 120.537 120.692 -0.155 25573 1999 1 4 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.363 -0.051 25573 2000 1 4 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.907 -0.143 25573 2001 1 4 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.450 -2.265 25573 2002 1 4 . 1 1 66 66 ASP H H 66 8.512 8.512 8.462 0.050 25573 2003 1 4 . 1 1 67 67 LEU N N 67 119.364 119.364 120.184 -0.820 25573 2004 1 4 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.939 0.031 25573 2005 1 4 . 1 1 67 67 LEU CA C 67 56.986 56.986 57.573 -0.587 25573 2006 1 4 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.978 -9.232 25573 2007 1 4 . 1 1 67 67 LEU H H 67 8.971 8.971 7.842 1.129 25573 2008 1 4 . 1 1 69 69 GLU HA H 69 4.429 4.429 3.971 0.458 25573 2009 1 4 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.772 -4.007 25573 2010 1 4 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.607 0.194 25573 2011 1 4 . 1 1 70 70 ARG N N 70 122.186 122.186 118.156 4.030 25573 2012 1 4 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.184 0.302 25573 2013 1 4 . 1 1 70 70 ARG CA C 70 52.533 52.533 58.660 -6.127 25573 2014 1 4 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.078 0.263 25573 2015 1 4 . 1 1 70 70 ARG H H 70 8.345 8.345 7.854 0.491 25573 2016 1 4 . 1 1 71 71 ARG N N 71 121.616 121.616 120.456 1.160 25573 2017 1 4 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.146 -1.522 25573 2018 1 4 . 1 1 71 71 ARG CA C 71 54.179 54.179 59.040 -4.861 25573 2019 1 4 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.663 0.344 25573 2020 1 4 . 1 1 71 71 ARG H H 71 8.480 8.480 7.999 0.481 25573 2021 1 4 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.084 -0.012 25573 2022 1 4 . 1 1 73 73 LYS CA C 73 55.976 55.976 59.136 -3.160 25573 2023 1 4 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.631 -1.879 25573 2024 1 4 . 1 1 74 74 PHE N N 74 115.001 115.001 117.120 -2.119 25573 2025 1 4 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.478 0.344 25573 2026 1 4 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.554 -3.433 25573 2027 1 4 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.585 -2.998 25573 2028 1 4 . 1 1 74 74 PHE H H 74 8.530 8.530 7.780 0.750 25573 2029 1 4 . 1 1 75 75 GLY N N 75 110.366 110.366 107.588 2.778 25573 2030 1 4 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.486 -2.482 25573 2031 1 4 . 1 1 75 75 GLY H H 75 7.799 7.799 7.506 0.293 25573 2032 1 4 . 1 1 76 76 SER N N 76 113.283 113.283 114.817 -1.534 25573 2033 1 4 . 1 1 76 76 SER HA H 76 4.523 4.523 4.520 0.003 25573 2034 1 4 . 1 1 76 76 SER CA C 76 54.361 54.361 58.770 -4.409 25573 2035 1 4 . 1 1 76 76 SER CB C 76 61.887 61.887 63.596 -1.709 25573 2036 1 4 . 1 1 76 76 SER H H 76 8.417 8.417 8.307 0.110 25573 2037 1 4 . 1 1 77 77 SER N N 77 114.950 114.950 118.335 -3.385 25573 2038 1 4 . 1 1 77 77 SER HA H 77 4.535 4.535 4.744 -0.209 25573 2039 1 4 . 1 1 77 77 SER CA C 77 53.833 53.833 57.250 -3.417 25573 2040 1 4 . 1 1 77 77 SER CB C 77 63.488 63.488 65.652 -2.164 25573 2041 1 4 . 1 1 77 77 SER H H 77 8.428 8.428 8.219 0.209 25573 2042 1 4 . 1 1 78 78 LYS N N 78 122.032 122.032 125.214 -3.182 25573 2043 1 4 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.971 0.704 25573 2044 1 4 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.943 -5.816 25573 2045 1 4 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.413 -3.178 25573 2046 1 4 . 1 1 78 78 LYS H H 78 9.044 9.044 8.964 0.080 25573 2047 1 4 . 1 1 79 79 GLU N N 79 118.232 118.232 120.050 -1.818 25573 2048 1 4 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.388 -0.096 25573 2049 1 4 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.664 -1.560 25573 2050 1 4 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.616 -2.770 25573 2051 1 4 . 1 1 79 79 GLU H H 79 8.795 8.795 7.763 1.032 25573 2052 1 4 . 1 1 80 80 ILE N N 80 120.491 120.491 119.958 0.533 25573 2053 1 4 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.735 -0.006 25573 2054 1 4 . 1 1 80 80 ILE CA C 80 62.466 62.466 64.447 -1.981 25573 2055 1 4 . 1 1 80 80 ILE CB C 80 36.109 36.109 36.416 -0.307 25573 2056 1 4 . 1 1 80 80 ILE H H 80 7.892 7.892 8.287 -0.395 25573 2057 1 4 . 1 1 81 81 ASP N N 81 120.491 120.491 121.066 -0.575 25573 2058 1 4 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.385 -0.079 25573 2059 1 4 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.909 -2.535 25573 2060 1 4 . 1 1 81 81 ASP CB C 81 37.376 37.376 41.065 -3.689 25573 2061 1 4 . 1 1 81 81 ASP H H 81 8.424 8.424 8.564 -0.140 25573 2062 1 4 . 1 1 82 82 MET N N 82 118.588 118.588 119.084 -0.496 25573 2063 1 4 . 1 1 82 82 MET HA H 82 4.610 4.610 4.286 0.324 25573 2064 1 4 . 1 1 82 82 MET CA C 82 54.472 54.472 58.552 -4.080 25573 2065 1 4 . 1 1 82 82 MET CB C 82 29.557 29.557 32.689 -3.132 25573 2066 1 4 . 1 1 82 82 MET H H 82 8.215 8.215 7.861 0.354 25573 2067 1 4 . 1 1 83 83 ALA N N 83 127.525 127.525 124.122 3.403 25573 2068 1 4 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.281 -0.182 25573 2069 1 4 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.033 -1.125 25573 2070 1 4 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.442 -3.632 25573 2071 1 4 . 1 1 83 83 ALA H H 83 10.165 10.165 7.951 2.214 25573 2072 1 4 . 1 1 84 84 ILE N N 84 115.968 115.968 119.211 -3.243 25573 2073 1 4 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.621 -0.087 25573 2074 1 4 . 1 1 84 84 ILE CA C 84 64.377 64.377 64.543 -0.166 25573 2075 1 4 . 1 1 84 84 ILE CB C 84 35.417 35.417 38.319 -2.902 25573 2076 1 4 . 1 1 84 84 ILE H H 84 8.437 8.437 7.661 0.776 25573 2077 1 4 . 1 1 85 85 VAL N N 85 117.106 117.106 118.842 -1.736 25573 2078 1 4 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.423 0.622 25573 2079 1 4 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.319 -11.394 25573 2080 1 4 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.685 -2.500 25573 2081 1 4 . 1 1 85 85 VAL H H 85 7.835 7.835 8.142 -0.307 25573 2082 1 4 . 1 1 86 86 THR N N 86 116.673 116.673 114.266 2.407 25573 2083 1 4 . 1 1 86 86 THR HA H 86 4.181 4.181 3.328 0.853 25573 2084 1 4 . 1 1 86 86 THR CA C 86 59.627 59.627 65.982 -6.355 25573 2085 1 4 . 1 1 86 86 THR CB C 86 65.856 65.856 68.273 -2.417 25573 2086 1 4 . 1 1 86 86 THR H H 86 8.254 8.254 7.644 0.610 25573 2087 1 4 . 1 1 87 87 LEU N N 87 121.447 121.447 121.130 0.317 25573 2088 1 4 . 1 1 87 87 LEU HA H 87 4.582 4.582 3.878 0.704 25573 2089 1 4 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.712 -0.856 25573 2090 1 4 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.449 -9.624 25573 2091 1 4 . 1 1 87 87 LEU H H 87 7.913 7.913 8.240 -0.327 25573 2092 1 4 . 1 1 88 88 LYS N N 88 119.505 119.505 119.469 0.036 25573 2093 1 4 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.706 0.435 25573 2094 1 4 . 1 1 88 88 LYS CA C 88 56.070 56.070 58.792 -2.722 25573 2095 1 4 . 1 1 88 88 LYS CB C 88 29.887 29.887 31.982 -2.095 25573 2096 1 4 . 1 1 88 88 LYS H H 88 7.970 7.970 7.450 0.520 25573 2097 1 4 . 1 1 89 89 VAL N N 89 119.366 119.366 120.476 -1.110 25573 2098 1 4 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.685 0.135 25573 2099 1 4 . 1 1 89 89 VAL CA C 89 56.956 56.956 65.250 -8.294 25573 2100 1 4 . 1 1 89 89 VAL H H 89 8.082 8.082 7.935 0.147 25573 2101 1 4 . 1 1 90 90 PHE N N 90 119.366 119.366 120.690 -1.324 25573 2102 1 4 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.471 -0.047 25573 2103 1 4 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.855 -4.705 25573 2104 1 4 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.149 -2.519 25573 2105 1 4 . 1 1 90 90 PHE H H 90 8.104 8.104 8.422 -0.318 25573 2106 1 4 . 1 1 91 91 ALA N N 91 118.916 118.916 121.151 -2.235 25573 2107 1 4 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.614 0.902 25573 2108 1 4 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.775 -0.363 25573 2109 1 4 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.118 -2.228 25573 2110 1 4 . 1 1 91 91 ALA H H 91 8.187 8.187 7.430 0.757 25573 2111 1 4 . 1 1 92 92 VAL N N 92 113.741 113.741 118.350 -4.609 25573 2112 1 4 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.704 -0.117 25573 2113 1 4 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.426 -2.847 25573 2114 1 4 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.211 -0.419 25573 2115 1 4 . 1 1 92 92 VAL H H 92 8.196 8.196 8.461 -0.265 25573 2116 1 4 . 1 1 93 93 ALA N N 93 119.366 119.366 120.501 -1.135 25573 2117 1 4 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.265 0.429 25573 2118 1 4 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.112 -3.831 25573 2119 1 4 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.286 -1.571 25573 2120 1 4 . 1 1 93 93 ALA H H 93 8.564 8.564 8.306 0.258 25573 2121 1 4 . 1 1 94 94 GLY N N 94 104.958 104.958 106.743 -1.785 25573 2122 1 4 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.693 -1.769 25573 2123 1 4 . 1 1 94 94 GLY H H 94 6.940 6.940 7.562 -0.622 25573 2124 1 4 . 1 1 95 95 LEU N N 95 120.679 120.679 121.341 -0.662 25573 2125 1 4 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.013 -0.008 25573 2126 1 4 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.511 -3.107 25573 2127 1 4 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.931 -3.706 25573 2128 1 4 . 1 1 95 95 LEU H H 95 7.724 7.724 7.566 0.158 25573 2129 1 4 . 1 1 96 96 LEU N N 96 115.261 115.261 116.590 -1.329 25573 2130 1 4 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.375 -0.100 25573 2131 1 4 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.620 -2.350 25573 2132 1 4 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.303 -2.617 25573 2133 1 4 . 1 1 96 96 LEU H H 96 7.723 7.723 7.796 -0.073 25573 2134 1 4 . 1 1 97 97 ASN N N 97 112.672 112.672 113.514 -0.842 25573 2135 1 4 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.456 -0.215 25573 2136 1 4 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.331 -3.131 25573 2137 1 4 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.913 -2.468 25573 2138 1 4 . 1 1 97 97 ASN H H 97 6.694 6.694 7.387 -0.693 25573 2139 1 4 . 1 1 98 98 MET N N 98 115.968 115.968 118.092 -2.124 25573 2140 1 4 . 1 1 98 98 MET HA H 98 4.614 4.614 4.298 0.316 25573 2141 1 4 . 1 1 98 98 MET CA C 98 51.685 51.685 56.722 -5.037 25573 2142 1 4 . 1 1 98 98 MET CB C 98 29.808 29.808 33.344 -3.536 25573 2143 1 4 . 1 1 98 98 MET H H 98 8.168 8.168 7.676 0.492 25573 2144 1 4 . 1 1 99 99 THR N N 99 118.683 118.683 112.078 6.605 25573 2145 1 4 . 1 1 99 99 THR HA H 99 4.184 4.184 4.454 -0.270 25573 2146 1 4 . 1 1 99 99 THR CA C 99 59.813 59.813 60.438 -0.625 25573 2147 1 4 . 1 1 99 99 THR CB C 99 65.438 65.438 68.364 -2.926 25573 2148 1 4 . 1 1 99 99 THR H H 99 8.562 8.562 8.332 0.230 25573 2149 1 4 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.340 -0.221 25573 2150 1 4 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.592 -4.890 25573 2151 1 4 . 1 1 100 100 VAL H H 100 8.392 8.392 7.785 0.607 25573 2152 1 4 . 1 1 101 101 SER N N 101 121.736 121.736 120.052 1.684 25573 2153 1 4 . 1 1 101 101 SER HA H 101 4.645 4.645 4.921 -0.276 25573 2154 1 4 . 1 1 101 101 SER CA C 101 56.852 56.852 58.618 -1.766 25573 2155 1 4 . 1 1 101 101 SER CB C 101 61.739 61.739 63.642 -1.903 25573 2156 1 4 . 1 1 101 101 SER H H 101 8.079 8.079 8.775 -0.696 25573 2157 1 4 . 1 1 102 102 THR N N 102 110.147 110.147 110.698 -0.551 25573 2158 1 4 . 1 1 102 102 THR HA H 102 5.450 5.450 4.685 0.765 25573 2159 1 4 . 1 1 102 102 THR CA C 102 56.522 56.522 60.643 -4.121 25573 2160 1 4 . 1 1 102 102 THR CB C 102 71.007 71.007 70.884 0.123 25573 2161 1 4 . 1 1 102 102 THR H H 102 7.276 7.276 7.299 -0.023 25573 2162 1 4 . 1 1 103 103 ALA N N 103 124.013 124.013 129.838 -5.825 25573 2163 1 4 . 1 1 103 103 ALA HA H 103 3.954 3.954 3.983 -0.029 25573 2164 1 4 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.441 -3.163 25573 2165 1 4 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.858 -3.174 25573 2166 1 4 . 1 1 103 103 ALA H H 103 8.433 8.433 8.689 -0.256 25573 2167 1 4 . 1 1 104 104 ALA N N 104 119.649 119.649 120.395 -0.746 25573 2168 1 4 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.113 0.173 25573 2169 1 4 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.633 -2.331 25573 2170 1 4 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.290 -1.770 25573 2171 1 4 . 1 1 104 104 ALA H H 104 8.474 8.474 8.227 0.247 25573 2172 1 4 . 1 1 105 105 ALA N N 105 120.587 120.587 120.965 -0.378 25573 2173 1 4 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.947 0.317 25573 2174 1 4 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.843 -2.644 25573 2175 1 4 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.545 -2.800 25573 2176 1 4 . 1 1 105 105 ALA H H 105 8.050 8.050 7.725 0.325 25573 2177 1 4 . 1 1 106 106 ALA N N 106 121.752 121.752 121.207 0.545 25573 2178 1 4 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.978 -0.711 25573 2179 1 4 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.234 -3.723 25573 2180 1 4 . 1 1 106 106 ALA CB C 106 16.048 16.048 17.905 -1.857 25573 2181 1 4 . 1 1 106 106 ALA H H 106 8.071 8.071 7.885 0.186 25573 2182 1 4 . 1 1 107 107 GLU N N 107 119.133 119.133 118.994 0.139 25573 2183 1 4 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.923 -0.064 25573 2184 1 4 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.915 -2.580 25573 2185 1 4 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.596 -2.487 25573 2186 1 4 . 1 1 107 107 GLU H H 107 8.711 8.711 7.884 0.827 25573 2187 1 4 . 1 1 108 108 ASN N N 108 118.306 118.306 117.311 0.995 25573 2188 1 4 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.541 0.060 25573 2189 1 4 . 1 1 108 108 ASN CA C 108 53.971 53.971 55.847 -1.876 25573 2190 1 4 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.176 -2.724 25573 2191 1 4 . 1 1 108 108 ASN H H 108 8.045 8.045 8.058 -0.013 25573 2192 1 4 . 1 1 109 109 MET N N 109 120.038 120.038 120.776 -0.738 25573 2193 1 4 . 1 1 109 109 MET HA H 109 4.305 4.305 4.159 0.146 25573 2194 1 4 . 1 1 109 109 MET CA C 109 55.602 55.602 59.743 -4.141 25573 2195 1 4 . 1 1 109 109 MET CB C 109 29.771 29.771 32.584 -2.813 25573 2196 1 4 . 1 1 109 109 MET H H 109 8.401 8.401 7.986 0.415 25573 2197 1 4 . 1 1 110 110 TYR N N 110 121.616 121.616 119.296 2.320 25573 2198 1 4 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.060 -0.397 25573 2199 1 4 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.968 -3.043 25573 2200 1 4 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.276 -2.350 25573 2201 1 4 . 1 1 110 110 TYR H H 110 8.651 8.651 8.482 0.169 25573 2202 1 4 . 1 1 111 111 SER N N 111 110.621 110.621 114.396 -3.775 25573 2203 1 4 . 1 1 111 111 SER HA H 111 4.540 4.540 4.336 0.204 25573 2204 1 4 . 1 1 111 111 SER CA C 111 58.395 58.395 61.430 -3.035 25573 2205 1 4 . 1 1 111 111 SER CB C 111 60.600 60.600 63.267 -2.667 25573 2206 1 4 . 1 1 111 111 SER H H 111 7.394 7.394 7.999 -0.605 25573 2207 1 4 . 1 1 112 112 GLN N N 112 125.643 125.643 121.939 3.704 25573 2208 1 4 . 1 1 112 112 GLN HA H 112 4.059 4.059 3.999 0.060 25573 2209 1 4 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.434 -2.351 25573 2210 1 4 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.787 -3.142 25573 2211 1 4 . 1 1 112 112 GLN H H 112 8.774 8.774 8.156 0.618 25573 2212 1 4 . 1 1 113 113 MET N N 113 114.866 114.866 116.369 -1.503 25573 2213 1 4 . 1 1 113 113 MET HA H 113 4.275 4.275 4.185 0.090 25573 2214 1 4 . 1 1 113 113 MET CA C 113 53.246 53.246 56.762 -3.516 25573 2215 1 4 . 1 1 113 113 MET CB C 113 31.365 31.365 33.392 -2.027 25573 2216 1 4 . 1 1 113 113 MET H H 113 8.070 8.070 7.891 0.179 25573 2217 1 4 . 1 1 114 114 GLY N N 114 107.252 107.252 105.693 1.559 25573 2218 1 4 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.212 -2.252 25573 2219 1 4 . 1 1 114 114 GLY H H 114 8.012 8.012 7.989 0.023 25573 2220 1 4 . 1 1 115 115 LEU N N 115 114.939 114.939 118.372 -3.433 25573 2221 1 4 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.423 -0.548 25573 2222 1 4 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.963 -1.754 25573 2223 1 4 . 1 1 115 115 LEU CB C 115 35.458 35.458 42.498 -7.040 25573 2224 1 4 . 1 1 115 115 LEU H H 115 7.447 7.447 7.644 -0.197 25573 2225 1 4 . 1 1 116 116 ASP N N 116 116.423 116.423 118.642 -2.219 25573 2226 1 4 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.771 -0.101 25573 2227 1 4 . 1 1 116 116 ASP CA C 116 52.303 52.303 52.429 -0.126 25573 2228 1 4 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.465 -6.146 25573 2229 1 4 . 1 1 116 116 ASP H H 116 8.518 8.518 7.592 0.926 25573 2230 1 4 . 1 1 117 117 THR N N 117 113.582 113.582 118.029 -4.447 25573 2231 1 4 . 1 1 117 117 THR HA H 117 4.194 4.194 4.420 -0.226 25573 2232 1 4 . 1 1 117 117 THR CA C 117 58.925 58.925 62.271 -3.346 25573 2233 1 4 . 1 1 117 117 THR CB C 117 67.320 67.320 69.607 -2.287 25573 2234 1 4 . 1 1 117 117 THR H H 117 7.240 7.240 8.471 -1.231 25573 2235 1 4 . 1 1 118 118 ARG N N 118 126.068 126.068 123.498 2.570 25573 2236 1 4 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.594 -0.028 25573 2237 1 4 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.531 -2.188 25573 2238 1 4 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.541 2.167 25573 2239 1 4 . 1 1 118 118 ARG H H 118 8.711 8.711 8.490 0.221 25573 2240 1 4 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.516 -2.438 25573 2241 1 4 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.586 -2.543 25573 2242 1 4 . 1 1 120 120 SER N N 120 116.251 116.251 116.297 -0.046 25573 2243 1 4 . 1 1 120 120 SER HA H 120 4.385 4.385 4.641 -0.256 25573 2244 1 4 . 1 1 120 120 SER CA C 120 55.352 55.352 58.272 -2.920 25573 2245 1 4 . 1 1 120 120 SER CB C 120 61.037 61.037 64.373 -3.336 25573 2246 1 4 . 1 1 120 120 SER H H 120 8.385 8.385 8.148 0.237 25573 2247 1 4 . 1 1 121 121 MET N N 121 123.171 123.171 124.119 -0.948 25573 2248 1 4 . 1 1 121 121 MET HA H 121 4.289 4.289 4.535 -0.246 25573 2249 1 4 . 1 1 121 121 MET CA C 121 53.282 53.282 55.278 -1.996 25573 2250 1 4 . 1 1 121 121 MET CB C 121 30.755 30.755 33.822 -3.067 25573 2251 1 4 . 1 1 121 121 MET H H 121 8.297 8.297 8.303 -0.006 25573 2252 1 4 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.502 -0.244 25573 2253 1 4 . 1 1 122 122 LYS CA C 122 53.669 53.669 55.582 -1.913 25573 2254 1 4 . 1 1 123 123 GLU N N 123 122.135 122.135 120.790 1.345 25573 2255 1 4 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.603 -8.700 25573 2256 1 4 . 1 1 123 123 GLU CB C 123 30.404 30.404 29.296 1.108 25573 2257 1 4 . 1 1 123 123 GLU H H 123 8.505 8.505 8.601 -0.096 25573 2258 1 4 . 1 1 124 124 ALA N N 124 125.340 125.340 125.187 0.153 25573 2259 1 4 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.471 -0.140 25573 2260 1 4 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.275 -2.442 25573 2261 1 4 . 1 1 124 124 ALA CB C 124 16.665 16.665 19.044 -2.379 25573 2262 1 4 . 1 1 124 124 ALA H H 124 8.422 8.422 8.276 0.146 25573 2263 1 4 . 1 1 125 125 GLY N N 125 108.426 108.426 107.506 0.920 25573 2264 1 4 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.484 -2.743 25573 2265 1 4 . 1 1 125 125 GLY H H 125 8.401 8.401 9.541 -1.140 25573 2266 1 4 . 1 1 126 126 GLY N N 126 109.792 109.792 108.815 0.977 25573 2267 1 4 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.559 -2.312 25573 2268 1 4 . 1 1 126 126 GLY H H 126 8.515 8.515 8.039 0.476 25573 2269 1 4 . 1 1 127 127 LYS N N 127 120.366 120.366 122.289 -1.923 25573 2270 1 4 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.701 -0.380 25573 2271 1 4 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.782 -3.238 25573 2272 1 4 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.468 -3.116 25573 2273 1 4 . 1 1 127 127 LYS H H 127 8.244 8.244 8.228 0.016 25573 2274 1 4 . 1 1 128 128 GLU N N 128 122.270 122.270 121.695 0.575 25573 2275 1 4 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.621 -0.577 25573 2276 1 4 . 1 1 128 128 GLU H H 128 8.559 8.559 8.668 -0.109 25573 2277 1 4 . 1 1 129 129 GLU N N 129 122.282 122.282 120.408 1.874 25573 2278 1 4 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.002 0.534 25573 2279 1 4 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.243 -0.054 25573 2280 1 4 . 1 1 129 129 GLU H H 129 8.027 8.027 8.283 -0.256 25573 2281 1 4 . 1 1 130 130 GLY N N 130 110.258 110.258 109.729 0.529 25573 2282 1 4 . 1 1 130 130 GLY CA C 130 41.661 41.661 43.812 -2.151 25573 2283 1 4 . 1 1 130 130 GLY H H 130 10.190 10.190 7.898 2.292 25573 2284 1 4 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.517 -0.138 25573 2285 1 4 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.902 -2.433 25573 2286 1 4 . 1 1 132 132 PRO CB C 132 29.231 29.231 31.771 -2.540 25573 2287 1 4 . 1 1 133 133 GLN N N 133 119.932 119.932 122.533 -2.601 25573 2288 1 4 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.253 0.066 25573 2289 1 4 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.895 -2.646 25573 2290 1 4 . 1 1 133 133 GLN CB C 133 29.655 29.655 28.865 0.790 25573 2291 1 4 . 1 1 133 133 GLN H H 133 8.478 8.478 8.235 0.243 25573 2292 1 4 . 1 1 134 134 ALA N N 134 124.828 124.828 125.568 -0.740 25573 2293 1 4 . 1 1 134 134 ALA HA H 134 4.249 4.249 3.914 0.335 25573 2294 1 4 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.427 -2.735 25573 2295 1 4 . 1 1 134 134 ALA CB C 134 16.024 16.024 17.216 -1.192 25573 2296 1 4 . 1 1 134 134 ALA H H 134 8.263 8.263 8.659 -0.396 25573 2297 1 5 . 1 1 3 3 ASN N N 3 119.366 119.366 119.100 0.266 25573 2298 1 5 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.727 -0.144 25573 2299 1 5 . 1 1 3 3 ASN CA C 3 51.391 51.391 52.950 -1.558 25573 2300 1 5 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.005 -2.293 25573 2301 1 5 . 1 1 3 3 ASN H H 3 8.596 8.596 8.592 0.004 25573 2302 1 5 . 1 1 4 4 GLY N N 4 112.829 112.829 111.049 1.780 25573 2303 1 5 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.175 -2.473 25573 2304 1 5 . 1 1 4 4 GLY H H 4 8.073 8.073 8.160 -0.087 25573 2305 1 5 . 1 1 5 5 ALA N N 5 123.630 123.630 121.609 2.021 25573 2306 1 5 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.677 -0.274 25573 2307 1 5 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.873 -3.233 25573 2308 1 5 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.632 -3.218 25573 2309 1 5 . 1 1 5 5 ALA H H 5 8.008 8.008 8.059 -0.051 25573 2310 1 5 . 1 1 6 6 SER N N 6 114.866 114.866 117.990 -3.124 25573 2311 1 5 . 1 1 6 6 SER HA H 6 4.270 4.270 4.781 -0.511 25573 2312 1 5 . 1 1 6 6 SER CA C 6 56.023 56.023 57.669 -1.646 25573 2313 1 5 . 1 1 6 6 SER CB C 6 60.936 60.936 63.838 -2.902 25573 2314 1 5 . 1 1 6 6 SER H H 6 8.293 8.293 8.462 -0.169 25573 2315 1 5 . 1 1 7 7 ARG N N 7 119.250 119.250 123.141 -3.891 25573 2316 1 5 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.525 -0.019 25573 2317 1 5 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.227 0.195 25573 2318 1 5 . 1 1 7 7 ARG H H 7 8.305 8.305 8.453 -0.148 25573 2319 1 5 . 1 1 8 8 ASP N N 8 119.662 119.662 119.390 0.272 25573 2320 1 5 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.409 -0.256 25573 2321 1 5 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.286 -1.732 25573 2322 1 5 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.583 -14.082 25573 2323 1 5 . 1 1 8 8 ASP H H 8 7.915 7.915 8.599 -0.684 25573 2324 1 5 . 1 1 9 9 TRP N N 9 121.861 121.861 120.381 1.480 25573 2325 1 5 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.353 -0.237 25573 2326 1 5 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.205 -4.243 25573 2327 1 5 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.611 -1.589 25573 2328 1 5 . 1 1 9 9 TRP H H 9 8.222 8.222 8.092 0.130 25573 2329 1 5 . 1 1 10 10 LYS N N 10 118.681 118.681 118.942 -0.261 25573 2330 1 5 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.887 0.395 25573 2331 1 5 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.767 -0.868 25573 2332 1 5 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.402 -4.363 25573 2333 1 5 . 1 1 10 10 LYS H H 10 8.003 8.003 8.054 -0.051 25573 2334 1 5 . 1 1 11 11 MET N N 11 119.366 119.366 118.688 0.678 25573 2335 1 5 . 1 1 11 11 MET HA H 11 4.559 4.559 4.103 0.456 25573 2336 1 5 . 1 1 11 11 MET CA C 11 53.485 53.485 59.143 -5.658 25573 2337 1 5 . 1 1 11 11 MET H H 11 8.041 8.041 8.000 0.041 25573 2338 1 5 . 1 1 12 12 ALA N N 12 122.650 122.650 123.149 -0.499 25573 2339 1 5 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.049 0.160 25573 2340 1 5 . 1 1 12 12 ALA CA C 12 59.799 59.799 55.014 4.785 25573 2341 1 5 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.481 -0.709 25573 2342 1 5 . 1 1 12 12 ALA H H 12 7.904 7.904 8.240 -0.336 25573 2343 1 5 . 1 1 13 13 ILE N N 13 117.322 117.322 117.665 -0.343 25573 2344 1 5 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.803 1.775 25573 2345 1 5 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.551 -7.648 25573 2346 1 5 . 1 1 13 13 ILE H H 13 8.380 8.380 8.145 0.235 25573 2347 1 5 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.704 1.212 25573 2348 1 5 . 1 1 16 16 CYS N N 16 116.263 116.263 120.888 -4.625 25573 2349 1 5 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.151 -0.106 25573 2350 1 5 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.572 -2.788 25573 2351 1 5 . 1 1 16 16 CYS CB C 16 28.810 28.810 25.688 3.122 25573 2352 1 5 . 1 1 16 16 CYS H H 16 7.799 7.799 7.989 -0.190 25573 2353 1 5 . 1 1 17 17 SER N N 17 114.606 114.606 116.433 -1.827 25573 2354 1 5 . 1 1 17 17 SER HA H 17 4.952 4.952 4.358 0.594 25573 2355 1 5 . 1 1 17 17 SER CA C 17 58.171 58.171 61.727 -3.556 25573 2356 1 5 . 1 1 17 17 SER CB C 17 60.740 60.740 62.787 -2.047 25573 2357 1 5 . 1 1 17 17 SER H H 17 7.830 7.830 8.125 -0.295 25573 2358 1 5 . 1 1 18 18 ASN N N 18 116.143 116.143 117.759 -1.616 25573 2359 1 5 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.617 0.391 25573 2360 1 5 . 1 1 18 18 ASN CA C 18 50.475 50.475 54.582 -4.107 25573 2361 1 5 . 1 1 18 18 ASN CB C 18 37.289 37.289 39.376 -2.087 25573 2362 1 5 . 1 1 18 18 ASN H H 18 7.557 7.557 7.806 -0.249 25573 2363 1 5 . 1 1 19 19 VAL N N 19 121.616 121.616 121.806 -0.190 25573 2364 1 5 . 1 1 19 19 VAL HA H 19 3.499 3.499 3.943 -0.444 25573 2365 1 5 . 1 1 19 19 VAL CA C 19 59.730 59.730 63.773 -4.043 25573 2366 1 5 . 1 1 19 19 VAL CB C 19 29.042 29.042 32.309 -3.267 25573 2367 1 5 . 1 1 19 19 VAL H H 19 7.919 7.919 7.790 0.129 25573 2368 1 5 . 1 1 20 20 ALA N N 20 129.139 129.139 128.122 1.017 25573 2369 1 5 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.552 0.243 25573 2370 1 5 . 1 1 20 20 ALA C C 20 169.500 169.500 177.867 -8.367 25573 2371 1 5 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.128 -0.713 25573 2372 1 5 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.704 -3.988 25573 2373 1 5 . 1 1 20 20 ALA H H 20 8.150 8.150 8.171 -0.021 25573 2374 1 5 . 1 1 21 21 VAL N N 21 120.390 120.390 119.776 0.614 25573 2375 1 5 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.652 0.115 25573 2376 1 5 . 1 1 21 21 VAL CA C 21 63.578 63.578 65.458 -1.880 25573 2377 1 5 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.659 -1.913 25573 2378 1 5 . 1 1 21 21 VAL H H 21 8.319 8.319 7.885 0.434 25573 2379 1 5 . 1 1 22 22 GLY N N 22 108.884 108.884 103.173 5.711 25573 2380 1 5 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.395 -2.427 25573 2381 1 5 . 1 1 22 22 GLY H H 22 8.221 8.221 7.249 0.972 25573 2382 1 5 . 1 1 23 23 VAL N N 23 117.439 117.439 116.302 1.137 25573 2383 1 5 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.907 0.331 25573 2384 1 5 . 1 1 23 23 VAL CA C 23 59.088 59.088 64.240 -5.152 25573 2385 1 5 . 1 1 23 23 VAL CB C 23 30.434 30.434 31.797 -1.363 25573 2386 1 5 . 1 1 23 23 VAL H H 23 8.003 8.003 8.242 -0.239 25573 2387 1 5 . 1 1 24 24 GLY N N 24 112.616 112.616 107.849 4.767 25573 2388 1 5 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.425 -1.646 25573 2389 1 5 . 1 1 24 24 GLY H H 24 8.716 8.716 7.969 0.747 25573 2390 1 5 . 1 1 25 25 GLY N N 25 108.753 108.753 107.126 1.627 25573 2391 1 5 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.502 -2.502 25573 2392 1 5 . 1 1 25 25 GLY H H 25 8.286 8.286 7.835 0.451 25573 2393 1 5 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.304 0.072 25573 2394 1 5 . 1 1 26 26 LYS CA C 26 53.512 53.512 57.942 -4.430 25573 2395 1 5 . 1 1 27 27 SER HA H 27 4.922 4.922 4.505 0.417 25573 2396 1 5 . 1 1 27 27 SER CA C 27 56.876 56.876 58.343 -1.468 25573 2397 1 5 . 1 1 27 27 SER CB C 27 64.578 64.578 63.616 0.962 25573 2398 1 5 . 1 1 27 27 SER H H 27 7.831 7.831 8.026 -0.195 25573 2399 1 5 . 1 1 28 28 LYS N N 28 122.919 122.919 122.209 0.710 25573 2400 1 5 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.382 -0.198 25573 2401 1 5 . 1 1 28 28 LYS CA C 28 56.539 56.539 56.118 0.421 25573 2402 1 5 . 1 1 28 28 LYS CB C 28 33.366 33.366 32.548 0.818 25573 2403 1 5 . 1 1 28 28 LYS H H 28 8.589 8.589 8.385 0.204 25573 2404 1 5 . 1 1 29 29 LYS N N 29 120.917 120.917 119.133 1.784 25573 2405 1 5 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.420 -0.037 25573 2406 1 5 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.621 -2.086 25573 2407 1 5 . 1 1 29 29 LYS CB C 29 32.076 32.076 33.727 -1.651 25573 2408 1 5 . 1 1 29 29 LYS H H 29 8.471 8.471 7.612 0.859 25573 2409 1 5 . 1 1 30 30 PHE N N 30 119.366 119.366 120.356 -0.990 25573 2410 1 5 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.492 -0.634 25573 2411 1 5 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.551 0.621 25573 2412 1 5 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.384 -2.142 25573 2413 1 5 . 1 1 30 30 PHE H H 30 8.000 8.000 8.106 -0.106 25573 2414 1 5 . 1 1 31 31 GLY N N 31 106.991 106.991 104.717 2.274 25573 2415 1 5 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.247 -3.311 25573 2416 1 5 . 1 1 31 31 GLY H H 31 8.404 8.404 7.246 1.158 25573 2417 1 5 . 1 1 32 32 GLU N N 32 120.491 120.491 121.539 -1.048 25573 2418 1 5 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.081 0.031 25573 2419 1 5 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.465 -1.294 25573 2420 1 5 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.237 -1.931 25573 2421 1 5 . 1 1 32 32 GLU H H 32 9.168 9.168 8.967 0.201 25573 2422 1 5 . 1 1 33 33 GLY N N 33 109.241 109.241 108.780 0.461 25573 2423 1 5 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.946 -3.355 25573 2424 1 5 . 1 1 33 33 GLY H H 33 8.613 8.613 8.544 0.069 25573 2425 1 5 . 1 1 34 34 ASN N N 34 118.241 118.241 121.277 -3.036 25573 2426 1 5 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.392 -0.354 25573 2427 1 5 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.322 -1.859 25573 2428 1 5 . 1 1 34 34 ASN CB C 34 36.394 36.394 37.981 -1.587 25573 2429 1 5 . 1 1 34 34 ASN H H 34 7.897 7.897 7.309 0.588 25573 2430 1 5 . 1 1 35 35 PHE N N 35 117.116 117.116 118.929 -1.813 25573 2431 1 5 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.101 -0.013 25573 2432 1 5 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.550 -1.238 25573 2433 1 5 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.604 -1.776 25573 2434 1 5 . 1 1 35 35 PHE H H 35 7.180 7.180 7.628 -0.448 25573 2435 1 5 . 1 1 36 36 ARG N N 36 117.825 117.825 119.609 -1.784 25573 2436 1 5 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.038 -0.466 25573 2437 1 5 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.868 -1.626 25573 2438 1 5 . 1 1 36 36 ARG CB C 36 33.997 33.997 30.003 3.994 25573 2439 1 5 . 1 1 36 36 ARG H H 36 8.278 8.278 8.270 0.008 25573 2440 1 5 . 1 1 37 37 TRP N N 37 118.845 118.845 121.291 -2.446 25573 2441 1 5 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.223 -0.089 25573 2442 1 5 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.169 -2.269 25573 2443 1 5 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.356 -1.907 25573 2444 1 5 . 1 1 37 37 TRP H H 37 8.106 8.106 8.030 0.076 25573 2445 1 5 . 1 1 38 38 ALA N N 38 119.609 119.609 122.930 -3.321 25573 2446 1 5 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.784 0.645 25573 2447 1 5 . 1 1 38 38 ALA CA C 38 52.894 52.894 55.007 -2.113 25573 2448 1 5 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.635 -2.236 25573 2449 1 5 . 1 1 38 38 ALA H H 38 8.332 8.332 8.026 0.306 25573 2450 1 5 . 1 1 39 39 ILE N N 39 114.866 114.866 119.390 -4.524 25573 2451 1 5 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.537 0.828 25573 2452 1 5 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.037 -10.453 25573 2453 1 5 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.738 -6.246 25573 2454 1 5 . 1 1 39 39 ILE H H 39 8.161 8.161 8.395 -0.234 25573 2455 1 5 . 1 1 40 40 ARG N N 40 120.240 120.240 117.584 2.656 25573 2456 1 5 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.807 0.259 25573 2457 1 5 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.340 -2.701 25573 2458 1 5 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.770 0.039 25573 2459 1 5 . 1 1 40 40 ARG H H 40 8.446 8.446 8.270 0.176 25573 2460 1 5 . 1 1 41 41 MET HA H 41 4.305 4.305 3.901 0.404 25573 2461 1 5 . 1 1 41 41 MET CA C 41 53.585 53.585 58.335 -4.750 25573 2462 1 5 . 1 1 41 41 MET CB C 41 29.902 29.902 31.655 -1.753 25573 2463 1 5 . 1 1 42 42 ALA N N 42 122.782 122.782 121.133 1.649 25573 2464 1 5 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.835 0.713 25573 2465 1 5 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.200 -2.924 25573 2466 1 5 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.040 -1.179 25573 2467 1 5 . 1 1 42 42 ALA H H 42 8.556 8.556 8.115 0.441 25573 2468 1 5 . 1 1 43 43 ASN N N 43 119.366 119.366 116.619 2.747 25573 2469 1 5 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.427 0.267 25573 2470 1 5 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.320 -5.983 25573 2471 1 5 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.606 -2.915 25573 2472 1 5 . 1 1 43 43 ASN H H 43 8.613 8.613 8.043 0.570 25573 2473 1 5 . 1 1 44 44 VAL N N 44 118.466 118.466 120.190 -1.724 25573 2474 1 5 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.741 0.158 25573 2475 1 5 . 1 1 44 44 VAL CA C 44 63.094 63.094 66.189 -3.095 25573 2476 1 5 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.456 -2.535 25573 2477 1 5 . 1 1 44 44 VAL H H 44 8.464 8.464 7.677 0.787 25573 2478 1 5 . 1 1 45 45 SER N N 45 113.763 113.763 114.736 -0.973 25573 2479 1 5 . 1 1 45 45 SER HA H 45 4.328 4.328 4.128 0.200 25573 2480 1 5 . 1 1 45 45 SER CA C 45 58.553 58.553 61.592 -3.038 25573 2481 1 5 . 1 1 45 45 SER CB C 45 61.343 61.343 63.422 -2.079 25573 2482 1 5 . 1 1 45 45 SER H H 45 7.963 7.963 7.965 -0.002 25573 2483 1 5 . 1 1 46 46 THR N N 46 106.729 106.729 108.311 -1.582 25573 2484 1 5 . 1 1 46 46 THR HA H 46 4.602 4.602 4.533 0.069 25573 2485 1 5 . 1 1 46 46 THR CA C 46 58.026 58.026 60.623 -2.597 25573 2486 1 5 . 1 1 46 46 THR CB C 46 67.285 67.285 69.105 -1.820 25573 2487 1 5 . 1 1 46 46 THR H H 46 7.560 7.560 7.863 -0.303 25573 2488 1 5 . 1 1 47 47 GLY N N 47 109.384 109.384 110.454 -1.070 25573 2489 1 5 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.863 -2.054 25573 2490 1 5 . 1 1 47 47 GLY H H 47 7.539 7.539 7.887 -0.348 25573 2491 1 5 . 1 1 48 48 ARG N N 48 120.563 120.563 120.391 0.172 25573 2492 1 5 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.911 0.442 25573 2493 1 5 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.153 -4.814 25573 2494 1 5 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.159 0.601 25573 2495 1 5 . 1 1 48 48 ARG H H 48 8.220 8.220 7.775 0.445 25573 2496 1 5 . 1 1 49 49 GLU N N 49 122.874 122.874 116.022 6.852 25573 2497 1 5 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.493 -0.171 25573 2498 1 5 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.559 -0.425 25573 2499 1 5 . 1 1 49 49 GLU CB C 49 29.104 29.104 31.938 -2.834 25573 2500 1 5 . 1 1 49 49 GLU H H 49 8.661 8.661 7.928 0.733 25573 2501 1 5 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.118 1.776 25573 2502 1 5 . 1 1 51 51 GLY N N 51 102.859 102.859 108.695 -5.836 25573 2503 1 5 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.949 -2.872 25573 2504 1 5 . 1 1 51 51 GLY H H 51 8.368 8.368 8.310 0.058 25573 2505 1 5 . 1 1 52 52 ASP N N 52 120.491 120.491 121.641 -1.150 25573 2506 1 5 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.717 -0.337 25573 2507 1 5 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.107 -2.426 25573 2508 1 5 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.583 -4.782 25573 2509 1 5 . 1 1 52 52 ASP H H 52 7.204 7.204 7.906 -0.702 25573 2510 1 5 . 1 1 53 53 ILE N N 53 127.662 127.662 116.075 11.587 25573 2511 1 5 . 1 1 53 53 ILE HA H 53 4.530 4.530 5.255 -0.725 25573 2512 1 5 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.073 -3.946 25573 2513 1 5 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.815 -3.320 25573 2514 1 5 . 1 1 53 53 ILE H H 53 8.255 8.255 7.570 0.685 25573 2515 1 5 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.604 -0.118 25573 2516 1 5 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.838 -2.719 25573 2517 1 5 . 1 1 54 54 PRO CB C 54 28.795 28.795 33.004 -4.209 25573 2518 1 5 . 1 1 55 55 GLU N N 55 117.116 117.116 116.288 0.828 25573 2519 1 5 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.337 0.169 25573 2520 1 5 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.716 -2.433 25573 2521 1 5 . 1 1 55 55 GLU CB C 55 29.682 29.682 30.758 -1.076 25573 2522 1 5 . 1 1 55 55 GLU H H 55 8.580 8.580 8.754 -0.174 25573 2523 1 5 . 1 1 56 56 THR N N 56 105.122 105.122 113.844 -8.722 25573 2524 1 5 . 1 1 56 56 THR HA H 56 4.832 4.832 4.559 0.273 25573 2525 1 5 . 1 1 56 56 THR CA C 56 55.381 55.381 61.133 -5.752 25573 2526 1 5 . 1 1 56 56 THR CB C 56 70.771 70.771 71.181 -0.410 25573 2527 1 5 . 1 1 56 56 THR H H 56 7.367 7.367 7.653 -0.286 25573 2528 1 5 . 1 1 57 57 LEU N N 57 122.564 122.564 124.987 -2.423 25573 2529 1 5 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.961 0.471 25573 2530 1 5 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.097 -2.688 25573 2531 1 5 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.005 -4.144 25573 2532 1 5 . 1 1 57 57 LEU H H 57 9.222 9.222 8.875 0.347 25573 2533 1 5 . 1 1 58 58 ASP N N 58 119.366 119.366 117.124 2.242 25573 2534 1 5 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.521 0.759 25573 2535 1 5 . 1 1 58 58 ASP CB C 58 37.357 37.357 39.926 -2.569 25573 2536 1 5 . 1 1 58 58 ASP H H 58 8.570 8.570 8.555 0.015 25573 2537 1 5 . 1 1 59 59 GLN N N 59 118.241 118.241 119.468 -1.227 25573 2538 1 5 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.125 -0.093 25573 2539 1 5 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.506 -2.589 25573 2540 1 5 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.838 -2.764 25573 2541 1 5 . 1 1 59 59 GLN H H 59 7.823 7.823 7.628 0.195 25573 2542 1 5 . 1 1 60 60 LEU N N 60 121.691 121.691 120.669 1.022 25573 2543 1 5 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.998 0.081 25573 2544 1 5 . 1 1 60 60 LEU CA C 60 55.271 55.271 57.936 -2.665 25573 2545 1 5 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.989 5.648 25573 2546 1 5 . 1 1 60 60 LEU H H 60 8.187 8.187 8.281 -0.094 25573 2547 1 5 . 1 1 61 61 ARG N N 61 117.960 117.960 119.226 -1.266 25573 2548 1 5 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.134 -0.068 25573 2549 1 5 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.441 -3.259 25573 2550 1 5 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.240 -1.324 25573 2551 1 5 . 1 1 61 61 ARG H H 61 9.133 9.133 7.953 1.180 25573 2552 1 5 . 1 1 62 62 LEU N N 62 118.408 118.408 119.702 -1.294 25573 2553 1 5 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.189 -0.163 25573 2554 1 5 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.084 -1.004 25573 2555 1 5 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.843 -3.479 25573 2556 1 5 . 1 1 62 62 LEU H H 62 7.817 7.817 7.750 0.067 25573 2557 1 5 . 1 1 63 63 VAL N N 63 119.177 119.177 120.403 -1.226 25573 2558 1 5 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.554 -0.017 25573 2559 1 5 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.345 -2.844 25573 2560 1 5 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.682 -2.798 25573 2561 1 5 . 1 1 63 63 VAL H H 63 7.368 7.368 7.649 -0.281 25573 2562 1 5 . 1 1 64 64 ILE N N 64 119.068 119.068 120.109 -1.041 25573 2563 1 5 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.596 -0.056 25573 2564 1 5 . 1 1 64 64 ILE CA C 64 64.481 64.481 64.798 -0.317 25573 2565 1 5 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.947 -3.235 25573 2566 1 5 . 1 1 64 64 ILE H H 64 8.320 8.320 7.727 0.593 25573 2567 1 5 . 1 1 65 65 CYS N N 65 119.131 119.131 119.363 -0.232 25573 2568 1 5 . 1 1 65 65 CYS HA H 65 4.330 4.330 3.976 0.354 25573 2569 1 5 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.945 -2.037 25573 2570 1 5 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.334 -3.442 25573 2571 1 5 . 1 1 65 65 CYS H H 65 9.076 9.076 7.973 1.103 25573 2572 1 5 . 1 1 66 66 ASP N N 66 120.537 120.537 121.188 -0.651 25573 2573 1 5 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.361 -0.049 25573 2574 1 5 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.752 0.012 25573 2575 1 5 . 1 1 66 66 ASP CB C 66 38.185 38.185 41.096 -2.911 25573 2576 1 5 . 1 1 66 66 ASP H H 66 8.512 8.512 7.742 0.770 25573 2577 1 5 . 1 1 67 67 LEU N N 67 119.364 119.364 121.371 -2.007 25573 2578 1 5 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.930 0.040 25573 2579 1 5 . 1 1 67 67 LEU CA C 67 56.986 56.986 57.996 -1.010 25573 2580 1 5 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.962 -9.216 25573 2581 1 5 . 1 1 67 67 LEU H H 67 8.971 8.971 8.117 0.854 25573 2582 1 5 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.052 0.377 25573 2583 1 5 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.744 -3.979 25573 2584 1 5 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.454 0.347 25573 2585 1 5 . 1 1 70 70 ARG N N 70 122.186 122.186 119.555 2.631 25573 2586 1 5 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.059 0.427 25573 2587 1 5 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.450 -6.917 25573 2588 1 5 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.228 0.113 25573 2589 1 5 . 1 1 70 70 ARG H H 70 8.345 8.345 7.803 0.542 25573 2590 1 5 . 1 1 71 71 ARG N N 71 121.616 121.616 118.203 3.413 25573 2591 1 5 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.010 -1.386 25573 2592 1 5 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.952 -4.773 25573 2593 1 5 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.577 0.430 25573 2594 1 5 . 1 1 71 71 ARG H H 71 8.480 8.480 8.643 -0.163 25573 2595 1 5 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.049 0.023 25573 2596 1 5 . 1 1 73 73 LYS CA C 73 55.976 55.976 59.015 -3.039 25573 2597 1 5 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.309 -1.557 25573 2598 1 5 . 1 1 74 74 PHE N N 74 115.001 115.001 117.146 -2.145 25573 2599 1 5 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.331 0.491 25573 2600 1 5 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.341 -4.220 25573 2601 1 5 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.641 -3.054 25573 2602 1 5 . 1 1 74 74 PHE H H 74 8.530 8.530 7.742 0.788 25573 2603 1 5 . 1 1 75 75 GLY N N 75 110.366 110.366 105.379 4.987 25573 2604 1 5 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.360 -2.356 25573 2605 1 5 . 1 1 75 75 GLY H H 75 7.799 7.799 7.586 0.213 25573 2606 1 5 . 1 1 76 76 SER N N 76 113.283 113.283 115.143 -1.860 25573 2607 1 5 . 1 1 76 76 SER HA H 76 4.523 4.523 4.823 -0.300 25573 2608 1 5 . 1 1 76 76 SER CA C 76 54.361 54.361 57.815 -3.454 25573 2609 1 5 . 1 1 76 76 SER CB C 76 61.887 61.887 63.956 -2.069 25573 2610 1 5 . 1 1 76 76 SER H H 76 8.417 8.417 8.374 0.043 25573 2611 1 5 . 1 1 77 77 SER N N 77 114.950 114.950 118.323 -3.373 25573 2612 1 5 . 1 1 77 77 SER HA H 77 4.535 4.535 4.741 -0.206 25573 2613 1 5 . 1 1 77 77 SER CA C 77 53.833 53.833 57.439 -3.606 25573 2614 1 5 . 1 1 77 77 SER CB C 77 63.488 63.488 65.031 -1.543 25573 2615 1 5 . 1 1 77 77 SER H H 77 8.428 8.428 8.002 0.426 25573 2616 1 5 . 1 1 78 78 LYS N N 78 122.032 122.032 123.140 -1.108 25573 2617 1 5 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.030 0.645 25573 2618 1 5 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.554 -5.427 25573 2619 1 5 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.229 -2.994 25573 2620 1 5 . 1 1 78 78 LYS H H 78 9.044 9.044 8.934 0.110 25573 2621 1 5 . 1 1 79 79 GLU N N 79 118.232 118.232 119.604 -1.372 25573 2622 1 5 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.192 0.100 25573 2623 1 5 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.900 -1.796 25573 2624 1 5 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.627 -2.781 25573 2625 1 5 . 1 1 79 79 GLU H H 79 8.795 8.795 7.784 1.011 25573 2626 1 5 . 1 1 80 80 ILE N N 80 120.491 120.491 121.000 -0.509 25573 2627 1 5 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.674 0.055 25573 2628 1 5 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.707 -3.241 25573 2629 1 5 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.955 -1.846 25573 2630 1 5 . 1 1 80 80 ILE H H 80 7.892 7.892 7.718 0.174 25573 2631 1 5 . 1 1 81 81 ASP N N 81 120.491 120.491 118.877 1.614 25573 2632 1 5 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.307 -0.001 25573 2633 1 5 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.939 -2.565 25573 2634 1 5 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.784 -3.408 25573 2635 1 5 . 1 1 81 81 ASP H H 81 8.424 8.424 8.333 0.091 25573 2636 1 5 . 1 1 82 82 MET N N 82 118.588 118.588 119.226 -0.638 25573 2637 1 5 . 1 1 82 82 MET HA H 82 4.610 4.610 4.192 0.418 25573 2638 1 5 . 1 1 82 82 MET CA C 82 54.472 54.472 59.068 -4.596 25573 2639 1 5 . 1 1 82 82 MET CB C 82 29.557 29.557 32.570 -3.013 25573 2640 1 5 . 1 1 82 82 MET H H 82 8.215 8.215 7.849 0.366 25573 2641 1 5 . 1 1 83 83 ALA N N 83 127.525 127.525 123.463 4.062 25573 2642 1 5 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.157 -0.058 25573 2643 1 5 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.120 -1.212 25573 2644 1 5 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.237 -3.427 25573 2645 1 5 . 1 1 83 83 ALA H H 83 10.165 10.165 8.163 2.002 25573 2646 1 5 . 1 1 84 84 ILE N N 84 115.968 115.968 117.965 -1.997 25573 2647 1 5 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.760 -0.226 25573 2648 1 5 . 1 1 84 84 ILE CA C 84 64.377 64.377 63.379 0.998 25573 2649 1 5 . 1 1 84 84 ILE CB C 84 35.417 35.417 36.611 -1.194 25573 2650 1 5 . 1 1 84 84 ILE H H 84 8.437 8.437 7.859 0.578 25573 2651 1 5 . 1 1 85 85 VAL N N 85 117.106 117.106 119.839 -2.733 25573 2652 1 5 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.612 0.433 25573 2653 1 5 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.332 -11.407 25573 2654 1 5 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.191 -2.006 25573 2655 1 5 . 1 1 85 85 VAL H H 85 7.835 7.835 7.993 -0.158 25573 2656 1 5 . 1 1 86 86 THR N N 86 116.673 116.673 115.381 1.292 25573 2657 1 5 . 1 1 86 86 THR HA H 86 4.181 4.181 3.984 0.197 25573 2658 1 5 . 1 1 86 86 THR CA C 86 59.627 59.627 66.083 -6.456 25573 2659 1 5 . 1 1 86 86 THR CB C 86 65.856 65.856 68.247 -2.391 25573 2660 1 5 . 1 1 86 86 THR H H 86 8.254 8.254 8.477 -0.223 25573 2661 1 5 . 1 1 87 87 LEU N N 87 121.447 121.447 121.779 -0.332 25573 2662 1 5 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.022 0.560 25573 2663 1 5 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.898 -1.042 25573 2664 1 5 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.412 -9.587 25573 2665 1 5 . 1 1 87 87 LEU H H 87 7.913 7.913 7.890 0.023 25573 2666 1 5 . 1 1 88 88 LYS N N 88 119.505 119.505 119.927 -0.422 25573 2667 1 5 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.783 0.358 25573 2668 1 5 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.579 -3.509 25573 2669 1 5 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.169 -2.282 25573 2670 1 5 . 1 1 88 88 LYS H H 88 7.970 7.970 7.626 0.344 25573 2671 1 5 . 1 1 89 89 VAL N N 89 119.366 119.366 117.926 1.440 25573 2672 1 5 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.656 0.164 25573 2673 1 5 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.481 -9.525 25573 2674 1 5 . 1 1 89 89 VAL H H 89 8.082 8.082 7.968 0.114 25573 2675 1 5 . 1 1 90 90 PHE N N 90 119.366 119.366 121.232 -1.866 25573 2676 1 5 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.141 0.283 25573 2677 1 5 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.718 -3.567 25573 2678 1 5 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.214 -2.583 25573 2679 1 5 . 1 1 90 90 PHE H H 90 8.104 8.104 8.509 -0.405 25573 2680 1 5 . 1 1 91 91 ALA N N 91 118.916 118.916 121.958 -3.042 25573 2681 1 5 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.703 0.813 25573 2682 1 5 . 1 1 91 91 ALA CA C 91 54.412 54.412 55.055 -0.643 25573 2683 1 5 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.227 -2.337 25573 2684 1 5 . 1 1 91 91 ALA H H 91 8.187 8.187 7.558 0.629 25573 2685 1 5 . 1 1 92 92 VAL N N 92 113.741 113.741 119.062 -5.321 25573 2686 1 5 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.638 -0.051 25573 2687 1 5 . 1 1 92 92 VAL CA C 92 63.579 63.579 67.199 -3.620 25573 2688 1 5 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.915 -1.123 25573 2689 1 5 . 1 1 92 92 VAL H H 92 8.196 8.196 8.161 0.035 25573 2690 1 5 . 1 1 93 93 ALA N N 93 119.366 119.366 120.848 -1.482 25573 2691 1 5 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.201 0.493 25573 2692 1 5 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.898 -4.617 25573 2693 1 5 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.077 -1.362 25573 2694 1 5 . 1 1 93 93 ALA H H 93 8.564 8.564 8.197 0.367 25573 2695 1 5 . 1 1 94 94 GLY N N 94 104.958 104.958 106.256 -1.298 25573 2696 1 5 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.661 -1.737 25573 2697 1 5 . 1 1 94 94 GLY H H 94 6.940 6.940 7.537 -0.597 25573 2698 1 5 . 1 1 95 95 LEU N N 95 120.679 120.679 121.708 -1.029 25573 2699 1 5 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.989 0.016 25573 2700 1 5 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.235 -2.831 25573 2701 1 5 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.788 -3.563 25573 2702 1 5 . 1 1 95 95 LEU H H 95 7.724 7.724 7.558 0.166 25573 2703 1 5 . 1 1 96 96 LEU N N 96 115.261 115.261 117.146 -1.885 25573 2704 1 5 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.282 -0.007 25573 2705 1 5 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.618 -2.348 25573 2706 1 5 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.182 -3.496 25573 2707 1 5 . 1 1 96 96 LEU H H 96 7.723 7.723 7.716 0.007 25573 2708 1 5 . 1 1 97 97 ASN N N 97 112.672 112.672 115.043 -2.371 25573 2709 1 5 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.466 -0.225 25573 2710 1 5 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.331 -3.131 25573 2711 1 5 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.396 -2.951 25573 2712 1 5 . 1 1 97 97 ASN H H 97 6.694 6.694 7.504 -0.810 25573 2713 1 5 . 1 1 98 98 MET N N 98 115.968 115.968 115.808 0.160 25573 2714 1 5 . 1 1 98 98 MET HA H 98 4.614 4.614 4.366 0.248 25573 2715 1 5 . 1 1 98 98 MET CA C 98 51.685 51.685 56.156 -4.471 25573 2716 1 5 . 1 1 98 98 MET CB C 98 29.808 29.808 33.432 -3.624 25573 2717 1 5 . 1 1 98 98 MET H H 98 8.168 8.168 7.741 0.427 25573 2718 1 5 . 1 1 99 99 THR N N 99 118.683 118.683 110.106 8.577 25573 2719 1 5 . 1 1 99 99 THR HA H 99 4.184 4.184 4.505 -0.321 25573 2720 1 5 . 1 1 99 99 THR CA C 99 59.813 59.813 60.664 -0.851 25573 2721 1 5 . 1 1 99 99 THR CB C 99 65.438 65.438 68.569 -3.131 25573 2722 1 5 . 1 1 99 99 THR H H 99 8.562 8.562 8.218 0.344 25573 2723 1 5 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.105 0.014 25573 2724 1 5 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.472 -5.770 25573 2725 1 5 . 1 1 100 100 VAL H H 100 8.392 8.392 7.724 0.668 25573 2726 1 5 . 1 1 101 101 SER N N 101 121.736 121.736 120.074 1.662 25573 2727 1 5 . 1 1 101 101 SER HA H 101 4.645 4.645 4.713 -0.068 25573 2728 1 5 . 1 1 101 101 SER CA C 101 56.852 56.852 58.471 -1.619 25573 2729 1 5 . 1 1 101 101 SER CB C 101 61.739 61.739 63.084 -1.345 25573 2730 1 5 . 1 1 101 101 SER H H 101 8.079 8.079 8.830 -0.751 25573 2731 1 5 . 1 1 102 102 THR N N 102 110.147 110.147 109.351 0.796 25573 2732 1 5 . 1 1 102 102 THR HA H 102 5.450 5.450 4.776 0.674 25573 2733 1 5 . 1 1 102 102 THR CA C 102 56.522 56.522 59.904 -3.382 25573 2734 1 5 . 1 1 102 102 THR CB C 102 71.007 71.007 71.322 -0.315 25573 2735 1 5 . 1 1 102 102 THR H H 102 7.276 7.276 7.267 0.009 25573 2736 1 5 . 1 1 103 103 ALA N N 103 124.013 124.013 128.416 -4.403 25573 2737 1 5 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.058 -0.104 25573 2738 1 5 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.400 -3.122 25573 2739 1 5 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.735 -3.051 25573 2740 1 5 . 1 1 103 103 ALA H H 103 8.433 8.433 8.540 -0.107 25573 2741 1 5 . 1 1 104 104 ALA N N 104 119.649 119.649 120.289 -0.640 25573 2742 1 5 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.053 0.233 25573 2743 1 5 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.532 -2.230 25573 2744 1 5 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.249 -1.729 25573 2745 1 5 . 1 1 104 104 ALA H H 104 8.474 8.474 8.280 0.194 25573 2746 1 5 . 1 1 105 105 ALA N N 105 120.587 120.587 120.972 -0.385 25573 2747 1 5 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.073 0.191 25573 2748 1 5 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.755 -2.557 25573 2749 1 5 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.343 -2.598 25573 2750 1 5 . 1 1 105 105 ALA H H 105 8.050 8.050 7.730 0.320 25573 2751 1 5 . 1 1 106 106 ALA N N 106 121.752 121.752 121.374 0.378 25573 2752 1 5 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.942 -0.675 25573 2753 1 5 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.346 -3.835 25573 2754 1 5 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.141 -2.093 25573 2755 1 5 . 1 1 106 106 ALA H H 106 8.071 8.071 7.846 0.225 25573 2756 1 5 . 1 1 107 107 GLU N N 107 119.133 119.133 119.186 -0.053 25573 2757 1 5 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.951 -0.092 25573 2758 1 5 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.674 -2.339 25573 2759 1 5 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.414 -2.305 25573 2760 1 5 . 1 1 107 107 GLU H H 107 8.711 8.711 7.976 0.735 25573 2761 1 5 . 1 1 108 108 ASN N N 108 118.306 118.306 118.500 -0.194 25573 2762 1 5 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.467 0.134 25573 2763 1 5 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.614 -2.643 25573 2764 1 5 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.489 -3.037 25573 2765 1 5 . 1 1 108 108 ASN H H 108 8.045 8.045 8.137 -0.092 25573 2766 1 5 . 1 1 109 109 MET N N 109 120.038 120.038 120.124 -0.086 25573 2767 1 5 . 1 1 109 109 MET HA H 109 4.305 4.305 4.076 0.229 25573 2768 1 5 . 1 1 109 109 MET CA C 109 55.602 55.602 59.339 -3.737 25573 2769 1 5 . 1 1 109 109 MET CB C 109 29.771 29.771 32.595 -2.824 25573 2770 1 5 . 1 1 109 109 MET H H 109 8.401 8.401 7.992 0.409 25573 2771 1 5 . 1 1 110 110 TYR N N 110 121.616 121.616 119.711 1.905 25573 2772 1 5 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.026 -0.363 25573 2773 1 5 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.581 -3.656 25573 2774 1 5 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.524 -2.598 25573 2775 1 5 . 1 1 110 110 TYR H H 110 8.651 8.651 8.273 0.378 25573 2776 1 5 . 1 1 111 111 SER N N 111 110.621 110.621 113.249 -2.628 25573 2777 1 5 . 1 1 111 111 SER HA H 111 4.540 4.540 4.292 0.248 25573 2778 1 5 . 1 1 111 111 SER CA C 111 58.395 58.395 60.922 -2.527 25573 2779 1 5 . 1 1 111 111 SER CB C 111 60.600 60.600 63.140 -2.540 25573 2780 1 5 . 1 1 111 111 SER H H 111 7.394 7.394 8.093 -0.699 25573 2781 1 5 . 1 1 112 112 GLN N N 112 125.643 125.643 121.876 3.767 25573 2782 1 5 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.061 -0.003 25573 2783 1 5 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.351 -2.268 25573 2784 1 5 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.723 -3.078 25573 2785 1 5 . 1 1 112 112 GLN H H 112 8.774 8.774 8.398 0.376 25573 2786 1 5 . 1 1 113 113 MET N N 113 114.866 114.866 116.941 -2.075 25573 2787 1 5 . 1 1 113 113 MET HA H 113 4.275 4.275 4.339 -0.064 25573 2788 1 5 . 1 1 113 113 MET CA C 113 53.246 53.246 56.262 -3.016 25573 2789 1 5 . 1 1 113 113 MET CB C 113 31.365 31.365 33.592 -2.227 25573 2790 1 5 . 1 1 113 113 MET H H 113 8.070 8.070 8.159 -0.089 25573 2791 1 5 . 1 1 114 114 GLY N N 114 107.252 107.252 105.621 1.631 25573 2792 1 5 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.025 -2.065 25573 2793 1 5 . 1 1 114 114 GLY H H 114 8.012 8.012 7.640 0.372 25573 2794 1 5 . 1 1 115 115 LEU N N 115 114.939 114.939 118.857 -3.918 25573 2795 1 5 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.323 -0.448 25573 2796 1 5 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.883 -1.674 25573 2797 1 5 . 1 1 115 115 LEU CB C 115 35.458 35.458 42.078 -6.620 25573 2798 1 5 . 1 1 115 115 LEU H H 115 7.447 7.447 7.809 -0.362 25573 2799 1 5 . 1 1 116 116 ASP N N 116 116.423 116.423 117.273 -0.850 25573 2800 1 5 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.436 0.234 25573 2801 1 5 . 1 1 116 116 ASP CA C 116 52.303 52.303 55.889 -3.586 25573 2802 1 5 . 1 1 116 116 ASP CB C 116 37.319 37.319 41.033 -3.714 25573 2803 1 5 . 1 1 116 116 ASP H H 116 8.518 8.518 7.814 0.704 25573 2804 1 5 . 1 1 117 117 THR N N 117 113.582 113.582 112.702 0.880 25573 2805 1 5 . 1 1 117 117 THR HA H 117 4.194 4.194 3.987 0.207 25573 2806 1 5 . 1 1 117 117 THR CA C 117 58.925 58.925 63.107 -4.182 25573 2807 1 5 . 1 1 117 117 THR CB C 117 67.320 67.320 68.307 -0.987 25573 2808 1 5 . 1 1 117 117 THR H H 117 7.240 7.240 8.513 -1.273 25573 2809 1 5 . 1 1 118 118 ARG N N 118 126.068 126.068 124.102 1.966 25573 2810 1 5 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.740 -0.174 25573 2811 1 5 . 1 1 118 118 ARG CA C 118 52.343 52.343 53.456 -1.113 25573 2812 1 5 . 1 1 118 118 ARG CB C 118 33.708 33.708 30.756 2.952 25573 2813 1 5 . 1 1 118 118 ARG H H 118 8.711 8.711 8.246 0.465 25573 2814 1 5 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.642 -2.564 25573 2815 1 5 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.954 -2.911 25573 2816 1 5 . 1 1 120 120 SER N N 120 116.251 116.251 115.023 1.228 25573 2817 1 5 . 1 1 120 120 SER HA H 120 4.385 4.385 4.549 -0.164 25573 2818 1 5 . 1 1 120 120 SER CA C 120 55.352 55.352 58.928 -3.576 25573 2819 1 5 . 1 1 120 120 SER CB C 120 61.037 61.037 63.586 -2.549 25573 2820 1 5 . 1 1 120 120 SER H H 120 8.385 8.385 8.433 -0.048 25573 2821 1 5 . 1 1 121 121 MET N N 121 123.171 123.171 126.437 -3.266 25573 2822 1 5 . 1 1 121 121 MET HA H 121 4.289 4.289 4.596 -0.307 25573 2823 1 5 . 1 1 121 121 MET CA C 121 53.282 53.282 56.312 -3.030 25573 2824 1 5 . 1 1 121 121 MET CB C 121 30.755 30.755 32.834 -2.079 25573 2825 1 5 . 1 1 121 121 MET H H 121 8.297 8.297 8.419 -0.122 25573 2826 1 5 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.439 -0.181 25573 2827 1 5 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.024 -2.355 25573 2828 1 5 . 1 1 123 123 GLU N N 123 122.135 122.135 122.130 0.005 25573 2829 1 5 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.771 -8.868 25573 2830 1 5 . 1 1 123 123 GLU CB C 123 30.404 30.404 29.779 0.625 25573 2831 1 5 . 1 1 123 123 GLU H H 123 8.505 8.505 8.588 -0.083 25573 2832 1 5 . 1 1 124 124 ALA N N 124 125.340 125.340 126.362 -1.022 25573 2833 1 5 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.817 -0.486 25573 2834 1 5 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.833 -2.000 25573 2835 1 5 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.731 -4.066 25573 2836 1 5 . 1 1 124 124 ALA H H 124 8.422 8.422 8.364 0.058 25573 2837 1 5 . 1 1 125 125 GLY N N 125 108.426 108.426 106.498 1.928 25573 2838 1 5 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.443 -2.702 25573 2839 1 5 . 1 1 125 125 GLY H H 125 8.401 8.401 10.082 -1.681 25573 2840 1 5 . 1 1 126 126 GLY N N 126 109.792 109.792 108.494 1.298 25573 2841 1 5 . 1 1 126 126 GLY CA C 126 42.247 42.247 45.008 -2.761 25573 2842 1 5 . 1 1 126 126 GLY H H 126 8.515 8.515 8.030 0.485 25573 2843 1 5 . 1 1 127 127 LYS N N 127 120.366 120.366 122.364 -1.998 25573 2844 1 5 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.685 -0.364 25573 2845 1 5 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.083 -2.539 25573 2846 1 5 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.419 -2.067 25573 2847 1 5 . 1 1 127 127 LYS H H 127 8.244 8.244 8.177 0.067 25573 2848 1 5 . 1 1 128 128 GLU N N 128 122.270 122.270 124.441 -2.171 25573 2849 1 5 . 1 1 128 128 GLU CA C 128 56.044 56.044 55.910 0.134 25573 2850 1 5 . 1 1 128 128 GLU H H 128 8.559 8.559 8.515 0.044 25573 2851 1 5 . 1 1 129 129 GLU N N 129 122.282 122.282 121.280 1.002 25573 2852 1 5 . 1 1 129 129 GLU CA C 129 56.536 56.536 55.672 0.864 25573 2853 1 5 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.816 -0.627 25573 2854 1 5 . 1 1 129 129 GLU H H 129 8.027 8.027 8.683 -0.656 25573 2855 1 5 . 1 1 130 130 GLY N N 130 110.258 110.258 110.081 0.177 25573 2856 1 5 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.546 -2.885 25573 2857 1 5 . 1 1 130 130 GLY H H 130 10.190 10.190 8.447 1.743 25573 2858 1 5 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.356 0.023 25573 2859 1 5 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.669 -3.200 25573 2860 1 5 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.120 -2.889 25573 2861 1 5 . 1 1 133 133 GLN N N 133 119.932 119.932 117.134 2.798 25573 2862 1 5 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.030 0.289 25573 2863 1 5 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.918 -2.669 25573 2864 1 5 . 1 1 133 133 GLN CB C 133 29.655 29.655 27.736 1.919 25573 2865 1 5 . 1 1 133 133 GLN H H 133 8.478 8.478 8.247 0.231 25573 2866 1 5 . 1 1 134 134 ALA N N 134 124.828 124.828 123.617 1.211 25573 2867 1 5 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.779 -0.530 25573 2868 1 5 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.154 -2.462 25573 2869 1 5 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.982 -3.958 25573 2870 1 5 . 1 1 134 134 ALA H H 134 8.263 8.263 8.360 -0.097 25573 2871 1 6 . 1 1 3 3 ASN N N 3 119.366 119.366 120.114 -0.748 25573 2872 1 6 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.971 -0.388 25573 2873 1 6 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.135 -1.744 25573 2874 1 6 . 1 1 3 3 ASN CB C 3 35.712 35.712 40.503 -4.791 25573 2875 1 6 . 1 1 3 3 ASN H H 3 8.596 8.596 8.347 0.249 25573 2876 1 6 . 1 1 4 4 GLY N N 4 112.829 112.829 109.587 3.242 25573 2877 1 6 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.911 -2.209 25573 2878 1 6 . 1 1 4 4 GLY H H 4 8.073 8.073 8.465 -0.392 25573 2879 1 6 . 1 1 5 5 ALA N N 5 123.630 123.630 124.376 -0.746 25573 2880 1 6 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.728 -0.325 25573 2881 1 6 . 1 1 5 5 ALA CA C 5 49.640 49.640 51.621 -1.981 25573 2882 1 6 . 1 1 5 5 ALA CB C 5 16.414 16.414 21.218 -4.804 25573 2883 1 6 . 1 1 5 5 ALA H H 5 8.008 8.008 7.585 0.423 25573 2884 1 6 . 1 1 6 6 SER N N 6 114.866 114.866 117.455 -2.589 25573 2885 1 6 . 1 1 6 6 SER HA H 6 4.270 4.270 4.670 -0.400 25573 2886 1 6 . 1 1 6 6 SER CA C 6 56.023 56.023 58.078 -2.055 25573 2887 1 6 . 1 1 6 6 SER CB C 6 60.936 60.936 63.577 -2.641 25573 2888 1 6 . 1 1 6 6 SER H H 6 8.293 8.293 8.747 -0.454 25573 2889 1 6 . 1 1 7 7 ARG N N 7 119.250 119.250 123.015 -3.765 25573 2890 1 6 . 1 1 7 7 ARG CA C 7 59.506 59.506 60.078 -0.572 25573 2891 1 6 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.265 0.158 25573 2892 1 6 . 1 1 7 7 ARG H H 7 8.305 8.305 8.239 0.066 25573 2893 1 6 . 1 1 8 8 ASP N N 8 119.662 119.662 118.595 1.067 25573 2894 1 6 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.379 -0.226 25573 2895 1 6 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.953 -2.399 25573 2896 1 6 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.587 -14.086 25573 2897 1 6 . 1 1 8 8 ASP H H 8 7.915 7.915 8.670 -0.755 25573 2898 1 6 . 1 1 9 9 TRP N N 9 121.861 121.861 120.712 1.149 25573 2899 1 6 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.356 -0.240 25573 2900 1 6 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.109 -4.147 25573 2901 1 6 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.702 -1.680 25573 2902 1 6 . 1 1 9 9 TRP H H 9 8.222 8.222 7.933 0.289 25573 2903 1 6 . 1 1 10 10 LYS N N 10 118.681 118.681 119.334 -0.653 25573 2904 1 6 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.850 0.432 25573 2905 1 6 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.742 -0.843 25573 2906 1 6 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.481 -4.442 25573 2907 1 6 . 1 1 10 10 LYS H H 10 8.003 8.003 8.062 -0.059 25573 2908 1 6 . 1 1 11 11 MET N N 11 119.366 119.366 118.306 1.060 25573 2909 1 6 . 1 1 11 11 MET HA H 11 4.559 4.559 4.162 0.397 25573 2910 1 6 . 1 1 11 11 MET CA C 11 53.485 53.485 58.743 -5.258 25573 2911 1 6 . 1 1 11 11 MET H H 11 8.041 8.041 8.230 -0.189 25573 2912 1 6 . 1 1 12 12 ALA N N 12 122.650 122.650 123.114 -0.464 25573 2913 1 6 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.044 0.165 25573 2914 1 6 . 1 1 12 12 ALA CA C 12 59.799 59.799 55.029 4.770 25573 2915 1 6 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.436 -0.664 25573 2916 1 6 . 1 1 12 12 ALA H H 12 7.904 7.904 8.390 -0.486 25573 2917 1 6 . 1 1 13 13 ILE N N 13 117.322 117.322 117.276 0.046 25573 2918 1 6 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.540 2.038 25573 2919 1 6 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.675 -7.772 25573 2920 1 6 . 1 1 13 13 ILE H H 13 8.380 8.380 7.785 0.595 25573 2921 1 6 . 1 1 15 15 ARG CA C 15 59.916 59.916 57.821 2.095 25573 2922 1 6 . 1 1 16 16 CYS N N 16 116.263 116.263 120.903 -4.640 25573 2923 1 6 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.160 -0.115 25573 2924 1 6 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.467 -2.683 25573 2925 1 6 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.731 2.079 25573 2926 1 6 . 1 1 16 16 CYS H H 16 7.799 7.799 8.088 -0.289 25573 2927 1 6 . 1 1 17 17 SER N N 17 114.606 114.606 115.998 -1.392 25573 2928 1 6 . 1 1 17 17 SER HA H 17 4.952 4.952 4.473 0.479 25573 2929 1 6 . 1 1 17 17 SER CA C 17 58.171 58.171 61.734 -3.563 25573 2930 1 6 . 1 1 17 17 SER CB C 17 60.740 60.740 63.315 -2.575 25573 2931 1 6 . 1 1 17 17 SER H H 17 7.830 7.830 8.288 -0.458 25573 2932 1 6 . 1 1 18 18 ASN N N 18 116.143 116.143 118.712 -2.569 25573 2933 1 6 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.815 0.193 25573 2934 1 6 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.783 -2.308 25573 2935 1 6 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.634 -1.345 25573 2936 1 6 . 1 1 18 18 ASN H H 18 7.557 7.557 7.845 -0.288 25573 2937 1 6 . 1 1 19 19 VAL N N 19 121.616 121.616 119.726 1.890 25573 2938 1 6 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.169 -0.670 25573 2939 1 6 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.716 -0.986 25573 2940 1 6 . 1 1 19 19 VAL CB C 19 29.042 29.042 33.569 -4.527 25573 2941 1 6 . 1 1 19 19 VAL H H 19 7.919 7.919 7.754 0.165 25573 2942 1 6 . 1 1 20 20 ALA N N 20 129.139 129.139 129.291 -0.152 25573 2943 1 6 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.908 -0.113 25573 2944 1 6 . 1 1 20 20 ALA C C 20 169.500 169.500 177.472 -7.972 25573 2945 1 6 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.417 -0.002 25573 2946 1 6 . 1 1 20 20 ALA CB C 20 17.716 17.716 22.060 -4.344 25573 2947 1 6 . 1 1 20 20 ALA H H 20 8.150 8.150 8.009 0.141 25573 2948 1 6 . 1 1 21 21 VAL N N 21 120.390 120.390 120.456 -0.066 25573 2949 1 6 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.744 0.023 25573 2950 1 6 . 1 1 21 21 VAL CA C 21 63.578 63.578 66.670 -3.092 25573 2951 1 6 . 1 1 21 21 VAL CB C 21 29.746 29.746 32.063 -2.317 25573 2952 1 6 . 1 1 21 21 VAL H H 21 8.319 8.319 8.027 0.292 25573 2953 1 6 . 1 1 22 22 GLY N N 22 108.884 108.884 103.106 5.778 25573 2954 1 6 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.433 -1.465 25573 2955 1 6 . 1 1 22 22 GLY H H 22 8.221 8.221 7.382 0.839 25573 2956 1 6 . 1 1 23 23 VAL N N 23 117.439 117.439 118.642 -1.203 25573 2957 1 6 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.880 0.358 25573 2958 1 6 . 1 1 23 23 VAL CA C 23 59.088 59.088 64.266 -5.178 25573 2959 1 6 . 1 1 23 23 VAL CB C 23 30.434 30.434 31.802 -1.368 25573 2960 1 6 . 1 1 23 23 VAL H H 23 8.003 8.003 8.791 -0.788 25573 2961 1 6 . 1 1 24 24 GLY N N 24 112.616 112.616 103.487 9.129 25573 2962 1 6 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.483 -1.704 25573 2963 1 6 . 1 1 24 24 GLY H H 24 8.716 8.716 7.606 1.110 25573 2964 1 6 . 1 1 25 25 GLY N N 25 108.753 108.753 109.806 -1.053 25573 2965 1 6 . 1 1 25 25 GLY CA C 25 42.000 42.000 46.336 -4.336 25573 2966 1 6 . 1 1 25 25 GLY H H 25 8.286 8.286 8.159 0.127 25573 2967 1 6 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.639 -0.263 25573 2968 1 6 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.673 -2.162 25573 2969 1 6 . 1 1 27 27 SER HA H 27 4.922 4.922 4.807 0.115 25573 2970 1 6 . 1 1 27 27 SER CA C 27 56.876 56.876 57.195 -0.319 25573 2971 1 6 . 1 1 27 27 SER CB C 27 64.578 64.578 65.304 -0.726 25573 2972 1 6 . 1 1 27 27 SER H H 27 7.831 7.831 7.995 -0.164 25573 2973 1 6 . 1 1 28 28 LYS N N 28 122.919 122.919 120.464 2.455 25573 2974 1 6 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.557 -0.373 25573 2975 1 6 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.506 1.033 25573 2976 1 6 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.022 -0.656 25573 2977 1 6 . 1 1 28 28 LYS H H 28 8.589 8.589 8.403 0.186 25573 2978 1 6 . 1 1 29 29 LYS N N 29 120.917 120.917 118.365 2.552 25573 2979 1 6 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.688 -0.305 25573 2980 1 6 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.610 -1.075 25573 2981 1 6 . 1 1 29 29 LYS CB C 29 32.076 32.076 35.305 -3.229 25573 2982 1 6 . 1 1 29 29 LYS H H 29 8.471 8.471 8.027 0.444 25573 2983 1 6 . 1 1 30 30 PHE N N 30 119.366 119.366 118.074 1.292 25573 2984 1 6 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.681 -0.823 25573 2985 1 6 . 1 1 30 30 PHE CA C 30 58.172 58.172 55.999 2.173 25573 2986 1 6 . 1 1 30 30 PHE CB C 30 38.242 38.242 41.359 -3.117 25573 2987 1 6 . 1 1 30 30 PHE H H 30 8.000 8.000 7.924 0.076 25573 2988 1 6 . 1 1 31 31 GLY N N 31 106.991 106.991 105.926 1.065 25573 2989 1 6 . 1 1 31 31 GLY CA C 31 40.936 40.936 43.742 -2.806 25573 2990 1 6 . 1 1 31 31 GLY H H 31 8.404 8.404 7.871 0.533 25573 2991 1 6 . 1 1 32 32 GLU N N 32 120.491 120.491 120.297 0.194 25573 2992 1 6 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.973 0.139 25573 2993 1 6 . 1 1 32 32 GLU CA C 32 58.171 58.171 60.525 -2.354 25573 2994 1 6 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.456 -2.150 25573 2995 1 6 . 1 1 32 32 GLU H H 32 9.168 9.168 8.793 0.375 25573 2996 1 6 . 1 1 33 33 GLY N N 33 109.241 109.241 106.985 2.256 25573 2997 1 6 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.973 -3.382 25573 2998 1 6 . 1 1 33 33 GLY H H 33 8.613 8.613 8.446 0.167 25573 2999 1 6 . 1 1 34 34 ASN N N 34 118.241 118.241 120.341 -2.100 25573 3000 1 6 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.360 -0.322 25573 3001 1 6 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.547 -1.083 25573 3002 1 6 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.019 -1.625 25573 3003 1 6 . 1 1 34 34 ASN H H 34 7.897 7.897 7.562 0.335 25573 3004 1 6 . 1 1 35 35 PHE N N 35 117.116 117.116 119.007 -1.891 25573 3005 1 6 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.154 -0.066 25573 3006 1 6 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.448 -1.136 25573 3007 1 6 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.515 -1.687 25573 3008 1 6 . 1 1 35 35 PHE H H 35 7.180 7.180 7.366 -0.186 25573 3009 1 6 . 1 1 36 36 ARG N N 36 117.825 117.825 118.399 -0.574 25573 3010 1 6 . 1 1 36 36 ARG HA H 36 3.572 3.572 3.994 -0.422 25573 3011 1 6 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.702 -1.460 25573 3012 1 6 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.776 4.221 25573 3013 1 6 . 1 1 36 36 ARG H H 36 8.278 8.278 8.028 0.250 25573 3014 1 6 . 1 1 37 37 TRP N N 37 118.845 118.845 121.815 -2.970 25573 3015 1 6 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.211 -0.077 25573 3016 1 6 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.376 -2.476 25573 3017 1 6 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.184 -1.735 25573 3018 1 6 . 1 1 37 37 TRP H H 37 8.106 8.106 8.245 -0.139 25573 3019 1 6 . 1 1 38 38 ALA N N 38 119.609 119.609 122.480 -2.871 25573 3020 1 6 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.570 0.859 25573 3021 1 6 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.993 -2.099 25573 3022 1 6 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.593 -2.194 25573 3023 1 6 . 1 1 38 38 ALA H H 38 8.332 8.332 8.096 0.236 25573 3024 1 6 . 1 1 39 39 ILE N N 39 114.866 114.866 119.374 -4.508 25573 3025 1 6 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.583 0.781 25573 3026 1 6 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.777 -10.193 25573 3027 1 6 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.611 -6.119 25573 3028 1 6 . 1 1 39 39 ILE H H 39 8.161 8.161 8.627 -0.466 25573 3029 1 6 . 1 1 40 40 ARG N N 40 120.240 120.240 119.452 0.788 25573 3030 1 6 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.842 0.224 25573 3031 1 6 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.291 -2.652 25573 3032 1 6 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.000 -0.191 25573 3033 1 6 . 1 1 40 40 ARG H H 40 8.446 8.446 8.263 0.183 25573 3034 1 6 . 1 1 41 41 MET HA H 41 4.305 4.305 3.906 0.399 25573 3035 1 6 . 1 1 41 41 MET CA C 41 53.585 53.585 58.469 -4.884 25573 3036 1 6 . 1 1 41 41 MET CB C 41 29.902 29.902 32.006 -2.104 25573 3037 1 6 . 1 1 42 42 ALA N N 42 122.782 122.782 120.683 2.099 25573 3038 1 6 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.915 0.633 25573 3039 1 6 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.172 -2.896 25573 3040 1 6 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.204 -1.344 25573 3041 1 6 . 1 1 42 42 ALA H H 42 8.556 8.556 7.847 0.709 25573 3042 1 6 . 1 1 43 43 ASN N N 43 119.366 119.366 117.077 2.289 25573 3043 1 6 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.461 0.233 25573 3044 1 6 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.374 -6.037 25573 3045 1 6 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.566 -2.875 25573 3046 1 6 . 1 1 43 43 ASN H H 43 8.613 8.613 8.247 0.366 25573 3047 1 6 . 1 1 44 44 VAL N N 44 118.466 118.466 120.081 -1.615 25573 3048 1 6 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.696 0.203 25573 3049 1 6 . 1 1 44 44 VAL CA C 44 63.094 63.094 66.564 -3.470 25573 3050 1 6 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.801 -2.880 25573 3051 1 6 . 1 1 44 44 VAL H H 44 8.464 8.464 7.798 0.666 25573 3052 1 6 . 1 1 45 45 SER N N 45 113.763 113.763 115.260 -1.497 25573 3053 1 6 . 1 1 45 45 SER HA H 45 4.328 4.328 4.105 0.223 25573 3054 1 6 . 1 1 45 45 SER CA C 45 58.553 58.553 61.617 -3.064 25573 3055 1 6 . 1 1 45 45 SER CB C 45 61.343 61.343 63.627 -2.284 25573 3056 1 6 . 1 1 45 45 SER H H 45 7.963 7.963 8.000 -0.037 25573 3057 1 6 . 1 1 46 46 THR N N 46 106.729 106.729 109.135 -2.406 25573 3058 1 6 . 1 1 46 46 THR HA H 46 4.602 4.602 4.511 0.091 25573 3059 1 6 . 1 1 46 46 THR CA C 46 58.026 58.026 60.768 -2.742 25573 3060 1 6 . 1 1 46 46 THR CB C 46 67.285 67.285 69.101 -1.816 25573 3061 1 6 . 1 1 46 46 THR H H 46 7.560 7.560 7.856 -0.296 25573 3062 1 6 . 1 1 47 47 GLY N N 47 109.384 109.384 110.360 -0.976 25573 3063 1 6 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.833 -2.024 25573 3064 1 6 . 1 1 47 47 GLY H H 47 7.539 7.539 7.902 -0.363 25573 3065 1 6 . 1 1 48 48 ARG N N 48 120.563 120.563 120.400 0.163 25573 3066 1 6 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.917 0.436 25573 3067 1 6 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.018 -4.679 25573 3068 1 6 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.239 0.521 25573 3069 1 6 . 1 1 48 48 ARG H H 48 8.220 8.220 7.848 0.372 25573 3070 1 6 . 1 1 49 49 GLU N N 49 122.874 122.874 116.882 5.992 25573 3071 1 6 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.528 -0.206 25573 3072 1 6 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.704 -0.570 25573 3073 1 6 . 1 1 49 49 GLU CB C 49 29.104 29.104 31.930 -2.826 25573 3074 1 6 . 1 1 49 49 GLU H H 49 8.661 8.661 7.893 0.768 25573 3075 1 6 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.928 1.966 25573 3076 1 6 . 1 1 51 51 GLY N N 51 102.859 102.859 107.964 -5.105 25573 3077 1 6 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.537 -2.460 25573 3078 1 6 . 1 1 51 51 GLY H H 51 8.368 8.368 8.009 0.359 25573 3079 1 6 . 1 1 52 52 ASP N N 52 120.491 120.491 121.702 -1.211 25573 3080 1 6 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.797 -0.417 25573 3081 1 6 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.866 -2.185 25573 3082 1 6 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.338 -4.537 25573 3083 1 6 . 1 1 52 52 ASP H H 52 7.204 7.204 7.872 -0.668 25573 3084 1 6 . 1 1 53 53 ILE N N 53 127.662 127.662 120.763 6.899 25573 3085 1 6 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.551 -0.021 25573 3086 1 6 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.461 -4.334 25573 3087 1 6 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.227 -2.732 25573 3088 1 6 . 1 1 53 53 ILE H H 53 8.255 8.255 7.893 0.362 25573 3089 1 6 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.519 -0.033 25573 3090 1 6 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.836 -2.717 25573 3091 1 6 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.164 -3.369 25573 3092 1 6 . 1 1 55 55 GLU N N 55 117.116 117.116 123.837 -6.721 25573 3093 1 6 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.531 -0.025 25573 3094 1 6 . 1 1 55 55 GLU CA C 55 54.283 54.283 55.973 -1.690 25573 3095 1 6 . 1 1 55 55 GLU CB C 55 29.682 29.682 28.918 0.764 25573 3096 1 6 . 1 1 55 55 GLU H H 55 8.580 8.580 8.792 -0.212 25573 3097 1 6 . 1 1 56 56 THR N N 56 105.122 105.122 110.071 -4.949 25573 3098 1 6 . 1 1 56 56 THR HA H 56 4.832 4.832 4.542 0.290 25573 3099 1 6 . 1 1 56 56 THR CA C 56 55.381 55.381 60.762 -5.381 25573 3100 1 6 . 1 1 56 56 THR CB C 56 70.771 70.771 71.684 -0.913 25573 3101 1 6 . 1 1 56 56 THR H H 56 7.367 7.367 7.363 0.004 25573 3102 1 6 . 1 1 57 57 LEU N N 57 122.564 122.564 125.616 -3.052 25573 3103 1 6 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.986 0.446 25573 3104 1 6 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.910 -2.501 25573 3105 1 6 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.247 -4.386 25573 3106 1 6 . 1 1 57 57 LEU H H 57 9.222 9.222 8.943 0.279 25573 3107 1 6 . 1 1 58 58 ASP N N 58 119.366 119.366 118.660 0.706 25573 3108 1 6 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.726 0.554 25573 3109 1 6 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.518 -3.161 25573 3110 1 6 . 1 1 58 58 ASP H H 58 8.570 8.570 8.412 0.158 25573 3111 1 6 . 1 1 59 59 GLN N N 59 118.241 118.241 119.630 -1.389 25573 3112 1 6 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.057 -0.025 25573 3113 1 6 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.987 -3.071 25573 3114 1 6 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.814 -2.740 25573 3115 1 6 . 1 1 59 59 GLN H H 59 7.823 7.823 7.707 0.116 25573 3116 1 6 . 1 1 60 60 LEU N N 60 121.691 121.691 121.372 0.319 25573 3117 1 6 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.999 0.080 25573 3118 1 6 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.486 -3.215 25573 3119 1 6 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.940 5.697 25573 3120 1 6 . 1 1 60 60 LEU H H 60 8.187 8.187 8.240 -0.053 25573 3121 1 6 . 1 1 61 61 ARG N N 61 117.960 117.960 119.586 -1.626 25573 3122 1 6 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.090 -0.024 25573 3123 1 6 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.292 -3.110 25573 3124 1 6 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.782 -0.866 25573 3125 1 6 . 1 1 61 61 ARG H H 61 9.133 9.133 8.240 0.893 25573 3126 1 6 . 1 1 62 62 LEU N N 62 118.408 118.408 119.775 -1.367 25573 3127 1 6 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.200 -0.174 25573 3128 1 6 . 1 1 62 62 LEU CA C 62 56.080 56.080 56.995 -0.915 25573 3129 1 6 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.289 -2.925 25573 3130 1 6 . 1 1 62 62 LEU H H 62 7.817 7.817 7.963 -0.146 25573 3131 1 6 . 1 1 63 63 VAL N N 63 119.177 119.177 119.502 -0.325 25573 3132 1 6 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.490 0.047 25573 3133 1 6 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.243 -2.743 25573 3134 1 6 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.602 -2.718 25573 3135 1 6 . 1 1 63 63 VAL H H 63 7.368 7.368 7.754 -0.386 25573 3136 1 6 . 1 1 64 64 ILE N N 64 119.068 119.068 119.966 -0.898 25573 3137 1 6 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.665 -0.125 25573 3138 1 6 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.524 -1.043 25573 3139 1 6 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.766 -3.054 25573 3140 1 6 . 1 1 64 64 ILE H H 64 8.320 8.320 7.876 0.444 25573 3141 1 6 . 1 1 65 65 CYS N N 65 119.131 119.131 119.257 -0.126 25573 3142 1 6 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.078 0.252 25573 3143 1 6 . 1 1 65 65 CYS CA C 65 60.908 60.908 63.026 -2.118 25573 3144 1 6 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.025 -2.133 25573 3145 1 6 . 1 1 65 65 CYS H H 65 9.076 9.076 7.906 1.170 25573 3146 1 6 . 1 1 66 66 ASP N N 66 120.537 120.537 121.176 -0.639 25573 3147 1 6 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.684 -0.372 25573 3148 1 6 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.995 -0.231 25573 3149 1 6 . 1 1 66 66 ASP CB C 66 38.185 38.185 41.156 -2.970 25573 3150 1 6 . 1 1 66 66 ASP H H 66 8.512 8.512 8.460 0.052 25573 3151 1 6 . 1 1 67 67 LEU N N 67 119.364 119.364 120.645 -1.281 25573 3152 1 6 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.905 0.065 25573 3153 1 6 . 1 1 67 67 LEU CA C 67 56.986 56.986 57.998 -1.012 25573 3154 1 6 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.032 -9.286 25573 3155 1 6 . 1 1 67 67 LEU H H 67 8.971 8.971 8.009 0.962 25573 3156 1 6 . 1 1 69 69 GLU HA H 69 4.429 4.429 3.972 0.457 25573 3157 1 6 . 1 1 69 69 GLU CA C 69 55.765 55.765 60.013 -4.248 25573 3158 1 6 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.582 0.219 25573 3159 1 6 . 1 1 70 70 ARG N N 70 122.186 122.186 118.588 3.598 25573 3160 1 6 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.184 0.302 25573 3161 1 6 . 1 1 70 70 ARG CA C 70 52.533 52.533 58.760 -6.227 25573 3162 1 6 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.012 0.329 25573 3163 1 6 . 1 1 70 70 ARG H H 70 8.345 8.345 8.174 0.171 25573 3164 1 6 . 1 1 71 71 ARG N N 71 121.616 121.616 119.171 2.445 25573 3165 1 6 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.105 -1.481 25573 3166 1 6 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.797 -4.618 25573 3167 1 6 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.671 0.336 25573 3168 1 6 . 1 1 71 71 ARG H H 71 8.480 8.480 8.333 0.147 25573 3169 1 6 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.029 0.043 25573 3170 1 6 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.945 -2.969 25573 3171 1 6 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.471 -1.719 25573 3172 1 6 . 1 1 74 74 PHE N N 74 115.001 115.001 116.988 -1.987 25573 3173 1 6 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.329 0.493 25573 3174 1 6 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.577 -4.456 25573 3175 1 6 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.584 -2.998 25573 3176 1 6 . 1 1 74 74 PHE H H 74 8.530 8.530 7.780 0.750 25573 3177 1 6 . 1 1 75 75 GLY N N 75 110.366 110.366 105.162 5.204 25573 3178 1 6 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.829 -2.825 25573 3179 1 6 . 1 1 75 75 GLY H H 75 7.799 7.799 7.646 0.153 25573 3180 1 6 . 1 1 76 76 SER N N 76 113.283 113.283 114.421 -1.138 25573 3181 1 6 . 1 1 76 76 SER HA H 76 4.523 4.523 4.859 -0.336 25573 3182 1 6 . 1 1 76 76 SER CA C 76 54.361 54.361 57.564 -3.203 25573 3183 1 6 . 1 1 76 76 SER CB C 76 61.887 61.887 64.308 -2.421 25573 3184 1 6 . 1 1 76 76 SER H H 76 8.417 8.417 8.432 -0.015 25573 3185 1 6 . 1 1 77 77 SER N N 77 114.950 114.950 119.126 -4.176 25573 3186 1 6 . 1 1 77 77 SER HA H 77 4.535 4.535 4.796 -0.261 25573 3187 1 6 . 1 1 77 77 SER CA C 77 53.833 53.833 56.378 -2.545 25573 3188 1 6 . 1 1 77 77 SER CB C 77 63.488 63.488 65.709 -2.221 25573 3189 1 6 . 1 1 77 77 SER H H 77 8.428 8.428 8.273 0.155 25573 3190 1 6 . 1 1 78 78 LYS N N 78 122.032 122.032 124.879 -2.847 25573 3191 1 6 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.014 0.661 25573 3192 1 6 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.869 -5.742 25573 3193 1 6 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.295 -3.060 25573 3194 1 6 . 1 1 78 78 LYS H H 78 9.044 9.044 8.900 0.144 25573 3195 1 6 . 1 1 79 79 GLU N N 79 118.232 118.232 119.608 -1.376 25573 3196 1 6 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.196 0.096 25573 3197 1 6 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.438 -1.334 25573 3198 1 6 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.644 -2.798 25573 3199 1 6 . 1 1 79 79 GLU H H 79 8.795 8.795 7.964 0.831 25573 3200 1 6 . 1 1 80 80 ILE N N 80 120.491 120.491 120.469 0.022 25573 3201 1 6 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.662 0.067 25573 3202 1 6 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.490 -3.024 25573 3203 1 6 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.796 -1.687 25573 3204 1 6 . 1 1 80 80 ILE H H 80 7.892 7.892 7.832 0.060 25573 3205 1 6 . 1 1 81 81 ASP N N 81 120.491 120.491 120.615 -0.124 25573 3206 1 6 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.362 -0.056 25573 3207 1 6 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.637 -2.263 25573 3208 1 6 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.563 -3.188 25573 3209 1 6 . 1 1 81 81 ASP H H 81 8.424 8.424 8.569 -0.145 25573 3210 1 6 . 1 1 82 82 MET N N 82 118.588 118.588 118.508 0.080 25573 3211 1 6 . 1 1 82 82 MET HA H 82 4.610 4.610 4.096 0.514 25573 3212 1 6 . 1 1 82 82 MET CA C 82 54.472 54.472 58.891 -4.419 25573 3213 1 6 . 1 1 82 82 MET CB C 82 29.557 29.557 32.417 -2.861 25573 3214 1 6 . 1 1 82 82 MET H H 82 8.215 8.215 8.452 -0.237 25573 3215 1 6 . 1 1 83 83 ALA N N 83 127.525 127.525 123.581 3.944 25573 3216 1 6 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.211 -0.112 25573 3217 1 6 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.122 -1.214 25573 3218 1 6 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.289 -3.479 25573 3219 1 6 . 1 1 83 83 ALA H H 83 10.165 10.165 7.763 2.402 25573 3220 1 6 . 1 1 84 84 ILE N N 84 115.968 115.968 118.403 -2.435 25573 3221 1 6 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.625 -0.091 25573 3222 1 6 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.204 -0.827 25573 3223 1 6 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.705 -2.288 25573 3224 1 6 . 1 1 84 84 ILE H H 84 8.437 8.437 7.701 0.736 25573 3225 1 6 . 1 1 85 85 VAL N N 85 117.106 117.106 119.897 -2.791 25573 3226 1 6 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.609 0.436 25573 3227 1 6 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.006 -11.081 25573 3228 1 6 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.944 -1.759 25573 3229 1 6 . 1 1 85 85 VAL H H 85 7.835 7.835 7.875 -0.040 25573 3230 1 6 . 1 1 86 86 THR N N 86 116.673 116.673 114.790 1.883 25573 3231 1 6 . 1 1 86 86 THR HA H 86 4.181 4.181 4.162 0.019 25573 3232 1 6 . 1 1 86 86 THR CA C 86 59.627 59.627 66.690 -7.063 25573 3233 1 6 . 1 1 86 86 THR CB C 86 65.856 65.856 68.836 -2.980 25573 3234 1 6 . 1 1 86 86 THR H H 86 8.254 8.254 7.972 0.282 25573 3235 1 6 . 1 1 87 87 LEU N N 87 121.447 121.447 122.047 -0.600 25573 3236 1 6 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.090 0.492 25573 3237 1 6 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.677 -0.821 25573 3238 1 6 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.771 -9.946 25573 3239 1 6 . 1 1 87 87 LEU H H 87 7.913 7.913 8.018 -0.105 25573 3240 1 6 . 1 1 88 88 LYS N N 88 119.505 119.505 120.143 -0.638 25573 3241 1 6 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.744 0.397 25573 3242 1 6 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.564 -3.494 25573 3243 1 6 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.234 -2.347 25573 3244 1 6 . 1 1 88 88 LYS H H 88 7.970 7.970 7.564 0.406 25573 3245 1 6 . 1 1 89 89 VAL N N 89 119.366 119.366 119.367 -0.001 25573 3246 1 6 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.706 0.114 25573 3247 1 6 . 1 1 89 89 VAL CA C 89 56.956 56.956 65.711 -8.755 25573 3248 1 6 . 1 1 89 89 VAL H H 89 8.082 8.082 7.970 0.112 25573 3249 1 6 . 1 1 90 90 PHE N N 90 119.366 119.366 120.358 -0.992 25573 3250 1 6 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.967 0.457 25573 3251 1 6 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.617 -4.466 25573 3252 1 6 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.240 -2.610 25573 3253 1 6 . 1 1 90 90 PHE H H 90 8.104 8.104 8.586 -0.482 25573 3254 1 6 . 1 1 91 91 ALA N N 91 118.916 118.916 121.803 -2.887 25573 3255 1 6 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.653 0.863 25573 3256 1 6 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.911 -0.499 25573 3257 1 6 . 1 1 91 91 ALA CB C 91 15.890 15.890 17.992 -2.102 25573 3258 1 6 . 1 1 91 91 ALA H H 91 8.187 8.187 7.493 0.694 25573 3259 1 6 . 1 1 92 92 VAL N N 92 113.741 113.741 119.055 -5.314 25573 3260 1 6 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.614 -0.027 25573 3261 1 6 . 1 1 92 92 VAL CA C 92 63.579 63.579 67.171 -3.592 25573 3262 1 6 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.900 -1.108 25573 3263 1 6 . 1 1 92 92 VAL H H 92 8.196 8.196 7.669 0.527 25573 3264 1 6 . 1 1 93 93 ALA N N 93 119.366 119.366 120.800 -1.434 25573 3265 1 6 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.186 0.508 25573 3266 1 6 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.816 -4.535 25573 3267 1 6 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.098 -1.383 25573 3268 1 6 . 1 1 93 93 ALA H H 93 8.564 8.564 8.308 0.256 25573 3269 1 6 . 1 1 94 94 GLY N N 94 104.958 104.958 106.220 -1.262 25573 3270 1 6 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.664 -1.740 25573 3271 1 6 . 1 1 94 94 GLY H H 94 6.940 6.940 7.492 -0.552 25573 3272 1 6 . 1 1 95 95 LEU N N 95 120.679 120.679 121.559 -0.880 25573 3273 1 6 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.991 0.014 25573 3274 1 6 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.259 -2.855 25573 3275 1 6 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.843 -3.618 25573 3276 1 6 . 1 1 95 95 LEU H H 95 7.724 7.724 7.519 0.205 25573 3277 1 6 . 1 1 96 96 LEU N N 96 115.261 115.261 116.756 -1.495 25573 3278 1 6 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.283 -0.008 25573 3279 1 6 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.404 -2.134 25573 3280 1 6 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.246 -3.561 25573 3281 1 6 . 1 1 96 96 LEU H H 96 7.723 7.723 7.751 -0.028 25573 3282 1 6 . 1 1 97 97 ASN N N 97 112.672 112.672 115.531 -2.859 25573 3283 1 6 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.464 -0.223 25573 3284 1 6 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.131 -2.931 25573 3285 1 6 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.632 -3.187 25573 3286 1 6 . 1 1 97 97 ASN H H 97 6.694 6.694 7.484 -0.790 25573 3287 1 6 . 1 1 98 98 MET N N 98 115.968 115.968 116.499 -0.531 25573 3288 1 6 . 1 1 98 98 MET HA H 98 4.614 4.614 4.379 0.235 25573 3289 1 6 . 1 1 98 98 MET CA C 98 51.685 51.685 56.741 -5.056 25573 3290 1 6 . 1 1 98 98 MET CB C 98 29.808 29.808 33.292 -3.485 25573 3291 1 6 . 1 1 98 98 MET H H 98 8.168 8.168 7.742 0.426 25573 3292 1 6 . 1 1 99 99 THR N N 99 118.683 118.683 115.702 2.981 25573 3293 1 6 . 1 1 99 99 THR HA H 99 4.184 4.184 4.534 -0.350 25573 3294 1 6 . 1 1 99 99 THR CA C 99 59.813 59.813 61.323 -1.510 25573 3295 1 6 . 1 1 99 99 THR CB C 99 65.438 65.438 68.001 -2.563 25573 3296 1 6 . 1 1 99 99 THR H H 99 8.562 8.562 8.316 0.246 25573 3297 1 6 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.119 0.000 25573 3298 1 6 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.236 -5.534 25573 3299 1 6 . 1 1 100 100 VAL H H 100 8.392 8.392 7.724 0.668 25573 3300 1 6 . 1 1 101 101 SER N N 101 121.736 121.736 120.086 1.650 25573 3301 1 6 . 1 1 101 101 SER HA H 101 4.645 4.645 4.875 -0.230 25573 3302 1 6 . 1 1 101 101 SER CA C 101 56.852 56.852 58.322 -1.470 25573 3303 1 6 . 1 1 101 101 SER CB C 101 61.739 61.739 63.691 -1.952 25573 3304 1 6 . 1 1 101 101 SER H H 101 8.079 8.079 8.803 -0.724 25573 3305 1 6 . 1 1 102 102 THR N N 102 110.147 110.147 110.229 -0.082 25573 3306 1 6 . 1 1 102 102 THR HA H 102 5.450 5.450 4.921 0.529 25573 3307 1 6 . 1 1 102 102 THR CA C 102 56.522 56.522 60.258 -3.736 25573 3308 1 6 . 1 1 102 102 THR CB C 102 71.007 71.007 71.399 -0.392 25573 3309 1 6 . 1 1 102 102 THR H H 102 7.276 7.276 7.384 -0.108 25573 3310 1 6 . 1 1 103 103 ALA N N 103 124.013 124.013 129.134 -5.121 25573 3311 1 6 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.014 -0.060 25573 3312 1 6 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.550 -3.272 25573 3313 1 6 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.770 -3.086 25573 3314 1 6 . 1 1 103 103 ALA H H 103 8.433 8.433 8.414 0.019 25573 3315 1 6 . 1 1 104 104 ALA N N 104 119.649 119.649 120.761 -1.112 25573 3316 1 6 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.002 0.284 25573 3317 1 6 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.574 -2.272 25573 3318 1 6 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.188 -1.668 25573 3319 1 6 . 1 1 104 104 ALA H H 104 8.474 8.474 8.194 0.280 25573 3320 1 6 . 1 1 105 105 ALA N N 105 120.587 120.587 120.930 -0.343 25573 3321 1 6 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.054 0.210 25573 3322 1 6 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.770 -2.572 25573 3323 1 6 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.302 -2.557 25573 3324 1 6 . 1 1 105 105 ALA H H 105 8.050 8.050 7.743 0.307 25573 3325 1 6 . 1 1 106 106 ALA N N 106 121.752 121.752 121.424 0.328 25573 3326 1 6 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.948 -0.681 25573 3327 1 6 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.409 -3.898 25573 3328 1 6 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.268 -2.220 25573 3329 1 6 . 1 1 106 106 ALA H H 106 8.071 8.071 7.940 0.131 25573 3330 1 6 . 1 1 107 107 GLU N N 107 119.133 119.133 119.353 -0.220 25573 3331 1 6 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.011 -0.152 25573 3332 1 6 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.770 -2.436 25573 3333 1 6 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.758 -2.649 25573 3334 1 6 . 1 1 107 107 GLU H H 107 8.711 8.711 8.033 0.678 25573 3335 1 6 . 1 1 108 108 ASN N N 108 118.306 118.306 118.747 -0.441 25573 3336 1 6 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.486 0.115 25573 3337 1 6 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.019 -2.048 25573 3338 1 6 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.367 -2.915 25573 3339 1 6 . 1 1 108 108 ASN H H 108 8.045 8.045 8.285 -0.240 25573 3340 1 6 . 1 1 109 109 MET N N 109 120.038 120.038 119.678 0.360 25573 3341 1 6 . 1 1 109 109 MET HA H 109 4.305 4.305 4.297 0.008 25573 3342 1 6 . 1 1 109 109 MET CA C 109 55.602 55.602 57.444 -1.842 25573 3343 1 6 . 1 1 109 109 MET CB C 109 29.771 29.771 32.068 -2.297 25573 3344 1 6 . 1 1 109 109 MET H H 109 8.401 8.401 7.900 0.501 25573 3345 1 6 . 1 1 110 110 TYR N N 110 121.616 121.616 120.857 0.759 25573 3346 1 6 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.059 -0.396 25573 3347 1 6 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.749 -2.824 25573 3348 1 6 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.187 -2.260 25573 3349 1 6 . 1 1 110 110 TYR H H 110 8.651 8.651 8.660 -0.009 25573 3350 1 6 . 1 1 111 111 SER N N 111 110.621 110.621 112.791 -2.170 25573 3351 1 6 . 1 1 111 111 SER HA H 111 4.540 4.540 4.219 0.321 25573 3352 1 6 . 1 1 111 111 SER CA C 111 58.395 58.395 60.273 -1.878 25573 3353 1 6 . 1 1 111 111 SER CB C 111 60.600 60.600 63.153 -2.553 25573 3354 1 6 . 1 1 111 111 SER H H 111 7.394 7.394 8.292 -0.898 25573 3355 1 6 . 1 1 112 112 GLN N N 112 125.643 125.643 120.940 4.703 25573 3356 1 6 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.037 0.022 25573 3357 1 6 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.425 -2.342 25573 3358 1 6 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.848 -3.203 25573 3359 1 6 . 1 1 112 112 GLN H H 112 8.774 8.774 7.780 0.994 25573 3360 1 6 . 1 1 113 113 MET N N 113 114.866 114.866 115.657 -0.791 25573 3361 1 6 . 1 1 113 113 MET HA H 113 4.275 4.275 4.414 -0.139 25573 3362 1 6 . 1 1 113 113 MET CA C 113 53.246 53.246 56.181 -2.935 25573 3363 1 6 . 1 1 113 113 MET CB C 113 31.365 31.365 33.907 -2.542 25573 3364 1 6 . 1 1 113 113 MET H H 113 8.070 8.070 7.933 0.137 25573 3365 1 6 . 1 1 114 114 GLY N N 114 107.252 107.252 106.103 1.149 25573 3366 1 6 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.137 -2.177 25573 3367 1 6 . 1 1 114 114 GLY H H 114 8.012 8.012 7.594 0.418 25573 3368 1 6 . 1 1 115 115 LEU N N 115 114.939 114.939 117.338 -2.399 25573 3369 1 6 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.275 -0.400 25573 3370 1 6 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.990 -1.781 25573 3371 1 6 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.587 -6.129 25573 3372 1 6 . 1 1 115 115 LEU H H 115 7.447 7.447 7.819 -0.372 25573 3373 1 6 . 1 1 116 116 ASP N N 116 116.423 116.423 118.936 -2.513 25573 3374 1 6 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.788 -0.118 25573 3375 1 6 . 1 1 116 116 ASP CA C 116 52.303 52.303 53.403 -1.099 25573 3376 1 6 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.807 -5.488 25573 3377 1 6 . 1 1 116 116 ASP H H 116 8.518 8.518 7.464 1.054 25573 3378 1 6 . 1 1 117 117 THR N N 117 113.582 113.582 113.337 0.245 25573 3379 1 6 . 1 1 117 117 THR HA H 117 4.194 4.194 4.735 -0.541 25573 3380 1 6 . 1 1 117 117 THR CA C 117 58.925 58.925 61.325 -2.400 25573 3381 1 6 . 1 1 117 117 THR CB C 117 67.320 67.320 69.999 -2.679 25573 3382 1 6 . 1 1 117 117 THR H H 117 7.240 7.240 8.282 -1.042 25573 3383 1 6 . 1 1 118 118 ARG N N 118 126.068 126.068 120.715 5.353 25573 3384 1 6 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.241 0.325 25573 3385 1 6 . 1 1 118 118 ARG CA C 118 52.343 52.343 55.429 -3.086 25573 3386 1 6 . 1 1 118 118 ARG CB C 118 33.708 33.708 29.125 4.583 25573 3387 1 6 . 1 1 118 118 ARG H H 118 8.711 8.711 8.386 0.325 25573 3388 1 6 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.469 -2.391 25573 3389 1 6 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.959 -2.916 25573 3390 1 6 . 1 1 120 120 SER N N 120 116.251 116.251 115.829 0.422 25573 3391 1 6 . 1 1 120 120 SER HA H 120 4.385 4.385 4.443 -0.058 25573 3392 1 6 . 1 1 120 120 SER CA C 120 55.352 55.352 58.076 -2.724 25573 3393 1 6 . 1 1 120 120 SER CB C 120 61.037 61.037 63.953 -2.916 25573 3394 1 6 . 1 1 120 120 SER H H 120 8.385 8.385 8.217 0.168 25573 3395 1 6 . 1 1 121 121 MET N N 121 123.171 123.171 121.321 1.850 25573 3396 1 6 . 1 1 121 121 MET HA H 121 4.289 4.289 4.231 0.058 25573 3397 1 6 . 1 1 121 121 MET CA C 121 53.282 53.282 55.896 -2.614 25573 3398 1 6 . 1 1 121 121 MET CB C 121 30.755 30.755 32.906 -2.151 25573 3399 1 6 . 1 1 121 121 MET H H 121 8.297 8.297 8.582 -0.285 25573 3400 1 6 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.250 0.008 25573 3401 1 6 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.631 -3.962 25573 3402 1 6 . 1 1 123 123 GLU N N 123 122.135 122.135 118.177 3.958 25573 3403 1 6 . 1 1 123 123 GLU CA C 123 47.903 47.903 57.341 -9.438 25573 3404 1 6 . 1 1 123 123 GLU CB C 123 30.404 30.404 28.294 2.110 25573 3405 1 6 . 1 1 123 123 GLU H H 123 8.505 8.505 8.362 0.143 25573 3406 1 6 . 1 1 124 124 ALA N N 124 125.340 125.340 122.009 3.331 25573 3407 1 6 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.953 -0.622 25573 3408 1 6 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.395 -2.562 25573 3409 1 6 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.668 -4.003 25573 3410 1 6 . 1 1 124 124 ALA H H 124 8.422 8.422 8.307 0.115 25573 3411 1 6 . 1 1 125 125 GLY N N 125 108.426 108.426 109.415 -0.989 25573 3412 1 6 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.957 -2.216 25573 3413 1 6 . 1 1 125 125 GLY H H 125 8.401 8.401 8.409 -0.008 25573 3414 1 6 . 1 1 126 126 GLY N N 126 109.792 109.792 107.526 2.266 25573 3415 1 6 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.615 -2.369 25573 3416 1 6 . 1 1 126 126 GLY H H 126 8.515 8.515 7.969 0.546 25573 3417 1 6 . 1 1 127 127 LYS N N 127 120.366 120.366 121.607 -1.241 25573 3418 1 6 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.606 -0.285 25573 3419 1 6 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.679 -2.135 25573 3420 1 6 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.372 -3.020 25573 3421 1 6 . 1 1 127 127 LYS H H 127 8.244 8.244 8.312 -0.068 25573 3422 1 6 . 1 1 128 128 GLU N N 128 122.270 122.270 120.512 1.758 25573 3423 1 6 . 1 1 128 128 GLU CA C 128 56.044 56.044 57.543 -1.499 25573 3424 1 6 . 1 1 128 128 GLU H H 128 8.559 8.559 8.549 0.010 25573 3425 1 6 . 1 1 129 129 GLU N N 129 122.282 122.282 120.881 1.401 25573 3426 1 6 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.060 0.476 25573 3427 1 6 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.082 0.107 25573 3428 1 6 . 1 1 129 129 GLU H H 129 8.027 8.027 8.503 -0.476 25573 3429 1 6 . 1 1 130 130 GLY N N 130 110.258 110.258 110.265 -0.007 25573 3430 1 6 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.378 -2.717 25573 3431 1 6 . 1 1 130 130 GLY H H 130 10.190 10.190 8.338 1.852 25573 3432 1 6 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.351 0.028 25573 3433 1 6 . 1 1 132 132 PRO CA C 132 60.469 60.469 64.422 -3.953 25573 3434 1 6 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.239 -3.009 25573 3435 1 6 . 1 1 133 133 GLN N N 133 119.932 119.932 118.978 0.954 25573 3436 1 6 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.367 -0.048 25573 3437 1 6 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.158 -1.909 25573 3438 1 6 . 1 1 133 133 GLN CB C 133 29.655 29.655 29.646 0.009 25573 3439 1 6 . 1 1 133 133 GLN H H 133 8.478 8.478 8.145 0.333 25573 3440 1 6 . 1 1 134 134 ALA N N 134 124.828 124.828 126.930 -2.102 25573 3441 1 6 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.483 -0.234 25573 3442 1 6 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.126 -2.433 25573 3443 1 6 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.458 -3.434 25573 3444 1 6 . 1 1 134 134 ALA H H 134 8.263 8.263 8.286 -0.023 25573 3445 1 7 . 1 1 3 3 ASN N N 3 119.366 119.366 118.977 0.389 25573 3446 1 7 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.464 0.119 25573 3447 1 7 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.918 -2.527 25573 3448 1 7 . 1 1 3 3 ASN CB C 3 35.712 35.712 37.922 -2.210 25573 3449 1 7 . 1 1 3 3 ASN H H 3 8.596 8.596 8.307 0.289 25573 3450 1 7 . 1 1 4 4 GLY N N 4 112.829 112.829 105.138 7.691 25573 3451 1 7 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.651 -1.949 25573 3452 1 7 . 1 1 4 4 GLY H H 4 8.073 8.073 8.314 -0.241 25573 3453 1 7 . 1 1 5 5 ALA N N 5 123.630 123.630 122.126 1.504 25573 3454 1 7 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.865 -0.462 25573 3455 1 7 . 1 1 5 5 ALA CA C 5 49.640 49.640 51.688 -2.048 25573 3456 1 7 . 1 1 5 5 ALA CB C 5 16.414 16.414 20.232 -3.817 25573 3457 1 7 . 1 1 5 5 ALA H H 5 8.008 8.008 7.714 0.294 25573 3458 1 7 . 1 1 6 6 SER N N 6 114.866 114.866 114.468 0.398 25573 3459 1 7 . 1 1 6 6 SER HA H 6 4.270 4.270 4.810 -0.540 25573 3460 1 7 . 1 1 6 6 SER CA C 6 56.023 56.023 58.635 -2.612 25573 3461 1 7 . 1 1 6 6 SER CB C 6 60.936 60.936 64.617 -3.681 25573 3462 1 7 . 1 1 6 6 SER H H 6 8.293 8.293 8.596 -0.303 25573 3463 1 7 . 1 1 7 7 ARG N N 7 119.250 119.250 123.154 -3.904 25573 3464 1 7 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.316 0.190 25573 3465 1 7 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.092 0.330 25573 3466 1 7 . 1 1 7 7 ARG H H 7 8.305 8.305 8.540 -0.235 25573 3467 1 7 . 1 1 8 8 ASP N N 8 119.662 119.662 118.723 0.939 25573 3468 1 7 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.479 -0.326 25573 3469 1 7 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.993 -1.439 25573 3470 1 7 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.288 -13.787 25573 3471 1 7 . 1 1 8 8 ASP H H 8 7.915 7.915 8.725 -0.810 25573 3472 1 7 . 1 1 9 9 TRP N N 9 121.861 121.861 121.048 0.813 25573 3473 1 7 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.411 -0.295 25573 3474 1 7 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.638 -3.676 25573 3475 1 7 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.814 -1.792 25573 3476 1 7 . 1 1 9 9 TRP H H 9 8.222 8.222 7.768 0.454 25573 3477 1 7 . 1 1 10 10 LYS N N 10 118.681 118.681 119.856 -1.175 25573 3478 1 7 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.684 0.598 25573 3479 1 7 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.652 -0.753 25573 3480 1 7 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.335 -4.296 25573 3481 1 7 . 1 1 10 10 LYS H H 10 8.003 8.003 8.198 -0.195 25573 3482 1 7 . 1 1 11 11 MET N N 11 119.366 119.366 118.028 1.338 25573 3483 1 7 . 1 1 11 11 MET HA H 11 4.559 4.559 4.108 0.451 25573 3484 1 7 . 1 1 11 11 MET CA C 11 53.485 53.485 58.720 -5.235 25573 3485 1 7 . 1 1 11 11 MET H H 11 8.041 8.041 8.088 -0.047 25573 3486 1 7 . 1 1 12 12 ALA N N 12 122.650 122.650 122.491 0.159 25573 3487 1 7 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.015 0.194 25573 3488 1 7 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.904 4.896 25573 3489 1 7 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.212 -0.440 25573 3490 1 7 . 1 1 12 12 ALA H H 12 7.904 7.904 7.720 0.184 25573 3491 1 7 . 1 1 13 13 ILE N N 13 117.322 117.322 118.967 -1.645 25573 3492 1 7 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.834 1.744 25573 3493 1 7 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.750 -7.847 25573 3494 1 7 . 1 1 13 13 ILE H H 13 8.380 8.380 7.657 0.723 25573 3495 1 7 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.432 1.484 25573 3496 1 7 . 1 1 16 16 CYS N N 16 116.263 116.263 118.188 -1.925 25573 3497 1 7 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.166 -0.121 25573 3498 1 7 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.712 -1.928 25573 3499 1 7 . 1 1 16 16 CYS CB C 16 28.810 28.810 27.000 1.810 25573 3500 1 7 . 1 1 16 16 CYS H H 16 7.799 7.799 7.978 -0.179 25573 3501 1 7 . 1 1 17 17 SER N N 17 114.606 114.606 116.617 -2.011 25573 3502 1 7 . 1 1 17 17 SER HA H 17 4.952 4.952 4.466 0.486 25573 3503 1 7 . 1 1 17 17 SER CA C 17 58.171 58.171 60.984 -2.813 25573 3504 1 7 . 1 1 17 17 SER CB C 17 60.740 60.740 63.000 -2.260 25573 3505 1 7 . 1 1 17 17 SER H H 17 7.830 7.830 8.329 -0.499 25573 3506 1 7 . 1 1 18 18 ASN N N 18 116.143 116.143 119.424 -3.281 25573 3507 1 7 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.879 0.129 25573 3508 1 7 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.287 -2.812 25573 3509 1 7 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.918 -1.629 25573 3510 1 7 . 1 1 18 18 ASN H H 18 7.557 7.557 7.730 -0.173 25573 3511 1 7 . 1 1 19 19 VAL N N 19 121.616 121.616 119.109 2.507 25573 3512 1 7 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.554 -1.055 25573 3513 1 7 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.797 -1.067 25573 3514 1 7 . 1 1 19 19 VAL CB C 19 29.042 29.042 35.416 -6.373 25573 3515 1 7 . 1 1 19 19 VAL H H 19 7.919 7.919 7.920 -0.001 25573 3516 1 7 . 1 1 20 20 ALA N N 20 129.139 129.139 127.872 1.267 25573 3517 1 7 . 1 1 20 20 ALA HA H 20 4.795 4.795 5.000 -0.205 25573 3518 1 7 . 1 1 20 20 ALA C C 20 169.500 169.500 177.972 -8.472 25573 3519 1 7 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.657 -0.242 25573 3520 1 7 . 1 1 20 20 ALA CB C 20 17.716 17.716 22.083 -4.367 25573 3521 1 7 . 1 1 20 20 ALA H H 20 8.150 8.150 8.054 0.096 25573 3522 1 7 . 1 1 21 21 VAL N N 21 120.390 120.390 119.421 0.969 25573 3523 1 7 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.776 -0.009 25573 3524 1 7 . 1 1 21 21 VAL CA C 21 63.578 63.578 65.831 -2.253 25573 3525 1 7 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.729 -1.983 25573 3526 1 7 . 1 1 21 21 VAL H H 21 8.319 8.319 8.602 -0.283 25573 3527 1 7 . 1 1 22 22 GLY N N 22 108.884 108.884 104.422 4.462 25573 3528 1 7 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.794 -2.826 25573 3529 1 7 . 1 1 22 22 GLY H H 22 8.221 8.221 7.560 0.661 25573 3530 1 7 . 1 1 23 23 VAL N N 23 117.439 117.439 116.281 1.158 25573 3531 1 7 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.147 0.091 25573 3532 1 7 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.926 -4.838 25573 3533 1 7 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.016 -1.582 25573 3534 1 7 . 1 1 23 23 VAL H H 23 8.003 8.003 8.312 -0.309 25573 3535 1 7 . 1 1 24 24 GLY N N 24 112.616 112.616 107.181 5.435 25573 3536 1 7 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.647 -1.868 25573 3537 1 7 . 1 1 24 24 GLY H H 24 8.716 8.716 7.692 1.024 25573 3538 1 7 . 1 1 25 25 GLY N N 25 108.753 108.753 107.497 1.256 25573 3539 1 7 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.063 -3.063 25573 3540 1 7 . 1 1 25 25 GLY H H 25 8.286 8.286 7.797 0.489 25573 3541 1 7 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.037 0.339 25573 3542 1 7 . 1 1 26 26 LYS CA C 26 53.512 53.512 57.899 -4.387 25573 3543 1 7 . 1 1 27 27 SER HA H 27 4.922 4.922 4.427 0.495 25573 3544 1 7 . 1 1 27 27 SER CA C 27 56.876 56.876 58.046 -1.170 25573 3545 1 7 . 1 1 27 27 SER CB C 27 64.578 64.578 63.324 1.254 25573 3546 1 7 . 1 1 27 27 SER H H 27 7.831 7.831 7.726 0.105 25573 3547 1 7 . 1 1 28 28 LYS N N 28 122.919 122.919 123.340 -0.421 25573 3548 1 7 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.234 -0.050 25573 3549 1 7 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.526 1.013 25573 3550 1 7 . 1 1 28 28 LYS CB C 28 33.366 33.366 31.304 2.062 25573 3551 1 7 . 1 1 28 28 LYS H H 28 8.589 8.589 8.456 0.133 25573 3552 1 7 . 1 1 29 29 LYS N N 29 120.917 120.917 118.474 2.443 25573 3553 1 7 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.684 -0.301 25573 3554 1 7 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.003 -1.468 25573 3555 1 7 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.241 -2.165 25573 3556 1 7 . 1 1 29 29 LYS H H 29 8.471 8.471 7.272 1.199 25573 3557 1 7 . 1 1 30 30 PHE N N 30 119.366 119.366 119.890 -0.524 25573 3558 1 7 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.434 -0.576 25573 3559 1 7 . 1 1 30 30 PHE CA C 30 58.172 58.172 56.088 2.084 25573 3560 1 7 . 1 1 30 30 PHE CB C 30 38.242 38.242 41.392 -3.150 25573 3561 1 7 . 1 1 30 30 PHE H H 30 8.000 8.000 8.094 -0.094 25573 3562 1 7 . 1 1 31 31 GLY N N 31 106.991 106.991 105.286 1.705 25573 3563 1 7 . 1 1 31 31 GLY CA C 31 40.936 40.936 45.197 -4.261 25573 3564 1 7 . 1 1 31 31 GLY H H 31 8.404 8.404 7.652 0.752 25573 3565 1 7 . 1 1 32 32 GLU N N 32 120.491 120.491 121.168 -0.677 25573 3566 1 7 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.972 0.140 25573 3567 1 7 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.970 -1.799 25573 3568 1 7 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.625 -2.318 25573 3569 1 7 . 1 1 32 32 GLU H H 32 9.168 9.168 8.901 0.267 25573 3570 1 7 . 1 1 33 33 GLY N N 33 109.241 109.241 108.025 1.216 25573 3571 1 7 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.737 -3.146 25573 3572 1 7 . 1 1 33 33 GLY H H 33 8.613 8.613 8.437 0.176 25573 3573 1 7 . 1 1 34 34 ASN N N 34 118.241 118.241 120.930 -2.689 25573 3574 1 7 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.505 -0.467 25573 3575 1 7 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.404 -1.941 25573 3576 1 7 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.254 -1.860 25573 3577 1 7 . 1 1 34 34 ASN H H 34 7.897 7.897 8.140 -0.243 25573 3578 1 7 . 1 1 35 35 PHE N N 35 117.116 117.116 119.341 -2.225 25573 3579 1 7 . 1 1 35 35 PHE HA H 35 4.088 4.088 3.977 0.111 25573 3580 1 7 . 1 1 35 35 PHE CA C 35 59.312 59.312 61.412 -2.100 25573 3581 1 7 . 1 1 35 35 PHE CB C 35 35.828 35.828 38.219 -2.391 25573 3582 1 7 . 1 1 35 35 PHE H H 35 7.180 7.180 8.594 -1.414 25573 3583 1 7 . 1 1 36 36 ARG N N 36 117.825 117.825 119.397 -1.572 25573 3584 1 7 . 1 1 36 36 ARG HA H 36 3.572 3.572 3.930 -0.358 25573 3585 1 7 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.649 -1.407 25573 3586 1 7 . 1 1 36 36 ARG CB C 36 33.997 33.997 30.052 3.946 25573 3587 1 7 . 1 1 36 36 ARG H H 36 8.278 8.278 7.843 0.435 25573 3588 1 7 . 1 1 37 37 TRP N N 37 118.845 118.845 121.214 -2.369 25573 3589 1 7 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.179 -0.045 25573 3590 1 7 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.212 -2.312 25573 3591 1 7 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.233 -1.784 25573 3592 1 7 . 1 1 37 37 TRP H H 37 8.106 8.106 8.031 0.075 25573 3593 1 7 . 1 1 38 38 ALA N N 38 119.609 119.609 122.160 -2.551 25573 3594 1 7 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.725 0.704 25573 3595 1 7 . 1 1 38 38 ALA CA C 38 52.894 52.894 55.098 -2.204 25573 3596 1 7 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.523 -2.124 25573 3597 1 7 . 1 1 38 38 ALA H H 38 8.332 8.332 8.004 0.328 25573 3598 1 7 . 1 1 39 39 ILE N N 39 114.866 114.866 119.432 -4.566 25573 3599 1 7 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.700 0.664 25573 3600 1 7 . 1 1 39 39 ILE CA C 39 55.584 55.584 63.968 -8.384 25573 3601 1 7 . 1 1 39 39 ILE CB C 39 31.492 31.492 36.426 -4.934 25573 3602 1 7 . 1 1 39 39 ILE H H 39 8.161 8.161 8.133 0.028 25573 3603 1 7 . 1 1 40 40 ARG N N 40 120.240 120.240 119.260 0.980 25573 3604 1 7 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.871 0.195 25573 3605 1 7 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.064 -2.425 25573 3606 1 7 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.729 0.080 25573 3607 1 7 . 1 1 40 40 ARG H H 40 8.446 8.446 8.536 -0.090 25573 3608 1 7 . 1 1 41 41 MET HA H 41 4.305 4.305 3.804 0.501 25573 3609 1 7 . 1 1 41 41 MET CA C 41 53.585 53.585 58.646 -5.061 25573 3610 1 7 . 1 1 41 41 MET CB C 41 29.902 29.902 31.912 -2.010 25573 3611 1 7 . 1 1 42 42 ALA N N 42 122.782 122.782 119.732 3.050 25573 3612 1 7 . 1 1 42 42 ALA HA H 42 4.548 4.548 4.074 0.474 25573 3613 1 7 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.092 -1.816 25573 3614 1 7 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.299 -1.438 25573 3615 1 7 . 1 1 42 42 ALA H H 42 8.556 8.556 7.696 0.860 25573 3616 1 7 . 1 1 43 43 ASN N N 43 119.366 119.366 116.623 2.743 25573 3617 1 7 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.464 0.230 25573 3618 1 7 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.755 -5.418 25573 3619 1 7 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.581 -2.890 25573 3620 1 7 . 1 1 43 43 ASN H H 43 8.613 8.613 8.178 0.435 25573 3621 1 7 . 1 1 44 44 VAL N N 44 118.466 118.466 118.550 -0.084 25573 3622 1 7 . 1 1 44 44 VAL HA H 44 3.899 3.899 4.130 -0.231 25573 3623 1 7 . 1 1 44 44 VAL CA C 44 63.094 63.094 64.579 -1.485 25573 3624 1 7 . 1 1 44 44 VAL CB C 44 28.921 28.921 32.073 -3.152 25573 3625 1 7 . 1 1 44 44 VAL H H 44 8.464 8.464 7.701 0.763 25573 3626 1 7 . 1 1 45 45 SER N N 45 113.763 113.763 116.208 -2.445 25573 3627 1 7 . 1 1 45 45 SER HA H 45 4.328 4.328 4.139 0.189 25573 3628 1 7 . 1 1 45 45 SER CA C 45 58.553 58.553 61.449 -2.896 25573 3629 1 7 . 1 1 45 45 SER CB C 45 61.343 61.343 63.231 -1.888 25573 3630 1 7 . 1 1 45 45 SER H H 45 7.963 7.963 8.444 -0.481 25573 3631 1 7 . 1 1 46 46 THR N N 46 106.729 106.729 112.334 -5.605 25573 3632 1 7 . 1 1 46 46 THR HA H 46 4.602 4.602 4.609 -0.007 25573 3633 1 7 . 1 1 46 46 THR CA C 46 58.026 58.026 60.740 -2.715 25573 3634 1 7 . 1 1 46 46 THR CB C 46 67.285 67.285 69.322 -2.037 25573 3635 1 7 . 1 1 46 46 THR H H 46 7.560 7.560 7.514 0.046 25573 3636 1 7 . 1 1 47 47 GLY N N 47 109.384 109.384 109.930 -0.546 25573 3637 1 7 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.273 -1.464 25573 3638 1 7 . 1 1 47 47 GLY H H 47 7.539 7.539 7.663 -0.124 25573 3639 1 7 . 1 1 48 48 ARG N N 48 120.563 120.563 120.731 -0.168 25573 3640 1 7 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.395 -0.042 25573 3641 1 7 . 1 1 48 48 ARG CA C 48 52.339 52.339 55.720 -3.381 25573 3642 1 7 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.942 -0.182 25573 3643 1 7 . 1 1 48 48 ARG H H 48 8.220 8.220 8.415 -0.195 25573 3644 1 7 . 1 1 49 49 GLU N N 49 122.874 122.874 121.482 1.392 25573 3645 1 7 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.061 0.261 25573 3646 1 7 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.757 -2.623 25573 3647 1 7 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.590 -0.486 25573 3648 1 7 . 1 1 49 49 GLU H H 49 8.661 8.661 8.641 0.020 25573 3649 1 7 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.804 2.090 25573 3650 1 7 . 1 1 51 51 GLY N N 51 102.859 102.859 108.558 -5.699 25573 3651 1 7 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.050 -2.973 25573 3652 1 7 . 1 1 51 51 GLY H H 51 8.368 8.368 8.289 0.079 25573 3653 1 7 . 1 1 52 52 ASP N N 52 120.491 120.491 121.438 -0.947 25573 3654 1 7 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.681 -0.301 25573 3655 1 7 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.385 -2.704 25573 3656 1 7 . 1 1 52 52 ASP CB C 52 37.801 37.801 43.744 -5.943 25573 3657 1 7 . 1 1 52 52 ASP H H 52 7.204 7.204 8.208 -1.004 25573 3658 1 7 . 1 1 53 53 ILE N N 53 127.662 127.662 115.044 12.618 25573 3659 1 7 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.617 -0.087 25573 3660 1 7 . 1 1 53 53 ILE CA C 53 54.127 54.127 57.387 -3.260 25573 3661 1 7 . 1 1 53 53 ILE CB C 53 35.495 35.495 40.302 -4.807 25573 3662 1 7 . 1 1 53 53 ILE H H 53 8.255 8.255 8.064 0.191 25573 3663 1 7 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.653 -0.167 25573 3664 1 7 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.952 -2.833 25573 3665 1 7 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.398 -3.603 25573 3666 1 7 . 1 1 55 55 GLU N N 55 117.116 117.116 116.056 1.060 25573 3667 1 7 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.301 0.205 25573 3668 1 7 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.841 -2.558 25573 3669 1 7 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.664 0.018 25573 3670 1 7 . 1 1 55 55 GLU H H 55 8.580 8.580 8.851 -0.271 25573 3671 1 7 . 1 1 56 56 THR N N 56 105.122 105.122 113.423 -8.301 25573 3672 1 7 . 1 1 56 56 THR HA H 56 4.832 4.832 4.676 0.156 25573 3673 1 7 . 1 1 56 56 THR CA C 56 55.381 55.381 61.002 -5.621 25573 3674 1 7 . 1 1 56 56 THR CB C 56 70.771 70.771 69.796 0.975 25573 3675 1 7 . 1 1 56 56 THR H H 56 7.367 7.367 7.865 -0.498 25573 3676 1 7 . 1 1 57 57 LEU N N 57 122.564 122.564 126.412 -3.848 25573 3677 1 7 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.899 0.533 25573 3678 1 7 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.543 -2.134 25573 3679 1 7 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.950 -4.089 25573 3680 1 7 . 1 1 57 57 LEU H H 57 9.222 9.222 9.003 0.219 25573 3681 1 7 . 1 1 58 58 ASP N N 58 119.366 119.366 118.524 0.842 25573 3682 1 7 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.623 0.657 25573 3683 1 7 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.227 -2.870 25573 3684 1 7 . 1 1 58 58 ASP H H 58 8.570 8.570 8.422 0.148 25573 3685 1 7 . 1 1 59 59 GLN N N 59 118.241 118.241 119.878 -1.637 25573 3686 1 7 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.036 -0.004 25573 3687 1 7 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.792 -2.875 25573 3688 1 7 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.764 -2.690 25573 3689 1 7 . 1 1 59 59 GLN H H 59 7.823 7.823 7.627 0.196 25573 3690 1 7 . 1 1 60 60 LEU N N 60 121.691 121.691 120.623 1.068 25573 3691 1 7 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.969 0.110 25573 3692 1 7 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.179 -2.908 25573 3693 1 7 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.895 5.742 25573 3694 1 7 . 1 1 60 60 LEU H H 60 8.187 8.187 8.062 0.125 25573 3695 1 7 . 1 1 61 61 ARG N N 61 117.960 117.960 119.175 -1.215 25573 3696 1 7 . 1 1 61 61 ARG HA H 61 4.066 4.066 3.951 0.115 25573 3697 1 7 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.458 -3.276 25573 3698 1 7 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.945 -1.028 25573 3699 1 7 . 1 1 61 61 ARG H H 61 9.133 9.133 8.019 1.114 25573 3700 1 7 . 1 1 62 62 LEU N N 62 118.408 118.408 119.684 -1.276 25573 3701 1 7 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.145 -0.119 25573 3702 1 7 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.649 -1.569 25573 3703 1 7 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.396 -3.032 25573 3704 1 7 . 1 1 62 62 LEU H H 62 7.817 7.817 7.784 0.033 25573 3705 1 7 . 1 1 63 63 VAL N N 63 119.177 119.177 120.391 -1.214 25573 3706 1 7 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.550 -0.013 25573 3707 1 7 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.033 -2.532 25573 3708 1 7 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.817 -2.933 25573 3709 1 7 . 1 1 63 63 VAL H H 63 7.368 7.368 7.647 -0.279 25573 3710 1 7 . 1 1 64 64 ILE N N 64 119.068 119.068 120.754 -1.686 25573 3711 1 7 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.597 -0.057 25573 3712 1 7 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.955 -1.474 25573 3713 1 7 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.550 -2.838 25573 3714 1 7 . 1 1 64 64 ILE H H 64 8.320 8.320 7.959 0.361 25573 3715 1 7 . 1 1 65 65 CYS N N 65 119.131 119.131 118.592 0.539 25573 3716 1 7 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.027 0.303 25573 3717 1 7 . 1 1 65 65 CYS CA C 65 60.908 60.908 64.316 -3.408 25573 3718 1 7 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.413 -2.521 25573 3719 1 7 . 1 1 65 65 CYS H H 65 9.076 9.076 7.854 1.222 25573 3720 1 7 . 1 1 66 66 ASP N N 66 120.537 120.537 120.235 0.302 25573 3721 1 7 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.356 -0.044 25573 3722 1 7 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.410 0.354 25573 3723 1 7 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.792 -2.607 25573 3724 1 7 . 1 1 66 66 ASP H H 66 8.512 8.512 8.274 0.238 25573 3725 1 7 . 1 1 67 67 LEU N N 67 119.364 119.364 121.007 -1.643 25573 3726 1 7 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.960 0.010 25573 3727 1 7 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.249 -1.263 25573 3728 1 7 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.777 -9.031 25573 3729 1 7 . 1 1 67 67 LEU H H 67 8.971 8.971 8.052 0.919 25573 3730 1 7 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.100 0.329 25573 3731 1 7 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.399 -3.634 25573 3732 1 7 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.416 0.385 25573 3733 1 7 . 1 1 70 70 ARG N N 70 122.186 122.186 119.689 2.497 25573 3734 1 7 . 1 1 70 70 ARG HA H 70 4.486 4.486 3.985 0.501 25573 3735 1 7 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.773 -7.239 25573 3736 1 7 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.337 0.004 25573 3737 1 7 . 1 1 70 70 ARG H H 70 8.345 8.345 8.401 -0.056 25573 3738 1 7 . 1 1 71 71 ARG N N 71 121.616 121.616 117.873 3.743 25573 3739 1 7 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.065 -1.441 25573 3740 1 7 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.652 -4.473 25573 3741 1 7 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.510 0.497 25573 3742 1 7 . 1 1 71 71 ARG H H 71 8.480 8.480 8.575 -0.095 25573 3743 1 7 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.059 0.013 25573 3744 1 7 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.956 -2.980 25573 3745 1 7 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.520 -1.768 25573 3746 1 7 . 1 1 74 74 PHE N N 74 115.001 115.001 117.213 -2.212 25573 3747 1 7 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.336 0.486 25573 3748 1 7 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.288 -4.167 25573 3749 1 7 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.770 -3.183 25573 3750 1 7 . 1 1 74 74 PHE H H 74 8.530 8.530 7.773 0.757 25573 3751 1 7 . 1 1 75 75 GLY N N 75 110.366 110.366 106.721 3.645 25573 3752 1 7 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.762 -2.758 25573 3753 1 7 . 1 1 75 75 GLY H H 75 7.799 7.799 7.751 0.048 25573 3754 1 7 . 1 1 76 76 SER N N 76 113.283 113.283 114.785 -1.502 25573 3755 1 7 . 1 1 76 76 SER HA H 76 4.523 4.523 4.666 -0.143 25573 3756 1 7 . 1 1 76 76 SER CA C 76 54.361 54.361 58.227 -3.866 25573 3757 1 7 . 1 1 76 76 SER CB C 76 61.887 61.887 63.918 -2.031 25573 3758 1 7 . 1 1 76 76 SER H H 76 8.417 8.417 8.308 0.109 25573 3759 1 7 . 1 1 77 77 SER N N 77 114.950 114.950 115.280 -0.330 25573 3760 1 7 . 1 1 77 77 SER HA H 77 4.535 4.535 4.551 -0.016 25573 3761 1 7 . 1 1 77 77 SER CA C 77 53.833 53.833 57.632 -3.799 25573 3762 1 7 . 1 1 77 77 SER CB C 77 63.488 63.488 65.433 -1.945 25573 3763 1 7 . 1 1 77 77 SER H H 77 8.428 8.428 7.870 0.558 25573 3764 1 7 . 1 1 78 78 LYS N N 78 122.032 122.032 123.893 -1.861 25573 3765 1 7 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.989 0.686 25573 3766 1 7 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.568 -5.441 25573 3767 1 7 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.313 -3.079 25573 3768 1 7 . 1 1 78 78 LYS H H 78 9.044 9.044 8.890 0.154 25573 3769 1 7 . 1 1 79 79 GLU N N 79 118.232 118.232 118.678 -0.446 25573 3770 1 7 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.149 0.143 25573 3771 1 7 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.989 -1.885 25573 3772 1 7 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.603 -2.757 25573 3773 1 7 . 1 1 79 79 GLU H H 79 8.795 8.795 7.988 0.807 25573 3774 1 7 . 1 1 80 80 ILE N N 80 120.491 120.491 120.872 -0.381 25573 3775 1 7 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.739 -0.010 25573 3776 1 7 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.815 -3.349 25573 3777 1 7 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.924 -1.815 25573 3778 1 7 . 1 1 80 80 ILE H H 80 7.892 7.892 7.763 0.129 25573 3779 1 7 . 1 1 81 81 ASP N N 81 120.491 120.491 120.451 0.040 25573 3780 1 7 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.350 -0.044 25573 3781 1 7 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.888 -2.514 25573 3782 1 7 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.978 -3.602 25573 3783 1 7 . 1 1 81 81 ASP H H 81 8.424 8.424 8.407 0.017 25573 3784 1 7 . 1 1 82 82 MET N N 82 118.588 118.588 118.058 0.530 25573 3785 1 7 . 1 1 82 82 MET HA H 82 4.610 4.610 4.293 0.317 25573 3786 1 7 . 1 1 82 82 MET CA C 82 54.472 54.472 58.962 -4.490 25573 3787 1 7 . 1 1 82 82 MET CB C 82 29.557 29.557 32.738 -3.181 25573 3788 1 7 . 1 1 82 82 MET H H 82 8.215 8.215 7.878 0.337 25573 3789 1 7 . 1 1 83 83 ALA N N 83 127.525 127.525 124.257 3.268 25573 3790 1 7 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.164 -0.065 25573 3791 1 7 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.192 -1.284 25573 3792 1 7 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.285 -3.475 25573 3793 1 7 . 1 1 83 83 ALA H H 83 10.165 10.165 7.924 2.241 25573 3794 1 7 . 1 1 84 84 ILE N N 84 115.968 115.968 118.339 -2.371 25573 3795 1 7 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.835 -0.301 25573 3796 1 7 . 1 1 84 84 ILE CA C 84 64.377 64.377 63.505 0.872 25573 3797 1 7 . 1 1 84 84 ILE CB C 84 35.417 35.417 36.636 -1.219 25573 3798 1 7 . 1 1 84 84 ILE H H 84 8.437 8.437 7.980 0.457 25573 3799 1 7 . 1 1 85 85 VAL N N 85 117.106 117.106 119.478 -2.372 25573 3800 1 7 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.706 0.339 25573 3801 1 7 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.594 -10.669 25573 3802 1 7 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.784 -1.599 25573 3803 1 7 . 1 1 85 85 VAL H H 85 7.835 7.835 8.063 -0.228 25573 3804 1 7 . 1 1 86 86 THR N N 86 116.673 116.673 114.759 1.914 25573 3805 1 7 . 1 1 86 86 THR HA H 86 4.181 4.181 4.166 0.015 25573 3806 1 7 . 1 1 86 86 THR CA C 86 59.627 59.627 65.974 -6.347 25573 3807 1 7 . 1 1 86 86 THR CB C 86 65.856 65.856 68.262 -2.406 25573 3808 1 7 . 1 1 86 86 THR H H 86 8.254 8.254 8.525 -0.271 25573 3809 1 7 . 1 1 87 87 LEU N N 87 121.447 121.447 122.048 -0.601 25573 3810 1 7 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.124 0.458 25573 3811 1 7 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.962 -1.106 25573 3812 1 7 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.177 -9.352 25573 3813 1 7 . 1 1 87 87 LEU H H 87 7.913 7.913 7.927 -0.014 25573 3814 1 7 . 1 1 88 88 LYS N N 88 119.505 119.505 119.996 -0.491 25573 3815 1 7 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.843 0.298 25573 3816 1 7 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.940 -3.870 25573 3817 1 7 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.563 -2.676 25573 3818 1 7 . 1 1 88 88 LYS H H 88 7.970 7.970 7.699 0.271 25573 3819 1 7 . 1 1 89 89 VAL N N 89 119.366 119.366 118.026 1.340 25573 3820 1 7 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.710 0.110 25573 3821 1 7 . 1 1 89 89 VAL CA C 89 56.956 56.956 65.682 -8.726 25573 3822 1 7 . 1 1 89 89 VAL H H 89 8.082 8.082 8.018 0.064 25573 3823 1 7 . 1 1 90 90 PHE N N 90 119.366 119.366 120.556 -1.190 25573 3824 1 7 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.042 0.382 25573 3825 1 7 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.845 -3.694 25573 3826 1 7 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.531 -2.901 25573 3827 1 7 . 1 1 90 90 PHE H H 90 8.104 8.104 8.468 -0.364 25573 3828 1 7 . 1 1 91 91 ALA N N 91 118.916 118.916 122.283 -3.367 25573 3829 1 7 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.634 0.882 25573 3830 1 7 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.908 -0.496 25573 3831 1 7 . 1 1 91 91 ALA CB C 91 15.890 15.890 17.935 -2.045 25573 3832 1 7 . 1 1 91 91 ALA H H 91 8.187 8.187 7.060 1.127 25573 3833 1 7 . 1 1 92 92 VAL N N 92 113.741 113.741 118.721 -4.980 25573 3834 1 7 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.634 -0.047 25573 3835 1 7 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.935 -3.356 25573 3836 1 7 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.649 -0.857 25573 3837 1 7 . 1 1 92 92 VAL H H 92 8.196 8.196 8.023 0.173 25573 3838 1 7 . 1 1 93 93 ALA N N 93 119.366 119.366 120.456 -1.090 25573 3839 1 7 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.214 0.480 25573 3840 1 7 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.662 -4.381 25573 3841 1 7 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.056 -1.341 25573 3842 1 7 . 1 1 93 93 ALA H H 93 8.564 8.564 7.845 0.719 25573 3843 1 7 . 1 1 94 94 GLY N N 94 104.958 104.958 107.540 -2.582 25573 3844 1 7 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.922 -1.998 25573 3845 1 7 . 1 1 94 94 GLY H H 94 6.940 6.940 7.321 -0.381 25573 3846 1 7 . 1 1 95 95 LEU N N 95 120.679 120.679 121.300 -0.621 25573 3847 1 7 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.094 -0.089 25573 3848 1 7 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.021 -2.617 25573 3849 1 7 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.182 -2.957 25573 3850 1 7 . 1 1 95 95 LEU H H 95 7.724 7.724 7.935 -0.211 25573 3851 1 7 . 1 1 96 96 LEU N N 96 115.261 115.261 117.242 -1.981 25573 3852 1 7 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.290 -0.015 25573 3853 1 7 . 1 1 96 96 LEU CA C 96 52.270 52.270 55.003 -2.733 25573 3854 1 7 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.378 -3.692 25573 3855 1 7 . 1 1 96 96 LEU H H 96 7.723 7.723 7.695 0.028 25573 3856 1 7 . 1 1 97 97 ASN N N 97 112.672 112.672 113.848 -1.176 25573 3857 1 7 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.446 -0.205 25573 3858 1 7 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.459 -3.259 25573 3859 1 7 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.566 -2.120 25573 3860 1 7 . 1 1 97 97 ASN H H 97 6.694 6.694 7.393 -0.699 25573 3861 1 7 . 1 1 98 98 MET N N 98 115.968 115.968 117.313 -1.345 25573 3862 1 7 . 1 1 98 98 MET HA H 98 4.614 4.614 4.310 0.304 25573 3863 1 7 . 1 1 98 98 MET CA C 98 51.685 51.685 57.026 -5.341 25573 3864 1 7 . 1 1 98 98 MET CB C 98 29.808 29.808 33.335 -3.527 25573 3865 1 7 . 1 1 98 98 MET H H 98 8.168 8.168 7.847 0.321 25573 3866 1 7 . 1 1 99 99 THR N N 99 118.683 118.683 109.728 8.955 25573 3867 1 7 . 1 1 99 99 THR HA H 99 4.184 4.184 4.552 -0.368 25573 3868 1 7 . 1 1 99 99 THR CA C 99 59.813 59.813 60.826 -1.013 25573 3869 1 7 . 1 1 99 99 THR CB C 99 65.438 65.438 68.773 -3.335 25573 3870 1 7 . 1 1 99 99 THR H H 99 8.562 8.562 8.149 0.413 25573 3871 1 7 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.187 -0.068 25573 3872 1 7 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.391 -4.689 25573 3873 1 7 . 1 1 100 100 VAL H H 100 8.392 8.392 7.737 0.655 25573 3874 1 7 . 1 1 101 101 SER N N 101 121.736 121.736 116.026 5.710 25573 3875 1 7 . 1 1 101 101 SER HA H 101 4.645 4.645 5.083 -0.438 25573 3876 1 7 . 1 1 101 101 SER CA C 101 56.852 56.852 58.831 -1.979 25573 3877 1 7 . 1 1 101 101 SER CB C 101 61.739 61.739 64.745 -3.006 25573 3878 1 7 . 1 1 101 101 SER H H 101 8.079 8.079 8.597 -0.518 25573 3879 1 7 . 1 1 102 102 THR N N 102 110.147 110.147 111.857 -1.710 25573 3880 1 7 . 1 1 102 102 THR HA H 102 5.450 5.450 5.032 0.418 25573 3881 1 7 . 1 1 102 102 THR CA C 102 56.522 56.522 60.751 -4.229 25573 3882 1 7 . 1 1 102 102 THR CB C 102 71.007 71.007 71.719 -0.712 25573 3883 1 7 . 1 1 102 102 THR H H 102 7.276 7.276 7.434 -0.158 25573 3884 1 7 . 1 1 103 103 ALA N N 103 124.013 124.013 127.205 -3.192 25573 3885 1 7 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.003 -0.049 25573 3886 1 7 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.652 -3.374 25573 3887 1 7 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.587 -2.903 25573 3888 1 7 . 1 1 103 103 ALA H H 103 8.433 8.433 8.457 -0.024 25573 3889 1 7 . 1 1 104 104 ALA N N 104 119.649 119.649 120.993 -1.344 25573 3890 1 7 . 1 1 104 104 ALA HA H 104 4.286 4.286 3.984 0.302 25573 3891 1 7 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.688 -2.386 25573 3892 1 7 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.167 -1.647 25573 3893 1 7 . 1 1 104 104 ALA H H 104 8.474 8.474 8.154 0.320 25573 3894 1 7 . 1 1 105 105 ALA N N 105 120.587 120.587 120.754 -0.167 25573 3895 1 7 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.010 0.254 25573 3896 1 7 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.860 -2.662 25573 3897 1 7 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.248 -2.503 25573 3898 1 7 . 1 1 105 105 ALA H H 105 8.050 8.050 7.824 0.226 25573 3899 1 7 . 1 1 106 106 ALA N N 106 121.752 121.752 121.316 0.436 25573 3900 1 7 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.949 -0.682 25573 3901 1 7 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.377 -3.865 25573 3902 1 7 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.207 -2.159 25573 3903 1 7 . 1 1 106 106 ALA H H 106 8.071 8.071 7.811 0.260 25573 3904 1 7 . 1 1 107 107 GLU N N 107 119.133 119.133 118.606 0.527 25573 3905 1 7 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.007 -0.148 25573 3906 1 7 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.372 -2.037 25573 3907 1 7 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.829 -2.720 25573 3908 1 7 . 1 1 107 107 GLU H H 107 8.711 8.711 7.920 0.791 25573 3909 1 7 . 1 1 108 108 ASN N N 108 118.306 118.306 119.057 -0.751 25573 3910 1 7 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.492 0.109 25573 3911 1 7 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.042 -2.071 25573 3912 1 7 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.282 -2.830 25573 3913 1 7 . 1 1 108 108 ASN H H 108 8.045 8.045 8.465 -0.420 25573 3914 1 7 . 1 1 109 109 MET N N 109 120.038 120.038 119.522 0.516 25573 3915 1 7 . 1 1 109 109 MET HA H 109 4.305 4.305 4.238 0.067 25573 3916 1 7 . 1 1 109 109 MET CA C 109 55.602 55.602 58.168 -2.566 25573 3917 1 7 . 1 1 109 109 MET CB C 109 29.771 29.771 32.001 -2.230 25573 3918 1 7 . 1 1 109 109 MET H H 109 8.401 8.401 7.950 0.451 25573 3919 1 7 . 1 1 110 110 TYR N N 110 121.616 121.616 120.328 1.288 25573 3920 1 7 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.063 -0.400 25573 3921 1 7 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.028 -3.103 25573 3922 1 7 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.190 -2.264 25573 3923 1 7 . 1 1 110 110 TYR H H 110 8.651 8.651 8.278 0.373 25573 3924 1 7 . 1 1 111 111 SER N N 111 110.621 110.621 114.891 -4.270 25573 3925 1 7 . 1 1 111 111 SER HA H 111 4.540 4.540 4.177 0.363 25573 3926 1 7 . 1 1 111 111 SER CA C 111 58.395 58.395 61.378 -2.983 25573 3927 1 7 . 1 1 111 111 SER CB C 111 60.600 60.600 63.296 -2.696 25573 3928 1 7 . 1 1 111 111 SER H H 111 7.394 7.394 8.309 -0.915 25573 3929 1 7 . 1 1 112 112 GLN N N 112 125.643 125.643 121.102 4.541 25573 3930 1 7 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.085 -0.026 25573 3931 1 7 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.149 -2.066 25573 3932 1 7 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.505 -2.860 25573 3933 1 7 . 1 1 112 112 GLN H H 112 8.774 8.774 7.978 0.796 25573 3934 1 7 . 1 1 113 113 MET N N 113 114.866 114.866 116.654 -1.788 25573 3935 1 7 . 1 1 113 113 MET HA H 113 4.275 4.275 4.429 -0.154 25573 3936 1 7 . 1 1 113 113 MET CA C 113 53.246 53.246 55.763 -2.517 25573 3937 1 7 . 1 1 113 113 MET CB C 113 31.365 31.365 33.681 -2.316 25573 3938 1 7 . 1 1 113 113 MET H H 113 8.070 8.070 8.159 -0.089 25573 3939 1 7 . 1 1 114 114 GLY N N 114 107.252 107.252 106.604 0.648 25573 3940 1 7 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.245 -2.284 25573 3941 1 7 . 1 1 114 114 GLY H H 114 8.012 8.012 7.733 0.279 25573 3942 1 7 . 1 1 115 115 LEU N N 115 114.939 114.939 119.008 -4.069 25573 3943 1 7 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.136 -0.261 25573 3944 1 7 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.112 -1.903 25573 3945 1 7 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.500 -6.042 25573 3946 1 7 . 1 1 115 115 LEU H H 115 7.447 7.447 7.872 -0.425 25573 3947 1 7 . 1 1 116 116 ASP N N 116 116.423 116.423 118.427 -2.004 25573 3948 1 7 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.628 0.042 25573 3949 1 7 . 1 1 116 116 ASP CA C 116 52.303 52.303 55.435 -3.132 25573 3950 1 7 . 1 1 116 116 ASP CB C 116 37.319 37.319 41.907 -4.588 25573 3951 1 7 . 1 1 116 116 ASP H H 116 8.518 8.518 7.666 0.852 25573 3952 1 7 . 1 1 117 117 THR N N 117 113.582 113.582 110.909 2.673 25573 3953 1 7 . 1 1 117 117 THR HA H 117 4.194 4.194 4.384 -0.190 25573 3954 1 7 . 1 1 117 117 THR CA C 117 58.925 58.925 63.193 -4.268 25573 3955 1 7 . 1 1 117 117 THR CB C 117 67.320 67.320 69.982 -2.662 25573 3956 1 7 . 1 1 117 117 THR H H 117 7.240 7.240 8.292 -1.052 25573 3957 1 7 . 1 1 118 118 ARG N N 118 126.068 126.068 125.086 0.982 25573 3958 1 7 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.862 -0.296 25573 3959 1 7 . 1 1 118 118 ARG CA C 118 52.343 52.343 53.092 -0.749 25573 3960 1 7 . 1 1 118 118 ARG CB C 118 33.708 33.708 30.626 3.082 25573 3961 1 7 . 1 1 118 118 ARG H H 118 8.711 8.711 8.186 0.525 25573 3962 1 7 . 1 1 119 119 PRO HA H 119 2.078 2.078 5.065 -2.987 25573 3963 1 7 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.531 -2.488 25573 3964 1 7 . 1 1 120 120 SER N N 120 116.251 116.251 113.954 2.297 25573 3965 1 7 . 1 1 120 120 SER HA H 120 4.385 4.385 4.822 -0.437 25573 3966 1 7 . 1 1 120 120 SER CA C 120 55.352 55.352 57.698 -2.346 25573 3967 1 7 . 1 1 120 120 SER CB C 120 61.037 61.037 65.230 -4.193 25573 3968 1 7 . 1 1 120 120 SER H H 120 8.385 8.385 8.310 0.075 25573 3969 1 7 . 1 1 121 121 MET N N 121 123.171 123.171 121.544 1.627 25573 3970 1 7 . 1 1 121 121 MET HA H 121 4.289 4.289 4.625 -0.336 25573 3971 1 7 . 1 1 121 121 MET CA C 121 53.282 53.282 55.601 -2.319 25573 3972 1 7 . 1 1 121 121 MET CB C 121 30.755 30.755 33.730 -2.975 25573 3973 1 7 . 1 1 121 121 MET H H 121 8.297 8.297 8.619 -0.322 25573 3974 1 7 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.124 0.134 25573 3975 1 7 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.639 -3.970 25573 3976 1 7 . 1 1 123 123 GLU N N 123 122.135 122.135 117.112 5.023 25573 3977 1 7 . 1 1 123 123 GLU CA C 123 47.903 47.903 57.069 -9.166 25573 3978 1 7 . 1 1 123 123 GLU CB C 123 30.404 30.404 29.866 0.538 25573 3979 1 7 . 1 1 123 123 GLU H H 123 8.505 8.505 7.816 0.689 25573 3980 1 7 . 1 1 124 124 ALA N N 124 125.340 125.340 123.075 2.265 25573 3981 1 7 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.438 -0.107 25573 3982 1 7 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.133 -2.300 25573 3983 1 7 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.409 -3.744 25573 3984 1 7 . 1 1 124 124 ALA H H 124 8.422 8.422 8.173 0.249 25573 3985 1 7 . 1 1 125 125 GLY N N 125 108.426 108.426 110.065 -1.639 25573 3986 1 7 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.504 -2.763 25573 3987 1 7 . 1 1 125 125 GLY H H 125 8.401 8.401 9.562 -1.161 25573 3988 1 7 . 1 1 126 126 GLY N N 126 109.792 109.792 109.384 0.408 25573 3989 1 7 . 1 1 126 126 GLY CA C 126 42.247 42.247 45.237 -2.990 25573 3990 1 7 . 1 1 126 126 GLY H H 126 8.515 8.515 8.066 0.449 25573 3991 1 7 . 1 1 127 127 LYS N N 127 120.366 120.366 119.766 0.600 25573 3992 1 7 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.488 -0.167 25573 3993 1 7 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.442 -1.898 25573 3994 1 7 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.916 -3.563 25573 3995 1 7 . 1 1 127 127 LYS H H 127 8.244 8.244 8.562 -0.318 25573 3996 1 7 . 1 1 128 128 GLU N N 128 122.270 122.270 122.018 0.252 25573 3997 1 7 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.471 -0.427 25573 3998 1 7 . 1 1 128 128 GLU H H 128 8.559 8.559 8.438 0.121 25573 3999 1 7 . 1 1 129 129 GLU N N 129 122.282 122.282 124.372 -2.090 25573 4000 1 7 . 1 1 129 129 GLU CA C 129 56.536 56.536 55.696 0.840 25573 4001 1 7 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.744 -1.555 25573 4002 1 7 . 1 1 129 129 GLU H H 129 8.027 8.027 8.323 -0.296 25573 4003 1 7 . 1 1 130 130 GLY N N 130 110.258 110.258 110.689 -0.431 25573 4004 1 7 . 1 1 130 130 GLY CA C 130 41.661 41.661 43.841 -2.180 25573 4005 1 7 . 1 1 130 130 GLY H H 130 10.190 10.190 8.481 1.709 25573 4006 1 7 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.260 0.119 25573 4007 1 7 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.896 -3.427 25573 4008 1 7 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.146 -2.915 25573 4009 1 7 . 1 1 133 133 GLN N N 133 119.932 119.932 118.101 1.831 25573 4010 1 7 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.038 0.281 25573 4011 1 7 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.527 -2.278 25573 4012 1 7 . 1 1 133 133 GLN CB C 133 29.655 29.655 27.810 1.845 25573 4013 1 7 . 1 1 133 133 GLN H H 133 8.478 8.478 8.336 0.142 25573 4014 1 7 . 1 1 134 134 ALA N N 134 124.828 124.828 124.175 0.653 25573 4015 1 7 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.338 -0.089 25573 4016 1 7 . 1 1 134 134 ALA CA C 134 49.692 49.692 51.282 -1.590 25573 4017 1 7 . 1 1 134 134 ALA CB C 134 16.024 16.024 20.955 -4.931 25573 4018 1 7 . 1 1 134 134 ALA H H 134 8.263 8.263 7.727 0.536 25573 4019 1 8 . 1 1 3 3 ASN N N 3 119.366 119.366 119.183 0.183 25573 4020 1 8 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.517 0.066 25573 4021 1 8 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.432 -2.041 25573 4022 1 8 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.378 -2.666 25573 4023 1 8 . 1 1 3 3 ASN H H 3 8.596 8.596 8.609 -0.013 25573 4024 1 8 . 1 1 4 4 GLY N N 4 112.829 112.829 108.980 3.849 25573 4025 1 8 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.992 -2.290 25573 4026 1 8 . 1 1 4 4 GLY H H 4 8.073 8.073 8.338 -0.265 25573 4027 1 8 . 1 1 5 5 ALA N N 5 123.630 123.630 122.892 0.738 25573 4028 1 8 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.686 -0.283 25573 4029 1 8 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.423 -2.783 25573 4030 1 8 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.749 -3.335 25573 4031 1 8 . 1 1 5 5 ALA H H 5 8.008 8.008 8.205 -0.197 25573 4032 1 8 . 1 1 6 6 SER N N 6 114.866 114.866 114.804 0.062 25573 4033 1 8 . 1 1 6 6 SER HA H 6 4.270 4.270 4.381 -0.111 25573 4034 1 8 . 1 1 6 6 SER CA C 6 56.023 56.023 58.295 -2.272 25573 4035 1 8 . 1 1 6 6 SER CB C 6 60.936 60.936 62.961 -2.025 25573 4036 1 8 . 1 1 6 6 SER H H 6 8.293 8.293 8.396 -0.103 25573 4037 1 8 . 1 1 7 7 ARG N N 7 119.250 119.250 121.684 -2.434 25573 4038 1 8 . 1 1 7 7 ARG CA C 7 59.506 59.506 58.685 0.821 25573 4039 1 8 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.121 0.301 25573 4040 1 8 . 1 1 7 7 ARG H H 7 8.305 8.305 8.689 -0.384 25573 4041 1 8 . 1 1 8 8 ASP N N 8 119.662 119.662 119.677 -0.015 25573 4042 1 8 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.465 -0.312 25573 4043 1 8 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.827 -1.273 25573 4044 1 8 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.684 -14.183 25573 4045 1 8 . 1 1 8 8 ASP H H 8 7.915 7.915 8.788 -0.873 25573 4046 1 8 . 1 1 9 9 TRP N N 9 121.861 121.861 121.975 -0.114 25573 4047 1 8 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.510 -0.394 25573 4048 1 8 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.950 -3.988 25573 4049 1 8 . 1 1 9 9 TRP CB C 9 28.022 28.022 30.169 -2.147 25573 4050 1 8 . 1 1 9 9 TRP H H 9 8.222 8.222 7.606 0.616 25573 4051 1 8 . 1 1 10 10 LYS N N 10 118.681 118.681 120.430 -1.749 25573 4052 1 8 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.899 0.383 25573 4053 1 8 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.801 -0.902 25573 4054 1 8 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.440 -4.401 25573 4055 1 8 . 1 1 10 10 LYS H H 10 8.003 8.003 8.242 -0.239 25573 4056 1 8 . 1 1 11 11 MET N N 11 119.366 119.366 118.298 1.068 25573 4057 1 8 . 1 1 11 11 MET HA H 11 4.559 4.559 4.167 0.392 25573 4058 1 8 . 1 1 11 11 MET CA C 11 53.485 53.485 58.215 -4.730 25573 4059 1 8 . 1 1 11 11 MET H H 11 8.041 8.041 8.333 -0.292 25573 4060 1 8 . 1 1 12 12 ALA N N 12 122.650 122.650 122.616 0.034 25573 4061 1 8 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.012 0.197 25573 4062 1 8 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.928 4.871 25573 4063 1 8 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.215 -0.443 25573 4064 1 8 . 1 1 12 12 ALA H H 12 7.904 7.904 7.780 0.124 25573 4065 1 8 . 1 1 13 13 ILE N N 13 117.322 117.322 117.431 -0.109 25573 4066 1 8 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.676 1.902 25573 4067 1 8 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.733 -7.830 25573 4068 1 8 . 1 1 13 13 ILE H H 13 8.380 8.380 7.834 0.546 25573 4069 1 8 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.580 1.336 25573 4070 1 8 . 1 1 16 16 CYS N N 16 116.263 116.263 120.436 -4.173 25573 4071 1 8 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.263 -0.218 25573 4072 1 8 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.890 -2.106 25573 4073 1 8 . 1 1 16 16 CYS CB C 16 28.810 28.810 25.866 2.944 25573 4074 1 8 . 1 1 16 16 CYS H H 16 7.799 7.799 8.075 -0.276 25573 4075 1 8 . 1 1 17 17 SER N N 17 114.606 114.606 116.652 -2.046 25573 4076 1 8 . 1 1 17 17 SER HA H 17 4.952 4.952 4.472 0.480 25573 4077 1 8 . 1 1 17 17 SER CA C 17 58.171 58.171 61.238 -3.067 25573 4078 1 8 . 1 1 17 17 SER CB C 17 60.740 60.740 63.270 -2.530 25573 4079 1 8 . 1 1 17 17 SER H H 17 7.830 7.830 8.279 -0.449 25573 4080 1 8 . 1 1 18 18 ASN N N 18 116.143 116.143 119.311 -3.168 25573 4081 1 8 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.867 0.141 25573 4082 1 8 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.691 -2.216 25573 4083 1 8 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.373 -1.084 25573 4084 1 8 . 1 1 18 18 ASN H H 18 7.557 7.557 7.938 -0.381 25573 4085 1 8 . 1 1 19 19 VAL N N 19 121.616 121.616 120.670 0.946 25573 4086 1 8 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.210 -0.711 25573 4087 1 8 . 1 1 19 19 VAL CA C 19 59.730 59.730 59.913 -0.183 25573 4088 1 8 . 1 1 19 19 VAL CB C 19 29.042 29.042 33.633 -4.591 25573 4089 1 8 . 1 1 19 19 VAL H H 19 7.919 7.919 7.699 0.220 25573 4090 1 8 . 1 1 20 20 ALA N N 20 129.139 129.139 130.142 -1.003 25573 4091 1 8 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.818 -0.023 25573 4092 1 8 . 1 1 20 20 ALA C C 20 169.500 169.500 177.682 -8.182 25573 4093 1 8 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.560 -0.145 25573 4094 1 8 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.992 -4.276 25573 4095 1 8 . 1 1 20 20 ALA H H 20 8.150 8.150 7.923 0.227 25573 4096 1 8 . 1 1 21 21 VAL N N 21 120.390 120.390 119.841 0.549 25573 4097 1 8 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.758 0.009 25573 4098 1 8 . 1 1 21 21 VAL CA C 21 63.578 63.578 65.708 -2.130 25573 4099 1 8 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.817 -2.071 25573 4100 1 8 . 1 1 21 21 VAL H H 21 8.319 8.319 8.542 -0.223 25573 4101 1 8 . 1 1 22 22 GLY N N 22 108.884 108.884 104.094 4.790 25573 4102 1 8 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.942 -2.974 25573 4103 1 8 . 1 1 22 22 GLY H H 22 8.221 8.221 7.429 0.792 25573 4104 1 8 . 1 1 23 23 VAL N N 23 117.439 117.439 118.952 -1.513 25573 4105 1 8 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.080 0.158 25573 4106 1 8 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.607 -4.519 25573 4107 1 8 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.179 -1.745 25573 4108 1 8 . 1 1 23 23 VAL H H 23 8.003 8.003 8.380 -0.377 25573 4109 1 8 . 1 1 24 24 GLY N N 24 112.616 112.616 108.562 4.054 25573 4110 1 8 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.968 -2.189 25573 4111 1 8 . 1 1 24 24 GLY H H 24 8.716 8.716 7.831 0.885 25573 4112 1 8 . 1 1 25 25 GLY N N 25 108.753 108.753 109.781 -1.028 25573 4113 1 8 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.010 -3.010 25573 4114 1 8 . 1 1 25 25 GLY H H 25 8.286 8.286 8.151 0.135 25573 4115 1 8 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.013 0.363 25573 4116 1 8 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.893 -3.381 25573 4117 1 8 . 1 1 27 27 SER HA H 27 4.922 4.922 4.398 0.524 25573 4118 1 8 . 1 1 27 27 SER CA C 27 56.876 56.876 58.405 -1.529 25573 4119 1 8 . 1 1 27 27 SER CB C 27 64.578 64.578 62.615 1.963 25573 4120 1 8 . 1 1 27 27 SER H H 27 7.831 7.831 8.618 -0.787 25573 4121 1 8 . 1 1 28 28 LYS N N 28 122.919 122.919 124.927 -2.008 25573 4122 1 8 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.482 -0.298 25573 4123 1 8 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.449 1.090 25573 4124 1 8 . 1 1 28 28 LYS CB C 28 33.366 33.366 32.877 0.489 25573 4125 1 8 . 1 1 28 28 LYS H H 28 8.589 8.589 7.744 0.845 25573 4126 1 8 . 1 1 29 29 LYS N N 29 120.917 120.917 121.630 -0.713 25573 4127 1 8 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.843 -0.460 25573 4128 1 8 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.335 -0.800 25573 4129 1 8 . 1 1 29 29 LYS CB C 29 32.076 32.076 35.234 -3.159 25573 4130 1 8 . 1 1 29 29 LYS H H 29 8.471 8.471 7.991 0.480 25573 4131 1 8 . 1 1 30 30 PHE N N 30 119.366 119.366 117.847 1.519 25573 4132 1 8 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.623 -0.765 25573 4133 1 8 . 1 1 30 30 PHE CA C 30 58.172 58.172 55.901 2.271 25573 4134 1 8 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.942 -2.700 25573 4135 1 8 . 1 1 30 30 PHE H H 30 8.000 8.000 7.980 0.020 25573 4136 1 8 . 1 1 31 31 GLY N N 31 106.991 106.991 104.797 2.194 25573 4137 1 8 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.196 -3.260 25573 4138 1 8 . 1 1 31 31 GLY H H 31 8.404 8.404 7.771 0.633 25573 4139 1 8 . 1 1 32 32 GLU N N 32 120.491 120.491 120.502 -0.011 25573 4140 1 8 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.996 0.116 25573 4141 1 8 . 1 1 32 32 GLU CA C 32 58.171 58.171 60.264 -2.093 25573 4142 1 8 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.372 -2.066 25573 4143 1 8 . 1 1 32 32 GLU H H 32 9.168 9.168 8.578 0.590 25573 4144 1 8 . 1 1 33 33 GLY N N 33 109.241 109.241 105.903 3.338 25573 4145 1 8 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.866 -3.275 25573 4146 1 8 . 1 1 33 33 GLY H H 33 8.613 8.613 8.500 0.113 25573 4147 1 8 . 1 1 34 34 ASN N N 34 118.241 118.241 119.721 -1.480 25573 4148 1 8 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.380 -0.342 25573 4149 1 8 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.064 -1.601 25573 4150 1 8 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.506 -2.112 25573 4151 1 8 . 1 1 34 34 ASN H H 34 7.897 7.897 7.096 0.801 25573 4152 1 8 . 1 1 35 35 PHE N N 35 117.116 117.116 118.978 -1.862 25573 4153 1 8 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.127 -0.039 25573 4154 1 8 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.748 -1.437 25573 4155 1 8 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.705 -1.877 25573 4156 1 8 . 1 1 35 35 PHE H H 35 7.180 7.180 7.390 -0.210 25573 4157 1 8 . 1 1 36 36 ARG N N 36 117.825 117.825 118.617 -0.792 25573 4158 1 8 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.031 -0.459 25573 4159 1 8 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.195 -0.953 25573 4160 1 8 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.043 4.954 25573 4161 1 8 . 1 1 36 36 ARG H H 36 8.278 8.278 8.258 0.020 25573 4162 1 8 . 1 1 37 37 TRP N N 37 118.845 118.845 122.330 -3.485 25573 4163 1 8 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.248 -0.114 25573 4164 1 8 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.020 -2.120 25573 4165 1 8 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.446 -1.997 25573 4166 1 8 . 1 1 37 37 TRP H H 37 8.106 8.106 7.944 0.162 25573 4167 1 8 . 1 1 38 38 ALA N N 38 119.609 119.609 122.916 -3.307 25573 4168 1 8 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.725 0.704 25573 4169 1 8 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.877 -1.983 25573 4170 1 8 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.692 -2.293 25573 4171 1 8 . 1 1 38 38 ALA H H 38 8.332 8.332 8.122 0.210 25573 4172 1 8 . 1 1 39 39 ILE N N 39 114.866 114.866 119.322 -4.456 25573 4173 1 8 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.505 0.859 25573 4174 1 8 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.027 -10.443 25573 4175 1 8 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.687 -6.195 25573 4176 1 8 . 1 1 39 39 ILE H H 39 8.161 8.161 8.579 -0.418 25573 4177 1 8 . 1 1 40 40 ARG N N 40 120.240 120.240 117.756 2.484 25573 4178 1 8 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.834 0.232 25573 4179 1 8 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.399 -2.760 25573 4180 1 8 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.867 -0.058 25573 4181 1 8 . 1 1 40 40 ARG H H 40 8.446 8.446 8.193 0.253 25573 4182 1 8 . 1 1 41 41 MET HA H 41 4.305 4.305 3.898 0.407 25573 4183 1 8 . 1 1 41 41 MET CA C 41 53.585 53.585 58.684 -5.099 25573 4184 1 8 . 1 1 41 41 MET CB C 41 29.902 29.902 31.953 -2.051 25573 4185 1 8 . 1 1 42 42 ALA N N 42 122.782 122.782 120.578 2.204 25573 4186 1 8 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.961 0.587 25573 4187 1 8 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.924 -2.648 25573 4188 1 8 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.288 -1.428 25573 4189 1 8 . 1 1 42 42 ALA H H 42 8.556 8.556 7.802 0.754 25573 4190 1 8 . 1 1 43 43 ASN N N 43 119.366 119.366 117.038 2.328 25573 4191 1 8 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.487 0.207 25573 4192 1 8 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.714 -5.377 25573 4193 1 8 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.412 -2.721 25573 4194 1 8 . 1 1 43 43 ASN H H 43 8.613 8.613 8.269 0.344 25573 4195 1 8 . 1 1 44 44 VAL N N 44 118.466 118.466 119.049 -0.583 25573 4196 1 8 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.988 -0.089 25573 4197 1 8 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.666 -2.572 25573 4198 1 8 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.590 -2.669 25573 4199 1 8 . 1 1 44 44 VAL H H 44 8.464 8.464 7.870 0.594 25573 4200 1 8 . 1 1 45 45 SER N N 45 113.763 113.763 115.872 -2.109 25573 4201 1 8 . 1 1 45 45 SER HA H 45 4.328 4.328 4.102 0.226 25573 4202 1 8 . 1 1 45 45 SER CA C 45 58.553 58.553 61.909 -3.356 25573 4203 1 8 . 1 1 45 45 SER CB C 45 61.343 61.343 63.577 -2.234 25573 4204 1 8 . 1 1 45 45 SER H H 45 7.963 7.963 8.029 -0.066 25573 4205 1 8 . 1 1 46 46 THR N N 46 106.729 106.729 109.080 -2.351 25573 4206 1 8 . 1 1 46 46 THR HA H 46 4.602 4.602 4.599 0.003 25573 4207 1 8 . 1 1 46 46 THR CA C 46 58.026 58.026 60.327 -2.301 25573 4208 1 8 . 1 1 46 46 THR CB C 46 67.285 67.285 68.105 -0.820 25573 4209 1 8 . 1 1 46 46 THR H H 46 7.560 7.560 7.825 -0.265 25573 4210 1 8 . 1 1 47 47 GLY N N 47 109.384 109.384 109.408 -0.024 25573 4211 1 8 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.940 -2.131 25573 4212 1 8 . 1 1 47 47 GLY H H 47 7.539 7.539 7.802 -0.263 25573 4213 1 8 . 1 1 48 48 ARG N N 48 120.563 120.563 120.182 0.381 25573 4214 1 8 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.996 0.357 25573 4215 1 8 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.773 -4.434 25573 4216 1 8 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.183 0.577 25573 4217 1 8 . 1 1 48 48 ARG H H 48 8.220 8.220 7.712 0.508 25573 4218 1 8 . 1 1 49 49 GLU N N 49 122.874 122.874 118.790 4.084 25573 4219 1 8 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.488 -0.166 25573 4220 1 8 . 1 1 49 49 GLU CA C 49 54.134 54.134 55.451 -1.317 25573 4221 1 8 . 1 1 49 49 GLU CB C 49 29.104 29.104 30.237 -1.133 25573 4222 1 8 . 1 1 49 49 GLU H H 49 8.661 8.661 7.754 0.907 25573 4223 1 8 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.459 2.435 25573 4224 1 8 . 1 1 51 51 GLY N N 51 102.859 102.859 108.893 -6.034 25573 4225 1 8 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.923 -2.846 25573 4226 1 8 . 1 1 51 51 GLY H H 51 8.368 8.368 8.325 0.043 25573 4227 1 8 . 1 1 52 52 ASP N N 52 120.491 120.491 119.696 0.795 25573 4228 1 8 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.540 -0.160 25573 4229 1 8 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.447 -2.766 25573 4230 1 8 . 1 1 52 52 ASP CB C 52 37.801 37.801 44.109 -6.308 25573 4231 1 8 . 1 1 52 52 ASP H H 52 7.204 7.204 7.595 -0.391 25573 4232 1 8 . 1 1 53 53 ILE N N 53 127.662 127.662 123.486 4.176 25573 4233 1 8 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.482 0.048 25573 4234 1 8 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.505 -4.378 25573 4235 1 8 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.728 -3.233 25573 4236 1 8 . 1 1 53 53 ILE H H 53 8.255 8.255 8.181 0.074 25573 4237 1 8 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.496 -0.010 25573 4238 1 8 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.706 -2.587 25573 4239 1 8 . 1 1 54 54 PRO CB C 54 28.795 28.795 31.523 -2.728 25573 4240 1 8 . 1 1 55 55 GLU N N 55 117.116 117.116 124.305 -7.189 25573 4241 1 8 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.409 0.097 25573 4242 1 8 . 1 1 55 55 GLU CA C 55 54.283 54.283 55.731 -1.448 25573 4243 1 8 . 1 1 55 55 GLU CB C 55 29.682 29.682 27.713 1.969 25573 4244 1 8 . 1 1 55 55 GLU H H 55 8.580 8.580 8.693 -0.113 25573 4245 1 8 . 1 1 56 56 THR N N 56 105.122 105.122 111.852 -6.730 25573 4246 1 8 . 1 1 56 56 THR HA H 56 4.832 4.832 4.673 0.159 25573 4247 1 8 . 1 1 56 56 THR CA C 56 55.381 55.381 59.774 -4.393 25573 4248 1 8 . 1 1 56 56 THR CB C 56 70.771 70.771 71.833 -1.062 25573 4249 1 8 . 1 1 56 56 THR H H 56 7.367 7.367 7.995 -0.628 25573 4250 1 8 . 1 1 57 57 LEU N N 57 122.564 122.564 126.466 -3.902 25573 4251 1 8 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.994 0.438 25573 4252 1 8 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.119 -2.710 25573 4253 1 8 . 1 1 57 57 LEU CB C 57 37.861 37.861 40.941 -3.080 25573 4254 1 8 . 1 1 57 57 LEU H H 57 9.222 9.222 8.999 0.223 25573 4255 1 8 . 1 1 58 58 ASP N N 58 119.366 119.366 118.404 0.962 25573 4256 1 8 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.581 0.699 25573 4257 1 8 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.349 -2.992 25573 4258 1 8 . 1 1 58 58 ASP H H 58 8.570 8.570 8.448 0.122 25573 4259 1 8 . 1 1 59 59 GLN N N 59 118.241 118.241 119.693 -1.452 25573 4260 1 8 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.156 -0.124 25573 4261 1 8 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.253 -2.336 25573 4262 1 8 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.531 -2.457 25573 4263 1 8 . 1 1 59 59 GLN H H 59 7.823 7.823 7.668 0.155 25573 4264 1 8 . 1 1 60 60 LEU N N 60 121.691 121.691 120.670 1.021 25573 4265 1 8 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.941 0.138 25573 4266 1 8 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.521 -3.250 25573 4267 1 8 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.812 5.825 25573 4268 1 8 . 1 1 60 60 LEU H H 60 8.187 8.187 8.400 -0.213 25573 4269 1 8 . 1 1 61 61 ARG N N 61 117.960 117.960 119.155 -1.195 25573 4270 1 8 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.087 -0.021 25573 4271 1 8 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.483 -3.301 25573 4272 1 8 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.003 -1.087 25573 4273 1 8 . 1 1 61 61 ARG H H 61 9.133 9.133 7.960 1.173 25573 4274 1 8 . 1 1 62 62 LEU N N 62 118.408 118.408 119.582 -1.174 25573 4275 1 8 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.175 -0.149 25573 4276 1 8 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.533 -1.453 25573 4277 1 8 . 1 1 62 62 LEU CB C 62 38.364 38.364 40.929 -2.565 25573 4278 1 8 . 1 1 62 62 LEU H H 62 7.817 7.817 7.841 -0.024 25573 4279 1 8 . 1 1 63 63 VAL N N 63 119.177 119.177 121.146 -1.969 25573 4280 1 8 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.785 -0.248 25573 4281 1 8 . 1 1 63 63 VAL CA C 63 64.501 64.501 65.518 -1.017 25573 4282 1 8 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.019 -2.135 25573 4283 1 8 . 1 1 63 63 VAL H H 63 7.368 7.368 7.779 -0.411 25573 4284 1 8 . 1 1 64 64 ILE N N 64 119.068 119.068 120.379 -1.311 25573 4285 1 8 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.616 -0.076 25573 4286 1 8 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.154 -0.673 25573 4287 1 8 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.943 -3.231 25573 4288 1 8 . 1 1 64 64 ILE H H 64 8.320 8.320 7.743 0.577 25573 4289 1 8 . 1 1 65 65 CYS N N 65 119.131 119.131 118.146 0.985 25573 4290 1 8 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.007 0.323 25573 4291 1 8 . 1 1 65 65 CYS CA C 65 60.908 60.908 65.073 -4.165 25573 4292 1 8 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.579 -2.687 25573 4293 1 8 . 1 1 65 65 CYS H H 65 9.076 9.076 7.906 1.170 25573 4294 1 8 . 1 1 66 66 ASP N N 66 120.537 120.537 121.063 -0.526 25573 4295 1 8 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.431 -0.119 25573 4296 1 8 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.002 0.762 25573 4297 1 8 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.799 -2.614 25573 4298 1 8 . 1 1 66 66 ASP H H 66 8.512 8.512 7.995 0.517 25573 4299 1 8 . 1 1 67 67 LEU N N 67 119.364 119.364 121.546 -2.182 25573 4300 1 8 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.974 -0.004 25573 4301 1 8 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.631 -1.645 25573 4302 1 8 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.104 -9.358 25573 4303 1 8 . 1 1 67 67 LEU H H 67 8.971 8.971 8.495 0.476 25573 4304 1 8 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.099 0.330 25573 4305 1 8 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.297 -3.532 25573 4306 1 8 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.575 0.226 25573 4307 1 8 . 1 1 70 70 ARG N N 70 122.186 122.186 119.605 2.581 25573 4308 1 8 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.039 0.447 25573 4309 1 8 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.598 -7.065 25573 4310 1 8 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.243 0.098 25573 4311 1 8 . 1 1 70 70 ARG H H 70 8.345 8.345 7.787 0.558 25573 4312 1 8 . 1 1 71 71 ARG N N 71 121.616 121.616 118.025 3.591 25573 4313 1 8 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.043 -1.419 25573 4314 1 8 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.725 -4.546 25573 4315 1 8 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.482 0.525 25573 4316 1 8 . 1 1 71 71 ARG H H 71 8.480 8.480 8.711 -0.231 25573 4317 1 8 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.046 0.026 25573 4318 1 8 . 1 1 73 73 LYS CA C 73 55.976 55.976 59.147 -3.171 25573 4319 1 8 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.382 -1.630 25573 4320 1 8 . 1 1 74 74 PHE N N 74 115.001 115.001 117.371 -2.370 25573 4321 1 8 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.343 0.479 25573 4322 1 8 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.992 -3.871 25573 4323 1 8 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.789 -3.202 25573 4324 1 8 . 1 1 74 74 PHE H H 74 8.530 8.530 7.746 0.784 25573 4325 1 8 . 1 1 75 75 GLY N N 75 110.366 110.366 106.309 4.057 25573 4326 1 8 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.372 -2.368 25573 4327 1 8 . 1 1 75 75 GLY H H 75 7.799 7.799 7.596 0.203 25573 4328 1 8 . 1 1 76 76 SER N N 76 113.283 113.283 114.467 -1.184 25573 4329 1 8 . 1 1 76 76 SER HA H 76 4.523 4.523 4.821 -0.298 25573 4330 1 8 . 1 1 76 76 SER CA C 76 54.361 54.361 57.733 -3.372 25573 4331 1 8 . 1 1 76 76 SER CB C 76 61.887 61.887 63.831 -1.944 25573 4332 1 8 . 1 1 76 76 SER H H 76 8.417 8.417 8.372 0.045 25573 4333 1 8 . 1 1 77 77 SER N N 77 114.950 114.950 118.075 -3.125 25573 4334 1 8 . 1 1 77 77 SER HA H 77 4.535 4.535 4.681 -0.146 25573 4335 1 8 . 1 1 77 77 SER CA C 77 53.833 53.833 57.166 -3.333 25573 4336 1 8 . 1 1 77 77 SER CB C 77 63.488 63.488 65.203 -1.715 25573 4337 1 8 . 1 1 77 77 SER H H 77 8.428 8.428 8.112 0.316 25573 4338 1 8 . 1 1 78 78 LYS N N 78 122.032 122.032 123.544 -1.512 25573 4339 1 8 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.950 0.725 25573 4340 1 8 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.962 -5.835 25573 4341 1 8 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.306 -3.071 25573 4342 1 8 . 1 1 78 78 LYS H H 78 9.044 9.044 8.871 0.173 25573 4343 1 8 . 1 1 79 79 GLU N N 79 118.232 118.232 118.662 -0.430 25573 4344 1 8 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.221 0.071 25573 4345 1 8 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.834 -1.730 25573 4346 1 8 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.447 -2.601 25573 4347 1 8 . 1 1 79 79 GLU H H 79 8.795 8.795 8.029 0.766 25573 4348 1 8 . 1 1 80 80 ILE N N 80 120.491 120.491 120.648 -0.157 25573 4349 1 8 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.692 0.037 25573 4350 1 8 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.520 -3.054 25573 4351 1 8 . 1 1 80 80 ILE CB C 80 36.109 36.109 38.071 -1.962 25573 4352 1 8 . 1 1 80 80 ILE H H 80 7.892 7.892 7.745 0.147 25573 4353 1 8 . 1 1 81 81 ASP N N 81 120.491 120.491 119.862 0.629 25573 4354 1 8 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.307 -0.001 25573 4355 1 8 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.620 -2.246 25573 4356 1 8 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.957 -3.581 25573 4357 1 8 . 1 1 81 81 ASP H H 81 8.424 8.424 8.331 0.093 25573 4358 1 8 . 1 1 82 82 MET N N 82 118.588 118.588 118.236 0.352 25573 4359 1 8 . 1 1 82 82 MET HA H 82 4.610 4.610 4.052 0.558 25573 4360 1 8 . 1 1 82 82 MET CA C 82 54.472 54.472 59.111 -4.639 25573 4361 1 8 . 1 1 82 82 MET CB C 82 29.557 29.557 32.596 -3.039 25573 4362 1 8 . 1 1 82 82 MET H H 82 8.215 8.215 7.909 0.306 25573 4363 1 8 . 1 1 83 83 ALA N N 83 127.525 127.525 123.155 4.370 25573 4364 1 8 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.185 -0.086 25573 4365 1 8 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.007 -1.099 25573 4366 1 8 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.158 -3.348 25573 4367 1 8 . 1 1 83 83 ALA H H 83 10.165 10.165 7.783 2.382 25573 4368 1 8 . 1 1 84 84 ILE N N 84 115.968 115.968 119.351 -3.383 25573 4369 1 8 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.748 -0.214 25573 4370 1 8 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.385 -1.008 25573 4371 1 8 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.912 -2.495 25573 4372 1 8 . 1 1 84 84 ILE H H 84 8.437 8.437 7.722 0.715 25573 4373 1 8 . 1 1 85 85 VAL N N 85 117.106 117.106 117.425 -0.319 25573 4374 1 8 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.729 0.316 25573 4375 1 8 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.227 -10.302 25573 4376 1 8 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.180 -0.995 25573 4377 1 8 . 1 1 85 85 VAL H H 85 7.835 7.835 7.822 0.012 25573 4378 1 8 . 1 1 86 86 THR N N 86 116.673 116.673 115.497 1.176 25573 4379 1 8 . 1 1 86 86 THR HA H 86 4.181 4.181 4.162 0.019 25573 4380 1 8 . 1 1 86 86 THR CA C 86 59.627 59.627 66.656 -7.029 25573 4381 1 8 . 1 1 86 86 THR CB C 86 65.856 65.856 68.730 -2.873 25573 4382 1 8 . 1 1 86 86 THR H H 86 8.254 8.254 8.442 -0.188 25573 4383 1 8 . 1 1 87 87 LEU N N 87 121.447 121.447 122.162 -0.715 25573 4384 1 8 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.088 0.494 25573 4385 1 8 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.660 -0.804 25573 4386 1 8 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.672 -9.847 25573 4387 1 8 . 1 1 87 87 LEU H H 87 7.913 7.913 7.874 0.039 25573 4388 1 8 . 1 1 88 88 LYS N N 88 119.505 119.505 120.311 -0.806 25573 4389 1 8 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.726 0.415 25573 4390 1 8 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.656 -3.586 25573 4391 1 8 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.444 -2.557 25573 4392 1 8 . 1 1 88 88 LYS H H 88 7.970 7.970 7.739 0.231 25573 4393 1 8 . 1 1 89 89 VAL N N 89 119.366 119.366 119.303 0.063 25573 4394 1 8 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.613 0.207 25573 4395 1 8 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.903 -9.947 25573 4396 1 8 . 1 1 89 89 VAL H H 89 8.082 8.082 8.396 -0.314 25573 4397 1 8 . 1 1 90 90 PHE N N 90 119.366 119.366 119.999 -0.633 25573 4398 1 8 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.974 0.450 25573 4399 1 8 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.471 -4.319 25573 4400 1 8 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.349 -2.719 25573 4401 1 8 . 1 1 90 90 PHE H H 90 8.104 8.104 8.599 -0.495 25573 4402 1 8 . 1 1 91 91 ALA N N 91 118.916 118.916 121.801 -2.885 25573 4403 1 8 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.678 0.838 25573 4404 1 8 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.961 -0.549 25573 4405 1 8 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.047 -2.157 25573 4406 1 8 . 1 1 91 91 ALA H H 91 8.187 8.187 7.515 0.672 25573 4407 1 8 . 1 1 92 92 VAL N N 92 113.741 113.741 118.821 -5.080 25573 4408 1 8 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.770 -0.183 25573 4409 1 8 . 1 1 92 92 VAL CA C 92 63.579 63.579 64.820 -1.241 25573 4410 1 8 . 1 1 92 92 VAL CB C 92 30.792 30.792 30.935 -0.143 25573 4411 1 8 . 1 1 92 92 VAL H H 92 8.196 8.196 7.893 0.303 25573 4412 1 8 . 1 1 93 93 ALA N N 93 119.366 119.366 120.906 -1.540 25573 4413 1 8 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.110 0.584 25573 4414 1 8 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.619 -4.338 25573 4415 1 8 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.101 -1.386 25573 4416 1 8 . 1 1 93 93 ALA H H 93 8.564 8.564 8.321 0.243 25573 4417 1 8 . 1 1 94 94 GLY N N 94 104.958 104.958 106.205 -1.247 25573 4418 1 8 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.641 -1.717 25573 4419 1 8 . 1 1 94 94 GLY H H 94 6.940 6.940 7.484 -0.544 25573 4420 1 8 . 1 1 95 95 LEU N N 95 120.679 120.679 121.737 -1.058 25573 4421 1 8 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.974 0.031 25573 4422 1 8 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.236 -2.832 25573 4423 1 8 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.813 -3.588 25573 4424 1 8 . 1 1 95 95 LEU H H 95 7.724 7.724 7.503 0.221 25573 4425 1 8 . 1 1 96 96 LEU N N 96 115.261 115.261 116.430 -1.169 25573 4426 1 8 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.269 0.006 25573 4427 1 8 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.656 -2.386 25573 4428 1 8 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.103 -3.417 25573 4429 1 8 . 1 1 96 96 LEU H H 96 7.723 7.723 7.713 0.010 25573 4430 1 8 . 1 1 97 97 ASN N N 97 112.672 112.672 114.731 -2.059 25573 4431 1 8 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.514 -0.273 25573 4432 1 8 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.561 -3.361 25573 4433 1 8 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.793 -2.348 25573 4434 1 8 . 1 1 97 97 ASN H H 97 6.694 6.694 7.531 -0.837 25573 4435 1 8 . 1 1 98 98 MET N N 98 115.968 115.968 118.814 -2.846 25573 4436 1 8 . 1 1 98 98 MET HA H 98 4.614 4.614 4.365 0.249 25573 4437 1 8 . 1 1 98 98 MET CA C 98 51.685 51.685 56.908 -5.223 25573 4438 1 8 . 1 1 98 98 MET CB C 98 29.808 29.808 33.520 -3.712 25573 4439 1 8 . 1 1 98 98 MET H H 98 8.168 8.168 7.775 0.393 25573 4440 1 8 . 1 1 99 99 THR N N 99 118.683 118.683 114.343 4.340 25573 4441 1 8 . 1 1 99 99 THR HA H 99 4.184 4.184 4.512 -0.328 25573 4442 1 8 . 1 1 99 99 THR CA C 99 59.813 59.813 60.562 -0.749 25573 4443 1 8 . 1 1 99 99 THR CB C 99 65.438 65.438 68.133 -2.696 25573 4444 1 8 . 1 1 99 99 THR H H 99 8.562 8.562 8.208 0.354 25573 4445 1 8 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.271 -0.152 25573 4446 1 8 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.976 -5.274 25573 4447 1 8 . 1 1 100 100 VAL H H 100 8.392 8.392 7.992 0.400 25573 4448 1 8 . 1 1 101 101 SER N N 101 121.736 121.736 120.120 1.616 25573 4449 1 8 . 1 1 101 101 SER HA H 101 4.645 4.645 4.952 -0.307 25573 4450 1 8 . 1 1 101 101 SER CA C 101 56.852 56.852 58.604 -1.752 25573 4451 1 8 . 1 1 101 101 SER CB C 101 61.739 61.739 63.778 -2.039 25573 4452 1 8 . 1 1 101 101 SER H H 101 8.079 8.079 8.796 -0.717 25573 4453 1 8 . 1 1 102 102 THR N N 102 110.147 110.147 110.160 -0.013 25573 4454 1 8 . 1 1 102 102 THR HA H 102 5.450 5.450 4.893 0.557 25573 4455 1 8 . 1 1 102 102 THR CA C 102 56.522 56.522 60.306 -3.784 25573 4456 1 8 . 1 1 102 102 THR CB C 102 71.007 71.007 71.309 -0.302 25573 4457 1 8 . 1 1 102 102 THR H H 102 7.276 7.276 7.385 -0.109 25573 4458 1 8 . 1 1 103 103 ALA N N 103 124.013 124.013 129.065 -5.052 25573 4459 1 8 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.043 -0.089 25573 4460 1 8 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.352 -3.074 25573 4461 1 8 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.718 -3.034 25573 4462 1 8 . 1 1 103 103 ALA H H 103 8.433 8.433 8.453 -0.020 25573 4463 1 8 . 1 1 104 104 ALA N N 104 119.649 119.649 120.171 -0.522 25573 4464 1 8 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.031 0.255 25573 4465 1 8 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.547 -2.245 25573 4466 1 8 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.229 -1.709 25573 4467 1 8 . 1 1 104 104 ALA H H 104 8.474 8.474 8.228 0.246 25573 4468 1 8 . 1 1 105 105 ALA N N 105 120.587 120.587 121.023 -0.436 25573 4469 1 8 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.039 0.225 25573 4470 1 8 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.829 -2.631 25573 4471 1 8 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.306 -2.561 25573 4472 1 8 . 1 1 105 105 ALA H H 105 8.050 8.050 7.781 0.269 25573 4473 1 8 . 1 1 106 106 ALA N N 106 121.752 121.752 121.374 0.378 25573 4474 1 8 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.931 -0.664 25573 4475 1 8 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.338 -3.827 25573 4476 1 8 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.158 -2.110 25573 4477 1 8 . 1 1 106 106 ALA H H 106 8.071 8.071 7.868 0.203 25573 4478 1 8 . 1 1 107 107 GLU N N 107 119.133 119.133 119.064 0.069 25573 4479 1 8 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.980 -0.121 25573 4480 1 8 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.887 -2.552 25573 4481 1 8 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.589 -2.480 25573 4482 1 8 . 1 1 107 107 GLU H H 107 8.711 8.711 8.026 0.685 25573 4483 1 8 . 1 1 108 108 ASN N N 108 118.306 118.306 118.488 -0.182 25573 4484 1 8 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.489 0.112 25573 4485 1 8 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.470 -2.499 25573 4486 1 8 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.560 -3.108 25573 4487 1 8 . 1 1 108 108 ASN H H 108 8.045 8.045 8.088 -0.043 25573 4488 1 8 . 1 1 109 109 MET N N 109 120.038 120.038 119.864 0.174 25573 4489 1 8 . 1 1 109 109 MET HA H 109 4.305 4.305 4.193 0.112 25573 4490 1 8 . 1 1 109 109 MET CA C 109 55.602 55.602 57.459 -1.857 25573 4491 1 8 . 1 1 109 109 MET CB C 109 29.771 29.771 31.884 -2.113 25573 4492 1 8 . 1 1 109 109 MET H H 109 8.401 8.401 7.973 0.428 25573 4493 1 8 . 1 1 110 110 TYR N N 110 121.616 121.616 120.403 1.213 25573 4494 1 8 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.073 -0.410 25573 4495 1 8 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.148 -3.223 25573 4496 1 8 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.260 -2.334 25573 4497 1 8 . 1 1 110 110 TYR H H 110 8.651 8.651 8.832 -0.181 25573 4498 1 8 . 1 1 111 111 SER N N 111 110.621 110.621 113.834 -3.213 25573 4499 1 8 . 1 1 111 111 SER HA H 111 4.540 4.540 4.076 0.464 25573 4500 1 8 . 1 1 111 111 SER CA C 111 58.395 58.395 61.230 -2.835 25573 4501 1 8 . 1 1 111 111 SER CB C 111 60.600 60.600 63.351 -2.751 25573 4502 1 8 . 1 1 111 111 SER H H 111 7.394 7.394 8.192 -0.798 25573 4503 1 8 . 1 1 112 112 GLN N N 112 125.643 125.643 120.701 4.942 25573 4504 1 8 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.016 0.043 25573 4505 1 8 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.520 -2.437 25573 4506 1 8 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.829 -3.184 25573 4507 1 8 . 1 1 112 112 GLN H H 112 8.774 8.774 8.100 0.674 25573 4508 1 8 . 1 1 113 113 MET N N 113 114.866 114.866 115.996 -1.130 25573 4509 1 8 . 1 1 113 113 MET HA H 113 4.275 4.275 4.398 -0.123 25573 4510 1 8 . 1 1 113 113 MET CA C 113 53.246 53.246 56.055 -2.809 25573 4511 1 8 . 1 1 113 113 MET CB C 113 31.365 31.365 33.796 -2.431 25573 4512 1 8 . 1 1 113 113 MET H H 113 8.070 8.070 7.814 0.256 25573 4513 1 8 . 1 1 114 114 GLY N N 114 107.252 107.252 105.823 1.429 25573 4514 1 8 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.116 -2.156 25573 4515 1 8 . 1 1 114 114 GLY H H 114 8.012 8.012 7.624 0.388 25573 4516 1 8 . 1 1 115 115 LEU N N 115 114.939 114.939 117.062 -2.123 25573 4517 1 8 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.226 -0.351 25573 4518 1 8 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.712 -1.503 25573 4519 1 8 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.503 -6.045 25573 4520 1 8 . 1 1 115 115 LEU H H 115 7.447 7.447 8.019 -0.572 25573 4521 1 8 . 1 1 116 116 ASP N N 116 116.423 116.423 119.081 -2.658 25573 4522 1 8 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.781 -0.111 25573 4523 1 8 . 1 1 116 116 ASP CA C 116 52.303 52.303 55.847 -3.544 25573 4524 1 8 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.197 -4.878 25573 4525 1 8 . 1 1 116 116 ASP H H 116 8.518 8.518 7.228 1.290 25573 4526 1 8 . 1 1 117 117 THR N N 117 113.582 113.582 112.797 0.785 25573 4527 1 8 . 1 1 117 117 THR HA H 117 4.194 4.194 4.378 -0.184 25573 4528 1 8 . 1 1 117 117 THR CA C 117 58.925 58.925 62.751 -3.826 25573 4529 1 8 . 1 1 117 117 THR CB C 117 67.320 67.320 70.198 -2.877 25573 4530 1 8 . 1 1 117 117 THR H H 117 7.240 7.240 8.133 -0.893 25573 4531 1 8 . 1 1 118 118 ARG N N 118 126.068 126.068 123.512 2.556 25573 4532 1 8 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.817 -0.251 25573 4533 1 8 . 1 1 118 118 ARG CA C 118 52.343 52.343 53.695 -1.352 25573 4534 1 8 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.330 2.378 25573 4535 1 8 . 1 1 118 118 ARG H H 118 8.711 8.711 8.211 0.500 25573 4536 1 8 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.559 -2.481 25573 4537 1 8 . 1 1 119 119 PRO CA C 119 60.043 60.043 63.068 -3.025 25573 4538 1 8 . 1 1 120 120 SER N N 120 116.251 116.251 119.510 -3.259 25573 4539 1 8 . 1 1 120 120 SER HA H 120 4.385 4.385 4.625 -0.240 25573 4540 1 8 . 1 1 120 120 SER CA C 120 55.352 55.352 58.928 -3.576 25573 4541 1 8 . 1 1 120 120 SER CB C 120 61.037 61.037 64.439 -3.402 25573 4542 1 8 . 1 1 120 120 SER H H 120 8.385 8.385 8.393 -0.008 25573 4543 1 8 . 1 1 121 121 MET N N 121 123.171 123.171 126.248 -3.077 25573 4544 1 8 . 1 1 121 121 MET HA H 121 4.289 4.289 4.758 -0.469 25573 4545 1 8 . 1 1 121 121 MET CA C 121 53.282 53.282 56.456 -3.174 25573 4546 1 8 . 1 1 121 121 MET CB C 121 30.755 30.755 33.610 -2.855 25573 4547 1 8 . 1 1 121 121 MET H H 121 8.297 8.297 8.521 -0.224 25573 4548 1 8 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.318 -0.060 25573 4549 1 8 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.165 -3.496 25573 4550 1 8 . 1 1 123 123 GLU N N 123 122.135 122.135 119.904 2.231 25573 4551 1 8 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.218 -8.315 25573 4552 1 8 . 1 1 123 123 GLU CB C 123 30.404 30.404 29.601 0.803 25573 4553 1 8 . 1 1 123 123 GLU H H 123 8.505 8.505 8.246 0.259 25573 4554 1 8 . 1 1 124 124 ALA N N 124 125.340 125.340 125.006 0.334 25573 4555 1 8 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.527 -0.196 25573 4556 1 8 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.828 -1.995 25573 4557 1 8 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.418 -3.753 25573 4558 1 8 . 1 1 124 124 ALA H H 124 8.422 8.422 8.045 0.377 25573 4559 1 8 . 1 1 125 125 GLY N N 125 108.426 108.426 107.792 0.634 25573 4560 1 8 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.709 -1.968 25573 4561 1 8 . 1 1 125 125 GLY H H 125 8.401 8.401 8.443 -0.042 25573 4562 1 8 . 1 1 126 126 GLY N N 126 109.792 109.792 107.995 1.797 25573 4563 1 8 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.697 -2.450 25573 4564 1 8 . 1 1 126 126 GLY H H 126 8.515 8.515 8.297 0.218 25573 4565 1 8 . 1 1 127 127 LYS N N 127 120.366 120.366 120.092 0.274 25573 4566 1 8 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.490 -0.169 25573 4567 1 8 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.675 -2.131 25573 4568 1 8 . 1 1 127 127 LYS CB C 127 30.352 30.352 34.215 -3.863 25573 4569 1 8 . 1 1 127 127 LYS H H 127 8.244 8.244 8.231 0.013 25573 4570 1 8 . 1 1 128 128 GLU N N 128 122.270 122.270 120.805 1.465 25573 4571 1 8 . 1 1 128 128 GLU CA C 128 56.044 56.044 55.637 0.407 25573 4572 1 8 . 1 1 128 128 GLU H H 128 8.559 8.559 8.520 0.039 25573 4573 1 8 . 1 1 129 129 GLU N N 129 122.282 122.282 120.006 2.276 25573 4574 1 8 . 1 1 129 129 GLU CA C 129 56.536 56.536 55.770 0.765 25573 4575 1 8 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.813 -0.624 25573 4576 1 8 . 1 1 129 129 GLU H H 129 8.027 8.027 8.628 -0.601 25573 4577 1 8 . 1 1 130 130 GLY N N 130 110.258 110.258 111.062 -0.804 25573 4578 1 8 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.539 -2.878 25573 4579 1 8 . 1 1 130 130 GLY H H 130 10.190 10.190 8.537 1.653 25573 4580 1 8 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.622 -0.243 25573 4581 1 8 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.999 -2.530 25573 4582 1 8 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.520 -3.289 25573 4583 1 8 . 1 1 133 133 GLN N N 133 119.932 119.932 119.129 0.803 25573 4584 1 8 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.910 -0.591 25573 4585 1 8 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.042 -1.793 25573 4586 1 8 . 1 1 133 133 GLN CB C 133 29.655 29.655 31.817 -2.162 25573 4587 1 8 . 1 1 133 133 GLN H H 133 8.478 8.478 8.667 -0.189 25573 4588 1 8 . 1 1 134 134 ALA N N 134 124.828 124.828 122.128 2.700 25573 4589 1 8 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.491 -0.242 25573 4590 1 8 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.585 -2.893 25573 4591 1 8 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.345 -3.321 25573 4592 1 8 . 1 1 134 134 ALA H H 134 8.263 8.263 8.691 -0.428 25573 4593 1 9 . 1 1 3 3 ASN N N 3 119.366 119.366 119.492 -0.126 25573 4594 1 9 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.621 -0.038 25573 4595 1 9 . 1 1 3 3 ASN CA C 3 51.391 51.391 54.655 -3.264 25573 4596 1 9 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.742 -3.030 25573 4597 1 9 . 1 1 3 3 ASN H H 3 8.596 8.596 8.611 -0.015 25573 4598 1 9 . 1 1 4 4 GLY N N 4 112.829 112.829 104.689 8.140 25573 4599 1 9 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.394 -1.692 25573 4600 1 9 . 1 1 4 4 GLY H H 4 8.073 8.073 7.633 0.440 25573 4601 1 9 . 1 1 5 5 ALA N N 5 123.630 123.630 120.850 2.780 25573 4602 1 9 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.621 -0.218 25573 4603 1 9 . 1 1 5 5 ALA CA C 5 49.640 49.640 53.320 -3.680 25573 4604 1 9 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.747 -3.333 25573 4605 1 9 . 1 1 5 5 ALA H H 5 8.008 8.008 8.388 -0.380 25573 4606 1 9 . 1 1 6 6 SER N N 6 114.866 114.866 115.711 -0.845 25573 4607 1 9 . 1 1 6 6 SER HA H 6 4.270 4.270 4.199 0.071 25573 4608 1 9 . 1 1 6 6 SER CA C 6 56.023 56.023 61.195 -5.172 25573 4609 1 9 . 1 1 6 6 SER CB C 6 60.936 60.936 62.772 -1.836 25573 4610 1 9 . 1 1 6 6 SER H H 6 8.293 8.293 8.441 -0.148 25573 4611 1 9 . 1 1 7 7 ARG N N 7 119.250 119.250 120.670 -1.420 25573 4612 1 9 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.786 -0.280 25573 4613 1 9 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.015 0.407 25573 4614 1 9 . 1 1 7 7 ARG H H 7 8.305 8.305 8.410 -0.105 25573 4615 1 9 . 1 1 8 8 ASP N N 8 119.662 119.662 119.774 -0.112 25573 4616 1 9 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.427 -0.274 25573 4617 1 9 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.729 -1.175 25573 4618 1 9 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.751 -14.250 25573 4619 1 9 . 1 1 8 8 ASP H H 8 7.915 7.915 8.383 -0.468 25573 4620 1 9 . 1 1 9 9 TRP N N 9 121.861 121.861 121.895 -0.034 25573 4621 1 9 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.336 -0.220 25573 4622 1 9 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.878 -4.916 25573 4623 1 9 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.771 -1.749 25573 4624 1 9 . 1 1 9 9 TRP H H 9 8.222 8.222 8.627 -0.405 25573 4625 1 9 . 1 1 10 10 LYS N N 10 118.681 118.681 119.490 -0.809 25573 4626 1 9 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.899 0.383 25573 4627 1 9 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.675 -0.776 25573 4628 1 9 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.280 -4.241 25573 4629 1 9 . 1 1 10 10 LYS H H 10 8.003 8.003 7.982 0.021 25573 4630 1 9 . 1 1 11 11 MET N N 11 119.366 119.366 118.797 0.569 25573 4631 1 9 . 1 1 11 11 MET HA H 11 4.559 4.559 4.105 0.454 25573 4632 1 9 . 1 1 11 11 MET CA C 11 53.485 53.485 58.816 -5.331 25573 4633 1 9 . 1 1 11 11 MET H H 11 8.041 8.041 7.794 0.247 25573 4634 1 9 . 1 1 12 12 ALA N N 12 122.650 122.650 122.196 0.454 25573 4635 1 9 . 1 1 12 12 ALA HA H 12 4.209 4.209 3.965 0.244 25573 4636 1 9 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.832 4.967 25573 4637 1 9 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.185 -0.413 25573 4638 1 9 . 1 1 12 12 ALA H H 12 7.904 7.904 7.734 0.170 25573 4639 1 9 . 1 1 13 13 ILE N N 13 117.322 117.322 119.332 -2.010 25573 4640 1 9 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.191 1.387 25573 4641 1 9 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.643 -7.740 25573 4642 1 9 . 1 1 13 13 ILE H H 13 8.380 8.380 7.763 0.617 25573 4643 1 9 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.288 1.628 25573 4644 1 9 . 1 1 16 16 CYS N N 16 116.263 116.263 117.249 -0.986 25573 4645 1 9 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.156 -0.111 25573 4646 1 9 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.798 -2.014 25573 4647 1 9 . 1 1 16 16 CYS CB C 16 28.810 28.810 25.647 3.163 25573 4648 1 9 . 1 1 16 16 CYS H H 16 7.799 7.799 7.891 -0.092 25573 4649 1 9 . 1 1 17 17 SER N N 17 114.606 114.606 117.639 -3.033 25573 4650 1 9 . 1 1 17 17 SER HA H 17 4.952 4.952 4.481 0.470 25573 4651 1 9 . 1 1 17 17 SER CA C 17 58.171 58.171 61.837 -3.667 25573 4652 1 9 . 1 1 17 17 SER CB C 17 60.740 60.740 63.004 -2.264 25573 4653 1 9 . 1 1 17 17 SER H H 17 7.830 7.830 8.307 -0.477 25573 4654 1 9 . 1 1 18 18 ASN N N 18 116.143 116.143 119.406 -3.263 25573 4655 1 9 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.881 0.127 25573 4656 1 9 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.782 -2.308 25573 4657 1 9 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.542 -1.253 25573 4658 1 9 . 1 1 18 18 ASN H H 18 7.557 7.557 7.716 -0.159 25573 4659 1 9 . 1 1 19 19 VAL N N 19 121.616 121.616 118.316 3.300 25573 4660 1 9 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.545 -1.046 25573 4661 1 9 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.582 -0.852 25573 4662 1 9 . 1 1 19 19 VAL CB C 19 29.042 29.042 35.806 -6.763 25573 4663 1 9 . 1 1 19 19 VAL H H 19 7.919 7.919 7.763 0.156 25573 4664 1 9 . 1 1 20 20 ALA N N 20 129.139 129.139 127.854 1.285 25573 4665 1 9 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.492 0.303 25573 4666 1 9 . 1 1 20 20 ALA C C 20 169.500 169.500 177.154 -7.654 25573 4667 1 9 . 1 1 20 20 ALA CA C 20 49.415 49.415 51.276 -1.861 25573 4668 1 9 . 1 1 20 20 ALA CB C 20 17.716 17.716 20.157 -2.441 25573 4669 1 9 . 1 1 20 20 ALA H H 20 8.150 8.150 8.150 0.000 25573 4670 1 9 . 1 1 21 21 VAL N N 21 120.390 120.390 118.005 2.385 25573 4671 1 9 . 1 1 21 21 VAL HA H 21 3.767 3.767 4.020 -0.253 25573 4672 1 9 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.164 -0.586 25573 4673 1 9 . 1 1 21 21 VAL CB C 21 29.746 29.746 32.265 -2.519 25573 4674 1 9 . 1 1 21 21 VAL H H 21 8.319 8.319 8.410 -0.091 25573 4675 1 9 . 1 1 22 22 GLY N N 22 108.884 108.884 106.975 1.909 25573 4676 1 9 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.903 -1.935 25573 4677 1 9 . 1 1 22 22 GLY H H 22 8.221 8.221 7.488 0.733 25573 4678 1 9 . 1 1 23 23 VAL N N 23 117.439 117.439 115.331 2.108 25573 4679 1 9 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.394 -0.156 25573 4680 1 9 . 1 1 23 23 VAL CA C 23 59.088 59.088 60.622 -1.534 25573 4681 1 9 . 1 1 23 23 VAL CB C 23 30.434 30.434 31.422 -0.988 25573 4682 1 9 . 1 1 23 23 VAL H H 23 8.003 8.003 8.091 -0.088 25573 4683 1 9 . 1 1 24 24 GLY N N 24 112.616 112.616 109.233 3.383 25573 4684 1 9 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.993 -2.214 25573 4685 1 9 . 1 1 24 24 GLY H H 24 8.716 8.716 7.771 0.945 25573 4686 1 9 . 1 1 25 25 GLY N N 25 108.753 108.753 111.201 -2.448 25573 4687 1 9 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.878 -2.878 25573 4688 1 9 . 1 1 25 25 GLY H H 25 8.286 8.286 8.281 0.005 25573 4689 1 9 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.392 -0.016 25573 4690 1 9 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.922 -3.410 25573 4691 1 9 . 1 1 27 27 SER HA H 27 4.922 4.922 4.660 0.262 25573 4692 1 9 . 1 1 27 27 SER CA C 27 56.876 56.876 57.184 -0.308 25573 4693 1 9 . 1 1 27 27 SER CB C 27 64.578 64.578 65.141 -0.563 25573 4694 1 9 . 1 1 27 27 SER H H 27 7.831 7.831 8.468 -0.637 25573 4695 1 9 . 1 1 28 28 LYS N N 28 122.919 122.919 122.178 0.741 25573 4696 1 9 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.216 -0.032 25573 4697 1 9 . 1 1 28 28 LYS CA C 28 56.539 56.539 56.461 0.078 25573 4698 1 9 . 1 1 28 28 LYS CB C 28 33.366 33.366 33.030 0.336 25573 4699 1 9 . 1 1 28 28 LYS H H 28 8.589 8.589 8.388 0.201 25573 4700 1 9 . 1 1 29 29 LYS N N 29 120.917 120.917 119.936 0.981 25573 4701 1 9 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.447 -0.064 25573 4702 1 9 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.974 -1.439 25573 4703 1 9 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.073 -1.997 25573 4704 1 9 . 1 1 29 29 LYS H H 29 8.471 8.471 8.050 0.421 25573 4705 1 9 . 1 1 30 30 PHE N N 30 119.366 119.366 119.256 0.110 25573 4706 1 9 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.486 -0.628 25573 4707 1 9 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.400 0.772 25573 4708 1 9 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.677 -2.435 25573 4709 1 9 . 1 1 30 30 PHE H H 30 8.000 8.000 8.298 -0.298 25573 4710 1 9 . 1 1 31 31 GLY N N 31 106.991 106.991 107.379 -0.388 25573 4711 1 9 . 1 1 31 31 GLY CA C 31 40.936 40.936 43.727 -2.791 25573 4712 1 9 . 1 1 31 31 GLY H H 31 8.404 8.404 7.834 0.570 25573 4713 1 9 . 1 1 32 32 GLU N N 32 120.491 120.491 120.632 -0.141 25573 4714 1 9 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.173 -0.061 25573 4715 1 9 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.191 -1.020 25573 4716 1 9 . 1 1 32 32 GLU CB C 32 27.306 27.306 28.998 -1.692 25573 4717 1 9 . 1 1 32 32 GLU H H 32 9.168 9.168 9.064 0.104 25573 4718 1 9 . 1 1 33 33 GLY N N 33 109.241 109.241 107.465 1.776 25573 4719 1 9 . 1 1 33 33 GLY CA C 33 43.591 43.591 47.221 -3.630 25573 4720 1 9 . 1 1 33 33 GLY H H 33 8.613 8.613 8.644 -0.031 25573 4721 1 9 . 1 1 34 34 ASN N N 34 118.241 118.241 120.471 -2.230 25573 4722 1 9 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.585 -0.547 25573 4723 1 9 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.709 -1.246 25573 4724 1 9 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.394 -2.000 25573 4725 1 9 . 1 1 34 34 ASN H H 34 7.897 7.897 7.686 0.211 25573 4726 1 9 . 1 1 35 35 PHE N N 35 117.116 117.116 120.521 -3.405 25573 4727 1 9 . 1 1 35 35 PHE HA H 35 4.088 4.088 3.992 0.096 25573 4728 1 9 . 1 1 35 35 PHE CA C 35 59.312 59.312 61.961 -2.648 25573 4729 1 9 . 1 1 35 35 PHE CB C 35 35.828 35.828 38.320 -2.492 25573 4730 1 9 . 1 1 35 35 PHE H H 35 7.180 7.180 8.469 -1.289 25573 4731 1 9 . 1 1 36 36 ARG N N 36 117.825 117.825 118.664 -0.839 25573 4732 1 9 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.077 -0.505 25573 4733 1 9 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.596 -1.354 25573 4734 1 9 . 1 1 36 36 ARG CB C 36 33.997 33.997 30.152 3.845 25573 4735 1 9 . 1 1 36 36 ARG H H 36 8.278 8.278 8.427 -0.149 25573 4736 1 9 . 1 1 37 37 TRP N N 37 118.845 118.845 121.665 -2.820 25573 4737 1 9 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.257 -0.123 25573 4738 1 9 . 1 1 37 37 TRP CA C 37 58.900 58.900 60.963 -2.063 25573 4739 1 9 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.357 -1.908 25573 4740 1 9 . 1 1 37 37 TRP H H 37 8.106 8.106 8.065 0.041 25573 4741 1 9 . 1 1 38 38 ALA N N 38 119.609 119.609 122.902 -3.293 25573 4742 1 9 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.844 0.585 25573 4743 1 9 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.769 -1.875 25573 4744 1 9 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.374 -1.975 25573 4745 1 9 . 1 1 38 38 ALA H H 38 8.332 8.332 7.971 0.361 25573 4746 1 9 . 1 1 39 39 ILE N N 39 114.866 114.866 120.291 -5.425 25573 4747 1 9 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.743 0.621 25573 4748 1 9 . 1 1 39 39 ILE CA C 39 55.584 55.584 63.438 -7.854 25573 4749 1 9 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.855 -6.363 25573 4750 1 9 . 1 1 39 39 ILE H H 39 8.161 8.161 7.703 0.458 25573 4751 1 9 . 1 1 40 40 ARG N N 40 120.240 120.240 119.365 0.875 25573 4752 1 9 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.921 0.145 25573 4753 1 9 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.661 -3.022 25573 4754 1 9 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.126 -0.317 25573 4755 1 9 . 1 1 40 40 ARG H H 40 8.446 8.446 8.403 0.043 25573 4756 1 9 . 1 1 41 41 MET HA H 41 4.305 4.305 3.829 0.476 25573 4757 1 9 . 1 1 41 41 MET CA C 41 53.585 53.585 58.438 -4.853 25573 4758 1 9 . 1 1 41 41 MET CB C 41 29.902 29.902 32.020 -2.118 25573 4759 1 9 . 1 1 42 42 ALA N N 42 122.782 122.782 119.658 3.124 25573 4760 1 9 . 1 1 42 42 ALA HA H 42 4.548 4.548 4.065 0.483 25573 4761 1 9 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.550 -2.274 25573 4762 1 9 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.151 -1.291 25573 4763 1 9 . 1 1 42 42 ALA H H 42 8.556 8.556 7.950 0.606 25573 4764 1 9 . 1 1 43 43 ASN N N 43 119.366 119.366 117.202 2.164 25573 4765 1 9 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.475 0.219 25573 4766 1 9 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.828 -5.491 25573 4767 1 9 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.356 -2.665 25573 4768 1 9 . 1 1 43 43 ASN H H 43 8.613 8.613 8.132 0.481 25573 4769 1 9 . 1 1 44 44 VAL N N 44 118.466 118.466 118.247 0.219 25573 4770 1 9 . 1 1 44 44 VAL HA H 44 3.899 3.899 4.097 -0.198 25573 4771 1 9 . 1 1 44 44 VAL CA C 44 63.094 63.094 64.139 -1.045 25573 4772 1 9 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.790 -2.869 25573 4773 1 9 . 1 1 44 44 VAL H H 44 8.464 8.464 7.780 0.684 25573 4774 1 9 . 1 1 45 45 SER N N 45 113.763 113.763 115.566 -1.803 25573 4775 1 9 . 1 1 45 45 SER HA H 45 4.328 4.328 4.126 0.202 25573 4776 1 9 . 1 1 45 45 SER CA C 45 58.553 58.553 61.473 -2.920 25573 4777 1 9 . 1 1 45 45 SER CB C 45 61.343 61.343 63.249 -1.906 25573 4778 1 9 . 1 1 45 45 SER H H 45 7.963 7.963 8.059 -0.096 25573 4779 1 9 . 1 1 46 46 THR N N 46 106.729 106.729 109.108 -2.379 25573 4780 1 9 . 1 1 46 46 THR HA H 46 4.602 4.602 4.575 0.027 25573 4781 1 9 . 1 1 46 46 THR CA C 46 58.026 58.026 61.110 -3.084 25573 4782 1 9 . 1 1 46 46 THR CB C 46 67.285 67.285 69.831 -2.546 25573 4783 1 9 . 1 1 46 46 THR H H 46 7.560 7.560 7.784 -0.224 25573 4784 1 9 . 1 1 47 47 GLY N N 47 109.384 109.384 111.037 -1.653 25573 4785 1 9 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.623 -1.814 25573 4786 1 9 . 1 1 47 47 GLY H H 47 7.539 7.539 7.867 -0.328 25573 4787 1 9 . 1 1 48 48 ARG N N 48 120.563 120.563 120.012 0.551 25573 4788 1 9 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.394 -0.041 25573 4789 1 9 . 1 1 48 48 ARG CA C 48 52.339 52.339 55.937 -3.598 25573 4790 1 9 . 1 1 48 48 ARG CB C 48 29.760 29.760 30.091 -0.331 25573 4791 1 9 . 1 1 48 48 ARG H H 48 8.220 8.220 7.994 0.226 25573 4792 1 9 . 1 1 49 49 GLU N N 49 122.874 122.874 120.953 1.921 25573 4793 1 9 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.039 0.283 25573 4794 1 9 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.633 -2.499 25573 4795 1 9 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.661 -0.557 25573 4796 1 9 . 1 1 49 49 GLU H H 49 8.661 8.661 8.611 0.050 25573 4797 1 9 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.215 1.679 25573 4798 1 9 . 1 1 51 51 GLY N N 51 102.859 102.859 108.654 -5.795 25573 4799 1 9 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.299 -3.222 25573 4800 1 9 . 1 1 51 51 GLY H H 51 8.368 8.368 8.174 0.194 25573 4801 1 9 . 1 1 52 52 ASP N N 52 120.491 120.491 124.667 -4.176 25573 4802 1 9 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.553 -0.173 25573 4803 1 9 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.487 -2.806 25573 4804 1 9 . 1 1 52 52 ASP CB C 52 37.801 37.801 43.363 -5.562 25573 4805 1 9 . 1 1 52 52 ASP H H 52 7.204 7.204 7.942 -0.738 25573 4806 1 9 . 1 1 53 53 ILE N N 53 127.662 127.662 123.156 4.506 25573 4807 1 9 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.589 -0.059 25573 4808 1 9 . 1 1 53 53 ILE CA C 53 54.127 54.127 56.698 -2.571 25573 4809 1 9 . 1 1 53 53 ILE CB C 53 35.495 35.495 36.988 -1.493 25573 4810 1 9 . 1 1 53 53 ILE H H 53 8.255 8.255 8.137 0.118 25573 4811 1 9 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.543 -0.057 25573 4812 1 9 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.811 -2.692 25573 4813 1 9 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.122 -3.327 25573 4814 1 9 . 1 1 55 55 GLU N N 55 117.116 117.116 123.654 -6.538 25573 4815 1 9 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.548 -0.042 25573 4816 1 9 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.108 -1.825 25573 4817 1 9 . 1 1 55 55 GLU CB C 55 29.682 29.682 28.550 1.132 25573 4818 1 9 . 1 1 55 55 GLU H H 55 8.580 8.580 8.747 -0.167 25573 4819 1 9 . 1 1 56 56 THR N N 56 105.122 105.122 114.213 -9.091 25573 4820 1 9 . 1 1 56 56 THR HA H 56 4.832 4.832 4.556 0.276 25573 4821 1 9 . 1 1 56 56 THR CA C 56 55.381 55.381 59.975 -4.594 25573 4822 1 9 . 1 1 56 56 THR CB C 56 70.771 70.771 70.127 0.644 25573 4823 1 9 . 1 1 56 56 THR H H 56 7.367 7.367 7.312 0.055 25573 4824 1 9 . 1 1 57 57 LEU N N 57 122.564 122.564 129.298 -6.734 25573 4825 1 9 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.158 0.274 25573 4826 1 9 . 1 1 57 57 LEU CA C 57 55.409 55.409 56.812 -1.403 25573 4827 1 9 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.075 -4.214 25573 4828 1 9 . 1 1 57 57 LEU H H 57 9.222 9.222 9.080 0.142 25573 4829 1 9 . 1 1 58 58 ASP N N 58 119.366 119.366 119.995 -0.629 25573 4830 1 9 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.652 0.628 25573 4831 1 9 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.850 -3.493 25573 4832 1 9 . 1 1 58 58 ASP H H 58 8.570 8.570 7.850 0.720 25573 4833 1 9 . 1 1 59 59 GLN N N 59 118.241 118.241 119.630 -1.389 25573 4834 1 9 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.057 -0.025 25573 4835 1 9 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.838 -2.921 25573 4836 1 9 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.951 -2.877 25573 4837 1 9 . 1 1 59 59 GLN H H 59 7.823 7.823 7.654 0.169 25573 4838 1 9 . 1 1 60 60 LEU N N 60 121.691 121.691 120.833 0.858 25573 4839 1 9 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.967 0.112 25573 4840 1 9 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.529 -3.258 25573 4841 1 9 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.822 5.815 25573 4842 1 9 . 1 1 60 60 LEU H H 60 8.187 8.187 7.963 0.224 25573 4843 1 9 . 1 1 61 61 ARG N N 61 117.960 117.960 118.962 -1.002 25573 4844 1 9 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.067 -0.001 25573 4845 1 9 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.319 -3.136 25573 4846 1 9 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.134 -1.218 25573 4847 1 9 . 1 1 61 61 ARG H H 61 9.133 9.133 7.833 1.300 25573 4848 1 9 . 1 1 62 62 LEU N N 62 118.408 118.408 120.125 -1.717 25573 4849 1 9 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.114 -0.088 25573 4850 1 9 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.683 -1.603 25573 4851 1 9 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.764 -3.400 25573 4852 1 9 . 1 1 62 62 LEU H H 62 7.817 7.817 7.802 0.015 25573 4853 1 9 . 1 1 63 63 VAL N N 63 119.177 119.177 120.176 -0.999 25573 4854 1 9 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.434 0.103 25573 4855 1 9 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.350 -2.849 25573 4856 1 9 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.555 -2.671 25573 4857 1 9 . 1 1 63 63 VAL H H 63 7.368 7.368 7.893 -0.525 25573 4858 1 9 . 1 1 64 64 ILE N N 64 119.068 119.068 120.081 -1.013 25573 4859 1 9 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.614 -0.074 25573 4860 1 9 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.655 -1.174 25573 4861 1 9 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.700 -2.988 25573 4862 1 9 . 1 1 64 64 ILE H H 64 8.320 8.320 7.750 0.570 25573 4863 1 9 . 1 1 65 65 CYS N N 65 119.131 119.131 117.659 1.472 25573 4864 1 9 . 1 1 65 65 CYS HA H 65 4.330 4.330 3.986 0.344 25573 4865 1 9 . 1 1 65 65 CYS CA C 65 60.908 60.908 64.500 -3.592 25573 4866 1 9 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.191 -3.299 25573 4867 1 9 . 1 1 65 65 CYS H H 65 9.076 9.076 7.916 1.160 25573 4868 1 9 . 1 1 66 66 ASP N N 66 120.537 120.537 121.201 -0.664 25573 4869 1 9 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.441 -0.129 25573 4870 1 9 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.084 0.680 25573 4871 1 9 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.846 -2.661 25573 4872 1 9 . 1 1 66 66 ASP H H 66 8.512 8.512 8.194 0.318 25573 4873 1 9 . 1 1 67 67 LEU N N 67 119.364 119.364 121.392 -2.028 25573 4874 1 9 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.881 0.089 25573 4875 1 9 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.294 -1.308 25573 4876 1 9 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.951 -9.205 25573 4877 1 9 . 1 1 67 67 LEU H H 67 8.971 8.971 8.383 0.588 25573 4878 1 9 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.076 0.353 25573 4879 1 9 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.527 -3.762 25573 4880 1 9 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.581 0.221 25573 4881 1 9 . 1 1 70 70 ARG N N 70 122.186 122.186 119.591 2.595 25573 4882 1 9 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.064 0.422 25573 4883 1 9 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.644 -7.111 25573 4884 1 9 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.286 0.055 25573 4885 1 9 . 1 1 70 70 ARG H H 70 8.345 8.345 8.308 0.037 25573 4886 1 9 . 1 1 71 71 ARG N N 71 121.616 121.616 118.569 3.047 25573 4887 1 9 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.051 -1.427 25573 4888 1 9 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.961 -4.782 25573 4889 1 9 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.383 0.624 25573 4890 1 9 . 1 1 71 71 ARG H H 71 8.480 8.480 8.487 -0.007 25573 4891 1 9 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.081 -0.009 25573 4892 1 9 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.623 -2.647 25573 4893 1 9 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.467 -1.715 25573 4894 1 9 . 1 1 74 74 PHE N N 74 115.001 115.001 117.534 -2.533 25573 4895 1 9 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.342 0.480 25573 4896 1 9 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.961 -3.840 25573 4897 1 9 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.930 -3.343 25573 4898 1 9 . 1 1 74 74 PHE H H 74 8.530 8.530 7.732 0.798 25573 4899 1 9 . 1 1 75 75 GLY N N 75 110.366 110.366 106.121 4.245 25573 4900 1 9 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.614 -2.610 25573 4901 1 9 . 1 1 75 75 GLY H H 75 7.799 7.799 7.632 0.167 25573 4902 1 9 . 1 1 76 76 SER N N 76 113.283 113.283 114.211 -0.928 25573 4903 1 9 . 1 1 76 76 SER HA H 76 4.523 4.523 4.902 -0.379 25573 4904 1 9 . 1 1 76 76 SER CA C 76 54.361 54.361 56.738 -2.377 25573 4905 1 9 . 1 1 76 76 SER CB C 76 61.887 61.887 63.824 -1.937 25573 4906 1 9 . 1 1 76 76 SER H H 76 8.417 8.417 8.389 0.028 25573 4907 1 9 . 1 1 77 77 SER N N 77 114.950 114.950 119.102 -4.152 25573 4908 1 9 . 1 1 77 77 SER HA H 77 4.535 4.535 4.699 -0.164 25573 4909 1 9 . 1 1 77 77 SER CA C 77 53.833 53.833 57.593 -3.760 25573 4910 1 9 . 1 1 77 77 SER CB C 77 63.488 63.488 65.862 -2.374 25573 4911 1 9 . 1 1 77 77 SER H H 77 8.428 8.428 8.043 0.385 25573 4912 1 9 . 1 1 78 78 LYS N N 78 122.032 122.032 123.076 -1.044 25573 4913 1 9 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.012 0.663 25573 4914 1 9 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.607 -5.480 25573 4915 1 9 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.214 -2.979 25573 4916 1 9 . 1 1 78 78 LYS H H 78 9.044 9.044 8.810 0.234 25573 4917 1 9 . 1 1 79 79 GLU N N 79 118.232 118.232 118.803 -0.571 25573 4918 1 9 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.124 0.168 25573 4919 1 9 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.479 -1.375 25573 4920 1 9 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.779 -2.933 25573 4921 1 9 . 1 1 79 79 GLU H H 79 8.795 8.795 7.786 1.009 25573 4922 1 9 . 1 1 80 80 ILE N N 80 120.491 120.491 121.117 -0.626 25573 4923 1 9 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.814 -0.085 25573 4924 1 9 . 1 1 80 80 ILE CA C 80 62.466 62.466 63.996 -1.530 25573 4925 1 9 . 1 1 80 80 ILE CB C 80 36.109 36.109 36.855 -0.746 25573 4926 1 9 . 1 1 80 80 ILE H H 80 7.892 7.892 7.851 0.041 25573 4927 1 9 . 1 1 81 81 ASP N N 81 120.491 120.491 120.008 0.483 25573 4928 1 9 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.338 -0.032 25573 4929 1 9 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.487 -2.113 25573 4930 1 9 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.295 -2.920 25573 4931 1 9 . 1 1 81 81 ASP H H 81 8.424 8.424 8.599 -0.175 25573 4932 1 9 . 1 1 82 82 MET N N 82 118.588 118.588 118.743 -0.155 25573 4933 1 9 . 1 1 82 82 MET HA H 82 4.610 4.610 4.195 0.415 25573 4934 1 9 . 1 1 82 82 MET CA C 82 54.472 54.472 59.215 -4.743 25573 4935 1 9 . 1 1 82 82 MET CB C 82 29.557 29.557 32.734 -3.177 25573 4936 1 9 . 1 1 82 82 MET H H 82 8.215 8.215 7.818 0.397 25573 4937 1 9 . 1 1 83 83 ALA N N 83 127.525 127.525 123.255 4.270 25573 4938 1 9 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.146 -0.047 25573 4939 1 9 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.059 -1.151 25573 4940 1 9 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.253 -3.443 25573 4941 1 9 . 1 1 83 83 ALA H H 83 10.165 10.165 8.152 2.013 25573 4942 1 9 . 1 1 84 84 ILE N N 84 115.968 115.968 119.163 -3.195 25573 4943 1 9 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.812 -0.278 25573 4944 1 9 . 1 1 84 84 ILE CA C 84 64.377 64.377 63.759 0.618 25573 4945 1 9 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.008 -1.591 25573 4946 1 9 . 1 1 84 84 ILE H H 84 8.437 8.437 7.814 0.623 25573 4947 1 9 . 1 1 85 85 VAL N N 85 117.106 117.106 116.507 0.599 25573 4948 1 9 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.625 0.420 25573 4949 1 9 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.424 -10.499 25573 4950 1 9 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.893 -1.708 25573 4951 1 9 . 1 1 85 85 VAL H H 85 7.835 7.835 7.901 -0.066 25573 4952 1 9 . 1 1 86 86 THR N N 86 116.673 116.673 114.727 1.946 25573 4953 1 9 . 1 1 86 86 THR HA H 86 4.181 4.181 3.976 0.205 25573 4954 1 9 . 1 1 86 86 THR CA C 86 59.627 59.627 65.790 -6.163 25573 4955 1 9 . 1 1 86 86 THR CB C 86 65.856 65.856 68.633 -2.777 25573 4956 1 9 . 1 1 86 86 THR H H 86 8.254 8.254 8.438 -0.184 25573 4957 1 9 . 1 1 87 87 LEU N N 87 121.447 121.447 122.512 -1.065 25573 4958 1 9 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.130 0.452 25573 4959 1 9 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.987 -1.131 25573 4960 1 9 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.103 -9.278 25573 4961 1 9 . 1 1 87 87 LEU H H 87 7.913 7.913 7.856 0.057 25573 4962 1 9 . 1 1 88 88 LYS N N 88 119.505 119.505 119.414 0.091 25573 4963 1 9 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.711 0.430 25573 4964 1 9 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.410 -3.340 25573 4965 1 9 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.088 -2.201 25573 4966 1 9 . 1 1 88 88 LYS H H 88 7.970 7.970 7.740 0.230 25573 4967 1 9 . 1 1 89 89 VAL N N 89 119.366 119.366 120.580 -1.214 25573 4968 1 9 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.744 0.076 25573 4969 1 9 . 1 1 89 89 VAL CA C 89 56.956 56.956 65.618 -8.662 25573 4970 1 9 . 1 1 89 89 VAL H H 89 8.082 8.082 7.779 0.303 25573 4971 1 9 . 1 1 90 90 PHE N N 90 119.366 119.366 120.654 -1.288 25573 4972 1 9 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.011 0.413 25573 4973 1 9 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.775 -4.624 25573 4974 1 9 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.271 -2.641 25573 4975 1 9 . 1 1 90 90 PHE H H 90 8.104 8.104 8.638 -0.534 25573 4976 1 9 . 1 1 91 91 ALA N N 91 118.916 118.916 121.422 -2.506 25573 4977 1 9 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.618 0.898 25573 4978 1 9 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.852 -0.440 25573 4979 1 9 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.152 -2.262 25573 4980 1 9 . 1 1 91 91 ALA H H 91 8.187 8.187 7.510 0.677 25573 4981 1 9 . 1 1 92 92 VAL N N 92 113.741 113.741 118.745 -5.004 25573 4982 1 9 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.709 -0.122 25573 4983 1 9 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.798 -3.219 25573 4984 1 9 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.860 -1.068 25573 4985 1 9 . 1 1 92 92 VAL H H 92 8.196 8.196 8.181 0.015 25573 4986 1 9 . 1 1 93 93 ALA N N 93 119.366 119.366 120.732 -1.366 25573 4987 1 9 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.194 0.500 25573 4988 1 9 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.735 -4.454 25573 4989 1 9 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.078 -1.363 25573 4990 1 9 . 1 1 93 93 ALA H H 93 8.564 8.564 8.158 0.406 25573 4991 1 9 . 1 1 94 94 GLY N N 94 104.958 104.958 106.318 -1.360 25573 4992 1 9 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.608 -1.684 25573 4993 1 9 . 1 1 94 94 GLY H H 94 6.940 6.940 7.594 -0.654 25573 4994 1 9 . 1 1 95 95 LEU N N 95 120.679 120.679 121.653 -0.974 25573 4995 1 9 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.988 0.017 25573 4996 1 9 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.206 -2.802 25573 4997 1 9 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.872 -3.647 25573 4998 1 9 . 1 1 95 95 LEU H H 95 7.724 7.724 7.536 0.188 25573 4999 1 9 . 1 1 96 96 LEU N N 96 115.261 115.261 117.073 -1.812 25573 5000 1 9 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.265 0.010 25573 5001 1 9 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.637 -2.367 25573 5002 1 9 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.360 -3.674 25573 5003 1 9 . 1 1 96 96 LEU H H 96 7.723 7.723 7.763 -0.040 25573 5004 1 9 . 1 1 97 97 ASN N N 97 112.672 112.672 113.828 -1.156 25573 5005 1 9 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.382 -0.141 25573 5006 1 9 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.350 -3.150 25573 5007 1 9 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.143 -2.698 25573 5008 1 9 . 1 1 97 97 ASN H H 97 6.694 6.694 7.579 -0.885 25573 5009 1 9 . 1 1 98 98 MET N N 98 115.968 115.968 117.272 -1.304 25573 5010 1 9 . 1 1 98 98 MET HA H 98 4.614 4.614 4.444 0.170 25573 5011 1 9 . 1 1 98 98 MET CA C 98 51.685 51.685 56.675 -4.990 25573 5012 1 9 . 1 1 98 98 MET CB C 98 29.808 29.808 34.061 -4.253 25573 5013 1 9 . 1 1 98 98 MET H H 98 8.168 8.168 7.891 0.277 25573 5014 1 9 . 1 1 99 99 THR N N 99 118.683 118.683 112.097 6.586 25573 5015 1 9 . 1 1 99 99 THR HA H 99 4.184 4.184 4.508 -0.324 25573 5016 1 9 . 1 1 99 99 THR CA C 99 59.813 59.813 61.183 -1.370 25573 5017 1 9 . 1 1 99 99 THR CB C 99 65.438 65.438 68.748 -3.310 25573 5018 1 9 . 1 1 99 99 THR H H 99 8.562 8.562 8.200 0.362 25573 5019 1 9 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.056 0.063 25573 5020 1 9 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.017 -4.315 25573 5021 1 9 . 1 1 100 100 VAL H H 100 8.392 8.392 7.813 0.579 25573 5022 1 9 . 1 1 101 101 SER N N 101 121.736 121.736 114.461 7.275 25573 5023 1 9 . 1 1 101 101 SER HA H 101 4.645 4.645 4.524 0.121 25573 5024 1 9 . 1 1 101 101 SER CA C 101 56.852 56.852 59.784 -2.932 25573 5025 1 9 . 1 1 101 101 SER CB C 101 61.739 61.739 64.026 -2.287 25573 5026 1 9 . 1 1 101 101 SER H H 101 8.079 8.079 8.608 -0.529 25573 5027 1 9 . 1 1 102 102 THR N N 102 110.147 110.147 109.959 0.188 25573 5028 1 9 . 1 1 102 102 THR HA H 102 5.450 5.450 4.848 0.602 25573 5029 1 9 . 1 1 102 102 THR CA C 102 56.522 56.522 60.122 -3.600 25573 5030 1 9 . 1 1 102 102 THR CB C 102 71.007 71.007 71.661 -0.654 25573 5031 1 9 . 1 1 102 102 THR H H 102 7.276 7.276 7.501 -0.225 25573 5032 1 9 . 1 1 103 103 ALA N N 103 124.013 124.013 127.001 -2.988 25573 5033 1 9 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.053 -0.099 25573 5034 1 9 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.866 -3.588 25573 5035 1 9 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.810 -3.126 25573 5036 1 9 . 1 1 103 103 ALA H H 103 8.433 8.433 8.521 -0.088 25573 5037 1 9 . 1 1 104 104 ALA N N 104 119.649 119.649 121.079 -1.430 25573 5038 1 9 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.017 0.269 25573 5039 1 9 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.801 -2.499 25573 5040 1 9 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.265 -1.745 25573 5041 1 9 . 1 1 104 104 ALA H H 104 8.474 8.474 8.223 0.251 25573 5042 1 9 . 1 1 105 105 ALA N N 105 120.587 120.587 120.978 -0.391 25573 5043 1 9 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.963 0.301 25573 5044 1 9 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.938 -2.740 25573 5045 1 9 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.358 -2.613 25573 5046 1 9 . 1 1 105 105 ALA H H 105 8.050 8.050 7.771 0.279 25573 5047 1 9 . 1 1 106 106 ALA N N 106 121.752 121.752 121.718 0.034 25573 5048 1 9 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.965 -0.698 25573 5049 1 9 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.040 -3.529 25573 5050 1 9 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.279 -2.231 25573 5051 1 9 . 1 1 106 106 ALA H H 106 8.071 8.071 7.793 0.278 25573 5052 1 9 . 1 1 107 107 GLU N N 107 119.133 119.133 118.678 0.455 25573 5053 1 9 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.022 -0.163 25573 5054 1 9 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.191 -1.856 25573 5055 1 9 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.532 -2.423 25573 5056 1 9 . 1 1 107 107 GLU H H 107 8.711 8.711 7.990 0.721 25573 5057 1 9 . 1 1 108 108 ASN N N 108 118.306 118.306 119.022 -0.716 25573 5058 1 9 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.489 0.112 25573 5059 1 9 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.599 -2.628 25573 5060 1 9 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.521 -3.069 25573 5061 1 9 . 1 1 108 108 ASN H H 108 8.045 8.045 8.743 -0.698 25573 5062 1 9 . 1 1 109 109 MET N N 109 120.038 120.038 119.573 0.465 25573 5063 1 9 . 1 1 109 109 MET HA H 109 4.305 4.305 4.321 -0.016 25573 5064 1 9 . 1 1 109 109 MET CA C 109 55.602 55.602 56.535 -0.933 25573 5065 1 9 . 1 1 109 109 MET CB C 109 29.771 29.771 31.860 -2.089 25573 5066 1 9 . 1 1 109 109 MET H H 109 8.401 8.401 8.239 0.162 25573 5067 1 9 . 1 1 110 110 TYR N N 110 121.616 121.616 121.267 0.349 25573 5068 1 9 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.164 -0.501 25573 5069 1 9 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.187 -3.262 25573 5070 1 9 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.580 -2.654 25573 5071 1 9 . 1 1 110 110 TYR H H 110 8.651 8.651 8.144 0.507 25573 5072 1 9 . 1 1 111 111 SER N N 111 110.621 110.621 113.020 -2.399 25573 5073 1 9 . 1 1 111 111 SER HA H 111 4.540 4.540 4.266 0.274 25573 5074 1 9 . 1 1 111 111 SER CA C 111 58.395 58.395 60.502 -2.107 25573 5075 1 9 . 1 1 111 111 SER CB C 111 60.600 60.600 63.639 -3.039 25573 5076 1 9 . 1 1 111 111 SER H H 111 7.394 7.394 8.079 -0.685 25573 5077 1 9 . 1 1 112 112 GLN N N 112 125.643 125.643 122.941 2.702 25573 5078 1 9 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.061 -0.002 25573 5079 1 9 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.584 -2.501 25573 5080 1 9 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.989 -3.344 25573 5081 1 9 . 1 1 112 112 GLN H H 112 8.774 8.774 8.433 0.341 25573 5082 1 9 . 1 1 113 113 MET N N 113 114.866 114.866 116.180 -1.314 25573 5083 1 9 . 1 1 113 113 MET HA H 113 4.275 4.275 4.651 -0.376 25573 5084 1 9 . 1 1 113 113 MET CA C 113 53.246 53.246 54.656 -1.409 25573 5085 1 9 . 1 1 113 113 MET CB C 113 31.365 31.365 32.778 -1.413 25573 5086 1 9 . 1 1 113 113 MET H H 113 8.070 8.070 7.690 0.380 25573 5087 1 9 . 1 1 114 114 GLY N N 114 107.252 107.252 108.627 -1.375 25573 5088 1 9 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.871 -2.911 25573 5089 1 9 . 1 1 114 114 GLY H H 114 8.012 8.012 7.683 0.329 25573 5090 1 9 . 1 1 115 115 LEU N N 115 114.939 114.939 118.683 -3.744 25573 5091 1 9 . 1 1 115 115 LEU HA H 115 3.875 3.875 3.752 0.123 25573 5092 1 9 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.220 -2.011 25573 5093 1 9 . 1 1 115 115 LEU CB C 115 35.458 35.458 40.804 -5.346 25573 5094 1 9 . 1 1 115 115 LEU H H 115 7.447 7.447 7.724 -0.277 25573 5095 1 9 . 1 1 116 116 ASP N N 116 116.423 116.423 119.299 -2.876 25573 5096 1 9 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.464 0.206 25573 5097 1 9 . 1 1 116 116 ASP CA C 116 52.303 52.303 55.280 -2.977 25573 5098 1 9 . 1 1 116 116 ASP CB C 116 37.319 37.319 41.943 -4.624 25573 5099 1 9 . 1 1 116 116 ASP H H 116 8.518 8.518 7.775 0.743 25573 5100 1 9 . 1 1 117 117 THR N N 117 113.582 113.582 115.105 -1.523 25573 5101 1 9 . 1 1 117 117 THR HA H 117 4.194 4.194 4.567 -0.373 25573 5102 1 9 . 1 1 117 117 THR CA C 117 58.925 58.925 61.137 -2.212 25573 5103 1 9 . 1 1 117 117 THR CB C 117 67.320 67.320 70.608 -3.288 25573 5104 1 9 . 1 1 117 117 THR H H 117 7.240 7.240 8.220 -0.980 25573 5105 1 9 . 1 1 118 118 ARG N N 118 126.068 126.068 121.620 4.448 25573 5106 1 9 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.699 -0.133 25573 5107 1 9 . 1 1 118 118 ARG CA C 118 52.343 52.343 53.443 -1.100 25573 5108 1 9 . 1 1 118 118 ARG CB C 118 33.708 33.708 29.036 4.672 25573 5109 1 9 . 1 1 118 118 ARG H H 118 8.711 8.711 8.387 0.324 25573 5110 1 9 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.431 -2.353 25573 5111 1 9 . 1 1 119 119 PRO CA C 119 60.043 60.043 64.121 -4.079 25573 5112 1 9 . 1 1 120 120 SER N N 120 116.251 116.251 116.418 -0.167 25573 5113 1 9 . 1 1 120 120 SER HA H 120 4.385 4.385 4.368 0.017 25573 5114 1 9 . 1 1 120 120 SER CA C 120 55.352 55.352 58.951 -3.599 25573 5115 1 9 . 1 1 120 120 SER CB C 120 61.037 61.037 61.705 -0.668 25573 5116 1 9 . 1 1 120 120 SER H H 120 8.385 8.385 8.062 0.323 25573 5117 1 9 . 1 1 121 121 MET N N 121 123.171 123.171 118.813 4.358 25573 5118 1 9 . 1 1 121 121 MET HA H 121 4.289 4.289 4.578 -0.289 25573 5119 1 9 . 1 1 121 121 MET CA C 121 53.282 53.282 55.451 -2.169 25573 5120 1 9 . 1 1 121 121 MET CB C 121 30.755 30.755 32.905 -2.150 25573 5121 1 9 . 1 1 121 121 MET H H 121 8.297 8.297 7.814 0.483 25573 5122 1 9 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.620 -0.362 25573 5123 1 9 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.193 -2.523 25573 5124 1 9 . 1 1 123 123 GLU N N 123 122.135 122.135 120.441 1.694 25573 5125 1 9 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.509 -8.606 25573 5126 1 9 . 1 1 123 123 GLU CB C 123 30.404 30.404 31.396 -0.993 25573 5127 1 9 . 1 1 123 123 GLU H H 123 8.505 8.505 8.606 -0.101 25573 5128 1 9 . 1 1 124 124 ALA N N 124 125.340 125.340 122.576 2.764 25573 5129 1 9 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.552 -0.221 25573 5130 1 9 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.676 -1.843 25573 5131 1 9 . 1 1 124 124 ALA CB C 124 16.665 16.665 19.886 -3.221 25573 5132 1 9 . 1 1 124 124 ALA H H 124 8.422 8.422 7.931 0.491 25573 5133 1 9 . 1 1 125 125 GLY N N 125 108.426 108.426 108.423 0.003 25573 5134 1 9 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.261 -1.520 25573 5135 1 9 . 1 1 125 125 GLY H H 125 8.401 8.401 8.286 0.115 25573 5136 1 9 . 1 1 126 126 GLY N N 126 109.792 109.792 108.111 1.681 25573 5137 1 9 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.434 -2.187 25573 5138 1 9 . 1 1 126 126 GLY H H 126 8.515 8.515 8.009 0.506 25573 5139 1 9 . 1 1 127 127 LYS N N 127 120.366 120.366 120.404 -0.038 25573 5140 1 9 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.483 -0.162 25573 5141 1 9 . 1 1 127 127 LYS CA C 127 53.544 53.544 57.170 -3.626 25573 5142 1 9 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.279 -1.927 25573 5143 1 9 . 1 1 127 127 LYS H H 127 8.244 8.244 8.478 -0.234 25573 5144 1 9 . 1 1 128 128 GLU N N 128 122.270 122.270 119.361 2.909 25573 5145 1 9 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.947 -0.903 25573 5146 1 9 . 1 1 128 128 GLU H H 128 8.559 8.559 8.400 0.159 25573 5147 1 9 . 1 1 129 129 GLU N N 129 122.282 122.282 119.984 2.298 25573 5148 1 9 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.236 0.300 25573 5149 1 9 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.420 -0.231 25573 5150 1 9 . 1 1 129 129 GLU H H 129 8.027 8.027 8.225 -0.198 25573 5151 1 9 . 1 1 130 130 GLY N N 130 110.258 110.258 113.208 -2.950 25573 5152 1 9 . 1 1 130 130 GLY CA C 130 41.661 41.661 45.430 -3.769 25573 5153 1 9 . 1 1 130 130 GLY H H 130 10.190 10.190 8.432 1.758 25573 5154 1 9 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.586 -0.207 25573 5155 1 9 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.832 -2.363 25573 5156 1 9 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.513 -3.282 25573 5157 1 9 . 1 1 133 133 GLN N N 133 119.932 119.932 118.298 1.634 25573 5158 1 9 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.608 -0.289 25573 5159 1 9 . 1 1 133 133 GLN CA C 133 53.249 53.249 56.410 -3.162 25573 5160 1 9 . 1 1 133 133 GLN CB C 133 29.655 29.655 30.077 -0.422 25573 5161 1 9 . 1 1 133 133 GLN H H 133 8.478 8.478 8.818 -0.340 25573 5162 1 9 . 1 1 134 134 ALA N N 134 124.828 124.828 122.154 2.674 25573 5163 1 9 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.425 -0.176 25573 5164 1 9 . 1 1 134 134 ALA CA C 134 49.692 49.692 51.923 -2.231 25573 5165 1 9 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.529 -3.505 25573 5166 1 9 . 1 1 134 134 ALA H H 134 8.263 8.263 7.743 0.520 25573 5167 1 10 . 1 1 3 3 ASN N N 3 119.366 119.366 118.493 0.873 25573 5168 1 10 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.971 -0.388 25573 5169 1 10 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.869 -2.478 25573 5170 1 10 . 1 1 3 3 ASN CB C 3 35.712 35.712 40.553 -4.841 25573 5171 1 10 . 1 1 3 3 ASN H H 3 8.596 8.596 8.530 0.066 25573 5172 1 10 . 1 1 4 4 GLY N N 4 112.829 112.829 107.613 5.216 25573 5173 1 10 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.681 -2.979 25573 5174 1 10 . 1 1 4 4 GLY H H 4 8.073 8.073 8.384 -0.311 25573 5175 1 10 . 1 1 5 5 ALA N N 5 123.630 123.630 124.187 -0.557 25573 5176 1 10 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.754 -0.351 25573 5177 1 10 . 1 1 5 5 ALA CA C 5 49.640 49.640 51.574 -1.934 25573 5178 1 10 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.434 -3.020 25573 5179 1 10 . 1 1 5 5 ALA H H 5 8.008 8.008 7.923 0.085 25573 5180 1 10 . 1 1 6 6 SER N N 6 114.866 114.866 115.450 -0.584 25573 5181 1 10 . 1 1 6 6 SER HA H 6 4.270 4.270 4.760 -0.490 25573 5182 1 10 . 1 1 6 6 SER CA C 6 56.023 56.023 57.107 -1.084 25573 5183 1 10 . 1 1 6 6 SER CB C 6 60.936 60.936 64.491 -3.555 25573 5184 1 10 . 1 1 6 6 SER H H 6 8.293 8.293 7.976 0.317 25573 5185 1 10 . 1 1 7 7 ARG N N 7 119.250 119.250 123.063 -3.813 25573 5186 1 10 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.643 -0.137 25573 5187 1 10 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.268 0.154 25573 5188 1 10 . 1 1 7 7 ARG H H 7 8.305 8.305 8.972 -0.667 25573 5189 1 10 . 1 1 8 8 ASP N N 8 119.662 119.662 119.243 0.419 25573 5190 1 10 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.440 -0.287 25573 5191 1 10 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.431 -1.877 25573 5192 1 10 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.675 -14.174 25573 5193 1 10 . 1 1 8 8 ASP H H 8 7.915 7.915 8.763 -0.848 25573 5194 1 10 . 1 1 9 9 TRP N N 9 121.861 121.861 121.674 0.187 25573 5195 1 10 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.525 -0.409 25573 5196 1 10 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.655 -3.693 25573 5197 1 10 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.756 -1.734 25573 5198 1 10 . 1 1 9 9 TRP H H 9 8.222 8.222 7.989 0.233 25573 5199 1 10 . 1 1 10 10 LYS N N 10 118.681 118.681 120.334 -1.653 25573 5200 1 10 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.834 0.448 25573 5201 1 10 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.994 -1.095 25573 5202 1 10 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.420 -4.381 25573 5203 1 10 . 1 1 10 10 LYS H H 10 8.003 8.003 8.154 -0.151 25573 5204 1 10 . 1 1 11 11 MET N N 11 119.366 119.366 118.287 1.079 25573 5205 1 10 . 1 1 11 11 MET HA H 11 4.559 4.559 4.163 0.396 25573 5206 1 10 . 1 1 11 11 MET CA C 11 53.485 53.485 58.298 -4.813 25573 5207 1 10 . 1 1 11 11 MET H H 11 8.041 8.041 8.282 -0.241 25573 5208 1 10 . 1 1 12 12 ALA N N 12 122.650 122.650 122.741 -0.091 25573 5209 1 10 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.036 0.173 25573 5210 1 10 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.975 4.824 25573 5211 1 10 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.324 -0.552 25573 5212 1 10 . 1 1 12 12 ALA H H 12 7.904 7.904 7.842 0.062 25573 5213 1 10 . 1 1 13 13 ILE N N 13 117.322 117.322 117.385 -0.063 25573 5214 1 10 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.797 1.780 25573 5215 1 10 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.623 -7.720 25573 5216 1 10 . 1 1 13 13 ILE H H 13 8.380 8.380 8.057 0.323 25573 5217 1 10 . 1 1 15 15 ARG CA C 15 59.916 59.916 57.770 2.146 25573 5218 1 10 . 1 1 16 16 CYS N N 16 116.263 116.263 119.829 -3.566 25573 5219 1 10 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.176 -0.131 25573 5220 1 10 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.111 -2.328 25573 5221 1 10 . 1 1 16 16 CYS CB C 16 28.810 28.810 27.090 1.720 25573 5222 1 10 . 1 1 16 16 CYS H H 16 7.799 7.799 8.030 -0.231 25573 5223 1 10 . 1 1 17 17 SER N N 17 114.606 114.606 116.542 -1.936 25573 5224 1 10 . 1 1 17 17 SER HA H 17 4.952 4.952 4.449 0.503 25573 5225 1 10 . 1 1 17 17 SER CA C 17 58.171 58.171 61.325 -3.154 25573 5226 1 10 . 1 1 17 17 SER CB C 17 60.740 60.740 63.135 -2.395 25573 5227 1 10 . 1 1 17 17 SER H H 17 7.830 7.830 8.342 -0.512 25573 5228 1 10 . 1 1 18 18 ASN N N 18 116.143 116.143 119.579 -3.436 25573 5229 1 10 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.836 0.172 25573 5230 1 10 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.950 -2.475 25573 5231 1 10 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.639 -1.350 25573 5232 1 10 . 1 1 18 18 ASN H H 18 7.557 7.557 7.851 -0.294 25573 5233 1 10 . 1 1 19 19 VAL N N 19 121.616 121.616 120.044 1.572 25573 5234 1 10 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.202 -0.703 25573 5235 1 10 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.268 -0.538 25573 5236 1 10 . 1 1 19 19 VAL CB C 19 29.042 29.042 33.778 -4.736 25573 5237 1 10 . 1 1 19 19 VAL H H 19 7.919 7.919 7.704 0.215 25573 5238 1 10 . 1 1 20 20 ALA N N 20 129.139 129.139 128.892 0.247 25573 5239 1 10 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.760 0.035 25573 5240 1 10 . 1 1 20 20 ALA C C 20 169.500 169.500 177.712 -8.212 25573 5241 1 10 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.686 -0.271 25573 5242 1 10 . 1 1 20 20 ALA CB C 20 17.716 17.716 22.330 -4.614 25573 5243 1 10 . 1 1 20 20 ALA H H 20 8.150 8.150 7.224 0.926 25573 5244 1 10 . 1 1 21 21 VAL N N 21 120.390 120.390 119.358 1.032 25573 5245 1 10 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.817 -0.050 25573 5246 1 10 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.786 -1.208 25573 5247 1 10 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.409 -1.663 25573 5248 1 10 . 1 1 21 21 VAL H H 21 8.319 8.319 8.449 -0.130 25573 5249 1 10 . 1 1 22 22 GLY N N 22 108.884 108.884 103.952 4.932 25573 5250 1 10 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.910 -2.942 25573 5251 1 10 . 1 1 22 22 GLY H H 22 8.221 8.221 7.156 1.065 25573 5252 1 10 . 1 1 23 23 VAL N N 23 117.439 117.439 119.962 -2.523 25573 5253 1 10 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.003 0.235 25573 5254 1 10 . 1 1 23 23 VAL CA C 23 59.088 59.088 62.713 -3.625 25573 5255 1 10 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.535 -2.101 25573 5256 1 10 . 1 1 23 23 VAL H H 23 8.003 8.003 8.589 -0.586 25573 5257 1 10 . 1 1 24 24 GLY N N 24 112.616 112.616 107.039 5.577 25573 5258 1 10 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.906 -2.127 25573 5259 1 10 . 1 1 24 24 GLY H H 24 8.716 8.716 7.734 0.982 25573 5260 1 10 . 1 1 25 25 GLY N N 25 108.753 108.753 107.327 1.426 25573 5261 1 10 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.786 -3.786 25573 5262 1 10 . 1 1 25 25 GLY H H 25 8.286 8.286 8.331 -0.045 25573 5263 1 10 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.445 -0.069 25573 5264 1 10 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.906 -2.394 25573 5265 1 10 . 1 1 27 27 SER HA H 27 4.922 4.922 4.714 0.208 25573 5266 1 10 . 1 1 27 27 SER CA C 27 56.876 56.876 57.678 -0.802 25573 5267 1 10 . 1 1 27 27 SER CB C 27 64.578 64.578 64.862 -0.284 25573 5268 1 10 . 1 1 27 27 SER H H 27 7.831 7.831 7.963 -0.132 25573 5269 1 10 . 1 1 28 28 LYS N N 28 122.919 122.919 120.015 2.904 25573 5270 1 10 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.540 -0.356 25573 5271 1 10 . 1 1 28 28 LYS CA C 28 56.539 56.539 54.926 1.613 25573 5272 1 10 . 1 1 28 28 LYS CB C 28 33.366 33.366 35.047 -1.681 25573 5273 1 10 . 1 1 28 28 LYS H H 28 8.589 8.589 8.435 0.154 25573 5274 1 10 . 1 1 29 29 LYS N N 29 120.917 120.917 119.567 1.350 25573 5275 1 10 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.863 -0.480 25573 5276 1 10 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.364 -0.829 25573 5277 1 10 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.873 -2.797 25573 5278 1 10 . 1 1 29 29 LYS H H 29 8.471 8.471 8.163 0.308 25573 5279 1 10 . 1 1 30 30 PHE N N 30 119.366 119.366 118.014 1.352 25573 5280 1 10 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.661 -0.803 25573 5281 1 10 . 1 1 30 30 PHE CA C 30 58.172 58.172 55.998 2.174 25573 5282 1 10 . 1 1 30 30 PHE CB C 30 38.242 38.242 41.240 -2.998 25573 5283 1 10 . 1 1 30 30 PHE H H 30 8.000 8.000 7.873 0.127 25573 5284 1 10 . 1 1 31 31 GLY N N 31 106.991 106.991 104.746 2.245 25573 5285 1 10 . 1 1 31 31 GLY CA C 31 40.936 40.936 43.827 -2.891 25573 5286 1 10 . 1 1 31 31 GLY H H 31 8.404 8.404 7.754 0.650 25573 5287 1 10 . 1 1 32 32 GLU N N 32 120.491 120.491 120.378 0.113 25573 5288 1 10 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.002 0.110 25573 5289 1 10 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.364 -1.193 25573 5290 1 10 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.332 -2.026 25573 5291 1 10 . 1 1 32 32 GLU H H 32 9.168 9.168 8.683 0.485 25573 5292 1 10 . 1 1 33 33 GLY N N 33 109.241 109.241 107.217 2.024 25573 5293 1 10 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.694 -3.103 25573 5294 1 10 . 1 1 33 33 GLY H H 33 8.613 8.613 8.402 0.211 25573 5295 1 10 . 1 1 34 34 ASN N N 34 118.241 118.241 120.557 -2.316 25573 5296 1 10 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.442 -0.404 25573 5297 1 10 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.601 -1.138 25573 5298 1 10 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.122 -1.728 25573 5299 1 10 . 1 1 34 34 ASN H H 34 7.897 7.897 7.882 0.015 25573 5300 1 10 . 1 1 35 35 PHE N N 35 117.116 117.116 118.771 -1.655 25573 5301 1 10 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.188 -0.100 25573 5302 1 10 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.162 -0.850 25573 5303 1 10 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.630 -1.802 25573 5304 1 10 . 1 1 35 35 PHE H H 35 7.180 7.180 7.418 -0.238 25573 5305 1 10 . 1 1 36 36 ARG N N 36 117.825 117.825 119.349 -1.524 25573 5306 1 10 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.029 -0.457 25573 5307 1 10 . 1 1 36 36 ARG CA C 36 58.242 58.242 60.111 -1.869 25573 5308 1 10 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.919 4.079 25573 5309 1 10 . 1 1 36 36 ARG H H 36 8.278 8.278 8.026 0.252 25573 5310 1 10 . 1 1 37 37 TRP N N 37 118.845 118.845 121.529 -2.684 25573 5311 1 10 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.227 -0.093 25573 5312 1 10 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.243 -2.343 25573 5313 1 10 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.244 -1.796 25573 5314 1 10 . 1 1 37 37 TRP H H 37 8.106 8.106 8.037 0.069 25573 5315 1 10 . 1 1 38 38 ALA N N 38 119.609 119.609 122.892 -3.283 25573 5316 1 10 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.735 0.694 25573 5317 1 10 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.979 -2.085 25573 5318 1 10 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.655 -2.256 25573 5319 1 10 . 1 1 38 38 ALA H H 38 8.332 8.332 8.000 0.332 25573 5320 1 10 . 1 1 39 39 ILE N N 39 114.866 114.866 119.403 -4.537 25573 5321 1 10 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.573 0.791 25573 5322 1 10 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.021 -10.437 25573 5323 1 10 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.747 -6.255 25573 5324 1 10 . 1 1 39 39 ILE H H 39 8.161 8.161 8.421 -0.260 25573 5325 1 10 . 1 1 40 40 ARG N N 40 120.240 120.240 118.915 1.325 25573 5326 1 10 . 1 1 40 40 ARG HA H 40 4.066 4.066 4.138 -0.072 25573 5327 1 10 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.304 -2.665 25573 5328 1 10 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.971 -0.162 25573 5329 1 10 . 1 1 40 40 ARG H H 40 8.446 8.446 8.268 0.178 25573 5330 1 10 . 1 1 41 41 MET HA H 41 4.305 4.305 3.874 0.431 25573 5331 1 10 . 1 1 41 41 MET CA C 41 53.585 53.585 58.222 -4.637 25573 5332 1 10 . 1 1 41 41 MET CB C 41 29.902 29.902 31.915 -2.013 25573 5333 1 10 . 1 1 42 42 ALA N N 42 122.782 122.782 122.022 0.760 25573 5334 1 10 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.989 0.559 25573 5335 1 10 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.799 -2.523 25573 5336 1 10 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.194 -1.334 25573 5337 1 10 . 1 1 42 42 ALA H H 42 8.556 8.556 7.812 0.744 25573 5338 1 10 . 1 1 43 43 ASN N N 43 119.366 119.366 116.841 2.525 25573 5339 1 10 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.454 0.240 25573 5340 1 10 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.579 -5.242 25573 5341 1 10 . 1 1 43 43 ASN CB C 43 35.691 35.691 37.948 -2.257 25573 5342 1 10 . 1 1 43 43 ASN H H 43 8.613 8.613 8.129 0.484 25573 5343 1 10 . 1 1 44 44 VAL N N 44 118.466 118.466 118.755 -0.289 25573 5344 1 10 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.931 -0.032 25573 5345 1 10 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.490 -2.396 25573 5346 1 10 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.486 -2.565 25573 5347 1 10 . 1 1 44 44 VAL H H 44 8.464 8.464 7.820 0.644 25573 5348 1 10 . 1 1 45 45 SER N N 45 113.763 113.763 116.099 -2.336 25573 5349 1 10 . 1 1 45 45 SER HA H 45 4.328 4.328 4.118 0.210 25573 5350 1 10 . 1 1 45 45 SER CA C 45 58.553 58.553 61.622 -3.069 25573 5351 1 10 . 1 1 45 45 SER CB C 45 61.343 61.343 63.153 -1.810 25573 5352 1 10 . 1 1 45 45 SER H H 45 7.963 7.963 8.387 -0.424 25573 5353 1 10 . 1 1 46 46 THR N N 46 106.729 106.729 110.563 -3.834 25573 5354 1 10 . 1 1 46 46 THR HA H 46 4.602 4.602 4.426 0.176 25573 5355 1 10 . 1 1 46 46 THR CA C 46 58.026 58.026 63.073 -5.047 25573 5356 1 10 . 1 1 46 46 THR CB C 46 67.285 67.285 69.892 -2.607 25573 5357 1 10 . 1 1 46 46 THR H H 46 7.560 7.560 7.834 -0.274 25573 5358 1 10 . 1 1 47 47 GLY N N 47 109.384 109.384 108.804 0.580 25573 5359 1 10 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.063 -1.254 25573 5360 1 10 . 1 1 47 47 GLY H H 47 7.539 7.539 7.370 0.170 25573 5361 1 10 . 1 1 48 48 ARG N N 48 120.563 120.563 119.720 0.843 25573 5362 1 10 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.339 0.014 25573 5363 1 10 . 1 1 48 48 ARG CA C 48 52.339 52.339 55.396 -3.057 25573 5364 1 10 . 1 1 48 48 ARG CB C 48 29.760 29.760 32.575 -2.815 25573 5365 1 10 . 1 1 48 48 ARG H H 48 8.220 8.220 8.100 0.120 25573 5366 1 10 . 1 1 49 49 GLU N N 49 122.874 122.874 117.475 5.399 25573 5367 1 10 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.168 0.154 25573 5368 1 10 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.670 -2.536 25573 5369 1 10 . 1 1 49 49 GLU CB C 49 29.104 29.104 28.373 0.731 25573 5370 1 10 . 1 1 49 49 GLU H H 49 8.661 8.661 8.755 -0.094 25573 5371 1 10 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.342 1.552 25573 5372 1 10 . 1 1 51 51 GLY N N 51 102.859 102.859 107.678 -4.819 25573 5373 1 10 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.385 -2.308 25573 5374 1 10 . 1 1 51 51 GLY H H 51 8.368 8.368 8.174 0.194 25573 5375 1 10 . 1 1 52 52 ASP N N 52 120.491 120.491 121.255 -0.764 25573 5376 1 10 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.765 -0.385 25573 5377 1 10 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.269 -1.588 25573 5378 1 10 . 1 1 52 52 ASP CB C 52 37.801 37.801 43.924 -6.123 25573 5379 1 10 . 1 1 52 52 ASP H H 52 7.204 7.204 7.702 -0.498 25573 5380 1 10 . 1 1 53 53 ILE N N 53 127.662 127.662 121.424 6.238 25573 5381 1 10 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.678 -0.148 25573 5382 1 10 . 1 1 53 53 ILE CA C 53 54.127 54.127 57.871 -3.744 25573 5383 1 10 . 1 1 53 53 ILE CB C 53 35.495 35.495 37.034 -1.539 25573 5384 1 10 . 1 1 53 53 ILE H H 53 8.255 8.255 8.090 0.165 25573 5385 1 10 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.544 -0.058 25573 5386 1 10 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.539 -2.421 25573 5387 1 10 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.792 -3.997 25573 5388 1 10 . 1 1 55 55 GLU N N 55 117.116 117.116 122.618 -5.502 25573 5389 1 10 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.429 0.077 25573 5390 1 10 . 1 1 55 55 GLU CA C 55 54.283 54.283 55.845 -1.562 25573 5391 1 10 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.068 0.614 25573 5392 1 10 . 1 1 55 55 GLU H H 55 8.580 8.580 8.580 0.000 25573 5393 1 10 . 1 1 56 56 THR N N 56 105.122 105.122 116.211 -11.089 25573 5394 1 10 . 1 1 56 56 THR HA H 56 4.832 4.832 4.506 0.326 25573 5395 1 10 . 1 1 56 56 THR CA C 56 55.381 55.381 61.477 -6.096 25573 5396 1 10 . 1 1 56 56 THR CB C 56 70.771 70.771 70.667 0.104 25573 5397 1 10 . 1 1 56 56 THR H H 56 7.367 7.367 7.725 -0.358 25573 5398 1 10 . 1 1 57 57 LEU N N 57 122.564 122.564 128.819 -6.255 25573 5399 1 10 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.235 0.197 25573 5400 1 10 . 1 1 57 57 LEU CA C 57 55.409 55.409 56.662 -1.253 25573 5401 1 10 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.928 -4.067 25573 5402 1 10 . 1 1 57 57 LEU H H 57 9.222 9.222 8.844 0.378 25573 5403 1 10 . 1 1 58 58 ASP N N 58 119.366 119.366 119.976 -0.610 25573 5404 1 10 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.941 0.339 25573 5405 1 10 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.827 -3.470 25573 5406 1 10 . 1 1 58 58 ASP H H 58 8.570 8.570 8.004 0.566 25573 5407 1 10 . 1 1 59 59 GLN N N 59 118.241 118.241 119.540 -1.299 25573 5408 1 10 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.073 -0.041 25573 5409 1 10 . 1 1 59 59 GLN CA C 59 55.917 55.917 59.047 -3.130 25573 5410 1 10 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.872 -2.798 25573 5411 1 10 . 1 1 59 59 GLN H H 59 7.823 7.823 7.634 0.189 25573 5412 1 10 . 1 1 60 60 LEU N N 60 121.691 121.691 120.485 1.206 25573 5413 1 10 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.949 0.130 25573 5414 1 10 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.380 -3.109 25573 5415 1 10 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.844 5.793 25573 5416 1 10 . 1 1 60 60 LEU H H 60 8.187 8.187 7.967 0.220 25573 5417 1 10 . 1 1 61 61 ARG N N 61 117.960 117.960 119.410 -1.450 25573 5418 1 10 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.089 -0.023 25573 5419 1 10 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.267 -3.084 25573 5420 1 10 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.843 -0.926 25573 5421 1 10 . 1 1 61 61 ARG H H 61 9.133 9.133 7.906 1.227 25573 5422 1 10 . 1 1 62 62 LEU N N 62 118.408 118.408 119.592 -1.184 25573 5423 1 10 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.209 -0.183 25573 5424 1 10 . 1 1 62 62 LEU CA C 62 56.080 56.080 56.888 -0.808 25573 5425 1 10 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.200 -2.836 25573 5426 1 10 . 1 1 62 62 LEU H H 62 7.817 7.817 7.887 -0.070 25573 5427 1 10 . 1 1 63 63 VAL N N 63 119.177 119.177 120.723 -1.546 25573 5428 1 10 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.640 -0.103 25573 5429 1 10 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.001 -2.500 25573 5430 1 10 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.389 -2.505 25573 5431 1 10 . 1 1 63 63 VAL H H 63 7.368 7.368 7.767 -0.399 25573 5432 1 10 . 1 1 64 64 ILE N N 64 119.068 119.068 120.478 -1.410 25573 5433 1 10 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.637 -0.097 25573 5434 1 10 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.011 -0.530 25573 5435 1 10 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.911 -3.199 25573 5436 1 10 . 1 1 64 64 ILE H H 64 8.320 8.320 7.915 0.405 25573 5437 1 10 . 1 1 65 65 CYS N N 65 119.131 119.131 118.774 0.357 25573 5438 1 10 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.037 0.293 25573 5439 1 10 . 1 1 65 65 CYS CA C 65 60.908 60.908 64.218 -3.310 25573 5440 1 10 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.458 -3.566 25573 5441 1 10 . 1 1 65 65 CYS H H 65 9.076 9.076 7.908 1.168 25573 5442 1 10 . 1 1 66 66 ASP N N 66 120.537 120.537 120.699 -0.162 25573 5443 1 10 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.357 -0.045 25573 5444 1 10 . 1 1 66 66 ASP CA C 66 57.764 57.764 56.968 0.796 25573 5445 1 10 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.624 -2.439 25573 5446 1 10 . 1 1 66 66 ASP H H 66 8.512 8.512 7.948 0.564 25573 5447 1 10 . 1 1 67 67 LEU N N 67 119.364 119.364 120.885 -1.521 25573 5448 1 10 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.972 -0.002 25573 5449 1 10 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.155 -1.169 25573 5450 1 10 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.972 -9.226 25573 5451 1 10 . 1 1 67 67 LEU H H 67 8.971 8.971 8.520 0.451 25573 5452 1 10 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.042 0.387 25573 5453 1 10 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.819 -4.053 25573 5454 1 10 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.738 0.063 25573 5455 1 10 . 1 1 70 70 ARG N N 70 122.186 122.186 119.965 2.221 25573 5456 1 10 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.073 0.413 25573 5457 1 10 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.177 -6.644 25573 5458 1 10 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.154 0.187 25573 5459 1 10 . 1 1 70 70 ARG H H 70 8.345 8.345 8.031 0.314 25573 5460 1 10 . 1 1 71 71 ARG N N 71 121.616 121.616 118.112 3.504 25573 5461 1 10 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.071 -1.447 25573 5462 1 10 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.842 -4.663 25573 5463 1 10 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.567 0.440 25573 5464 1 10 . 1 1 71 71 ARG H H 71 8.480 8.480 8.551 -0.071 25573 5465 1 10 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.060 0.012 25573 5466 1 10 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.309 -2.333 25573 5467 1 10 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.024 -1.272 25573 5468 1 10 . 1 1 74 74 PHE N N 74 115.001 115.001 117.357 -2.356 25573 5469 1 10 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.327 0.495 25573 5470 1 10 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.331 -4.210 25573 5471 1 10 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.538 -2.950 25573 5472 1 10 . 1 1 74 74 PHE H H 74 8.530 8.530 7.723 0.807 25573 5473 1 10 . 1 1 75 75 GLY N N 75 110.366 110.366 105.411 4.955 25573 5474 1 10 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.477 -2.474 25573 5475 1 10 . 1 1 75 75 GLY H H 75 7.799 7.799 7.553 0.246 25573 5476 1 10 . 1 1 76 76 SER N N 76 113.283 113.283 115.085 -1.802 25573 5477 1 10 . 1 1 76 76 SER HA H 76 4.523 4.523 5.013 -0.490 25573 5478 1 10 . 1 1 76 76 SER CA C 76 54.361 54.361 57.136 -2.775 25573 5479 1 10 . 1 1 76 76 SER CB C 76 61.887 61.887 64.246 -2.359 25573 5480 1 10 . 1 1 76 76 SER H H 76 8.417 8.417 8.368 0.049 25573 5481 1 10 . 1 1 77 77 SER N N 77 114.950 114.950 119.269 -4.319 25573 5482 1 10 . 1 1 77 77 SER HA H 77 4.535 4.535 4.868 -0.333 25573 5483 1 10 . 1 1 77 77 SER CA C 77 53.833 53.833 57.147 -3.314 25573 5484 1 10 . 1 1 77 77 SER CB C 77 63.488 63.488 64.931 -1.443 25573 5485 1 10 . 1 1 77 77 SER H H 77 8.428 8.428 7.955 0.473 25573 5486 1 10 . 1 1 78 78 LYS N N 78 122.032 122.032 124.114 -2.082 25573 5487 1 10 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.000 0.675 25573 5488 1 10 . 1 1 78 78 LYS CA C 78 54.127 54.127 58.981 -4.854 25573 5489 1 10 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.169 -2.934 25573 5490 1 10 . 1 1 78 78 LYS H H 78 9.044 9.044 8.867 0.177 25573 5491 1 10 . 1 1 79 79 GLU N N 79 118.232 118.232 120.107 -1.875 25573 5492 1 10 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.110 0.182 25573 5493 1 10 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.333 -1.229 25573 5494 1 10 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.865 -3.019 25573 5495 1 10 . 1 1 79 79 GLU H H 79 8.795 8.795 7.789 1.006 25573 5496 1 10 . 1 1 80 80 ILE N N 80 120.491 120.491 120.073 0.418 25573 5497 1 10 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.832 -0.103 25573 5498 1 10 . 1 1 80 80 ILE CA C 80 62.466 62.466 63.691 -1.225 25573 5499 1 10 . 1 1 80 80 ILE CB C 80 36.109 36.109 36.880 -0.771 25573 5500 1 10 . 1 1 80 80 ILE H H 80 7.892 7.892 7.714 0.178 25573 5501 1 10 . 1 1 81 81 ASP N N 81 120.491 120.491 120.246 0.245 25573 5502 1 10 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.341 -0.035 25573 5503 1 10 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.400 -2.026 25573 5504 1 10 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.851 -3.475 25573 5505 1 10 . 1 1 81 81 ASP H H 81 8.424 8.424 8.552 -0.128 25573 5506 1 10 . 1 1 82 82 MET N N 82 118.588 118.588 118.163 0.425 25573 5507 1 10 . 1 1 82 82 MET HA H 82 4.610 4.610 4.097 0.513 25573 5508 1 10 . 1 1 82 82 MET CA C 82 54.472 54.472 59.077 -4.605 25573 5509 1 10 . 1 1 82 82 MET CB C 82 29.557 29.557 32.537 -2.980 25573 5510 1 10 . 1 1 82 82 MET H H 82 8.215 8.215 8.051 0.164 25573 5511 1 10 . 1 1 83 83 ALA N N 83 127.525 127.525 123.564 3.961 25573 5512 1 10 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.186 -0.087 25573 5513 1 10 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.145 -1.237 25573 5514 1 10 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.284 -3.474 25573 5515 1 10 . 1 1 83 83 ALA H H 83 10.165 10.165 7.780 2.385 25573 5516 1 10 . 1 1 84 84 ILE N N 84 115.968 115.968 118.470 -2.502 25573 5517 1 10 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.684 -0.150 25573 5518 1 10 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.292 -0.915 25573 5519 1 10 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.826 -2.409 25573 5520 1 10 . 1 1 84 84 ILE H H 84 8.437 8.437 7.807 0.630 25573 5521 1 10 . 1 1 85 85 VAL N N 85 117.106 117.106 119.723 -2.617 25573 5522 1 10 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.655 0.390 25573 5523 1 10 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.631 -10.706 25573 5524 1 10 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.805 -1.620 25573 5525 1 10 . 1 1 85 85 VAL H H 85 7.835 7.835 7.844 -0.009 25573 5526 1 10 . 1 1 86 86 THR N N 86 116.673 116.673 114.641 2.032 25573 5527 1 10 . 1 1 86 86 THR HA H 86 4.181 4.181 4.138 0.043 25573 5528 1 10 . 1 1 86 86 THR CA C 86 59.627 59.627 66.358 -6.731 25573 5529 1 10 . 1 1 86 86 THR CB C 86 65.856 65.856 68.950 -3.094 25573 5530 1 10 . 1 1 86 86 THR H H 86 8.254 8.254 8.257 -0.003 25573 5531 1 10 . 1 1 87 87 LEU N N 87 121.447 121.447 122.518 -1.071 25573 5532 1 10 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.156 0.426 25573 5533 1 10 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.934 -1.077 25573 5534 1 10 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.263 -9.438 25573 5535 1 10 . 1 1 87 87 LEU H H 87 7.913 7.913 8.036 -0.123 25573 5536 1 10 . 1 1 88 88 LYS N N 88 119.505 119.505 119.671 -0.166 25573 5537 1 10 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.749 0.392 25573 5538 1 10 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.742 -3.672 25573 5539 1 10 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.365 -2.478 25573 5540 1 10 . 1 1 88 88 LYS H H 88 7.970 7.970 7.610 0.360 25573 5541 1 10 . 1 1 89 89 VAL N N 89 119.366 119.366 119.492 -0.126 25573 5542 1 10 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.585 0.235 25573 5543 1 10 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.815 -9.859 25573 5544 1 10 . 1 1 89 89 VAL H H 89 8.082 8.082 7.835 0.247 25573 5545 1 10 . 1 1 90 90 PHE N N 90 119.366 119.366 120.063 -0.697 25573 5546 1 10 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.962 0.462 25573 5547 1 10 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.285 -4.133 25573 5548 1 10 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.255 -2.625 25573 5549 1 10 . 1 1 90 90 PHE H H 90 8.104 8.104 8.607 -0.503 25573 5550 1 10 . 1 1 91 91 ALA N N 91 118.916 118.916 121.898 -2.982 25573 5551 1 10 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.600 0.916 25573 5552 1 10 . 1 1 91 91 ALA CA C 91 54.412 54.412 55.023 -0.611 25573 5553 1 10 . 1 1 91 91 ALA CB C 91 15.890 15.890 17.942 -2.052 25573 5554 1 10 . 1 1 91 91 ALA H H 91 8.187 8.187 7.444 0.743 25573 5555 1 10 . 1 1 92 92 VAL N N 92 113.741 113.741 119.205 -5.464 25573 5556 1 10 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.599 -0.012 25573 5557 1 10 . 1 1 92 92 VAL CA C 92 63.579 63.579 67.363 -3.784 25573 5558 1 10 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.672 -0.880 25573 5559 1 10 . 1 1 92 92 VAL H H 92 8.196 8.196 7.724 0.472 25573 5560 1 10 . 1 1 93 93 ALA N N 93 119.366 119.366 120.363 -0.997 25573 5561 1 10 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.264 0.430 25573 5562 1 10 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.571 -4.290 25573 5563 1 10 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.124 -1.409 25573 5564 1 10 . 1 1 93 93 ALA H H 93 8.564 8.564 8.366 0.198 25573 5565 1 10 . 1 1 94 94 GLY N N 94 104.958 104.958 107.440 -2.482 25573 5566 1 10 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.979 -2.055 25573 5567 1 10 . 1 1 94 94 GLY H H 94 6.940 6.940 7.339 -0.399 25573 5568 1 10 . 1 1 95 95 LEU N N 95 120.679 120.679 121.426 -0.747 25573 5569 1 10 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.097 -0.092 25573 5570 1 10 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.220 -2.816 25573 5571 1 10 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.102 -2.877 25573 5572 1 10 . 1 1 95 95 LEU H H 95 7.724 7.724 8.005 -0.281 25573 5573 1 10 . 1 1 96 96 LEU N N 96 115.261 115.261 117.104 -1.843 25573 5574 1 10 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.312 -0.037 25573 5575 1 10 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.656 -2.386 25573 5576 1 10 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.308 -3.622 25573 5577 1 10 . 1 1 96 96 LEU H H 96 7.723 7.723 7.687 0.036 25573 5578 1 10 . 1 1 97 97 ASN N N 97 112.672 112.672 114.224 -1.552 25573 5579 1 10 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.422 -0.181 25573 5580 1 10 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.065 -2.865 25573 5581 1 10 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.192 -2.747 25573 5582 1 10 . 1 1 97 97 ASN H H 97 6.694 6.694 7.411 -0.717 25573 5583 1 10 . 1 1 98 98 MET N N 98 115.968 115.968 116.674 -0.706 25573 5584 1 10 . 1 1 98 98 MET HA H 98 4.614 4.614 4.494 0.120 25573 5585 1 10 . 1 1 98 98 MET CA C 98 51.685 51.685 56.414 -4.729 25573 5586 1 10 . 1 1 98 98 MET CB C 98 29.808 29.808 33.479 -3.671 25573 5587 1 10 . 1 1 98 98 MET H H 98 8.168 8.168 7.500 0.668 25573 5588 1 10 . 1 1 99 99 THR N N 99 118.683 118.683 116.761 1.922 25573 5589 1 10 . 1 1 99 99 THR HA H 99 4.184 4.184 4.450 -0.266 25573 5590 1 10 . 1 1 99 99 THR CA C 99 59.813 59.813 60.790 -0.977 25573 5591 1 10 . 1 1 99 99 THR CB C 99 65.438 65.438 68.243 -2.805 25573 5592 1 10 . 1 1 99 99 THR H H 99 8.562 8.562 8.388 0.174 25573 5593 1 10 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.105 0.014 25573 5594 1 10 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.973 -5.271 25573 5595 1 10 . 1 1 100 100 VAL H H 100 8.392 8.392 7.663 0.729 25573 5596 1 10 . 1 1 101 101 SER N N 101 121.736 121.736 120.306 1.430 25573 5597 1 10 . 1 1 101 101 SER HA H 101 4.645 4.645 4.830 -0.185 25573 5598 1 10 . 1 1 101 101 SER CA C 101 56.852 56.852 58.082 -1.230 25573 5599 1 10 . 1 1 101 101 SER CB C 101 61.739 61.739 63.487 -1.748 25573 5600 1 10 . 1 1 101 101 SER H H 101 8.079 8.079 8.721 -0.642 25573 5601 1 10 . 1 1 102 102 THR N N 102 110.147 110.147 110.241 -0.094 25573 5602 1 10 . 1 1 102 102 THR HA H 102 5.450 5.450 4.787 0.663 25573 5603 1 10 . 1 1 102 102 THR CA C 102 56.522 56.522 60.620 -4.098 25573 5604 1 10 . 1 1 102 102 THR CB C 102 71.007 71.007 71.109 -0.102 25573 5605 1 10 . 1 1 102 102 THR H H 102 7.276 7.276 7.252 0.024 25573 5606 1 10 . 1 1 103 103 ALA N N 103 124.013 124.013 129.128 -5.115 25573 5607 1 10 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.008 -0.054 25573 5608 1 10 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.425 -3.147 25573 5609 1 10 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.719 -3.035 25573 5610 1 10 . 1 1 103 103 ALA H H 103 8.433 8.433 8.415 0.018 25573 5611 1 10 . 1 1 104 104 ALA N N 104 119.649 119.649 120.346 -0.697 25573 5612 1 10 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.091 0.195 25573 5613 1 10 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.485 -2.183 25573 5614 1 10 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.288 -1.768 25573 5615 1 10 . 1 1 104 104 ALA H H 104 8.474 8.474 8.246 0.228 25573 5616 1 10 . 1 1 105 105 ALA N N 105 120.587 120.587 121.009 -0.422 25573 5617 1 10 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.971 0.293 25573 5618 1 10 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.752 -2.554 25573 5619 1 10 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.477 -2.732 25573 5620 1 10 . 1 1 105 105 ALA H H 105 8.050 8.050 7.621 0.429 25573 5621 1 10 . 1 1 106 106 ALA N N 106 121.752 121.752 121.573 0.179 25573 5622 1 10 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.936 -0.669 25573 5623 1 10 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.257 -3.746 25573 5624 1 10 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.372 -2.324 25573 5625 1 10 . 1 1 106 106 ALA H H 106 8.071 8.071 7.913 0.158 25573 5626 1 10 . 1 1 107 107 GLU N N 107 119.133 119.133 118.179 0.954 25573 5627 1 10 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.061 -0.202 25573 5628 1 10 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.092 -1.757 25573 5629 1 10 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.578 -2.469 25573 5630 1 10 . 1 1 107 107 GLU H H 107 8.711 8.711 8.046 0.665 25573 5631 1 10 . 1 1 108 108 ASN N N 108 118.306 118.306 119.070 -0.764 25573 5632 1 10 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.492 0.109 25573 5633 1 10 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.319 -2.348 25573 5634 1 10 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.390 -2.938 25573 5635 1 10 . 1 1 108 108 ASN H H 108 8.045 8.045 8.131 -0.086 25573 5636 1 10 . 1 1 109 109 MET N N 109 120.038 120.038 119.673 0.365 25573 5637 1 10 . 1 1 109 109 MET HA H 109 4.305 4.305 4.221 0.084 25573 5638 1 10 . 1 1 109 109 MET CA C 109 55.602 55.602 58.772 -3.170 25573 5639 1 10 . 1 1 109 109 MET CB C 109 29.771 29.771 32.733 -2.962 25573 5640 1 10 . 1 1 109 109 MET H H 109 8.401 8.401 7.860 0.541 25573 5641 1 10 . 1 1 110 110 TYR N N 110 121.616 121.616 120.381 1.235 25573 5642 1 10 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.076 -0.413 25573 5643 1 10 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.983 -3.058 25573 5644 1 10 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.361 -2.435 25573 5645 1 10 . 1 1 110 110 TYR H H 110 8.651 8.651 8.490 0.161 25573 5646 1 10 . 1 1 111 111 SER N N 111 110.621 110.621 113.506 -2.885 25573 5647 1 10 . 1 1 111 111 SER HA H 111 4.540 4.540 4.094 0.446 25573 5648 1 10 . 1 1 111 111 SER CA C 111 58.395 58.395 61.478 -3.083 25573 5649 1 10 . 1 1 111 111 SER CB C 111 60.600 60.600 63.330 -2.730 25573 5650 1 10 . 1 1 111 111 SER H H 111 7.394 7.394 8.429 -1.035 25573 5651 1 10 . 1 1 112 112 GLN N N 112 125.643 125.643 120.184 5.459 25573 5652 1 10 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.024 0.035 25573 5653 1 10 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.228 -2.145 25573 5654 1 10 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.713 -3.068 25573 5655 1 10 . 1 1 112 112 GLN H H 112 8.774 8.774 7.778 0.996 25573 5656 1 10 . 1 1 113 113 MET N N 113 114.866 114.866 116.630 -1.764 25573 5657 1 10 . 1 1 113 113 MET HA H 113 4.275 4.275 4.333 -0.058 25573 5658 1 10 . 1 1 113 113 MET CA C 113 53.246 53.246 56.475 -3.229 25573 5659 1 10 . 1 1 113 113 MET CB C 113 31.365 31.365 33.831 -2.466 25573 5660 1 10 . 1 1 113 113 MET H H 113 8.070 8.070 7.814 0.256 25573 5661 1 10 . 1 1 114 114 GLY N N 114 107.252 107.252 106.575 0.677 25573 5662 1 10 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.216 -2.256 25573 5663 1 10 . 1 1 114 114 GLY H H 114 8.012 8.012 7.679 0.333 25573 5664 1 10 . 1 1 115 115 LEU N N 115 114.939 114.939 117.509 -2.570 25573 5665 1 10 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.385 -0.509 25573 5666 1 10 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.461 -1.252 25573 5667 1 10 . 1 1 115 115 LEU CB C 115 35.458 35.458 42.198 -6.740 25573 5668 1 10 . 1 1 115 115 LEU H H 115 7.447 7.447 7.931 -0.484 25573 5669 1 10 . 1 1 116 116 ASP N N 116 116.423 116.423 120.478 -4.055 25573 5670 1 10 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.778 -0.108 25573 5671 1 10 . 1 1 116 116 ASP CA C 116 52.303 52.303 55.634 -3.331 25573 5672 1 10 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.151 -5.832 25573 5673 1 10 . 1 1 116 116 ASP H H 116 8.518 8.518 7.329 1.189 25573 5674 1 10 . 1 1 117 117 THR N N 117 113.582 113.582 114.897 -1.315 25573 5675 1 10 . 1 1 117 117 THR HA H 117 4.194 4.194 4.559 -0.365 25573 5676 1 10 . 1 1 117 117 THR CA C 117 58.925 58.925 61.650 -2.725 25573 5677 1 10 . 1 1 117 117 THR CB C 117 67.320 67.320 69.279 -1.959 25573 5678 1 10 . 1 1 117 117 THR H H 117 7.240 7.240 8.292 -1.052 25573 5679 1 10 . 1 1 118 118 ARG N N 118 126.068 126.068 122.023 4.045 25573 5680 1 10 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.626 -0.060 25573 5681 1 10 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.971 -2.628 25573 5682 1 10 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.475 2.233 25573 5683 1 10 . 1 1 118 118 ARG H H 118 8.711 8.711 7.766 0.945 25573 5684 1 10 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.678 -2.600 25573 5685 1 10 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.985 -2.942 25573 5686 1 10 . 1 1 120 120 SER N N 120 116.251 116.251 117.749 -1.498 25573 5687 1 10 . 1 1 120 120 SER HA H 120 4.385 4.385 4.756 -0.371 25573 5688 1 10 . 1 1 120 120 SER CA C 120 55.352 55.352 57.036 -1.684 25573 5689 1 10 . 1 1 120 120 SER CB C 120 61.037 61.037 64.608 -3.571 25573 5690 1 10 . 1 1 120 120 SER H H 120 8.385 8.385 8.328 0.057 25573 5691 1 10 . 1 1 121 121 MET N N 121 123.171 123.171 122.333 0.838 25573 5692 1 10 . 1 1 121 121 MET HA H 121 4.289 4.289 4.517 -0.228 25573 5693 1 10 . 1 1 121 121 MET CA C 121 53.282 53.282 54.978 -1.696 25573 5694 1 10 . 1 1 121 121 MET CB C 121 30.755 30.755 31.172 -0.417 25573 5695 1 10 . 1 1 121 121 MET H H 121 8.297 8.297 8.506 -0.209 25573 5696 1 10 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.594 -0.336 25573 5697 1 10 . 1 1 122 122 LYS CA C 122 53.669 53.669 55.725 -2.056 25573 5698 1 10 . 1 1 123 123 GLU N N 123 122.135 122.135 120.965 1.170 25573 5699 1 10 . 1 1 123 123 GLU CA C 123 47.903 47.903 55.702 -7.799 25573 5700 1 10 . 1 1 123 123 GLU CB C 123 30.404 30.404 32.184 -1.780 25573 5701 1 10 . 1 1 123 123 GLU H H 123 8.505 8.505 8.514 -0.009 25573 5702 1 10 . 1 1 124 124 ALA N N 124 125.340 125.340 122.463 2.877 25573 5703 1 10 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.612 -0.281 25573 5704 1 10 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.984 -2.151 25573 5705 1 10 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.380 -3.715 25573 5706 1 10 . 1 1 124 124 ALA H H 124 8.422 8.422 8.393 0.029 25573 5707 1 10 . 1 1 125 125 GLY N N 125 108.426 108.426 108.124 0.302 25573 5708 1 10 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.734 -2.993 25573 5709 1 10 . 1 1 125 125 GLY H H 125 8.401 8.401 8.301 0.100 25573 5710 1 10 . 1 1 126 126 GLY N N 126 109.792 109.792 112.263 -2.471 25573 5711 1 10 . 1 1 126 126 GLY CA C 126 42.247 42.247 45.089 -2.842 25573 5712 1 10 . 1 1 126 126 GLY H H 126 8.515 8.515 8.221 0.294 25573 5713 1 10 . 1 1 127 127 LYS N N 127 120.366 120.366 122.439 -2.073 25573 5714 1 10 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.105 0.216 25573 5715 1 10 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.784 -3.240 25573 5716 1 10 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.499 -2.147 25573 5717 1 10 . 1 1 127 127 LYS H H 127 8.244 8.244 8.499 -0.255 25573 5718 1 10 . 1 1 128 128 GLU N N 128 122.270 122.270 124.358 -2.088 25573 5719 1 10 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.182 -0.138 25573 5720 1 10 . 1 1 128 128 GLU H H 128 8.559 8.559 8.550 0.009 25573 5721 1 10 . 1 1 129 129 GLU N N 129 122.282 122.282 121.582 0.700 25573 5722 1 10 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.950 -0.415 25573 5723 1 10 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.846 -1.657 25573 5724 1 10 . 1 1 129 129 GLU H H 129 8.027 8.027 8.426 -0.399 25573 5725 1 10 . 1 1 130 130 GLY N N 130 110.258 110.258 112.358 -2.100 25573 5726 1 10 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.947 -3.286 25573 5727 1 10 . 1 1 130 130 GLY H H 130 10.190 10.190 8.460 1.730 25573 5728 1 10 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.481 -0.102 25573 5729 1 10 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.007 -2.538 25573 5730 1 10 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.227 -2.996 25573 5731 1 10 . 1 1 133 133 GLN N N 133 119.932 119.932 118.755 1.177 25573 5732 1 10 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.676 -0.357 25573 5733 1 10 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.938 -2.689 25573 5734 1 10 . 1 1 133 133 GLN CB C 133 29.655 29.655 31.414 -1.759 25573 5735 1 10 . 1 1 133 133 GLN H H 133 8.478 8.478 8.846 -0.368 25573 5736 1 10 . 1 1 134 134 ALA N N 134 124.828 124.828 121.812 3.016 25573 5737 1 10 . 1 1 134 134 ALA HA H 134 4.249 4.249 3.997 0.252 25573 5738 1 10 . 1 1 134 134 ALA CA C 134 49.692 49.692 53.223 -3.531 25573 5739 1 10 . 1 1 134 134 ALA CB C 134 16.024 16.024 17.702 -1.678 25573 5740 1 10 . 1 1 134 134 ALA H H 134 8.263 8.263 8.521 -0.258 25573 5741 1 11 . 1 1 3 3 ASN N N 3 119.366 119.366 118.636 0.730 25573 5742 1 11 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.836 -0.253 25573 5743 1 11 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.414 -2.023 25573 5744 1 11 . 1 1 3 3 ASN CB C 3 35.712 35.712 39.407 -3.695 25573 5745 1 11 . 1 1 3 3 ASN H H 3 8.596 8.596 8.461 0.135 25573 5746 1 11 . 1 1 4 4 GLY N N 4 112.829 112.829 107.803 5.026 25573 5747 1 11 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.570 -2.868 25573 5748 1 11 . 1 1 4 4 GLY H H 4 8.073 8.073 8.469 -0.396 25573 5749 1 11 . 1 1 5 5 ALA N N 5 123.630 123.630 123.176 0.454 25573 5750 1 11 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.760 -0.357 25573 5751 1 11 . 1 1 5 5 ALA CA C 5 49.640 49.640 51.646 -2.006 25573 5752 1 11 . 1 1 5 5 ALA CB C 5 16.414 16.414 20.189 -3.775 25573 5753 1 11 . 1 1 5 5 ALA H H 5 8.008 8.008 7.688 0.320 25573 5754 1 11 . 1 1 6 6 SER N N 6 114.866 114.866 115.540 -0.674 25573 5755 1 11 . 1 1 6 6 SER HA H 6 4.270 4.270 4.823 -0.553 25573 5756 1 11 . 1 1 6 6 SER CA C 6 56.023 56.023 57.823 -1.800 25573 5757 1 11 . 1 1 6 6 SER CB C 6 60.936 60.936 63.663 -2.727 25573 5758 1 11 . 1 1 6 6 SER H H 6 8.293 8.293 8.569 -0.276 25573 5759 1 11 . 1 1 7 7 ARG N N 7 119.250 119.250 121.607 -2.357 25573 5760 1 11 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.172 0.334 25573 5761 1 11 . 1 1 7 7 ARG CB C 7 30.422 30.422 29.930 0.492 25573 5762 1 11 . 1 1 7 7 ARG H H 7 8.305 8.305 8.168 0.137 25573 5763 1 11 . 1 1 8 8 ASP N N 8 119.662 119.662 118.861 0.801 25573 5764 1 11 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.443 -0.290 25573 5765 1 11 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.898 -1.344 25573 5766 1 11 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.554 -14.053 25573 5767 1 11 . 1 1 8 8 ASP H H 8 7.915 7.915 8.637 -0.722 25573 5768 1 11 . 1 1 9 9 TRP N N 9 121.861 121.861 121.601 0.260 25573 5769 1 11 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.441 -0.325 25573 5770 1 11 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.829 -4.867 25573 5771 1 11 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.886 -1.864 25573 5772 1 11 . 1 1 9 9 TRP H H 9 8.222 8.222 7.858 0.364 25573 5773 1 11 . 1 1 10 10 LYS N N 10 118.681 118.681 120.858 -2.177 25573 5774 1 11 . 1 1 10 10 LYS HA H 10 4.282 4.282 4.021 0.261 25573 5775 1 11 . 1 1 10 10 LYS CA C 10 58.899 58.899 60.194 -1.295 25573 5776 1 11 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.730 -4.691 25573 5777 1 11 . 1 1 10 10 LYS H H 10 8.003 8.003 7.906 0.097 25573 5778 1 11 . 1 1 11 11 MET N N 11 119.366 119.366 116.032 3.334 25573 5779 1 11 . 1 1 11 11 MET HA H 11 4.559 4.559 4.261 0.298 25573 5780 1 11 . 1 1 11 11 MET CA C 11 53.485 53.485 58.790 -5.305 25573 5781 1 11 . 1 1 11 11 MET H H 11 8.041 8.041 8.456 -0.415 25573 5782 1 11 . 1 1 12 12 ALA N N 12 122.650 122.650 123.912 -1.262 25573 5783 1 11 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.094 0.115 25573 5784 1 11 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.870 4.929 25573 5785 1 11 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.382 -0.610 25573 5786 1 11 . 1 1 12 12 ALA H H 12 7.904 7.904 7.732 0.172 25573 5787 1 11 . 1 1 13 13 ILE N N 13 117.322 117.322 117.529 -0.207 25573 5788 1 11 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.997 0.581 25573 5789 1 11 . 1 1 13 13 ILE CB C 13 28.903 28.903 37.617 -8.714 25573 5790 1 11 . 1 1 13 13 ILE H H 13 8.380 8.380 7.840 0.540 25573 5791 1 11 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.422 1.494 25573 5792 1 11 . 1 1 16 16 CYS N N 16 116.263 116.263 120.770 -4.507 25573 5793 1 11 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.314 -0.269 25573 5794 1 11 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.623 -1.839 25573 5795 1 11 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.045 2.765 25573 5796 1 11 . 1 1 16 16 CYS H H 16 7.799 7.799 8.144 -0.345 25573 5797 1 11 . 1 1 17 17 SER N N 17 114.606 114.606 116.906 -2.300 25573 5798 1 11 . 1 1 17 17 SER HA H 17 4.952 4.952 3.936 1.016 25573 5799 1 11 . 1 1 17 17 SER CA C 17 58.171 58.171 61.250 -3.079 25573 5800 1 11 . 1 1 17 17 SER CB C 17 60.740 60.740 62.676 -1.936 25573 5801 1 11 . 1 1 17 17 SER H H 17 7.830 7.830 8.033 -0.203 25573 5802 1 11 . 1 1 18 18 ASN N N 18 116.143 116.143 118.587 -2.444 25573 5803 1 11 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.480 0.528 25573 5804 1 11 . 1 1 18 18 ASN CA C 18 50.475 50.475 54.865 -4.390 25573 5805 1 11 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.670 -1.381 25573 5806 1 11 . 1 1 18 18 ASN H H 18 7.557 7.557 7.650 -0.093 25573 5807 1 11 . 1 1 19 19 VAL N N 19 121.616 121.616 121.053 0.563 25573 5808 1 11 . 1 1 19 19 VAL HA H 19 3.499 3.499 3.984 -0.485 25573 5809 1 11 . 1 1 19 19 VAL CA C 19 59.730 59.730 63.486 -3.756 25573 5810 1 11 . 1 1 19 19 VAL CB C 19 29.042 29.042 31.266 -2.224 25573 5811 1 11 . 1 1 19 19 VAL H H 19 7.919 7.919 7.948 -0.029 25573 5812 1 11 . 1 1 20 20 ALA N N 20 129.139 129.139 129.774 -0.635 25573 5813 1 11 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.725 0.070 25573 5814 1 11 . 1 1 20 20 ALA C C 20 169.500 169.500 178.216 -8.716 25573 5815 1 11 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.001 -0.586 25573 5816 1 11 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.693 -3.977 25573 5817 1 11 . 1 1 20 20 ALA H H 20 8.150 8.150 7.975 0.175 25573 5818 1 11 . 1 1 21 21 VAL N N 21 120.390 120.390 120.073 0.317 25573 5819 1 11 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.554 0.213 25573 5820 1 11 . 1 1 21 21 VAL CA C 21 63.578 63.578 65.472 -1.894 25573 5821 1 11 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.455 -1.709 25573 5822 1 11 . 1 1 21 21 VAL H H 21 8.319 8.319 7.850 0.469 25573 5823 1 11 . 1 1 22 22 GLY N N 22 108.884 108.884 104.598 4.286 25573 5824 1 11 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.202 -2.233 25573 5825 1 11 . 1 1 22 22 GLY H H 22 8.221 8.221 7.480 0.741 25573 5826 1 11 . 1 1 23 23 VAL N N 23 117.439 117.439 115.558 1.881 25573 5827 1 11 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.221 0.017 25573 5828 1 11 . 1 1 23 23 VAL CA C 23 59.088 59.088 62.912 -3.824 25573 5829 1 11 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.087 -1.653 25573 5830 1 11 . 1 1 23 23 VAL H H 23 8.003 8.003 8.302 -0.299 25573 5831 1 11 . 1 1 24 24 GLY N N 24 112.616 112.616 106.102 6.514 25573 5832 1 11 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.162 -1.383 25573 5833 1 11 . 1 1 24 24 GLY H H 24 8.716 8.716 7.997 0.719 25573 5834 1 11 . 1 1 25 25 GLY N N 25 108.753 108.753 109.170 -0.417 25573 5835 1 11 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.733 -3.733 25573 5836 1 11 . 1 1 25 25 GLY H H 25 8.286 8.286 8.293 -0.007 25573 5837 1 11 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.280 0.096 25573 5838 1 11 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.247 -2.735 25573 5839 1 11 . 1 1 27 27 SER HA H 27 4.922 4.922 4.509 0.413 25573 5840 1 11 . 1 1 27 27 SER CA C 27 56.876 56.876 57.971 -1.095 25573 5841 1 11 . 1 1 27 27 SER CB C 27 64.578 64.578 62.754 1.824 25573 5842 1 11 . 1 1 27 27 SER H H 27 7.831 7.831 8.538 -0.707 25573 5843 1 11 . 1 1 28 28 LYS N N 28 122.919 122.919 126.802 -3.883 25573 5844 1 11 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.448 -0.264 25573 5845 1 11 . 1 1 28 28 LYS CA C 28 56.539 56.539 56.297 0.242 25573 5846 1 11 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.972 -1.606 25573 5847 1 11 . 1 1 28 28 LYS H H 28 8.589 8.589 8.171 0.418 25573 5848 1 11 . 1 1 29 29 LYS N N 29 120.917 120.917 123.980 -3.063 25573 5849 1 11 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.390 -0.007 25573 5850 1 11 . 1 1 29 29 LYS CA C 29 53.535 53.535 56.365 -2.830 25573 5851 1 11 . 1 1 29 29 LYS CB C 29 32.076 32.076 33.394 -1.318 25573 5852 1 11 . 1 1 29 29 LYS H H 29 8.471 8.471 8.336 0.135 25573 5853 1 11 . 1 1 30 30 PHE N N 30 119.366 119.366 120.187 -0.821 25573 5854 1 11 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.580 -0.722 25573 5855 1 11 . 1 1 30 30 PHE CA C 30 58.172 58.172 58.730 -0.558 25573 5856 1 11 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.116 -1.874 25573 5857 1 11 . 1 1 30 30 PHE H H 30 8.000 8.000 7.997 0.003 25573 5858 1 11 . 1 1 31 31 GLY N N 31 106.991 106.991 107.036 -0.045 25573 5859 1 11 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.402 -3.466 25573 5860 1 11 . 1 1 31 31 GLY H H 31 8.404 8.404 8.457 -0.053 25573 5861 1 11 . 1 1 32 32 GLU N N 32 120.491 120.491 121.038 -0.547 25573 5862 1 11 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.980 0.132 25573 5863 1 11 . 1 1 32 32 GLU CA C 32 58.171 58.171 58.485 -0.314 25573 5864 1 11 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.315 -2.009 25573 5865 1 11 . 1 1 32 32 GLU H H 32 9.168 9.168 8.695 0.473 25573 5866 1 11 . 1 1 33 33 GLY N N 33 109.241 109.241 109.699 -0.458 25573 5867 1 11 . 1 1 33 33 GLY CA C 33 43.591 43.591 47.047 -3.455 25573 5868 1 11 . 1 1 33 33 GLY H H 33 8.613 8.613 8.596 0.017 25573 5869 1 11 . 1 1 34 34 ASN N N 34 118.241 118.241 120.477 -2.236 25573 5870 1 11 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.710 -0.672 25573 5871 1 11 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.212 -0.750 25573 5872 1 11 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.208 -1.813 25573 5873 1 11 . 1 1 34 34 ASN H H 34 7.897 7.897 8.413 -0.516 25573 5874 1 11 . 1 1 35 35 PHE N N 35 117.116 117.116 120.927 -3.811 25573 5875 1 11 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.047 0.041 25573 5876 1 11 . 1 1 35 35 PHE CA C 35 59.312 59.312 61.226 -1.914 25573 5877 1 11 . 1 1 35 35 PHE CB C 35 35.828 35.828 38.501 -2.673 25573 5878 1 11 . 1 1 35 35 PHE H H 35 7.180 7.180 8.325 -1.145 25573 5879 1 11 . 1 1 36 36 ARG N N 36 117.825 117.825 118.526 -0.701 25573 5880 1 11 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.067 -0.495 25573 5881 1 11 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.592 -1.350 25573 5882 1 11 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.979 4.019 25573 5883 1 11 . 1 1 36 36 ARG H H 36 8.278 8.278 8.024 0.254 25573 5884 1 11 . 1 1 37 37 TRP N N 37 118.845 118.845 121.667 -2.822 25573 5885 1 11 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.291 -0.157 25573 5886 1 11 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.051 -2.151 25573 5887 1 11 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.315 -1.866 25573 5888 1 11 . 1 1 37 37 TRP H H 37 8.106 8.106 8.148 -0.042 25573 5889 1 11 . 1 1 38 38 ALA N N 38 119.609 119.609 123.129 -3.520 25573 5890 1 11 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.913 0.516 25573 5891 1 11 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.822 -1.928 25573 5892 1 11 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.308 -1.909 25573 5893 1 11 . 1 1 38 38 ALA H H 38 8.332 8.332 7.828 0.504 25573 5894 1 11 . 1 1 39 39 ILE N N 39 114.866 114.866 120.195 -5.329 25573 5895 1 11 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.647 0.717 25573 5896 1 11 . 1 1 39 39 ILE CA C 39 55.584 55.584 64.704 -9.120 25573 5897 1 11 . 1 1 39 39 ILE CB C 39 31.492 31.492 38.157 -6.665 25573 5898 1 11 . 1 1 39 39 ILE H H 39 8.161 8.161 7.835 0.326 25573 5899 1 11 . 1 1 40 40 ARG N N 40 120.240 120.240 119.482 0.758 25573 5900 1 11 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.827 0.239 25573 5901 1 11 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.803 -3.164 25573 5902 1 11 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.119 -0.310 25573 5903 1 11 . 1 1 40 40 ARG H H 40 8.446 8.446 8.377 0.069 25573 5904 1 11 . 1 1 41 41 MET HA H 41 4.305 4.305 3.863 0.442 25573 5905 1 11 . 1 1 41 41 MET CA C 41 53.585 53.585 58.352 -4.766 25573 5906 1 11 . 1 1 41 41 MET CB C 41 29.902 29.902 31.907 -2.005 25573 5907 1 11 . 1 1 42 42 ALA N N 42 122.782 122.782 121.074 1.708 25573 5908 1 11 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.974 0.574 25573 5909 1 11 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.803 -2.527 25573 5910 1 11 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.241 -1.381 25573 5911 1 11 . 1 1 42 42 ALA H H 42 8.556 8.556 8.132 0.424 25573 5912 1 11 . 1 1 43 43 ASN N N 43 119.366 119.366 116.849 2.517 25573 5913 1 11 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.436 0.258 25573 5914 1 11 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.217 -5.880 25573 5915 1 11 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.206 -2.515 25573 5916 1 11 . 1 1 43 43 ASN H H 43 8.613 8.613 8.005 0.608 25573 5917 1 11 . 1 1 44 44 VAL N N 44 118.466 118.466 119.688 -1.222 25573 5918 1 11 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.754 0.145 25573 5919 1 11 . 1 1 44 44 VAL CA C 44 63.094 63.094 66.365 -3.271 25573 5920 1 11 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.335 -2.414 25573 5921 1 11 . 1 1 44 44 VAL H H 44 8.464 8.464 7.788 0.676 25573 5922 1 11 . 1 1 45 45 SER N N 45 113.763 113.763 114.259 -0.496 25573 5923 1 11 . 1 1 45 45 SER HA H 45 4.328 4.328 4.128 0.200 25573 5924 1 11 . 1 1 45 45 SER CA C 45 58.553 58.553 60.957 -2.404 25573 5925 1 11 . 1 1 45 45 SER CB C 45 61.343 61.343 63.258 -1.915 25573 5926 1 11 . 1 1 45 45 SER H H 45 7.963 7.963 8.107 -0.144 25573 5927 1 11 . 1 1 46 46 THR N N 46 106.729 106.729 110.832 -4.103 25573 5928 1 11 . 1 1 46 46 THR HA H 46 4.602 4.602 4.547 0.055 25573 5929 1 11 . 1 1 46 46 THR CA C 46 58.026 58.026 60.378 -2.352 25573 5930 1 11 . 1 1 46 46 THR CB C 46 67.285 67.285 68.896 -1.611 25573 5931 1 11 . 1 1 46 46 THR H H 46 7.560 7.560 7.913 -0.353 25573 5932 1 11 . 1 1 47 47 GLY N N 47 109.384 109.384 110.448 -1.064 25573 5933 1 11 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.910 -2.101 25573 5934 1 11 . 1 1 47 47 GLY H H 47 7.539 7.539 7.940 -0.401 25573 5935 1 11 . 1 1 48 48 ARG N N 48 120.563 120.563 120.549 0.014 25573 5936 1 11 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.941 0.412 25573 5937 1 11 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.298 -4.959 25573 5938 1 11 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.196 0.564 25573 5939 1 11 . 1 1 48 48 ARG H H 48 8.220 8.220 7.813 0.407 25573 5940 1 11 . 1 1 49 49 GLU N N 49 122.874 122.874 117.114 5.760 25573 5941 1 11 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.522 -0.200 25573 5942 1 11 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.605 -0.471 25573 5943 1 11 . 1 1 49 49 GLU CB C 49 29.104 29.104 31.938 -2.834 25573 5944 1 11 . 1 1 49 49 GLU H H 49 8.661 8.661 7.973 0.688 25573 5945 1 11 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.601 2.293 25573 5946 1 11 . 1 1 51 51 GLY N N 51 102.859 102.859 108.456 -5.597 25573 5947 1 11 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.124 -3.047 25573 5948 1 11 . 1 1 51 51 GLY H H 51 8.368 8.368 8.342 0.026 25573 5949 1 11 . 1 1 52 52 ASP N N 52 120.491 120.491 123.755 -3.264 25573 5950 1 11 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.746 -0.366 25573 5951 1 11 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.229 -2.548 25573 5952 1 11 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.873 -5.072 25573 5953 1 11 . 1 1 52 52 ASP H H 52 7.204 7.204 8.000 -0.796 25573 5954 1 11 . 1 1 53 53 ILE N N 53 127.662 127.662 121.451 6.211 25573 5955 1 11 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.526 0.004 25573 5956 1 11 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.590 -4.463 25573 5957 1 11 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.253 -2.758 25573 5958 1 11 . 1 1 53 53 ILE H H 53 8.255 8.255 7.841 0.414 25573 5959 1 11 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.491 -0.005 25573 5960 1 11 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.718 -2.599 25573 5961 1 11 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.071 -3.276 25573 5962 1 11 . 1 1 55 55 GLU N N 55 117.116 117.116 125.520 -8.404 25573 5963 1 11 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.499 0.007 25573 5964 1 11 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.202 -1.919 25573 5965 1 11 . 1 1 55 55 GLU CB C 55 29.682 29.682 28.620 1.062 25573 5966 1 11 . 1 1 55 55 GLU H H 55 8.580 8.580 8.841 -0.261 25573 5967 1 11 . 1 1 56 56 THR N N 56 105.122 105.122 109.996 -4.874 25573 5968 1 11 . 1 1 56 56 THR HA H 56 4.832 4.832 4.590 0.242 25573 5969 1 11 . 1 1 56 56 THR CA C 56 55.381 55.381 60.814 -5.433 25573 5970 1 11 . 1 1 56 56 THR CB C 56 70.771 70.771 71.691 -0.920 25573 5971 1 11 . 1 1 56 56 THR H H 56 7.367 7.367 7.832 -0.465 25573 5972 1 11 . 1 1 57 57 LEU N N 57 122.564 122.564 124.239 -1.675 25573 5973 1 11 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.059 0.373 25573 5974 1 11 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.534 -2.125 25573 5975 1 11 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.040 -4.179 25573 5976 1 11 . 1 1 57 57 LEU H H 57 9.222 9.222 8.878 0.344 25573 5977 1 11 . 1 1 58 58 ASP N N 58 119.366 119.366 118.541 0.825 25573 5978 1 11 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.432 0.848 25573 5979 1 11 . 1 1 58 58 ASP CB C 58 37.357 37.357 39.950 -2.593 25573 5980 1 11 . 1 1 58 58 ASP H H 58 8.570 8.570 8.370 0.200 25573 5981 1 11 . 1 1 59 59 GLN N N 59 118.241 118.241 119.974 -1.733 25573 5982 1 11 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.158 -0.126 25573 5983 1 11 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.189 -2.272 25573 5984 1 11 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.548 -2.474 25573 5985 1 11 . 1 1 59 59 GLN H H 59 7.823 7.823 7.681 0.142 25573 5986 1 11 . 1 1 60 60 LEU N N 60 121.691 121.691 120.569 1.122 25573 5987 1 11 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.910 0.169 25573 5988 1 11 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.560 -3.289 25573 5989 1 11 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.846 5.790 25573 5990 1 11 . 1 1 60 60 LEU H H 60 8.187 8.187 8.167 0.020 25573 5991 1 11 . 1 1 61 61 ARG N N 61 117.960 117.960 119.252 -1.292 25573 5992 1 11 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.175 -0.109 25573 5993 1 11 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.230 -3.048 25573 5994 1 11 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.996 -1.080 25573 5995 1 11 . 1 1 61 61 ARG H H 61 9.133 9.133 7.849 1.284 25573 5996 1 11 . 1 1 62 62 LEU N N 62 118.408 118.408 119.741 -1.333 25573 5997 1 11 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.162 -0.136 25573 5998 1 11 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.352 -1.272 25573 5999 1 11 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.822 -3.458 25573 6000 1 11 . 1 1 62 62 LEU H H 62 7.817 7.817 7.770 0.047 25573 6001 1 11 . 1 1 63 63 VAL N N 63 119.177 119.177 120.587 -1.410 25573 6002 1 11 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.567 -0.030 25573 6003 1 11 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.825 -3.324 25573 6004 1 11 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.712 -2.828 25573 6005 1 11 . 1 1 63 63 VAL H H 63 7.368 7.368 7.826 -0.458 25573 6006 1 11 . 1 1 64 64 ILE N N 64 119.068 119.068 120.068 -1.000 25573 6007 1 11 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.618 -0.078 25573 6008 1 11 . 1 1 64 64 ILE CA C 64 64.481 64.481 64.860 -0.379 25573 6009 1 11 . 1 1 64 64 ILE CB C 64 34.712 34.712 38.055 -3.343 25573 6010 1 11 . 1 1 64 64 ILE H H 64 8.320 8.320 7.670 0.650 25573 6011 1 11 . 1 1 65 65 CYS N N 65 119.131 119.131 119.057 0.074 25573 6012 1 11 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.141 0.189 25573 6013 1 11 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.888 -1.980 25573 6014 1 11 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.344 -2.452 25573 6015 1 11 . 1 1 65 65 CYS H H 65 9.076 9.076 7.974 1.102 25573 6016 1 11 . 1 1 66 66 ASP N N 66 120.537 120.537 120.787 -0.250 25573 6017 1 11 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.370 -0.058 25573 6018 1 11 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.590 0.173 25573 6019 1 11 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.888 -2.703 25573 6020 1 11 . 1 1 66 66 ASP H H 66 8.512 8.512 7.979 0.533 25573 6021 1 11 . 1 1 67 67 LEU N N 67 119.364 119.364 120.703 -1.339 25573 6022 1 11 . 1 1 67 67 LEU HA H 67 3.970 3.970 4.007 -0.037 25573 6023 1 11 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.406 -1.420 25573 6024 1 11 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.994 -9.248 25573 6025 1 11 . 1 1 67 67 LEU H H 67 8.971 8.971 8.479 0.492 25573 6026 1 11 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.049 0.380 25573 6027 1 11 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.586 -3.821 25573 6028 1 11 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.435 0.366 25573 6029 1 11 . 1 1 70 70 ARG N N 70 122.186 122.186 119.376 2.810 25573 6030 1 11 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.020 0.466 25573 6031 1 11 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.493 -6.960 25573 6032 1 11 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.297 0.044 25573 6033 1 11 . 1 1 70 70 ARG H H 70 8.345 8.345 7.791 0.554 25573 6034 1 11 . 1 1 71 71 ARG N N 71 121.616 121.616 118.047 3.569 25573 6035 1 11 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.153 -1.529 25573 6036 1 11 . 1 1 71 71 ARG CA C 71 54.179 54.179 59.279 -5.100 25573 6037 1 11 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.816 0.191 25573 6038 1 11 . 1 1 71 71 ARG H H 71 8.480 8.480 8.704 -0.224 25573 6039 1 11 . 1 1 73 73 LYS HA H 73 4.072 4.072 3.971 0.101 25573 6040 1 11 . 1 1 73 73 LYS CA C 73 55.976 55.976 59.008 -3.032 25573 6041 1 11 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.253 -1.501 25573 6042 1 11 . 1 1 74 74 PHE N N 74 115.001 115.001 116.756 -1.755 25573 6043 1 11 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.339 0.483 25573 6044 1 11 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.499 -4.378 25573 6045 1 11 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.042 -2.455 25573 6046 1 11 . 1 1 74 74 PHE H H 74 8.530 8.530 7.772 0.758 25573 6047 1 11 . 1 1 75 75 GLY N N 75 110.366 110.366 105.550 4.816 25573 6048 1 11 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.538 -2.534 25573 6049 1 11 . 1 1 75 75 GLY H H 75 7.799 7.799 7.498 0.301 25573 6050 1 11 . 1 1 76 76 SER N N 76 113.283 113.283 114.185 -0.902 25573 6051 1 11 . 1 1 76 76 SER HA H 76 4.523 4.523 4.699 -0.176 25573 6052 1 11 . 1 1 76 76 SER CA C 76 54.361 54.361 57.743 -3.382 25573 6053 1 11 . 1 1 76 76 SER CB C 76 61.887 61.887 64.481 -2.594 25573 6054 1 11 . 1 1 76 76 SER H H 76 8.417 8.417 8.384 0.033 25573 6055 1 11 . 1 1 77 77 SER N N 77 114.950 114.950 120.803 -5.853 25573 6056 1 11 . 1 1 77 77 SER HA H 77 4.535 4.535 4.746 -0.211 25573 6057 1 11 . 1 1 77 77 SER CA C 77 53.833 53.833 56.736 -2.903 25573 6058 1 11 . 1 1 77 77 SER CB C 77 63.488 63.488 65.971 -2.483 25573 6059 1 11 . 1 1 77 77 SER H H 77 8.428 8.428 8.613 -0.185 25573 6060 1 11 . 1 1 78 78 LYS N N 78 122.032 122.032 125.870 -3.838 25573 6061 1 11 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.968 0.707 25573 6062 1 11 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.656 -5.529 25573 6063 1 11 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.444 -3.208 25573 6064 1 11 . 1 1 78 78 LYS H H 78 9.044 9.044 9.035 0.009 25573 6065 1 11 . 1 1 79 79 GLU N N 79 118.232 118.232 119.517 -1.285 25573 6066 1 11 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.163 0.129 25573 6067 1 11 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.801 -1.697 25573 6068 1 11 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.594 -2.748 25573 6069 1 11 . 1 1 79 79 GLU H H 79 8.795 8.795 7.772 1.023 25573 6070 1 11 . 1 1 80 80 ILE N N 80 120.491 120.491 120.416 0.075 25573 6071 1 11 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.834 -0.105 25573 6072 1 11 . 1 1 80 80 ILE CA C 80 62.466 62.466 63.622 -1.156 25573 6073 1 11 . 1 1 80 80 ILE CB C 80 36.109 36.109 36.960 -0.851 25573 6074 1 11 . 1 1 80 80 ILE H H 80 7.892 7.892 7.841 0.051 25573 6075 1 11 . 1 1 81 81 ASP N N 81 120.491 120.491 119.941 0.550 25573 6076 1 11 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.329 -0.023 25573 6077 1 11 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.579 -2.205 25573 6078 1 11 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.454 -3.078 25573 6079 1 11 . 1 1 81 81 ASP H H 81 8.424 8.424 8.525 -0.101 25573 6080 1 11 . 1 1 82 82 MET N N 82 118.588 118.588 118.876 -0.288 25573 6081 1 11 . 1 1 82 82 MET HA H 82 4.610 4.610 4.244 0.366 25573 6082 1 11 . 1 1 82 82 MET CA C 82 54.472 54.472 59.165 -4.693 25573 6083 1 11 . 1 1 82 82 MET CB C 82 29.557 29.557 32.783 -3.226 25573 6084 1 11 . 1 1 82 82 MET H H 82 8.215 8.215 7.832 0.383 25573 6085 1 11 . 1 1 83 83 ALA N N 83 127.525 127.525 122.648 4.877 25573 6086 1 11 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.141 -0.042 25573 6087 1 11 . 1 1 83 83 ALA CA C 83 53.908 53.908 54.974 -1.066 25573 6088 1 11 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.232 -3.421 25573 6089 1 11 . 1 1 83 83 ALA H H 83 10.165 10.165 7.952 2.213 25573 6090 1 11 . 1 1 84 84 ILE N N 84 115.968 115.968 118.710 -2.742 25573 6091 1 11 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.672 -0.138 25573 6092 1 11 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.424 -1.047 25573 6093 1 11 . 1 1 84 84 ILE CB C 84 35.417 35.417 38.018 -2.601 25573 6094 1 11 . 1 1 84 84 ILE H H 84 8.437 8.437 7.783 0.654 25573 6095 1 11 . 1 1 85 85 VAL N N 85 117.106 117.106 119.054 -1.948 25573 6096 1 11 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.583 0.462 25573 6097 1 11 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.758 -10.833 25573 6098 1 11 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.913 -1.728 25573 6099 1 11 . 1 1 85 85 VAL H H 85 7.835 7.835 7.941 -0.106 25573 6100 1 11 . 1 1 86 86 THR N N 86 116.673 116.673 114.899 1.774 25573 6101 1 11 . 1 1 86 86 THR HA H 86 4.181 4.181 3.494 0.687 25573 6102 1 11 . 1 1 86 86 THR CA C 86 59.627 59.627 65.254 -5.627 25573 6103 1 11 . 1 1 86 86 THR CB C 86 65.856 65.856 67.889 -2.033 25573 6104 1 11 . 1 1 86 86 THR H H 86 8.254 8.254 7.947 0.307 25573 6105 1 11 . 1 1 87 87 LEU N N 87 121.447 121.447 121.816 -0.369 25573 6106 1 11 . 1 1 87 87 LEU HA H 87 4.582 4.582 3.844 0.738 25573 6107 1 11 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.692 -0.836 25573 6108 1 11 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.379 -9.554 25573 6109 1 11 . 1 1 87 87 LEU H H 87 7.913 7.913 7.670 0.243 25573 6110 1 11 . 1 1 88 88 LYS N N 88 119.505 119.505 119.855 -0.350 25573 6111 1 11 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.504 0.637 25573 6112 1 11 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.694 -3.624 25573 6113 1 11 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.601 -2.714 25573 6114 1 11 . 1 1 88 88 LYS H H 88 7.970 7.970 7.663 0.307 25573 6115 1 11 . 1 1 89 89 VAL N N 89 119.366 119.366 117.562 1.804 25573 6116 1 11 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.595 0.225 25573 6117 1 11 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.308 -9.352 25573 6118 1 11 . 1 1 89 89 VAL H H 89 8.082 8.082 7.631 0.451 25573 6119 1 11 . 1 1 90 90 PHE N N 90 119.366 119.366 121.132 -1.766 25573 6120 1 11 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.510 -0.086 25573 6121 1 11 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.394 -3.243 25573 6122 1 11 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.977 -3.347 25573 6123 1 11 . 1 1 90 90 PHE H H 90 8.104 8.104 8.443 -0.339 25573 6124 1 11 . 1 1 91 91 ALA N N 91 118.916 118.916 121.592 -2.676 25573 6125 1 11 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.581 0.935 25573 6126 1 11 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.742 -0.330 25573 6127 1 11 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.044 -2.154 25573 6128 1 11 . 1 1 91 91 ALA H H 91 8.187 8.187 7.329 0.858 25573 6129 1 11 . 1 1 92 92 VAL N N 92 113.741 113.741 117.939 -4.198 25573 6130 1 11 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.672 -0.085 25573 6131 1 11 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.139 -2.560 25573 6132 1 11 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.330 -0.538 25573 6133 1 11 . 1 1 92 92 VAL H H 92 8.196 8.196 8.402 -0.206 25573 6134 1 11 . 1 1 93 93 ALA N N 93 119.366 119.366 120.793 -1.427 25573 6135 1 11 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.259 0.435 25573 6136 1 11 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.688 -4.407 25573 6137 1 11 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.386 -1.671 25573 6138 1 11 . 1 1 93 93 ALA H H 93 8.564 8.564 7.947 0.617 25573 6139 1 11 . 1 1 94 94 GLY N N 94 104.958 104.958 106.618 -1.660 25573 6140 1 11 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.643 -1.719 25573 6141 1 11 . 1 1 94 94 GLY H H 94 6.940 6.940 7.622 -0.682 25573 6142 1 11 . 1 1 95 95 LEU N N 95 120.679 120.679 121.127 -0.448 25573 6143 1 11 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.983 0.022 25573 6144 1 11 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.203 -2.799 25573 6145 1 11 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.811 -3.586 25573 6146 1 11 . 1 1 95 95 LEU H H 95 7.724 7.724 7.466 0.258 25573 6147 1 11 . 1 1 96 96 LEU N N 96 115.261 115.261 116.539 -1.278 25573 6148 1 11 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.389 -0.114 25573 6149 1 11 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.452 -2.182 25573 6150 1 11 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.182 -2.496 25573 6151 1 11 . 1 1 96 96 LEU H H 96 7.723 7.723 7.820 -0.097 25573 6152 1 11 . 1 1 97 97 ASN N N 97 112.672 112.672 115.535 -2.863 25573 6153 1 11 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.466 -0.225 25573 6154 1 11 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.228 -3.028 25573 6155 1 11 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.622 -3.177 25573 6156 1 11 . 1 1 97 97 ASN H H 97 6.694 6.694 7.334 -0.640 25573 6157 1 11 . 1 1 98 98 MET N N 98 115.968 115.968 117.646 -1.678 25573 6158 1 11 . 1 1 98 98 MET HA H 98 4.614 4.614 4.317 0.297 25573 6159 1 11 . 1 1 98 98 MET CA C 98 51.685 51.685 56.587 -4.902 25573 6160 1 11 . 1 1 98 98 MET CB C 98 29.808 29.808 33.345 -3.537 25573 6161 1 11 . 1 1 98 98 MET H H 98 8.168 8.168 7.732 0.436 25573 6162 1 11 . 1 1 99 99 THR N N 99 118.683 118.683 115.757 2.926 25573 6163 1 11 . 1 1 99 99 THR HA H 99 4.184 4.184 4.567 -0.383 25573 6164 1 11 . 1 1 99 99 THR CA C 99 59.813 59.813 61.453 -1.639 25573 6165 1 11 . 1 1 99 99 THR CB C 99 65.438 65.438 68.515 -3.077 25573 6166 1 11 . 1 1 99 99 THR H H 99 8.562 8.562 8.232 0.330 25573 6167 1 11 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.177 -0.058 25573 6168 1 11 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.071 -5.369 25573 6169 1 11 . 1 1 100 100 VAL H H 100 8.392 8.392 7.703 0.689 25573 6170 1 11 . 1 1 101 101 SER N N 101 121.736 121.736 116.592 5.144 25573 6171 1 11 . 1 1 101 101 SER HA H 101 4.645 4.645 4.815 -0.170 25573 6172 1 11 . 1 1 101 101 SER CA C 101 56.852 56.852 58.175 -1.323 25573 6173 1 11 . 1 1 101 101 SER CB C 101 61.739 61.739 63.848 -2.109 25573 6174 1 11 . 1 1 101 101 SER H H 101 8.079 8.079 8.630 -0.551 25573 6175 1 11 . 1 1 102 102 THR N N 102 110.147 110.147 110.278 -0.131 25573 6176 1 11 . 1 1 102 102 THR HA H 102 5.450 5.450 4.837 0.613 25573 6177 1 11 . 1 1 102 102 THR CA C 102 56.522 56.522 60.576 -4.054 25573 6178 1 11 . 1 1 102 102 THR CB C 102 71.007 71.007 71.445 -0.438 25573 6179 1 11 . 1 1 102 102 THR H H 102 7.276 7.276 7.429 -0.153 25573 6180 1 11 . 1 1 103 103 ALA N N 103 124.013 124.013 128.397 -4.384 25573 6181 1 11 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.058 -0.104 25573 6182 1 11 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.536 -3.258 25573 6183 1 11 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.771 -3.087 25573 6184 1 11 . 1 1 103 103 ALA H H 103 8.433 8.433 8.512 -0.079 25573 6185 1 11 . 1 1 104 104 ALA N N 104 119.649 119.649 120.003 -0.354 25573 6186 1 11 . 1 1 104 104 ALA HA H 104 4.286 4.286 3.981 0.305 25573 6187 1 11 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.566 -2.264 25573 6188 1 11 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.228 -1.708 25573 6189 1 11 . 1 1 104 104 ALA H H 104 8.474 8.474 8.367 0.107 25573 6190 1 11 . 1 1 105 105 ALA N N 105 120.587 120.587 121.115 -0.528 25573 6191 1 11 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.059 0.205 25573 6192 1 11 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.839 -2.641 25573 6193 1 11 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.319 -2.574 25573 6194 1 11 . 1 1 105 105 ALA H H 105 8.050 8.050 7.695 0.355 25573 6195 1 11 . 1 1 106 106 ALA N N 106 121.752 121.752 121.691 0.061 25573 6196 1 11 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.948 -0.681 25573 6197 1 11 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.369 -3.858 25573 6198 1 11 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.540 -2.492 25573 6199 1 11 . 1 1 106 106 ALA H H 106 8.071 8.071 7.881 0.190 25573 6200 1 11 . 1 1 107 107 GLU N N 107 119.133 119.133 118.284 0.849 25573 6201 1 11 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.977 -0.118 25573 6202 1 11 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.465 -2.130 25573 6203 1 11 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.107 -1.998 25573 6204 1 11 . 1 1 107 107 GLU H H 107 8.711 8.711 8.151 0.560 25573 6205 1 11 . 1 1 108 108 ASN N N 108 118.306 118.306 119.039 -0.733 25573 6206 1 11 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.550 0.051 25573 6207 1 11 . 1 1 108 108 ASN CA C 108 53.971 53.971 55.739 -1.768 25573 6208 1 11 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.321 -2.869 25573 6209 1 11 . 1 1 108 108 ASN H H 108 8.045 8.045 7.936 0.109 25573 6210 1 11 . 1 1 109 109 MET N N 109 120.038 120.038 121.348 -1.310 25573 6211 1 11 . 1 1 109 109 MET HA H 109 4.305 4.305 4.306 -0.001 25573 6212 1 11 . 1 1 109 109 MET CA C 109 55.602 55.602 57.476 -1.874 25573 6213 1 11 . 1 1 109 109 MET CB C 109 29.771 29.771 32.079 -2.308 25573 6214 1 11 . 1 1 109 109 MET H H 109 8.401 8.401 8.038 0.363 25573 6215 1 11 . 1 1 110 110 TYR N N 110 121.616 121.616 120.160 1.456 25573 6216 1 11 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.073 -0.410 25573 6217 1 11 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.543 -2.618 25573 6218 1 11 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.109 -2.183 25573 6219 1 11 . 1 1 110 110 TYR H H 110 8.651 8.651 9.149 -0.498 25573 6220 1 11 . 1 1 111 111 SER N N 111 110.621 110.621 113.357 -2.736 25573 6221 1 11 . 1 1 111 111 SER HA H 111 4.540 4.540 4.018 0.522 25573 6222 1 11 . 1 1 111 111 SER CA C 111 58.395 58.395 60.325 -1.930 25573 6223 1 11 . 1 1 111 111 SER CB C 111 60.600 60.600 63.332 -2.732 25573 6224 1 11 . 1 1 111 111 SER H H 111 7.394 7.394 7.942 -0.548 25573 6225 1 11 . 1 1 112 112 GLN N N 112 125.643 125.643 121.991 3.652 25573 6226 1 11 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.051 0.008 25573 6227 1 11 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.277 -2.194 25573 6228 1 11 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.908 -3.263 25573 6229 1 11 . 1 1 112 112 GLN H H 112 8.774 8.774 8.045 0.729 25573 6230 1 11 . 1 1 113 113 MET N N 113 114.866 114.866 116.789 -1.923 25573 6231 1 11 . 1 1 113 113 MET HA H 113 4.275 4.275 4.347 -0.072 25573 6232 1 11 . 1 1 113 113 MET CA C 113 53.246 53.246 56.527 -3.281 25573 6233 1 11 . 1 1 113 113 MET CB C 113 31.365 31.365 33.666 -2.301 25573 6234 1 11 . 1 1 113 113 MET H H 113 8.070 8.070 8.132 -0.062 25573 6235 1 11 . 1 1 114 114 GLY N N 114 107.252 107.252 105.001 2.251 25573 6236 1 11 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.183 -2.223 25573 6237 1 11 . 1 1 114 114 GLY H H 114 8.012 8.012 7.572 0.440 25573 6238 1 11 . 1 1 115 115 LEU N N 115 114.939 114.939 116.946 -2.007 25573 6239 1 11 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.252 -0.377 25573 6240 1 11 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.891 -1.681 25573 6241 1 11 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.759 -6.301 25573 6242 1 11 . 1 1 115 115 LEU H H 115 7.447 7.447 7.703 -0.256 25573 6243 1 11 . 1 1 116 116 ASP N N 116 116.423 116.423 118.455 -2.032 25573 6244 1 11 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.618 0.052 25573 6245 1 11 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.259 -1.956 25573 6246 1 11 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.331 -6.013 25573 6247 1 11 . 1 1 116 116 ASP H H 116 8.518 8.518 7.402 1.116 25573 6248 1 11 . 1 1 117 117 THR N N 117 113.582 113.582 114.040 -0.458 25573 6249 1 11 . 1 1 117 117 THR HA H 117 4.194 4.194 4.518 -0.324 25573 6250 1 11 . 1 1 117 117 THR CA C 117 58.925 58.925 62.168 -3.243 25573 6251 1 11 . 1 1 117 117 THR CB C 117 67.320 67.320 69.403 -2.083 25573 6252 1 11 . 1 1 117 117 THR H H 117 7.240 7.240 8.566 -1.326 25573 6253 1 11 . 1 1 118 118 ARG N N 118 126.068 126.068 122.332 3.736 25573 6254 1 11 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.727 -0.161 25573 6255 1 11 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.344 -2.001 25573 6256 1 11 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.542 2.166 25573 6257 1 11 . 1 1 118 118 ARG H H 118 8.711 8.711 7.989 0.722 25573 6258 1 11 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.577 -2.499 25573 6259 1 11 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.999 -2.956 25573 6260 1 11 . 1 1 120 120 SER N N 120 116.251 116.251 119.735 -3.484 25573 6261 1 11 . 1 1 120 120 SER HA H 120 4.385 4.385 4.684 -0.299 25573 6262 1 11 . 1 1 120 120 SER CA C 120 55.352 55.352 57.836 -2.484 25573 6263 1 11 . 1 1 120 120 SER CB C 120 61.037 61.037 64.974 -3.937 25573 6264 1 11 . 1 1 120 120 SER H H 120 8.385 8.385 8.215 0.170 25573 6265 1 11 . 1 1 121 121 MET N N 121 123.171 123.171 121.756 1.415 25573 6266 1 11 . 1 1 121 121 MET HA H 121 4.289 4.289 4.712 -0.423 25573 6267 1 11 . 1 1 121 121 MET CA C 121 53.282 53.282 55.405 -2.123 25573 6268 1 11 . 1 1 121 121 MET CB C 121 30.755 30.755 34.599 -3.844 25573 6269 1 11 . 1 1 121 121 MET H H 121 8.297 8.297 8.442 -0.145 25573 6270 1 11 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.670 -0.412 25573 6271 1 11 . 1 1 122 122 LYS CA C 122 53.669 53.669 55.804 -2.135 25573 6272 1 11 . 1 1 123 123 GLU N N 123 122.135 122.135 121.542 0.593 25573 6273 1 11 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.084 -8.181 25573 6274 1 11 . 1 1 123 123 GLU CB C 123 30.404 30.404 31.393 -0.989 25573 6275 1 11 . 1 1 123 123 GLU H H 123 8.505 8.505 9.167 -0.662 25573 6276 1 11 . 1 1 124 124 ALA N N 124 125.340 125.340 126.536 -1.196 25573 6277 1 11 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.750 -0.419 25573 6278 1 11 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.031 -2.198 25573 6279 1 11 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.056 -3.391 25573 6280 1 11 . 1 1 124 124 ALA H H 124 8.422 8.422 8.446 -0.024 25573 6281 1 11 . 1 1 125 125 GLY N N 125 108.426 108.426 108.146 0.280 25573 6282 1 11 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.797 -3.056 25573 6283 1 11 . 1 1 125 125 GLY H H 125 8.401 8.401 8.267 0.134 25573 6284 1 11 . 1 1 126 126 GLY N N 126 109.792 109.792 108.686 1.106 25573 6285 1 11 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.456 -2.209 25573 6286 1 11 . 1 1 126 126 GLY H H 126 8.515 8.515 8.293 0.222 25573 6287 1 11 . 1 1 127 127 LYS N N 127 120.366 120.366 122.688 -2.322 25573 6288 1 11 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.331 -0.010 25573 6289 1 11 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.205 -2.661 25573 6290 1 11 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.525 -2.173 25573 6291 1 11 . 1 1 127 127 LYS H H 127 8.244 8.244 8.551 -0.307 25573 6292 1 11 . 1 1 128 128 GLU N N 128 122.270 122.270 120.691 1.579 25573 6293 1 11 . 1 1 128 128 GLU CA C 128 56.044 56.044 55.978 0.066 25573 6294 1 11 . 1 1 128 128 GLU H H 128 8.559 8.559 8.066 0.493 25573 6295 1 11 . 1 1 129 129 GLU N N 129 122.282 122.282 122.001 0.281 25573 6296 1 11 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.422 0.114 25573 6297 1 11 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.632 -1.443 25573 6298 1 11 . 1 1 129 129 GLU H H 129 8.027 8.027 8.432 -0.405 25573 6299 1 11 . 1 1 130 130 GLY N N 130 110.258 110.258 111.799 -1.541 25573 6300 1 11 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.567 -2.906 25573 6301 1 11 . 1 1 130 130 GLY H H 130 10.190 10.190 8.489 1.701 25573 6302 1 11 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.482 -0.103 25573 6303 1 11 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.380 -2.911 25573 6304 1 11 . 1 1 132 132 PRO CB C 132 29.231 29.231 30.757 -1.526 25573 6305 1 11 . 1 1 133 133 GLN N N 133 119.932 119.932 122.922 -2.990 25573 6306 1 11 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.422 -0.103 25573 6307 1 11 . 1 1 133 133 GLN CA C 133 53.249 53.249 56.332 -3.083 25573 6308 1 11 . 1 1 133 133 GLN CB C 133 29.655 29.655 30.425 -0.770 25573 6309 1 11 . 1 1 133 133 GLN H H 133 8.478 8.478 8.043 0.435 25573 6310 1 11 . 1 1 134 134 ALA N N 134 124.828 124.828 126.734 -1.906 25573 6311 1 11 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.657 -0.407 25573 6312 1 11 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.047 -2.355 25573 6313 1 11 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.924 -3.900 25573 6314 1 11 . 1 1 134 134 ALA H H 134 8.263 8.263 8.506 -0.243 25573 6315 1 12 . 1 1 3 3 ASN N N 3 119.366 119.366 120.906 -1.540 25573 6316 1 12 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.743 -0.160 25573 6317 1 12 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.589 -2.198 25573 6318 1 12 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.901 -3.189 25573 6319 1 12 . 1 1 3 3 ASN H H 3 8.596 8.596 8.572 0.024 25573 6320 1 12 . 1 1 4 4 GLY N N 4 112.829 112.829 106.116 6.713 25573 6321 1 12 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.264 -2.562 25573 6322 1 12 . 1 1 4 4 GLY H H 4 8.073 8.073 8.200 -0.127 25573 6323 1 12 . 1 1 5 5 ALA N N 5 123.630 123.630 122.211 1.419 25573 6324 1 12 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.618 -0.215 25573 6325 1 12 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.595 -2.955 25573 6326 1 12 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.511 -3.096 25573 6327 1 12 . 1 1 5 5 ALA H H 5 8.008 8.008 8.409 -0.401 25573 6328 1 12 . 1 1 6 6 SER N N 6 114.866 114.866 116.166 -1.300 25573 6329 1 12 . 1 1 6 6 SER HA H 6 4.270 4.270 4.352 -0.082 25573 6330 1 12 . 1 1 6 6 SER CA C 6 56.023 56.023 60.835 -4.812 25573 6331 1 12 . 1 1 6 6 SER CB C 6 60.936 60.936 62.797 -1.861 25573 6332 1 12 . 1 1 6 6 SER H H 6 8.293 8.293 8.408 -0.115 25573 6333 1 12 . 1 1 7 7 ARG N N 7 119.250 119.250 121.542 -2.292 25573 6334 1 12 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.337 0.169 25573 6335 1 12 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.029 0.393 25573 6336 1 12 . 1 1 7 7 ARG H H 7 8.305 8.305 8.573 -0.268 25573 6337 1 12 . 1 1 8 8 ASP N N 8 119.662 119.662 118.571 1.091 25573 6338 1 12 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.439 -0.286 25573 6339 1 12 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.032 -1.478 25573 6340 1 12 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.418 -13.917 25573 6341 1 12 . 1 1 8 8 ASP H H 8 7.915 7.915 8.579 -0.664 25573 6342 1 12 . 1 1 9 9 TRP N N 9 121.861 121.861 121.337 0.524 25573 6343 1 12 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.432 -0.316 25573 6344 1 12 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.400 -4.438 25573 6345 1 12 . 1 1 9 9 TRP CB C 9 28.022 28.022 30.046 -2.024 25573 6346 1 12 . 1 1 9 9 TRP H H 9 8.222 8.222 7.533 0.689 25573 6347 1 12 . 1 1 10 10 LYS N N 10 118.681 118.681 119.655 -0.974 25573 6348 1 12 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.889 0.393 25573 6349 1 12 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.711 -0.812 25573 6350 1 12 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.430 -4.391 25573 6351 1 12 . 1 1 10 10 LYS H H 10 8.003 8.003 8.467 -0.464 25573 6352 1 12 . 1 1 11 11 MET N N 11 119.366 119.366 118.744 0.622 25573 6353 1 12 . 1 1 11 11 MET HA H 11 4.559 4.559 4.169 0.390 25573 6354 1 12 . 1 1 11 11 MET CA C 11 53.485 53.485 58.031 -4.546 25573 6355 1 12 . 1 1 11 11 MET H H 11 8.041 8.041 8.133 -0.092 25573 6356 1 12 . 1 1 12 12 ALA N N 12 122.650 122.650 122.265 0.385 25573 6357 1 12 . 1 1 12 12 ALA HA H 12 4.209 4.209 3.995 0.214 25573 6358 1 12 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.827 4.972 25573 6359 1 12 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.109 -0.337 25573 6360 1 12 . 1 1 12 12 ALA H H 12 7.904 7.904 7.787 0.117 25573 6361 1 12 . 1 1 13 13 ILE N N 13 117.322 117.322 118.272 -0.950 25573 6362 1 12 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.114 1.464 25573 6363 1 12 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.687 -7.784 25573 6364 1 12 . 1 1 13 13 ILE H H 13 8.380 8.380 7.773 0.607 25573 6365 1 12 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.377 1.539 25573 6366 1 12 . 1 1 16 16 CYS N N 16 116.263 116.263 120.329 -4.066 25573 6367 1 12 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.158 -0.113 25573 6368 1 12 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.987 -2.203 25573 6369 1 12 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.832 1.978 25573 6370 1 12 . 1 1 16 16 CYS H H 16 7.799 7.799 8.032 -0.233 25573 6371 1 12 . 1 1 17 17 SER N N 17 114.606 114.606 116.905 -2.299 25573 6372 1 12 . 1 1 17 17 SER HA H 17 4.952 4.952 4.520 0.432 25573 6373 1 12 . 1 1 17 17 SER CA C 17 58.171 58.171 61.263 -3.092 25573 6374 1 12 . 1 1 17 17 SER CB C 17 60.740 60.740 63.130 -2.390 25573 6375 1 12 . 1 1 17 17 SER H H 17 7.830 7.830 8.575 -0.745 25573 6376 1 12 . 1 1 18 18 ASN N N 18 116.143 116.143 117.473 -1.330 25573 6377 1 12 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.708 0.300 25573 6378 1 12 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.871 -3.396 25573 6379 1 12 . 1 1 18 18 ASN CB C 18 37.289 37.289 39.201 -1.912 25573 6380 1 12 . 1 1 18 18 ASN H H 18 7.557 7.557 7.688 -0.131 25573 6381 1 12 . 1 1 19 19 VAL N N 19 121.616 121.616 120.529 1.087 25573 6382 1 12 . 1 1 19 19 VAL HA H 19 3.499 3.499 3.902 -0.403 25573 6383 1 12 . 1 1 19 19 VAL CA C 19 59.730 59.730 64.233 -4.503 25573 6384 1 12 . 1 1 19 19 VAL CB C 19 29.042 29.042 32.250 -3.208 25573 6385 1 12 . 1 1 19 19 VAL H H 19 7.919 7.919 7.730 0.189 25573 6386 1 12 . 1 1 20 20 ALA N N 20 129.139 129.139 128.697 0.442 25573 6387 1 12 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.653 0.142 25573 6388 1 12 . 1 1 20 20 ALA C C 20 169.500 169.500 177.544 -8.044 25573 6389 1 12 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.188 -0.772 25573 6390 1 12 . 1 1 20 20 ALA CB C 20 17.716 17.716 22.018 -4.302 25573 6391 1 12 . 1 1 20 20 ALA H H 20 8.150 8.150 8.088 0.062 25573 6392 1 12 . 1 1 21 21 VAL N N 21 120.390 120.390 120.586 -0.196 25573 6393 1 12 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.751 0.016 25573 6394 1 12 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.398 -0.820 25573 6395 1 12 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.607 -1.861 25573 6396 1 12 . 1 1 21 21 VAL H H 21 8.319 8.319 7.927 0.392 25573 6397 1 12 . 1 1 22 22 GLY N N 22 108.884 108.884 104.233 4.651 25573 6398 1 12 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.664 -1.696 25573 6399 1 12 . 1 1 22 22 GLY H H 22 8.221 8.221 7.604 0.617 25573 6400 1 12 . 1 1 23 23 VAL N N 23 117.439 117.439 116.374 1.065 25573 6401 1 12 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.075 0.163 25573 6402 1 12 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.950 -4.862 25573 6403 1 12 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.217 -1.783 25573 6404 1 12 . 1 1 23 23 VAL H H 23 8.003 8.003 8.427 -0.424 25573 6405 1 12 . 1 1 24 24 GLY N N 24 112.616 112.616 105.286 7.330 25573 6406 1 12 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.460 -1.681 25573 6407 1 12 . 1 1 24 24 GLY H H 24 8.716 8.716 7.478 1.238 25573 6408 1 12 . 1 1 25 25 GLY N N 25 108.753 108.753 109.042 -0.289 25573 6409 1 12 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.409 -3.409 25573 6410 1 12 . 1 1 25 25 GLY H H 25 8.286 8.286 8.325 -0.039 25573 6411 1 12 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.418 -0.042 25573 6412 1 12 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.819 -2.307 25573 6413 1 12 . 1 1 27 27 SER HA H 27 4.922 4.922 4.502 0.420 25573 6414 1 12 . 1 1 27 27 SER CA C 27 56.876 56.876 58.373 -1.497 25573 6415 1 12 . 1 1 27 27 SER CB C 27 64.578 64.578 63.202 1.376 25573 6416 1 12 . 1 1 27 27 SER H H 27 7.831 7.831 8.537 -0.706 25573 6417 1 12 . 1 1 28 28 LYS N N 28 122.919 122.919 126.714 -3.795 25573 6418 1 12 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.406 -0.222 25573 6419 1 12 . 1 1 28 28 LYS CA C 28 56.539 56.539 56.562 -0.023 25573 6420 1 12 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.983 -1.617 25573 6421 1 12 . 1 1 28 28 LYS H H 28 8.589 8.589 8.465 0.124 25573 6422 1 12 . 1 1 29 29 LYS N N 29 120.917 120.917 121.144 -0.227 25573 6423 1 12 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.787 -0.404 25573 6424 1 12 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.132 -1.597 25573 6425 1 12 . 1 1 29 29 LYS CB C 29 32.076 32.076 33.953 -1.877 25573 6426 1 12 . 1 1 29 29 LYS H H 29 8.471 8.471 7.947 0.524 25573 6427 1 12 . 1 1 30 30 PHE N N 30 119.366 119.366 119.250 0.116 25573 6428 1 12 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.478 -0.620 25573 6429 1 12 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.614 0.558 25573 6430 1 12 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.238 -1.996 25573 6431 1 12 . 1 1 30 30 PHE H H 30 8.000 8.000 8.132 -0.132 25573 6432 1 12 . 1 1 31 31 GLY N N 31 106.991 106.991 103.609 3.382 25573 6433 1 12 . 1 1 31 31 GLY CA C 31 40.936 40.936 43.859 -2.923 25573 6434 1 12 . 1 1 31 31 GLY H H 31 8.404 8.404 7.213 1.191 25573 6435 1 12 . 1 1 32 32 GLU N N 32 120.491 120.491 120.833 -0.342 25573 6436 1 12 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.081 0.031 25573 6437 1 12 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.377 -1.206 25573 6438 1 12 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.169 -1.863 25573 6439 1 12 . 1 1 32 32 GLU H H 32 9.168 9.168 8.739 0.429 25573 6440 1 12 . 1 1 33 33 GLY N N 33 109.241 109.241 107.524 1.717 25573 6441 1 12 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.855 -3.264 25573 6442 1 12 . 1 1 33 33 GLY H H 33 8.613 8.613 8.586 0.027 25573 6443 1 12 . 1 1 34 34 ASN N N 34 118.241 118.241 121.363 -3.122 25573 6444 1 12 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.400 -0.362 25573 6445 1 12 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.054 -1.591 25573 6446 1 12 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.214 -1.820 25573 6447 1 12 . 1 1 34 34 ASN H H 34 7.897 7.897 7.255 0.642 25573 6448 1 12 . 1 1 35 35 PHE N N 35 117.116 117.116 119.201 -2.085 25573 6449 1 12 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.106 -0.018 25573 6450 1 12 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.453 -1.141 25573 6451 1 12 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.669 -1.841 25573 6452 1 12 . 1 1 35 35 PHE H H 35 7.180 7.180 7.575 -0.395 25573 6453 1 12 . 1 1 36 36 ARG N N 36 117.825 117.825 118.884 -1.059 25573 6454 1 12 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.054 -0.482 25573 6455 1 12 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.409 -1.167 25573 6456 1 12 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.495 4.502 25573 6457 1 12 . 1 1 36 36 ARG H H 36 8.278 8.278 8.494 -0.216 25573 6458 1 12 . 1 1 37 37 TRP N N 37 118.845 118.845 122.535 -3.690 25573 6459 1 12 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.271 -0.137 25573 6460 1 12 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.086 -2.186 25573 6461 1 12 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.486 -2.037 25573 6462 1 12 . 1 1 37 37 TRP H H 37 8.106 8.106 7.884 0.222 25573 6463 1 12 . 1 1 38 38 ALA N N 38 119.609 119.609 122.825 -3.216 25573 6464 1 12 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.671 0.758 25573 6465 1 12 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.967 -2.073 25573 6466 1 12 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.651 -2.252 25573 6467 1 12 . 1 1 38 38 ALA H H 38 8.332 8.332 8.007 0.325 25573 6468 1 12 . 1 1 39 39 ILE N N 39 114.866 114.866 119.854 -4.988 25573 6469 1 12 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.576 0.788 25573 6470 1 12 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.249 -10.665 25573 6471 1 12 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.712 -6.220 25573 6472 1 12 . 1 1 39 39 ILE H H 39 8.161 8.161 8.589 -0.428 25573 6473 1 12 . 1 1 40 40 ARG N N 40 120.240 120.240 118.999 1.241 25573 6474 1 12 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.783 0.283 25573 6475 1 12 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.829 -3.190 25573 6476 1 12 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.054 -0.245 25573 6477 1 12 . 1 1 40 40 ARG H H 40 8.446 8.446 8.023 0.423 25573 6478 1 12 . 1 1 41 41 MET HA H 41 4.305 4.305 3.843 0.462 25573 6479 1 12 . 1 1 41 41 MET CA C 41 53.585 53.585 58.614 -5.029 25573 6480 1 12 . 1 1 41 41 MET CB C 41 29.902 29.902 32.084 -2.182 25573 6481 1 12 . 1 1 42 42 ALA N N 42 122.782 122.782 120.697 2.085 25573 6482 1 12 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.864 0.684 25573 6483 1 12 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.123 -2.846 25573 6484 1 12 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.222 -1.362 25573 6485 1 12 . 1 1 42 42 ALA H H 42 8.556 8.556 8.308 0.248 25573 6486 1 12 . 1 1 43 43 ASN N N 43 119.366 119.366 117.144 2.222 25573 6487 1 12 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.432 0.262 25573 6488 1 12 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.089 -5.752 25573 6489 1 12 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.279 -2.588 25573 6490 1 12 . 1 1 43 43 ASN H H 43 8.613 8.613 8.250 0.363 25573 6491 1 12 . 1 1 44 44 VAL N N 44 118.466 118.466 120.216 -1.750 25573 6492 1 12 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.733 0.166 25573 6493 1 12 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.804 -2.710 25573 6494 1 12 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.521 -2.600 25573 6495 1 12 . 1 1 44 44 VAL H H 44 8.464 8.464 7.729 0.735 25573 6496 1 12 . 1 1 45 45 SER N N 45 113.763 113.763 114.534 -0.771 25573 6497 1 12 . 1 1 45 45 SER HA H 45 4.328 4.328 4.061 0.267 25573 6498 1 12 . 1 1 45 45 SER CA C 45 58.553 58.553 61.419 -2.866 25573 6499 1 12 . 1 1 45 45 SER CB C 45 61.343 61.343 63.295 -1.952 25573 6500 1 12 . 1 1 45 45 SER H H 45 7.963 7.963 7.904 0.059 25573 6501 1 12 . 1 1 46 46 THR N N 46 106.729 106.729 108.856 -2.127 25573 6502 1 12 . 1 1 46 46 THR HA H 46 4.602 4.602 4.553 0.049 25573 6503 1 12 . 1 1 46 46 THR CA C 46 58.026 58.026 60.558 -2.532 25573 6504 1 12 . 1 1 46 46 THR CB C 46 67.285 67.285 69.445 -2.160 25573 6505 1 12 . 1 1 46 46 THR H H 46 7.560 7.560 7.874 -0.314 25573 6506 1 12 . 1 1 47 47 GLY N N 47 109.384 109.384 110.736 -1.352 25573 6507 1 12 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.902 -2.093 25573 6508 1 12 . 1 1 47 47 GLY H H 47 7.539 7.539 8.078 -0.539 25573 6509 1 12 . 1 1 48 48 ARG N N 48 120.563 120.563 120.364 0.199 25573 6510 1 12 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.892 0.461 25573 6511 1 12 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.202 -4.863 25573 6512 1 12 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.334 0.426 25573 6513 1 12 . 1 1 48 48 ARG H H 48 8.220 8.220 7.769 0.451 25573 6514 1 12 . 1 1 49 49 GLU N N 49 122.874 122.874 116.226 6.648 25573 6515 1 12 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.519 -0.197 25573 6516 1 12 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.294 -0.160 25573 6517 1 12 . 1 1 49 49 GLU CB C 49 29.104 29.104 32.326 -3.222 25573 6518 1 12 . 1 1 49 49 GLU H H 49 8.661 8.661 7.872 0.789 25573 6519 1 12 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.672 2.221 25573 6520 1 12 . 1 1 51 51 GLY N N 51 102.859 102.859 108.693 -5.834 25573 6521 1 12 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.173 -3.096 25573 6522 1 12 . 1 1 51 51 GLY H H 51 8.368 8.368 8.349 0.019 25573 6523 1 12 . 1 1 52 52 ASP N N 52 120.491 120.491 123.214 -2.723 25573 6524 1 12 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.741 -0.361 25573 6525 1 12 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.162 -2.481 25573 6526 1 12 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.693 -4.891 25573 6527 1 12 . 1 1 52 52 ASP H H 52 7.204 7.204 7.975 -0.771 25573 6528 1 12 . 1 1 53 53 ILE N N 53 127.662 127.662 121.480 6.182 25573 6529 1 12 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.486 0.044 25573 6530 1 12 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.805 -4.678 25573 6531 1 12 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.183 -2.688 25573 6532 1 12 . 1 1 53 53 ILE H H 53 8.255 8.255 7.809 0.446 25573 6533 1 12 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.516 -0.030 25573 6534 1 12 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.682 -2.563 25573 6535 1 12 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.059 -3.264 25573 6536 1 12 . 1 1 55 55 GLU N N 55 117.116 117.116 123.280 -6.164 25573 6537 1 12 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.321 0.185 25573 6538 1 12 . 1 1 55 55 GLU CA C 55 54.283 54.283 55.886 -1.603 25573 6539 1 12 . 1 1 55 55 GLU CB C 55 29.682 29.682 27.760 1.922 25573 6540 1 12 . 1 1 55 55 GLU H H 55 8.580 8.580 8.733 -0.153 25573 6541 1 12 . 1 1 56 56 THR N N 56 105.122 105.122 110.886 -5.764 25573 6542 1 12 . 1 1 56 56 THR HA H 56 4.832 4.832 4.645 0.187 25573 6543 1 12 . 1 1 56 56 THR CA C 56 55.381 55.381 60.257 -4.876 25573 6544 1 12 . 1 1 56 56 THR CB C 56 70.771 70.771 71.939 -1.168 25573 6545 1 12 . 1 1 56 56 THR H H 56 7.367 7.367 7.611 -0.244 25573 6546 1 12 . 1 1 57 57 LEU N N 57 122.564 122.564 126.246 -3.682 25573 6547 1 12 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.957 0.475 25573 6548 1 12 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.655 -2.246 25573 6549 1 12 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.923 -4.062 25573 6550 1 12 . 1 1 57 57 LEU H H 57 9.222 9.222 8.941 0.281 25573 6551 1 12 . 1 1 58 58 ASP N N 58 119.366 119.366 119.017 0.349 25573 6552 1 12 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.402 0.878 25573 6553 1 12 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.521 -3.164 25573 6554 1 12 . 1 1 58 58 ASP H H 58 8.570 8.570 8.479 0.091 25573 6555 1 12 . 1 1 59 59 GLN N N 59 118.241 118.241 119.215 -0.974 25573 6556 1 12 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.063 -0.031 25573 6557 1 12 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.776 -2.859 25573 6558 1 12 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.888 -2.814 25573 6559 1 12 . 1 1 59 59 GLN H H 59 7.823 7.823 7.705 0.118 25573 6560 1 12 . 1 1 60 60 LEU N N 60 121.691 121.691 121.840 -0.149 25573 6561 1 12 . 1 1 60 60 LEU HA H 60 4.079 4.079 4.022 0.057 25573 6562 1 12 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.389 -3.118 25573 6563 1 12 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.973 5.664 25573 6564 1 12 . 1 1 60 60 LEU H H 60 8.187 8.187 8.244 -0.057 25573 6565 1 12 . 1 1 61 61 ARG N N 61 117.960 117.960 118.999 -1.039 25573 6566 1 12 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.128 -0.062 25573 6567 1 12 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.338 -3.156 25573 6568 1 12 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.117 -1.201 25573 6569 1 12 . 1 1 61 61 ARG H H 61 9.133 9.133 8.254 0.879 25573 6570 1 12 . 1 1 62 62 LEU N N 62 118.408 118.408 120.509 -2.101 25573 6571 1 12 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.269 -0.243 25573 6572 1 12 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.613 -1.533 25573 6573 1 12 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.770 -3.406 25573 6574 1 12 . 1 1 62 62 LEU H H 62 7.817 7.817 7.798 0.019 25573 6575 1 12 . 1 1 63 63 VAL N N 63 119.177 119.177 119.075 0.102 25573 6576 1 12 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.675 -0.138 25573 6577 1 12 . 1 1 63 63 VAL CA C 63 64.501 64.501 66.428 -1.927 25573 6578 1 12 . 1 1 63 63 VAL CB C 63 28.884 28.884 30.923 -2.039 25573 6579 1 12 . 1 1 63 63 VAL H H 63 7.368 7.368 7.705 -0.337 25573 6580 1 12 . 1 1 64 64 ILE N N 64 119.068 119.068 120.828 -1.760 25573 6581 1 12 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.699 -0.159 25573 6582 1 12 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.920 -1.439 25573 6583 1 12 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.815 -3.103 25573 6584 1 12 . 1 1 64 64 ILE H H 64 8.320 8.320 7.922 0.398 25573 6585 1 12 . 1 1 65 65 CYS N N 65 119.131 119.131 117.075 2.056 25573 6586 1 12 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.045 0.285 25573 6587 1 12 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.325 -1.417 25573 6588 1 12 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.583 -3.691 25573 6589 1 12 . 1 1 65 65 CYS H H 65 9.076 9.076 7.934 1.142 25573 6590 1 12 . 1 1 66 66 ASP N N 66 120.537 120.537 122.516 -1.979 25573 6591 1 12 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.483 -0.171 25573 6592 1 12 . 1 1 66 66 ASP CA C 66 57.764 57.764 56.913 0.852 25573 6593 1 12 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.858 -2.673 25573 6594 1 12 . 1 1 66 66 ASP H H 66 8.512 8.512 8.368 0.144 25573 6595 1 12 . 1 1 67 67 LEU N N 67 119.364 119.364 120.676 -1.312 25573 6596 1 12 . 1 1 67 67 LEU HA H 67 3.970 3.970 4.059 -0.089 25573 6597 1 12 . 1 1 67 67 LEU CA C 67 56.986 56.986 57.590 -0.604 25573 6598 1 12 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.012 -9.266 25573 6599 1 12 . 1 1 67 67 LEU H H 67 8.971 8.971 7.987 0.984 25573 6600 1 12 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.005 0.424 25573 6601 1 12 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.623 -3.858 25573 6602 1 12 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.504 0.297 25573 6603 1 12 . 1 1 70 70 ARG N N 70 122.186 122.186 119.151 3.035 25573 6604 1 12 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.118 0.368 25573 6605 1 12 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.621 -7.088 25573 6606 1 12 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.214 0.127 25573 6607 1 12 . 1 1 70 70 ARG H H 70 8.345 8.345 7.894 0.451 25573 6608 1 12 . 1 1 71 71 ARG N N 71 121.616 121.616 118.738 2.878 25573 6609 1 12 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.041 -1.417 25573 6610 1 12 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.811 -4.632 25573 6611 1 12 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.561 0.446 25573 6612 1 12 . 1 1 71 71 ARG H H 71 8.480 8.480 7.959 0.521 25573 6613 1 12 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.067 0.005 25573 6614 1 12 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.841 -2.865 25573 6615 1 12 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.389 -1.637 25573 6616 1 12 . 1 1 74 74 PHE N N 74 115.001 115.001 117.534 -2.533 25573 6617 1 12 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.313 0.509 25573 6618 1 12 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.455 -4.334 25573 6619 1 12 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.552 -2.965 25573 6620 1 12 . 1 1 74 74 PHE H H 74 8.530 8.530 7.789 0.741 25573 6621 1 12 . 1 1 75 75 GLY N N 75 110.366 110.366 105.013 5.353 25573 6622 1 12 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.838 -2.834 25573 6623 1 12 . 1 1 75 75 GLY H H 75 7.799 7.799 7.686 0.113 25573 6624 1 12 . 1 1 76 76 SER N N 76 113.283 113.283 114.599 -1.316 25573 6625 1 12 . 1 1 76 76 SER HA H 76 4.523 4.523 4.824 -0.301 25573 6626 1 12 . 1 1 76 76 SER CA C 76 54.361 54.361 57.435 -3.074 25573 6627 1 12 . 1 1 76 76 SER CB C 76 61.887 61.887 65.378 -3.491 25573 6628 1 12 . 1 1 76 76 SER H H 76 8.417 8.417 8.467 -0.050 25573 6629 1 12 . 1 1 77 77 SER N N 77 114.950 114.950 119.289 -4.339 25573 6630 1 12 . 1 1 77 77 SER HA H 77 4.535 4.535 5.001 -0.466 25573 6631 1 12 . 1 1 77 77 SER CA C 77 53.833 53.833 56.898 -3.066 25573 6632 1 12 . 1 1 77 77 SER CB C 77 63.488 63.488 65.540 -2.052 25573 6633 1 12 . 1 1 77 77 SER H H 77 8.428 8.428 8.467 -0.039 25573 6634 1 12 . 1 1 78 78 LYS N N 78 122.032 122.032 123.832 -1.800 25573 6635 1 12 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.000 0.675 25573 6636 1 12 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.463 -5.336 25573 6637 1 12 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.221 -2.986 25573 6638 1 12 . 1 1 78 78 LYS H H 78 9.044 9.044 8.900 0.144 25573 6639 1 12 . 1 1 79 79 GLU N N 79 118.232 118.232 119.714 -1.482 25573 6640 1 12 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.194 0.098 25573 6641 1 12 . 1 1 79 79 GLU CA C 79 58.104 58.104 60.105 -2.001 25573 6642 1 12 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.469 -2.623 25573 6643 1 12 . 1 1 79 79 GLU H H 79 8.795 8.795 7.954 0.841 25573 6644 1 12 . 1 1 80 80 ILE N N 80 120.491 120.491 120.729 -0.238 25573 6645 1 12 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.700 0.029 25573 6646 1 12 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.542 -3.076 25573 6647 1 12 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.966 -1.857 25573 6648 1 12 . 1 1 80 80 ILE H H 80 7.892 7.892 7.713 0.179 25573 6649 1 12 . 1 1 81 81 ASP N N 81 120.491 120.491 120.258 0.233 25573 6650 1 12 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.349 -0.043 25573 6651 1 12 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.871 -2.497 25573 6652 1 12 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.534 -3.158 25573 6653 1 12 . 1 1 81 81 ASP H H 81 8.424 8.424 8.437 -0.013 25573 6654 1 12 . 1 1 82 82 MET N N 82 118.588 118.588 118.519 0.069 25573 6655 1 12 . 1 1 82 82 MET HA H 82 4.610 4.610 4.140 0.470 25573 6656 1 12 . 1 1 82 82 MET CA C 82 54.472 54.472 59.334 -4.862 25573 6657 1 12 . 1 1 82 82 MET CB C 82 29.557 29.557 32.659 -3.102 25573 6658 1 12 . 1 1 82 82 MET H H 82 8.215 8.215 8.185 0.030 25573 6659 1 12 . 1 1 83 83 ALA N N 83 127.525 127.525 123.378 4.147 25573 6660 1 12 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.209 -0.110 25573 6661 1 12 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.111 -1.203 25573 6662 1 12 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.305 -3.495 25573 6663 1 12 . 1 1 83 83 ALA H H 83 10.165 10.165 7.811 2.354 25573 6664 1 12 . 1 1 84 84 ILE N N 84 115.968 115.968 118.492 -2.524 25573 6665 1 12 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.638 -0.104 25573 6666 1 12 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.618 -1.240 25573 6667 1 12 . 1 1 84 84 ILE CB C 84 35.417 35.417 38.059 -2.642 25573 6668 1 12 . 1 1 84 84 ILE H H 84 8.437 8.437 7.772 0.665 25573 6669 1 12 . 1 1 85 85 VAL N N 85 117.106 117.106 119.897 -2.791 25573 6670 1 12 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.474 0.571 25573 6671 1 12 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.539 -11.614 25573 6672 1 12 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.491 -2.306 25573 6673 1 12 . 1 1 85 85 VAL H H 85 7.835 7.835 7.817 0.018 25573 6674 1 12 . 1 1 86 86 THR N N 86 116.673 116.673 114.781 1.892 25573 6675 1 12 . 1 1 86 86 THR HA H 86 4.181 4.181 3.911 0.270 25573 6676 1 12 . 1 1 86 86 THR CA C 86 59.627 59.627 66.481 -6.854 25573 6677 1 12 . 1 1 86 86 THR CB C 86 65.856 65.856 68.726 -2.870 25573 6678 1 12 . 1 1 86 86 THR H H 86 8.254 8.254 8.306 -0.052 25573 6679 1 12 . 1 1 87 87 LEU N N 87 121.447 121.447 121.949 -0.502 25573 6680 1 12 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.031 0.551 25573 6681 1 12 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.644 -0.788 25573 6682 1 12 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.714 -9.889 25573 6683 1 12 . 1 1 87 87 LEU H H 87 7.913 7.913 7.900 0.013 25573 6684 1 12 . 1 1 88 88 LYS N N 88 119.505 119.505 119.936 -0.431 25573 6685 1 12 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.626 0.515 25573 6686 1 12 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.525 -3.454 25573 6687 1 12 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.249 -2.362 25573 6688 1 12 . 1 1 88 88 LYS H H 88 7.970 7.970 7.581 0.389 25573 6689 1 12 . 1 1 89 89 VAL N N 89 119.366 119.366 117.587 1.779 25573 6690 1 12 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.542 0.278 25573 6691 1 12 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.357 -9.401 25573 6692 1 12 . 1 1 89 89 VAL H H 89 8.082 8.082 8.011 0.071 25573 6693 1 12 . 1 1 90 90 PHE N N 90 119.366 119.366 120.649 -1.283 25573 6694 1 12 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.019 0.405 25573 6695 1 12 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.424 -4.273 25573 6696 1 12 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.758 -3.127 25573 6697 1 12 . 1 1 90 90 PHE H H 90 8.104 8.104 8.459 -0.355 25573 6698 1 12 . 1 1 91 91 ALA N N 91 118.916 118.916 122.028 -3.112 25573 6699 1 12 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.655 0.861 25573 6700 1 12 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.886 -0.474 25573 6701 1 12 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.029 -2.139 25573 6702 1 12 . 1 1 91 91 ALA H H 91 8.187 8.187 7.001 1.186 25573 6703 1 12 . 1 1 92 92 VAL N N 92 113.741 113.741 118.807 -5.066 25573 6704 1 12 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.559 0.028 25573 6705 1 12 . 1 1 92 92 VAL CA C 92 63.579 63.579 67.127 -3.548 25573 6706 1 12 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.754 -0.962 25573 6707 1 12 . 1 1 92 92 VAL H H 92 8.196 8.196 8.024 0.172 25573 6708 1 12 . 1 1 93 93 ALA N N 93 119.366 119.366 120.396 -1.030 25573 6709 1 12 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.198 0.496 25573 6710 1 12 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.630 -4.349 25573 6711 1 12 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.014 -1.299 25573 6712 1 12 . 1 1 93 93 ALA H H 93 8.564 8.564 7.918 0.646 25573 6713 1 12 . 1 1 94 94 GLY N N 94 104.958 104.958 107.503 -2.545 25573 6714 1 12 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.858 -1.934 25573 6715 1 12 . 1 1 94 94 GLY H H 94 6.940 6.940 7.275 -0.335 25573 6716 1 12 . 1 1 95 95 LEU N N 95 120.679 120.679 121.447 -0.768 25573 6717 1 12 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.070 -0.065 25573 6718 1 12 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.063 -2.659 25573 6719 1 12 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.345 -3.120 25573 6720 1 12 . 1 1 95 95 LEU H H 95 7.724 7.724 7.835 -0.111 25573 6721 1 12 . 1 1 96 96 LEU N N 96 115.261 115.261 117.093 -1.832 25573 6722 1 12 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.257 0.018 25573 6723 1 12 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.740 -2.470 25573 6724 1 12 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.384 -3.698 25573 6725 1 12 . 1 1 96 96 LEU H H 96 7.723 7.723 7.646 0.077 25573 6726 1 12 . 1 1 97 97 ASN N N 97 112.672 112.672 113.500 -0.828 25573 6727 1 12 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.401 -0.160 25573 6728 1 12 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.164 -2.964 25573 6729 1 12 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.547 -2.102 25573 6730 1 12 . 1 1 97 97 ASN H H 97 6.694 6.694 7.365 -0.671 25573 6731 1 12 . 1 1 98 98 MET N N 98 115.968 115.968 116.951 -0.983 25573 6732 1 12 . 1 1 98 98 MET HA H 98 4.614 4.614 4.291 0.323 25573 6733 1 12 . 1 1 98 98 MET CA C 98 51.685 51.685 57.257 -5.572 25573 6734 1 12 . 1 1 98 98 MET CB C 98 29.808 29.808 33.166 -3.358 25573 6735 1 12 . 1 1 98 98 MET H H 98 8.168 8.168 7.598 0.570 25573 6736 1 12 . 1 1 99 99 THR N N 99 118.683 118.683 115.010 3.673 25573 6737 1 12 . 1 1 99 99 THR HA H 99 4.184 4.184 4.454 -0.270 25573 6738 1 12 . 1 1 99 99 THR CA C 99 59.813 59.813 61.281 -1.468 25573 6739 1 12 . 1 1 99 99 THR CB C 99 65.438 65.438 68.890 -3.452 25573 6740 1 12 . 1 1 99 99 THR H H 99 8.562 8.562 8.266 0.296 25573 6741 1 12 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.181 -0.062 25573 6742 1 12 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.172 -5.470 25573 6743 1 12 . 1 1 100 100 VAL H H 100 8.392 8.392 7.851 0.541 25573 6744 1 12 . 1 1 101 101 SER N N 101 121.736 121.736 120.228 1.508 25573 6745 1 12 . 1 1 101 101 SER HA H 101 4.645 4.645 4.645 -0.000 25573 6746 1 12 . 1 1 101 101 SER CA C 101 56.852 56.852 57.959 -1.107 25573 6747 1 12 . 1 1 101 101 SER CB C 101 61.739 61.739 63.454 -1.715 25573 6748 1 12 . 1 1 101 101 SER H H 101 8.079 8.079 8.843 -0.764 25573 6749 1 12 . 1 1 102 102 THR N N 102 110.147 110.147 110.347 -0.200 25573 6750 1 12 . 1 1 102 102 THR HA H 102 5.450 5.450 4.866 0.584 25573 6751 1 12 . 1 1 102 102 THR CA C 102 56.522 56.522 60.761 -4.239 25573 6752 1 12 . 1 1 102 102 THR CB C 102 71.007 71.007 71.207 -0.200 25573 6753 1 12 . 1 1 102 102 THR H H 102 7.276 7.276 7.255 0.021 25573 6754 1 12 . 1 1 103 103 ALA N N 103 124.013 124.013 128.944 -4.931 25573 6755 1 12 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.019 -0.065 25573 6756 1 12 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.445 -3.167 25573 6757 1 12 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.695 -3.010 25573 6758 1 12 . 1 1 103 103 ALA H H 103 8.433 8.433 8.476 -0.043 25573 6759 1 12 . 1 1 104 104 ALA N N 104 119.649 119.649 120.135 -0.486 25573 6760 1 12 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.017 0.269 25573 6761 1 12 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.396 -2.094 25573 6762 1 12 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.224 -1.704 25573 6763 1 12 . 1 1 104 104 ALA H H 104 8.474 8.474 8.294 0.180 25573 6764 1 12 . 1 1 105 105 ALA N N 105 120.587 120.587 121.096 -0.509 25573 6765 1 12 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.058 0.206 25573 6766 1 12 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.797 -2.599 25573 6767 1 12 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.316 -2.571 25573 6768 1 12 . 1 1 105 105 ALA H H 105 8.050 8.050 7.697 0.353 25573 6769 1 12 . 1 1 106 106 ALA N N 106 121.752 121.752 121.409 0.343 25573 6770 1 12 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.918 -0.651 25573 6771 1 12 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.318 -3.807 25573 6772 1 12 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.118 -2.070 25573 6773 1 12 . 1 1 106 106 ALA H H 106 8.071 8.071 7.844 0.227 25573 6774 1 12 . 1 1 107 107 GLU N N 107 119.133 119.133 118.686 0.447 25573 6775 1 12 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.030 -0.171 25573 6776 1 12 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.568 -2.233 25573 6777 1 12 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.657 -2.548 25573 6778 1 12 . 1 1 107 107 GLU H H 107 8.711 8.711 7.962 0.749 25573 6779 1 12 . 1 1 108 108 ASN N N 108 118.306 118.306 118.876 -0.570 25573 6780 1 12 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.494 0.107 25573 6781 1 12 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.103 -2.132 25573 6782 1 12 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.487 -3.035 25573 6783 1 12 . 1 1 108 108 ASN H H 108 8.045 8.045 7.943 0.102 25573 6784 1 12 . 1 1 109 109 MET N N 109 120.038 120.038 120.498 -0.460 25573 6785 1 12 . 1 1 109 109 MET HA H 109 4.305 4.305 4.284 0.021 25573 6786 1 12 . 1 1 109 109 MET CA C 109 55.602 55.602 57.326 -1.724 25573 6787 1 12 . 1 1 109 109 MET CB C 109 29.771 29.771 31.840 -2.069 25573 6788 1 12 . 1 1 109 109 MET H H 109 8.401 8.401 8.003 0.398 25573 6789 1 12 . 1 1 110 110 TYR N N 110 121.616 121.616 120.502 1.114 25573 6790 1 12 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.090 -0.427 25573 6791 1 12 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.533 -2.608 25573 6792 1 12 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.345 -2.419 25573 6793 1 12 . 1 1 110 110 TYR H H 110 8.651 8.651 8.827 -0.176 25573 6794 1 12 . 1 1 111 111 SER N N 111 110.621 110.621 114.399 -3.778 25573 6795 1 12 . 1 1 111 111 SER HA H 111 4.540 4.540 4.169 0.371 25573 6796 1 12 . 1 1 111 111 SER CA C 111 58.395 58.395 61.706 -3.311 25573 6797 1 12 . 1 1 111 111 SER CB C 111 60.600 60.600 62.784 -2.184 25573 6798 1 12 . 1 1 111 111 SER H H 111 7.394 7.394 8.018 -0.624 25573 6799 1 12 . 1 1 112 112 GLN N N 112 125.643 125.643 121.186 4.457 25573 6800 1 12 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.073 -0.014 25573 6801 1 12 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.391 -2.308 25573 6802 1 12 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.640 -2.995 25573 6803 1 12 . 1 1 112 112 GLN H H 112 8.774 8.774 8.083 0.691 25573 6804 1 12 . 1 1 113 113 MET N N 113 114.866 114.866 114.745 0.121 25573 6805 1 12 . 1 1 113 113 MET HA H 113 4.275 4.275 4.388 -0.113 25573 6806 1 12 . 1 1 113 113 MET CA C 113 53.246 53.246 55.725 -2.479 25573 6807 1 12 . 1 1 113 113 MET CB C 113 31.365 31.365 33.257 -1.892 25573 6808 1 12 . 1 1 113 113 MET H H 113 8.070 8.070 7.855 0.215 25573 6809 1 12 . 1 1 114 114 GLY N N 114 107.252 107.252 105.578 1.674 25573 6810 1 12 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.139 -2.179 25573 6811 1 12 . 1 1 114 114 GLY H H 114 8.012 8.012 7.708 0.304 25573 6812 1 12 . 1 1 115 115 LEU N N 115 114.939 114.939 116.943 -2.004 25573 6813 1 12 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.346 -0.471 25573 6814 1 12 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.710 -1.501 25573 6815 1 12 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.937 -6.479 25573 6816 1 12 . 1 1 115 115 LEU H H 115 7.447 7.447 8.079 -0.632 25573 6817 1 12 . 1 1 116 116 ASP N N 116 116.423 116.423 118.980 -2.557 25573 6818 1 12 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.723 -0.053 25573 6819 1 12 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.514 -2.211 25573 6820 1 12 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.836 -5.517 25573 6821 1 12 . 1 1 116 116 ASP H H 116 8.518 8.518 7.477 1.041 25573 6822 1 12 . 1 1 117 117 THR N N 117 113.582 113.582 114.853 -1.271 25573 6823 1 12 . 1 1 117 117 THR HA H 117 4.194 4.194 4.543 -0.349 25573 6824 1 12 . 1 1 117 117 THR CA C 117 58.925 58.925 61.906 -2.981 25573 6825 1 12 . 1 1 117 117 THR CB C 117 67.320 67.320 69.142 -1.822 25573 6826 1 12 . 1 1 117 117 THR H H 117 7.240 7.240 8.363 -1.123 25573 6827 1 12 . 1 1 118 118 ARG N N 118 126.068 126.068 122.082 3.986 25573 6828 1 12 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.730 -0.164 25573 6829 1 12 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.383 -2.040 25573 6830 1 12 . 1 1 118 118 ARG CB C 118 33.708 33.708 30.892 2.816 25573 6831 1 12 . 1 1 118 118 ARG H H 118 8.711 8.711 8.025 0.686 25573 6832 1 12 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.535 -2.457 25573 6833 1 12 . 1 1 119 119 PRO CA C 119 60.043 60.043 63.319 -3.276 25573 6834 1 12 . 1 1 120 120 SER N N 120 116.251 116.251 118.323 -2.072 25573 6835 1 12 . 1 1 120 120 SER HA H 120 4.385 4.385 4.615 -0.230 25573 6836 1 12 . 1 1 120 120 SER CA C 120 55.352 55.352 58.025 -2.673 25573 6837 1 12 . 1 1 120 120 SER CB C 120 61.037 61.037 64.373 -3.336 25573 6838 1 12 . 1 1 120 120 SER H H 120 8.385 8.385 8.046 0.339 25573 6839 1 12 . 1 1 121 121 MET N N 121 123.171 123.171 122.147 1.024 25573 6840 1 12 . 1 1 121 121 MET HA H 121 4.289 4.289 4.780 -0.491 25573 6841 1 12 . 1 1 121 121 MET CA C 121 53.282 53.282 55.099 -1.817 25573 6842 1 12 . 1 1 121 121 MET CB C 121 30.755 30.755 34.752 -3.997 25573 6843 1 12 . 1 1 121 121 MET H H 121 8.297 8.297 8.402 -0.105 25573 6844 1 12 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.329 -0.071 25573 6845 1 12 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.240 -2.571 25573 6846 1 12 . 1 1 123 123 GLU N N 123 122.135 122.135 119.392 2.743 25573 6847 1 12 . 1 1 123 123 GLU CA C 123 47.903 47.903 55.453 -7.550 25573 6848 1 12 . 1 1 123 123 GLU CB C 123 30.404 30.404 31.523 -1.119 25573 6849 1 12 . 1 1 123 123 GLU H H 123 8.505 8.505 8.498 0.007 25573 6850 1 12 . 1 1 124 124 ALA N N 124 125.340 125.340 122.754 2.586 25573 6851 1 12 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.725 -0.394 25573 6852 1 12 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.937 -2.104 25573 6853 1 12 . 1 1 124 124 ALA CB C 124 16.665 16.665 19.598 -2.933 25573 6854 1 12 . 1 1 124 124 ALA H H 124 8.422 8.422 8.504 -0.082 25573 6855 1 12 . 1 1 125 125 GLY N N 125 108.426 108.426 110.093 -1.667 25573 6856 1 12 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.002 -1.262 25573 6857 1 12 . 1 1 125 125 GLY H H 125 8.401 8.401 8.354 0.047 25573 6858 1 12 . 1 1 126 126 GLY N N 126 109.792 109.792 108.256 1.536 25573 6859 1 12 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.717 -2.470 25573 6860 1 12 . 1 1 126 126 GLY H H 126 8.515 8.515 8.180 0.335 25573 6861 1 12 . 1 1 127 127 LYS N N 127 120.366 120.366 121.958 -1.592 25573 6862 1 12 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.531 -0.210 25573 6863 1 12 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.466 -1.922 25573 6864 1 12 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.475 -3.123 25573 6865 1 12 . 1 1 127 127 LYS H H 127 8.244 8.244 8.027 0.217 25573 6866 1 12 . 1 1 128 128 GLU N N 128 122.270 122.270 124.536 -2.266 25573 6867 1 12 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.542 -0.498 25573 6868 1 12 . 1 1 128 128 GLU H H 128 8.559 8.559 8.550 0.009 25573 6869 1 12 . 1 1 129 129 GLU N N 129 122.282 122.282 123.413 -1.131 25573 6870 1 12 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.345 0.191 25573 6871 1 12 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.444 -0.255 25573 6872 1 12 . 1 1 129 129 GLU H H 129 8.027 8.027 8.416 -0.389 25573 6873 1 12 . 1 1 130 130 GLY N N 130 110.258 110.258 110.085 0.173 25573 6874 1 12 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.600 -2.939 25573 6875 1 12 . 1 1 130 130 GLY H H 130 10.190 10.190 8.434 1.756 25573 6876 1 12 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.494 -0.115 25573 6877 1 12 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.685 -2.216 25573 6878 1 12 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.452 -3.221 25573 6879 1 12 . 1 1 133 133 GLN N N 133 119.932 119.932 118.082 1.850 25573 6880 1 12 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.388 -0.069 25573 6881 1 12 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.414 -2.166 25573 6882 1 12 . 1 1 133 133 GLN CB C 133 29.655 29.655 29.209 0.446 25573 6883 1 12 . 1 1 133 133 GLN H H 133 8.478 8.478 8.316 0.162 25573 6884 1 12 . 1 1 134 134 ALA N N 134 124.828 124.828 125.897 -1.069 25573 6885 1 12 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.448 -0.199 25573 6886 1 12 . 1 1 134 134 ALA CA C 134 49.692 49.692 51.879 -2.187 25573 6887 1 12 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.199 -3.175 25573 6888 1 12 . 1 1 134 134 ALA H H 134 8.263 8.263 8.669 -0.406 25573 6889 1 13 . 1 1 3 3 ASN N N 3 119.366 119.366 117.588 1.778 25573 6890 1 13 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.540 0.043 25573 6891 1 13 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.327 -1.936 25573 6892 1 13 . 1 1 3 3 ASN CB C 3 35.712 35.712 37.672 -1.960 25573 6893 1 13 . 1 1 3 3 ASN H H 3 8.596 8.596 8.718 -0.122 25573 6894 1 13 . 1 1 4 4 GLY N N 4 112.829 112.829 103.883 8.946 25573 6895 1 13 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.096 -2.394 25573 6896 1 13 . 1 1 4 4 GLY H H 4 8.073 8.073 8.307 -0.234 25573 6897 1 13 . 1 1 5 5 ALA N N 5 123.630 123.630 121.845 1.785 25573 6898 1 13 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.596 -0.193 25573 6899 1 13 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.113 -2.473 25573 6900 1 13 . 1 1 5 5 ALA CB C 5 16.414 16.414 20.936 -4.522 25573 6901 1 13 . 1 1 5 5 ALA H H 5 8.008 8.008 7.481 0.527 25573 6902 1 13 . 1 1 6 6 SER N N 6 114.866 114.866 120.770 -5.904 25573 6903 1 13 . 1 1 6 6 SER HA H 6 4.270 4.270 4.742 -0.472 25573 6904 1 13 . 1 1 6 6 SER CA C 6 56.023 56.023 57.880 -1.857 25573 6905 1 13 . 1 1 6 6 SER CB C 6 60.936 60.936 63.208 -2.272 25573 6906 1 13 . 1 1 6 6 SER H H 6 8.293 8.293 8.885 -0.592 25573 6907 1 13 . 1 1 7 7 ARG N N 7 119.250 119.250 122.319 -3.069 25573 6908 1 13 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.198 0.308 25573 6909 1 13 . 1 1 7 7 ARG CB C 7 30.422 30.422 29.841 0.581 25573 6910 1 13 . 1 1 7 7 ARG H H 7 8.305 8.305 8.384 -0.079 25573 6911 1 13 . 1 1 8 8 ASP N N 8 119.662 119.662 119.170 0.492 25573 6912 1 13 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.412 -0.259 25573 6913 1 13 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.870 -2.316 25573 6914 1 13 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.465 -13.964 25573 6915 1 13 . 1 1 8 8 ASP H H 8 7.915 7.915 8.740 -0.825 25573 6916 1 13 . 1 1 9 9 TRP N N 9 121.861 121.861 121.229 0.632 25573 6917 1 13 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.442 -0.326 25573 6918 1 13 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.687 -3.725 25573 6919 1 13 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.820 -1.798 25573 6920 1 13 . 1 1 9 9 TRP H H 9 8.222 8.222 7.627 0.595 25573 6921 1 13 . 1 1 10 10 LYS N N 10 118.681 118.681 119.747 -1.066 25573 6922 1 13 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.778 0.504 25573 6923 1 13 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.609 -0.710 25573 6924 1 13 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.389 -4.350 25573 6925 1 13 . 1 1 10 10 LYS H H 10 8.003 8.003 8.130 -0.127 25573 6926 1 13 . 1 1 11 11 MET N N 11 119.366 119.366 118.490 0.876 25573 6927 1 13 . 1 1 11 11 MET HA H 11 4.559 4.559 4.157 0.402 25573 6928 1 13 . 1 1 11 11 MET CA C 11 53.485 53.485 58.439 -4.954 25573 6929 1 13 . 1 1 11 11 MET H H 11 8.041 8.041 8.164 -0.123 25573 6930 1 13 . 1 1 12 12 ALA N N 12 122.650 122.650 122.808 -0.158 25573 6931 1 13 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.044 0.165 25573 6932 1 13 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.988 4.811 25573 6933 1 13 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.381 -0.609 25573 6934 1 13 . 1 1 12 12 ALA H H 12 7.904 7.904 8.053 -0.149 25573 6935 1 13 . 1 1 13 13 ILE N N 13 117.322 117.322 117.094 0.228 25573 6936 1 13 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.499 2.079 25573 6937 1 13 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.481 -7.578 25573 6938 1 13 . 1 1 13 13 ILE H H 13 8.380 8.380 8.248 0.132 25573 6939 1 13 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.211 1.705 25573 6940 1 13 . 1 1 16 16 CYS N N 16 116.263 116.263 120.115 -3.852 25573 6941 1 13 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.300 -0.255 25573 6942 1 13 . 1 1 16 16 CYS CA C 16 59.784 59.784 60.668 -0.884 25573 6943 1 13 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.580 2.230 25573 6944 1 13 . 1 1 16 16 CYS H H 16 7.799 7.799 8.086 -0.287 25573 6945 1 13 . 1 1 17 17 SER N N 17 114.606 114.606 117.110 -2.504 25573 6946 1 13 . 1 1 17 17 SER HA H 17 4.952 4.952 4.346 0.606 25573 6947 1 13 . 1 1 17 17 SER CA C 17 58.171 58.171 61.701 -3.530 25573 6948 1 13 . 1 1 17 17 SER CB C 17 60.740 60.740 62.854 -2.114 25573 6949 1 13 . 1 1 17 17 SER H H 17 7.830 7.830 8.197 -0.367 25573 6950 1 13 . 1 1 18 18 ASN N N 18 116.143 116.143 119.836 -3.693 25573 6951 1 13 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.868 0.140 25573 6952 1 13 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.411 -1.936 25573 6953 1 13 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.842 -1.553 25573 6954 1 13 . 1 1 18 18 ASN H H 18 7.557 7.557 7.755 -0.198 25573 6955 1 13 . 1 1 19 19 VAL N N 19 121.616 121.616 118.945 2.671 25573 6956 1 13 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.296 -0.797 25573 6957 1 13 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.451 -0.721 25573 6958 1 13 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.056 -5.014 25573 6959 1 13 . 1 1 19 19 VAL H H 19 7.919 7.919 7.755 0.164 25573 6960 1 13 . 1 1 20 20 ALA N N 20 129.139 129.139 129.684 -0.545 25573 6961 1 13 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.883 -0.088 25573 6962 1 13 . 1 1 20 20 ALA C C 20 169.500 169.500 177.927 -8.427 25573 6963 1 13 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.780 -0.365 25573 6964 1 13 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.059 -3.344 25573 6965 1 13 . 1 1 20 20 ALA H H 20 8.150 8.150 7.661 0.489 25573 6966 1 13 . 1 1 21 21 VAL N N 21 120.390 120.390 118.245 2.145 25573 6967 1 13 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.767 -0.000 25573 6968 1 13 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.515 -0.937 25573 6969 1 13 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.679 -1.933 25573 6970 1 13 . 1 1 21 21 VAL H H 21 8.319 8.319 8.159 0.160 25573 6971 1 13 . 1 1 22 22 GLY N N 22 108.884 108.884 106.417 2.467 25573 6972 1 13 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.683 -1.715 25573 6973 1 13 . 1 1 22 22 GLY H H 22 8.221 8.221 7.316 0.905 25573 6974 1 13 . 1 1 23 23 VAL N N 23 117.439 117.439 116.119 1.320 25573 6975 1 13 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.984 0.254 25573 6976 1 13 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.520 -4.432 25573 6977 1 13 . 1 1 23 23 VAL CB C 23 30.434 30.434 31.451 -1.017 25573 6978 1 13 . 1 1 23 23 VAL H H 23 8.003 8.003 8.532 -0.529 25573 6979 1 13 . 1 1 24 24 GLY N N 24 112.616 112.616 106.998 5.618 25573 6980 1 13 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.656 -1.877 25573 6981 1 13 . 1 1 24 24 GLY H H 24 8.716 8.716 7.612 1.104 25573 6982 1 13 . 1 1 25 25 GLY N N 25 108.753 108.753 107.423 1.330 25573 6983 1 13 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.747 -2.747 25573 6984 1 13 . 1 1 25 25 GLY H H 25 8.286 8.286 8.295 -0.009 25573 6985 1 13 . 1 1 26 26 LYS HA H 26 4.376 4.376 3.972 0.404 25573 6986 1 13 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.636 -3.124 25573 6987 1 13 . 1 1 27 27 SER HA H 27 4.922 4.922 4.414 0.508 25573 6988 1 13 . 1 1 27 27 SER CA C 27 56.876 56.876 58.299 -1.423 25573 6989 1 13 . 1 1 27 27 SER CB C 27 64.578 64.578 64.212 0.366 25573 6990 1 13 . 1 1 27 27 SER H H 27 7.831 7.831 7.914 -0.083 25573 6991 1 13 . 1 1 28 28 LYS N N 28 122.919 122.919 121.658 1.261 25573 6992 1 13 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.543 -0.359 25573 6993 1 13 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.409 1.130 25573 6994 1 13 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.385 -1.019 25573 6995 1 13 . 1 1 28 28 LYS H H 28 8.589 8.589 8.237 0.352 25573 6996 1 13 . 1 1 29 29 LYS N N 29 120.917 120.917 118.029 2.888 25573 6997 1 13 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.619 -0.236 25573 6998 1 13 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.283 -1.748 25573 6999 1 13 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.931 -2.855 25573 7000 1 13 . 1 1 29 29 LYS H H 29 8.471 8.471 8.106 0.365 25573 7001 1 13 . 1 1 30 30 PHE N N 30 119.366 119.366 120.199 -0.833 25573 7002 1 13 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.493 -0.635 25573 7003 1 13 . 1 1 30 30 PHE CA C 30 58.172 58.172 56.660 1.512 25573 7004 1 13 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.780 -2.538 25573 7005 1 13 . 1 1 30 30 PHE H H 30 8.000 8.000 8.153 -0.153 25573 7006 1 13 . 1 1 31 31 GLY N N 31 106.991 106.991 105.416 1.575 25573 7007 1 13 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.377 -3.442 25573 7008 1 13 . 1 1 31 31 GLY H H 31 8.404 8.404 7.728 0.676 25573 7009 1 13 . 1 1 32 32 GLU N N 32 120.491 120.491 119.066 1.425 25573 7010 1 13 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.025 0.087 25573 7011 1 13 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.418 -1.247 25573 7012 1 13 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.522 -2.216 25573 7013 1 13 . 1 1 32 32 GLU H H 32 9.168 9.168 8.809 0.359 25573 7014 1 13 . 1 1 33 33 GLY N N 33 109.241 109.241 108.141 1.100 25573 7015 1 13 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.627 -3.036 25573 7016 1 13 . 1 1 33 33 GLY H H 33 8.613 8.613 8.423 0.190 25573 7017 1 13 . 1 1 34 34 ASN N N 34 118.241 118.241 120.420 -2.179 25573 7018 1 13 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.443 -0.405 25573 7019 1 13 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.147 -1.684 25573 7020 1 13 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.197 -1.802 25573 7021 1 13 . 1 1 34 34 ASN H H 34 7.897 7.897 7.854 0.043 25573 7022 1 13 . 1 1 35 35 PHE N N 35 117.116 117.116 118.726 -1.610 25573 7023 1 13 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.131 -0.043 25573 7024 1 13 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.268 -0.956 25573 7025 1 13 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.692 -1.864 25573 7026 1 13 . 1 1 35 35 PHE H H 35 7.180 7.180 7.466 -0.286 25573 7027 1 13 . 1 1 36 36 ARG N N 36 117.825 117.825 118.987 -1.162 25573 7028 1 13 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.003 -0.431 25573 7029 1 13 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.824 -1.582 25573 7030 1 13 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.724 4.273 25573 7031 1 13 . 1 1 36 36 ARG H H 36 8.278 8.278 8.002 0.276 25573 7032 1 13 . 1 1 37 37 TRP N N 37 118.845 118.845 121.566 -2.721 25573 7033 1 13 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.216 -0.082 25573 7034 1 13 . 1 1 37 37 TRP CA C 37 58.900 58.900 62.001 -3.101 25573 7035 1 13 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.146 -1.697 25573 7036 1 13 . 1 1 37 37 TRP H H 37 8.106 8.106 8.072 0.034 25573 7037 1 13 . 1 1 38 38 ALA N N 38 119.609 119.609 122.471 -2.862 25573 7038 1 13 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.609 0.820 25573 7039 1 13 . 1 1 38 38 ALA CA C 38 52.894 52.894 55.033 -2.139 25573 7040 1 13 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.562 -2.163 25573 7041 1 13 . 1 1 38 38 ALA H H 38 8.332 8.332 8.020 0.312 25573 7042 1 13 . 1 1 39 39 ILE N N 39 114.866 114.866 119.750 -4.884 25573 7043 1 13 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.577 0.787 25573 7044 1 13 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.907 -10.323 25573 7045 1 13 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.695 -6.203 25573 7046 1 13 . 1 1 39 39 ILE H H 39 8.161 8.161 8.484 -0.323 25573 7047 1 13 . 1 1 40 40 ARG N N 40 120.240 120.240 119.842 0.398 25573 7048 1 13 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.881 0.185 25573 7049 1 13 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.234 -2.595 25573 7050 1 13 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.869 -0.060 25573 7051 1 13 . 1 1 40 40 ARG H H 40 8.446 8.446 8.309 0.137 25573 7052 1 13 . 1 1 41 41 MET HA H 41 4.305 4.305 3.882 0.423 25573 7053 1 13 . 1 1 41 41 MET CA C 41 53.585 53.585 58.212 -4.627 25573 7054 1 13 . 1 1 41 41 MET CB C 41 29.902 29.902 31.918 -2.015 25573 7055 1 13 . 1 1 42 42 ALA N N 42 122.782 122.782 119.848 2.934 25573 7056 1 13 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.933 0.615 25573 7057 1 13 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.892 -2.616 25573 7058 1 13 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.110 -1.250 25573 7059 1 13 . 1 1 42 42 ALA H H 42 8.556 8.556 7.820 0.736 25573 7060 1 13 . 1 1 43 43 ASN N N 43 119.366 119.366 117.248 2.118 25573 7061 1 13 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.466 0.228 25573 7062 1 13 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.242 -5.905 25573 7063 1 13 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.465 -2.774 25573 7064 1 13 . 1 1 43 43 ASN H H 43 8.613 8.613 8.266 0.347 25573 7065 1 13 . 1 1 44 44 VAL N N 44 118.466 118.466 118.857 -0.391 25573 7066 1 13 . 1 1 44 44 VAL HA H 44 3.899 3.899 4.154 -0.255 25573 7067 1 13 . 1 1 44 44 VAL CA C 44 63.094 63.094 63.907 -0.813 25573 7068 1 13 . 1 1 44 44 VAL CB C 44 28.921 28.921 32.259 -3.338 25573 7069 1 13 . 1 1 44 44 VAL H H 44 8.464 8.464 7.733 0.731 25573 7070 1 13 . 1 1 45 45 SER N N 45 113.763 113.763 116.583 -2.820 25573 7071 1 13 . 1 1 45 45 SER HA H 45 4.328 4.328 4.186 0.142 25573 7072 1 13 . 1 1 45 45 SER CA C 45 58.553 58.553 61.191 -2.638 25573 7073 1 13 . 1 1 45 45 SER CB C 45 61.343 61.343 63.439 -2.096 25573 7074 1 13 . 1 1 45 45 SER H H 45 7.963 7.963 8.485 -0.522 25573 7075 1 13 . 1 1 46 46 THR N N 46 106.729 106.729 109.554 -2.825 25573 7076 1 13 . 1 1 46 46 THR HA H 46 4.602 4.602 4.492 0.110 25573 7077 1 13 . 1 1 46 46 THR CA C 46 58.026 58.026 61.635 -3.608 25573 7078 1 13 . 1 1 46 46 THR CB C 46 67.285 67.285 69.578 -2.293 25573 7079 1 13 . 1 1 46 46 THR H H 46 7.560 7.560 7.736 -0.176 25573 7080 1 13 . 1 1 47 47 GLY N N 47 109.384 109.384 110.544 -1.160 25573 7081 1 13 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.365 -1.556 25573 7082 1 13 . 1 1 47 47 GLY H H 47 7.539 7.539 7.565 -0.026 25573 7083 1 13 . 1 1 48 48 ARG N N 48 120.563 120.563 120.816 -0.253 25573 7084 1 13 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.459 -0.106 25573 7085 1 13 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.340 -4.001 25573 7086 1 13 . 1 1 48 48 ARG CB C 48 29.760 29.760 31.629 -1.869 25573 7087 1 13 . 1 1 48 48 ARG H H 48 8.220 8.220 8.239 -0.019 25573 7088 1 13 . 1 1 49 49 GLU N N 49 122.874 122.874 122.293 0.581 25573 7089 1 13 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.099 0.223 25573 7090 1 13 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.895 -2.761 25573 7091 1 13 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.933 -0.829 25573 7092 1 13 . 1 1 49 49 GLU H H 49 8.661 8.661 8.478 0.183 25573 7093 1 13 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.400 1.494 25573 7094 1 13 . 1 1 51 51 GLY N N 51 102.859 102.859 108.260 -5.401 25573 7095 1 13 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.728 -3.651 25573 7096 1 13 . 1 1 51 51 GLY H H 51 8.368 8.368 8.317 0.051 25573 7097 1 13 . 1 1 52 52 ASP N N 52 120.491 120.491 119.687 0.804 25573 7098 1 13 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.642 -0.262 25573 7099 1 13 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.253 -1.572 25573 7100 1 13 . 1 1 52 52 ASP CB C 52 37.801 37.801 43.074 -5.273 25573 7101 1 13 . 1 1 52 52 ASP H H 52 7.204 7.204 7.941 -0.737 25573 7102 1 13 . 1 1 53 53 ILE N N 53 127.662 127.662 117.804 9.858 25573 7103 1 13 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.146 0.384 25573 7104 1 13 . 1 1 53 53 ILE CA C 53 54.127 54.127 60.592 -6.465 25573 7105 1 13 . 1 1 53 53 ILE CB C 53 35.495 35.495 37.095 -1.600 25573 7106 1 13 . 1 1 53 53 ILE H H 53 8.255 8.255 7.798 0.457 25573 7107 1 13 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.448 0.038 25573 7108 1 13 . 1 1 54 54 PRO CA C 54 60.119 60.119 63.222 -3.103 25573 7109 1 13 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.501 -3.706 25573 7110 1 13 . 1 1 55 55 GLU N N 55 117.116 117.116 115.218 1.898 25573 7111 1 13 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.477 0.029 25573 7112 1 13 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.258 -1.976 25573 7113 1 13 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.995 -0.313 25573 7114 1 13 . 1 1 55 55 GLU H H 55 8.580 8.580 8.316 0.264 25573 7115 1 13 . 1 1 56 56 THR N N 56 105.122 105.122 115.956 -10.834 25573 7116 1 13 . 1 1 56 56 THR HA H 56 4.832 4.832 4.457 0.375 25573 7117 1 13 . 1 1 56 56 THR CA C 56 55.381 55.381 61.234 -5.853 25573 7118 1 13 . 1 1 56 56 THR CB C 56 70.771 70.771 70.007 0.765 25573 7119 1 13 . 1 1 56 56 THR H H 56 7.367 7.367 7.817 -0.450 25573 7120 1 13 . 1 1 57 57 LEU N N 57 122.564 122.564 129.018 -6.454 25573 7121 1 13 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.261 0.171 25573 7122 1 13 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.211 -1.802 25573 7123 1 13 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.460 -4.599 25573 7124 1 13 . 1 1 57 57 LEU H H 57 9.222 9.222 8.743 0.479 25573 7125 1 13 . 1 1 58 58 ASP N N 58 119.366 119.366 119.809 -0.443 25573 7126 1 13 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.788 0.492 25573 7127 1 13 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.866 -3.509 25573 7128 1 13 . 1 1 58 58 ASP H H 58 8.570 8.570 8.201 0.369 25573 7129 1 13 . 1 1 59 59 GLN N N 59 118.241 118.241 119.707 -1.466 25573 7130 1 13 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.065 -0.033 25573 7131 1 13 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.929 -3.013 25573 7132 1 13 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.762 -2.688 25573 7133 1 13 . 1 1 59 59 GLN H H 59 7.823 7.823 7.641 0.182 25573 7134 1 13 . 1 1 60 60 LEU N N 60 121.691 121.691 121.067 0.624 25573 7135 1 13 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.914 0.165 25573 7136 1 13 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.636 -3.365 25573 7137 1 13 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.821 5.816 25573 7138 1 13 . 1 1 60 60 LEU H H 60 8.187 8.187 7.930 0.257 25573 7139 1 13 . 1 1 61 61 ARG N N 61 117.960 117.960 119.235 -1.275 25573 7140 1 13 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.040 0.026 25573 7141 1 13 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.693 -3.511 25573 7142 1 13 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.159 -1.243 25573 7143 1 13 . 1 1 61 61 ARG H H 61 9.133 9.133 7.984 1.149 25573 7144 1 13 . 1 1 62 62 LEU N N 62 118.408 118.408 120.800 -2.392 25573 7145 1 13 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.200 -0.174 25573 7146 1 13 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.608 -1.528 25573 7147 1 13 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.343 -2.979 25573 7148 1 13 . 1 1 62 62 LEU H H 62 7.817 7.817 7.817 -0.000 25573 7149 1 13 . 1 1 63 63 VAL N N 63 119.177 119.177 119.823 -0.646 25573 7150 1 13 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.610 -0.073 25573 7151 1 13 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.197 -2.696 25573 7152 1 13 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.132 -2.248 25573 7153 1 13 . 1 1 63 63 VAL H H 63 7.368 7.368 8.480 -1.112 25573 7154 1 13 . 1 1 64 64 ILE N N 64 119.068 119.068 120.953 -1.885 25573 7155 1 13 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.700 -0.160 25573 7156 1 13 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.806 -1.325 25573 7157 1 13 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.733 -3.021 25573 7158 1 13 . 1 1 64 64 ILE H H 64 8.320 8.320 8.173 0.147 25573 7159 1 13 . 1 1 65 65 CYS N N 65 119.131 119.131 118.823 0.308 25573 7160 1 13 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.157 0.173 25573 7161 1 13 . 1 1 65 65 CYS CA C 65 60.908 60.908 63.062 -2.154 25573 7162 1 13 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.661 -2.769 25573 7163 1 13 . 1 1 65 65 CYS H H 65 9.076 9.076 7.945 1.131 25573 7164 1 13 . 1 1 66 66 ASP N N 66 120.537 120.537 120.856 -0.319 25573 7165 1 13 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.416 -0.104 25573 7166 1 13 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.570 0.194 25573 7167 1 13 . 1 1 66 66 ASP CB C 66 38.185 38.185 41.010 -2.825 25573 7168 1 13 . 1 1 66 66 ASP H H 66 8.512 8.512 8.250 0.262 25573 7169 1 13 . 1 1 67 67 LEU N N 67 119.364 119.364 120.980 -1.616 25573 7170 1 13 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.915 0.055 25573 7171 1 13 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.232 -1.246 25573 7172 1 13 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.964 -9.218 25573 7173 1 13 . 1 1 67 67 LEU H H 67 8.971 8.971 8.257 0.714 25573 7174 1 13 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.008 0.421 25573 7175 1 13 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.712 -3.947 25573 7176 1 13 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.495 0.306 25573 7177 1 13 . 1 1 70 70 ARG N N 70 122.186 122.186 119.213 2.973 25573 7178 1 13 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.087 0.399 25573 7179 1 13 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.542 -7.009 25573 7180 1 13 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.329 0.012 25573 7181 1 13 . 1 1 70 70 ARG H H 70 8.345 8.345 7.877 0.468 25573 7182 1 13 . 1 1 71 71 ARG N N 71 121.616 121.616 118.953 2.663 25573 7183 1 13 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.118 -1.494 25573 7184 1 13 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.936 -4.757 25573 7185 1 13 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.630 0.377 25573 7186 1 13 . 1 1 71 71 ARG H H 71 8.480 8.480 8.718 -0.238 25573 7187 1 13 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.030 0.042 25573 7188 1 13 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.950 -2.974 25573 7189 1 13 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.441 -1.689 25573 7190 1 13 . 1 1 74 74 PHE N N 74 115.001 115.001 117.181 -2.180 25573 7191 1 13 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.350 0.472 25573 7192 1 13 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.173 -4.052 25573 7193 1 13 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.477 -2.890 25573 7194 1 13 . 1 1 74 74 PHE H H 74 8.530 8.530 7.748 0.782 25573 7195 1 13 . 1 1 75 75 GLY N N 75 110.366 110.366 105.516 4.850 25573 7196 1 13 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.510 -2.506 25573 7197 1 13 . 1 1 75 75 GLY H H 75 7.799 7.799 7.604 0.195 25573 7198 1 13 . 1 1 76 76 SER N N 76 113.283 113.283 115.238 -1.955 25573 7199 1 13 . 1 1 76 76 SER HA H 76 4.523 4.523 4.766 -0.243 25573 7200 1 13 . 1 1 76 76 SER CA C 76 54.361 54.361 57.983 -3.622 25573 7201 1 13 . 1 1 76 76 SER CB C 76 61.887 61.887 63.983 -2.096 25573 7202 1 13 . 1 1 76 76 SER H H 76 8.417 8.417 8.456 -0.039 25573 7203 1 13 . 1 1 77 77 SER N N 77 114.950 114.950 118.822 -3.872 25573 7204 1 13 . 1 1 77 77 SER HA H 77 4.535 4.535 4.778 -0.243 25573 7205 1 13 . 1 1 77 77 SER CA C 77 53.833 53.833 56.777 -2.944 25573 7206 1 13 . 1 1 77 77 SER CB C 77 63.488 63.488 65.585 -2.097 25573 7207 1 13 . 1 1 77 77 SER H H 77 8.428 8.428 8.190 0.238 25573 7208 1 13 . 1 1 78 78 LYS N N 78 122.032 122.032 125.796 -3.764 25573 7209 1 13 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.022 0.653 25573 7210 1 13 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.675 -5.548 25573 7211 1 13 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.344 -3.109 25573 7212 1 13 . 1 1 78 78 LYS H H 78 9.044 9.044 8.999 0.045 25573 7213 1 13 . 1 1 79 79 GLU N N 79 118.232 118.232 119.332 -1.100 25573 7214 1 13 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.236 0.056 25573 7215 1 13 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.812 -1.708 25573 7216 1 13 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.601 -2.755 25573 7217 1 13 . 1 1 79 79 GLU H H 79 8.795 8.795 7.875 0.920 25573 7218 1 13 . 1 1 80 80 ILE N N 80 120.491 120.491 120.447 0.044 25573 7219 1 13 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.846 -0.117 25573 7220 1 13 . 1 1 80 80 ILE CA C 80 62.466 62.466 63.630 -1.165 25573 7221 1 13 . 1 1 80 80 ILE CB C 80 36.109 36.109 36.903 -0.793 25573 7222 1 13 . 1 1 80 80 ILE H H 80 7.892 7.892 7.847 0.045 25573 7223 1 13 . 1 1 81 81 ASP N N 81 120.491 120.491 120.745 -0.254 25573 7224 1 13 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.397 -0.091 25573 7225 1 13 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.492 -2.118 25573 7226 1 13 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.442 -3.066 25573 7227 1 13 . 1 1 81 81 ASP H H 81 8.424 8.424 8.606 -0.182 25573 7228 1 13 . 1 1 82 82 MET N N 82 118.588 118.588 118.564 0.024 25573 7229 1 13 . 1 1 82 82 MET HA H 82 4.610 4.610 4.232 0.378 25573 7230 1 13 . 1 1 82 82 MET CA C 82 54.472 54.472 59.394 -4.922 25573 7231 1 13 . 1 1 82 82 MET CB C 82 29.557 29.557 32.707 -3.150 25573 7232 1 13 . 1 1 82 82 MET H H 82 8.215 8.215 8.191 0.024 25573 7233 1 13 . 1 1 83 83 ALA N N 83 127.525 127.525 123.064 4.461 25573 7234 1 13 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.162 -0.063 25573 7235 1 13 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.094 -1.186 25573 7236 1 13 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.197 -3.386 25573 7237 1 13 . 1 1 83 83 ALA H H 83 10.165 10.165 7.901 2.264 25573 7238 1 13 . 1 1 84 84 ILE N N 84 115.968 115.968 118.312 -2.344 25573 7239 1 13 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.661 -0.127 25573 7240 1 13 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.332 -0.955 25573 7241 1 13 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.917 -2.500 25573 7242 1 13 . 1 1 84 84 ILE H H 84 8.437 8.437 7.796 0.641 25573 7243 1 13 . 1 1 85 85 VAL N N 85 117.106 117.106 119.903 -2.797 25573 7244 1 13 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.682 0.363 25573 7245 1 13 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.594 -10.669 25573 7246 1 13 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.768 -1.583 25573 7247 1 13 . 1 1 85 85 VAL H H 85 7.835 7.835 7.850 -0.015 25573 7248 1 13 . 1 1 86 86 THR N N 86 116.673 116.673 114.828 1.845 25573 7249 1 13 . 1 1 86 86 THR HA H 86 4.181 4.181 4.062 0.119 25573 7250 1 13 . 1 1 86 86 THR CA C 86 59.627 59.627 66.766 -7.139 25573 7251 1 13 . 1 1 86 86 THR CB C 86 65.856 65.856 68.856 -3.001 25573 7252 1 13 . 1 1 86 86 THR H H 86 8.254 8.254 8.619 -0.365 25573 7253 1 13 . 1 1 87 87 LEU N N 87 121.447 121.447 121.379 0.068 25573 7254 1 13 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.129 0.453 25573 7255 1 13 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.351 -0.495 25573 7256 1 13 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.560 -9.735 25573 7257 1 13 . 1 1 87 87 LEU H H 87 7.913 7.913 7.906 0.007 25573 7258 1 13 . 1 1 88 88 LYS N N 88 119.505 119.505 120.344 -0.839 25573 7259 1 13 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.772 0.369 25573 7260 1 13 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.525 -3.455 25573 7261 1 13 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.550 -2.663 25573 7262 1 13 . 1 1 88 88 LYS H H 88 7.970 7.970 7.611 0.359 25573 7263 1 13 . 1 1 89 89 VAL N N 89 119.366 119.366 117.027 2.339 25573 7264 1 13 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.650 0.170 25573 7265 1 13 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.411 -9.455 25573 7266 1 13 . 1 1 89 89 VAL H H 89 8.082 8.082 8.486 -0.404 25573 7267 1 13 . 1 1 90 90 PHE N N 90 119.366 119.366 120.830 -1.464 25573 7268 1 13 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.081 0.343 25573 7269 1 13 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.684 -3.533 25573 7270 1 13 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.145 -2.515 25573 7271 1 13 . 1 1 90 90 PHE H H 90 8.104 8.104 8.010 0.094 25573 7272 1 13 . 1 1 91 91 ALA N N 91 118.916 118.916 122.367 -3.451 25573 7273 1 13 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.633 0.883 25573 7274 1 13 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.882 -0.470 25573 7275 1 13 . 1 1 91 91 ALA CB C 91 15.890 15.890 17.989 -2.099 25573 7276 1 13 . 1 1 91 91 ALA H H 91 8.187 8.187 7.066 1.121 25573 7277 1 13 . 1 1 92 92 VAL N N 92 113.741 113.741 118.315 -4.574 25573 7278 1 13 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.604 -0.017 25573 7279 1 13 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.716 -3.137 25573 7280 1 13 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.482 -0.690 25573 7281 1 13 . 1 1 92 92 VAL H H 92 8.196 8.196 7.911 0.285 25573 7282 1 13 . 1 1 93 93 ALA N N 93 119.366 119.366 120.359 -0.993 25573 7283 1 13 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.255 0.439 25573 7284 1 13 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.467 -4.186 25573 7285 1 13 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.212 -1.497 25573 7286 1 13 . 1 1 93 93 ALA H H 93 8.564 8.564 7.873 0.691 25573 7287 1 13 . 1 1 94 94 GLY N N 94 104.958 104.958 107.538 -2.580 25573 7288 1 13 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.950 -2.026 25573 7289 1 13 . 1 1 94 94 GLY H H 94 6.940 6.940 7.329 -0.389 25573 7290 1 13 . 1 1 95 95 LEU N N 95 120.679 120.679 121.408 -0.729 25573 7291 1 13 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.080 -0.075 25573 7292 1 13 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.220 -2.816 25573 7293 1 13 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.146 -2.921 25573 7294 1 13 . 1 1 95 95 LEU H H 95 7.724 7.724 7.856 -0.132 25573 7295 1 13 . 1 1 96 96 LEU N N 96 115.261 115.261 117.274 -2.013 25573 7296 1 13 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.358 -0.083 25573 7297 1 13 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.719 -2.449 25573 7298 1 13 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.432 -2.746 25573 7299 1 13 . 1 1 96 96 LEU H H 96 7.723 7.723 7.726 -0.003 25573 7300 1 13 . 1 1 97 97 ASN N N 97 112.672 112.672 113.963 -1.291 25573 7301 1 13 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.449 -0.208 25573 7302 1 13 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.355 -3.155 25573 7303 1 13 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.607 -2.162 25573 7304 1 13 . 1 1 97 97 ASN H H 97 6.694 6.694 7.380 -0.686 25573 7305 1 13 . 1 1 98 98 MET N N 98 115.968 115.968 117.857 -1.889 25573 7306 1 13 . 1 1 98 98 MET HA H 98 4.614 4.614 4.396 0.218 25573 7307 1 13 . 1 1 98 98 MET CA C 98 51.685 51.685 56.767 -5.082 25573 7308 1 13 . 1 1 98 98 MET CB C 98 29.808 29.808 33.074 -3.266 25573 7309 1 13 . 1 1 98 98 MET H H 98 8.168 8.168 7.676 0.492 25573 7310 1 13 . 1 1 99 99 THR N N 99 118.683 118.683 116.481 2.202 25573 7311 1 13 . 1 1 99 99 THR HA H 99 4.184 4.184 4.442 -0.258 25573 7312 1 13 . 1 1 99 99 THR CA C 99 59.813 59.813 61.332 -1.519 25573 7313 1 13 . 1 1 99 99 THR CB C 99 65.438 65.438 68.341 -2.903 25573 7314 1 13 . 1 1 99 99 THR H H 99 8.562 8.562 8.350 0.212 25573 7315 1 13 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.128 -0.009 25573 7316 1 13 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.260 -5.558 25573 7317 1 13 . 1 1 100 100 VAL H H 100 8.392 8.392 7.664 0.728 25573 7318 1 13 . 1 1 101 101 SER N N 101 121.736 121.736 120.545 1.191 25573 7319 1 13 . 1 1 101 101 SER HA H 101 4.645 4.645 4.896 -0.251 25573 7320 1 13 . 1 1 101 101 SER CA C 101 56.852 56.852 58.300 -1.448 25573 7321 1 13 . 1 1 101 101 SER CB C 101 61.739 61.739 63.427 -1.688 25573 7322 1 13 . 1 1 101 101 SER H H 101 8.079 8.079 8.801 -0.722 25573 7323 1 13 . 1 1 102 102 THR N N 102 110.147 110.147 109.851 0.296 25573 7324 1 13 . 1 1 102 102 THR HA H 102 5.450 5.450 4.922 0.528 25573 7325 1 13 . 1 1 102 102 THR CA C 102 56.522 56.522 59.949 -3.427 25573 7326 1 13 . 1 1 102 102 THR CB C 102 71.007 71.007 71.473 -0.466 25573 7327 1 13 . 1 1 102 102 THR H H 102 7.276 7.276 7.349 -0.073 25573 7328 1 13 . 1 1 103 103 ALA N N 103 124.013 124.013 127.805 -3.792 25573 7329 1 13 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.002 -0.048 25573 7330 1 13 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.531 -3.253 25573 7331 1 13 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.652 -2.968 25573 7332 1 13 . 1 1 103 103 ALA H H 103 8.433 8.433 8.509 -0.076 25573 7333 1 13 . 1 1 104 104 ALA N N 104 119.649 119.649 120.441 -0.792 25573 7334 1 13 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.009 0.277 25573 7335 1 13 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.516 -2.214 25573 7336 1 13 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.201 -1.681 25573 7337 1 13 . 1 1 104 104 ALA H H 104 8.474 8.474 8.247 0.227 25573 7338 1 13 . 1 1 105 105 ALA N N 105 120.587 120.587 120.896 -0.309 25573 7339 1 13 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.056 0.208 25573 7340 1 13 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.777 -2.579 25573 7341 1 13 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.295 -2.550 25573 7342 1 13 . 1 1 105 105 ALA H H 105 8.050 8.050 7.716 0.334 25573 7343 1 13 . 1 1 106 106 ALA N N 106 121.752 121.752 121.461 0.291 25573 7344 1 13 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.931 -0.664 25573 7345 1 13 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.422 -3.911 25573 7346 1 13 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.140 -2.092 25573 7347 1 13 . 1 1 106 106 ALA H H 106 8.071 8.071 7.876 0.195 25573 7348 1 13 . 1 1 107 107 GLU N N 107 119.133 119.133 119.791 -0.658 25573 7349 1 13 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.034 -0.175 25573 7350 1 13 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.568 -2.233 25573 7351 1 13 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.741 -2.632 25573 7352 1 13 . 1 1 107 107 GLU H H 107 8.711 8.711 7.980 0.731 25573 7353 1 13 . 1 1 108 108 ASN N N 108 118.306 118.306 119.001 -0.695 25573 7354 1 13 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.471 0.130 25573 7355 1 13 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.449 -2.478 25573 7356 1 13 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.614 -3.162 25573 7357 1 13 . 1 1 108 108 ASN H H 108 8.045 8.045 8.257 -0.212 25573 7358 1 13 . 1 1 109 109 MET N N 109 120.038 120.038 119.811 0.227 25573 7359 1 13 . 1 1 109 109 MET HA H 109 4.305 4.305 4.219 0.086 25573 7360 1 13 . 1 1 109 109 MET CA C 109 55.602 55.602 58.579 -2.977 25573 7361 1 13 . 1 1 109 109 MET CB C 109 29.771 29.771 32.686 -2.915 25573 7362 1 13 . 1 1 109 109 MET H H 109 8.401 8.401 8.060 0.341 25573 7363 1 13 . 1 1 110 110 TYR N N 110 121.616 121.616 119.928 1.688 25573 7364 1 13 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.090 -0.427 25573 7365 1 13 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.738 -2.813 25573 7366 1 13 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.310 -2.384 25573 7367 1 13 . 1 1 110 110 TYR H H 110 8.651 8.651 8.815 -0.164 25573 7368 1 13 . 1 1 111 111 SER N N 111 110.621 110.621 114.763 -4.142 25573 7369 1 13 . 1 1 111 111 SER HA H 111 4.540 4.540 4.079 0.461 25573 7370 1 13 . 1 1 111 111 SER CA C 111 58.395 58.395 60.572 -2.177 25573 7371 1 13 . 1 1 111 111 SER CB C 111 60.600 60.600 63.183 -2.583 25573 7372 1 13 . 1 1 111 111 SER H H 111 7.394 7.394 8.349 -0.955 25573 7373 1 13 . 1 1 112 112 GLN N N 112 125.643 125.643 121.115 4.528 25573 7374 1 13 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.056 0.003 25573 7375 1 13 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.246 -2.163 25573 7376 1 13 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.512 -2.868 25573 7377 1 13 . 1 1 112 112 GLN H H 112 8.774 8.774 7.878 0.896 25573 7378 1 13 . 1 1 113 113 MET N N 113 114.866 114.866 115.855 -0.989 25573 7379 1 13 . 1 1 113 113 MET HA H 113 4.275 4.275 4.408 -0.133 25573 7380 1 13 . 1 1 113 113 MET CA C 113 53.246 53.246 55.751 -2.505 25573 7381 1 13 . 1 1 113 113 MET CB C 113 31.365 31.365 33.561 -2.196 25573 7382 1 13 . 1 1 113 113 MET H H 113 8.070 8.070 7.995 0.075 25573 7383 1 13 . 1 1 114 114 GLY N N 114 107.252 107.252 106.268 0.984 25573 7384 1 13 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.149 -2.189 25573 7385 1 13 . 1 1 114 114 GLY H H 114 8.012 8.012 7.738 0.274 25573 7386 1 13 . 1 1 115 115 LEU N N 115 114.939 114.939 118.498 -3.559 25573 7387 1 13 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.205 -0.330 25573 7388 1 13 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.908 -1.699 25573 7389 1 13 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.740 -6.282 25573 7390 1 13 . 1 1 115 115 LEU H H 115 7.447 7.447 7.965 -0.518 25573 7391 1 13 . 1 1 116 116 ASP N N 116 116.423 116.423 118.593 -2.170 25573 7392 1 13 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.557 0.113 25573 7393 1 13 . 1 1 116 116 ASP CA C 116 52.303 52.303 57.064 -4.761 25573 7394 1 13 . 1 1 116 116 ASP CB C 116 37.319 37.319 41.582 -4.263 25573 7395 1 13 . 1 1 116 116 ASP H H 116 8.518 8.518 7.832 0.686 25573 7396 1 13 . 1 1 117 117 THR N N 117 113.582 113.582 109.246 4.336 25573 7397 1 13 . 1 1 117 117 THR HA H 117 4.194 4.194 3.989 0.205 25573 7398 1 13 . 1 1 117 117 THR CA C 117 58.925 58.925 63.639 -4.714 25573 7399 1 13 . 1 1 117 117 THR CB C 117 67.320 67.320 67.869 -0.549 25573 7400 1 13 . 1 1 117 117 THR H H 117 7.240 7.240 8.364 -1.124 25573 7401 1 13 . 1 1 118 118 ARG N N 118 126.068 126.068 120.773 5.295 25573 7402 1 13 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.774 -0.208 25573 7403 1 13 . 1 1 118 118 ARG CA C 118 52.343 52.343 53.309 -0.966 25573 7404 1 13 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.667 2.041 25573 7405 1 13 . 1 1 118 118 ARG H H 118 8.711 8.711 8.095 0.616 25573 7406 1 13 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.600 -2.522 25573 7407 1 13 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.633 -2.590 25573 7408 1 13 . 1 1 120 120 SER N N 120 116.251 116.251 116.037 0.214 25573 7409 1 13 . 1 1 120 120 SER HA H 120 4.385 4.385 4.617 -0.232 25573 7410 1 13 . 1 1 120 120 SER CA C 120 55.352 55.352 57.319 -1.967 25573 7411 1 13 . 1 1 120 120 SER CB C 120 61.037 61.037 64.660 -3.623 25573 7412 1 13 . 1 1 120 120 SER H H 120 8.385 8.385 8.417 -0.032 25573 7413 1 13 . 1 1 121 121 MET N N 121 123.171 123.171 123.240 -0.069 25573 7414 1 13 . 1 1 121 121 MET HA H 121 4.289 4.289 4.515 -0.226 25573 7415 1 13 . 1 1 121 121 MET CA C 121 53.282 53.282 55.307 -2.025 25573 7416 1 13 . 1 1 121 121 MET CB C 121 30.755 30.755 32.108 -1.353 25573 7417 1 13 . 1 1 121 121 MET H H 121 8.297 8.297 8.744 -0.447 25573 7418 1 13 . 1 1 122 122 LYS HA H 122 4.258 4.258 3.958 0.300 25573 7419 1 13 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.247 -3.578 25573 7420 1 13 . 1 1 123 123 GLU N N 123 122.135 122.135 119.061 3.074 25573 7421 1 13 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.925 -9.022 25573 7422 1 13 . 1 1 123 123 GLU CB C 123 30.404 30.404 28.951 1.453 25573 7423 1 13 . 1 1 123 123 GLU H H 123 8.505 8.505 8.313 0.192 25573 7424 1 13 . 1 1 124 124 ALA N N 124 125.340 125.340 124.768 0.572 25573 7425 1 13 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.647 -0.316 25573 7426 1 13 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.579 -1.746 25573 7427 1 13 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.877 -4.212 25573 7428 1 13 . 1 1 124 124 ALA H H 124 8.422 8.422 7.948 0.474 25573 7429 1 13 . 1 1 125 125 GLY N N 125 108.426 108.426 107.537 0.889 25573 7430 1 13 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.623 -1.882 25573 7431 1 13 . 1 1 125 125 GLY H H 125 8.401 8.401 10.076 -1.675 25573 7432 1 13 . 1 1 126 126 GLY N N 126 109.792 109.792 107.621 2.171 25573 7433 1 13 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.866 -2.619 25573 7434 1 13 . 1 1 126 126 GLY H H 126 8.515 8.515 8.115 0.400 25573 7435 1 13 . 1 1 127 127 LYS N N 127 120.366 120.366 120.688 -0.322 25573 7436 1 13 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.753 -0.432 25573 7437 1 13 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.102 -2.558 25573 7438 1 13 . 1 1 127 127 LYS CB C 127 30.352 30.352 31.909 -1.557 25573 7439 1 13 . 1 1 127 127 LYS H H 127 8.244 8.244 8.281 -0.037 25573 7440 1 13 . 1 1 128 128 GLU N N 128 122.270 122.270 120.550 1.720 25573 7441 1 13 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.542 -0.498 25573 7442 1 13 . 1 1 128 128 GLU H H 128 8.559 8.559 8.167 0.392 25573 7443 1 13 . 1 1 129 129 GLU N N 129 122.282 122.282 122.614 -0.332 25573 7444 1 13 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.814 -0.278 25573 7445 1 13 . 1 1 129 129 GLU CB C 129 30.189 30.189 29.651 0.538 25573 7446 1 13 . 1 1 129 129 GLU H H 129 8.027 8.027 8.611 -0.584 25573 7447 1 13 . 1 1 130 130 GLY N N 130 110.258 110.258 113.260 -3.002 25573 7448 1 13 . 1 1 130 130 GLY CA C 130 41.661 41.661 43.916 -2.255 25573 7449 1 13 . 1 1 130 130 GLY H H 130 10.190 10.190 8.308 1.882 25573 7450 1 13 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.337 0.042 25573 7451 1 13 . 1 1 132 132 PRO CA C 132 60.469 60.469 64.232 -3.763 25573 7452 1 13 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.091 -2.860 25573 7453 1 13 . 1 1 133 133 GLN N N 133 119.932 119.932 119.555 0.377 25573 7454 1 13 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.280 0.039 25573 7455 1 13 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.848 -2.599 25573 7456 1 13 . 1 1 133 133 GLN CB C 133 29.655 29.655 29.325 0.330 25573 7457 1 13 . 1 1 133 133 GLN H H 133 8.478 8.478 7.951 0.527 25573 7458 1 13 . 1 1 134 134 ALA N N 134 124.828 124.828 124.915 -0.087 25573 7459 1 13 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.323 -0.074 25573 7460 1 13 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.928 -3.236 25573 7461 1 13 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.056 -3.032 25573 7462 1 13 . 1 1 134 134 ALA H H 134 8.263 8.263 8.344 -0.081 25573 7463 1 14 . 1 1 3 3 ASN N N 3 119.366 119.366 120.788 -1.422 25573 7464 1 14 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.449 0.134 25573 7465 1 14 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.203 -1.812 25573 7466 1 14 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.525 -2.813 25573 7467 1 14 . 1 1 3 3 ASN H H 3 8.596 8.596 8.653 -0.057 25573 7468 1 14 . 1 1 4 4 GLY N N 4 112.829 112.829 105.160 7.669 25573 7469 1 14 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.348 -1.646 25573 7470 1 14 . 1 1 4 4 GLY H H 4 8.073 8.073 7.945 0.128 25573 7471 1 14 . 1 1 5 5 ALA N N 5 123.630 123.630 122.788 0.842 25573 7472 1 14 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.768 -0.365 25573 7473 1 14 . 1 1 5 5 ALA CA C 5 49.640 49.640 51.919 -2.279 25573 7474 1 14 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.415 -3.001 25573 7475 1 14 . 1 1 5 5 ALA H H 5 8.008 8.008 8.257 -0.249 25573 7476 1 14 . 1 1 6 6 SER N N 6 114.866 114.866 119.230 -4.364 25573 7477 1 14 . 1 1 6 6 SER HA H 6 4.270 4.270 4.509 -0.239 25573 7478 1 14 . 1 1 6 6 SER CA C 6 56.023 56.023 59.271 -3.248 25573 7479 1 14 . 1 1 6 6 SER CB C 6 60.936 60.936 64.060 -3.124 25573 7480 1 14 . 1 1 6 6 SER H H 6 8.293 8.293 8.863 -0.570 25573 7481 1 14 . 1 1 7 7 ARG N N 7 119.250 119.250 124.150 -4.900 25573 7482 1 14 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.550 -0.044 25573 7483 1 14 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.174 0.248 25573 7484 1 14 . 1 1 7 7 ARG H H 7 8.305 8.305 8.463 -0.158 25573 7485 1 14 . 1 1 8 8 ASP N N 8 119.662 119.662 119.668 -0.006 25573 7486 1 14 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.418 -0.265 25573 7487 1 14 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.056 -1.502 25573 7488 1 14 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.252 -13.751 25573 7489 1 14 . 1 1 8 8 ASP H H 8 7.915 7.915 8.733 -0.818 25573 7490 1 14 . 1 1 9 9 TRP N N 9 121.861 121.861 121.227 0.634 25573 7491 1 14 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.511 -0.395 25573 7492 1 14 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.906 -3.944 25573 7493 1 14 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.880 -1.858 25573 7494 1 14 . 1 1 9 9 TRP H H 9 8.222 8.222 8.016 0.206 25573 7495 1 14 . 1 1 10 10 LYS N N 10 118.681 118.681 118.567 0.114 25573 7496 1 14 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.916 0.366 25573 7497 1 14 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.772 -0.873 25573 7498 1 14 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.144 -4.105 25573 7499 1 14 . 1 1 10 10 LYS H H 10 8.003 8.003 8.167 -0.164 25573 7500 1 14 . 1 1 11 11 MET N N 11 119.366 119.366 119.244 0.122 25573 7501 1 14 . 1 1 11 11 MET HA H 11 4.559 4.559 4.194 0.365 25573 7502 1 14 . 1 1 11 11 MET CA C 11 53.485 53.485 57.712 -4.227 25573 7503 1 14 . 1 1 11 11 MET H H 11 8.041 8.041 8.617 -0.576 25573 7504 1 14 . 1 1 12 12 ALA N N 12 122.650 122.650 122.152 0.498 25573 7505 1 14 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.024 0.185 25573 7506 1 14 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.829 4.970 25573 7507 1 14 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.112 -0.340 25573 7508 1 14 . 1 1 12 12 ALA H H 12 7.904 7.904 7.751 0.153 25573 7509 1 14 . 1 1 13 13 ILE N N 13 117.322 117.322 118.070 -0.748 25573 7510 1 14 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.107 1.471 25573 7511 1 14 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.597 -7.694 25573 7512 1 14 . 1 1 13 13 ILE H H 13 8.380 8.380 7.805 0.575 25573 7513 1 14 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.324 1.592 25573 7514 1 14 . 1 1 16 16 CYS N N 16 116.263 116.263 121.066 -4.803 25573 7515 1 14 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.227 -0.182 25573 7516 1 14 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.208 -1.424 25573 7517 1 14 . 1 1 16 16 CYS CB C 16 28.810 28.810 25.884 2.926 25573 7518 1 14 . 1 1 16 16 CYS H H 16 7.799 7.799 8.002 -0.203 25573 7519 1 14 . 1 1 17 17 SER N N 17 114.606 114.606 116.799 -2.193 25573 7520 1 14 . 1 1 17 17 SER HA H 17 4.952 4.952 4.400 0.552 25573 7521 1 14 . 1 1 17 17 SER CA C 17 58.171 58.171 61.927 -3.756 25573 7522 1 14 . 1 1 17 17 SER CB C 17 60.740 60.740 62.777 -2.037 25573 7523 1 14 . 1 1 17 17 SER H H 17 7.830 7.830 8.568 -0.738 25573 7524 1 14 . 1 1 18 18 ASN N N 18 116.143 116.143 118.486 -2.343 25573 7525 1 14 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.558 0.450 25573 7526 1 14 . 1 1 18 18 ASN CA C 18 50.475 50.475 54.760 -4.285 25573 7527 1 14 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.643 -1.354 25573 7528 1 14 . 1 1 18 18 ASN H H 18 7.557 7.557 7.645 -0.088 25573 7529 1 14 . 1 1 19 19 VAL N N 19 121.616 121.616 116.540 5.076 25573 7530 1 14 . 1 1 19 19 VAL HA H 19 3.499 3.499 3.973 -0.474 25573 7531 1 14 . 1 1 19 19 VAL CA C 19 59.730 59.730 62.801 -3.071 25573 7532 1 14 . 1 1 19 19 VAL CB C 19 29.042 29.042 31.773 -2.731 25573 7533 1 14 . 1 1 19 19 VAL H H 19 7.919 7.919 7.756 0.163 25573 7534 1 14 . 1 1 20 20 ALA N N 20 129.139 129.139 128.058 1.081 25573 7535 1 14 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.858 -0.063 25573 7536 1 14 . 1 1 20 20 ALA C C 20 169.500 169.500 177.897 -8.397 25573 7537 1 14 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.061 -0.646 25573 7538 1 14 . 1 1 20 20 ALA CB C 20 17.716 17.716 22.370 -4.654 25573 7539 1 14 . 1 1 20 20 ALA H H 20 8.150 8.150 7.925 0.225 25573 7540 1 14 . 1 1 21 21 VAL N N 21 120.390 120.390 119.803 0.587 25573 7541 1 14 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.704 0.063 25573 7542 1 14 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.858 -1.280 25573 7543 1 14 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.235 -1.489 25573 7544 1 14 . 1 1 21 21 VAL H H 21 8.319 8.319 8.392 -0.073 25573 7545 1 14 . 1 1 22 22 GLY N N 22 108.884 108.884 105.153 3.731 25573 7546 1 14 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.284 -2.316 25573 7547 1 14 . 1 1 22 22 GLY H H 22 8.221 8.221 7.501 0.720 25573 7548 1 14 . 1 1 23 23 VAL N N 23 117.439 117.439 119.200 -1.761 25573 7549 1 14 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.927 0.311 25573 7550 1 14 . 1 1 23 23 VAL CA C 23 59.088 59.088 64.280 -5.192 25573 7551 1 14 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.164 -1.730 25573 7552 1 14 . 1 1 23 23 VAL H H 23 8.003 8.003 8.407 -0.404 25573 7553 1 14 . 1 1 24 24 GLY N N 24 112.616 112.616 106.635 5.981 25573 7554 1 14 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.710 -1.931 25573 7555 1 14 . 1 1 24 24 GLY H H 24 8.716 8.716 7.478 1.238 25573 7556 1 14 . 1 1 25 25 GLY N N 25 108.753 108.753 109.955 -1.202 25573 7557 1 14 . 1 1 25 25 GLY CA C 25 42.000 42.000 43.774 -1.774 25573 7558 1 14 . 1 1 25 25 GLY H H 25 8.286 8.286 8.000 0.286 25573 7559 1 14 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.131 0.245 25573 7560 1 14 . 1 1 26 26 LYS CA C 26 53.512 53.512 58.036 -4.524 25573 7561 1 14 . 1 1 27 27 SER HA H 27 4.922 4.922 4.485 0.437 25573 7562 1 14 . 1 1 27 27 SER CA C 27 56.876 56.876 58.335 -1.459 25573 7563 1 14 . 1 1 27 27 SER CB C 27 64.578 64.578 63.422 1.156 25573 7564 1 14 . 1 1 27 27 SER H H 27 7.831 7.831 7.890 -0.059 25573 7565 1 14 . 1 1 28 28 LYS N N 28 122.919 122.919 122.952 -0.033 25573 7566 1 14 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.378 -0.194 25573 7567 1 14 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.354 1.185 25573 7568 1 14 . 1 1 28 28 LYS CB C 28 33.366 33.366 32.162 1.204 25573 7569 1 14 . 1 1 28 28 LYS H H 28 8.589 8.589 8.278 0.311 25573 7570 1 14 . 1 1 29 29 LYS N N 29 120.917 120.917 120.344 0.573 25573 7571 1 14 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.817 -0.434 25573 7572 1 14 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.989 -1.454 25573 7573 1 14 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.548 -2.472 25573 7574 1 14 . 1 1 29 29 LYS H H 29 8.471 8.471 7.506 0.965 25573 7575 1 14 . 1 1 30 30 PHE N N 30 119.366 119.366 121.306 -1.940 25573 7576 1 14 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.447 -0.589 25573 7577 1 14 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.911 0.261 25573 7578 1 14 . 1 1 30 30 PHE CB C 30 38.242 38.242 39.933 -1.691 25573 7579 1 14 . 1 1 30 30 PHE H H 30 8.000 8.000 8.275 -0.275 25573 7580 1 14 . 1 1 31 31 GLY N N 31 106.991 106.991 105.339 1.652 25573 7581 1 14 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.502 -3.566 25573 7582 1 14 . 1 1 31 31 GLY H H 31 8.404 8.404 7.633 0.771 25573 7583 1 14 . 1 1 32 32 GLU N N 32 120.491 120.491 119.342 1.149 25573 7584 1 14 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.143 -0.031 25573 7585 1 14 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.494 -1.323 25573 7586 1 14 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.540 -2.234 25573 7587 1 14 . 1 1 32 32 GLU H H 32 9.168 9.168 8.974 0.194 25573 7588 1 14 . 1 1 33 33 GLY N N 33 109.241 109.241 107.834 1.407 25573 7589 1 14 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.946 -3.355 25573 7590 1 14 . 1 1 33 33 GLY H H 33 8.613 8.613 8.608 0.005 25573 7591 1 14 . 1 1 34 34 ASN N N 34 118.241 118.241 121.198 -2.957 25573 7592 1 14 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.446 -0.408 25573 7593 1 14 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.956 -1.493 25573 7594 1 14 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.131 -1.737 25573 7595 1 14 . 1 1 34 34 ASN H H 34 7.897 7.897 7.411 0.486 25573 7596 1 14 . 1 1 35 35 PHE N N 35 117.116 117.116 119.558 -2.442 25573 7597 1 14 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.106 -0.018 25573 7598 1 14 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.442 -1.130 25573 7599 1 14 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.496 -1.668 25573 7600 1 14 . 1 1 35 35 PHE H H 35 7.180 7.180 7.645 -0.465 25573 7601 1 14 . 1 1 36 36 ARG N N 36 117.825 117.825 119.025 -1.200 25573 7602 1 14 . 1 1 36 36 ARG HA H 36 3.572 3.572 3.976 -0.404 25573 7603 1 14 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.697 -1.455 25573 7604 1 14 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.977 4.020 25573 7605 1 14 . 1 1 36 36 ARG H H 36 8.278 8.278 8.386 -0.108 25573 7606 1 14 . 1 1 37 37 TRP N N 37 118.845 118.845 121.435 -2.590 25573 7607 1 14 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.211 -0.077 25573 7608 1 14 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.361 -2.461 25573 7609 1 14 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.244 -1.795 25573 7610 1 14 . 1 1 37 37 TRP H H 37 8.106 8.106 7.909 0.197 25573 7611 1 14 . 1 1 38 38 ALA N N 38 119.609 119.609 122.372 -2.763 25573 7612 1 14 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.545 0.884 25573 7613 1 14 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.982 -2.088 25573 7614 1 14 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.590 -2.191 25573 7615 1 14 . 1 1 38 38 ALA H H 38 8.332 8.332 7.998 0.334 25573 7616 1 14 . 1 1 39 39 ILE N N 39 114.866 114.866 119.606 -4.740 25573 7617 1 14 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.537 0.827 25573 7618 1 14 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.030 -10.446 25573 7619 1 14 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.700 -6.208 25573 7620 1 14 . 1 1 39 39 ILE H H 39 8.161 8.161 8.541 -0.380 25573 7621 1 14 . 1 1 40 40 ARG N N 40 120.240 120.240 119.465 0.775 25573 7622 1 14 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.877 0.189 25573 7623 1 14 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.583 -2.944 25573 7624 1 14 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.970 -0.161 25573 7625 1 14 . 1 1 40 40 ARG H H 40 8.446 8.446 8.094 0.352 25573 7626 1 14 . 1 1 41 41 MET HA H 41 4.305 4.305 3.909 0.396 25573 7627 1 14 . 1 1 41 41 MET CA C 41 53.585 53.585 58.429 -4.844 25573 7628 1 14 . 1 1 41 41 MET CB C 41 29.902 29.902 31.899 -1.998 25573 7629 1 14 . 1 1 42 42 ALA N N 42 122.782 122.782 121.417 1.365 25573 7630 1 14 . 1 1 42 42 ALA HA H 42 4.548 4.548 4.113 0.435 25573 7631 1 14 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.360 -2.084 25573 7632 1 14 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.485 -1.625 25573 7633 1 14 . 1 1 42 42 ALA H H 42 8.556 8.556 7.852 0.704 25573 7634 1 14 . 1 1 43 43 ASN N N 43 119.366 119.366 116.331 3.035 25573 7635 1 14 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.442 0.252 25573 7636 1 14 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.355 -6.018 25573 7637 1 14 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.857 -3.166 25573 7638 1 14 . 1 1 43 43 ASN H H 43 8.613 8.613 8.347 0.266 25573 7639 1 14 . 1 1 44 44 VAL N N 44 118.466 118.466 118.607 -0.141 25573 7640 1 14 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.994 -0.095 25573 7641 1 14 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.263 -2.169 25573 7642 1 14 . 1 1 44 44 VAL CB C 44 28.921 28.921 32.195 -3.274 25573 7643 1 14 . 1 1 44 44 VAL H H 44 8.464 8.464 7.708 0.756 25573 7644 1 14 . 1 1 45 45 SER N N 45 113.763 113.763 115.830 -2.067 25573 7645 1 14 . 1 1 45 45 SER HA H 45 4.328 4.328 4.069 0.259 25573 7646 1 14 . 1 1 45 45 SER CA C 45 58.553 58.553 61.895 -3.341 25573 7647 1 14 . 1 1 45 45 SER CB C 45 61.343 61.343 63.333 -1.990 25573 7648 1 14 . 1 1 45 45 SER H H 45 7.963 7.963 8.462 -0.499 25573 7649 1 14 . 1 1 46 46 THR N N 46 106.729 106.729 109.664 -2.935 25573 7650 1 14 . 1 1 46 46 THR HA H 46 4.602 4.602 4.574 0.028 25573 7651 1 14 . 1 1 46 46 THR CA C 46 58.026 58.026 61.029 -3.003 25573 7652 1 14 . 1 1 46 46 THR CB C 46 67.285 67.285 69.421 -2.135 25573 7653 1 14 . 1 1 46 46 THR H H 46 7.560 7.560 7.690 -0.130 25573 7654 1 14 . 1 1 47 47 GLY N N 47 109.384 109.384 110.366 -0.982 25573 7655 1 14 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.288 -1.479 25573 7656 1 14 . 1 1 47 47 GLY H H 47 7.539 7.539 7.800 -0.261 25573 7657 1 14 . 1 1 48 48 ARG N N 48 120.563 120.563 120.013 0.550 25573 7658 1 14 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.940 0.413 25573 7659 1 14 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.144 -4.805 25573 7660 1 14 . 1 1 48 48 ARG CB C 48 29.760 29.760 30.209 -0.449 25573 7661 1 14 . 1 1 48 48 ARG H H 48 8.220 8.220 7.754 0.466 25573 7662 1 14 . 1 1 49 49 GLU N N 49 122.874 122.874 115.109 7.765 25573 7663 1 14 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.117 0.205 25573 7664 1 14 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.622 -2.488 25573 7665 1 14 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.092 0.012 25573 7666 1 14 . 1 1 49 49 GLU H H 49 8.661 8.661 8.512 0.149 25573 7667 1 14 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.499 1.395 25573 7668 1 14 . 1 1 51 51 GLY N N 51 102.859 102.859 108.867 -6.008 25573 7669 1 14 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.978 -2.901 25573 7670 1 14 . 1 1 51 51 GLY H H 51 8.368 8.368 8.307 0.061 25573 7671 1 14 . 1 1 52 52 ASP N N 52 120.491 120.491 121.102 -0.611 25573 7672 1 14 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.753 -0.373 25573 7673 1 14 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.047 -2.366 25573 7674 1 14 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.078 -4.277 25573 7675 1 14 . 1 1 52 52 ASP H H 52 7.204 7.204 7.796 -0.592 25573 7676 1 14 . 1 1 53 53 ILE N N 53 127.662 127.662 120.191 7.471 25573 7677 1 14 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.642 -0.112 25573 7678 1 14 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.717 -4.590 25573 7679 1 14 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.227 -2.732 25573 7680 1 14 . 1 1 53 53 ILE H H 53 8.255 8.255 7.880 0.375 25573 7681 1 14 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.596 -0.110 25573 7682 1 14 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.842 -2.723 25573 7683 1 14 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.645 -3.850 25573 7684 1 14 . 1 1 55 55 GLU N N 55 117.116 117.116 118.249 -1.133 25573 7685 1 14 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.510 -0.004 25573 7686 1 14 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.189 -1.906 25573 7687 1 14 . 1 1 55 55 GLU CB C 55 29.682 29.682 30.261 -0.579 25573 7688 1 14 . 1 1 55 55 GLU H H 55 8.580 8.580 8.533 0.047 25573 7689 1 14 . 1 1 56 56 THR N N 56 105.122 105.122 111.490 -6.368 25573 7690 1 14 . 1 1 56 56 THR HA H 56 4.832 4.832 4.511 0.321 25573 7691 1 14 . 1 1 56 56 THR CA C 56 55.381 55.381 60.382 -5.001 25573 7692 1 14 . 1 1 56 56 THR CB C 56 70.771 70.771 71.476 -0.705 25573 7693 1 14 . 1 1 56 56 THR H H 56 7.367 7.367 7.593 -0.226 25573 7694 1 14 . 1 1 57 57 LEU N N 57 122.564 122.564 124.561 -1.997 25573 7695 1 14 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.001 0.431 25573 7696 1 14 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.671 -2.262 25573 7697 1 14 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.197 -3.336 25573 7698 1 14 . 1 1 57 57 LEU H H 57 9.222 9.222 8.954 0.268 25573 7699 1 14 . 1 1 58 58 ASP N N 58 119.366 119.366 118.757 0.609 25573 7700 1 14 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.477 0.803 25573 7701 1 14 . 1 1 58 58 ASP CB C 58 37.357 37.357 39.791 -2.433 25573 7702 1 14 . 1 1 58 58 ASP H H 58 8.570 8.570 8.440 0.130 25573 7703 1 14 . 1 1 59 59 GLN N N 59 118.241 118.241 119.807 -1.566 25573 7704 1 14 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.093 -0.061 25573 7705 1 14 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.518 -2.601 25573 7706 1 14 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.519 -2.445 25573 7707 1 14 . 1 1 59 59 GLN H H 59 7.823 7.823 7.762 0.061 25573 7708 1 14 . 1 1 60 60 LEU N N 60 121.691 121.691 121.172 0.519 25573 7709 1 14 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.994 0.085 25573 7710 1 14 . 1 1 60 60 LEU CA C 60 55.271 55.271 57.946 -2.675 25573 7711 1 14 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.252 6.385 25573 7712 1 14 . 1 1 60 60 LEU H H 60 8.187 8.187 8.158 0.029 25573 7713 1 14 . 1 1 61 61 ARG N N 61 117.960 117.960 119.365 -1.405 25573 7714 1 14 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.197 -0.131 25573 7715 1 14 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.325 -3.143 25573 7716 1 14 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.048 -1.132 25573 7717 1 14 . 1 1 61 61 ARG H H 61 9.133 9.133 8.256 0.877 25573 7718 1 14 . 1 1 62 62 LEU N N 62 118.408 118.408 120.682 -2.274 25573 7719 1 14 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.175 -0.149 25573 7720 1 14 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.328 -1.248 25573 7721 1 14 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.399 -3.035 25573 7722 1 14 . 1 1 62 62 LEU H H 62 7.817 7.817 8.303 -0.486 25573 7723 1 14 . 1 1 63 63 VAL N N 63 119.177 119.177 119.633 -0.456 25573 7724 1 14 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.530 0.007 25573 7725 1 14 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.042 -2.541 25573 7726 1 14 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.732 -2.848 25573 7727 1 14 . 1 1 63 63 VAL H H 63 7.368 7.368 8.058 -0.690 25573 7728 1 14 . 1 1 64 64 ILE N N 64 119.068 119.068 120.561 -1.493 25573 7729 1 14 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.599 -0.059 25573 7730 1 14 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.982 -1.501 25573 7731 1 14 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.678 -2.966 25573 7732 1 14 . 1 1 64 64 ILE H H 64 8.320 8.320 7.796 0.524 25573 7733 1 14 . 1 1 65 65 CYS N N 65 119.131 119.131 119.093 0.038 25573 7734 1 14 . 1 1 65 65 CYS HA H 65 4.330 4.330 3.907 0.423 25573 7735 1 14 . 1 1 65 65 CYS CA C 65 60.908 60.908 64.824 -3.916 25573 7736 1 14 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.483 -3.591 25573 7737 1 14 . 1 1 65 65 CYS H H 65 9.076 9.076 7.875 1.201 25573 7738 1 14 . 1 1 66 66 ASP N N 66 120.537 120.537 119.923 0.614 25573 7739 1 14 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.474 -0.162 25573 7740 1 14 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.450 0.314 25573 7741 1 14 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.477 -2.292 25573 7742 1 14 . 1 1 66 66 ASP H H 66 8.512 8.512 7.842 0.670 25573 7743 1 14 . 1 1 67 67 LEU N N 67 119.364 119.364 121.685 -2.321 25573 7744 1 14 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.943 0.027 25573 7745 1 14 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.297 -1.311 25573 7746 1 14 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.417 -8.671 25573 7747 1 14 . 1 1 67 67 LEU H H 67 8.971 8.971 8.349 0.622 25573 7748 1 14 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.052 0.377 25573 7749 1 14 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.530 -3.765 25573 7750 1 14 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.510 0.291 25573 7751 1 14 . 1 1 70 70 ARG N N 70 122.186 122.186 119.571 2.615 25573 7752 1 14 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.041 0.445 25573 7753 1 14 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.546 -7.013 25573 7754 1 14 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.268 0.073 25573 7755 1 14 . 1 1 70 70 ARG H H 70 8.345 8.345 8.243 0.102 25573 7756 1 14 . 1 1 71 71 ARG N N 71 121.616 121.616 117.869 3.747 25573 7757 1 14 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.065 -1.441 25573 7758 1 14 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.650 -4.471 25573 7759 1 14 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.516 0.491 25573 7760 1 14 . 1 1 71 71 ARG H H 71 8.480 8.480 7.876 0.604 25573 7761 1 14 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.060 0.012 25573 7762 1 14 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.925 -2.949 25573 7763 1 14 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.544 -1.792 25573 7764 1 14 . 1 1 74 74 PHE N N 74 115.001 115.001 117.484 -2.483 25573 7765 1 14 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.337 0.485 25573 7766 1 14 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.970 -3.849 25573 7767 1 14 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.888 -3.301 25573 7768 1 14 . 1 1 74 74 PHE H H 74 8.530 8.530 7.750 0.780 25573 7769 1 14 . 1 1 75 75 GLY N N 75 110.366 110.366 105.968 4.398 25573 7770 1 14 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.349 -2.345 25573 7771 1 14 . 1 1 75 75 GLY H H 75 7.799 7.799 7.574 0.225 25573 7772 1 14 . 1 1 76 76 SER N N 76 113.283 113.283 115.573 -2.290 25573 7773 1 14 . 1 1 76 76 SER HA H 76 4.523 4.523 4.766 -0.243 25573 7774 1 14 . 1 1 76 76 SER CA C 76 54.361 54.361 58.318 -3.957 25573 7775 1 14 . 1 1 76 76 SER CB C 76 61.887 61.887 64.355 -2.468 25573 7776 1 14 . 1 1 76 76 SER H H 76 8.417 8.417 8.336 0.081 25573 7777 1 14 . 1 1 77 77 SER N N 77 114.950 114.950 115.879 -0.929 25573 7778 1 14 . 1 1 77 77 SER HA H 77 4.535 4.535 4.657 -0.122 25573 7779 1 14 . 1 1 77 77 SER CA C 77 53.833 53.833 57.257 -3.424 25573 7780 1 14 . 1 1 77 77 SER CB C 77 63.488 63.488 64.951 -1.464 25573 7781 1 14 . 1 1 77 77 SER H H 77 8.428 8.428 7.740 0.688 25573 7782 1 14 . 1 1 78 78 LYS N N 78 122.032 122.032 123.556 -1.524 25573 7783 1 14 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.958 0.717 25573 7784 1 14 . 1 1 78 78 LYS CA C 78 54.127 54.127 60.237 -6.110 25573 7785 1 14 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.415 -3.180 25573 7786 1 14 . 1 1 78 78 LYS H H 78 9.044 9.044 8.879 0.165 25573 7787 1 14 . 1 1 79 79 GLU N N 79 118.232 118.232 119.115 -0.883 25573 7788 1 14 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.169 0.123 25573 7789 1 14 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.303 -1.199 25573 7790 1 14 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.802 -2.956 25573 7791 1 14 . 1 1 79 79 GLU H H 79 8.795 8.795 7.903 0.892 25573 7792 1 14 . 1 1 80 80 ILE N N 80 120.491 120.491 120.772 -0.281 25573 7793 1 14 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.711 0.018 25573 7794 1 14 . 1 1 80 80 ILE CA C 80 62.466 62.466 66.000 -3.534 25573 7795 1 14 . 1 1 80 80 ILE CB C 80 36.109 36.109 38.018 -1.909 25573 7796 1 14 . 1 1 80 80 ILE H H 80 7.892 7.892 7.787 0.105 25573 7797 1 14 . 1 1 81 81 ASP N N 81 120.491 120.491 120.203 0.288 25573 7798 1 14 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.305 0.001 25573 7799 1 14 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.784 -2.410 25573 7800 1 14 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.963 -3.587 25573 7801 1 14 . 1 1 81 81 ASP H H 81 8.424 8.424 8.311 0.113 25573 7802 1 14 . 1 1 82 82 MET N N 82 118.588 118.588 118.527 0.061 25573 7803 1 14 . 1 1 82 82 MET HA H 82 4.610 4.610 4.239 0.371 25573 7804 1 14 . 1 1 82 82 MET CA C 82 54.472 54.472 58.803 -4.331 25573 7805 1 14 . 1 1 82 82 MET CB C 82 29.557 29.557 32.729 -3.172 25573 7806 1 14 . 1 1 82 82 MET H H 82 8.215 8.215 7.855 0.360 25573 7807 1 14 . 1 1 83 83 ALA N N 83 127.525 127.525 124.287 3.238 25573 7808 1 14 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.201 -0.102 25573 7809 1 14 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.193 -1.285 25573 7810 1 14 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.326 -3.515 25573 7811 1 14 . 1 1 83 83 ALA H H 83 10.165 10.165 8.028 2.137 25573 7812 1 14 . 1 1 84 84 ILE N N 84 115.968 115.968 118.151 -2.183 25573 7813 1 14 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.720 -0.186 25573 7814 1 14 . 1 1 84 84 ILE CA C 84 64.377 64.377 63.644 0.733 25573 7815 1 14 . 1 1 84 84 ILE CB C 84 35.417 35.417 36.726 -1.309 25573 7816 1 14 . 1 1 84 84 ILE H H 84 8.437 8.437 8.020 0.417 25573 7817 1 14 . 1 1 85 85 VAL N N 85 117.106 117.106 119.806 -2.700 25573 7818 1 14 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.530 0.515 25573 7819 1 14 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.207 -11.282 25573 7820 1 14 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.560 -2.375 25573 7821 1 14 . 1 1 85 85 VAL H H 85 7.835 7.835 7.910 -0.075 25573 7822 1 14 . 1 1 86 86 THR N N 86 116.673 116.673 114.251 2.422 25573 7823 1 14 . 1 1 86 86 THR HA H 86 4.181 4.181 3.925 0.256 25573 7824 1 14 . 1 1 86 86 THR CA C 86 59.627 59.627 66.333 -6.706 25573 7825 1 14 . 1 1 86 86 THR CB C 86 65.856 65.856 68.737 -2.881 25573 7826 1 14 . 1 1 86 86 THR H H 86 8.254 8.254 8.359 -0.105 25573 7827 1 14 . 1 1 87 87 LEU N N 87 121.447 121.447 121.888 -0.441 25573 7828 1 14 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.003 0.579 25573 7829 1 14 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.754 -0.898 25573 7830 1 14 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.627 -9.802 25573 7831 1 14 . 1 1 87 87 LEU H H 87 7.913 7.913 7.740 0.173 25573 7832 1 14 . 1 1 88 88 LYS N N 88 119.505 119.505 119.800 -0.295 25573 7833 1 14 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.607 0.534 25573 7834 1 14 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.835 -3.765 25573 7835 1 14 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.250 -2.363 25573 7836 1 14 . 1 1 88 88 LYS H H 88 7.970 7.970 7.637 0.333 25573 7837 1 14 . 1 1 89 89 VAL N N 89 119.366 119.366 117.318 2.048 25573 7838 1 14 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.635 0.185 25573 7839 1 14 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.378 -9.422 25573 7840 1 14 . 1 1 89 89 VAL H H 89 8.082 8.082 8.349 -0.267 25573 7841 1 14 . 1 1 90 90 PHE N N 90 119.366 119.366 121.979 -2.613 25573 7842 1 14 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.170 0.254 25573 7843 1 14 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.214 -3.063 25573 7844 1 14 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.547 -2.917 25573 7845 1 14 . 1 1 90 90 PHE H H 90 8.104 8.104 7.859 0.245 25573 7846 1 14 . 1 1 91 91 ALA N N 91 118.916 118.916 121.942 -3.026 25573 7847 1 14 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.623 0.893 25573 7848 1 14 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.875 -0.463 25573 7849 1 14 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.174 -2.284 25573 7850 1 14 . 1 1 91 91 ALA H H 91 8.187 8.187 7.817 0.370 25573 7851 1 14 . 1 1 92 92 VAL N N 92 113.741 113.741 118.711 -4.970 25573 7852 1 14 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.637 -0.050 25573 7853 1 14 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.808 -3.229 25573 7854 1 14 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.912 -1.120 25573 7855 1 14 . 1 1 92 92 VAL H H 92 8.196 8.196 8.539 -0.343 25573 7856 1 14 . 1 1 93 93 ALA N N 93 119.366 119.366 120.638 -1.272 25573 7857 1 14 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.233 0.461 25573 7858 1 14 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.498 -4.216 25573 7859 1 14 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.133 -1.418 25573 7860 1 14 . 1 1 93 93 ALA H H 93 8.564 8.564 7.840 0.724 25573 7861 1 14 . 1 1 94 94 GLY N N 94 104.958 104.958 106.587 -1.629 25573 7862 1 14 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.616 -1.692 25573 7863 1 14 . 1 1 94 94 GLY H H 94 6.940 6.940 7.590 -0.650 25573 7864 1 14 . 1 1 95 95 LEU N N 95 120.679 120.679 121.301 -0.622 25573 7865 1 14 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.995 0.010 25573 7866 1 14 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.478 -3.074 25573 7867 1 14 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.920 -3.695 25573 7868 1 14 . 1 1 95 95 LEU H H 95 7.724 7.724 7.436 0.288 25573 7869 1 14 . 1 1 96 96 LEU N N 96 115.261 115.261 117.272 -2.011 25573 7870 1 14 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.373 -0.098 25573 7871 1 14 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.615 -2.345 25573 7872 1 14 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.417 -2.731 25573 7873 1 14 . 1 1 96 96 LEU H H 96 7.723 7.723 7.780 -0.057 25573 7874 1 14 . 1 1 97 97 ASN N N 97 112.672 112.672 112.833 -0.161 25573 7875 1 14 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.438 -0.197 25573 7876 1 14 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.023 -2.823 25573 7877 1 14 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.824 -2.379 25573 7878 1 14 . 1 1 97 97 ASN H H 97 6.694 6.694 7.394 -0.700 25573 7879 1 14 . 1 1 98 98 MET N N 98 115.968 115.968 116.984 -1.016 25573 7880 1 14 . 1 1 98 98 MET HA H 98 4.614 4.614 4.348 0.266 25573 7881 1 14 . 1 1 98 98 MET CA C 98 51.685 51.685 56.100 -4.415 25573 7882 1 14 . 1 1 98 98 MET CB C 98 29.808 29.808 33.428 -3.620 25573 7883 1 14 . 1 1 98 98 MET H H 98 8.168 8.168 7.794 0.374 25573 7884 1 14 . 1 1 99 99 THR N N 99 118.683 118.683 111.673 7.010 25573 7885 1 14 . 1 1 99 99 THR HA H 99 4.184 4.184 4.520 -0.336 25573 7886 1 14 . 1 1 99 99 THR CA C 99 59.813 59.813 60.733 -0.920 25573 7887 1 14 . 1 1 99 99 THR CB C 99 65.438 65.438 68.911 -3.473 25573 7888 1 14 . 1 1 99 99 THR H H 99 8.562 8.562 8.186 0.376 25573 7889 1 14 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.269 -0.150 25573 7890 1 14 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.175 -5.473 25573 7891 1 14 . 1 1 100 100 VAL H H 100 8.392 8.392 7.646 0.746 25573 7892 1 14 . 1 1 101 101 SER N N 101 121.736 121.736 117.627 4.109 25573 7893 1 14 . 1 1 101 101 SER HA H 101 4.645 4.645 4.831 -0.186 25573 7894 1 14 . 1 1 101 101 SER CA C 101 56.852 56.852 57.779 -0.927 25573 7895 1 14 . 1 1 101 101 SER CB C 101 61.739 61.739 63.654 -1.915 25573 7896 1 14 . 1 1 101 101 SER H H 101 8.079 8.079 8.649 -0.570 25573 7897 1 14 . 1 1 102 102 THR N N 102 110.147 110.147 111.111 -0.964 25573 7898 1 14 . 1 1 102 102 THR HA H 102 5.450 5.450 4.778 0.672 25573 7899 1 14 . 1 1 102 102 THR CA C 102 56.522 56.522 61.073 -4.551 25573 7900 1 14 . 1 1 102 102 THR CB C 102 71.007 71.007 71.097 -0.090 25573 7901 1 14 . 1 1 102 102 THR H H 102 7.276 7.276 7.283 -0.007 25573 7902 1 14 . 1 1 103 103 ALA N N 103 124.013 124.013 128.736 -4.723 25573 7903 1 14 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.008 -0.054 25573 7904 1 14 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.519 -3.241 25573 7905 1 14 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.645 -2.961 25573 7906 1 14 . 1 1 103 103 ALA H H 103 8.433 8.433 8.463 -0.030 25573 7907 1 14 . 1 1 104 104 ALA N N 104 119.649 119.649 120.509 -0.860 25573 7908 1 14 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.083 0.203 25573 7909 1 14 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.448 -2.146 25573 7910 1 14 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.279 -1.760 25573 7911 1 14 . 1 1 104 104 ALA H H 104 8.474 8.474 8.269 0.205 25573 7912 1 14 . 1 1 105 105 ALA N N 105 120.587 120.587 121.801 -1.214 25573 7913 1 14 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.958 0.306 25573 7914 1 14 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.958 -2.760 25573 7915 1 14 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.502 -2.757 25573 7916 1 14 . 1 1 105 105 ALA H H 105 8.050 8.050 7.720 0.330 25573 7917 1 14 . 1 1 106 106 ALA N N 106 121.752 121.752 121.201 0.551 25573 7918 1 14 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.934 -0.667 25573 7919 1 14 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.360 -3.849 25573 7920 1 14 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.194 -2.146 25573 7921 1 14 . 1 1 106 106 ALA H H 106 8.071 8.071 7.868 0.203 25573 7922 1 14 . 1 1 107 107 GLU N N 107 119.133 119.133 118.836 0.297 25573 7923 1 14 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.929 -0.070 25573 7924 1 14 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.626 -2.291 25573 7925 1 14 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.689 -2.580 25573 7926 1 14 . 1 1 107 107 GLU H H 107 8.711 8.711 8.004 0.707 25573 7927 1 14 . 1 1 108 108 ASN N N 108 118.306 118.306 117.944 0.362 25573 7928 1 14 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.444 0.157 25573 7929 1 14 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.920 -2.949 25573 7930 1 14 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.447 -2.995 25573 7931 1 14 . 1 1 108 108 ASN H H 108 8.045 8.045 8.367 -0.322 25573 7932 1 14 . 1 1 109 109 MET N N 109 120.038 120.038 120.776 -0.738 25573 7933 1 14 . 1 1 109 109 MET HA H 109 4.305 4.305 4.191 0.114 25573 7934 1 14 . 1 1 109 109 MET CA C 109 55.602 55.602 59.305 -3.703 25573 7935 1 14 . 1 1 109 109 MET CB C 109 29.771 29.771 32.888 -3.117 25573 7936 1 14 . 1 1 109 109 MET H H 109 8.401 8.401 7.936 0.465 25573 7937 1 14 . 1 1 110 110 TYR N N 110 121.616 121.616 119.779 1.837 25573 7938 1 14 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.064 -0.401 25573 7939 1 14 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.925 -3.000 25573 7940 1 14 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.271 -2.345 25573 7941 1 14 . 1 1 110 110 TYR H H 110 8.651 8.651 8.258 0.393 25573 7942 1 14 . 1 1 111 111 SER N N 111 110.621 110.621 114.076 -3.455 25573 7943 1 14 . 1 1 111 111 SER HA H 111 4.540 4.540 4.231 0.309 25573 7944 1 14 . 1 1 111 111 SER CA C 111 58.395 58.395 61.075 -2.679 25573 7945 1 14 . 1 1 111 111 SER CB C 111 60.600 60.600 63.311 -2.711 25573 7946 1 14 . 1 1 111 111 SER H H 111 7.394 7.394 7.962 -0.568 25573 7947 1 14 . 1 1 112 112 GLN N N 112 125.643 125.643 121.027 4.616 25573 7948 1 14 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.063 -0.004 25573 7949 1 14 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.395 -2.312 25573 7950 1 14 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.910 -3.265 25573 7951 1 14 . 1 1 112 112 GLN H H 112 8.774 8.774 8.115 0.659 25573 7952 1 14 . 1 1 113 113 MET N N 113 114.866 114.866 116.398 -1.532 25573 7953 1 14 . 1 1 113 113 MET HA H 113 4.275 4.275 4.335 -0.060 25573 7954 1 14 . 1 1 113 113 MET CA C 113 53.246 53.246 56.638 -3.392 25573 7955 1 14 . 1 1 113 113 MET CB C 113 31.365 31.365 33.878 -2.513 25573 7956 1 14 . 1 1 113 113 MET H H 113 8.070 8.070 8.021 0.049 25573 7957 1 14 . 1 1 114 114 GLY N N 114 107.252 107.252 105.544 1.708 25573 7958 1 14 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.066 -2.106 25573 7959 1 14 . 1 1 114 114 GLY H H 114 8.012 8.012 7.626 0.386 25573 7960 1 14 . 1 1 115 115 LEU N N 115 114.939 114.939 116.953 -2.014 25573 7961 1 14 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.401 -0.526 25573 7962 1 14 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.754 -1.545 25573 7963 1 14 . 1 1 115 115 LEU CB C 115 35.458 35.458 42.093 -6.635 25573 7964 1 14 . 1 1 115 115 LEU H H 115 7.447 7.447 8.131 -0.684 25573 7965 1 14 . 1 1 116 116 ASP N N 116 116.423 116.423 118.297 -1.874 25573 7966 1 14 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.828 -0.158 25573 7967 1 14 . 1 1 116 116 ASP CA C 116 52.303 52.303 53.538 -1.235 25573 7968 1 14 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.057 -5.738 25573 7969 1 14 . 1 1 116 116 ASP H H 116 8.518 8.518 7.656 0.862 25573 7970 1 14 . 1 1 117 117 THR N N 117 113.582 113.582 114.200 -0.618 25573 7971 1 14 . 1 1 117 117 THR HA H 117 4.194 4.194 4.207 -0.013 25573 7972 1 14 . 1 1 117 117 THR CA C 117 58.925 58.925 62.443 -3.518 25573 7973 1 14 . 1 1 117 117 THR CB C 117 67.320 67.320 69.544 -2.224 25573 7974 1 14 . 1 1 117 117 THR H H 117 7.240 7.240 8.078 -0.838 25573 7975 1 14 . 1 1 118 118 ARG N N 118 126.068 126.068 120.314 5.754 25573 7976 1 14 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.234 0.332 25573 7977 1 14 . 1 1 118 118 ARG CA C 118 52.343 52.343 55.852 -3.509 25573 7978 1 14 . 1 1 118 118 ARG CB C 118 33.708 33.708 29.810 3.898 25573 7979 1 14 . 1 1 118 118 ARG H H 118 8.711 8.711 8.487 0.224 25573 7980 1 14 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.493 -2.415 25573 7981 1 14 . 1 1 119 119 PRO CA C 119 60.043 60.043 63.207 -3.164 25573 7982 1 14 . 1 1 120 120 SER N N 120 116.251 116.251 119.787 -3.536 25573 7983 1 14 . 1 1 120 120 SER HA H 120 4.385 4.385 4.658 -0.273 25573 7984 1 14 . 1 1 120 120 SER CA C 120 55.352 55.352 58.608 -3.256 25573 7985 1 14 . 1 1 120 120 SER CB C 120 61.037 61.037 63.355 -2.318 25573 7986 1 14 . 1 1 120 120 SER H H 120 8.385 8.385 8.548 -0.163 25573 7987 1 14 . 1 1 121 121 MET N N 121 123.171 123.171 121.395 1.776 25573 7988 1 14 . 1 1 121 121 MET HA H 121 4.289 4.289 4.485 -0.196 25573 7989 1 14 . 1 1 121 121 MET CA C 121 53.282 53.282 55.388 -2.106 25573 7990 1 14 . 1 1 121 121 MET CB C 121 30.755 30.755 34.766 -4.011 25573 7991 1 14 . 1 1 121 121 MET H H 121 8.297 8.297 7.689 0.608 25573 7992 1 14 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.549 -0.291 25573 7993 1 14 . 1 1 122 122 LYS CA C 122 53.669 53.669 55.869 -2.200 25573 7994 1 14 . 1 1 123 123 GLU N N 123 122.135 122.135 121.315 0.820 25573 7995 1 14 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.773 -8.870 25573 7996 1 14 . 1 1 123 123 GLU CB C 123 30.404 30.404 30.938 -0.534 25573 7997 1 14 . 1 1 123 123 GLU H H 123 8.505 8.505 8.395 0.110 25573 7998 1 14 . 1 1 124 124 ALA N N 124 125.340 125.340 124.768 0.572 25573 7999 1 14 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.701 -0.370 25573 8000 1 14 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.976 -2.143 25573 8001 1 14 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.877 -4.212 25573 8002 1 14 . 1 1 124 124 ALA H H 124 8.422 8.422 8.251 0.171 25573 8003 1 14 . 1 1 125 125 GLY N N 125 108.426 108.426 108.150 0.276 25573 8004 1 14 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.547 -1.806 25573 8005 1 14 . 1 1 125 125 GLY H H 125 8.401 8.401 8.411 -0.010 25573 8006 1 14 . 1 1 126 126 GLY N N 126 109.792 109.792 108.994 0.798 25573 8007 1 14 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.368 -2.121 25573 8008 1 14 . 1 1 126 126 GLY H H 126 8.515 8.515 8.070 0.445 25573 8009 1 14 . 1 1 127 127 LYS N N 127 120.366 120.366 122.958 -2.592 25573 8010 1 14 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.204 0.117 25573 8011 1 14 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.830 -3.286 25573 8012 1 14 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.657 -2.305 25573 8013 1 14 . 1 1 127 127 LYS H H 127 8.244 8.244 8.464 -0.220 25573 8014 1 14 . 1 1 128 128 GLU N N 128 122.270 122.270 123.285 -1.015 25573 8015 1 14 . 1 1 128 128 GLU CA C 128 56.044 56.044 57.723 -1.679 25573 8016 1 14 . 1 1 128 128 GLU H H 128 8.559 8.559 8.552 0.007 25573 8017 1 14 . 1 1 129 129 GLU N N 129 122.282 122.282 117.602 4.680 25573 8018 1 14 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.278 0.258 25573 8019 1 14 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.477 -1.288 25573 8020 1 14 . 1 1 129 129 GLU H H 129 8.027 8.027 8.088 -0.061 25573 8021 1 14 . 1 1 130 130 GLY N N 130 110.258 110.258 111.076 -0.818 25573 8022 1 14 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.672 -3.011 25573 8023 1 14 . 1 1 130 130 GLY H H 130 10.190 10.190 8.354 1.836 25573 8024 1 14 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.452 -0.073 25573 8025 1 14 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.826 -2.357 25573 8026 1 14 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.528 -3.297 25573 8027 1 14 . 1 1 133 133 GLN N N 133 119.932 119.932 120.525 -0.593 25573 8028 1 14 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.482 -0.163 25573 8029 1 14 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.542 -2.293 25573 8030 1 14 . 1 1 133 133 GLN CB C 133 29.655 29.655 29.779 -0.124 25573 8031 1 14 . 1 1 133 133 GLN H H 133 8.478 8.478 8.685 -0.207 25573 8032 1 14 . 1 1 134 134 ALA N N 134 124.828 124.828 127.768 -2.940 25573 8033 1 14 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.459 -0.210 25573 8034 1 14 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.599 -2.907 25573 8035 1 14 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.706 -3.682 25573 8036 1 14 . 1 1 134 134 ALA H H 134 8.263 8.263 8.852 -0.589 25573 8037 1 15 . 1 1 3 3 ASN N N 3 119.366 119.366 120.949 -1.583 25573 8038 1 15 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.445 0.138 25573 8039 1 15 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.168 -1.777 25573 8040 1 15 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.756 -3.044 25573 8041 1 15 . 1 1 3 3 ASN H H 3 8.596 8.596 8.879 -0.283 25573 8042 1 15 . 1 1 4 4 GLY N N 4 112.829 112.829 108.543 4.286 25573 8043 1 15 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.354 -1.652 25573 8044 1 15 . 1 1 4 4 GLY H H 4 8.073 8.073 8.239 -0.166 25573 8045 1 15 . 1 1 5 5 ALA N N 5 123.630 123.630 121.480 2.150 25573 8046 1 15 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.894 -0.491 25573 8047 1 15 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.020 -2.380 25573 8048 1 15 . 1 1 5 5 ALA CB C 5 16.414 16.414 20.725 -4.311 25573 8049 1 15 . 1 1 5 5 ALA H H 5 8.008 8.008 8.109 -0.101 25573 8050 1 15 . 1 1 6 6 SER N N 6 114.866 114.866 117.596 -2.730 25573 8051 1 15 . 1 1 6 6 SER HA H 6 4.270 4.270 4.452 -0.182 25573 8052 1 15 . 1 1 6 6 SER CA C 6 56.023 56.023 59.160 -3.136 25573 8053 1 15 . 1 1 6 6 SER CB C 6 60.936 60.936 63.790 -2.854 25573 8054 1 15 . 1 1 6 6 SER H H 6 8.293 8.293 8.641 -0.348 25573 8055 1 15 . 1 1 7 7 ARG N N 7 119.250 119.250 123.837 -4.587 25573 8056 1 15 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.087 0.419 25573 8057 1 15 . 1 1 7 7 ARG CB C 7 30.422 30.422 29.413 1.008 25573 8058 1 15 . 1 1 7 7 ARG H H 7 8.305 8.305 8.662 -0.357 25573 8059 1 15 . 1 1 8 8 ASP N N 8 119.662 119.662 119.299 0.363 25573 8060 1 15 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.471 -0.318 25573 8061 1 15 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.901 -1.347 25573 8062 1 15 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.840 -14.339 25573 8063 1 15 . 1 1 8 8 ASP H H 8 7.915 7.915 8.619 -0.704 25573 8064 1 15 . 1 1 9 9 TRP N N 9 121.861 121.861 122.261 -0.400 25573 8065 1 15 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.472 -0.356 25573 8066 1 15 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.893 -3.931 25573 8067 1 15 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.892 -1.870 25573 8068 1 15 . 1 1 9 9 TRP H H 9 8.222 8.222 7.349 0.873 25573 8069 1 15 . 1 1 10 10 LYS N N 10 118.681 118.681 119.526 -0.845 25573 8070 1 15 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.741 0.541 25573 8071 1 15 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.733 -0.834 25573 8072 1 15 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.319 -4.280 25573 8073 1 15 . 1 1 10 10 LYS H H 10 8.003 8.003 8.590 -0.587 25573 8074 1 15 . 1 1 11 11 MET N N 11 119.366 119.366 118.749 0.617 25573 8075 1 15 . 1 1 11 11 MET HA H 11 4.559 4.559 4.150 0.409 25573 8076 1 15 . 1 1 11 11 MET CA C 11 53.485 53.485 57.890 -4.405 25573 8077 1 15 . 1 1 11 11 MET H H 11 8.041 8.041 7.858 0.183 25573 8078 1 15 . 1 1 12 12 ALA N N 12 122.650 122.650 122.165 0.485 25573 8079 1 15 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.045 0.164 25573 8080 1 15 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.892 4.907 25573 8081 1 15 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.123 -0.351 25573 8082 1 15 . 1 1 12 12 ALA H H 12 7.904 7.904 7.724 0.180 25573 8083 1 15 . 1 1 13 13 ILE N N 13 117.322 117.322 118.930 -1.608 25573 8084 1 15 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.722 1.856 25573 8085 1 15 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.781 -7.878 25573 8086 1 15 . 1 1 13 13 ILE H H 13 8.380 8.380 7.823 0.557 25573 8087 1 15 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.672 1.244 25573 8088 1 15 . 1 1 16 16 CYS N N 16 116.263 116.263 117.896 -1.633 25573 8089 1 15 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.317 -0.272 25573 8090 1 15 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.451 -1.667 25573 8091 1 15 . 1 1 16 16 CYS CB C 16 28.810 28.810 27.325 1.485 25573 8092 1 15 . 1 1 16 16 CYS H H 16 7.799 7.799 7.968 -0.169 25573 8093 1 15 . 1 1 17 17 SER N N 17 114.606 114.606 116.862 -2.256 25573 8094 1 15 . 1 1 17 17 SER HA H 17 4.952 4.952 3.941 1.011 25573 8095 1 15 . 1 1 17 17 SER CA C 17 58.171 58.171 61.465 -3.293 25573 8096 1 15 . 1 1 17 17 SER CB C 17 60.740 60.740 62.942 -2.202 25573 8097 1 15 . 1 1 17 17 SER H H 17 7.830 7.830 7.917 -0.087 25573 8098 1 15 . 1 1 18 18 ASN N N 18 116.143 116.143 117.752 -1.609 25573 8099 1 15 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.816 0.192 25573 8100 1 15 . 1 1 18 18 ASN CA C 18 50.475 50.475 52.129 -1.654 25573 8101 1 15 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.351 -1.062 25573 8102 1 15 . 1 1 18 18 ASN H H 18 7.557 7.557 7.655 -0.098 25573 8103 1 15 . 1 1 19 19 VAL N N 19 121.616 121.616 120.044 1.572 25573 8104 1 15 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.284 -0.785 25573 8105 1 15 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.866 -1.136 25573 8106 1 15 . 1 1 19 19 VAL CB C 19 29.042 29.042 35.168 -6.126 25573 8107 1 15 . 1 1 19 19 VAL H H 19 7.919 7.919 7.633 0.286 25573 8108 1 15 . 1 1 20 20 ALA N N 20 129.139 129.139 127.215 1.924 25573 8109 1 15 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.794 0.001 25573 8110 1 15 . 1 1 20 20 ALA C C 20 169.500 169.500 178.095 -8.595 25573 8111 1 15 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.894 -0.479 25573 8112 1 15 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.073 -3.357 25573 8113 1 15 . 1 1 20 20 ALA H H 20 8.150 8.150 7.927 0.223 25573 8114 1 15 . 1 1 21 21 VAL N N 21 120.390 120.390 119.240 1.150 25573 8115 1 15 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.918 -0.151 25573 8116 1 15 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.362 -0.784 25573 8117 1 15 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.790 -2.044 25573 8118 1 15 . 1 1 21 21 VAL H H 21 8.319 8.319 7.989 0.330 25573 8119 1 15 . 1 1 22 22 GLY N N 22 108.884 108.884 106.510 2.374 25573 8120 1 15 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.104 -2.136 25573 8121 1 15 . 1 1 22 22 GLY H H 22 8.221 8.221 7.316 0.905 25573 8122 1 15 . 1 1 23 23 VAL N N 23 117.439 117.439 118.060 -0.621 25573 8123 1 15 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.299 -0.061 25573 8124 1 15 . 1 1 23 23 VAL CA C 23 59.088 59.088 62.854 -3.766 25573 8125 1 15 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.574 -2.140 25573 8126 1 15 . 1 1 23 23 VAL H H 23 8.003 8.003 8.340 -0.337 25573 8127 1 15 . 1 1 24 24 GLY N N 24 112.616 112.616 108.368 4.248 25573 8128 1 15 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.842 -2.063 25573 8129 1 15 . 1 1 24 24 GLY H H 24 8.716 8.716 7.855 0.861 25573 8130 1 15 . 1 1 25 25 GLY N N 25 108.753 108.753 108.940 -0.187 25573 8131 1 15 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.661 -3.661 25573 8132 1 15 . 1 1 25 25 GLY H H 25 8.286 8.286 8.140 0.146 25573 8133 1 15 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.490 -0.114 25573 8134 1 15 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.392 -1.879 25573 8135 1 15 . 1 1 27 27 SER HA H 27 4.922 4.922 4.381 0.541 25573 8136 1 15 . 1 1 27 27 SER CA C 27 56.876 56.876 58.426 -1.550 25573 8137 1 15 . 1 1 27 27 SER CB C 27 64.578 64.578 62.471 2.107 25573 8138 1 15 . 1 1 27 27 SER H H 27 7.831 7.831 8.718 -0.887 25573 8139 1 15 . 1 1 28 28 LYS N N 28 122.919 122.919 124.093 -1.174 25573 8140 1 15 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.549 -0.365 25573 8141 1 15 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.280 1.259 25573 8142 1 15 . 1 1 28 28 LYS CB C 28 33.366 33.366 35.796 -2.430 25573 8143 1 15 . 1 1 28 28 LYS H H 28 8.589 8.589 7.966 0.623 25573 8144 1 15 . 1 1 29 29 LYS N N 29 120.917 120.917 121.302 -0.385 25573 8145 1 15 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.438 -0.055 25573 8146 1 15 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.502 -1.967 25573 8147 1 15 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.080 -2.004 25573 8148 1 15 . 1 1 29 29 LYS H H 29 8.471 8.471 8.188 0.283 25573 8149 1 15 . 1 1 30 30 PHE N N 30 119.366 119.366 119.110 0.256 25573 8150 1 15 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.663 -0.805 25573 8151 1 15 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.318 0.854 25573 8152 1 15 . 1 1 30 30 PHE CB C 30 38.242 38.242 41.092 -2.850 25573 8153 1 15 . 1 1 30 30 PHE H H 30 8.000 8.000 8.165 -0.165 25573 8154 1 15 . 1 1 31 31 GLY N N 31 106.991 106.991 105.527 1.464 25573 8155 1 15 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.763 -3.827 25573 8156 1 15 . 1 1 31 31 GLY H H 31 8.404 8.404 8.279 0.125 25573 8157 1 15 . 1 1 32 32 GLU N N 32 120.491 120.491 120.402 0.089 25573 8158 1 15 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.837 0.275 25573 8159 1 15 . 1 1 32 32 GLU CA C 32 58.171 58.171 58.527 -0.356 25573 8160 1 15 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.340 -2.034 25573 8161 1 15 . 1 1 32 32 GLU H H 32 9.168 9.168 8.718 0.450 25573 8162 1 15 . 1 1 33 33 GLY N N 33 109.241 109.241 109.268 -0.027 25573 8163 1 15 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.812 -3.221 25573 8164 1 15 . 1 1 33 33 GLY H H 33 8.613 8.613 8.509 0.104 25573 8165 1 15 . 1 1 34 34 ASN N N 34 118.241 118.241 121.214 -2.973 25573 8166 1 15 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.559 -0.521 25573 8167 1 15 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.553 -2.090 25573 8168 1 15 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.362 -1.968 25573 8169 1 15 . 1 1 34 34 ASN H H 34 7.897 7.897 8.389 -0.492 25573 8170 1 15 . 1 1 35 35 PHE N N 35 117.116 117.116 120.575 -3.459 25573 8171 1 15 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.037 0.051 25573 8172 1 15 . 1 1 35 35 PHE CA C 35 59.312 59.312 61.340 -2.029 25573 8173 1 15 . 1 1 35 35 PHE CB C 35 35.828 35.828 38.512 -2.684 25573 8174 1 15 . 1 1 35 35 PHE H H 35 7.180 7.180 8.682 -1.502 25573 8175 1 15 . 1 1 36 36 ARG N N 36 117.825 117.825 119.328 -1.503 25573 8176 1 15 . 1 1 36 36 ARG HA H 36 3.572 3.572 3.945 -0.373 25573 8177 1 15 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.675 -1.433 25573 8178 1 15 . 1 1 36 36 ARG CB C 36 33.997 33.997 30.089 3.908 25573 8179 1 15 . 1 1 36 36 ARG H H 36 8.278 8.278 7.891 0.387 25573 8180 1 15 . 1 1 37 37 TRP N N 37 118.845 118.845 121.405 -2.560 25573 8181 1 15 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.186 -0.052 25573 8182 1 15 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.315 -2.415 25573 8183 1 15 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.253 -1.804 25573 8184 1 15 . 1 1 37 37 TRP H H 37 8.106 8.106 7.991 0.115 25573 8185 1 15 . 1 1 38 38 ALA N N 38 119.609 119.609 122.156 -2.547 25573 8186 1 15 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.626 0.803 25573 8187 1 15 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.773 -1.879 25573 8188 1 15 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.358 -1.959 25573 8189 1 15 . 1 1 38 38 ALA H H 38 8.332 8.332 7.849 0.483 25573 8190 1 15 . 1 1 39 39 ILE N N 39 114.866 114.866 119.213 -4.347 25573 8191 1 15 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.481 0.883 25573 8192 1 15 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.494 -9.910 25573 8193 1 15 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.575 -6.083 25573 8194 1 15 . 1 1 39 39 ILE H H 39 8.161 8.161 7.799 0.362 25573 8195 1 15 . 1 1 40 40 ARG N N 40 120.240 120.240 119.478 0.762 25573 8196 1 15 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.828 0.238 25573 8197 1 15 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.571 -2.932 25573 8198 1 15 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.016 -0.207 25573 8199 1 15 . 1 1 40 40 ARG H H 40 8.446 8.446 8.271 0.175 25573 8200 1 15 . 1 1 41 41 MET HA H 41 4.305 4.305 3.857 0.448 25573 8201 1 15 . 1 1 41 41 MET CA C 41 53.585 53.585 58.577 -4.992 25573 8202 1 15 . 1 1 41 41 MET CB C 41 29.902 29.902 32.074 -2.172 25573 8203 1 15 . 1 1 42 42 ALA N N 42 122.782 122.782 120.870 1.912 25573 8204 1 15 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.890 0.658 25573 8205 1 15 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.072 -2.796 25573 8206 1 15 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.145 -1.285 25573 8207 1 15 . 1 1 42 42 ALA H H 42 8.556 8.556 7.757 0.799 25573 8208 1 15 . 1 1 43 43 ASN N N 43 119.366 119.366 116.498 2.868 25573 8209 1 15 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.462 0.232 25573 8210 1 15 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.603 -5.266 25573 8211 1 15 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.439 -2.748 25573 8212 1 15 . 1 1 43 43 ASN H H 43 8.613 8.613 8.322 0.291 25573 8213 1 15 . 1 1 44 44 VAL N N 44 118.466 118.466 119.563 -1.097 25573 8214 1 15 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.949 -0.050 25573 8215 1 15 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.748 -2.654 25573 8216 1 15 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.982 -3.061 25573 8217 1 15 . 1 1 44 44 VAL H H 44 8.464 8.464 7.621 0.843 25573 8218 1 15 . 1 1 45 45 SER N N 45 113.763 113.763 116.326 -2.563 25573 8219 1 15 . 1 1 45 45 SER HA H 45 4.328 4.328 4.197 0.131 25573 8220 1 15 . 1 1 45 45 SER CA C 45 58.553 58.553 61.388 -2.835 25573 8221 1 15 . 1 1 45 45 SER CB C 45 61.343 61.343 63.466 -2.123 25573 8222 1 15 . 1 1 45 45 SER H H 45 7.963 7.963 8.366 -0.403 25573 8223 1 15 . 1 1 46 46 THR N N 46 106.729 106.729 110.490 -3.761 25573 8224 1 15 . 1 1 46 46 THR HA H 46 4.602 4.602 4.592 0.010 25573 8225 1 15 . 1 1 46 46 THR CA C 46 58.026 58.026 60.716 -2.690 25573 8226 1 15 . 1 1 46 46 THR CB C 46 67.285 67.285 69.660 -2.375 25573 8227 1 15 . 1 1 46 46 THR H H 46 7.560 7.560 7.952 -0.392 25573 8228 1 15 . 1 1 47 47 GLY N N 47 109.384 109.384 110.462 -1.078 25573 8229 1 15 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.946 -2.137 25573 8230 1 15 . 1 1 47 47 GLY H H 47 7.539 7.539 8.037 -0.498 25573 8231 1 15 . 1 1 48 48 ARG N N 48 120.563 120.563 119.822 0.741 25573 8232 1 15 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.946 0.407 25573 8233 1 15 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.528 -4.189 25573 8234 1 15 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.357 0.403 25573 8235 1 15 . 1 1 48 48 ARG H H 48 8.220 8.220 7.799 0.421 25573 8236 1 15 . 1 1 49 49 GLU N N 49 122.874 122.874 118.160 4.714 25573 8237 1 15 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.476 -0.154 25573 8238 1 15 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.864 -0.730 25573 8239 1 15 . 1 1 49 49 GLU CB C 49 29.104 29.104 30.448 -1.344 25573 8240 1 15 . 1 1 49 49 GLU H H 49 8.661 8.661 7.727 0.934 25573 8241 1 15 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.515 2.379 25573 8242 1 15 . 1 1 51 51 GLY N N 51 102.859 102.859 109.001 -6.142 25573 8243 1 15 . 1 1 51 51 GLY CA C 51 42.077 42.077 44.946 -2.869 25573 8244 1 15 . 1 1 51 51 GLY H H 51 8.368 8.368 8.289 0.079 25573 8245 1 15 . 1 1 52 52 ASP N N 52 120.491 120.491 120.284 0.207 25573 8246 1 15 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.448 -0.068 25573 8247 1 15 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.887 -2.206 25573 8248 1 15 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.062 -4.261 25573 8249 1 15 . 1 1 52 52 ASP H H 52 7.204 7.204 7.596 -0.392 25573 8250 1 15 . 1 1 53 53 ILE N N 53 127.662 127.662 118.907 8.755 25573 8251 1 15 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.175 0.355 25573 8252 1 15 . 1 1 53 53 ILE CA C 53 54.127 54.127 60.445 -6.318 25573 8253 1 15 . 1 1 53 53 ILE CB C 53 35.495 35.495 37.523 -2.027 25573 8254 1 15 . 1 1 53 53 ILE H H 53 8.255 8.255 7.807 0.448 25573 8255 1 15 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.484 0.002 25573 8256 1 15 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.892 -2.773 25573 8257 1 15 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.487 -3.692 25573 8258 1 15 . 1 1 55 55 GLU N N 55 117.116 117.116 116.776 0.340 25573 8259 1 15 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.388 0.118 25573 8260 1 15 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.859 -2.576 25573 8261 1 15 . 1 1 55 55 GLU CB C 55 29.682 29.682 30.698 -1.016 25573 8262 1 15 . 1 1 55 55 GLU H H 55 8.580 8.580 8.810 -0.230 25573 8263 1 15 . 1 1 56 56 THR N N 56 105.122 105.122 115.397 -10.275 25573 8264 1 15 . 1 1 56 56 THR HA H 56 4.832 4.832 4.317 0.515 25573 8265 1 15 . 1 1 56 56 THR CA C 56 55.381 55.381 62.468 -7.087 25573 8266 1 15 . 1 1 56 56 THR CB C 56 70.771 70.771 69.552 1.219 25573 8267 1 15 . 1 1 56 56 THR H H 56 7.367 7.367 8.044 -0.677 25573 8268 1 15 . 1 1 57 57 LEU N N 57 122.564 122.564 127.090 -4.526 25573 8269 1 15 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.975 0.457 25573 8270 1 15 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.104 -2.695 25573 8271 1 15 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.011 -4.150 25573 8272 1 15 . 1 1 57 57 LEU H H 57 9.222 9.222 8.928 0.294 25573 8273 1 15 . 1 1 58 58 ASP N N 58 119.366 119.366 117.771 1.595 25573 8274 1 15 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.531 0.749 25573 8275 1 15 . 1 1 58 58 ASP CB C 58 37.357 37.357 39.886 -2.529 25573 8276 1 15 . 1 1 58 58 ASP H H 58 8.570 8.570 8.637 -0.067 25573 8277 1 15 . 1 1 59 59 GLN N N 59 118.241 118.241 119.213 -0.972 25573 8278 1 15 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.094 -0.062 25573 8279 1 15 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.619 -2.702 25573 8280 1 15 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.870 -2.796 25573 8281 1 15 . 1 1 59 59 GLN H H 59 7.823 7.823 7.638 0.185 25573 8282 1 15 . 1 1 60 60 LEU N N 60 121.691 121.691 121.776 -0.085 25573 8283 1 15 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.992 0.087 25573 8284 1 15 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.341 -3.070 25573 8285 1 15 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.927 5.710 25573 8286 1 15 . 1 1 60 60 LEU H H 60 8.187 8.187 8.171 0.016 25573 8287 1 15 . 1 1 61 61 ARG N N 61 117.960 117.960 118.618 -0.658 25573 8288 1 15 . 1 1 61 61 ARG HA H 61 4.066 4.066 3.997 0.069 25573 8289 1 15 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.687 -3.505 25573 8290 1 15 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.945 -1.029 25573 8291 1 15 . 1 1 61 61 ARG H H 61 9.133 9.133 8.267 0.866 25573 8292 1 15 . 1 1 62 62 LEU N N 62 118.408 118.408 120.231 -1.823 25573 8293 1 15 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.160 -0.134 25573 8294 1 15 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.735 -1.655 25573 8295 1 15 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.196 -2.832 25573 8296 1 15 . 1 1 62 62 LEU H H 62 7.817 7.817 7.975 -0.158 25573 8297 1 15 . 1 1 63 63 VAL N N 63 119.177 119.177 119.523 -0.346 25573 8298 1 15 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.602 -0.065 25573 8299 1 15 . 1 1 63 63 VAL CA C 63 64.501 64.501 66.963 -2.462 25573 8300 1 15 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.262 -2.378 25573 8301 1 15 . 1 1 63 63 VAL H H 63 7.368 7.368 7.669 -0.301 25573 8302 1 15 . 1 1 64 64 ILE N N 64 119.068 119.068 120.548 -1.480 25573 8303 1 15 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.689 -0.149 25573 8304 1 15 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.516 -1.035 25573 8305 1 15 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.784 -3.072 25573 8306 1 15 . 1 1 64 64 ILE H H 64 8.320 8.320 7.894 0.426 25573 8307 1 15 . 1 1 65 65 CYS N N 65 119.131 119.131 119.371 -0.240 25573 8308 1 15 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.071 0.259 25573 8309 1 15 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.742 -1.834 25573 8310 1 15 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.320 -2.428 25573 8311 1 15 . 1 1 65 65 CYS H H 65 9.076 9.076 7.923 1.153 25573 8312 1 15 . 1 1 66 66 ASP N N 66 120.537 120.537 120.606 -0.069 25573 8313 1 15 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.389 -0.077 25573 8314 1 15 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.136 0.628 25573 8315 1 15 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.697 -2.511 25573 8316 1 15 . 1 1 66 66 ASP H H 66 8.512 8.512 8.304 0.208 25573 8317 1 15 . 1 1 67 67 LEU N N 67 119.364 119.364 121.266 -1.902 25573 8318 1 15 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.971 -0.001 25573 8319 1 15 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.017 -1.031 25573 8320 1 15 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.013 -9.267 25573 8321 1 15 . 1 1 67 67 LEU H H 67 8.971 8.971 7.841 1.130 25573 8322 1 15 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.038 0.391 25573 8323 1 15 . 1 1 69 69 GLU CA C 69 55.765 55.765 60.005 -4.240 25573 8324 1 15 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.628 0.173 25573 8325 1 15 . 1 1 70 70 ARG N N 70 122.186 122.186 119.885 2.301 25573 8326 1 15 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.083 0.403 25573 8327 1 15 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.615 -7.082 25573 8328 1 15 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.343 -0.002 25573 8329 1 15 . 1 1 70 70 ARG H H 70 8.345 8.345 7.830 0.515 25573 8330 1 15 . 1 1 71 71 ARG N N 71 121.616 121.616 118.515 3.101 25573 8331 1 15 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.063 -1.439 25573 8332 1 15 . 1 1 71 71 ARG CA C 71 54.179 54.179 59.047 -4.868 25573 8333 1 15 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.557 0.450 25573 8334 1 15 . 1 1 71 71 ARG H H 71 8.480 8.480 8.657 -0.177 25573 8335 1 15 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.023 0.049 25573 8336 1 15 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.904 -2.928 25573 8337 1 15 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.405 -1.653 25573 8338 1 15 . 1 1 74 74 PHE N N 74 115.001 115.001 116.858 -1.857 25573 8339 1 15 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.336 0.486 25573 8340 1 15 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.614 -4.493 25573 8341 1 15 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.490 -2.903 25573 8342 1 15 . 1 1 74 74 PHE H H 74 8.530 8.530 7.775 0.755 25573 8343 1 15 . 1 1 75 75 GLY N N 75 110.366 110.366 105.675 4.691 25573 8344 1 15 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.396 -2.392 25573 8345 1 15 . 1 1 75 75 GLY H H 75 7.799 7.799 7.550 0.249 25573 8346 1 15 . 1 1 76 76 SER N N 76 113.283 113.283 115.295 -2.012 25573 8347 1 15 . 1 1 76 76 SER HA H 76 4.523 4.523 4.746 -0.223 25573 8348 1 15 . 1 1 76 76 SER CA C 76 54.361 54.361 58.180 -3.819 25573 8349 1 15 . 1 1 76 76 SER CB C 76 61.887 61.887 64.770 -2.883 25573 8350 1 15 . 1 1 76 76 SER H H 76 8.417 8.417 8.446 -0.029 25573 8351 1 15 . 1 1 77 77 SER N N 77 114.950 114.950 119.641 -4.691 25573 8352 1 15 . 1 1 77 77 SER HA H 77 4.535 4.535 4.852 -0.317 25573 8353 1 15 . 1 1 77 77 SER CA C 77 53.833 53.833 57.702 -3.869 25573 8354 1 15 . 1 1 77 77 SER CB C 77 63.488 63.488 64.862 -1.374 25573 8355 1 15 . 1 1 77 77 SER H H 77 8.428 8.428 8.520 -0.092 25573 8356 1 15 . 1 1 78 78 LYS N N 78 122.032 122.032 125.849 -3.817 25573 8357 1 15 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.984 0.691 25573 8358 1 15 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.259 -5.132 25573 8359 1 15 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.367 -3.131 25573 8360 1 15 . 1 1 78 78 LYS H H 78 9.044 9.044 8.931 0.113 25573 8361 1 15 . 1 1 79 79 GLU N N 79 118.232 118.232 119.298 -1.066 25573 8362 1 15 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.140 0.152 25573 8363 1 15 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.450 -1.346 25573 8364 1 15 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.750 -2.904 25573 8365 1 15 . 1 1 79 79 GLU H H 79 8.795 8.795 7.810 0.985 25573 8366 1 15 . 1 1 80 80 ILE N N 80 120.491 120.491 121.386 -0.895 25573 8367 1 15 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.734 -0.005 25573 8368 1 15 . 1 1 80 80 ILE CA C 80 62.466 62.466 66.025 -3.559 25573 8369 1 15 . 1 1 80 80 ILE CB C 80 36.109 36.109 38.193 -2.084 25573 8370 1 15 . 1 1 80 80 ILE H H 80 7.892 7.892 8.542 -0.650 25573 8371 1 15 . 1 1 81 81 ASP N N 81 120.491 120.491 119.426 1.065 25573 8372 1 15 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.300 0.006 25573 8373 1 15 . 1 1 81 81 ASP CA C 81 55.374 55.374 58.046 -2.672 25573 8374 1 15 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.635 -3.259 25573 8375 1 15 . 1 1 81 81 ASP H H 81 8.424 8.424 8.469 -0.045 25573 8376 1 15 . 1 1 82 82 MET N N 82 118.588 118.588 120.300 -1.712 25573 8377 1 15 . 1 1 82 82 MET HA H 82 4.610 4.610 4.020 0.590 25573 8378 1 15 . 1 1 82 82 MET CA C 82 54.472 54.472 59.005 -4.533 25573 8379 1 15 . 1 1 82 82 MET CB C 82 29.557 29.557 32.344 -2.787 25573 8380 1 15 . 1 1 82 82 MET H H 82 8.215 8.215 7.826 0.389 25573 8381 1 15 . 1 1 83 83 ALA N N 83 127.525 127.525 122.404 5.121 25573 8382 1 15 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.048 0.051 25573 8383 1 15 . 1 1 83 83 ALA CA C 83 53.908 53.908 54.942 -1.034 25573 8384 1 15 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.291 -3.481 25573 8385 1 15 . 1 1 83 83 ALA H H 83 10.165 10.165 7.846 2.319 25573 8386 1 15 . 1 1 84 84 ILE N N 84 115.968 115.968 118.485 -2.517 25573 8387 1 15 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.530 0.004 25573 8388 1 15 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.282 -0.905 25573 8389 1 15 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.631 -2.214 25573 8390 1 15 . 1 1 84 84 ILE H H 84 8.437 8.437 7.673 0.764 25573 8391 1 15 . 1 1 85 85 VAL N N 85 117.106 117.106 119.192 -2.086 25573 8392 1 15 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.584 0.461 25573 8393 1 15 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.677 -10.752 25573 8394 1 15 . 1 1 85 85 VAL CB C 85 29.185 29.185 30.732 -1.547 25573 8395 1 15 . 1 1 85 85 VAL H H 85 7.835 7.835 7.928 -0.093 25573 8396 1 15 . 1 1 86 86 THR N N 86 116.673 116.673 113.957 2.716 25573 8397 1 15 . 1 1 86 86 THR HA H 86 4.181 4.181 3.224 0.957 25573 8398 1 15 . 1 1 86 86 THR CA C 86 59.627 59.627 65.339 -5.712 25573 8399 1 15 . 1 1 86 86 THR CB C 86 65.856 65.856 67.394 -1.538 25573 8400 1 15 . 1 1 86 86 THR H H 86 8.254 8.254 7.606 0.648 25573 8401 1 15 . 1 1 87 87 LEU N N 87 121.447 121.447 122.366 -0.919 25573 8402 1 15 . 1 1 87 87 LEU HA H 87 4.582 4.582 3.934 0.648 25573 8403 1 15 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.648 -0.792 25573 8404 1 15 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.573 -9.748 25573 8405 1 15 . 1 1 87 87 LEU H H 87 7.913 7.913 7.612 0.301 25573 8406 1 15 . 1 1 88 88 LYS N N 88 119.505 119.505 120.253 -0.748 25573 8407 1 15 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.685 0.456 25573 8408 1 15 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.711 -3.641 25573 8409 1 15 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.330 -2.443 25573 8410 1 15 . 1 1 88 88 LYS H H 88 7.970 7.970 7.491 0.479 25573 8411 1 15 . 1 1 89 89 VAL N N 89 119.366 119.366 118.813 0.553 25573 8412 1 15 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.710 0.110 25573 8413 1 15 . 1 1 89 89 VAL CA C 89 56.956 56.956 65.798 -8.842 25573 8414 1 15 . 1 1 89 89 VAL H H 89 8.082 8.082 7.809 0.273 25573 8415 1 15 . 1 1 90 90 PHE N N 90 119.366 119.366 120.577 -1.211 25573 8416 1 15 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.322 0.102 25573 8417 1 15 . 1 1 90 90 PHE CA C 90 55.151 55.151 60.234 -5.083 25573 8418 1 15 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.515 -2.885 25573 8419 1 15 . 1 1 90 90 PHE H H 90 8.104 8.104 7.950 0.154 25573 8420 1 15 . 1 1 91 91 ALA N N 91 118.916 118.916 121.762 -2.846 25573 8421 1 15 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.649 0.867 25573 8422 1 15 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.987 -0.575 25573 8423 1 15 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.015 -2.125 25573 8424 1 15 . 1 1 91 91 ALA H H 91 8.187 8.187 7.527 0.660 25573 8425 1 15 . 1 1 92 92 VAL N N 92 113.741 113.741 118.733 -4.992 25573 8426 1 15 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.709 -0.122 25573 8427 1 15 . 1 1 92 92 VAL CA C 92 63.579 63.579 65.090 -1.511 25573 8428 1 15 . 1 1 92 92 VAL CB C 92 30.792 30.792 30.597 0.195 25573 8429 1 15 . 1 1 92 92 VAL H H 92 8.196 8.196 8.057 0.139 25573 8430 1 15 . 1 1 93 93 ALA N N 93 119.366 119.366 120.680 -1.314 25573 8431 1 15 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.260 0.434 25573 8432 1 15 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.758 -4.477 25573 8433 1 15 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.315 -1.600 25573 8434 1 15 . 1 1 93 93 ALA H H 93 8.564 8.564 8.321 0.243 25573 8435 1 15 . 1 1 94 94 GLY N N 94 104.958 104.958 107.607 -2.649 25573 8436 1 15 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.979 -2.055 25573 8437 1 15 . 1 1 94 94 GLY H H 94 6.940 6.940 7.375 -0.435 25573 8438 1 15 . 1 1 95 95 LEU N N 95 120.679 120.679 121.225 -0.546 25573 8439 1 15 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.109 -0.104 25573 8440 1 15 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.075 -2.671 25573 8441 1 15 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.052 -2.827 25573 8442 1 15 . 1 1 95 95 LEU H H 95 7.724 7.724 7.971 -0.247 25573 8443 1 15 . 1 1 96 96 LEU N N 96 115.261 115.261 116.693 -1.432 25573 8444 1 15 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.361 -0.086 25573 8445 1 15 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.568 -2.298 25573 8446 1 15 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.050 -3.364 25573 8447 1 15 . 1 1 96 96 LEU H H 96 7.723 7.723 7.749 -0.026 25573 8448 1 15 . 1 1 97 97 ASN N N 97 112.672 112.672 115.664 -2.992 25573 8449 1 15 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.446 -0.205 25573 8450 1 15 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.042 -2.842 25573 8451 1 15 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.833 -3.388 25573 8452 1 15 . 1 1 97 97 ASN H H 97 6.694 6.694 7.339 -0.645 25573 8453 1 15 . 1 1 98 98 MET N N 98 115.968 115.968 117.587 -1.619 25573 8454 1 15 . 1 1 98 98 MET HA H 98 4.614 4.614 4.286 0.328 25573 8455 1 15 . 1 1 98 98 MET CA C 98 51.685 51.685 57.008 -5.324 25573 8456 1 15 . 1 1 98 98 MET CB C 98 29.808 29.808 33.254 -3.446 25573 8457 1 15 . 1 1 98 98 MET H H 98 8.168 8.168 7.655 0.513 25573 8458 1 15 . 1 1 99 99 THR N N 99 118.683 118.683 114.476 4.207 25573 8459 1 15 . 1 1 99 99 THR HA H 99 4.184 4.184 4.601 -0.417 25573 8460 1 15 . 1 1 99 99 THR CA C 99 59.813 59.813 61.154 -1.341 25573 8461 1 15 . 1 1 99 99 THR CB C 99 65.438 65.438 67.621 -2.183 25573 8462 1 15 . 1 1 99 99 THR H H 99 8.562 8.562 8.252 0.310 25573 8463 1 15 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.210 -0.091 25573 8464 1 15 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.522 -4.820 25573 8465 1 15 . 1 1 100 100 VAL H H 100 8.392 8.392 7.750 0.642 25573 8466 1 15 . 1 1 101 101 SER N N 101 121.736 121.736 119.045 2.691 25573 8467 1 15 . 1 1 101 101 SER HA H 101 4.645 4.645 5.070 -0.425 25573 8468 1 15 . 1 1 101 101 SER CA C 101 56.852 56.852 58.537 -1.685 25573 8469 1 15 . 1 1 101 101 SER CB C 101 61.739 61.739 64.647 -2.908 25573 8470 1 15 . 1 1 101 101 SER H H 101 8.079 8.079 8.885 -0.806 25573 8471 1 15 . 1 1 102 102 THR N N 102 110.147 110.147 109.554 0.593 25573 8472 1 15 . 1 1 102 102 THR HA H 102 5.450 5.450 4.954 0.496 25573 8473 1 15 . 1 1 102 102 THR CA C 102 56.522 56.522 59.711 -3.189 25573 8474 1 15 . 1 1 102 102 THR CB C 102 71.007 71.007 72.424 -1.417 25573 8475 1 15 . 1 1 102 102 THR H H 102 7.276 7.276 7.248 0.028 25573 8476 1 15 . 1 1 103 103 ALA N N 103 124.013 124.013 127.891 -3.878 25573 8477 1 15 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.036 -0.082 25573 8478 1 15 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.594 -3.317 25573 8479 1 15 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.716 -3.032 25573 8480 1 15 . 1 1 103 103 ALA H H 103 8.433 8.433 8.555 -0.122 25573 8481 1 15 . 1 1 104 104 ALA N N 104 119.649 119.649 120.056 -0.407 25573 8482 1 15 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.127 0.159 25573 8483 1 15 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.379 -2.077 25573 8484 1 15 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.133 -1.613 25573 8485 1 15 . 1 1 104 104 ALA H H 104 8.474 8.474 8.239 0.235 25573 8486 1 15 . 1 1 105 105 ALA N N 105 120.587 120.587 121.183 -0.596 25573 8487 1 15 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.058 0.206 25573 8488 1 15 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.828 -2.631 25573 8489 1 15 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.297 -2.552 25573 8490 1 15 . 1 1 105 105 ALA H H 105 8.050 8.050 7.729 0.321 25573 8491 1 15 . 1 1 106 106 ALA N N 106 121.752 121.752 121.329 0.423 25573 8492 1 15 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.947 -0.680 25573 8493 1 15 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.312 -3.801 25573 8494 1 15 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.176 -2.128 25573 8495 1 15 . 1 1 106 106 ALA H H 106 8.071 8.071 7.858 0.213 25573 8496 1 15 . 1 1 107 107 GLU N N 107 119.133 119.133 119.520 -0.387 25573 8497 1 15 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.983 -0.124 25573 8498 1 15 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.793 -2.458 25573 8499 1 15 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.684 -2.575 25573 8500 1 15 . 1 1 107 107 GLU H H 107 8.711 8.711 7.925 0.786 25573 8501 1 15 . 1 1 108 108 ASN N N 108 118.306 118.306 117.776 0.530 25573 8502 1 15 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.429 0.172 25573 8503 1 15 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.561 -2.590 25573 8504 1 15 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.544 -3.092 25573 8505 1 15 . 1 1 108 108 ASN H H 108 8.045 8.045 8.491 -0.446 25573 8506 1 15 . 1 1 109 109 MET N N 109 120.038 120.038 120.034 0.004 25573 8507 1 15 . 1 1 109 109 MET HA H 109 4.305 4.305 4.279 0.026 25573 8508 1 15 . 1 1 109 109 MET CA C 109 55.602 55.602 57.592 -1.990 25573 8509 1 15 . 1 1 109 109 MET CB C 109 29.771 29.771 32.298 -2.527 25573 8510 1 15 . 1 1 109 109 MET H H 109 8.401 8.401 7.889 0.512 25573 8511 1 15 . 1 1 110 110 TYR N N 110 121.616 121.616 120.004 1.612 25573 8512 1 15 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.164 -0.501 25573 8513 1 15 . 1 1 110 110 TYR CA C 110 58.925 58.925 60.740 -1.815 25573 8514 1 15 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.330 -2.404 25573 8515 1 15 . 1 1 110 110 TYR H H 110 8.651 8.651 8.796 -0.145 25573 8516 1 15 . 1 1 111 111 SER N N 111 110.621 110.621 114.006 -3.385 25573 8517 1 15 . 1 1 111 111 SER HA H 111 4.540 4.540 4.154 0.386 25573 8518 1 15 . 1 1 111 111 SER CA C 111 58.395 58.395 61.132 -2.737 25573 8519 1 15 . 1 1 111 111 SER CB C 111 60.600 60.600 63.352 -2.752 25573 8520 1 15 . 1 1 111 111 SER H H 111 7.394 7.394 8.183 -0.789 25573 8521 1 15 . 1 1 112 112 GLN N N 112 125.643 125.643 121.134 4.509 25573 8522 1 15 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.075 -0.016 25573 8523 1 15 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.366 -2.283 25573 8524 1 15 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.557 -2.912 25573 8525 1 15 . 1 1 112 112 GLN H H 112 8.774 8.774 8.014 0.760 25573 8526 1 15 . 1 1 113 113 MET N N 113 114.866 114.866 115.957 -1.091 25573 8527 1 15 . 1 1 113 113 MET HA H 113 4.275 4.275 4.460 -0.185 25573 8528 1 15 . 1 1 113 113 MET CA C 113 53.246 53.246 55.703 -2.457 25573 8529 1 15 . 1 1 113 113 MET CB C 113 31.365 31.365 33.664 -2.299 25573 8530 1 15 . 1 1 113 113 MET H H 113 8.070 8.070 7.814 0.256 25573 8531 1 15 . 1 1 114 114 GLY N N 114 107.252 107.252 105.951 1.301 25573 8532 1 15 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.189 -2.229 25573 8533 1 15 . 1 1 114 114 GLY H H 114 8.012 8.012 7.774 0.238 25573 8534 1 15 . 1 1 115 115 LEU N N 115 114.939 114.939 117.841 -2.902 25573 8535 1 15 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.264 -0.389 25573 8536 1 15 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.187 -1.978 25573 8537 1 15 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.755 -6.297 25573 8538 1 15 . 1 1 115 115 LEU H H 115 7.447 7.447 7.891 -0.444 25573 8539 1 15 . 1 1 116 116 ASP N N 116 116.423 116.423 119.515 -3.092 25573 8540 1 15 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.695 -0.025 25573 8541 1 15 . 1 1 116 116 ASP CA C 116 52.303 52.303 53.959 -1.656 25573 8542 1 15 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.632 -5.313 25573 8543 1 15 . 1 1 116 116 ASP H H 116 8.518 8.518 7.565 0.953 25573 8544 1 15 . 1 1 117 117 THR N N 117 113.582 113.582 114.432 -0.850 25573 8545 1 15 . 1 1 117 117 THR HA H 117 4.194 4.194 4.495 -0.301 25573 8546 1 15 . 1 1 117 117 THR CA C 117 58.925 58.925 61.663 -2.737 25573 8547 1 15 . 1 1 117 117 THR CB C 117 67.320 67.320 70.583 -3.263 25573 8548 1 15 . 1 1 117 117 THR H H 117 7.240 7.240 8.118 -0.878 25573 8549 1 15 . 1 1 118 118 ARG N N 118 126.068 126.068 122.662 3.406 25573 8550 1 15 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.160 0.406 25573 8551 1 15 . 1 1 118 118 ARG CA C 118 52.343 52.343 55.683 -3.340 25573 8552 1 15 . 1 1 118 118 ARG CB C 118 33.708 33.708 29.564 4.144 25573 8553 1 15 . 1 1 118 118 ARG H H 118 8.711 8.711 8.650 0.061 25573 8554 1 15 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.466 -2.388 25573 8555 1 15 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.760 -2.717 25573 8556 1 15 . 1 1 120 120 SER N N 120 116.251 116.251 114.489 1.762 25573 8557 1 15 . 1 1 120 120 SER HA H 120 4.385 4.385 4.816 -0.431 25573 8558 1 15 . 1 1 120 120 SER CA C 120 55.352 55.352 57.863 -2.511 25573 8559 1 15 . 1 1 120 120 SER CB C 120 61.037 61.037 64.740 -3.704 25573 8560 1 15 . 1 1 120 120 SER H H 120 8.385 8.385 8.596 -0.211 25573 8561 1 15 . 1 1 121 121 MET N N 121 123.171 123.171 121.634 1.537 25573 8562 1 15 . 1 1 121 121 MET HA H 121 4.289 4.289 4.684 -0.395 25573 8563 1 15 . 1 1 121 121 MET CA C 121 53.282 53.282 55.581 -2.299 25573 8564 1 15 . 1 1 121 121 MET CB C 121 30.755 30.755 34.188 -3.433 25573 8565 1 15 . 1 1 121 121 MET H H 121 8.297 8.297 8.427 -0.130 25573 8566 1 15 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.701 -0.443 25573 8567 1 15 . 1 1 122 122 LYS CA C 122 53.669 53.669 55.515 -1.846 25573 8568 1 15 . 1 1 123 123 GLU N N 123 122.135 122.135 119.700 2.435 25573 8569 1 15 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.157 -8.254 25573 8570 1 15 . 1 1 123 123 GLU CB C 123 30.404 30.404 30.109 0.295 25573 8571 1 15 . 1 1 123 123 GLU H H 123 8.505 8.505 8.477 0.028 25573 8572 1 15 . 1 1 124 124 ALA N N 124 125.340 125.340 122.318 3.022 25573 8573 1 15 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.416 -0.085 25573 8574 1 15 . 1 1 124 124 ALA CA C 124 49.833 49.833 51.890 -2.057 25573 8575 1 15 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.287 -3.622 25573 8576 1 15 . 1 1 124 124 ALA H H 124 8.422 8.422 8.100 0.322 25573 8577 1 15 . 1 1 125 125 GLY N N 125 108.426 108.426 110.059 -1.633 25573 8578 1 15 . 1 1 125 125 GLY CA C 125 42.741 42.741 46.196 -3.454 25573 8579 1 15 . 1 1 125 125 GLY H H 125 8.401 8.401 8.419 -0.018 25573 8580 1 15 . 1 1 126 126 GLY N N 126 109.792 109.792 109.775 0.017 25573 8581 1 15 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.581 -2.334 25573 8582 1 15 . 1 1 126 126 GLY H H 126 8.515 8.515 7.864 0.651 25573 8583 1 15 . 1 1 127 127 LYS N N 127 120.366 120.366 121.486 -1.120 25573 8584 1 15 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.679 -0.358 25573 8585 1 15 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.827 -2.283 25573 8586 1 15 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.691 -3.338 25573 8587 1 15 . 1 1 127 127 LYS H H 127 8.244 8.244 8.244 -0.000 25573 8588 1 15 . 1 1 128 128 GLU N N 128 122.270 122.270 124.700 -2.430 25573 8589 1 15 . 1 1 128 128 GLU CA C 128 56.044 56.044 55.942 0.102 25573 8590 1 15 . 1 1 128 128 GLU H H 128 8.559 8.559 8.491 0.068 25573 8591 1 15 . 1 1 129 129 GLU N N 129 122.282 122.282 121.858 0.424 25573 8592 1 15 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.320 0.216 25573 8593 1 15 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.644 -0.455 25573 8594 1 15 . 1 1 129 129 GLU H H 129 8.027 8.027 8.579 -0.552 25573 8595 1 15 . 1 1 130 130 GLY N N 130 110.258 110.258 109.481 0.777 25573 8596 1 15 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.311 -2.650 25573 8597 1 15 . 1 1 130 130 GLY H H 130 10.190 10.190 8.596 1.594 25573 8598 1 15 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.340 0.039 25573 8599 1 15 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.458 -2.989 25573 8600 1 15 . 1 1 132 132 PRO CB C 132 29.231 29.231 31.384 -2.153 25573 8601 1 15 . 1 1 133 133 GLN N N 133 119.932 119.932 121.010 -1.078 25573 8602 1 15 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.006 0.313 25573 8603 1 15 . 1 1 133 133 GLN CA C 133 53.249 53.249 56.644 -3.395 25573 8604 1 15 . 1 1 133 133 GLN CB C 133 29.655 29.655 28.916 0.739 25573 8605 1 15 . 1 1 133 133 GLN H H 133 8.478 8.478 8.444 0.034 25573 8606 1 15 . 1 1 134 134 ALA N N 134 124.828 124.828 121.847 2.981 25573 8607 1 15 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.652 -0.403 25573 8608 1 15 . 1 1 134 134 ALA CA C 134 49.692 49.692 51.724 -2.032 25573 8609 1 15 . 1 1 134 134 ALA CB C 134 16.024 16.024 20.535 -4.511 25573 8610 1 15 . 1 1 134 134 ALA H H 134 8.263 8.263 8.243 0.020 25573 8611 1 16 . 1 1 3 3 ASN N N 3 119.366 119.366 119.645 -0.279 25573 8612 1 16 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.412 0.171 25573 8613 1 16 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.583 -2.192 25573 8614 1 16 . 1 1 3 3 ASN CB C 3 35.712 35.712 37.563 -1.851 25573 8615 1 16 . 1 1 3 3 ASN H H 3 8.596 8.596 8.369 0.227 25573 8616 1 16 . 1 1 4 4 GLY N N 4 112.829 112.829 108.544 4.285 25573 8617 1 16 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.092 -2.389 25573 8618 1 16 . 1 1 4 4 GLY H H 4 8.073 8.073 8.128 -0.055 25573 8619 1 16 . 1 1 5 5 ALA N N 5 123.630 123.630 124.735 -1.105 25573 8620 1 16 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.113 0.290 25573 8621 1 16 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.242 -2.602 25573 8622 1 16 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.024 -2.610 25573 8623 1 16 . 1 1 5 5 ALA H H 5 8.008 8.008 8.187 -0.179 25573 8624 1 16 . 1 1 6 6 SER N N 6 114.866 114.866 118.834 -3.968 25573 8625 1 16 . 1 1 6 6 SER HA H 6 4.270 4.270 4.623 -0.353 25573 8626 1 16 . 1 1 6 6 SER CA C 6 56.023 56.023 57.810 -1.788 25573 8627 1 16 . 1 1 6 6 SER CB C 6 60.936 60.936 63.397 -2.461 25573 8628 1 16 . 1 1 6 6 SER H H 6 8.293 8.293 8.538 -0.245 25573 8629 1 16 . 1 1 7 7 ARG N N 7 119.250 119.250 126.834 -7.584 25573 8630 1 16 . 1 1 7 7 ARG CA C 7 59.506 59.506 60.508 -1.002 25573 8631 1 16 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.312 0.110 25573 8632 1 16 . 1 1 7 7 ARG H H 7 8.305 8.305 8.271 0.034 25573 8633 1 16 . 1 1 8 8 ASP N N 8 119.662 119.662 119.563 0.099 25573 8634 1 16 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.395 -0.242 25573 8635 1 16 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.168 -1.614 25573 8636 1 16 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.034 -13.533 25573 8637 1 16 . 1 1 8 8 ASP H H 8 7.915 7.915 8.667 -0.752 25573 8638 1 16 . 1 1 9 9 TRP N N 9 121.861 121.861 121.647 0.214 25573 8639 1 16 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.490 -0.374 25573 8640 1 16 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.975 -4.013 25573 8641 1 16 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.802 -1.780 25573 8642 1 16 . 1 1 9 9 TRP H H 9 8.222 8.222 7.912 0.310 25573 8643 1 16 . 1 1 10 10 LYS N N 10 118.681 118.681 118.853 -0.172 25573 8644 1 16 . 1 1 10 10 LYS HA H 10 4.282 4.282 4.085 0.197 25573 8645 1 16 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.373 -0.474 25573 8646 1 16 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.000 -3.961 25573 8647 1 16 . 1 1 10 10 LYS H H 10 8.003 8.003 8.521 -0.518 25573 8648 1 16 . 1 1 11 11 MET N N 11 119.366 119.366 118.234 1.132 25573 8649 1 16 . 1 1 11 11 MET HA H 11 4.559 4.559 4.268 0.291 25573 8650 1 16 . 1 1 11 11 MET CA C 11 53.485 53.485 58.449 -4.964 25573 8651 1 16 . 1 1 11 11 MET H H 11 8.041 8.041 8.429 -0.388 25573 8652 1 16 . 1 1 12 12 ALA N N 12 122.650 122.650 123.028 -0.378 25573 8653 1 16 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.032 0.177 25573 8654 1 16 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.961 4.838 25573 8655 1 16 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.175 -0.403 25573 8656 1 16 . 1 1 12 12 ALA H H 12 7.904 7.904 7.788 0.116 25573 8657 1 16 . 1 1 13 13 ILE N N 13 117.322 117.322 118.652 -1.330 25573 8658 1 16 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.502 1.076 25573 8659 1 16 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.678 -7.775 25573 8660 1 16 . 1 1 13 13 ILE H H 13 8.380 8.380 7.792 0.588 25573 8661 1 16 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.787 1.129 25573 8662 1 16 . 1 1 16 16 CYS N N 16 116.263 116.263 119.603 -3.340 25573 8663 1 16 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.233 -0.188 25573 8664 1 16 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.539 -1.755 25573 8665 1 16 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.943 1.867 25573 8666 1 16 . 1 1 16 16 CYS H H 16 7.799 7.799 8.103 -0.304 25573 8667 1 16 . 1 1 17 17 SER N N 17 114.606 114.606 116.027 -1.421 25573 8668 1 16 . 1 1 17 17 SER HA H 17 4.952 4.952 4.489 0.463 25573 8669 1 16 . 1 1 17 17 SER CA C 17 58.171 58.171 61.443 -3.272 25573 8670 1 16 . 1 1 17 17 SER CB C 17 60.740 60.740 63.034 -2.294 25573 8671 1 16 . 1 1 17 17 SER H H 17 7.830 7.830 7.943 -0.113 25573 8672 1 16 . 1 1 18 18 ASN N N 18 116.143 116.143 119.112 -2.969 25573 8673 1 16 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.820 0.188 25573 8674 1 16 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.090 -2.615 25573 8675 1 16 . 1 1 18 18 ASN CB C 18 37.289 37.289 39.141 -1.852 25573 8676 1 16 . 1 1 18 18 ASN H H 18 7.557 7.557 7.700 -0.143 25573 8677 1 16 . 1 1 19 19 VAL N N 19 121.616 121.616 118.223 3.393 25573 8678 1 16 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.285 -0.786 25573 8679 1 16 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.551 -0.821 25573 8680 1 16 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.723 -5.681 25573 8681 1 16 . 1 1 19 19 VAL H H 19 7.919 7.919 7.721 0.198 25573 8682 1 16 . 1 1 20 20 ALA N N 20 129.139 129.139 128.052 1.087 25573 8683 1 16 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.725 0.070 25573 8684 1 16 . 1 1 20 20 ALA C C 20 169.500 169.500 178.260 -8.760 25573 8685 1 16 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.718 -1.303 25573 8686 1 16 . 1 1 20 20 ALA CB C 20 17.716 17.716 20.239 -2.523 25573 8687 1 16 . 1 1 20 20 ALA H H 20 8.150 8.150 8.194 -0.044 25573 8688 1 16 . 1 1 21 21 VAL N N 21 120.390 120.390 121.964 -1.574 25573 8689 1 16 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.839 -0.072 25573 8690 1 16 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.360 -0.782 25573 8691 1 16 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.188 -1.442 25573 8692 1 16 . 1 1 21 21 VAL H H 21 8.319 8.319 8.021 0.298 25573 8693 1 16 . 1 1 22 22 GLY N N 22 108.884 108.884 104.965 3.919 25573 8694 1 16 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.028 -2.060 25573 8695 1 16 . 1 1 22 22 GLY H H 22 8.221 8.221 7.276 0.945 25573 8696 1 16 . 1 1 23 23 VAL N N 23 117.439 117.439 117.796 -0.357 25573 8697 1 16 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.134 0.104 25573 8698 1 16 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.717 -4.629 25573 8699 1 16 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.207 -1.773 25573 8700 1 16 . 1 1 23 23 VAL H H 23 8.003 8.003 8.601 -0.598 25573 8701 1 16 . 1 1 24 24 GLY N N 24 112.616 112.616 106.903 5.713 25573 8702 1 16 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.918 -2.139 25573 8703 1 16 . 1 1 24 24 GLY H H 24 8.716 8.716 7.897 0.819 25573 8704 1 16 . 1 1 25 25 GLY N N 25 108.753 108.753 108.124 0.629 25573 8705 1 16 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.469 -2.469 25573 8706 1 16 . 1 1 25 25 GLY H H 25 8.286 8.286 7.895 0.391 25573 8707 1 16 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.009 0.367 25573 8708 1 16 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.769 -3.257 25573 8709 1 16 . 1 1 27 27 SER HA H 27 4.922 4.922 4.482 0.440 25573 8710 1 16 . 1 1 27 27 SER CA C 27 56.876 56.876 58.103 -1.227 25573 8711 1 16 . 1 1 27 27 SER CB C 27 64.578 64.578 62.097 2.481 25573 8712 1 16 . 1 1 27 27 SER H H 27 7.831 7.831 8.420 -0.589 25573 8713 1 16 . 1 1 28 28 LYS N N 28 122.919 122.919 122.758 0.161 25573 8714 1 16 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.516 -0.332 25573 8715 1 16 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.517 1.022 25573 8716 1 16 . 1 1 28 28 LYS CB C 28 33.366 33.366 36.251 -2.885 25573 8717 1 16 . 1 1 28 28 LYS H H 28 8.589 8.589 7.763 0.826 25573 8718 1 16 . 1 1 29 29 LYS N N 29 120.917 120.917 121.580 -0.663 25573 8719 1 16 . 1 1 29 29 LYS HA H 29 4.383 4.383 5.088 -0.705 25573 8720 1 16 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.753 -2.218 25573 8721 1 16 . 1 1 29 29 LYS CB C 29 32.076 32.076 33.558 -1.482 25573 8722 1 16 . 1 1 29 29 LYS H H 29 8.471 8.471 8.205 0.266 25573 8723 1 16 . 1 1 30 30 PHE N N 30 119.366 119.366 121.469 -2.103 25573 8724 1 16 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.449 -0.591 25573 8725 1 16 . 1 1 30 30 PHE CA C 30 58.172 58.172 58.586 -0.414 25573 8726 1 16 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.657 -2.415 25573 8727 1 16 . 1 1 30 30 PHE H H 30 8.000 8.000 8.364 -0.364 25573 8728 1 16 . 1 1 31 31 GLY N N 31 106.991 106.991 105.330 1.661 25573 8729 1 16 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.121 -3.185 25573 8730 1 16 . 1 1 31 31 GLY H H 31 8.404 8.404 7.474 0.930 25573 8731 1 16 . 1 1 32 32 GLU N N 32 120.491 120.491 120.843 -0.352 25573 8732 1 16 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.043 0.069 25573 8733 1 16 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.660 -1.489 25573 8734 1 16 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.501 -2.195 25573 8735 1 16 . 1 1 32 32 GLU H H 32 9.168 9.168 8.837 0.331 25573 8736 1 16 . 1 1 33 33 GLY N N 33 109.241 109.241 107.433 1.808 25573 8737 1 16 . 1 1 33 33 GLY CA C 33 43.591 43.591 47.112 -3.521 25573 8738 1 16 . 1 1 33 33 GLY H H 33 8.613 8.613 8.537 0.076 25573 8739 1 16 . 1 1 34 34 ASN N N 34 118.241 118.241 120.405 -2.164 25573 8740 1 16 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.453 -0.415 25573 8741 1 16 . 1 1 34 34 ASN CA C 34 54.463 54.463 56.241 -1.778 25573 8742 1 16 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.226 -1.832 25573 8743 1 16 . 1 1 34 34 ASN H H 34 7.897 7.897 8.007 -0.110 25573 8744 1 16 . 1 1 35 35 PHE N N 35 117.116 117.116 118.854 -1.738 25573 8745 1 16 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.121 -0.033 25573 8746 1 16 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.241 -0.929 25573 8747 1 16 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.434 -1.605 25573 8748 1 16 . 1 1 35 35 PHE H H 35 7.180 7.180 7.397 -0.217 25573 8749 1 16 . 1 1 36 36 ARG N N 36 117.825 117.825 119.121 -1.296 25573 8750 1 16 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.024 -0.452 25573 8751 1 16 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.826 -1.584 25573 8752 1 16 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.728 4.269 25573 8753 1 16 . 1 1 36 36 ARG H H 36 8.278 8.278 8.157 0.121 25573 8754 1 16 . 1 1 37 37 TRP N N 37 118.845 118.845 121.498 -2.653 25573 8755 1 16 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.234 -0.100 25573 8756 1 16 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.180 -2.280 25573 8757 1 16 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.285 -1.836 25573 8758 1 16 . 1 1 37 37 TRP H H 37 8.106 8.106 8.029 0.077 25573 8759 1 16 . 1 1 38 38 ALA N N 38 119.609 119.609 122.938 -3.329 25573 8760 1 16 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.778 0.651 25573 8761 1 16 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.895 -2.001 25573 8762 1 16 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.655 -2.256 25573 8763 1 16 . 1 1 38 38 ALA H H 38 8.332 8.332 7.998 0.334 25573 8764 1 16 . 1 1 39 39 ILE N N 39 114.866 114.866 119.878 -5.012 25573 8765 1 16 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.551 0.813 25573 8766 1 16 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.004 -10.420 25573 8767 1 16 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.755 -6.263 25573 8768 1 16 . 1 1 39 39 ILE H H 39 8.161 8.161 8.365 -0.204 25573 8769 1 16 . 1 1 40 40 ARG N N 40 120.240 120.240 119.068 1.172 25573 8770 1 16 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.748 0.318 25573 8771 1 16 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.903 -3.264 25573 8772 1 16 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.062 -0.253 25573 8773 1 16 . 1 1 40 40 ARG H H 40 8.446 8.446 8.294 0.152 25573 8774 1 16 . 1 1 41 41 MET HA H 41 4.305 4.305 3.891 0.414 25573 8775 1 16 . 1 1 41 41 MET CA C 41 53.585 53.585 58.299 -4.714 25573 8776 1 16 . 1 1 41 41 MET CB C 41 29.902 29.902 31.732 -1.830 25573 8777 1 16 . 1 1 42 42 ALA N N 42 122.782 122.782 121.239 1.543 25573 8778 1 16 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.900 0.648 25573 8779 1 16 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.122 -2.846 25573 8780 1 16 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.265 -1.405 25573 8781 1 16 . 1 1 42 42 ALA H H 42 8.556 8.556 7.947 0.609 25573 8782 1 16 . 1 1 43 43 ASN N N 43 119.366 119.366 116.964 2.402 25573 8783 1 16 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.447 0.247 25573 8784 1 16 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.383 -6.045 25573 8785 1 16 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.564 -2.873 25573 8786 1 16 . 1 1 43 43 ASN H H 43 8.613 8.613 8.200 0.413 25573 8787 1 16 . 1 1 44 44 VAL N N 44 118.466 118.466 119.095 -0.629 25573 8788 1 16 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.817 0.082 25573 8789 1 16 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.975 -2.881 25573 8790 1 16 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.194 -2.272 25573 8791 1 16 . 1 1 44 44 VAL H H 44 8.464 8.464 7.748 0.716 25573 8792 1 16 . 1 1 45 45 SER N N 45 113.763 113.763 115.188 -1.425 25573 8793 1 16 . 1 1 45 45 SER HA H 45 4.328 4.328 4.092 0.236 25573 8794 1 16 . 1 1 45 45 SER CA C 45 58.553 58.553 61.455 -2.902 25573 8795 1 16 . 1 1 45 45 SER CB C 45 61.343 61.343 63.501 -2.158 25573 8796 1 16 . 1 1 45 45 SER H H 45 7.963 7.963 7.952 0.011 25573 8797 1 16 . 1 1 46 46 THR N N 46 106.729 106.729 110.079 -3.350 25573 8798 1 16 . 1 1 46 46 THR HA H 46 4.602 4.602 4.524 0.078 25573 8799 1 16 . 1 1 46 46 THR CA C 46 58.026 58.026 60.947 -2.921 25573 8800 1 16 . 1 1 46 46 THR CB C 46 67.285 67.285 68.990 -1.705 25573 8801 1 16 . 1 1 46 46 THR H H 46 7.560 7.560 7.870 -0.310 25573 8802 1 16 . 1 1 47 47 GLY N N 47 109.384 109.384 110.543 -1.159 25573 8803 1 16 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.826 -2.017 25573 8804 1 16 . 1 1 47 47 GLY H H 47 7.539 7.539 7.914 -0.375 25573 8805 1 16 . 1 1 48 48 ARG N N 48 120.563 120.563 120.405 0.158 25573 8806 1 16 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.903 0.450 25573 8807 1 16 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.961 -4.622 25573 8808 1 16 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.178 0.582 25573 8809 1 16 . 1 1 48 48 ARG H H 48 8.220 8.220 7.816 0.404 25573 8810 1 16 . 1 1 49 49 GLU N N 49 122.874 122.874 116.910 5.964 25573 8811 1 16 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.523 -0.201 25573 8812 1 16 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.554 -0.420 25573 8813 1 16 . 1 1 49 49 GLU CB C 49 29.104 29.104 31.875 -2.771 25573 8814 1 16 . 1 1 49 49 GLU H H 49 8.661 8.661 7.915 0.746 25573 8815 1 16 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.874 2.019 25573 8816 1 16 . 1 1 51 51 GLY N N 51 102.859 102.859 108.904 -6.045 25573 8817 1 16 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.060 -2.983 25573 8818 1 16 . 1 1 51 51 GLY H H 51 8.368 8.368 8.289 0.079 25573 8819 1 16 . 1 1 52 52 ASP N N 52 120.491 120.491 122.138 -1.647 25573 8820 1 16 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.646 -0.266 25573 8821 1 16 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.889 -2.208 25573 8822 1 16 . 1 1 52 52 ASP CB C 52 37.801 37.801 41.849 -4.048 25573 8823 1 16 . 1 1 52 52 ASP H H 52 7.204 7.204 7.837 -0.633 25573 8824 1 16 . 1 1 53 53 ILE N N 53 127.662 127.662 120.760 6.902 25573 8825 1 16 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.530 -0.000 25573 8826 1 16 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.712 -4.585 25573 8827 1 16 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.474 -2.979 25573 8828 1 16 . 1 1 53 53 ILE H H 53 8.255 8.255 7.692 0.563 25573 8829 1 16 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.480 0.006 25573 8830 1 16 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.626 -2.507 25573 8831 1 16 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.348 -3.553 25573 8832 1 16 . 1 1 55 55 GLU N N 55 117.116 117.116 121.088 -3.972 25573 8833 1 16 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.461 0.045 25573 8834 1 16 . 1 1 55 55 GLU CA C 55 54.283 54.283 55.701 -1.418 25573 8835 1 16 . 1 1 55 55 GLU CB C 55 29.682 29.682 28.377 1.305 25573 8836 1 16 . 1 1 55 55 GLU H H 55 8.580 8.580 8.538 0.042 25573 8837 1 16 . 1 1 56 56 THR N N 56 105.122 105.122 111.937 -6.815 25573 8838 1 16 . 1 1 56 56 THR HA H 56 4.832 4.832 4.540 0.292 25573 8839 1 16 . 1 1 56 56 THR CA C 56 55.381 55.381 61.245 -5.864 25573 8840 1 16 . 1 1 56 56 THR CB C 56 70.771 70.771 72.051 -1.280 25573 8841 1 16 . 1 1 56 56 THR H H 56 7.367 7.367 7.572 -0.205 25573 8842 1 16 . 1 1 57 57 LEU N N 57 122.564 122.564 125.712 -3.148 25573 8843 1 16 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.009 0.423 25573 8844 1 16 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.029 -2.620 25573 8845 1 16 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.388 -3.527 25573 8846 1 16 . 1 1 57 57 LEU H H 57 9.222 9.222 8.878 0.344 25573 8847 1 16 . 1 1 58 58 ASP N N 58 119.366 119.366 118.637 0.729 25573 8848 1 16 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.221 1.059 25573 8849 1 16 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.520 -3.163 25573 8850 1 16 . 1 1 58 58 ASP H H 58 8.570 8.570 8.567 0.003 25573 8851 1 16 . 1 1 59 59 GLN N N 59 118.241 118.241 119.319 -1.078 25573 8852 1 16 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.102 -0.070 25573 8853 1 16 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.698 -2.781 25573 8854 1 16 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.883 -2.809 25573 8855 1 16 . 1 1 59 59 GLN H H 59 7.823 7.823 7.617 0.206 25573 8856 1 16 . 1 1 60 60 LEU N N 60 121.691 121.691 121.993 -0.302 25573 8857 1 16 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.932 0.147 25573 8858 1 16 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.704 -3.433 25573 8859 1 16 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.878 5.759 25573 8860 1 16 . 1 1 60 60 LEU H H 60 8.187 8.187 8.333 -0.146 25573 8861 1 16 . 1 1 61 61 ARG N N 61 117.960 117.960 119.001 -1.041 25573 8862 1 16 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.100 -0.034 25573 8863 1 16 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.567 -3.385 25573 8864 1 16 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.132 -1.216 25573 8865 1 16 . 1 1 61 61 ARG H H 61 9.133 9.133 8.154 0.979 25573 8866 1 16 . 1 1 62 62 LEU N N 62 118.408 118.408 119.987 -1.579 25573 8867 1 16 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.158 -0.132 25573 8868 1 16 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.393 -1.313 25573 8869 1 16 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.247 -2.883 25573 8870 1 16 . 1 1 62 62 LEU H H 62 7.817 7.817 7.797 0.020 25573 8871 1 16 . 1 1 63 63 VAL N N 63 119.177 119.177 119.572 -0.395 25573 8872 1 16 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.625 -0.088 25573 8873 1 16 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.360 -2.859 25573 8874 1 16 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.190 -2.306 25573 8875 1 16 . 1 1 63 63 VAL H H 63 7.368 7.368 8.352 -0.984 25573 8876 1 16 . 1 1 64 64 ILE N N 64 119.068 119.068 120.081 -1.013 25573 8877 1 16 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.642 -0.102 25573 8878 1 16 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.871 -1.389 25573 8879 1 16 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.730 -3.018 25573 8880 1 16 . 1 1 64 64 ILE H H 64 8.320 8.320 7.786 0.534 25573 8881 1 16 . 1 1 65 65 CYS N N 65 119.131 119.131 119.085 0.046 25573 8882 1 16 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.087 0.243 25573 8883 1 16 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.897 -1.989 25573 8884 1 16 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.556 -3.664 25573 8885 1 16 . 1 1 65 65 CYS H H 65 9.076 9.076 7.931 1.145 25573 8886 1 16 . 1 1 66 66 ASP N N 66 120.537 120.537 121.199 -0.662 25573 8887 1 16 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.411 -0.099 25573 8888 1 16 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.176 0.588 25573 8889 1 16 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.815 -2.630 25573 8890 1 16 . 1 1 66 66 ASP H H 66 8.512 8.512 8.462 0.050 25573 8891 1 16 . 1 1 67 67 LEU N N 67 119.364 119.364 120.974 -1.610 25573 8892 1 16 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.940 0.030 25573 8893 1 16 . 1 1 67 67 LEU CA C 67 56.986 56.986 57.919 -0.933 25573 8894 1 16 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.971 -9.225 25573 8895 1 16 . 1 1 67 67 LEU H H 67 8.971 8.971 8.123 0.848 25573 8896 1 16 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.042 0.387 25573 8897 1 16 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.528 -3.763 25573 8898 1 16 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.389 0.412 25573 8899 1 16 . 1 1 70 70 ARG N N 70 122.186 122.186 119.465 2.721 25573 8900 1 16 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.065 0.421 25573 8901 1 16 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.475 -6.942 25573 8902 1 16 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.298 0.043 25573 8903 1 16 . 1 1 70 70 ARG H H 70 8.345 8.345 8.164 0.181 25573 8904 1 16 . 1 1 71 71 ARG N N 71 121.616 121.616 118.388 3.228 25573 8905 1 16 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.057 -1.433 25573 8906 1 16 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.672 -4.493 25573 8907 1 16 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.532 0.475 25573 8908 1 16 . 1 1 71 71 ARG H H 71 8.480 8.480 8.286 0.194 25573 8909 1 16 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.046 0.026 25573 8910 1 16 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.940 -2.964 25573 8911 1 16 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.408 -1.656 25573 8912 1 16 . 1 1 74 74 PHE N N 74 115.001 115.001 118.038 -3.037 25573 8913 1 16 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.301 0.521 25573 8914 1 16 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.141 -4.020 25573 8915 1 16 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.633 -3.046 25573 8916 1 16 . 1 1 74 74 PHE H H 74 8.530 8.530 7.764 0.766 25573 8917 1 16 . 1 1 75 75 GLY N N 75 110.366 110.366 105.666 4.700 25573 8918 1 16 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.411 -2.407 25573 8919 1 16 . 1 1 75 75 GLY H H 75 7.799 7.799 7.521 0.278 25573 8920 1 16 . 1 1 76 76 SER N N 76 113.283 113.283 113.581 -0.298 25573 8921 1 16 . 1 1 76 76 SER HA H 76 4.523 4.523 4.975 -0.452 25573 8922 1 16 . 1 1 76 76 SER CA C 76 54.361 54.361 57.666 -3.305 25573 8923 1 16 . 1 1 76 76 SER CB C 76 61.887 61.887 64.438 -2.551 25573 8924 1 16 . 1 1 76 76 SER H H 76 8.417 8.417 8.418 -0.001 25573 8925 1 16 . 1 1 77 77 SER N N 77 114.950 114.950 118.151 -3.201 25573 8926 1 16 . 1 1 77 77 SER HA H 77 4.535 4.535 4.683 -0.148 25573 8927 1 16 . 1 1 77 77 SER CA C 77 53.833 53.833 56.928 -3.095 25573 8928 1 16 . 1 1 77 77 SER CB C 77 63.488 63.488 65.398 -1.910 25573 8929 1 16 . 1 1 77 77 SER H H 77 8.428 8.428 8.192 0.236 25573 8930 1 16 . 1 1 78 78 LYS N N 78 122.032 122.032 124.720 -2.688 25573 8931 1 16 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.037 0.638 25573 8932 1 16 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.263 -5.136 25573 8933 1 16 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.254 -3.019 25573 8934 1 16 . 1 1 78 78 LYS H H 78 9.044 9.044 8.983 0.061 25573 8935 1 16 . 1 1 79 79 GLU N N 79 118.232 118.232 119.105 -0.873 25573 8936 1 16 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.349 -0.057 25573 8937 1 16 . 1 1 79 79 GLU CA C 79 58.104 58.104 60.035 -1.931 25573 8938 1 16 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.533 -2.687 25573 8939 1 16 . 1 1 79 79 GLU H H 79 8.795 8.795 8.065 0.730 25573 8940 1 16 . 1 1 80 80 ILE N N 80 120.491 120.491 120.724 -0.233 25573 8941 1 16 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.729 0.000 25573 8942 1 16 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.745 -3.279 25573 8943 1 16 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.947 -1.839 25573 8944 1 16 . 1 1 80 80 ILE H H 80 7.892 7.892 7.846 0.046 25573 8945 1 16 . 1 1 81 81 ASP N N 81 120.491 120.491 120.005 0.486 25573 8946 1 16 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.356 -0.050 25573 8947 1 16 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.420 -2.046 25573 8948 1 16 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.857 -3.481 25573 8949 1 16 . 1 1 81 81 ASP H H 81 8.424 8.424 8.434 -0.010 25573 8950 1 16 . 1 1 82 82 MET N N 82 118.588 118.588 119.673 -1.085 25573 8951 1 16 . 1 1 82 82 MET HA H 82 4.610 4.610 4.177 0.433 25573 8952 1 16 . 1 1 82 82 MET CA C 82 54.472 54.472 59.435 -4.963 25573 8953 1 16 . 1 1 82 82 MET CB C 82 29.557 29.557 32.480 -2.923 25573 8954 1 16 . 1 1 82 82 MET H H 82 8.215 8.215 8.153 0.062 25573 8955 1 16 . 1 1 83 83 ALA N N 83 127.525 127.525 123.464 4.061 25573 8956 1 16 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.186 -0.087 25573 8957 1 16 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.153 -1.245 25573 8958 1 16 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.237 -3.427 25573 8959 1 16 . 1 1 83 83 ALA H H 83 10.165 10.165 7.869 2.296 25573 8960 1 16 . 1 1 84 84 ILE N N 84 115.968 115.968 118.275 -2.307 25573 8961 1 16 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.614 -0.080 25573 8962 1 16 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.294 -0.917 25573 8963 1 16 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.875 -2.458 25573 8964 1 16 . 1 1 84 84 ILE H H 84 8.437 8.437 7.803 0.634 25573 8965 1 16 . 1 1 85 85 VAL N N 85 117.106 117.106 120.171 -3.065 25573 8966 1 16 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.547 0.498 25573 8967 1 16 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.190 -11.265 25573 8968 1 16 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.630 -2.445 25573 8969 1 16 . 1 1 85 85 VAL H H 85 7.835 7.835 7.879 -0.044 25573 8970 1 16 . 1 1 86 86 THR N N 86 116.673 116.673 114.501 2.172 25573 8971 1 16 . 1 1 86 86 THR HA H 86 4.181 4.181 3.858 0.323 25573 8972 1 16 . 1 1 86 86 THR CA C 86 59.627 59.627 66.498 -6.870 25573 8973 1 16 . 1 1 86 86 THR CB C 86 65.856 65.856 68.626 -2.770 25573 8974 1 16 . 1 1 86 86 THR H H 86 8.254 8.254 8.306 -0.052 25573 8975 1 16 . 1 1 87 87 LEU N N 87 121.447 121.447 121.233 0.214 25573 8976 1 16 . 1 1 87 87 LEU HA H 87 4.582 4.582 3.977 0.605 25573 8977 1 16 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.671 -0.815 25573 8978 1 16 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.592 -9.767 25573 8979 1 16 . 1 1 87 87 LEU H H 87 7.913 7.913 7.835 0.078 25573 8980 1 16 . 1 1 88 88 LYS N N 88 119.505 119.505 119.504 0.001 25573 8981 1 16 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.711 0.430 25573 8982 1 16 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.059 -2.989 25573 8983 1 16 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.190 -2.303 25573 8984 1 16 . 1 1 88 88 LYS H H 88 7.970 7.970 7.616 0.354 25573 8985 1 16 . 1 1 89 89 VAL N N 89 119.366 119.366 117.184 2.182 25573 8986 1 16 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.569 0.251 25573 8987 1 16 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.293 -9.337 25573 8988 1 16 . 1 1 89 89 VAL H H 89 8.082 8.082 7.821 0.261 25573 8989 1 16 . 1 1 90 90 PHE N N 90 119.366 119.366 120.677 -1.311 25573 8990 1 16 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.927 0.497 25573 8991 1 16 . 1 1 90 90 PHE CA C 90 55.151 55.151 58.603 -3.452 25573 8992 1 16 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.498 -2.868 25573 8993 1 16 . 1 1 90 90 PHE H H 90 8.104 8.104 8.348 -0.244 25573 8994 1 16 . 1 1 91 91 ALA N N 91 118.916 118.916 122.035 -3.119 25573 8995 1 16 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.601 0.915 25573 8996 1 16 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.976 -0.564 25573 8997 1 16 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.026 -2.136 25573 8998 1 16 . 1 1 91 91 ALA H H 91 8.187 8.187 7.420 0.767 25573 8999 1 16 . 1 1 92 92 VAL N N 92 113.741 113.741 118.363 -4.622 25573 9000 1 16 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.722 -0.135 25573 9001 1 16 . 1 1 92 92 VAL CA C 92 63.579 63.579 65.684 -2.105 25573 9002 1 16 . 1 1 92 92 VAL CB C 92 30.792 30.792 30.790 0.002 25573 9003 1 16 . 1 1 92 92 VAL H H 92 8.196 8.196 8.006 0.190 25573 9004 1 16 . 1 1 93 93 ALA N N 93 119.366 119.366 120.483 -1.117 25573 9005 1 16 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.267 0.427 25573 9006 1 16 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.679 -4.398 25573 9007 1 16 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.281 -1.566 25573 9008 1 16 . 1 1 93 93 ALA H H 93 8.564 8.564 8.210 0.354 25573 9009 1 16 . 1 1 94 94 GLY N N 94 104.958 104.958 107.587 -2.629 25573 9010 1 16 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.731 -1.807 25573 9011 1 16 . 1 1 94 94 GLY H H 94 6.940 6.940 7.360 -0.420 25573 9012 1 16 . 1 1 95 95 LEU N N 95 120.679 120.679 120.743 -0.064 25573 9013 1 16 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.070 -0.065 25573 9014 1 16 . 1 1 95 95 LEU CA C 95 54.404 54.404 56.803 -2.399 25573 9015 1 16 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.433 -3.208 25573 9016 1 16 . 1 1 95 95 LEU H H 95 7.724 7.724 7.706 0.018 25573 9017 1 16 . 1 1 96 96 LEU N N 96 115.261 115.261 117.969 -2.708 25573 9018 1 16 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.350 -0.075 25573 9019 1 16 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.540 -2.270 25573 9020 1 16 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.610 -2.924 25573 9021 1 16 . 1 1 96 96 LEU H H 96 7.723 7.723 7.652 0.071 25573 9022 1 16 . 1 1 97 97 ASN N N 97 112.672 112.672 114.761 -2.089 25573 9023 1 16 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.531 -0.290 25573 9024 1 16 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.393 -3.193 25573 9025 1 16 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.555 -3.110 25573 9026 1 16 . 1 1 97 97 ASN H H 97 6.694 6.694 7.310 -0.616 25573 9027 1 16 . 1 1 98 98 MET N N 98 115.968 115.968 119.311 -3.343 25573 9028 1 16 . 1 1 98 98 MET HA H 98 4.614 4.614 4.660 -0.046 25573 9029 1 16 . 1 1 98 98 MET CA C 98 51.685 51.685 54.181 -2.496 25573 9030 1 16 . 1 1 98 98 MET CB C 98 29.808 29.808 32.670 -2.862 25573 9031 1 16 . 1 1 98 98 MET H H 98 8.168 8.168 7.609 0.559 25573 9032 1 16 . 1 1 99 99 THR N N 99 118.683 118.683 123.410 -4.727 25573 9033 1 16 . 1 1 99 99 THR HA H 99 4.184 4.184 4.120 0.064 25573 9034 1 16 . 1 1 99 99 THR CA C 99 59.813 59.813 63.437 -3.624 25573 9035 1 16 . 1 1 99 99 THR CB C 99 65.438 65.438 68.203 -2.765 25573 9036 1 16 . 1 1 99 99 THR H H 99 8.562 8.562 8.440 0.122 25573 9037 1 16 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.032 0.087 25573 9038 1 16 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.202 -5.500 25573 9039 1 16 . 1 1 100 100 VAL H H 100 8.392 8.392 7.722 0.670 25573 9040 1 16 . 1 1 101 101 SER N N 101 121.736 121.736 113.951 7.785 25573 9041 1 16 . 1 1 101 101 SER HA H 101 4.645 4.645 4.489 0.156 25573 9042 1 16 . 1 1 101 101 SER CA C 101 56.852 56.852 59.310 -2.458 25573 9043 1 16 . 1 1 101 101 SER CB C 101 61.739 61.739 63.971 -2.232 25573 9044 1 16 . 1 1 101 101 SER H H 101 8.079 8.079 8.438 -0.359 25573 9045 1 16 . 1 1 102 102 THR N N 102 110.147 110.147 109.481 0.666 25573 9046 1 16 . 1 1 102 102 THR HA H 102 5.450 5.450 4.761 0.689 25573 9047 1 16 . 1 1 102 102 THR CA C 102 56.522 56.522 59.313 -2.791 25573 9048 1 16 . 1 1 102 102 THR CB C 102 71.007 71.007 72.271 -1.264 25573 9049 1 16 . 1 1 102 102 THR H H 102 7.276 7.276 7.568 -0.292 25573 9050 1 16 . 1 1 103 103 ALA N N 103 124.013 124.013 124.274 -0.261 25573 9051 1 16 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.026 -0.072 25573 9052 1 16 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.684 -3.406 25573 9053 1 16 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.295 -2.611 25573 9054 1 16 . 1 1 103 103 ALA H H 103 8.433 8.433 8.663 -0.230 25573 9055 1 16 . 1 1 104 104 ALA N N 104 119.649 119.649 120.990 -1.341 25573 9056 1 16 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.134 0.152 25573 9057 1 16 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.822 -2.520 25573 9058 1 16 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.124 -1.604 25573 9059 1 16 . 1 1 104 104 ALA H H 104 8.474 8.474 8.390 0.084 25573 9060 1 16 . 1 1 105 105 ALA N N 105 120.587 120.587 121.197 -0.610 25573 9061 1 16 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.888 0.376 25573 9062 1 16 . 1 1 105 105 ALA CA C 105 52.198 52.198 55.192 -2.994 25573 9063 1 16 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.387 -2.642 25573 9064 1 16 . 1 1 105 105 ALA H H 105 8.050 8.050 7.727 0.323 25573 9065 1 16 . 1 1 106 106 ALA N N 106 121.752 121.752 121.261 0.491 25573 9066 1 16 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.902 -0.635 25573 9067 1 16 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.264 -3.753 25573 9068 1 16 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.108 -2.060 25573 9069 1 16 . 1 1 106 106 ALA H H 106 8.071 8.071 7.875 0.196 25573 9070 1 16 . 1 1 107 107 GLU N N 107 119.133 119.133 119.184 -0.051 25573 9071 1 16 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.954 -0.095 25573 9072 1 16 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.689 -2.354 25573 9073 1 16 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.513 -2.404 25573 9074 1 16 . 1 1 107 107 GLU H H 107 8.711 8.711 7.877 0.834 25573 9075 1 16 . 1 1 108 108 ASN N N 108 118.306 118.306 118.069 0.237 25573 9076 1 16 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.436 0.165 25573 9077 1 16 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.372 -2.401 25573 9078 1 16 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.544 -3.092 25573 9079 1 16 . 1 1 108 108 ASN H H 108 8.045 8.045 8.594 -0.549 25573 9080 1 16 . 1 1 109 109 MET N N 109 120.038 120.038 120.252 -0.214 25573 9081 1 16 . 1 1 109 109 MET HA H 109 4.305 4.305 4.219 0.086 25573 9082 1 16 . 1 1 109 109 MET CA C 109 55.602 55.602 57.134 -1.532 25573 9083 1 16 . 1 1 109 109 MET CB C 109 29.771 29.771 31.820 -2.049 25573 9084 1 16 . 1 1 109 109 MET H H 109 8.401 8.401 8.097 0.304 25573 9085 1 16 . 1 1 110 110 TYR N N 110 121.616 121.616 119.763 1.853 25573 9086 1 16 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.015 -0.352 25573 9087 1 16 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.138 -3.213 25573 9088 1 16 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.364 -2.438 25573 9089 1 16 . 1 1 110 110 TYR H H 110 8.651 8.651 8.075 0.576 25573 9090 1 16 . 1 1 111 111 SER N N 111 110.621 110.621 113.836 -3.215 25573 9091 1 16 . 1 1 111 111 SER HA H 111 4.540 4.540 4.171 0.369 25573 9092 1 16 . 1 1 111 111 SER CA C 111 58.395 58.395 61.217 -2.822 25573 9093 1 16 . 1 1 111 111 SER CB C 111 60.600 60.600 63.425 -2.825 25573 9094 1 16 . 1 1 111 111 SER H H 111 7.394 7.394 7.969 -0.575 25573 9095 1 16 . 1 1 112 112 GLN N N 112 125.643 125.643 121.851 3.792 25573 9096 1 16 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.044 0.015 25573 9097 1 16 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.480 -2.397 25573 9098 1 16 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.562 -2.917 25573 9099 1 16 . 1 1 112 112 GLN H H 112 8.774 8.774 8.216 0.558 25573 9100 1 16 . 1 1 113 113 MET N N 113 114.866 114.866 116.132 -1.266 25573 9101 1 16 . 1 1 113 113 MET HA H 113 4.275 4.275 4.363 -0.088 25573 9102 1 16 . 1 1 113 113 MET CA C 113 53.246 53.246 56.489 -3.244 25573 9103 1 16 . 1 1 113 113 MET CB C 113 31.365 31.365 33.546 -2.181 25573 9104 1 16 . 1 1 113 113 MET H H 113 8.070 8.070 7.832 0.238 25573 9105 1 16 . 1 1 114 114 GLY N N 114 107.252 107.252 105.668 1.584 25573 9106 1 16 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.100 -2.140 25573 9107 1 16 . 1 1 114 114 GLY H H 114 8.012 8.012 7.626 0.386 25573 9108 1 16 . 1 1 115 115 LEU N N 115 114.939 114.939 117.435 -2.496 25573 9109 1 16 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.231 -0.356 25573 9110 1 16 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.197 -1.988 25573 9111 1 16 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.370 -5.912 25573 9112 1 16 . 1 1 115 115 LEU H H 115 7.447 7.447 8.118 -0.671 25573 9113 1 16 . 1 1 116 116 ASP N N 116 116.423 116.423 118.595 -2.172 25573 9114 1 16 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.798 -0.128 25573 9115 1 16 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.776 -2.473 25573 9116 1 16 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.791 -5.472 25573 9117 1 16 . 1 1 116 116 ASP H H 116 8.518 8.518 7.582 0.936 25573 9118 1 16 . 1 1 117 117 THR N N 117 113.582 113.582 113.893 -0.311 25573 9119 1 16 . 1 1 117 117 THR HA H 117 4.194 4.194 4.547 -0.353 25573 9120 1 16 . 1 1 117 117 THR CA C 117 58.925 58.925 62.122 -3.197 25573 9121 1 16 . 1 1 117 117 THR CB C 117 67.320 67.320 68.928 -1.608 25573 9122 1 16 . 1 1 117 117 THR H H 117 7.240 7.240 8.492 -1.252 25573 9123 1 16 . 1 1 118 118 ARG N N 118 126.068 126.068 122.204 3.864 25573 9124 1 16 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.795 -0.229 25573 9125 1 16 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.697 -2.354 25573 9126 1 16 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.212 2.496 25573 9127 1 16 . 1 1 118 118 ARG H H 118 8.711 8.711 8.337 0.374 25573 9128 1 16 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.656 -2.578 25573 9129 1 16 . 1 1 119 119 PRO CA C 119 60.043 60.043 63.275 -3.232 25573 9130 1 16 . 1 1 120 120 SER N N 120 116.251 116.251 119.302 -3.051 25573 9131 1 16 . 1 1 120 120 SER HA H 120 4.385 4.385 4.533 -0.148 25573 9132 1 16 . 1 1 120 120 SER CA C 120 55.352 55.352 58.559 -3.207 25573 9133 1 16 . 1 1 120 120 SER CB C 120 61.037 61.037 64.560 -3.523 25573 9134 1 16 . 1 1 120 120 SER H H 120 8.385 8.385 8.771 -0.386 25573 9135 1 16 . 1 1 121 121 MET N N 121 123.171 123.171 122.638 0.533 25573 9136 1 16 . 1 1 121 121 MET HA H 121 4.289 4.289 4.560 -0.271 25573 9137 1 16 . 1 1 121 121 MET CA C 121 53.282 53.282 55.780 -2.498 25573 9138 1 16 . 1 1 121 121 MET CB C 121 30.755 30.755 35.116 -4.361 25573 9139 1 16 . 1 1 121 121 MET H H 121 8.297 8.297 8.170 0.127 25573 9140 1 16 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.593 -0.335 25573 9141 1 16 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.107 -2.438 25573 9142 1 16 . 1 1 123 123 GLU N N 123 122.135 122.135 119.321 2.814 25573 9143 1 16 . 1 1 123 123 GLU CA C 123 47.903 47.903 55.915 -8.012 25573 9144 1 16 . 1 1 123 123 GLU CB C 123 30.404 30.404 32.663 -2.259 25573 9145 1 16 . 1 1 123 123 GLU H H 123 8.505 8.505 7.972 0.533 25573 9146 1 16 . 1 1 124 124 ALA N N 124 125.340 125.340 124.082 1.258 25573 9147 1 16 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.749 -0.418 25573 9148 1 16 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.655 -2.822 25573 9149 1 16 . 1 1 124 124 ALA CB C 124 16.665 16.665 20.274 -3.610 25573 9150 1 16 . 1 1 124 124 ALA H H 124 8.422 8.422 8.571 -0.149 25573 9151 1 16 . 1 1 125 125 GLY N N 125 108.426 108.426 109.849 -1.423 25573 9152 1 16 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.776 -3.034 25573 9153 1 16 . 1 1 125 125 GLY H H 125 8.401 8.401 8.450 -0.049 25573 9154 1 16 . 1 1 126 126 GLY N N 126 109.792 109.792 109.381 0.411 25573 9155 1 16 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.926 -2.679 25573 9156 1 16 . 1 1 126 126 GLY H H 126 8.515 8.515 8.166 0.349 25573 9157 1 16 . 1 1 127 127 LYS N N 127 120.366 120.366 120.584 -0.218 25573 9158 1 16 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.496 -0.175 25573 9159 1 16 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.680 -2.136 25573 9160 1 16 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.571 -3.219 25573 9161 1 16 . 1 1 127 127 LYS H H 127 8.244 8.244 8.012 0.232 25573 9162 1 16 . 1 1 128 128 GLU N N 128 122.270 122.270 124.068 -1.798 25573 9163 1 16 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.669 -0.625 25573 9164 1 16 . 1 1 128 128 GLU H H 128 8.559 8.559 8.406 0.153 25573 9165 1 16 . 1 1 129 129 GLU N N 129 122.282 122.282 121.630 0.652 25573 9166 1 16 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.812 -0.276 25573 9167 1 16 . 1 1 129 129 GLU CB C 129 30.189 30.189 29.649 0.540 25573 9168 1 16 . 1 1 129 129 GLU H H 129 8.027 8.027 8.507 -0.480 25573 9169 1 16 . 1 1 130 130 GLY N N 130 110.258 110.258 112.133 -1.875 25573 9170 1 16 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.229 -2.568 25573 9171 1 16 . 1 1 130 130 GLY H H 130 10.190 10.190 8.447 1.743 25573 9172 1 16 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.481 -0.102 25573 9173 1 16 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.007 -2.538 25573 9174 1 16 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.399 -3.168 25573 9175 1 16 . 1 1 133 133 GLN N N 133 119.932 119.932 120.698 -0.766 25573 9176 1 16 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.354 -0.035 25573 9177 1 16 . 1 1 133 133 GLN CA C 133 53.249 53.249 56.143 -2.894 25573 9178 1 16 . 1 1 133 133 GLN CB C 133 29.655 29.655 29.376 0.279 25573 9179 1 16 . 1 1 133 133 GLN H H 133 8.478 8.478 8.495 -0.017 25573 9180 1 16 . 1 1 134 134 ALA N N 134 124.828 124.828 125.812 -0.984 25573 9181 1 16 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.615 -0.366 25573 9182 1 16 . 1 1 134 134 ALA CA C 134 49.692 49.692 51.970 -2.278 25573 9183 1 16 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.858 -3.834 25573 9184 1 16 . 1 1 134 134 ALA H H 134 8.263 8.263 8.686 -0.423 25573 9185 1 17 . 1 1 3 3 ASN N N 3 119.366 119.366 120.322 -0.956 25573 9186 1 17 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.600 -0.017 25573 9187 1 17 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.261 -1.870 25573 9188 1 17 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.726 -3.014 25573 9189 1 17 . 1 1 3 3 ASN H H 3 8.596 8.596 8.474 0.122 25573 9190 1 17 . 1 1 4 4 GLY N N 4 112.829 112.829 107.095 5.734 25573 9191 1 17 . 1 1 4 4 GLY CA C 4 42.702 42.702 43.968 -1.266 25573 9192 1 17 . 1 1 4 4 GLY H H 4 8.073 8.073 7.998 0.075 25573 9193 1 17 . 1 1 5 5 ALA N N 5 123.630 123.630 121.592 2.038 25573 9194 1 17 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.042 0.361 25573 9195 1 17 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.559 -2.919 25573 9196 1 17 . 1 1 5 5 ALA CB C 5 16.414 16.414 18.778 -2.364 25573 9197 1 17 . 1 1 5 5 ALA H H 5 8.008 8.008 7.927 0.081 25573 9198 1 17 . 1 1 6 6 SER N N 6 114.866 114.866 115.268 -0.402 25573 9199 1 17 . 1 1 6 6 SER HA H 6 4.270 4.270 4.657 -0.387 25573 9200 1 17 . 1 1 6 6 SER CA C 6 56.023 56.023 57.347 -1.324 25573 9201 1 17 . 1 1 6 6 SER CB C 6 60.936 60.936 65.204 -4.268 25573 9202 1 17 . 1 1 6 6 SER H H 6 8.293 8.293 8.095 0.198 25573 9203 1 17 . 1 1 7 7 ARG N N 7 119.250 119.250 126.211 -6.961 25573 9204 1 17 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.992 -0.486 25573 9205 1 17 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.337 0.085 25573 9206 1 17 . 1 1 7 7 ARG H H 7 8.305 8.305 9.051 -0.746 25573 9207 1 17 . 1 1 8 8 ASP N N 8 119.662 119.662 118.946 0.716 25573 9208 1 17 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.397 -0.244 25573 9209 1 17 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.566 -2.012 25573 9210 1 17 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.594 -14.093 25573 9211 1 17 . 1 1 8 8 ASP H H 8 7.915 7.915 8.684 -0.769 25573 9212 1 17 . 1 1 9 9 TRP N N 9 121.861 121.861 120.938 0.923 25573 9213 1 17 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.425 -0.309 25573 9214 1 17 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.215 -4.253 25573 9215 1 17 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.845 -1.823 25573 9216 1 17 . 1 1 9 9 TRP H H 9 8.222 8.222 7.330 0.892 25573 9217 1 17 . 1 1 10 10 LYS N N 10 118.681 118.681 119.182 -0.501 25573 9218 1 17 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.939 0.343 25573 9219 1 17 . 1 1 10 10 LYS CA C 10 58.899 58.899 60.114 -1.216 25573 9220 1 17 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.403 -4.364 25573 9221 1 17 . 1 1 10 10 LYS H H 10 8.003 8.003 8.107 -0.104 25573 9222 1 17 . 1 1 11 11 MET N N 11 119.366 119.366 118.416 0.950 25573 9223 1 17 . 1 1 11 11 MET HA H 11 4.559 4.559 4.137 0.422 25573 9224 1 17 . 1 1 11 11 MET CA C 11 53.485 53.485 58.717 -5.232 25573 9225 1 17 . 1 1 11 11 MET H H 11 8.041 8.041 8.461 -0.420 25573 9226 1 17 . 1 1 12 12 ALA N N 12 122.650 122.650 122.696 -0.046 25573 9227 1 17 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.000 0.209 25573 9228 1 17 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.925 4.873 25573 9229 1 17 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.253 -0.482 25573 9230 1 17 . 1 1 12 12 ALA H H 12 7.904 7.904 7.770 0.134 25573 9231 1 17 . 1 1 13 13 ILE N N 13 117.322 117.322 117.399 -0.077 25573 9232 1 17 . 1 1 13 13 ILE CA C 13 64.578 64.578 64.289 0.289 25573 9233 1 17 . 1 1 13 13 ILE CB C 13 28.903 28.903 37.532 -8.629 25573 9234 1 17 . 1 1 13 13 ILE H H 13 8.380 8.380 7.772 0.608 25573 9235 1 17 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.758 1.158 25573 9236 1 17 . 1 1 16 16 CYS N N 16 116.263 116.263 119.508 -3.245 25573 9237 1 17 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.213 -0.168 25573 9238 1 17 . 1 1 16 16 CYS CA C 16 59.784 59.784 61.121 -1.337 25573 9239 1 17 . 1 1 16 16 CYS CB C 16 28.810 28.810 25.989 2.821 25573 9240 1 17 . 1 1 16 16 CYS H H 16 7.799 7.799 7.987 -0.188 25573 9241 1 17 . 1 1 17 17 SER N N 17 114.606 114.606 114.458 0.148 25573 9242 1 17 . 1 1 17 17 SER HA H 17 4.952 4.952 4.490 0.462 25573 9243 1 17 . 1 1 17 17 SER CA C 17 58.171 58.171 61.531 -3.360 25573 9244 1 17 . 1 1 17 17 SER CB C 17 60.740 60.740 62.934 -2.194 25573 9245 1 17 . 1 1 17 17 SER H H 17 7.830 7.830 8.093 -0.263 25573 9246 1 17 . 1 1 18 18 ASN N N 18 116.143 116.143 119.368 -3.225 25573 9247 1 17 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.766 0.242 25573 9248 1 17 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.083 -2.608 25573 9249 1 17 . 1 1 18 18 ASN CB C 18 37.289 37.289 39.398 -2.109 25573 9250 1 17 . 1 1 18 18 ASN H H 18 7.557 7.557 7.894 -0.337 25573 9251 1 17 . 1 1 19 19 VAL N N 19 121.616 121.616 119.177 2.439 25573 9252 1 17 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.308 -0.809 25573 9253 1 17 . 1 1 19 19 VAL CA C 19 59.730 59.730 61.472 -1.742 25573 9254 1 17 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.407 -5.365 25573 9255 1 17 . 1 1 19 19 VAL H H 19 7.919 7.919 7.670 0.249 25573 9256 1 17 . 1 1 20 20 ALA N N 20 129.139 129.139 128.209 0.930 25573 9257 1 17 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.977 -0.182 25573 9258 1 17 . 1 1 20 20 ALA C C 20 169.500 169.500 177.583 -8.083 25573 9259 1 17 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.056 -0.640 25573 9260 1 17 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.184 -3.469 25573 9261 1 17 . 1 1 20 20 ALA H H 20 8.150 8.150 8.198 -0.048 25573 9262 1 17 . 1 1 21 21 VAL N N 21 120.390 120.390 119.062 1.328 25573 9263 1 17 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.940 -0.173 25573 9264 1 17 . 1 1 21 21 VAL CA C 21 63.578 63.578 65.058 -1.480 25573 9265 1 17 . 1 1 21 21 VAL CB C 21 29.746 29.746 32.007 -2.260 25573 9266 1 17 . 1 1 21 21 VAL H H 21 8.319 8.319 7.878 0.441 25573 9267 1 17 . 1 1 22 22 GLY N N 22 108.884 108.884 105.269 3.615 25573 9268 1 17 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.958 -1.990 25573 9269 1 17 . 1 1 22 22 GLY H H 22 8.221 8.221 7.774 0.447 25573 9270 1 17 . 1 1 23 23 VAL N N 23 117.439 117.439 115.123 2.316 25573 9271 1 17 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.429 -0.191 25573 9272 1 17 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.130 -4.042 25573 9273 1 17 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.819 -2.385 25573 9274 1 17 . 1 1 23 23 VAL H H 23 8.003 8.003 8.366 -0.363 25573 9275 1 17 . 1 1 24 24 GLY N N 24 112.616 112.616 105.970 6.646 25573 9276 1 17 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.669 -1.890 25573 9277 1 17 . 1 1 24 24 GLY H H 24 8.716 8.716 7.635 1.081 25573 9278 1 17 . 1 1 25 25 GLY N N 25 108.753 108.753 108.502 0.251 25573 9279 1 17 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.742 -2.742 25573 9280 1 17 . 1 1 25 25 GLY H H 25 8.286 8.286 8.122 0.164 25573 9281 1 17 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.405 -0.029 25573 9282 1 17 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.720 -2.208 25573 9283 1 17 . 1 1 27 27 SER HA H 27 4.922 4.922 4.424 0.498 25573 9284 1 17 . 1 1 27 27 SER CA C 27 56.876 56.876 59.018 -2.142 25573 9285 1 17 . 1 1 27 27 SER CB C 27 64.578 64.578 63.444 1.134 25573 9286 1 17 . 1 1 27 27 SER H H 27 7.831 7.831 8.281 -0.450 25573 9287 1 17 . 1 1 28 28 LYS N N 28 122.919 122.919 121.989 0.930 25573 9288 1 17 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.460 -0.276 25573 9289 1 17 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.872 0.667 25573 9290 1 17 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.185 -0.819 25573 9291 1 17 . 1 1 28 28 LYS H H 28 8.589 8.589 8.244 0.345 25573 9292 1 17 . 1 1 29 29 LYS N N 29 120.917 120.917 123.036 -2.119 25573 9293 1 17 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.962 -0.579 25573 9294 1 17 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.009 -1.474 25573 9295 1 17 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.351 -2.275 25573 9296 1 17 . 1 1 29 29 LYS H H 29 8.471 8.471 8.038 0.433 25573 9297 1 17 . 1 1 30 30 PHE N N 30 119.366 119.366 118.970 0.396 25573 9298 1 17 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.467 -0.609 25573 9299 1 17 . 1 1 30 30 PHE CA C 30 58.172 58.172 58.865 -0.693 25573 9300 1 17 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.002 -1.760 25573 9301 1 17 . 1 1 30 30 PHE H H 30 8.000 8.000 8.116 -0.116 25573 9302 1 17 . 1 1 31 31 GLY N N 31 106.991 106.991 106.165 0.826 25573 9303 1 17 . 1 1 31 31 GLY CA C 31 40.936 40.936 43.489 -2.553 25573 9304 1 17 . 1 1 31 31 GLY H H 31 8.404 8.404 7.802 0.602 25573 9305 1 17 . 1 1 32 32 GLU N N 32 120.491 120.491 121.100 -0.609 25573 9306 1 17 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.154 -0.042 25573 9307 1 17 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.310 -1.139 25573 9308 1 17 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.394 -2.088 25573 9309 1 17 . 1 1 32 32 GLU H H 32 9.168 9.168 8.830 0.338 25573 9310 1 17 . 1 1 33 33 GLY N N 33 109.241 109.241 108.303 0.938 25573 9311 1 17 . 1 1 33 33 GLY CA C 33 43.591 43.591 47.005 -3.414 25573 9312 1 17 . 1 1 33 33 GLY H H 33 8.613 8.613 8.632 -0.019 25573 9313 1 17 . 1 1 34 34 ASN N N 34 118.241 118.241 120.251 -2.010 25573 9314 1 17 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.640 -0.602 25573 9315 1 17 . 1 1 34 34 ASN CA C 34 54.463 54.463 54.788 -0.325 25573 9316 1 17 . 1 1 34 34 ASN CB C 34 36.394 36.394 37.942 -1.548 25573 9317 1 17 . 1 1 34 34 ASN H H 34 7.897 7.897 7.903 -0.006 25573 9318 1 17 . 1 1 35 35 PHE N N 35 117.116 117.116 119.048 -1.932 25573 9319 1 17 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.102 -0.014 25573 9320 1 17 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.964 -1.652 25573 9321 1 17 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.734 -1.906 25573 9322 1 17 . 1 1 35 35 PHE H H 35 7.180 7.180 7.651 -0.471 25573 9323 1 17 . 1 1 36 36 ARG N N 36 117.825 117.825 118.220 -0.395 25573 9324 1 17 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.098 -0.526 25573 9325 1 17 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.304 -1.062 25573 9326 1 17 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.536 4.461 25573 9327 1 17 . 1 1 36 36 ARG H H 36 8.278 8.278 8.086 0.192 25573 9328 1 17 . 1 1 37 37 TRP N N 37 118.845 118.845 122.827 -3.982 25573 9329 1 17 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.280 -0.146 25573 9330 1 17 . 1 1 37 37 TRP CA C 37 58.900 58.900 60.868 -1.968 25573 9331 1 17 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.385 -1.936 25573 9332 1 17 . 1 1 37 37 TRP H H 37 8.106 8.106 8.001 0.105 25573 9333 1 17 . 1 1 38 38 ALA N N 38 119.609 119.609 123.313 -3.704 25573 9334 1 17 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.944 0.485 25573 9335 1 17 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.865 -1.971 25573 9336 1 17 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.526 -2.127 25573 9337 1 17 . 1 1 38 38 ALA H H 38 8.332 8.332 7.965 0.367 25573 9338 1 17 . 1 1 39 39 ILE N N 39 114.866 114.866 119.764 -4.898 25573 9339 1 17 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.669 0.695 25573 9340 1 17 . 1 1 39 39 ILE CA C 39 55.584 55.584 64.524 -8.940 25573 9341 1 17 . 1 1 39 39 ILE CB C 39 31.492 31.492 38.325 -6.833 25573 9342 1 17 . 1 1 39 39 ILE H H 39 8.161 8.161 7.765 0.396 25573 9343 1 17 . 1 1 40 40 ARG N N 40 120.240 120.240 118.330 1.910 25573 9344 1 17 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.892 0.174 25573 9345 1 17 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.108 -2.470 25573 9346 1 17 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.771 0.038 25573 9347 1 17 . 1 1 40 40 ARG H H 40 8.446 8.446 8.495 -0.049 25573 9348 1 17 . 1 1 41 41 MET HA H 41 4.305 4.305 3.829 0.476 25573 9349 1 17 . 1 1 41 41 MET CA C 41 53.585 53.585 58.688 -5.103 25573 9350 1 17 . 1 1 41 41 MET CB C 41 29.902 29.902 31.785 -1.883 25573 9351 1 17 . 1 1 42 42 ALA N N 42 122.782 122.782 120.457 2.325 25573 9352 1 17 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.890 0.658 25573 9353 1 17 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.109 -2.833 25573 9354 1 17 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.006 -1.146 25573 9355 1 17 . 1 1 42 42 ALA H H 42 8.556 8.556 8.214 0.342 25573 9356 1 17 . 1 1 43 43 ASN N N 43 119.366 119.366 117.128 2.238 25573 9357 1 17 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.417 0.277 25573 9358 1 17 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.106 -5.769 25573 9359 1 17 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.170 -2.479 25573 9360 1 17 . 1 1 43 43 ASN H H 43 8.613 8.613 8.031 0.582 25573 9361 1 17 . 1 1 44 44 VAL N N 44 118.466 118.466 120.155 -1.689 25573 9362 1 17 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.803 0.096 25573 9363 1 17 . 1 1 44 44 VAL CA C 44 63.094 63.094 66.041 -2.947 25573 9364 1 17 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.256 -2.335 25573 9365 1 17 . 1 1 44 44 VAL H H 44 8.464 8.464 7.703 0.761 25573 9366 1 17 . 1 1 45 45 SER N N 45 113.763 113.763 113.407 0.356 25573 9367 1 17 . 1 1 45 45 SER HA H 45 4.328 4.328 4.156 0.172 25573 9368 1 17 . 1 1 45 45 SER CA C 45 58.553 58.553 61.286 -2.733 25573 9369 1 17 . 1 1 45 45 SER CB C 45 61.343 61.343 63.655 -2.312 25573 9370 1 17 . 1 1 45 45 SER H H 45 7.963 7.963 7.942 0.021 25573 9371 1 17 . 1 1 46 46 THR N N 46 106.729 106.729 109.411 -2.682 25573 9372 1 17 . 1 1 46 46 THR HA H 46 4.602 4.602 4.559 0.043 25573 9373 1 17 . 1 1 46 46 THR CA C 46 58.026 58.026 60.593 -2.567 25573 9374 1 17 . 1 1 46 46 THR CB C 46 67.285 67.285 69.129 -1.844 25573 9375 1 17 . 1 1 46 46 THR H H 46 7.560 7.560 7.902 -0.343 25573 9376 1 17 . 1 1 47 47 GLY N N 47 109.384 109.384 110.808 -1.424 25573 9377 1 17 . 1 1 47 47 GLY CA C 47 43.809 43.809 46.004 -2.195 25573 9378 1 17 . 1 1 47 47 GLY H H 47 7.539 7.539 7.974 -0.435 25573 9379 1 17 . 1 1 48 48 ARG N N 48 120.563 120.563 120.167 0.396 25573 9380 1 17 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.983 0.370 25573 9381 1 17 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.826 -4.487 25573 9382 1 17 . 1 1 48 48 ARG CB C 48 29.760 29.760 29.107 0.653 25573 9383 1 17 . 1 1 48 48 ARG H H 48 8.220 8.220 7.843 0.377 25573 9384 1 17 . 1 1 49 49 GLU N N 49 122.874 122.874 117.041 5.833 25573 9385 1 17 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.518 -0.196 25573 9386 1 17 . 1 1 49 49 GLU CA C 49 54.134 54.134 54.330 -0.196 25573 9387 1 17 . 1 1 49 49 GLU CB C 49 29.104 29.104 31.833 -2.729 25573 9388 1 17 . 1 1 49 49 GLU H H 49 8.661 8.661 7.899 0.762 25573 9389 1 17 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.894 2.000 25573 9390 1 17 . 1 1 51 51 GLY N N 51 102.859 102.859 108.654 -5.795 25573 9391 1 17 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.177 -3.100 25573 9392 1 17 . 1 1 51 51 GLY H H 51 8.368 8.368 8.327 0.041 25573 9393 1 17 . 1 1 52 52 ASP N N 52 120.491 120.491 123.238 -2.747 25573 9394 1 17 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.692 -0.312 25573 9395 1 17 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.285 -2.604 25573 9396 1 17 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.661 -4.860 25573 9397 1 17 . 1 1 52 52 ASP H H 52 7.204 7.204 7.947 -0.743 25573 9398 1 17 . 1 1 53 53 ILE N N 53 127.662 127.662 121.297 6.365 25573 9399 1 17 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.488 0.042 25573 9400 1 17 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.798 -4.671 25573 9401 1 17 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.185 -2.690 25573 9402 1 17 . 1 1 53 53 ILE H H 53 8.255 8.255 7.872 0.383 25573 9403 1 17 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.470 0.016 25573 9404 1 17 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.670 -2.551 25573 9405 1 17 . 1 1 54 54 PRO CB C 54 28.795 28.795 31.913 -3.118 25573 9406 1 17 . 1 1 55 55 GLU N N 55 117.116 117.116 124.276 -7.160 25573 9407 1 17 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.355 0.151 25573 9408 1 17 . 1 1 55 55 GLU CA C 55 54.283 54.283 55.798 -1.515 25573 9409 1 17 . 1 1 55 55 GLU CB C 55 29.682 29.682 27.475 2.207 25573 9410 1 17 . 1 1 55 55 GLU H H 55 8.580 8.580 8.790 -0.210 25573 9411 1 17 . 1 1 56 56 THR N N 56 105.122 105.122 111.231 -6.109 25573 9412 1 17 . 1 1 56 56 THR HA H 56 4.832 4.832 4.720 0.112 25573 9413 1 17 . 1 1 56 56 THR CA C 56 55.381 55.381 60.391 -5.010 25573 9414 1 17 . 1 1 56 56 THR CB C 56 70.771 70.771 72.070 -1.299 25573 9415 1 17 . 1 1 56 56 THR H H 56 7.367 7.367 7.857 -0.490 25573 9416 1 17 . 1 1 57 57 LEU N N 57 122.564 122.564 126.484 -3.920 25573 9417 1 17 . 1 1 57 57 LEU HA H 57 4.432 4.432 3.931 0.501 25573 9418 1 17 . 1 1 57 57 LEU CA C 57 55.409 55.409 58.277 -2.868 25573 9419 1 17 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.934 -4.073 25573 9420 1 17 . 1 1 57 57 LEU H H 57 9.222 9.222 8.970 0.252 25573 9421 1 17 . 1 1 58 58 ASP N N 58 119.366 119.366 117.918 1.448 25573 9422 1 17 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.443 0.837 25573 9423 1 17 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.042 -2.685 25573 9424 1 17 . 1 1 58 58 ASP H H 58 8.570 8.570 8.568 0.002 25573 9425 1 17 . 1 1 59 59 GLN N N 59 118.241 118.241 119.488 -1.247 25573 9426 1 17 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.135 -0.103 25573 9427 1 17 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.200 -2.283 25573 9428 1 17 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.713 -2.639 25573 9429 1 17 . 1 1 59 59 GLN H H 59 7.823 7.823 7.704 0.119 25573 9430 1 17 . 1 1 60 60 LEU N N 60 121.691 121.691 121.216 0.475 25573 9431 1 17 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.932 0.147 25573 9432 1 17 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.651 -3.381 25573 9433 1 17 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.909 5.728 25573 9434 1 17 . 1 1 60 60 LEU H H 60 8.187 8.187 8.431 -0.244 25573 9435 1 17 . 1 1 61 61 ARG N N 61 117.960 117.960 119.013 -1.053 25573 9436 1 17 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.101 -0.035 25573 9437 1 17 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.692 -3.510 25573 9438 1 17 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.202 -1.286 25573 9439 1 17 . 1 1 61 61 ARG H H 61 9.133 9.133 7.933 1.200 25573 9440 1 17 . 1 1 62 62 LEU N N 62 118.408 118.408 119.804 -1.396 25573 9441 1 17 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.160 -0.134 25573 9442 1 17 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.126 -1.046 25573 9443 1 17 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.858 -3.494 25573 9444 1 17 . 1 1 62 62 LEU H H 62 7.817 7.817 7.738 0.079 25573 9445 1 17 . 1 1 63 63 VAL N N 63 119.177 119.177 120.685 -1.508 25573 9446 1 17 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.518 0.019 25573 9447 1 17 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.861 -3.360 25573 9448 1 17 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.688 -2.804 25573 9449 1 17 . 1 1 63 63 VAL H H 63 7.368 7.368 7.738 -0.370 25573 9450 1 17 . 1 1 64 64 ILE N N 64 119.068 119.068 120.072 -1.004 25573 9451 1 17 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.631 -0.091 25573 9452 1 17 . 1 1 64 64 ILE CA C 64 64.481 64.481 64.730 -0.249 25573 9453 1 17 . 1 1 64 64 ILE CB C 64 34.712 34.712 38.105 -3.393 25573 9454 1 17 . 1 1 64 64 ILE H H 64 8.320 8.320 7.735 0.585 25573 9455 1 17 . 1 1 65 65 CYS N N 65 119.131 119.131 119.182 -0.051 25573 9456 1 17 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.100 0.230 25573 9457 1 17 . 1 1 65 65 CYS CA C 65 60.908 60.908 62.309 -1.401 25573 9458 1 17 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.470 -2.578 25573 9459 1 17 . 1 1 65 65 CYS H H 65 9.076 9.076 7.967 1.109 25573 9460 1 17 . 1 1 66 66 ASP N N 66 120.537 120.537 120.885 -0.348 25573 9461 1 17 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.378 -0.066 25573 9462 1 17 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.023 0.741 25573 9463 1 17 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.687 -2.502 25573 9464 1 17 . 1 1 66 66 ASP H H 66 8.512 8.512 7.941 0.571 25573 9465 1 17 . 1 1 67 67 LEU N N 67 119.364 119.364 120.898 -1.534 25573 9466 1 17 . 1 1 67 67 LEU HA H 67 3.970 3.970 4.026 -0.056 25573 9467 1 17 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.414 -1.429 25573 9468 1 17 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.041 -9.295 25573 9469 1 17 . 1 1 67 67 LEU H H 67 8.971 8.971 8.463 0.508 25573 9470 1 17 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.099 0.330 25573 9471 1 17 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.540 -3.775 25573 9472 1 17 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.447 0.354 25573 9473 1 17 . 1 1 70 70 ARG N N 70 122.186 122.186 120.039 2.147 25573 9474 1 17 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.090 0.396 25573 9475 1 17 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.702 -7.169 25573 9476 1 17 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.306 0.035 25573 9477 1 17 . 1 1 70 70 ARG H H 70 8.345 8.345 7.824 0.521 25573 9478 1 17 . 1 1 71 71 ARG N N 71 121.616 121.616 118.759 2.857 25573 9479 1 17 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.038 -1.414 25573 9480 1 17 . 1 1 71 71 ARG CA C 71 54.179 54.179 59.047 -4.868 25573 9481 1 17 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.386 0.621 25573 9482 1 17 . 1 1 71 71 ARG H H 71 8.480 8.480 8.613 -0.133 25573 9483 1 17 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.080 -0.008 25573 9484 1 17 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.960 -2.984 25573 9485 1 17 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.541 -1.789 25573 9486 1 17 . 1 1 74 74 PHE N N 74 115.001 115.001 116.841 -1.840 25573 9487 1 17 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.348 0.474 25573 9488 1 17 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.623 -4.502 25573 9489 1 17 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.409 -2.822 25573 9490 1 17 . 1 1 74 74 PHE H H 74 8.530 8.530 7.871 0.659 25573 9491 1 17 . 1 1 75 75 GLY N N 75 110.366 110.366 105.157 5.209 25573 9492 1 17 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.695 -2.691 25573 9493 1 17 . 1 1 75 75 GLY H H 75 7.799 7.799 7.721 0.078 25573 9494 1 17 . 1 1 76 76 SER N N 76 113.283 113.283 114.517 -1.234 25573 9495 1 17 . 1 1 76 76 SER HA H 76 4.523 4.523 4.809 -0.286 25573 9496 1 17 . 1 1 76 76 SER CA C 76 54.361 54.361 57.453 -3.092 25573 9497 1 17 . 1 1 76 76 SER CB C 76 61.887 61.887 65.252 -3.365 25573 9498 1 17 . 1 1 76 76 SER H H 76 8.417 8.417 8.413 0.004 25573 9499 1 17 . 1 1 77 77 SER N N 77 114.950 114.950 115.372 -0.422 25573 9500 1 17 . 1 1 77 77 SER HA H 77 4.535 4.535 4.662 -0.127 25573 9501 1 17 . 1 1 77 77 SER CA C 77 53.833 53.833 57.517 -3.684 25573 9502 1 17 . 1 1 77 77 SER CB C 77 63.488 63.488 65.129 -1.641 25573 9503 1 17 . 1 1 77 77 SER H H 77 8.428 8.428 7.947 0.481 25573 9504 1 17 . 1 1 78 78 LYS N N 78 122.032 122.032 124.354 -2.322 25573 9505 1 17 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.956 0.719 25573 9506 1 17 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.985 -5.858 25573 9507 1 17 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.403 -3.168 25573 9508 1 17 . 1 1 78 78 LYS H H 78 9.044 9.044 8.890 0.154 25573 9509 1 17 . 1 1 79 79 GLU N N 79 118.232 118.232 119.459 -1.227 25573 9510 1 17 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.243 0.049 25573 9511 1 17 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.432 -1.328 25573 9512 1 17 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.699 -2.853 25573 9513 1 17 . 1 1 79 79 GLU H H 79 8.795 8.795 7.978 0.817 25573 9514 1 17 . 1 1 80 80 ILE N N 80 120.491 120.491 120.631 -0.140 25573 9515 1 17 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.714 0.015 25573 9516 1 17 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.474 -3.008 25573 9517 1 17 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.915 -1.806 25573 9518 1 17 . 1 1 80 80 ILE H H 80 7.892 7.892 7.825 0.067 25573 9519 1 17 . 1 1 81 81 ASP N N 81 120.491 120.491 120.064 0.427 25573 9520 1 17 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.369 -0.063 25573 9521 1 17 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.375 -2.001 25573 9522 1 17 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.745 -3.369 25573 9523 1 17 . 1 1 81 81 ASP H H 81 8.424 8.424 8.460 -0.036 25573 9524 1 17 . 1 1 82 82 MET N N 82 118.588 118.588 118.146 0.442 25573 9525 1 17 . 1 1 82 82 MET HA H 82 4.610 4.610 4.281 0.329 25573 9526 1 17 . 1 1 82 82 MET CA C 82 54.472 54.472 59.007 -4.535 25573 9527 1 17 . 1 1 82 82 MET CB C 82 29.557 29.557 32.609 -3.052 25573 9528 1 17 . 1 1 82 82 MET H H 82 8.215 8.215 8.065 0.150 25573 9529 1 17 . 1 1 83 83 ALA N N 83 127.525 127.525 123.220 4.305 25573 9530 1 17 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.241 -0.142 25573 9531 1 17 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.079 -1.171 25573 9532 1 17 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.227 -3.417 25573 9533 1 17 . 1 1 83 83 ALA H H 83 10.165 10.165 7.891 2.274 25573 9534 1 17 . 1 1 84 84 ILE N N 84 115.968 115.968 119.062 -3.094 25573 9535 1 17 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.678 -0.144 25573 9536 1 17 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.570 -1.193 25573 9537 1 17 . 1 1 84 84 ILE CB C 84 35.417 35.417 38.126 -2.709 25573 9538 1 17 . 1 1 84 84 ILE H H 84 8.437 8.437 7.654 0.783 25573 9539 1 17 . 1 1 85 85 VAL N N 85 117.106 117.106 117.471 -0.365 25573 9540 1 17 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.657 0.388 25573 9541 1 17 . 1 1 85 85 VAL CA C 85 55.925 55.925 65.928 -10.003 25573 9542 1 17 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.242 -2.058 25573 9543 1 17 . 1 1 85 85 VAL H H 85 7.835 7.835 7.858 -0.023 25573 9544 1 17 . 1 1 86 86 THR N N 86 116.673 116.673 115.801 0.872 25573 9545 1 17 . 1 1 86 86 THR HA H 86 4.181 4.181 3.874 0.307 25573 9546 1 17 . 1 1 86 86 THR CA C 86 59.627 59.627 66.009 -6.382 25573 9547 1 17 . 1 1 86 86 THR CB C 86 65.856 65.856 68.264 -2.408 25573 9548 1 17 . 1 1 86 86 THR H H 86 8.254 8.254 8.426 -0.172 25573 9549 1 17 . 1 1 87 87 LEU N N 87 121.447 121.447 121.669 -0.222 25573 9550 1 17 . 1 1 87 87 LEU HA H 87 4.582 4.582 3.953 0.629 25573 9551 1 17 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.920 -1.064 25573 9552 1 17 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.419 -9.594 25573 9553 1 17 . 1 1 87 87 LEU H H 87 7.913 7.913 7.783 0.130 25573 9554 1 17 . 1 1 88 88 LYS N N 88 119.505 119.505 119.632 -0.127 25573 9555 1 17 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.476 0.665 25573 9556 1 17 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.770 -3.700 25573 9557 1 17 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.294 -2.407 25573 9558 1 17 . 1 1 88 88 LYS H H 88 7.970 7.970 7.531 0.439 25573 9559 1 17 . 1 1 89 89 VAL N N 89 119.366 119.366 119.545 -0.179 25573 9560 1 17 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.602 0.218 25573 9561 1 17 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.054 -9.098 25573 9562 1 17 . 1 1 89 89 VAL H H 89 8.082 8.082 8.260 -0.178 25573 9563 1 17 . 1 1 90 90 PHE N N 90 119.366 119.366 120.258 -0.892 25573 9564 1 17 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.825 0.599 25573 9565 1 17 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.542 -4.391 25573 9566 1 17 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.081 -2.451 25573 9567 1 17 . 1 1 90 90 PHE H H 90 8.104 8.104 8.462 -0.358 25573 9568 1 17 . 1 1 91 91 ALA N N 91 118.916 118.916 121.517 -2.601 25573 9569 1 17 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.544 0.972 25573 9570 1 17 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.824 -0.412 25573 9571 1 17 . 1 1 91 91 ALA CB C 91 15.890 15.890 17.902 -2.012 25573 9572 1 17 . 1 1 91 91 ALA H H 91 8.187 8.187 7.375 0.812 25573 9573 1 17 . 1 1 92 92 VAL N N 92 113.741 113.741 119.042 -5.301 25573 9574 1 17 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.686 -0.099 25573 9575 1 17 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.130 -2.551 25573 9576 1 17 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.265 -0.473 25573 9577 1 17 . 1 1 92 92 VAL H H 92 8.196 8.196 7.988 0.208 25573 9578 1 17 . 1 1 93 93 ALA N N 93 119.366 119.366 120.070 -0.704 25573 9579 1 17 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.122 0.572 25573 9580 1 17 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.248 -3.967 25573 9581 1 17 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.214 -1.499 25573 9582 1 17 . 1 1 93 93 ALA H H 93 8.564 8.564 8.319 0.245 25573 9583 1 17 . 1 1 94 94 GLY N N 94 104.958 104.958 106.624 -1.666 25573 9584 1 17 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.503 -1.579 25573 9585 1 17 . 1 1 94 94 GLY H H 94 6.940 6.940 7.367 -0.427 25573 9586 1 17 . 1 1 95 95 LEU N N 95 120.679 120.679 120.807 -0.128 25573 9587 1 17 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.970 0.035 25573 9588 1 17 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.105 -2.700 25573 9589 1 17 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.830 -3.605 25573 9590 1 17 . 1 1 95 95 LEU H H 95 7.724 7.724 7.575 0.149 25573 9591 1 17 . 1 1 96 96 LEU N N 96 115.261 115.261 117.265 -2.004 25573 9592 1 17 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.220 0.055 25573 9593 1 17 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.767 -2.498 25573 9594 1 17 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.337 -3.651 25573 9595 1 17 . 1 1 96 96 LEU H H 96 7.723 7.723 7.553 0.170 25573 9596 1 17 . 1 1 97 97 ASN N N 97 112.672 112.672 113.143 -0.471 25573 9597 1 17 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.520 -0.279 25573 9598 1 17 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.294 -3.094 25573 9599 1 17 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.841 -2.396 25573 9600 1 17 . 1 1 97 97 ASN H H 97 6.694 6.694 7.304 -0.610 25573 9601 1 17 . 1 1 98 98 MET N N 98 115.968 115.968 117.792 -1.824 25573 9602 1 17 . 1 1 98 98 MET HA H 98 4.614 4.614 4.660 -0.046 25573 9603 1 17 . 1 1 98 98 MET CA C 98 51.685 51.685 53.526 -1.841 25573 9604 1 17 . 1 1 98 98 MET CB C 98 29.808 29.808 31.445 -1.637 25573 9605 1 17 . 1 1 98 98 MET H H 98 8.168 8.168 7.660 0.508 25573 9606 1 17 . 1 1 99 99 THR N N 99 118.683 118.683 118.894 -0.211 25573 9607 1 17 . 1 1 99 99 THR HA H 99 4.184 4.184 4.067 0.117 25573 9608 1 17 . 1 1 99 99 THR CA C 99 59.813 59.813 62.887 -3.074 25573 9609 1 17 . 1 1 99 99 THR CB C 99 65.438 65.438 69.012 -3.574 25573 9610 1 17 . 1 1 99 99 THR H H 99 8.562 8.562 8.293 0.269 25573 9611 1 17 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.104 0.015 25573 9612 1 17 . 1 1 100 100 VAL CA C 100 56.702 56.702 61.828 -5.126 25573 9613 1 17 . 1 1 100 100 VAL H H 100 8.392 8.392 7.913 0.479 25573 9614 1 17 . 1 1 101 101 SER N N 101 121.736 121.736 112.301 9.435 25573 9615 1 17 . 1 1 101 101 SER HA H 101 4.645 4.645 4.526 0.119 25573 9616 1 17 . 1 1 101 101 SER CA C 101 56.852 56.852 60.392 -3.540 25573 9617 1 17 . 1 1 101 101 SER CB C 101 61.739 61.739 63.829 -2.090 25573 9618 1 17 . 1 1 101 101 SER H H 101 8.079 8.079 8.504 -0.425 25573 9619 1 17 . 1 1 102 102 THR N N 102 110.147 110.147 110.668 -0.521 25573 9620 1 17 . 1 1 102 102 THR HA H 102 5.450 5.450 5.114 0.336 25573 9621 1 17 . 1 1 102 102 THR CA C 102 56.522 56.522 59.954 -3.432 25573 9622 1 17 . 1 1 102 102 THR CB C 102 71.007 71.007 72.222 -1.215 25573 9623 1 17 . 1 1 102 102 THR H H 102 7.276 7.276 7.495 -0.219 25573 9624 1 17 . 1 1 103 103 ALA N N 103 124.013 124.013 124.409 -0.396 25573 9625 1 17 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.062 -0.108 25573 9626 1 17 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.873 -3.595 25573 9627 1 17 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.606 -2.922 25573 9628 1 17 . 1 1 103 103 ALA H H 103 8.433 8.433 8.533 -0.100 25573 9629 1 17 . 1 1 104 104 ALA N N 104 119.649 119.649 120.536 -0.887 25573 9630 1 17 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.068 0.218 25573 9631 1 17 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.621 -2.319 25573 9632 1 17 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.114 -1.595 25573 9633 1 17 . 1 1 104 104 ALA H H 104 8.474 8.474 8.256 0.218 25573 9634 1 17 . 1 1 105 105 ALA N N 105 120.587 120.587 121.486 -0.899 25573 9635 1 17 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.879 0.385 25573 9636 1 17 . 1 1 105 105 ALA CA C 105 52.198 52.198 55.215 -3.017 25573 9637 1 17 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.417 -2.672 25573 9638 1 17 . 1 1 105 105 ALA H H 105 8.050 8.050 7.751 0.299 25573 9639 1 17 . 1 1 106 106 ALA N N 106 121.752 121.752 121.217 0.535 25573 9640 1 17 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.915 -0.648 25573 9641 1 17 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.023 -3.511 25573 9642 1 17 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.184 -2.136 25573 9643 1 17 . 1 1 106 106 ALA H H 106 8.071 8.071 7.846 0.225 25573 9644 1 17 . 1 1 107 107 GLU N N 107 119.133 119.133 119.316 -0.183 25573 9645 1 17 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.909 -0.050 25573 9646 1 17 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.767 -2.432 25573 9647 1 17 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.705 -2.596 25573 9648 1 17 . 1 1 107 107 GLU H H 107 8.711 8.711 7.870 0.841 25573 9649 1 17 . 1 1 108 108 ASN N N 108 118.306 118.306 118.517 -0.211 25573 9650 1 17 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.487 0.114 25573 9651 1 17 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.030 -2.059 25573 9652 1 17 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.384 -2.932 25573 9653 1 17 . 1 1 108 108 ASN H H 108 8.045 8.045 8.511 -0.466 25573 9654 1 17 . 1 1 109 109 MET N N 109 120.038 120.038 119.630 0.408 25573 9655 1 17 . 1 1 109 109 MET HA H 109 4.305 4.305 4.134 0.171 25573 9656 1 17 . 1 1 109 109 MET CA C 109 55.602 55.602 59.141 -3.539 25573 9657 1 17 . 1 1 109 109 MET CB C 109 29.771 29.771 32.626 -2.855 25573 9658 1 17 . 1 1 109 109 MET H H 109 8.401 8.401 8.254 0.147 25573 9659 1 17 . 1 1 110 110 TYR N N 110 121.616 121.616 120.201 1.415 25573 9660 1 17 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.088 -0.425 25573 9661 1 17 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.175 -2.250 25573 9662 1 17 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.317 -2.391 25573 9663 1 17 . 1 1 110 110 TYR H H 110 8.651 8.651 8.421 0.230 25573 9664 1 17 . 1 1 111 111 SER N N 111 110.621 110.621 113.830 -3.209 25573 9665 1 17 . 1 1 111 111 SER HA H 111 4.540 4.540 4.232 0.308 25573 9666 1 17 . 1 1 111 111 SER CA C 111 58.395 58.395 61.680 -3.285 25573 9667 1 17 . 1 1 111 111 SER CB C 111 60.600 60.600 63.024 -2.424 25573 9668 1 17 . 1 1 111 111 SER H H 111 7.394 7.394 7.967 -0.573 25573 9669 1 17 . 1 1 112 112 GLN N N 112 125.643 125.643 121.694 3.949 25573 9670 1 17 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.052 0.007 25573 9671 1 17 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.603 -2.520 25573 9672 1 17 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.754 -3.109 25573 9673 1 17 . 1 1 112 112 GLN H H 112 8.774 8.774 8.429 0.345 25573 9674 1 17 . 1 1 113 113 MET N N 113 114.866 114.866 115.288 -0.422 25573 9675 1 17 . 1 1 113 113 MET HA H 113 4.275 4.275 4.321 -0.046 25573 9676 1 17 . 1 1 113 113 MET CA C 113 53.246 53.246 55.890 -2.644 25573 9677 1 17 . 1 1 113 113 MET CB C 113 31.365 31.365 33.050 -1.685 25573 9678 1 17 . 1 1 113 113 MET H H 113 8.070 8.070 7.871 0.199 25573 9679 1 17 . 1 1 114 114 GLY N N 114 107.252 107.252 105.384 1.868 25573 9680 1 17 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.129 -2.169 25573 9681 1 17 . 1 1 114 114 GLY H H 114 8.012 8.012 7.777 0.235 25573 9682 1 17 . 1 1 115 115 LEU N N 115 114.939 114.939 117.624 -2.685 25573 9683 1 17 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.276 -0.401 25573 9684 1 17 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.320 -1.111 25573 9685 1 17 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.929 -6.471 25573 9686 1 17 . 1 1 115 115 LEU H H 115 7.447 7.447 7.535 -0.088 25573 9687 1 17 . 1 1 116 116 ASP N N 116 116.423 116.423 117.422 -0.999 25573 9688 1 17 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.816 -0.146 25573 9689 1 17 . 1 1 116 116 ASP CA C 116 52.303 52.303 52.992 -0.689 25573 9690 1 17 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.824 -6.505 25573 9691 1 17 . 1 1 116 116 ASP H H 116 8.518 8.518 7.328 1.190 25573 9692 1 17 . 1 1 117 117 THR N N 117 113.582 113.582 109.983 3.599 25573 9693 1 17 . 1 1 117 117 THR HA H 117 4.194 4.194 4.481 -0.287 25573 9694 1 17 . 1 1 117 117 THR CA C 117 58.925 58.925 61.512 -2.587 25573 9695 1 17 . 1 1 117 117 THR CB C 117 67.320 67.320 69.235 -1.915 25573 9696 1 17 . 1 1 117 117 THR H H 117 7.240 7.240 8.232 -0.992 25573 9697 1 17 . 1 1 118 118 ARG N N 118 126.068 126.068 122.488 3.580 25573 9698 1 17 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.742 -0.176 25573 9699 1 17 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.084 -1.741 25573 9700 1 17 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.683 2.025 25573 9701 1 17 . 1 1 118 118 ARG H H 118 8.711 8.711 7.943 0.768 25573 9702 1 17 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.563 -2.485 25573 9703 1 17 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.815 -2.772 25573 9704 1 17 . 1 1 120 120 SER N N 120 116.251 116.251 119.246 -2.995 25573 9705 1 17 . 1 1 120 120 SER HA H 120 4.385 4.385 4.746 -0.361 25573 9706 1 17 . 1 1 120 120 SER CA C 120 55.352 55.352 57.723 -2.371 25573 9707 1 17 . 1 1 120 120 SER CB C 120 61.037 61.037 64.837 -3.800 25573 9708 1 17 . 1 1 120 120 SER H H 120 8.385 8.385 8.506 -0.121 25573 9709 1 17 . 1 1 121 121 MET N N 121 123.171 123.171 120.114 3.057 25573 9710 1 17 . 1 1 121 121 MET HA H 121 4.289 4.289 4.618 -0.329 25573 9711 1 17 . 1 1 121 121 MET CA C 121 53.282 53.282 55.421 -2.139 25573 9712 1 17 . 1 1 121 121 MET CB C 121 30.755 30.755 33.649 -2.894 25573 9713 1 17 . 1 1 121 121 MET H H 121 8.297 8.297 8.170 0.127 25573 9714 1 17 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.087 0.171 25573 9715 1 17 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.568 -3.899 25573 9716 1 17 . 1 1 123 123 GLU N N 123 122.135 122.135 118.659 3.476 25573 9717 1 17 . 1 1 123 123 GLU CA C 123 47.903 47.903 55.930 -8.027 25573 9718 1 17 . 1 1 123 123 GLU CB C 123 30.404 30.404 31.055 -0.652 25573 9719 1 17 . 1 1 123 123 GLU H H 123 8.505 8.505 8.401 0.104 25573 9720 1 17 . 1 1 124 124 ALA N N 124 125.340 125.340 121.792 3.548 25573 9721 1 17 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.122 0.209 25573 9722 1 17 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.455 -2.622 25573 9723 1 17 . 1 1 124 124 ALA CB C 124 16.665 16.665 18.571 -1.906 25573 9724 1 17 . 1 1 124 124 ALA H H 124 8.422 8.422 8.518 -0.096 25573 9725 1 17 . 1 1 125 125 GLY N N 125 108.426 108.426 110.890 -2.464 25573 9726 1 17 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.066 -1.325 25573 9727 1 17 . 1 1 125 125 GLY H H 125 8.401 8.401 8.567 -0.166 25573 9728 1 17 . 1 1 126 126 GLY N N 126 109.792 109.792 108.441 1.351 25573 9729 1 17 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.816 -2.569 25573 9730 1 17 . 1 1 126 126 GLY H H 126 8.515 8.515 7.705 0.810 25573 9731 1 17 . 1 1 127 127 LYS N N 127 120.366 120.366 120.935 -0.569 25573 9732 1 17 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.539 -0.218 25573 9733 1 17 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.238 -2.694 25573 9734 1 17 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.760 -3.408 25573 9735 1 17 . 1 1 127 127 LYS H H 127 8.244 8.244 8.333 -0.089 25573 9736 1 17 . 1 1 128 128 GLU N N 128 122.270 122.270 125.398 -3.128 25573 9737 1 17 . 1 1 128 128 GLU CA C 128 56.044 56.044 55.967 0.077 25573 9738 1 17 . 1 1 128 128 GLU H H 128 8.559 8.559 8.489 0.070 25573 9739 1 17 . 1 1 129 129 GLU N N 129 122.282 122.282 121.498 0.784 25573 9740 1 17 . 1 1 129 129 GLU CA C 129 56.536 56.536 55.768 0.768 25573 9741 1 17 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.003 -0.814 25573 9742 1 17 . 1 1 129 129 GLU H H 129 8.027 8.027 8.618 -0.591 25573 9743 1 17 . 1 1 130 130 GLY N N 130 110.258 110.258 111.610 -1.352 25573 9744 1 17 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.685 -3.025 25573 9745 1 17 . 1 1 130 130 GLY H H 130 10.190 10.190 8.384 1.806 25573 9746 1 17 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.493 -0.114 25573 9747 1 17 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.733 -2.264 25573 9748 1 17 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.639 -3.408 25573 9749 1 17 . 1 1 133 133 GLN N N 133 119.932 119.932 118.178 1.754 25573 9750 1 17 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.544 -0.225 25573 9751 1 17 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.056 -1.807 25573 9752 1 17 . 1 1 133 133 GLN CB C 133 29.655 29.655 30.012 -0.357 25573 9753 1 17 . 1 1 133 133 GLN H H 133 8.478 8.478 8.346 0.132 25573 9754 1 17 . 1 1 134 134 ALA N N 134 124.828 124.828 126.487 -1.659 25573 9755 1 17 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.240 0.009 25573 9756 1 17 . 1 1 134 134 ALA CA C 134 49.692 49.692 53.594 -3.902 25573 9757 1 17 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.223 -3.199 25573 9758 1 17 . 1 1 134 134 ALA H H 134 8.263 8.263 8.523 -0.260 25573 9759 1 18 . 1 1 3 3 ASN N N 3 119.366 119.366 116.928 2.438 25573 9760 1 18 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.594 -0.011 25573 9761 1 18 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.001 -1.610 25573 9762 1 18 . 1 1 3 3 ASN CB C 3 35.712 35.712 39.554 -3.842 25573 9763 1 18 . 1 1 3 3 ASN H H 3 8.596 8.596 8.158 0.438 25573 9764 1 18 . 1 1 4 4 GLY N N 4 112.829 112.829 106.964 5.865 25573 9765 1 18 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.236 -2.534 25573 9766 1 18 . 1 1 4 4 GLY H H 4 8.073 8.073 8.597 -0.524 25573 9767 1 18 . 1 1 5 5 ALA N N 5 123.630 123.630 124.171 -0.541 25573 9768 1 18 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.401 0.002 25573 9769 1 18 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.098 -2.458 25573 9770 1 18 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.642 -3.228 25573 9771 1 18 . 1 1 5 5 ALA H H 5 8.008 8.008 7.773 0.235 25573 9772 1 18 . 1 1 6 6 SER N N 6 114.866 114.866 118.384 -3.518 25573 9773 1 18 . 1 1 6 6 SER HA H 6 4.270 4.270 4.694 -0.424 25573 9774 1 18 . 1 1 6 6 SER CA C 6 56.023 56.023 57.504 -1.481 25573 9775 1 18 . 1 1 6 6 SER CB C 6 60.936 60.936 63.586 -2.650 25573 9776 1 18 . 1 1 6 6 SER H H 6 8.293 8.293 8.581 -0.288 25573 9777 1 18 . 1 1 7 7 ARG N N 7 119.250 119.250 123.999 -4.749 25573 9778 1 18 . 1 1 7 7 ARG CA C 7 59.506 59.506 60.492 -0.986 25573 9779 1 18 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.272 0.150 25573 9780 1 18 . 1 1 7 7 ARG H H 7 8.305 8.305 8.332 -0.027 25573 9781 1 18 . 1 1 8 8 ASP N N 8 119.662 119.662 117.564 2.098 25573 9782 1 18 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.355 -0.202 25573 9783 1 18 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.307 -1.753 25573 9784 1 18 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.198 -13.697 25573 9785 1 18 . 1 1 8 8 ASP H H 8 7.915 7.915 8.910 -0.995 25573 9786 1 18 . 1 1 9 9 TRP N N 9 121.861 121.861 121.323 0.538 25573 9787 1 18 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.471 -0.355 25573 9788 1 18 . 1 1 9 9 TRP CA C 9 55.962 55.962 59.338 -3.376 25573 9789 1 18 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.660 -1.638 25573 9790 1 18 . 1 1 9 9 TRP H H 9 8.222 8.222 7.493 0.729 25573 9791 1 18 . 1 1 10 10 LYS N N 10 118.681 118.681 119.632 -0.951 25573 9792 1 18 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.866 0.416 25573 9793 1 18 . 1 1 10 10 LYS CA C 10 58.899 58.899 60.036 -1.137 25573 9794 1 18 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.492 -4.453 25573 9795 1 18 . 1 1 10 10 LYS H H 10 8.003 8.003 8.412 -0.409 25573 9796 1 18 . 1 1 11 11 MET N N 11 119.366 119.366 117.783 1.583 25573 9797 1 18 . 1 1 11 11 MET HA H 11 4.559 4.559 4.245 0.314 25573 9798 1 18 . 1 1 11 11 MET CA C 11 53.485 53.485 58.229 -4.744 25573 9799 1 18 . 1 1 11 11 MET H H 11 8.041 8.041 8.515 -0.474 25573 9800 1 18 . 1 1 12 12 ALA N N 12 122.650 122.650 122.991 -0.341 25573 9801 1 18 . 1 1 12 12 ALA HA H 12 4.209 4.209 3.971 0.238 25573 9802 1 18 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.982 4.817 25573 9803 1 18 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.103 -0.331 25573 9804 1 18 . 1 1 12 12 ALA H H 12 7.904 7.904 7.630 0.274 25573 9805 1 18 . 1 1 13 13 ILE N N 13 117.322 117.322 118.548 -1.226 25573 9806 1 18 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.607 0.971 25573 9807 1 18 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.461 -7.558 25573 9808 1 18 . 1 1 13 13 ILE H H 13 8.380 8.380 7.888 0.492 25573 9809 1 18 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.589 1.327 25573 9810 1 18 . 1 1 16 16 CYS N N 16 116.263 116.263 120.284 -4.021 25573 9811 1 18 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.262 -0.217 25573 9812 1 18 . 1 1 16 16 CYS CA C 16 59.784 59.784 63.728 -3.944 25573 9813 1 18 . 1 1 16 16 CYS CB C 16 28.810 28.810 27.207 1.603 25573 9814 1 18 . 1 1 16 16 CYS H H 16 7.799 7.799 8.415 -0.616 25573 9815 1 18 . 1 1 17 17 SER N N 17 114.606 114.606 115.587 -0.981 25573 9816 1 18 . 1 1 17 17 SER HA H 17 4.952 4.952 4.349 0.603 25573 9817 1 18 . 1 1 17 17 SER CA C 17 58.171 58.171 62.050 -3.878 25573 9818 1 18 . 1 1 17 17 SER CB C 17 60.740 60.740 62.802 -2.062 25573 9819 1 18 . 1 1 17 17 SER H H 17 7.830 7.830 8.797 -0.967 25573 9820 1 18 . 1 1 18 18 ASN N N 18 116.143 116.143 119.284 -3.141 25573 9821 1 18 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.561 0.447 25573 9822 1 18 . 1 1 18 18 ASN CA C 18 50.475 50.475 54.591 -4.116 25573 9823 1 18 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.950 -1.661 25573 9824 1 18 . 1 1 18 18 ASN H H 18 7.557 7.557 7.603 -0.046 25573 9825 1 18 . 1 1 19 19 VAL N N 19 121.616 121.616 114.110 7.506 25573 9826 1 18 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.205 -0.706 25573 9827 1 18 . 1 1 19 19 VAL CA C 19 59.730 59.730 63.159 -3.429 25573 9828 1 18 . 1 1 19 19 VAL CB C 19 29.042 29.042 32.792 -3.750 25573 9829 1 18 . 1 1 19 19 VAL H H 19 7.919 7.919 7.779 0.140 25573 9830 1 18 . 1 1 20 20 ALA N N 20 129.139 129.139 125.585 3.554 25573 9831 1 18 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.475 0.320 25573 9832 1 18 . 1 1 20 20 ALA C C 20 169.500 169.500 177.940 -8.440 25573 9833 1 18 . 1 1 20 20 ALA CA C 20 49.415 49.415 50.022 -0.607 25573 9834 1 18 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.365 -3.649 25573 9835 1 18 . 1 1 20 20 ALA H H 20 8.150 8.150 7.444 0.706 25573 9836 1 18 . 1 1 21 21 VAL N N 21 120.390 120.390 117.051 3.339 25573 9837 1 18 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.385 0.382 25573 9838 1 18 . 1 1 21 21 VAL CA C 21 63.578 63.578 62.770 0.808 25573 9839 1 18 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.297 -1.551 25573 9840 1 18 . 1 1 21 21 VAL H H 21 8.319 8.319 7.900 0.419 25573 9841 1 18 . 1 1 22 22 GLY N N 22 108.884 108.884 107.394 1.490 25573 9842 1 18 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.774 -1.806 25573 9843 1 18 . 1 1 22 22 GLY H H 22 8.221 8.221 7.315 0.906 25573 9844 1 18 . 1 1 23 23 VAL N N 23 117.439 117.439 118.154 -0.715 25573 9845 1 18 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.930 0.308 25573 9846 1 18 . 1 1 23 23 VAL CA C 23 59.088 59.088 64.046 -4.958 25573 9847 1 18 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.079 -1.645 25573 9848 1 18 . 1 1 23 23 VAL H H 23 8.003 8.003 8.337 -0.334 25573 9849 1 18 . 1 1 24 24 GLY N N 24 112.616 112.616 104.936 7.680 25573 9850 1 18 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.472 -1.693 25573 9851 1 18 . 1 1 24 24 GLY H H 24 8.716 8.716 7.833 0.883 25573 9852 1 18 . 1 1 25 25 GLY N N 25 108.753 108.753 109.004 -0.251 25573 9853 1 18 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.119 -3.119 25573 9854 1 18 . 1 1 25 25 GLY H H 25 8.286 8.286 8.322 -0.036 25573 9855 1 18 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.401 -0.025 25573 9856 1 18 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.135 -2.623 25573 9857 1 18 . 1 1 27 27 SER HA H 27 4.922 4.922 4.502 0.420 25573 9858 1 18 . 1 1 27 27 SER CA C 27 56.876 56.876 57.866 -0.990 25573 9859 1 18 . 1 1 27 27 SER CB C 27 64.578 64.578 62.770 1.808 25573 9860 1 18 . 1 1 27 27 SER H H 27 7.831 7.831 8.649 -0.818 25573 9861 1 18 . 1 1 28 28 LYS N N 28 122.919 122.919 122.629 0.290 25573 9862 1 18 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.486 -0.302 25573 9863 1 18 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.455 1.084 25573 9864 1 18 . 1 1 28 28 LYS CB C 28 33.366 33.366 34.602 -1.236 25573 9865 1 18 . 1 1 28 28 LYS H H 28 8.589 8.589 7.687 0.902 25573 9866 1 18 . 1 1 29 29 LYS N N 29 120.917 120.917 120.097 0.820 25573 9867 1 18 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.342 0.041 25573 9868 1 18 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.098 -1.563 25573 9869 1 18 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.349 -2.273 25573 9870 1 18 . 1 1 29 29 LYS H H 29 8.471 8.471 8.084 0.387 25573 9871 1 18 . 1 1 30 30 PHE N N 30 119.366 119.366 117.874 1.492 25573 9872 1 18 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.495 -0.637 25573 9873 1 18 . 1 1 30 30 PHE CA C 30 58.172 58.172 56.993 1.179 25573 9874 1 18 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.470 -2.228 25573 9875 1 18 . 1 1 30 30 PHE H H 30 8.000 8.000 8.077 -0.077 25573 9876 1 18 . 1 1 31 31 GLY N N 31 106.991 106.991 106.496 0.495 25573 9877 1 18 . 1 1 31 31 GLY CA C 31 40.936 40.936 45.344 -4.408 25573 9878 1 18 . 1 1 31 31 GLY H H 31 8.404 8.404 7.823 0.581 25573 9879 1 18 . 1 1 32 32 GLU N N 32 120.491 120.491 121.031 -0.540 25573 9880 1 18 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.149 -0.037 25573 9881 1 18 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.530 -1.359 25573 9882 1 18 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.348 -2.042 25573 9883 1 18 . 1 1 32 32 GLU H H 32 9.168 9.168 8.935 0.233 25573 9884 1 18 . 1 1 33 33 GLY N N 33 109.241 109.241 109.521 -0.280 25573 9885 1 18 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.830 -3.239 25573 9886 1 18 . 1 1 33 33 GLY H H 33 8.613 8.613 8.573 0.040 25573 9887 1 18 . 1 1 34 34 ASN N N 34 118.241 118.241 120.581 -2.340 25573 9888 1 18 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.400 -0.362 25573 9889 1 18 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.960 -1.497 25573 9890 1 18 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.271 -1.877 25573 9891 1 18 . 1 1 34 34 ASN H H 34 7.897 7.897 7.518 0.379 25573 9892 1 18 . 1 1 35 35 PHE N N 35 117.116 117.116 119.575 -2.459 25573 9893 1 18 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.076 0.012 25573 9894 1 18 . 1 1 35 35 PHE CA C 35 59.312 59.312 61.119 -1.807 25573 9895 1 18 . 1 1 35 35 PHE CB C 35 35.828 35.828 38.139 -2.311 25573 9896 1 18 . 1 1 35 35 PHE H H 35 7.180 7.180 7.745 -0.565 25573 9897 1 18 . 1 1 36 36 ARG N N 36 117.825 117.825 117.908 -0.083 25573 9898 1 18 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.008 -0.436 25573 9899 1 18 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.129 -0.887 25573 9900 1 18 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.568 4.429 25573 9901 1 18 . 1 1 36 36 ARG H H 36 8.278 8.278 8.426 -0.148 25573 9902 1 18 . 1 1 37 37 TRP N N 37 118.845 118.845 122.152 -3.307 25573 9903 1 18 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.292 -0.158 25573 9904 1 18 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.394 -2.494 25573 9905 1 18 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.213 -1.764 25573 9906 1 18 . 1 1 37 37 TRP H H 37 8.106 8.106 7.908 0.198 25573 9907 1 18 . 1 1 38 38 ALA N N 38 119.609 119.609 122.226 -2.617 25573 9908 1 18 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.440 0.989 25573 9909 1 18 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.621 -1.728 25573 9910 1 18 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.543 -2.144 25573 9911 1 18 . 1 1 38 38 ALA H H 38 8.332 8.332 7.923 0.409 25573 9912 1 18 . 1 1 39 39 ILE N N 39 114.866 114.866 118.984 -4.118 25573 9913 1 18 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.523 0.841 25573 9914 1 18 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.570 -9.986 25573 9915 1 18 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.562 -6.070 25573 9916 1 18 . 1 1 39 39 ILE H H 39 8.161 8.161 8.580 -0.419 25573 9917 1 18 . 1 1 40 40 ARG N N 40 120.240 120.240 119.452 0.788 25573 9918 1 18 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.814 0.252 25573 9919 1 18 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.848 -3.209 25573 9920 1 18 . 1 1 40 40 ARG CB C 40 29.809 29.809 30.020 -0.211 25573 9921 1 18 . 1 1 40 40 ARG H H 40 8.446 8.446 7.607 0.839 25573 9922 1 18 . 1 1 41 41 MET HA H 41 4.305 4.305 3.943 0.362 25573 9923 1 18 . 1 1 41 41 MET CA C 41 53.585 53.585 58.700 -5.114 25573 9924 1 18 . 1 1 41 41 MET CB C 41 29.902 29.902 32.220 -2.318 25573 9925 1 18 . 1 1 42 42 ALA N N 42 122.782 122.782 120.287 2.495 25573 9926 1 18 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.976 0.572 25573 9927 1 18 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.833 -2.557 25573 9928 1 18 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.204 -1.344 25573 9929 1 18 . 1 1 42 42 ALA H H 42 8.556 8.556 7.629 0.927 25573 9930 1 18 . 1 1 43 43 ASN N N 43 119.366 119.366 117.047 2.319 25573 9931 1 18 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.474 0.220 25573 9932 1 18 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.720 -5.383 25573 9933 1 18 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.458 -2.767 25573 9934 1 18 . 1 1 43 43 ASN H H 43 8.613 8.613 8.283 0.330 25573 9935 1 18 . 1 1 44 44 VAL N N 44 118.466 118.466 118.946 -0.480 25573 9936 1 18 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.934 -0.035 25573 9937 1 18 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.358 -2.264 25573 9938 1 18 . 1 1 44 44 VAL CB C 44 28.921 28.921 32.319 -3.398 25573 9939 1 18 . 1 1 44 44 VAL H H 44 8.464 8.464 7.770 0.694 25573 9940 1 18 . 1 1 45 45 SER N N 45 113.763 113.763 115.765 -2.002 25573 9941 1 18 . 1 1 45 45 SER HA H 45 4.328 4.328 4.108 0.220 25573 9942 1 18 . 1 1 45 45 SER CA C 45 58.553 58.553 61.295 -2.742 25573 9943 1 18 . 1 1 45 45 SER CB C 45 61.343 61.343 63.417 -2.074 25573 9944 1 18 . 1 1 45 45 SER H H 45 7.963 7.963 8.389 -0.426 25573 9945 1 18 . 1 1 46 46 THR N N 46 106.729 106.729 110.490 -3.761 25573 9946 1 18 . 1 1 46 46 THR HA H 46 4.602 4.602 4.563 0.039 25573 9947 1 18 . 1 1 46 46 THR CA C 46 58.026 58.026 61.023 -2.997 25573 9948 1 18 . 1 1 46 46 THR CB C 46 67.285 67.285 69.278 -1.993 25573 9949 1 18 . 1 1 46 46 THR H H 46 7.560 7.560 7.749 -0.189 25573 9950 1 18 . 1 1 47 47 GLY N N 47 109.384 109.384 110.540 -1.156 25573 9951 1 18 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.709 -1.900 25573 9952 1 18 . 1 1 47 47 GLY H H 47 7.539 7.539 7.801 -0.262 25573 9953 1 18 . 1 1 48 48 ARG N N 48 120.563 120.563 120.967 -0.404 25573 9954 1 18 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.363 -0.010 25573 9955 1 18 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.505 -4.166 25573 9956 1 18 . 1 1 48 48 ARG CB C 48 29.760 29.760 30.833 -1.073 25573 9957 1 18 . 1 1 48 48 ARG H H 48 8.220 8.220 8.055 0.165 25573 9958 1 18 . 1 1 49 49 GLU N N 49 122.874 122.874 120.934 1.940 25573 9959 1 18 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.045 0.277 25573 9960 1 18 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.911 -2.777 25573 9961 1 18 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.499 -0.395 25573 9962 1 18 . 1 1 49 49 GLU H H 49 8.661 8.661 8.488 0.173 25573 9963 1 18 . 1 1 50 50 PRO CA C 50 65.894 65.894 63.794 2.100 25573 9964 1 18 . 1 1 51 51 GLY N N 51 102.859 102.859 109.048 -6.189 25573 9965 1 18 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.003 -2.926 25573 9966 1 18 . 1 1 51 51 GLY H H 51 8.368 8.368 7.933 0.435 25573 9967 1 18 . 1 1 52 52 ASP N N 52 120.491 120.491 122.876 -2.385 25573 9968 1 18 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.668 -0.288 25573 9969 1 18 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.038 -2.357 25573 9970 1 18 . 1 1 52 52 ASP CB C 52 37.801 37.801 44.524 -6.723 25573 9971 1 18 . 1 1 52 52 ASP H H 52 7.204 7.204 7.945 -0.741 25573 9972 1 18 . 1 1 53 53 ILE N N 53 127.662 127.662 122.669 4.993 25573 9973 1 18 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.366 0.164 25573 9974 1 18 . 1 1 53 53 ILE CA C 53 54.127 54.127 59.483 -5.356 25573 9975 1 18 . 1 1 53 53 ILE CB C 53 35.495 35.495 39.535 -4.040 25573 9976 1 18 . 1 1 53 53 ILE H H 53 8.255 8.255 7.960 0.295 25573 9977 1 18 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.581 -0.095 25573 9978 1 18 . 1 1 54 54 PRO CA C 54 60.119 60.119 63.040 -2.921 25573 9979 1 18 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.651 -3.856 25573 9980 1 18 . 1 1 55 55 GLU N N 55 117.116 117.116 120.920 -3.804 25573 9981 1 18 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.513 -0.007 25573 9982 1 18 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.180 -1.897 25573 9983 1 18 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.985 -0.303 25573 9984 1 18 . 1 1 55 55 GLU H H 55 8.580 8.580 8.424 0.156 25573 9985 1 18 . 1 1 56 56 THR N N 56 105.122 105.122 113.104 -7.982 25573 9986 1 18 . 1 1 56 56 THR HA H 56 4.832 4.832 4.507 0.325 25573 9987 1 18 . 1 1 56 56 THR CA C 56 55.381 55.381 61.389 -6.008 25573 9988 1 18 . 1 1 56 56 THR CB C 56 70.771 70.771 71.145 -0.374 25573 9989 1 18 . 1 1 56 56 THR H H 56 7.367 7.367 7.787 -0.420 25573 9990 1 18 . 1 1 57 57 LEU N N 57 122.564 122.564 127.031 -4.467 25573 9991 1 18 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.035 0.397 25573 9992 1 18 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.216 -1.807 25573 9993 1 18 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.612 -3.751 25573 9994 1 18 . 1 1 57 57 LEU H H 57 9.222 9.222 8.889 0.333 25573 9995 1 18 . 1 1 58 58 ASP N N 58 119.366 119.366 118.386 0.980 25573 9996 1 18 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.690 0.591 25573 9997 1 18 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.842 -3.485 25573 9998 1 18 . 1 1 58 58 ASP H H 58 8.570 8.570 8.480 0.090 25573 9999 1 18 . 1 1 59 59 GLN N N 59 118.241 118.241 119.758 -1.517 25573 10000 1 18 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.099 -0.067 25573 10001 1 18 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.853 -2.936 25573 10002 1 18 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.766 -2.692 25573 10003 1 18 . 1 1 59 59 GLN H H 59 7.823 7.823 7.557 0.266 25573 10004 1 18 . 1 1 60 60 LEU N N 60 121.691 121.691 120.800 0.891 25573 10005 1 18 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.948 0.131 25573 10006 1 18 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.715 -3.444 25573 10007 1 18 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.903 5.734 25573 10008 1 18 . 1 1 60 60 LEU H H 60 8.187 8.187 8.242 -0.055 25573 10009 1 18 . 1 1 61 61 ARG N N 61 117.960 117.960 119.056 -1.096 25573 10010 1 18 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.056 0.010 25573 10011 1 18 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.301 -3.119 25573 10012 1 18 . 1 1 61 61 ARG CB C 61 28.916 28.916 29.878 -0.962 25573 10013 1 18 . 1 1 61 61 ARG H H 61 9.133 9.133 7.877 1.256 25573 10014 1 18 . 1 1 62 62 LEU N N 62 118.408 118.408 119.742 -1.334 25573 10015 1 18 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.146 -0.120 25573 10016 1 18 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.606 -1.526 25573 10017 1 18 . 1 1 62 62 LEU CB C 62 38.364 38.364 40.980 -2.616 25573 10018 1 18 . 1 1 62 62 LEU H H 62 7.817 7.817 7.860 -0.043 25573 10019 1 18 . 1 1 63 63 VAL N N 63 119.177 119.177 120.387 -1.210 25573 10020 1 18 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.627 -0.090 25573 10021 1 18 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.011 -2.510 25573 10022 1 18 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.136 -2.252 25573 10023 1 18 . 1 1 63 63 VAL H H 63 7.368 7.368 7.807 -0.439 25573 10024 1 18 . 1 1 64 64 ILE N N 64 119.068 119.068 119.929 -0.861 25573 10025 1 18 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.617 -0.077 25573 10026 1 18 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.641 -1.160 25573 10027 1 18 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.507 -2.795 25573 10028 1 18 . 1 1 64 64 ILE H H 64 8.320 8.320 7.809 0.511 25573 10029 1 18 . 1 1 65 65 CYS N N 65 119.131 119.131 119.290 -0.159 25573 10030 1 18 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.204 0.126 25573 10031 1 18 . 1 1 65 65 CYS CA C 65 60.908 60.908 63.769 -2.861 25573 10032 1 18 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.604 -2.712 25573 10033 1 18 . 1 1 65 65 CYS H H 65 9.076 9.076 7.953 1.123 25573 10034 1 18 . 1 1 66 66 ASP N N 66 120.537 120.537 121.207 -0.670 25573 10035 1 18 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.393 -0.081 25573 10036 1 18 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.264 0.500 25573 10037 1 18 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.857 -2.672 25573 10038 1 18 . 1 1 66 66 ASP H H 66 8.512 8.512 8.247 0.265 25573 10039 1 18 . 1 1 67 67 LEU N N 67 119.364 119.364 120.373 -1.009 25573 10040 1 18 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.918 0.052 25573 10041 1 18 . 1 1 67 67 LEU CA C 67 56.986 56.986 57.911 -0.925 25573 10042 1 18 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.748 -9.002 25573 10043 1 18 . 1 1 67 67 LEU H H 67 8.971 8.971 8.421 0.550 25573 10044 1 18 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.015 0.414 25573 10045 1 18 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.119 -3.354 25573 10046 1 18 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.609 0.192 25573 10047 1 18 . 1 1 70 70 ARG N N 70 122.186 122.186 119.135 3.051 25573 10048 1 18 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.064 0.422 25573 10049 1 18 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.087 -6.554 25573 10050 1 18 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.281 0.060 25573 10051 1 18 . 1 1 70 70 ARG H H 70 8.345 8.345 7.774 0.571 25573 10052 1 18 . 1 1 71 71 ARG N N 71 121.616 121.616 118.346 3.270 25573 10053 1 18 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.087 -1.463 25573 10054 1 18 . 1 1 71 71 ARG CA C 71 54.179 54.179 59.292 -5.113 25573 10055 1 18 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.486 0.521 25573 10056 1 18 . 1 1 71 71 ARG H H 71 8.480 8.480 8.649 -0.169 25573 10057 1 18 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.108 -0.036 25573 10058 1 18 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.748 -2.772 25573 10059 1 18 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.591 -1.839 25573 10060 1 18 . 1 1 74 74 PHE N N 74 115.001 115.001 117.904 -2.903 25573 10061 1 18 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.397 0.425 25573 10062 1 18 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.885 -3.764 25573 10063 1 18 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.243 -2.656 25573 10064 1 18 . 1 1 74 74 PHE H H 74 8.530 8.530 7.725 0.805 25573 10065 1 18 . 1 1 75 75 GLY N N 75 110.366 110.366 107.062 3.304 25573 10066 1 18 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.309 -2.305 25573 10067 1 18 . 1 1 75 75 GLY H H 75 7.799 7.799 7.585 0.214 25573 10068 1 18 . 1 1 76 76 SER N N 76 113.283 113.283 115.737 -2.454 25573 10069 1 18 . 1 1 76 76 SER HA H 76 4.523 4.523 4.709 -0.186 25573 10070 1 18 . 1 1 76 76 SER CA C 76 54.361 54.361 57.867 -3.506 25573 10071 1 18 . 1 1 76 76 SER CB C 76 61.887 61.887 64.336 -2.449 25573 10072 1 18 . 1 1 76 76 SER H H 76 8.417 8.417 8.421 -0.004 25573 10073 1 18 . 1 1 77 77 SER N N 77 114.950 114.950 120.437 -5.487 25573 10074 1 18 . 1 1 77 77 SER HA H 77 4.535 4.535 4.849 -0.314 25573 10075 1 18 . 1 1 77 77 SER CA C 77 53.833 53.833 56.863 -3.030 25573 10076 1 18 . 1 1 77 77 SER CB C 77 63.488 63.488 65.764 -2.276 25573 10077 1 18 . 1 1 77 77 SER H H 77 8.428 8.428 8.467 -0.039 25573 10078 1 18 . 1 1 78 78 LYS N N 78 122.032 122.032 122.487 -0.455 25573 10079 1 18 . 1 1 78 78 LYS HA H 78 4.675 4.675 4.016 0.659 25573 10080 1 18 . 1 1 78 78 LYS CA C 78 54.127 54.127 60.146 -6.019 25573 10081 1 18 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.324 -3.088 25573 10082 1 18 . 1 1 78 78 LYS H H 78 9.044 9.044 8.899 0.145 25573 10083 1 18 . 1 1 79 79 GLU N N 79 118.232 118.232 119.406 -1.174 25573 10084 1 18 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.226 0.066 25573 10085 1 18 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.380 -1.276 25573 10086 1 18 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.712 -2.866 25573 10087 1 18 . 1 1 79 79 GLU H H 79 8.795 8.795 8.261 0.534 25573 10088 1 18 . 1 1 80 80 ILE N N 80 120.491 120.491 120.097 0.394 25573 10089 1 18 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.630 0.099 25573 10090 1 18 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.659 -3.193 25573 10091 1 18 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.659 -1.550 25573 10092 1 18 . 1 1 80 80 ILE H H 80 7.892 7.892 7.949 -0.057 25573 10093 1 18 . 1 1 81 81 ASP N N 81 120.491 120.491 120.401 0.090 25573 10094 1 18 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.427 -0.121 25573 10095 1 18 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.316 -1.942 25573 10096 1 18 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.396 -3.020 25573 10097 1 18 . 1 1 81 81 ASP H H 81 8.424 8.424 8.407 0.017 25573 10098 1 18 . 1 1 82 82 MET N N 82 118.588 118.588 118.697 -0.109 25573 10099 1 18 . 1 1 82 82 MET HA H 82 4.610 4.610 4.154 0.456 25573 10100 1 18 . 1 1 82 82 MET CA C 82 54.472 54.472 58.696 -4.224 25573 10101 1 18 . 1 1 82 82 MET CB C 82 29.557 29.557 32.531 -2.974 25573 10102 1 18 . 1 1 82 82 MET H H 82 8.215 8.215 7.814 0.401 25573 10103 1 18 . 1 1 83 83 ALA N N 83 127.525 127.525 123.834 3.691 25573 10104 1 18 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.308 -0.209 25573 10105 1 18 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.097 -1.189 25573 10106 1 18 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.371 -3.561 25573 10107 1 18 . 1 1 83 83 ALA H H 83 10.165 10.165 7.878 2.287 25573 10108 1 18 . 1 1 84 84 ILE N N 84 115.968 115.968 119.236 -3.268 25573 10109 1 18 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.693 -0.159 25573 10110 1 18 . 1 1 84 84 ILE CA C 84 64.377 64.377 64.381 -0.004 25573 10111 1 18 . 1 1 84 84 ILE CB C 84 35.417 35.417 38.262 -2.845 25573 10112 1 18 . 1 1 84 84 ILE H H 84 8.437 8.437 7.624 0.813 25573 10113 1 18 . 1 1 85 85 VAL N N 85 117.106 117.106 119.343 -2.237 25573 10114 1 18 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.502 0.543 25573 10115 1 18 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.362 -11.437 25573 10116 1 18 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.639 -2.454 25573 10117 1 18 . 1 1 85 85 VAL H H 85 7.835 7.835 7.997 -0.162 25573 10118 1 18 . 1 1 86 86 THR N N 86 116.673 116.673 114.697 1.976 25573 10119 1 18 . 1 1 86 86 THR HA H 86 4.181 4.181 3.886 0.295 25573 10120 1 18 . 1 1 86 86 THR CA C 86 59.627 59.627 66.542 -6.915 25573 10121 1 18 . 1 1 86 86 THR CB C 86 65.856 65.856 68.612 -2.756 25573 10122 1 18 . 1 1 86 86 THR H H 86 8.254 8.254 7.719 0.535 25573 10123 1 18 . 1 1 87 87 LEU N N 87 121.447 121.447 121.964 -0.517 25573 10124 1 18 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.090 0.492 25573 10125 1 18 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.774 -0.918 25573 10126 1 18 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.763 -9.938 25573 10127 1 18 . 1 1 87 87 LEU H H 87 7.913 7.913 8.023 -0.110 25573 10128 1 18 . 1 1 88 88 LYS N N 88 119.505 119.505 119.971 -0.466 25573 10129 1 18 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.551 0.590 25573 10130 1 18 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.598 -3.528 25573 10131 1 18 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.258 -2.370 25573 10132 1 18 . 1 1 88 88 LYS H H 88 7.970 7.970 7.566 0.404 25573 10133 1 18 . 1 1 89 89 VAL N N 89 119.366 119.366 120.088 -0.722 25573 10134 1 18 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.686 0.134 25573 10135 1 18 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.086 -9.130 25573 10136 1 18 . 1 1 89 89 VAL H H 89 8.082 8.082 8.095 -0.013 25573 10137 1 18 . 1 1 90 90 PHE N N 90 119.366 119.366 120.502 -1.136 25573 10138 1 18 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.037 0.387 25573 10139 1 18 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.414 -4.263 25573 10140 1 18 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.192 -2.562 25573 10141 1 18 . 1 1 90 90 PHE H H 90 8.104 8.104 8.298 -0.194 25573 10142 1 18 . 1 1 91 91 ALA N N 91 118.916 118.916 121.054 -2.138 25573 10143 1 18 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.552 0.964 25573 10144 1 18 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.658 -0.246 25573 10145 1 18 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.124 -2.234 25573 10146 1 18 . 1 1 91 91 ALA H H 91 8.187 8.187 7.416 0.771 25573 10147 1 18 . 1 1 92 92 VAL N N 92 113.741 113.741 118.295 -4.554 25573 10148 1 18 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.613 -0.026 25573 10149 1 18 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.598 -3.019 25573 10150 1 18 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.583 -0.791 25573 10151 1 18 . 1 1 92 92 VAL H H 92 8.196 8.196 8.342 -0.146 25573 10152 1 18 . 1 1 93 93 ALA N N 93 119.366 119.366 120.727 -1.361 25573 10153 1 18 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.342 0.352 25573 10154 1 18 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.672 -4.391 25573 10155 1 18 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.257 -1.542 25573 10156 1 18 . 1 1 93 93 ALA H H 93 8.564 8.564 8.149 0.415 25573 10157 1 18 . 1 1 94 94 GLY N N 94 104.958 104.958 106.585 -1.627 25573 10158 1 18 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.620 -1.696 25573 10159 1 18 . 1 1 94 94 GLY H H 94 6.940 6.940 7.633 -0.693 25573 10160 1 18 . 1 1 95 95 LEU N N 95 120.679 120.679 121.331 -0.652 25573 10161 1 18 . 1 1 95 95 LEU HA H 95 4.005 4.005 3.993 0.012 25573 10162 1 18 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.112 -2.708 25573 10163 1 18 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.858 -3.633 25573 10164 1 18 . 1 1 95 95 LEU H H 95 7.724 7.724 7.499 0.225 25573 10165 1 18 . 1 1 96 96 LEU N N 96 115.261 115.261 116.663 -1.402 25573 10166 1 18 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.290 -0.015 25573 10167 1 18 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.784 -2.514 25573 10168 1 18 . 1 1 96 96 LEU CB C 96 38.686 38.686 42.286 -3.600 25573 10169 1 18 . 1 1 96 96 LEU H H 96 7.723 7.723 7.743 -0.020 25573 10170 1 18 . 1 1 97 97 ASN N N 97 112.672 112.672 114.583 -1.911 25573 10171 1 18 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.450 -0.209 25573 10172 1 18 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.368 -3.168 25573 10173 1 18 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.546 -2.101 25573 10174 1 18 . 1 1 97 97 ASN H H 97 6.694 6.694 7.408 -0.714 25573 10175 1 18 . 1 1 98 98 MET N N 98 115.968 115.968 119.020 -3.052 25573 10176 1 18 . 1 1 98 98 MET HA H 98 4.614 4.614 4.283 0.331 25573 10177 1 18 . 1 1 98 98 MET CA C 98 51.685 51.685 57.046 -5.361 25573 10178 1 18 . 1 1 98 98 MET CB C 98 29.808 29.808 32.678 -2.870 25573 10179 1 18 . 1 1 98 98 MET H H 98 8.168 8.168 7.757 0.411 25573 10180 1 18 . 1 1 99 99 THR N N 99 118.683 118.683 114.602 4.081 25573 10181 1 18 . 1 1 99 99 THR HA H 99 4.184 4.184 4.514 -0.330 25573 10182 1 18 . 1 1 99 99 THR CA C 99 59.813 59.813 60.738 -0.925 25573 10183 1 18 . 1 1 99 99 THR CB C 99 65.438 65.438 68.800 -3.362 25573 10184 1 18 . 1 1 99 99 THR H H 99 8.562 8.562 8.275 0.287 25573 10185 1 18 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.298 -0.179 25573 10186 1 18 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.355 -5.654 25573 10187 1 18 . 1 1 100 100 VAL H H 100 8.392 8.392 7.777 0.615 25573 10188 1 18 . 1 1 101 101 SER N N 101 121.736 121.736 120.652 1.084 25573 10189 1 18 . 1 1 101 101 SER HA H 101 4.645 4.645 4.622 0.023 25573 10190 1 18 . 1 1 101 101 SER CA C 101 56.852 56.852 58.385 -1.533 25573 10191 1 18 . 1 1 101 101 SER CB C 101 61.739 61.739 63.175 -1.436 25573 10192 1 18 . 1 1 101 101 SER H H 101 8.079 8.079 8.973 -0.894 25573 10193 1 18 . 1 1 102 102 THR N N 102 110.147 110.147 109.855 0.292 25573 10194 1 18 . 1 1 102 102 THR HA H 102 5.450 5.450 4.911 0.539 25573 10195 1 18 . 1 1 102 102 THR CA C 102 56.522 56.522 60.303 -3.781 25573 10196 1 18 . 1 1 102 102 THR CB C 102 71.007 71.007 71.221 -0.214 25573 10197 1 18 . 1 1 102 102 THR H H 102 7.276 7.276 7.350 -0.074 25573 10198 1 18 . 1 1 103 103 ALA N N 103 124.013 124.013 128.653 -4.640 25573 10199 1 18 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.090 -0.136 25573 10200 1 18 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.474 -3.196 25573 10201 1 18 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.858 -3.174 25573 10202 1 18 . 1 1 103 103 ALA H H 103 8.433 8.433 8.570 -0.137 25573 10203 1 18 . 1 1 104 104 ALA N N 104 119.649 119.649 120.583 -0.934 25573 10204 1 18 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.027 0.259 25573 10205 1 18 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.590 -2.288 25573 10206 1 18 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.214 -1.694 25573 10207 1 18 . 1 1 104 104 ALA H H 104 8.474 8.474 8.274 0.200 25573 10208 1 18 . 1 1 105 105 ALA N N 105 120.587 120.587 120.918 -0.331 25573 10209 1 18 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.055 0.209 25573 10210 1 18 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.779 -2.581 25573 10211 1 18 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.327 -2.582 25573 10212 1 18 . 1 1 105 105 ALA H H 105 8.050 8.050 7.803 0.247 25573 10213 1 18 . 1 1 106 106 ALA N N 106 121.752 121.752 121.400 0.352 25573 10214 1 18 . 1 1 106 106 ALA HA H 106 3.267 3.267 4.020 -0.753 25573 10215 1 18 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.301 -3.791 25573 10216 1 18 . 1 1 106 106 ALA CB C 106 16.048 16.048 17.972 -1.924 25573 10217 1 18 . 1 1 106 106 ALA H H 106 8.071 8.071 7.916 0.155 25573 10218 1 18 . 1 1 107 107 GLU N N 107 119.133 119.133 119.189 -0.056 25573 10219 1 18 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.022 -0.163 25573 10220 1 18 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.658 -2.323 25573 10221 1 18 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.558 -2.450 25573 10222 1 18 . 1 1 107 107 GLU H H 107 8.711 8.711 7.936 0.775 25573 10223 1 18 . 1 1 108 108 ASN N N 108 118.306 118.306 118.702 -0.396 25573 10224 1 18 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.549 0.052 25573 10225 1 18 . 1 1 108 108 ASN CA C 108 53.971 53.971 55.660 -1.689 25573 10226 1 18 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.339 -2.887 25573 10227 1 18 . 1 1 108 108 ASN H H 108 8.045 8.045 8.203 -0.158 25573 10228 1 18 . 1 1 109 109 MET N N 109 120.038 120.038 119.938 0.100 25573 10229 1 18 . 1 1 109 109 MET HA H 109 4.305 4.305 4.237 0.068 25573 10230 1 18 . 1 1 109 109 MET CA C 109 55.602 55.602 57.864 -2.261 25573 10231 1 18 . 1 1 109 109 MET CB C 109 29.771 29.771 31.922 -2.151 25573 10232 1 18 . 1 1 109 109 MET H H 109 8.401 8.401 8.071 0.330 25573 10233 1 18 . 1 1 110 110 TYR N N 110 121.616 121.616 120.811 0.805 25573 10234 1 18 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.104 -0.441 25573 10235 1 18 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.763 -2.838 25573 10236 1 18 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.174 -2.248 25573 10237 1 18 . 1 1 110 110 TYR H H 110 8.651 8.651 8.744 -0.093 25573 10238 1 18 . 1 1 111 111 SER N N 111 110.621 110.621 114.485 -3.864 25573 10239 1 18 . 1 1 111 111 SER HA H 111 4.540 4.540 4.069 0.471 25573 10240 1 18 . 1 1 111 111 SER CA C 111 58.395 58.395 61.642 -3.247 25573 10241 1 18 . 1 1 111 111 SER CB C 111 60.600 60.600 62.956 -2.356 25573 10242 1 18 . 1 1 111 111 SER H H 111 7.394 7.394 8.082 -0.688 25573 10243 1 18 . 1 1 112 112 GLN N N 112 125.643 125.643 122.236 3.407 25573 10244 1 18 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.056 0.003 25573 10245 1 18 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.403 -2.320 25573 10246 1 18 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.788 -3.143 25573 10247 1 18 . 1 1 112 112 GLN H H 112 8.774 8.774 8.034 0.740 25573 10248 1 18 . 1 1 113 113 MET N N 113 114.866 114.866 117.453 -2.587 25573 10249 1 18 . 1 1 113 113 MET HA H 113 4.275 4.275 4.359 -0.084 25573 10250 1 18 . 1 1 113 113 MET CA C 113 53.246 53.246 56.684 -3.438 25573 10251 1 18 . 1 1 113 113 MET CB C 113 31.365 31.365 33.750 -2.385 25573 10252 1 18 . 1 1 113 113 MET H H 113 8.070 8.070 7.672 0.398 25573 10253 1 18 . 1 1 114 114 GLY N N 114 107.252 107.252 105.991 1.261 25573 10254 1 18 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.306 -2.346 25573 10255 1 18 . 1 1 114 114 GLY H H 114 8.012 8.012 7.733 0.279 25573 10256 1 18 . 1 1 115 115 LEU N N 115 114.939 114.939 118.418 -3.479 25573 10257 1 18 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.202 -0.327 25573 10258 1 18 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.026 -1.817 25573 10259 1 18 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.804 -6.346 25573 10260 1 18 . 1 1 115 115 LEU H H 115 7.447 7.447 7.667 -0.220 25573 10261 1 18 . 1 1 116 116 ASP N N 116 116.423 116.423 117.660 -1.237 25573 10262 1 18 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.589 0.081 25573 10263 1 18 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.069 -1.766 25573 10264 1 18 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.499 -5.180 25573 10265 1 18 . 1 1 116 116 ASP H H 116 8.518 8.518 7.277 1.241 25573 10266 1 18 . 1 1 117 117 THR N N 117 113.582 113.582 116.422 -2.840 25573 10267 1 18 . 1 1 117 117 THR HA H 117 4.194 4.194 4.102 0.092 25573 10268 1 18 . 1 1 117 117 THR CA C 117 58.925 58.925 65.139 -6.214 25573 10269 1 18 . 1 1 117 117 THR CB C 117 67.320 67.320 69.250 -1.930 25573 10270 1 18 . 1 1 117 117 THR H H 117 7.240 7.240 8.476 -1.236 25573 10271 1 18 . 1 1 118 118 ARG N N 118 126.068 126.068 119.896 6.172 25573 10272 1 18 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.785 -0.219 25573 10273 1 18 . 1 1 118 118 ARG CA C 118 52.343 52.343 53.208 -0.865 25573 10274 1 18 . 1 1 118 118 ARG CB C 118 33.708 33.708 32.503 1.205 25573 10275 1 18 . 1 1 118 118 ARG H H 118 8.711 8.711 7.941 0.770 25573 10276 1 18 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.557 -2.479 25573 10277 1 18 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.855 -2.812 25573 10278 1 18 . 1 1 120 120 SER N N 120 116.251 116.251 117.138 -0.887 25573 10279 1 18 . 1 1 120 120 SER HA H 120 4.385 4.385 4.665 -0.280 25573 10280 1 18 . 1 1 120 120 SER CA C 120 55.352 55.352 57.438 -2.087 25573 10281 1 18 . 1 1 120 120 SER CB C 120 61.037 61.037 65.222 -4.185 25573 10282 1 18 . 1 1 120 120 SER H H 120 8.385 8.385 8.328 0.057 25573 10283 1 18 . 1 1 121 121 MET N N 121 123.171 123.171 121.228 1.943 25573 10284 1 18 . 1 1 121 121 MET HA H 121 4.289 4.289 4.670 -0.381 25573 10285 1 18 . 1 1 121 121 MET CA C 121 53.282 53.282 55.651 -2.369 25573 10286 1 18 . 1 1 121 121 MET CB C 121 30.755 30.755 33.644 -2.889 25573 10287 1 18 . 1 1 121 121 MET H H 121 8.297 8.297 8.569 -0.272 25573 10288 1 18 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.442 -0.184 25573 10289 1 18 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.852 -3.183 25573 10290 1 18 . 1 1 123 123 GLU N N 123 122.135 122.135 124.479 -2.344 25573 10291 1 18 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.346 -8.443 25573 10292 1 18 . 1 1 123 123 GLU CB C 123 30.404 30.404 29.115 1.289 25573 10293 1 18 . 1 1 123 123 GLU H H 123 8.505 8.505 8.665 -0.160 25573 10294 1 18 . 1 1 124 124 ALA N N 124 125.340 125.340 124.359 0.981 25573 10295 1 18 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.447 -0.116 25573 10296 1 18 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.218 -2.385 25573 10297 1 18 . 1 1 124 124 ALA CB C 124 16.665 16.665 19.872 -3.207 25573 10298 1 18 . 1 1 124 124 ALA H H 124 8.422 8.422 8.042 0.380 25573 10299 1 18 . 1 1 125 125 GLY N N 125 108.426 108.426 106.740 1.686 25573 10300 1 18 . 1 1 125 125 GLY CA C 125 42.741 42.741 44.670 -1.929 25573 10301 1 18 . 1 1 125 125 GLY H H 125 8.401 8.401 8.003 0.398 25573 10302 1 18 . 1 1 126 126 GLY N N 126 109.792 109.792 108.877 0.915 25573 10303 1 18 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.923 -2.676 25573 10304 1 18 . 1 1 126 126 GLY H H 126 8.515 8.515 8.331 0.184 25573 10305 1 18 . 1 1 127 127 LYS N N 127 120.366 120.366 121.283 -0.917 25573 10306 1 18 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.551 -0.230 25573 10307 1 18 . 1 1 127 127 LYS CA C 127 53.544 53.544 55.895 -2.351 25573 10308 1 18 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.523 -2.171 25573 10309 1 18 . 1 1 127 127 LYS H H 127 8.244 8.244 8.190 0.054 25573 10310 1 18 . 1 1 128 128 GLU N N 128 122.270 122.270 123.315 -1.045 25573 10311 1 18 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.633 -0.589 25573 10312 1 18 . 1 1 128 128 GLU H H 128 8.559 8.559 8.558 0.001 25573 10313 1 18 . 1 1 129 129 GLU N N 129 122.282 122.282 121.702 0.580 25573 10314 1 18 . 1 1 129 129 GLU CA C 129 56.536 56.536 55.743 0.793 25573 10315 1 18 . 1 1 129 129 GLU CB C 129 30.189 30.189 31.082 -0.894 25573 10316 1 18 . 1 1 129 129 GLU H H 129 8.027 8.027 8.476 -0.449 25573 10317 1 18 . 1 1 130 130 GLY N N 130 110.258 110.258 111.080 -0.822 25573 10318 1 18 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.575 -2.913 25573 10319 1 18 . 1 1 130 130 GLY H H 130 10.190 10.190 8.398 1.792 25573 10320 1 18 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.301 0.078 25573 10321 1 18 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.720 -3.251 25573 10322 1 18 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.267 -3.037 25573 10323 1 18 . 1 1 133 133 GLN N N 133 119.932 119.932 118.059 1.873 25573 10324 1 18 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.159 0.160 25573 10325 1 18 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.602 -2.353 25573 10326 1 18 . 1 1 133 133 GLN CB C 133 29.655 29.655 28.046 1.609 25573 10327 1 18 . 1 1 133 133 GLN H H 133 8.478 8.478 8.353 0.125 25573 10328 1 18 . 1 1 134 134 ALA N N 134 124.828 124.828 123.730 1.098 25573 10329 1 18 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.384 -0.135 25573 10330 1 18 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.407 -2.715 25573 10331 1 18 . 1 1 134 134 ALA CB C 134 16.024 16.024 18.211 -2.187 25573 10332 1 18 . 1 1 134 134 ALA H H 134 8.263 8.263 8.396 -0.133 25573 10333 1 19 . 1 1 3 3 ASN N N 3 119.366 119.366 117.693 1.673 25573 10334 1 19 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.690 -0.107 25573 10335 1 19 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.367 -1.976 25573 10336 1 19 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.785 -3.073 25573 10337 1 19 . 1 1 3 3 ASN H H 3 8.596 8.596 8.443 0.153 25573 10338 1 19 . 1 1 4 4 GLY N N 4 112.829 112.829 109.553 3.276 25573 10339 1 19 . 1 1 4 4 GLY CA C 4 42.702 42.702 45.211 -2.509 25573 10340 1 19 . 1 1 4 4 GLY H H 4 8.073 8.073 8.081 -0.008 25573 10341 1 19 . 1 1 5 5 ALA N N 5 123.630 123.630 121.188 2.442 25573 10342 1 19 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.533 -0.130 25573 10343 1 19 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.236 -2.596 25573 10344 1 19 . 1 1 5 5 ALA CB C 5 16.414 16.414 20.233 -3.819 25573 10345 1 19 . 1 1 5 5 ALA H H 5 8.008 8.008 7.675 0.333 25573 10346 1 19 . 1 1 6 6 SER N N 6 114.866 114.866 115.574 -0.708 25573 10347 1 19 . 1 1 6 6 SER HA H 6 4.270 4.270 4.712 -0.442 25573 10348 1 19 . 1 1 6 6 SER CA C 6 56.023 56.023 57.415 -1.392 25573 10349 1 19 . 1 1 6 6 SER CB C 6 60.936 60.936 64.144 -3.208 25573 10350 1 19 . 1 1 6 6 SER H H 6 8.293 8.293 8.378 -0.085 25573 10351 1 19 . 1 1 7 7 ARG N N 7 119.250 119.250 122.896 -3.646 25573 10352 1 19 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.420 0.086 25573 10353 1 19 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.285 0.137 25573 10354 1 19 . 1 1 7 7 ARG H H 7 8.305 8.305 8.767 -0.462 25573 10355 1 19 . 1 1 8 8 ASP N N 8 119.662 119.662 118.805 0.857 25573 10356 1 19 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.431 -0.278 25573 10357 1 19 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.299 -1.745 25573 10358 1 19 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.163 -13.662 25573 10359 1 19 . 1 1 8 8 ASP H H 8 7.915 7.915 8.787 -0.872 25573 10360 1 19 . 1 1 9 9 TRP N N 9 121.861 121.861 120.810 1.051 25573 10361 1 19 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.415 -0.299 25573 10362 1 19 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.036 -4.074 25573 10363 1 19 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.761 -1.739 25573 10364 1 19 . 1 1 9 9 TRP H H 9 8.222 8.222 8.072 0.150 25573 10365 1 19 . 1 1 10 10 LYS N N 10 118.681 118.681 119.068 -0.387 25573 10366 1 19 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.855 0.427 25573 10367 1 19 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.901 -1.002 25573 10368 1 19 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.497 -4.458 25573 10369 1 19 . 1 1 10 10 LYS H H 10 8.003 8.003 8.217 -0.214 25573 10370 1 19 . 1 1 11 11 MET N N 11 119.366 119.366 118.187 1.179 25573 10371 1 19 . 1 1 11 11 MET HA H 11 4.559 4.559 4.123 0.436 25573 10372 1 19 . 1 1 11 11 MET CA C 11 53.485 53.485 58.875 -5.390 25573 10373 1 19 . 1 1 11 11 MET H H 11 8.041 8.041 8.441 -0.400 25573 10374 1 19 . 1 1 12 12 ALA N N 12 122.650 122.650 122.883 -0.233 25573 10375 1 19 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.049 0.160 25573 10376 1 19 . 1 1 12 12 ALA CA C 12 59.799 59.799 55.021 4.778 25573 10377 1 19 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.380 -0.608 25573 10378 1 19 . 1 1 12 12 ALA H H 12 7.904 7.904 8.186 -0.282 25573 10379 1 19 . 1 1 13 13 ILE N N 13 117.322 117.322 117.345 -0.023 25573 10380 1 19 . 1 1 13 13 ILE CA C 13 64.578 64.578 62.802 1.776 25573 10381 1 19 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.699 -7.796 25573 10382 1 19 . 1 1 13 13 ILE H H 13 8.380 8.380 7.821 0.559 25573 10383 1 19 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.404 1.512 25573 10384 1 19 . 1 1 16 16 CYS N N 16 116.263 116.263 121.036 -4.773 25573 10385 1 19 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.167 -0.122 25573 10386 1 19 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.147 -2.363 25573 10387 1 19 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.746 2.064 25573 10388 1 19 . 1 1 16 16 CYS H H 16 7.799 7.799 7.989 -0.190 25573 10389 1 19 . 1 1 17 17 SER N N 17 114.606 114.606 115.357 -0.751 25573 10390 1 19 . 1 1 17 17 SER HA H 17 4.952 4.952 4.408 0.544 25573 10391 1 19 . 1 1 17 17 SER CA C 17 58.171 58.171 61.388 -3.217 25573 10392 1 19 . 1 1 17 17 SER CB C 17 60.740 60.740 63.104 -2.364 25573 10393 1 19 . 1 1 17 17 SER H H 17 7.830 7.830 8.149 -0.319 25573 10394 1 19 . 1 1 18 18 ASN N N 18 116.143 116.143 119.171 -3.028 25573 10395 1 19 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.790 0.218 25573 10396 1 19 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.084 -2.609 25573 10397 1 19 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.919 -1.629 25573 10398 1 19 . 1 1 18 18 ASN H H 18 7.557 7.557 7.739 -0.182 25573 10399 1 19 . 1 1 19 19 VAL N N 19 121.616 121.616 120.686 0.930 25573 10400 1 19 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.118 -0.619 25573 10401 1 19 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.781 -1.051 25573 10402 1 19 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.149 -5.107 25573 10403 1 19 . 1 1 19 19 VAL H H 19 7.919 7.919 7.703 0.216 25573 10404 1 19 . 1 1 20 20 ALA N N 20 129.139 129.139 130.080 -0.941 25573 10405 1 19 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.971 -0.176 25573 10406 1 19 . 1 1 20 20 ALA C C 20 169.500 169.500 177.576 -8.076 25573 10407 1 19 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.369 0.046 25573 10408 1 19 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.838 -4.122 25573 10409 1 19 . 1 1 20 20 ALA H H 20 8.150 8.150 7.931 0.220 25573 10410 1 19 . 1 1 21 21 VAL N N 21 120.390 120.390 120.130 0.260 25573 10411 1 19 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.761 0.006 25573 10412 1 19 . 1 1 21 21 VAL CA C 21 63.578 63.578 66.477 -2.899 25573 10413 1 19 . 1 1 21 21 VAL CB C 21 29.746 29.746 32.149 -2.403 25573 10414 1 19 . 1 1 21 21 VAL H H 21 8.319 8.319 8.502 -0.183 25573 10415 1 19 . 1 1 22 22 GLY N N 22 108.884 108.884 103.624 5.260 25573 10416 1 19 . 1 1 22 22 GLY CA C 22 41.968 41.968 43.711 -1.743 25573 10417 1 19 . 1 1 22 22 GLY H H 22 8.221 8.221 7.756 0.465 25573 10418 1 19 . 1 1 23 23 VAL N N 23 117.439 117.439 118.633 -1.194 25573 10419 1 19 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.138 0.100 25573 10420 1 19 . 1 1 23 23 VAL CA C 23 59.088 59.088 64.053 -4.965 25573 10421 1 19 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.002 -1.567 25573 10422 1 19 . 1 1 23 23 VAL H H 23 8.003 8.003 8.459 -0.456 25573 10423 1 19 . 1 1 24 24 GLY N N 24 112.616 112.616 106.430 6.186 25573 10424 1 19 . 1 1 24 24 GLY CA C 24 42.779 42.779 43.906 -1.127 25573 10425 1 19 . 1 1 24 24 GLY H H 24 8.716 8.716 7.872 0.844 25573 10426 1 19 . 1 1 25 25 GLY N N 25 108.753 108.753 106.840 1.913 25573 10427 1 19 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.674 -2.674 25573 10428 1 19 . 1 1 25 25 GLY H H 25 8.286 8.286 8.074 0.212 25573 10429 1 19 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.657 -0.281 25573 10430 1 19 . 1 1 26 26 LYS CA C 26 53.512 53.512 55.810 -2.299 25573 10431 1 19 . 1 1 27 27 SER HA H 27 4.922 4.922 4.685 0.237 25573 10432 1 19 . 1 1 27 27 SER CA C 27 56.876 56.876 57.875 -0.999 25573 10433 1 19 . 1 1 27 27 SER CB C 27 64.578 64.578 64.777 -0.199 25573 10434 1 19 . 1 1 27 27 SER H H 27 7.831 7.831 8.191 -0.360 25573 10435 1 19 . 1 1 28 28 LYS N N 28 122.919 122.919 121.282 1.637 25573 10436 1 19 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.456 -0.272 25573 10437 1 19 . 1 1 28 28 LYS CA C 28 56.539 56.539 54.941 1.598 25573 10438 1 19 . 1 1 28 28 LYS CB C 28 33.366 33.366 33.685 -0.319 25573 10439 1 19 . 1 1 28 28 LYS H H 28 8.589 8.589 8.261 0.328 25573 10440 1 19 . 1 1 29 29 LYS N N 29 120.917 120.917 118.983 1.934 25573 10441 1 19 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.732 -0.349 25573 10442 1 19 . 1 1 29 29 LYS CA C 29 53.535 53.535 54.822 -1.287 25573 10443 1 19 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.978 -2.902 25573 10444 1 19 . 1 1 29 29 LYS H H 29 8.471 8.471 8.102 0.369 25573 10445 1 19 . 1 1 30 30 PHE N N 30 119.366 119.366 117.927 1.439 25573 10446 1 19 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.631 -0.773 25573 10447 1 19 . 1 1 30 30 PHE CA C 30 58.172 58.172 55.966 2.206 25573 10448 1 19 . 1 1 30 30 PHE CB C 30 38.242 38.242 41.657 -3.414 25573 10449 1 19 . 1 1 30 30 PHE H H 30 8.000 8.000 8.035 -0.035 25573 10450 1 19 . 1 1 31 31 GLY N N 31 106.991 106.991 105.831 1.160 25573 10451 1 19 . 1 1 31 31 GLY CA C 31 40.936 40.936 43.542 -2.606 25573 10452 1 19 . 1 1 31 31 GLY H H 31 8.404 8.404 7.883 0.521 25573 10453 1 19 . 1 1 32 32 GLU N N 32 120.491 120.491 120.288 0.203 25573 10454 1 19 . 1 1 32 32 GLU HA H 32 4.112 4.112 3.940 0.172 25573 10455 1 19 . 1 1 32 32 GLU CA C 32 58.171 58.171 60.493 -2.322 25573 10456 1 19 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.433 -2.127 25573 10457 1 19 . 1 1 32 32 GLU H H 32 9.168 9.168 8.776 0.392 25573 10458 1 19 . 1 1 33 33 GLY N N 33 109.241 109.241 107.310 1.931 25573 10459 1 19 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.779 -3.188 25573 10460 1 19 . 1 1 33 33 GLY H H 33 8.613 8.613 8.377 0.236 25573 10461 1 19 . 1 1 34 34 ASN N N 34 118.241 118.241 120.486 -2.245 25573 10462 1 19 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.412 -0.374 25573 10463 1 19 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.985 -1.522 25573 10464 1 19 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.183 -1.789 25573 10465 1 19 . 1 1 34 34 ASN H H 34 7.897 7.897 7.895 0.002 25573 10466 1 19 . 1 1 35 35 PHE N N 35 117.116 117.116 118.845 -1.729 25573 10467 1 19 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.146 -0.058 25573 10468 1 19 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.301 -0.989 25573 10469 1 19 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.688 -1.860 25573 10470 1 19 . 1 1 35 35 PHE H H 35 7.180 7.180 7.310 -0.130 25573 10471 1 19 . 1 1 36 36 ARG N N 36 117.825 117.825 118.683 -0.858 25573 10472 1 19 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.000 -0.428 25573 10473 1 19 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.725 -1.483 25573 10474 1 19 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.756 4.241 25573 10475 1 19 . 1 1 36 36 ARG H H 36 8.278 8.278 7.965 0.313 25573 10476 1 19 . 1 1 37 37 TRP N N 37 118.845 118.845 121.782 -2.937 25573 10477 1 19 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.209 -0.075 25573 10478 1 19 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.383 -2.483 25573 10479 1 19 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.206 -1.757 25573 10480 1 19 . 1 1 37 37 TRP H H 37 8.106 8.106 8.267 -0.161 25573 10481 1 19 . 1 1 38 38 ALA N N 38 119.609 119.609 122.540 -2.931 25573 10482 1 19 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.615 0.814 25573 10483 1 19 . 1 1 38 38 ALA CA C 38 52.894 52.894 55.038 -2.144 25573 10484 1 19 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.591 -2.192 25573 10485 1 19 . 1 1 38 38 ALA H H 38 8.332 8.332 8.007 0.325 25573 10486 1 19 . 1 1 39 39 ILE N N 39 114.866 114.866 118.811 -3.945 25573 10487 1 19 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.563 0.801 25573 10488 1 19 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.539 -9.955 25573 10489 1 19 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.578 -6.086 25573 10490 1 19 . 1 1 39 39 ILE H H 39 8.161 8.161 8.638 -0.477 25573 10491 1 19 . 1 1 40 40 ARG N N 40 120.240 120.240 118.725 1.515 25573 10492 1 19 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.948 0.118 25573 10493 1 19 . 1 1 40 40 ARG CA C 40 56.639 56.639 58.953 -2.314 25573 10494 1 19 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.786 0.023 25573 10495 1 19 . 1 1 40 40 ARG H H 40 8.446 8.446 8.243 0.203 25573 10496 1 19 . 1 1 41 41 MET HA H 41 4.305 4.305 3.878 0.427 25573 10497 1 19 . 1 1 41 41 MET CA C 41 53.585 53.585 58.726 -5.141 25573 10498 1 19 . 1 1 41 41 MET CB C 41 29.902 29.902 32.081 -2.179 25573 10499 1 19 . 1 1 42 42 ALA N N 42 122.782 122.782 119.930 2.852 25573 10500 1 19 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.943 0.605 25573 10501 1 19 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.940 -2.664 25573 10502 1 19 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.318 -1.458 25573 10503 1 19 . 1 1 42 42 ALA H H 42 8.556 8.556 7.901 0.655 25573 10504 1 19 . 1 1 43 43 ASN N N 43 119.366 119.366 116.625 2.741 25573 10505 1 19 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.459 0.235 25573 10506 1 19 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.299 -5.962 25573 10507 1 19 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.763 -3.072 25573 10508 1 19 . 1 1 43 43 ASN H H 43 8.613 8.613 8.294 0.319 25573 10509 1 19 . 1 1 44 44 VAL N N 44 118.466 118.466 119.634 -1.168 25573 10510 1 19 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.849 0.050 25573 10511 1 19 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.892 -2.798 25573 10512 1 19 . 1 1 44 44 VAL CB C 44 28.921 28.921 32.017 -3.095 25573 10513 1 19 . 1 1 44 44 VAL H H 44 8.464 8.464 7.734 0.730 25573 10514 1 19 . 1 1 45 45 SER N N 45 113.763 113.763 114.768 -1.005 25573 10515 1 19 . 1 1 45 45 SER HA H 45 4.328 4.328 4.176 0.152 25573 10516 1 19 . 1 1 45 45 SER CA C 45 58.553 58.553 61.326 -2.773 25573 10517 1 19 . 1 1 45 45 SER CB C 45 61.343 61.343 63.571 -2.228 25573 10518 1 19 . 1 1 45 45 SER H H 45 7.963 7.963 8.034 -0.071 25573 10519 1 19 . 1 1 46 46 THR N N 46 106.729 106.729 110.493 -3.764 25573 10520 1 19 . 1 1 46 46 THR HA H 46 4.602 4.602 4.482 0.120 25573 10521 1 19 . 1 1 46 46 THR CA C 46 58.026 58.026 60.867 -2.841 25573 10522 1 19 . 1 1 46 46 THR CB C 46 67.285 67.285 68.449 -1.164 25573 10523 1 19 . 1 1 46 46 THR H H 46 7.560 7.560 7.888 -0.328 25573 10524 1 19 . 1 1 47 47 GLY N N 47 109.384 109.384 109.713 -0.329 25573 10525 1 19 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.587 -1.778 25573 10526 1 19 . 1 1 47 47 GLY H H 47 7.539 7.539 7.857 -0.318 25573 10527 1 19 . 1 1 48 48 ARG N N 48 120.563 120.563 120.107 0.456 25573 10528 1 19 . 1 1 48 48 ARG HA H 48 4.353 4.353 3.996 0.357 25573 10529 1 19 . 1 1 48 48 ARG CA C 48 52.339 52.339 57.124 -4.785 25573 10530 1 19 . 1 1 48 48 ARG CB C 48 29.760 29.760 30.139 -0.379 25573 10531 1 19 . 1 1 48 48 ARG H H 48 8.220 8.220 7.692 0.528 25573 10532 1 19 . 1 1 49 49 GLU N N 49 122.874 122.874 117.913 4.961 25573 10533 1 19 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.041 0.281 25573 10534 1 19 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.762 -2.628 25573 10535 1 19 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.392 -0.288 25573 10536 1 19 . 1 1 49 49 GLU H H 49 8.661 8.661 8.620 0.041 25573 10537 1 19 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.382 1.512 25573 10538 1 19 . 1 1 51 51 GLY N N 51 102.859 102.859 108.583 -5.724 25573 10539 1 19 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.026 -2.949 25573 10540 1 19 . 1 1 51 51 GLY H H 51 8.368 8.368 8.237 0.131 25573 10541 1 19 . 1 1 52 52 ASP N N 52 120.491 120.491 123.961 -3.470 25573 10542 1 19 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.611 -0.231 25573 10543 1 19 . 1 1 52 52 ASP CA C 52 51.681 51.681 54.733 -3.052 25573 10544 1 19 . 1 1 52 52 ASP CB C 52 37.801 37.801 42.995 -5.194 25573 10545 1 19 . 1 1 52 52 ASP H H 52 7.204 7.204 8.073 -0.869 25573 10546 1 19 . 1 1 53 53 ILE N N 53 127.662 127.662 121.362 6.300 25573 10547 1 19 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.634 -0.104 25573 10548 1 19 . 1 1 53 53 ILE CA C 53 54.127 54.127 57.691 -3.564 25573 10549 1 19 . 1 1 53 53 ILE CB C 53 35.495 35.495 40.358 -4.863 25573 10550 1 19 . 1 1 53 53 ILE H H 53 8.255 8.255 7.804 0.451 25573 10551 1 19 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.510 -0.024 25573 10552 1 19 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.792 -2.673 25573 10553 1 19 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.083 -3.288 25573 10554 1 19 . 1 1 55 55 GLU N N 55 117.116 117.116 126.042 -8.926 25573 10555 1 19 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.388 0.118 25573 10556 1 19 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.723 -2.440 25573 10557 1 19 . 1 1 55 55 GLU CB C 55 29.682 29.682 28.202 1.480 25573 10558 1 19 . 1 1 55 55 GLU H H 55 8.580 8.580 8.756 -0.176 25573 10559 1 19 . 1 1 56 56 THR N N 56 105.122 105.122 112.260 -7.138 25573 10560 1 19 . 1 1 56 56 THR HA H 56 4.832 4.832 4.514 0.318 25573 10561 1 19 . 1 1 56 56 THR CA C 56 55.381 55.381 60.424 -5.043 25573 10562 1 19 . 1 1 56 56 THR CB C 56 70.771 70.771 71.330 -0.559 25573 10563 1 19 . 1 1 56 56 THR H H 56 7.367 7.367 8.219 -0.852 25573 10564 1 19 . 1 1 57 57 LEU N N 57 122.564 122.564 123.097 -0.533 25573 10565 1 19 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.080 0.352 25573 10566 1 19 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.424 -2.015 25573 10567 1 19 . 1 1 57 57 LEU CB C 57 37.861 37.861 42.047 -4.186 25573 10568 1 19 . 1 1 57 57 LEU H H 57 9.222 9.222 8.685 0.537 25573 10569 1 19 . 1 1 58 58 ASP N N 58 119.366 119.366 119.222 0.144 25573 10570 1 19 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.480 0.800 25573 10571 1 19 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.698 -3.341 25573 10572 1 19 . 1 1 58 58 ASP H H 58 8.570 8.570 8.444 0.126 25573 10573 1 19 . 1 1 59 59 GLN N N 59 118.241 118.241 119.053 -0.812 25573 10574 1 19 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.080 -0.048 25573 10575 1 19 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.686 -2.769 25573 10576 1 19 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.823 -2.749 25573 10577 1 19 . 1 1 59 59 GLN H H 59 7.823 7.823 7.722 0.101 25573 10578 1 19 . 1 1 60 60 LEU N N 60 121.691 121.691 120.454 1.237 25573 10579 1 19 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.959 0.120 25573 10580 1 19 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.221 -2.950 25573 10581 1 19 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.849 5.788 25573 10582 1 19 . 1 1 60 60 LEU H H 60 8.187 8.187 7.972 0.215 25573 10583 1 19 . 1 1 61 61 ARG N N 61 117.960 117.960 119.299 -1.339 25573 10584 1 19 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.136 -0.070 25573 10585 1 19 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.395 -3.213 25573 10586 1 19 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.149 -1.233 25573 10587 1 19 . 1 1 61 61 ARG H H 61 9.133 9.133 7.891 1.242 25573 10588 1 19 . 1 1 62 62 LEU N N 62 118.408 118.408 119.771 -1.363 25573 10589 1 19 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.147 -0.121 25573 10590 1 19 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.413 -1.333 25573 10591 1 19 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.850 -3.486 25573 10592 1 19 . 1 1 62 62 LEU H H 62 7.817 7.817 7.784 0.033 25573 10593 1 19 . 1 1 63 63 VAL N N 63 119.177 119.177 120.803 -1.626 25573 10594 1 19 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.494 0.043 25573 10595 1 19 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.555 -3.054 25573 10596 1 19 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.704 -2.820 25573 10597 1 19 . 1 1 63 63 VAL H H 63 7.368 7.368 7.655 -0.287 25573 10598 1 19 . 1 1 64 64 ILE N N 64 119.068 119.068 119.966 -0.898 25573 10599 1 19 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.621 -0.081 25573 10600 1 19 . 1 1 64 64 ILE CA C 64 64.481 64.481 64.895 -0.414 25573 10601 1 19 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.958 -3.246 25573 10602 1 19 . 1 1 64 64 ILE H H 64 8.320 8.320 7.712 0.608 25573 10603 1 19 . 1 1 65 65 CYS N N 65 119.131 119.131 119.113 0.018 25573 10604 1 19 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.023 0.307 25573 10605 1 19 . 1 1 65 65 CYS CA C 65 60.908 60.908 65.082 -4.174 25573 10606 1 19 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.991 -3.099 25573 10607 1 19 . 1 1 65 65 CYS H H 65 9.076 9.076 7.937 1.139 25573 10608 1 19 . 1 1 66 66 ASP N N 66 120.537 120.537 120.567 -0.030 25573 10609 1 19 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.367 -0.055 25573 10610 1 19 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.595 0.169 25573 10611 1 19 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.867 -2.683 25573 10612 1 19 . 1 1 66 66 ASP H H 66 8.512 8.512 8.079 0.433 25573 10613 1 19 . 1 1 67 67 LEU N N 67 119.364 119.364 120.668 -1.304 25573 10614 1 19 . 1 1 67 67 LEU HA H 67 3.970 3.970 4.033 -0.063 25573 10615 1 19 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.453 -1.468 25573 10616 1 19 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.053 -9.307 25573 10617 1 19 . 1 1 67 67 LEU H H 67 8.971 8.971 8.373 0.598 25573 10618 1 19 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.046 0.383 25573 10619 1 19 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.280 -3.515 25573 10620 1 19 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.594 0.207 25573 10621 1 19 . 1 1 70 70 ARG N N 70 122.186 122.186 119.473 2.713 25573 10622 1 19 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.009 0.477 25573 10623 1 19 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.537 -7.004 25573 10624 1 19 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.259 0.083 25573 10625 1 19 . 1 1 70 70 ARG H H 70 8.345 8.345 7.751 0.594 25573 10626 1 19 . 1 1 71 71 ARG N N 71 121.616 121.616 118.311 3.305 25573 10627 1 19 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.096 -1.472 25573 10628 1 19 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.867 -4.688 25573 10629 1 19 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.529 0.478 25573 10630 1 19 . 1 1 71 71 ARG H H 71 8.480 8.480 8.705 -0.225 25573 10631 1 19 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.078 -0.006 25573 10632 1 19 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.962 -2.986 25573 10633 1 19 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.503 -1.751 25573 10634 1 19 . 1 1 74 74 PHE N N 74 115.001 115.001 117.449 -2.448 25573 10635 1 19 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.377 0.445 25573 10636 1 19 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.641 -3.520 25573 10637 1 19 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.782 -3.195 25573 10638 1 19 . 1 1 74 74 PHE H H 74 8.530 8.530 7.752 0.778 25573 10639 1 19 . 1 1 75 75 GLY N N 75 110.366 110.366 106.248 4.118 25573 10640 1 19 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.321 -2.317 25573 10641 1 19 . 1 1 75 75 GLY H H 75 7.799 7.799 7.579 0.220 25573 10642 1 19 . 1 1 76 76 SER N N 76 113.283 113.283 115.467 -2.184 25573 10643 1 19 . 1 1 76 76 SER HA H 76 4.523 4.523 4.666 -0.143 25573 10644 1 19 . 1 1 76 76 SER CA C 76 54.361 54.361 57.987 -3.627 25573 10645 1 19 . 1 1 76 76 SER CB C 76 61.887 61.887 64.214 -2.327 25573 10646 1 19 . 1 1 76 76 SER H H 76 8.417 8.417 8.384 0.033 25573 10647 1 19 . 1 1 77 77 SER N N 77 114.950 114.950 119.250 -4.300 25573 10648 1 19 . 1 1 77 77 SER HA H 77 4.535 4.535 4.824 -0.289 25573 10649 1 19 . 1 1 77 77 SER CA C 77 53.833 53.833 57.604 -3.771 25573 10650 1 19 . 1 1 77 77 SER CB C 77 63.488 63.488 65.390 -1.902 25573 10651 1 19 . 1 1 77 77 SER H H 77 8.428 8.428 8.494 -0.066 25573 10652 1 19 . 1 1 78 78 LYS N N 78 122.032 122.032 125.875 -3.843 25573 10653 1 19 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.996 0.679 25573 10654 1 19 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.774 -5.647 25573 10655 1 19 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.433 -3.198 25573 10656 1 19 . 1 1 78 78 LYS H H 78 9.044 9.044 8.926 0.118 25573 10657 1 19 . 1 1 79 79 GLU N N 79 118.232 118.232 119.388 -1.156 25573 10658 1 19 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.192 0.100 25573 10659 1 19 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.563 -1.459 25573 10660 1 19 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.862 -3.016 25573 10661 1 19 . 1 1 79 79 GLU H H 79 8.795 8.795 7.778 1.017 25573 10662 1 19 . 1 1 80 80 ILE N N 80 120.491 120.491 121.171 -0.680 25573 10663 1 19 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.631 0.098 25573 10664 1 19 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.766 -3.300 25573 10665 1 19 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.841 -1.732 25573 10666 1 19 . 1 1 80 80 ILE H H 80 7.892 7.892 8.613 -0.721 25573 10667 1 19 . 1 1 81 81 ASP N N 81 120.491 120.491 119.301 1.190 25573 10668 1 19 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.347 -0.041 25573 10669 1 19 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.355 -1.981 25573 10670 1 19 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.288 -2.912 25573 10671 1 19 . 1 1 81 81 ASP H H 81 8.424 8.424 8.699 -0.275 25573 10672 1 19 . 1 1 82 82 MET N N 82 118.588 118.588 118.816 -0.228 25573 10673 1 19 . 1 1 82 82 MET HA H 82 4.610 4.610 4.079 0.531 25573 10674 1 19 . 1 1 82 82 MET CA C 82 54.472 54.472 58.972 -4.500 25573 10675 1 19 . 1 1 82 82 MET CB C 82 29.557 29.557 32.517 -2.960 25573 10676 1 19 . 1 1 82 82 MET H H 82 8.215 8.215 7.826 0.389 25573 10677 1 19 . 1 1 83 83 ALA N N 83 127.525 127.525 123.256 4.269 25573 10678 1 19 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.216 -0.117 25573 10679 1 19 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.104 -1.196 25573 10680 1 19 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.378 -3.568 25573 10681 1 19 . 1 1 83 83 ALA H H 83 10.165 10.165 7.848 2.317 25573 10682 1 19 . 1 1 84 84 ILE N N 84 115.968 115.968 118.457 -2.489 25573 10683 1 19 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.634 -0.100 25573 10684 1 19 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.480 -1.103 25573 10685 1 19 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.842 -2.425 25573 10686 1 19 . 1 1 84 84 ILE H H 84 8.437 8.437 7.702 0.735 25573 10687 1 19 . 1 1 85 85 VAL N N 85 117.106 117.106 120.297 -3.191 25573 10688 1 19 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.557 0.488 25573 10689 1 19 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.609 -11.684 25573 10690 1 19 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.570 -2.385 25573 10691 1 19 . 1 1 85 85 VAL H H 85 7.835 7.835 7.828 0.007 25573 10692 1 19 . 1 1 86 86 THR N N 86 116.673 116.673 115.220 1.453 25573 10693 1 19 . 1 1 86 86 THR HA H 86 4.181 4.181 4.118 0.063 25573 10694 1 19 . 1 1 86 86 THR CA C 86 59.627 59.627 65.972 -6.345 25573 10695 1 19 . 1 1 86 86 THR CB C 86 65.856 65.856 68.352 -2.496 25573 10696 1 19 . 1 1 86 86 THR H H 86 8.254 8.254 7.823 0.431 25573 10697 1 19 . 1 1 87 87 LEU N N 87 121.447 121.447 121.764 -0.317 25573 10698 1 19 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.033 0.549 25573 10699 1 19 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.888 -1.032 25573 10700 1 19 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.673 -9.848 25573 10701 1 19 . 1 1 87 87 LEU H H 87 7.913 7.913 7.962 -0.049 25573 10702 1 19 . 1 1 88 88 LYS N N 88 119.505 119.505 120.020 -0.515 25573 10703 1 19 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.737 0.404 25573 10704 1 19 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.652 -3.582 25573 10705 1 19 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.340 -2.453 25573 10706 1 19 . 1 1 88 88 LYS H H 88 7.970 7.970 7.541 0.429 25573 10707 1 19 . 1 1 89 89 VAL N N 89 119.366 119.366 119.460 -0.094 25573 10708 1 19 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.598 0.222 25573 10709 1 19 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.915 -9.959 25573 10710 1 19 . 1 1 89 89 VAL H H 89 8.082 8.082 7.952 0.130 25573 10711 1 19 . 1 1 90 90 PHE N N 90 119.366 119.366 120.006 -0.640 25573 10712 1 19 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.967 0.457 25573 10713 1 19 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.320 -4.169 25573 10714 1 19 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.212 -2.582 25573 10715 1 19 . 1 1 90 90 PHE H H 90 8.104 8.104 8.658 -0.554 25573 10716 1 19 . 1 1 91 91 ALA N N 91 118.916 118.916 121.956 -3.040 25573 10717 1 19 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.613 0.903 25573 10718 1 19 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.913 -0.501 25573 10719 1 19 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.028 -2.138 25573 10720 1 19 . 1 1 91 91 ALA H H 91 8.187 8.187 7.439 0.748 25573 10721 1 19 . 1 1 92 92 VAL N N 92 113.741 113.741 118.477 -4.736 25573 10722 1 19 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.641 -0.054 25573 10723 1 19 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.804 -3.225 25573 10724 1 19 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.454 -0.662 25573 10725 1 19 . 1 1 92 92 VAL H H 92 8.196 8.196 7.825 0.371 25573 10726 1 19 . 1 1 93 93 ALA N N 93 119.366 119.366 120.533 -1.167 25573 10727 1 19 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.215 0.479 25573 10728 1 19 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.797 -4.516 25573 10729 1 19 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.163 -1.448 25573 10730 1 19 . 1 1 93 93 ALA H H 93 8.564 8.564 8.452 0.112 25573 10731 1 19 . 1 1 94 94 GLY N N 94 104.958 104.958 107.430 -2.472 25573 10732 1 19 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.972 -2.048 25573 10733 1 19 . 1 1 94 94 GLY H H 94 6.940 6.940 7.332 -0.392 25573 10734 1 19 . 1 1 95 95 LEU N N 95 120.679 120.679 121.495 -0.816 25573 10735 1 19 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.073 -0.068 25573 10736 1 19 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.297 -2.893 25573 10737 1 19 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.206 -2.981 25573 10738 1 19 . 1 1 95 95 LEU H H 95 7.724 7.724 7.905 -0.181 25573 10739 1 19 . 1 1 96 96 LEU N N 96 115.261 115.261 117.420 -2.159 25573 10740 1 19 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.376 -0.101 25573 10741 1 19 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.486 -2.216 25573 10742 1 19 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.459 -2.773 25573 10743 1 19 . 1 1 96 96 LEU H H 96 7.723 7.723 7.732 -0.009 25573 10744 1 19 . 1 1 97 97 ASN N N 97 112.672 112.672 112.947 -0.275 25573 10745 1 19 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.425 -0.184 25573 10746 1 19 . 1 1 97 97 ASN CA C 97 51.200 51.200 53.964 -2.764 25573 10747 1 19 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.937 -2.492 25573 10748 1 19 . 1 1 97 97 ASN H H 97 6.694 6.694 7.442 -0.748 25573 10749 1 19 . 1 1 98 98 MET N N 98 115.968 115.968 117.129 -1.161 25573 10750 1 19 . 1 1 98 98 MET HA H 98 4.614 4.614 4.347 0.267 25573 10751 1 19 . 1 1 98 98 MET CA C 98 51.685 51.685 55.978 -4.293 25573 10752 1 19 . 1 1 98 98 MET CB C 98 29.808 29.808 33.265 -3.457 25573 10753 1 19 . 1 1 98 98 MET H H 98 8.168 8.168 7.816 0.352 25573 10754 1 19 . 1 1 99 99 THR N N 99 118.683 118.683 112.149 6.534 25573 10755 1 19 . 1 1 99 99 THR HA H 99 4.184 4.184 4.502 -0.318 25573 10756 1 19 . 1 1 99 99 THR CA C 99 59.813 59.813 60.759 -0.946 25573 10757 1 19 . 1 1 99 99 THR CB C 99 65.438 65.438 68.305 -2.867 25573 10758 1 19 . 1 1 99 99 THR H H 99 8.562 8.562 8.248 0.314 25573 10759 1 19 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.174 -0.055 25573 10760 1 19 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.266 -5.564 25573 10761 1 19 . 1 1 100 100 VAL H H 100 8.392 8.392 7.665 0.728 25573 10762 1 19 . 1 1 101 101 SER N N 101 121.736 121.736 120.361 1.375 25573 10763 1 19 . 1 1 101 101 SER HA H 101 4.645 4.645 4.822 -0.177 25573 10764 1 19 . 1 1 101 101 SER CA C 101 56.852 56.852 58.636 -1.784 25573 10765 1 19 . 1 1 101 101 SER CB C 101 61.739 61.739 63.383 -1.644 25573 10766 1 19 . 1 1 101 101 SER H H 101 8.079 8.079 8.841 -0.762 25573 10767 1 19 . 1 1 102 102 THR N N 102 110.147 110.147 109.978 0.169 25573 10768 1 19 . 1 1 102 102 THR HA H 102 5.450 5.450 5.021 0.429 25573 10769 1 19 . 1 1 102 102 THR CA C 102 56.522 56.522 60.101 -3.579 25573 10770 1 19 . 1 1 102 102 THR CB C 102 71.007 71.007 71.742 -0.735 25573 10771 1 19 . 1 1 102 102 THR H H 102 7.276 7.276 7.353 -0.077 25573 10772 1 19 . 1 1 103 103 ALA N N 103 124.013 124.013 128.267 -4.254 25573 10773 1 19 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.015 -0.061 25573 10774 1 19 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.612 -3.334 25573 10775 1 19 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.765 -3.081 25573 10776 1 19 . 1 1 103 103 ALA H H 103 8.433 8.433 8.502 -0.069 25573 10777 1 19 . 1 1 104 104 ALA N N 104 119.649 119.649 120.491 -0.842 25573 10778 1 19 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.042 0.244 25573 10779 1 19 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.582 -2.280 25573 10780 1 19 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.253 -1.733 25573 10781 1 19 . 1 1 104 104 ALA H H 104 8.474 8.474 8.248 0.226 25573 10782 1 19 . 1 1 105 105 ALA N N 105 120.587 120.587 120.935 -0.348 25573 10783 1 19 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.057 0.207 25573 10784 1 19 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.780 -2.582 25573 10785 1 19 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.319 -2.574 25573 10786 1 19 . 1 1 105 105 ALA H H 105 8.050 8.050 7.723 0.327 25573 10787 1 19 . 1 1 106 106 ALA N N 106 121.752 121.752 121.347 0.405 25573 10788 1 19 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.921 -0.654 25573 10789 1 19 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.424 -3.913 25573 10790 1 19 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.047 -1.999 25573 10791 1 19 . 1 1 106 106 ALA H H 106 8.071 8.071 7.863 0.208 25573 10792 1 19 . 1 1 107 107 GLU N N 107 119.133 119.133 119.026 0.107 25573 10793 1 19 . 1 1 107 107 GLU HA H 107 3.859 3.859 4.011 -0.152 25573 10794 1 19 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.713 -2.378 25573 10795 1 19 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.536 -2.427 25573 10796 1 19 . 1 1 107 107 GLU H H 107 8.711 8.711 7.984 0.727 25573 10797 1 19 . 1 1 108 108 ASN N N 108 118.306 118.306 118.045 0.261 25573 10798 1 19 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.442 0.159 25573 10799 1 19 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.809 -2.838 25573 10800 1 19 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.445 -2.993 25573 10801 1 19 . 1 1 108 108 ASN H H 108 8.045 8.045 8.036 0.009 25573 10802 1 19 . 1 1 109 109 MET N N 109 120.038 120.038 120.056 -0.018 25573 10803 1 19 . 1 1 109 109 MET HA H 109 4.305 4.305 4.190 0.115 25573 10804 1 19 . 1 1 109 109 MET CA C 109 55.602 55.602 57.859 -2.257 25573 10805 1 19 . 1 1 109 109 MET CB C 109 29.771 29.771 31.979 -2.208 25573 10806 1 19 . 1 1 109 109 MET H H 109 8.401 8.401 8.068 0.333 25573 10807 1 19 . 1 1 110 110 TYR N N 110 121.616 121.616 120.257 1.359 25573 10808 1 19 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.043 -0.380 25573 10809 1 19 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.852 -2.927 25573 10810 1 19 . 1 1 110 110 TYR CB C 110 35.926 35.926 37.995 -2.069 25573 10811 1 19 . 1 1 110 110 TYR H H 110 8.651 8.651 9.014 -0.363 25573 10812 1 19 . 1 1 111 111 SER N N 111 110.621 110.621 114.473 -3.852 25573 10813 1 19 . 1 1 111 111 SER HA H 111 4.540 4.540 4.207 0.333 25573 10814 1 19 . 1 1 111 111 SER CA C 111 58.395 58.395 61.050 -2.655 25573 10815 1 19 . 1 1 111 111 SER CB C 111 60.600 60.600 63.171 -2.571 25573 10816 1 19 . 1 1 111 111 SER H H 111 7.394 7.394 7.934 -0.540 25573 10817 1 19 . 1 1 112 112 GLN N N 112 125.643 125.643 122.171 3.472 25573 10818 1 19 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.044 0.015 25573 10819 1 19 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.529 -2.446 25573 10820 1 19 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.760 -3.115 25573 10821 1 19 . 1 1 112 112 GLN H H 112 8.774 8.774 8.212 0.562 25573 10822 1 19 . 1 1 113 113 MET N N 113 114.866 114.866 117.556 -2.690 25573 10823 1 19 . 1 1 113 113 MET HA H 113 4.275 4.275 4.328 -0.053 25573 10824 1 19 . 1 1 113 113 MET CA C 113 53.246 53.246 56.834 -3.588 25573 10825 1 19 . 1 1 113 113 MET CB C 113 31.365 31.365 33.627 -2.262 25573 10826 1 19 . 1 1 113 113 MET H H 113 8.070 8.070 8.250 -0.180 25573 10827 1 19 . 1 1 114 114 GLY N N 114 107.252 107.252 106.103 1.149 25573 10828 1 19 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.211 -2.251 25573 10829 1 19 . 1 1 114 114 GLY H H 114 8.012 8.012 7.733 0.279 25573 10830 1 19 . 1 1 115 115 LEU N N 115 114.939 114.939 118.988 -4.049 25573 10831 1 19 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.296 -0.421 25573 10832 1 19 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.135 -1.926 25573 10833 1 19 . 1 1 115 115 LEU CB C 115 35.458 35.458 42.250 -6.792 25573 10834 1 19 . 1 1 115 115 LEU H H 115 7.447 7.447 7.976 -0.529 25573 10835 1 19 . 1 1 116 116 ASP N N 116 116.423 116.423 116.748 -0.325 25573 10836 1 19 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.759 -0.089 25573 10837 1 19 . 1 1 116 116 ASP CA C 116 52.303 52.303 53.737 -1.434 25573 10838 1 19 . 1 1 116 116 ASP CB C 116 37.319 37.319 43.225 -5.906 25573 10839 1 19 . 1 1 116 116 ASP H H 116 8.518 8.518 7.450 1.068 25573 10840 1 19 . 1 1 117 117 THR N N 117 113.582 113.582 113.365 0.217 25573 10841 1 19 . 1 1 117 117 THR HA H 117 4.194 4.194 4.460 -0.266 25573 10842 1 19 . 1 1 117 117 THR CA C 117 58.925 58.925 62.150 -3.225 25573 10843 1 19 . 1 1 117 117 THR CB C 117 67.320 67.320 68.121 -0.801 25573 10844 1 19 . 1 1 117 117 THR H H 117 7.240 7.240 8.357 -1.117 25573 10845 1 19 . 1 1 118 118 ARG N N 118 126.068 126.068 122.572 3.496 25573 10846 1 19 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.779 -0.213 25573 10847 1 19 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.342 -1.999 25573 10848 1 19 . 1 1 118 118 ARG CB C 118 33.708 33.708 31.402 2.306 25573 10849 1 19 . 1 1 118 118 ARG H H 118 8.711 8.711 7.944 0.767 25573 10850 1 19 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.763 -2.685 25573 10851 1 19 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.992 -2.949 25573 10852 1 19 . 1 1 120 120 SER N N 120 116.251 116.251 120.921 -4.670 25573 10853 1 19 . 1 1 120 120 SER HA H 120 4.385 4.385 4.358 0.027 25573 10854 1 19 . 1 1 120 120 SER CA C 120 55.352 55.352 58.927 -3.575 25573 10855 1 19 . 1 1 120 120 SER CB C 120 61.037 61.037 64.034 -2.997 25573 10856 1 19 . 1 1 120 120 SER H H 120 8.385 8.385 8.676 -0.291 25573 10857 1 19 . 1 1 121 121 MET N N 121 123.171 123.171 118.229 4.942 25573 10858 1 19 . 1 1 121 121 MET HA H 121 4.289 4.289 4.206 0.083 25573 10859 1 19 . 1 1 121 121 MET CA C 121 53.282 53.282 56.208 -2.926 25573 10860 1 19 . 1 1 121 121 MET CB C 121 30.755 30.755 30.959 -0.204 25573 10861 1 19 . 1 1 121 121 MET H H 121 8.297 8.297 8.090 0.207 25573 10862 1 19 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.407 -0.149 25573 10863 1 19 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.029 -2.361 25573 10864 1 19 . 1 1 123 123 GLU N N 123 122.135 122.135 122.806 -0.671 25573 10865 1 19 . 1 1 123 123 GLU CA C 123 47.903 47.903 55.547 -7.644 25573 10866 1 19 . 1 1 123 123 GLU CB C 123 30.404 30.404 31.291 -0.888 25573 10867 1 19 . 1 1 123 123 GLU H H 123 8.505 8.505 8.307 0.198 25573 10868 1 19 . 1 1 124 124 ALA N N 124 125.340 125.340 122.412 2.928 25573 10869 1 19 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.110 0.221 25573 10870 1 19 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.081 -2.248 25573 10871 1 19 . 1 1 124 124 ALA CB C 124 16.665 16.665 18.432 -1.767 25573 10872 1 19 . 1 1 124 124 ALA H H 124 8.422 8.422 8.362 0.060 25573 10873 1 19 . 1 1 125 125 GLY N N 125 108.426 108.426 108.967 -0.541 25573 10874 1 19 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.369 -2.628 25573 10875 1 19 . 1 1 125 125 GLY H H 125 8.401 8.401 8.582 -0.181 25573 10876 1 19 . 1 1 126 126 GLY N N 126 109.792 109.792 106.715 3.077 25573 10877 1 19 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.744 -2.497 25573 10878 1 19 . 1 1 126 126 GLY H H 126 8.515 8.515 7.774 0.741 25573 10879 1 19 . 1 1 127 127 LYS N N 127 120.366 120.366 119.325 1.041 25573 10880 1 19 . 1 1 127 127 LYS HA H 127 4.321 4.321 3.960 0.361 25573 10881 1 19 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.587 -3.043 25573 10882 1 19 . 1 1 127 127 LYS CB C 127 30.352 30.352 32.035 -1.683 25573 10883 1 19 . 1 1 127 127 LYS H H 127 8.244 8.244 8.575 -0.331 25573 10884 1 19 . 1 1 128 128 GLU N N 128 122.270 122.270 119.805 2.465 25573 10885 1 19 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.521 -0.477 25573 10886 1 19 . 1 1 128 128 GLU H H 128 8.559 8.559 8.545 0.014 25573 10887 1 19 . 1 1 129 129 GLU N N 129 122.282 122.282 121.696 0.586 25573 10888 1 19 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.189 0.347 25573 10889 1 19 . 1 1 129 129 GLU CB C 129 30.189 30.189 29.944 0.245 25573 10890 1 19 . 1 1 129 129 GLU H H 129 8.027 8.027 7.938 0.089 25573 10891 1 19 . 1 1 130 130 GLY N N 130 110.258 110.258 112.687 -2.429 25573 10892 1 19 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.674 -3.013 25573 10893 1 19 . 1 1 130 130 GLY H H 130 10.190 10.190 8.471 1.719 25573 10894 1 19 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.525 -0.146 25573 10895 1 19 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.092 -2.623 25573 10896 1 19 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.338 -3.107 25573 10897 1 19 . 1 1 133 133 GLN N N 133 119.932 119.932 116.356 3.576 25573 10898 1 19 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.810 -0.491 25573 10899 1 19 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.065 -1.816 25573 10900 1 19 . 1 1 133 133 GLN CB C 133 29.655 29.655 30.105 -0.450 25573 10901 1 19 . 1 1 133 133 GLN H H 133 8.478 8.478 8.593 -0.115 25573 10902 1 19 . 1 1 134 134 ALA N N 134 124.828 124.828 123.823 1.005 25573 10903 1 19 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.575 -0.326 25573 10904 1 19 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.474 -2.781 25573 10905 1 19 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.411 -3.387 25573 10906 1 19 . 1 1 134 134 ALA H H 134 8.263 8.263 8.715 -0.452 25573 10907 1 20 . 1 1 3 3 ASN N N 3 119.366 119.366 117.482 1.884 25573 10908 1 20 . 1 1 3 3 ASN HA H 3 4.583 4.583 5.176 -0.594 25573 10909 1 20 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.841 -2.450 25573 10910 1 20 . 1 1 3 3 ASN CB C 3 35.712 35.712 40.276 -4.564 25573 10911 1 20 . 1 1 3 3 ASN H H 3 8.596 8.596 8.754 -0.158 25573 10912 1 20 . 1 1 4 4 GLY N N 4 112.829 112.829 107.998 4.831 25573 10913 1 20 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.995 -2.293 25573 10914 1 20 . 1 1 4 4 GLY H H 4 8.073 8.073 7.973 0.100 25573 10915 1 20 . 1 1 5 5 ALA N N 5 123.630 123.630 121.927 1.703 25573 10916 1 20 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.907 -0.504 25573 10917 1 20 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.648 -3.008 25573 10918 1 20 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.654 -3.240 25573 10919 1 20 . 1 1 5 5 ALA H H 5 8.008 8.008 8.246 -0.238 25573 10920 1 20 . 1 1 6 6 SER N N 6 114.866 114.866 117.144 -2.278 25573 10921 1 20 . 1 1 6 6 SER HA H 6 4.270 4.270 4.519 -0.249 25573 10922 1 20 . 1 1 6 6 SER CA C 6 56.023 56.023 58.963 -2.940 25573 10923 1 20 . 1 1 6 6 SER CB C 6 60.936 60.936 63.502 -2.566 25573 10924 1 20 . 1 1 6 6 SER H H 6 8.293 8.293 8.509 -0.216 25573 10925 1 20 . 1 1 7 7 ARG N N 7 119.250 119.250 122.180 -2.930 25573 10926 1 20 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.420 0.086 25573 10927 1 20 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.244 0.179 25573 10928 1 20 . 1 1 7 7 ARG H H 7 8.305 8.305 8.556 -0.251 25573 10929 1 20 . 1 1 8 8 ASP N N 8 119.662 119.662 118.709 0.953 25573 10930 1 20 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.500 -0.347 25573 10931 1 20 . 1 1 8 8 ASP CA C 8 56.554 56.554 57.725 -1.171 25573 10932 1 20 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.241 -13.740 25573 10933 1 20 . 1 1 8 8 ASP H H 8 7.915 7.915 8.760 -0.845 25573 10934 1 20 . 1 1 9 9 TRP N N 9 121.861 121.861 121.508 0.353 25573 10935 1 20 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.305 -0.189 25573 10936 1 20 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.676 -4.714 25573 10937 1 20 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.748 -1.726 25573 10938 1 20 . 1 1 9 9 TRP H H 9 8.222 8.222 8.144 0.078 25573 10939 1 20 . 1 1 10 10 LYS N N 10 118.681 118.681 118.559 0.122 25573 10940 1 20 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.885 0.397 25573 10941 1 20 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.950 -1.051 25573 10942 1 20 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.396 -4.357 25573 10943 1 20 . 1 1 10 10 LYS H H 10 8.003 8.003 7.949 0.054 25573 10944 1 20 . 1 1 11 11 MET N N 11 119.366 119.366 118.756 0.610 25573 10945 1 20 . 1 1 11 11 MET HA H 11 4.559 4.559 4.145 0.414 25573 10946 1 20 . 1 1 11 11 MET CA C 11 53.485 53.485 58.479 -4.994 25573 10947 1 20 . 1 1 11 11 MET H H 11 8.041 8.041 7.984 0.057 25573 10948 1 20 . 1 1 12 12 ALA N N 12 122.650 122.650 122.684 -0.034 25573 10949 1 20 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.071 0.138 25573 10950 1 20 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.998 4.801 25573 10951 1 20 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.373 -0.601 25573 10952 1 20 . 1 1 12 12 ALA H H 12 7.904 7.904 8.148 -0.244 25573 10953 1 20 . 1 1 13 13 ILE N N 13 117.322 117.322 117.668 -0.346 25573 10954 1 20 . 1 1 13 13 ILE CA C 13 64.578 64.578 64.443 0.135 25573 10955 1 20 . 1 1 13 13 ILE CB C 13 28.903 28.903 37.488 -8.585 25573 10956 1 20 . 1 1 13 13 ILE H H 13 8.380 8.380 7.715 0.665 25573 10957 1 20 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.169 1.747 25573 10958 1 20 . 1 1 16 16 CYS N N 16 116.263 116.263 119.564 -3.301 25573 10959 1 20 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.209 -0.164 25573 10960 1 20 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.096 -2.312 25573 10961 1 20 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.946 1.864 25573 10962 1 20 . 1 1 16 16 CYS H H 16 7.799 7.799 7.966 -0.167 25573 10963 1 20 . 1 1 17 17 SER N N 17 114.606 114.606 115.349 -0.743 25573 10964 1 20 . 1 1 17 17 SER HA H 17 4.952 4.952 4.406 0.546 25573 10965 1 20 . 1 1 17 17 SER CA C 17 58.171 58.171 60.622 -2.451 25573 10966 1 20 . 1 1 17 17 SER CB C 17 60.740 60.740 62.623 -1.883 25573 10967 1 20 . 1 1 17 17 SER H H 17 7.830 7.830 8.361 -0.531 25573 10968 1 20 . 1 1 18 18 ASN N N 18 116.143 116.143 118.860 -2.717 25573 10969 1 20 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.825 0.183 25573 10970 1 20 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.069 -2.594 25573 10971 1 20 . 1 1 18 18 ASN CB C 18 37.289 37.289 39.339 -2.050 25573 10972 1 20 . 1 1 18 18 ASN H H 18 7.557 7.557 7.844 -0.287 25573 10973 1 20 . 1 1 19 19 VAL N N 19 121.616 121.616 119.854 1.762 25573 10974 1 20 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.339 -0.840 25573 10975 1 20 . 1 1 19 19 VAL CA C 19 59.730 59.730 60.086 -0.356 25573 10976 1 20 . 1 1 19 19 VAL CB C 19 29.042 29.042 34.006 -4.964 25573 10977 1 20 . 1 1 19 19 VAL H H 19 7.919 7.919 7.608 0.311 25573 10978 1 20 . 1 1 20 20 ALA N N 20 129.139 129.139 127.361 1.778 25573 10979 1 20 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.939 -0.144 25573 10980 1 20 . 1 1 20 20 ALA C C 20 169.500 169.500 178.629 -9.129 25573 10981 1 20 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.612 -0.197 25573 10982 1 20 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.019 -3.303 25573 10983 1 20 . 1 1 20 20 ALA H H 20 8.150 8.150 7.921 0.229 25573 10984 1 20 . 1 1 21 21 VAL N N 21 120.390 120.390 116.286 4.104 25573 10985 1 20 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.518 0.249 25573 10986 1 20 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.215 -0.637 25573 10987 1 20 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.551 -1.805 25573 10988 1 20 . 1 1 21 21 VAL H H 21 8.319 8.319 7.869 0.450 25573 10989 1 20 . 1 1 22 22 GLY N N 22 108.884 108.884 106.405 2.479 25573 10990 1 20 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.863 -2.895 25573 10991 1 20 . 1 1 22 22 GLY H H 22 8.221 8.221 7.415 0.806 25573 10992 1 20 . 1 1 23 23 VAL N N 23 117.439 117.439 119.218 -1.779 25573 10993 1 20 . 1 1 23 23 VAL HA H 23 4.238 4.238 3.961 0.277 25573 10994 1 20 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.911 -4.823 25573 10995 1 20 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.053 -1.619 25573 10996 1 20 . 1 1 23 23 VAL H H 23 8.003 8.003 8.619 -0.616 25573 10997 1 20 . 1 1 24 24 GLY N N 24 112.616 112.616 106.260 6.356 25573 10998 1 20 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.595 -1.816 25573 10999 1 20 . 1 1 24 24 GLY H H 24 8.716 8.716 7.769 0.947 25573 11000 1 20 . 1 1 25 25 GLY N N 25 108.753 108.753 108.795 -0.042 25573 11001 1 20 . 1 1 25 25 GLY CA C 25 42.000 42.000 44.908 -2.908 25573 11002 1 20 . 1 1 25 25 GLY H H 25 8.286 8.286 8.140 0.146 25573 11003 1 20 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.409 -0.033 25573 11004 1 20 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.323 -2.811 25573 11005 1 20 . 1 1 27 27 SER HA H 27 4.922 4.922 4.472 0.450 25573 11006 1 20 . 1 1 27 27 SER CA C 27 56.876 56.876 58.327 -1.451 25573 11007 1 20 . 1 1 27 27 SER CB C 27 64.578 64.578 63.206 1.372 25573 11008 1 20 . 1 1 27 27 SER H H 27 7.831 7.831 8.026 -0.195 25573 11009 1 20 . 1 1 28 28 LYS N N 28 122.919 122.919 124.481 -1.562 25573 11010 1 20 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.207 -0.023 25573 11011 1 20 . 1 1 28 28 LYS CA C 28 56.539 56.539 56.152 0.387 25573 11012 1 20 . 1 1 28 28 LYS CB C 28 33.366 33.366 31.697 1.669 25573 11013 1 20 . 1 1 28 28 LYS H H 28 8.589 8.589 8.250 0.339 25573 11014 1 20 . 1 1 29 29 LYS N N 29 120.917 120.917 121.334 -0.417 25573 11015 1 20 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.826 -0.443 25573 11016 1 20 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.029 -1.494 25573 11017 1 20 . 1 1 29 29 LYS CB C 29 32.076 32.076 33.916 -1.841 25573 11018 1 20 . 1 1 29 29 LYS H H 29 8.471 8.471 7.587 0.884 25573 11019 1 20 . 1 1 30 30 PHE N N 30 119.366 119.366 120.138 -0.772 25573 11020 1 20 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.476 -0.618 25573 11021 1 20 . 1 1 30 30 PHE CA C 30 58.172 58.172 58.844 -0.672 25573 11022 1 20 . 1 1 30 30 PHE CB C 30 38.242 38.242 39.940 -1.698 25573 11023 1 20 . 1 1 30 30 PHE H H 30 8.000 8.000 8.263 -0.263 25573 11024 1 20 . 1 1 31 31 GLY N N 31 106.991 106.991 104.470 2.521 25573 11025 1 20 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.312 -3.376 25573 11026 1 20 . 1 1 31 31 GLY H H 31 8.404 8.404 7.127 1.277 25573 11027 1 20 . 1 1 32 32 GLU N N 32 120.491 120.491 120.029 0.462 25573 11028 1 20 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.084 0.028 25573 11029 1 20 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.417 -1.246 25573 11030 1 20 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.565 -2.259 25573 11031 1 20 . 1 1 32 32 GLU H H 32 9.168 9.168 8.897 0.271 25573 11032 1 20 . 1 1 33 33 GLY N N 33 109.241 109.241 108.552 0.689 25573 11033 1 20 . 1 1 33 33 GLY CA C 33 43.591 43.591 47.053 -3.462 25573 11034 1 20 . 1 1 33 33 GLY H H 33 8.613 8.613 8.546 0.067 25573 11035 1 20 . 1 1 34 34 ASN N N 34 118.241 118.241 120.360 -2.119 25573 11036 1 20 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.506 -0.468 25573 11037 1 20 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.905 -1.442 25573 11038 1 20 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.072 -1.678 25573 11039 1 20 . 1 1 34 34 ASN H H 34 7.897 7.897 7.924 -0.027 25573 11040 1 20 . 1 1 35 35 PHE N N 35 117.116 117.116 118.534 -1.418 25573 11041 1 20 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.137 -0.049 25573 11042 1 20 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.306 -0.994 25573 11043 1 20 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.466 -1.638 25573 11044 1 20 . 1 1 35 35 PHE H H 35 7.180 7.180 7.542 -0.362 25573 11045 1 20 . 1 1 36 36 ARG N N 36 117.825 117.825 119.201 -1.376 25573 11046 1 20 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.057 -0.485 25573 11047 1 20 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.622 -1.380 25573 11048 1 20 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.700 4.297 25573 11049 1 20 . 1 1 36 36 ARG H H 36 8.278 8.278 8.045 0.233 25573 11050 1 20 . 1 1 37 37 TRP N N 37 118.845 118.845 121.497 -2.652 25573 11051 1 20 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.237 -0.103 25573 11052 1 20 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.152 -2.252 25573 11053 1 20 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.274 -1.825 25573 11054 1 20 . 1 1 37 37 TRP H H 37 8.106 8.106 8.033 0.073 25573 11055 1 20 . 1 1 38 38 ALA N N 38 119.609 119.609 122.915 -3.306 25573 11056 1 20 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.822 0.607 25573 11057 1 20 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.828 -1.934 25573 11058 1 20 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.706 -2.307 25573 11059 1 20 . 1 1 38 38 ALA H H 38 8.332 8.332 7.993 0.339 25573 11060 1 20 . 1 1 39 39 ILE N N 39 114.866 114.866 119.535 -4.669 25573 11061 1 20 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.529 0.835 25573 11062 1 20 . 1 1 39 39 ILE CA C 39 55.584 55.584 66.072 -10.488 25573 11063 1 20 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.718 -6.226 25573 11064 1 20 . 1 1 39 39 ILE H H 39 8.161 8.161 8.352 -0.191 25573 11065 1 20 . 1 1 40 40 ARG N N 40 120.240 120.240 117.819 2.421 25573 11066 1 20 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.829 0.237 25573 11067 1 20 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.637 -2.998 25573 11068 1 20 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.957 -0.148 25573 11069 1 20 . 1 1 40 40 ARG H H 40 8.446 8.446 8.284 0.162 25573 11070 1 20 . 1 1 41 41 MET HA H 41 4.305 4.305 3.911 0.394 25573 11071 1 20 . 1 1 41 41 MET CA C 41 53.585 53.585 58.708 -5.123 25573 11072 1 20 . 1 1 41 41 MET CB C 41 29.902 29.902 31.859 -1.957 25573 11073 1 20 . 1 1 42 42 ALA N N 42 122.782 122.782 121.992 0.790 25573 11074 1 20 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.880 0.668 25573 11075 1 20 . 1 1 42 42 ALA CA C 42 52.276 52.276 55.273 -2.997 25573 11076 1 20 . 1 1 42 42 ALA CB C 42 16.860 16.860 17.842 -0.982 25573 11077 1 20 . 1 1 42 42 ALA H H 42 8.556 8.556 7.712 0.844 25573 11078 1 20 . 1 1 43 43 ASN N N 43 119.366 119.366 117.008 2.358 25573 11079 1 20 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.445 0.249 25573 11080 1 20 . 1 1 43 43 ASN CA C 43 50.337 50.337 55.776 -5.439 25573 11081 1 20 . 1 1 43 43 ASN CB C 43 35.691 35.691 37.999 -2.308 25573 11082 1 20 . 1 1 43 43 ASN H H 43 8.613 8.613 7.928 0.685 25573 11083 1 20 . 1 1 44 44 VAL N N 44 118.466 118.466 119.711 -1.245 25573 11084 1 20 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.860 0.039 25573 11085 1 20 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.395 -2.301 25573 11086 1 20 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.812 -2.891 25573 11087 1 20 . 1 1 44 44 VAL H H 44 8.464 8.464 7.636 0.828 25573 11088 1 20 . 1 1 45 45 SER N N 45 113.763 113.763 114.897 -1.134 25573 11089 1 20 . 1 1 45 45 SER HA H 45 4.328 4.328 4.069 0.259 25573 11090 1 20 . 1 1 45 45 SER CA C 45 58.553 58.553 61.384 -2.831 25573 11091 1 20 . 1 1 45 45 SER CB C 45 61.343 61.343 63.418 -2.075 25573 11092 1 20 . 1 1 45 45 SER H H 45 7.963 7.963 8.311 -0.348 25573 11093 1 20 . 1 1 46 46 THR N N 46 106.729 106.729 110.772 -4.043 25573 11094 1 20 . 1 1 46 46 THR HA H 46 4.602 4.602 4.216 0.386 25573 11095 1 20 . 1 1 46 46 THR CA C 46 58.026 58.026 63.369 -5.343 25573 11096 1 20 . 1 1 46 46 THR CB C 46 67.285 67.285 69.375 -2.090 25573 11097 1 20 . 1 1 46 46 THR H H 46 7.560 7.560 8.306 -0.746 25573 11098 1 20 . 1 1 47 47 GLY N N 47 109.384 109.384 108.760 0.624 25573 11099 1 20 . 1 1 47 47 GLY CA C 47 43.809 43.809 44.813 -1.004 25573 11100 1 20 . 1 1 47 47 GLY H H 47 7.539 7.539 7.165 0.374 25573 11101 1 20 . 1 1 48 48 ARG N N 48 120.563 120.563 120.795 -0.232 25573 11102 1 20 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.336 0.017 25573 11103 1 20 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.131 -3.792 25573 11104 1 20 . 1 1 48 48 ARG CB C 48 29.760 29.760 32.504 -2.744 25573 11105 1 20 . 1 1 48 48 ARG H H 48 8.220 8.220 8.143 0.077 25573 11106 1 20 . 1 1 49 49 GLU N N 49 122.874 122.874 121.602 1.272 25573 11107 1 20 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.117 0.205 25573 11108 1 20 . 1 1 49 49 GLU CA C 49 54.134 54.134 56.987 -2.853 25573 11109 1 20 . 1 1 49 49 GLU CB C 49 29.104 29.104 29.687 -0.583 25573 11110 1 20 . 1 1 49 49 GLU H H 49 8.661 8.661 8.550 0.111 25573 11111 1 20 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.368 1.526 25573 11112 1 20 . 1 1 51 51 GLY N N 51 102.859 102.859 108.560 -5.701 25573 11113 1 20 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.637 -3.560 25573 11114 1 20 . 1 1 51 51 GLY H H 51 8.368 8.368 8.340 0.028 25573 11115 1 20 . 1 1 52 52 ASP N N 52 120.491 120.491 120.601 -0.110 25573 11116 1 20 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.882 -0.502 25573 11117 1 20 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.179 -1.498 25573 11118 1 20 . 1 1 52 52 ASP CB C 52 37.801 37.801 44.550 -6.749 25573 11119 1 20 . 1 1 52 52 ASP H H 52 7.204 7.204 7.964 -0.760 25573 11120 1 20 . 1 1 53 53 ILE N N 53 127.662 127.662 115.682 11.980 25573 11121 1 20 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.695 -0.165 25573 11122 1 20 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.307 -4.180 25573 11123 1 20 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.333 -2.837 25573 11124 1 20 . 1 1 53 53 ILE H H 53 8.255 8.255 7.947 0.308 25573 11125 1 20 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.626 -0.140 25573 11126 1 20 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.864 -2.745 25573 11127 1 20 . 1 1 54 54 PRO CB C 54 28.795 28.795 33.307 -4.513 25573 11128 1 20 . 1 1 55 55 GLU N N 55 117.116 117.116 119.496 -2.380 25573 11129 1 20 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.397 0.109 25573 11130 1 20 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.727 -2.444 25573 11131 1 20 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.979 -0.297 25573 11132 1 20 . 1 1 55 55 GLU H H 55 8.580 8.580 8.596 -0.016 25573 11133 1 20 . 1 1 56 56 THR N N 56 105.122 105.122 113.829 -8.707 25573 11134 1 20 . 1 1 56 56 THR HA H 56 4.832 4.832 4.549 0.283 25573 11135 1 20 . 1 1 56 56 THR CA C 56 55.381 55.381 60.680 -5.299 25573 11136 1 20 . 1 1 56 56 THR CB C 56 70.771 70.771 71.151 -0.380 25573 11137 1 20 . 1 1 56 56 THR H H 56 7.367 7.367 7.606 -0.239 25573 11138 1 20 . 1 1 57 57 LEU N N 57 122.564 122.564 125.018 -2.454 25573 11139 1 20 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.114 0.318 25573 11140 1 20 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.614 -2.205 25573 11141 1 20 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.966 -4.105 25573 11142 1 20 . 1 1 57 57 LEU H H 57 9.222 9.222 8.840 0.382 25573 11143 1 20 . 1 1 58 58 ASP N N 58 119.366 119.366 117.615 1.751 25573 11144 1 20 . 1 1 58 58 ASP CA C 58 58.280 58.280 58.089 0.191 25573 11145 1 20 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.334 -2.977 25573 11146 1 20 . 1 1 58 58 ASP H H 58 8.570 8.570 8.537 0.033 25573 11147 1 20 . 1 1 59 59 GLN N N 59 118.241 118.241 120.077 -1.836 25573 11148 1 20 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.083 -0.051 25573 11149 1 20 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.700 -2.783 25573 11150 1 20 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.738 -2.664 25573 11151 1 20 . 1 1 59 59 GLN H H 59 7.823 7.823 7.677 0.146 25573 11152 1 20 . 1 1 60 60 LEU N N 60 121.691 121.691 120.345 1.346 25573 11153 1 20 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.960 0.119 25573 11154 1 20 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.253 -2.982 25573 11155 1 20 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.827 5.810 25573 11156 1 20 . 1 1 60 60 LEU H H 60 8.187 8.187 7.870 0.317 25573 11157 1 20 . 1 1 61 61 ARG N N 61 117.960 117.960 119.251 -1.291 25573 11158 1 20 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.067 -0.001 25573 11159 1 20 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.467 -3.285 25573 11160 1 20 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.127 -1.211 25573 11161 1 20 . 1 1 61 61 ARG H H 61 9.133 9.133 7.810 1.323 25573 11162 1 20 . 1 1 62 62 LEU N N 62 118.408 118.408 119.793 -1.385 25573 11163 1 20 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.149 -0.123 25573 11164 1 20 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.546 -1.466 25573 11165 1 20 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.689 -3.325 25573 11166 1 20 . 1 1 62 62 LEU H H 62 7.817 7.817 7.825 -0.008 25573 11167 1 20 . 1 1 63 63 VAL N N 63 119.177 119.177 120.513 -1.336 25573 11168 1 20 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.668 -0.131 25573 11169 1 20 . 1 1 63 63 VAL CA C 63 64.501 64.501 66.102 -1.601 25573 11170 1 20 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.094 -2.210 25573 11171 1 20 . 1 1 63 63 VAL H H 63 7.368 7.368 7.681 -0.313 25573 11172 1 20 . 1 1 64 64 ILE N N 64 119.068 119.068 120.584 -1.516 25573 11173 1 20 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.612 -0.072 25573 11174 1 20 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.337 -0.856 25573 11175 1 20 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.937 -3.225 25573 11176 1 20 . 1 1 64 64 ILE H H 64 8.320 8.320 7.669 0.651 25573 11177 1 20 . 1 1 65 65 CYS N N 65 119.131 119.131 118.632 0.499 25573 11178 1 20 . 1 1 65 65 CYS HA H 65 4.330 4.330 3.934 0.396 25573 11179 1 20 . 1 1 65 65 CYS CA C 65 60.908 60.908 65.319 -4.411 25573 11180 1 20 . 1 1 65 65 CYS CB C 65 23.892 23.892 27.234 -3.342 25573 11181 1 20 . 1 1 65 65 CYS H H 65 9.076 9.076 7.915 1.161 25573 11182 1 20 . 1 1 66 66 ASP N N 66 120.537 120.537 120.553 -0.016 25573 11183 1 20 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.361 -0.049 25573 11184 1 20 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.055 0.709 25573 11185 1 20 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.688 -2.503 25573 11186 1 20 . 1 1 66 66 ASP H H 66 8.512 8.512 7.922 0.590 25573 11187 1 20 . 1 1 67 67 LEU N N 67 119.364 119.364 121.160 -1.796 25573 11188 1 20 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.936 0.034 25573 11189 1 20 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.376 -1.389 25573 11190 1 20 . 1 1 67 67 LEU CB C 67 32.746 32.746 42.091 -9.345 25573 11191 1 20 . 1 1 67 67 LEU H H 67 8.971 8.971 8.232 0.739 25573 11192 1 20 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.089 0.340 25573 11193 1 20 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.386 -3.621 25573 11194 1 20 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.459 0.343 25573 11195 1 20 . 1 1 70 70 ARG N N 70 122.186 122.186 119.527 2.659 25573 11196 1 20 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.022 0.464 25573 11197 1 20 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.532 -6.999 25573 11198 1 20 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.258 0.083 25573 11199 1 20 . 1 1 70 70 ARG H H 70 8.345 8.345 7.771 0.574 25573 11200 1 20 . 1 1 71 71 ARG N N 71 121.616 121.616 118.136 3.480 25573 11201 1 20 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.104 -1.480 25573 11202 1 20 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.899 -4.720 25573 11203 1 20 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.540 0.467 25573 11204 1 20 . 1 1 71 71 ARG H H 71 8.480 8.480 8.673 -0.193 25573 11205 1 20 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.097 -0.025 25573 11206 1 20 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.666 -2.691 25573 11207 1 20 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.325 -1.573 25573 11208 1 20 . 1 1 74 74 PHE N N 74 115.001 115.001 117.204 -2.203 25573 11209 1 20 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.387 0.435 25573 11210 1 20 . 1 1 74 74 PHE CA C 74 55.121 55.121 58.645 -3.524 25573 11211 1 20 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.651 -3.064 25573 11212 1 20 . 1 1 74 74 PHE H H 74 8.530 8.530 7.747 0.783 25573 11213 1 20 . 1 1 75 75 GLY N N 75 110.366 110.366 106.151 4.215 25573 11214 1 20 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.255 -2.251 25573 11215 1 20 . 1 1 75 75 GLY H H 75 7.799 7.799 7.533 0.266 25573 11216 1 20 . 1 1 76 76 SER N N 76 113.283 113.283 115.452 -2.169 25573 11217 1 20 . 1 1 76 76 SER HA H 76 4.523 4.523 4.895 -0.372 25573 11218 1 20 . 1 1 76 76 SER CA C 76 54.361 54.361 58.406 -4.045 25573 11219 1 20 . 1 1 76 76 SER CB C 76 61.887 61.887 64.332 -2.445 25573 11220 1 20 . 1 1 76 76 SER H H 76 8.417 8.417 8.281 0.136 25573 11221 1 20 . 1 1 77 77 SER N N 77 114.950 114.950 118.873 -3.923 25573 11222 1 20 . 1 1 77 77 SER HA H 77 4.535 4.535 4.812 -0.277 25573 11223 1 20 . 1 1 77 77 SER CA C 77 53.833 53.833 57.450 -3.618 25573 11224 1 20 . 1 1 77 77 SER CB C 77 63.488 63.488 64.862 -1.374 25573 11225 1 20 . 1 1 77 77 SER H H 77 8.428 8.428 8.433 -0.005 25573 11226 1 20 . 1 1 78 78 LYS N N 78 122.032 122.032 124.745 -2.713 25573 11227 1 20 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.986 0.689 25573 11228 1 20 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.865 -5.738 25573 11229 1 20 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.405 -3.170 25573 11230 1 20 . 1 1 78 78 LYS H H 78 9.044 9.044 8.946 0.098 25573 11231 1 20 . 1 1 79 79 GLU N N 79 118.232 118.232 119.630 -1.398 25573 11232 1 20 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.399 -0.107 25573 11233 1 20 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.336 -1.232 25573 11234 1 20 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.772 -2.926 25573 11235 1 20 . 1 1 79 79 GLU H H 79 8.795 8.795 7.854 0.941 25573 11236 1 20 . 1 1 80 80 ILE N N 80 120.491 120.491 121.265 -0.774 25573 11237 1 20 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.649 0.080 25573 11238 1 20 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.780 -3.314 25573 11239 1 20 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.860 -1.751 25573 11240 1 20 . 1 1 80 80 ILE H H 80 7.892 7.892 8.151 -0.259 25573 11241 1 20 . 1 1 81 81 ASP N N 81 120.491 120.491 118.796 1.695 25573 11242 1 20 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.321 -0.015 25573 11243 1 20 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.653 -2.279 25573 11244 1 20 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.807 -3.431 25573 11245 1 20 . 1 1 81 81 ASP H H 81 8.424 8.424 8.470 -0.046 25573 11246 1 20 . 1 1 82 82 MET N N 82 118.588 118.588 119.751 -1.163 25573 11247 1 20 . 1 1 82 82 MET HA H 82 4.610 4.610 4.210 0.400 25573 11248 1 20 . 1 1 82 82 MET CA C 82 54.472 54.472 58.939 -4.467 25573 11249 1 20 . 1 1 82 82 MET CB C 82 29.557 29.557 32.637 -3.080 25573 11250 1 20 . 1 1 82 82 MET H H 82 8.215 8.215 7.809 0.406 25573 11251 1 20 . 1 1 83 83 ALA N N 83 127.525 127.525 123.088 4.437 25573 11252 1 20 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.163 -0.064 25573 11253 1 20 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.026 -1.118 25573 11254 1 20 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.281 -3.471 25573 11255 1 20 . 1 1 83 83 ALA H H 83 10.165 10.165 7.884 2.281 25573 11256 1 20 . 1 1 84 84 ILE N N 84 115.968 115.968 118.300 -2.332 25573 11257 1 20 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.529 0.005 25573 11258 1 20 . 1 1 84 84 ILE CA C 84 64.377 64.377 65.282 -0.905 25573 11259 1 20 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.766 -2.349 25573 11260 1 20 . 1 1 84 84 ILE H H 84 8.437 8.437 7.796 0.641 25573 11261 1 20 . 1 1 85 85 VAL N N 85 117.106 117.106 119.569 -2.463 25573 11262 1 20 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.502 0.543 25573 11263 1 20 . 1 1 85 85 VAL CA C 85 55.925 55.925 67.287 -11.362 25573 11264 1 20 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.689 -2.504 25573 11265 1 20 . 1 1 85 85 VAL H H 85 7.835 7.835 7.828 0.007 25573 11266 1 20 . 1 1 86 86 THR N N 86 116.673 116.673 114.085 2.588 25573 11267 1 20 . 1 1 86 86 THR HA H 86 4.181 4.181 3.817 0.364 25573 11268 1 20 . 1 1 86 86 THR CA C 86 59.627 59.627 66.141 -6.514 25573 11269 1 20 . 1 1 86 86 THR CB C 86 65.856 65.856 68.715 -2.859 25573 11270 1 20 . 1 1 86 86 THR H H 86 8.254 8.254 8.146 0.108 25573 11271 1 20 . 1 1 87 87 LEU N N 87 121.447 121.447 121.738 -0.291 25573 11272 1 20 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.145 0.437 25573 11273 1 20 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.312 -0.456 25573 11274 1 20 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.681 -9.856 25573 11275 1 20 . 1 1 87 87 LEU H H 87 7.913 7.913 8.344 -0.431 25573 11276 1 20 . 1 1 88 88 LYS N N 88 119.505 119.505 120.615 -1.110 25573 11277 1 20 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.823 0.318 25573 11278 1 20 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.328 -3.258 25573 11279 1 20 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.065 -2.178 25573 11280 1 20 . 1 1 88 88 LYS H H 88 7.970 7.970 7.543 0.427 25573 11281 1 20 . 1 1 89 89 VAL N N 89 119.366 119.366 119.220 0.146 25573 11282 1 20 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.711 0.109 25573 11283 1 20 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.314 -9.358 25573 11284 1 20 . 1 1 89 89 VAL H H 89 8.082 8.082 7.752 0.330 25573 11285 1 20 . 1 1 90 90 PHE N N 90 119.366 119.366 120.114 -0.748 25573 11286 1 20 . 1 1 90 90 PHE HA H 90 4.424 4.424 3.910 0.514 25573 11287 1 20 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.607 -4.456 25573 11288 1 20 . 1 1 90 90 PHE CB C 90 35.630 35.630 37.998 -2.368 25573 11289 1 20 . 1 1 90 90 PHE H H 90 8.104 8.104 7.880 0.224 25573 11290 1 20 . 1 1 91 91 ALA N N 91 118.916 118.916 121.805 -2.889 25573 11291 1 20 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.625 0.891 25573 11292 1 20 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.994 -0.582 25573 11293 1 20 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.154 -2.264 25573 11294 1 20 . 1 1 91 91 ALA H H 91 8.187 8.187 7.457 0.730 25573 11295 1 20 . 1 1 92 92 VAL N N 92 113.741 113.741 119.302 -5.561 25573 11296 1 20 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.632 -0.045 25573 11297 1 20 . 1 1 92 92 VAL CA C 92 63.579 63.579 67.334 -3.755 25573 11298 1 20 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.712 -0.920 25573 11299 1 20 . 1 1 92 92 VAL H H 92 8.196 8.196 8.201 -0.005 25573 11300 1 20 . 1 1 93 93 ALA N N 93 119.366 119.366 119.842 -0.476 25573 11301 1 20 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.115 0.579 25573 11302 1 20 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.193 -3.912 25573 11303 1 20 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.208 -1.493 25573 11304 1 20 . 1 1 93 93 ALA H H 93 8.564 8.564 8.459 0.105 25573 11305 1 20 . 1 1 94 94 GLY N N 94 104.958 104.958 107.345 -2.387 25573 11306 1 20 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.931 -2.007 25573 11307 1 20 . 1 1 94 94 GLY H H 94 6.940 6.940 7.358 -0.418 25573 11308 1 20 . 1 1 95 95 LEU N N 95 120.679 120.679 121.824 -1.145 25573 11309 1 20 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.075 -0.070 25573 11310 1 20 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.296 -2.892 25573 11311 1 20 . 1 1 95 95 LEU CB C 95 38.225 38.225 40.998 -2.773 25573 11312 1 20 . 1 1 95 95 LEU H H 95 7.724 7.724 7.952 -0.228 25573 11313 1 20 . 1 1 96 96 LEU N N 96 115.261 115.261 117.100 -1.839 25573 11314 1 20 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.330 -0.055 25573 11315 1 20 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.773 -2.502 25573 11316 1 20 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.289 -2.603 25573 11317 1 20 . 1 1 96 96 LEU H H 96 7.723 7.723 7.746 -0.023 25573 11318 1 20 . 1 1 97 97 ASN N N 97 112.672 112.672 113.996 -1.324 25573 11319 1 20 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.443 -0.202 25573 11320 1 20 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.512 -3.312 25573 11321 1 20 . 1 1 97 97 ASN CB C 97 34.445 34.445 36.645 -2.200 25573 11322 1 20 . 1 1 97 97 ASN H H 97 6.694 6.694 7.609 -0.915 25573 11323 1 20 . 1 1 98 98 MET N N 98 115.968 115.968 118.593 -2.625 25573 11324 1 20 . 1 1 98 98 MET HA H 98 4.614 4.614 4.443 0.171 25573 11325 1 20 . 1 1 98 98 MET CA C 98 51.685 51.685 55.876 -4.191 25573 11326 1 20 . 1 1 98 98 MET CB C 98 29.808 29.808 34.317 -4.509 25573 11327 1 20 . 1 1 98 98 MET H H 98 8.168 8.168 7.778 0.390 25573 11328 1 20 . 1 1 99 99 THR N N 99 118.683 118.683 114.174 4.509 25573 11329 1 20 . 1 1 99 99 THR HA H 99 4.184 4.184 4.511 -0.327 25573 11330 1 20 . 1 1 99 99 THR CA C 99 59.813 59.813 61.487 -1.674 25573 11331 1 20 . 1 1 99 99 THR CB C 99 65.438 65.438 68.664 -3.226 25573 11332 1 20 . 1 1 99 99 THR H H 99 8.562 8.562 8.282 0.280 25573 11333 1 20 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.069 0.050 25573 11334 1 20 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.429 -5.728 25573 11335 1 20 . 1 1 100 100 VAL H H 100 8.392 8.392 7.775 0.617 25573 11336 1 20 . 1 1 101 101 SER N N 101 121.736 121.736 112.904 8.832 25573 11337 1 20 . 1 1 101 101 SER HA H 101 4.645 4.645 4.655 -0.010 25573 11338 1 20 . 1 1 101 101 SER CA C 101 56.852 56.852 59.263 -2.410 25573 11339 1 20 . 1 1 101 101 SER CB C 101 61.739 61.739 64.100 -2.361 25573 11340 1 20 . 1 1 101 101 SER H H 101 8.079 8.079 8.612 -0.533 25573 11341 1 20 . 1 1 102 102 THR N N 102 110.147 110.147 109.959 0.188 25573 11342 1 20 . 1 1 102 102 THR HA H 102 5.450 5.450 5.033 0.417 25573 11343 1 20 . 1 1 102 102 THR CA C 102 56.522 56.522 59.969 -3.447 25573 11344 1 20 . 1 1 102 102 THR CB C 102 71.007 71.007 71.647 -0.639 25573 11345 1 20 . 1 1 102 102 THR H H 102 7.276 7.276 7.460 -0.184 25573 11346 1 20 . 1 1 103 103 ALA N N 103 124.013 124.013 125.456 -1.443 25573 11347 1 20 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.062 -0.108 25573 11348 1 20 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.769 -3.491 25573 11349 1 20 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.554 -2.870 25573 11350 1 20 . 1 1 103 103 ALA H H 103 8.433 8.433 8.461 -0.028 25573 11351 1 20 . 1 1 104 104 ALA N N 104 119.649 119.649 120.803 -1.154 25573 11352 1 20 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.011 0.275 25573 11353 1 20 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.583 -2.281 25573 11354 1 20 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.166 -1.646 25573 11355 1 20 . 1 1 104 104 ALA H H 104 8.474 8.474 8.145 0.329 25573 11356 1 20 . 1 1 105 105 ALA N N 105 120.587 120.587 120.877 -0.290 25573 11357 1 20 . 1 1 105 105 ALA HA H 105 4.264 4.264 3.987 0.277 25573 11358 1 20 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.976 -2.778 25573 11359 1 20 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.246 -2.501 25573 11360 1 20 . 1 1 105 105 ALA H H 105 8.050 8.050 7.710 0.340 25573 11361 1 20 . 1 1 106 106 ALA N N 106 121.752 121.752 121.118 0.634 25573 11362 1 20 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.951 -0.684 25573 11363 1 20 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.292 -3.781 25573 11364 1 20 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.163 -2.115 25573 11365 1 20 . 1 1 106 106 ALA H H 106 8.071 8.071 7.802 0.269 25573 11366 1 20 . 1 1 107 107 GLU N N 107 119.133 119.133 118.609 0.524 25573 11367 1 20 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.954 -0.095 25573 11368 1 20 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.535 -2.200 25573 11369 1 20 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.473 -2.364 25573 11370 1 20 . 1 1 107 107 GLU H H 107 8.711 8.711 7.983 0.728 25573 11371 1 20 . 1 1 108 108 ASN N N 108 118.306 118.306 118.752 -0.446 25573 11372 1 20 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.513 0.088 25573 11373 1 20 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.225 -2.254 25573 11374 1 20 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.316 -2.864 25573 11375 1 20 . 1 1 108 108 ASN H H 108 8.045 8.045 8.287 -0.242 25573 11376 1 20 . 1 1 109 109 MET N N 109 120.038 120.038 120.722 -0.684 25573 11377 1 20 . 1 1 109 109 MET HA H 109 4.305 4.305 4.425 -0.120 25573 11378 1 20 . 1 1 109 109 MET CA C 109 55.602 55.602 58.584 -2.982 25573 11379 1 20 . 1 1 109 109 MET CB C 109 29.771 29.771 32.844 -3.073 25573 11380 1 20 . 1 1 109 109 MET H H 109 8.401 8.401 7.878 0.523 25573 11381 1 20 . 1 1 110 110 TYR N N 110 121.616 121.616 120.966 0.650 25573 11382 1 20 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.067 -0.404 25573 11383 1 20 . 1 1 110 110 TYR CA C 110 58.925 58.925 62.022 -3.097 25573 11384 1 20 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.518 -2.592 25573 11385 1 20 . 1 1 110 110 TYR H H 110 8.651 8.651 8.562 0.089 25573 11386 1 20 . 1 1 111 111 SER N N 111 110.621 110.621 112.597 -1.976 25573 11387 1 20 . 1 1 111 111 SER HA H 111 4.540 4.540 4.231 0.309 25573 11388 1 20 . 1 1 111 111 SER CA C 111 58.395 58.395 59.817 -1.422 25573 11389 1 20 . 1 1 111 111 SER CB C 111 60.600 60.600 62.984 -2.385 25573 11390 1 20 . 1 1 111 111 SER H H 111 7.394 7.394 7.998 -0.604 25573 11391 1 20 . 1 1 112 112 GLN N N 112 125.643 125.643 123.373 2.270 25573 11392 1 20 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.070 -0.011 25573 11393 1 20 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.581 -2.498 25573 11394 1 20 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.985 -3.340 25573 11395 1 20 . 1 1 112 112 GLN H H 112 8.774 8.774 8.265 0.509 25573 11396 1 20 . 1 1 113 113 MET N N 113 114.866 114.866 116.007 -1.141 25573 11397 1 20 . 1 1 113 113 MET HA H 113 4.275 4.275 4.637 -0.362 25573 11398 1 20 . 1 1 113 113 MET CA C 113 53.246 53.246 54.800 -1.554 25573 11399 1 20 . 1 1 113 113 MET CB C 113 31.365 31.365 33.359 -1.994 25573 11400 1 20 . 1 1 113 113 MET H H 113 8.070 8.070 7.693 0.377 25573 11401 1 20 . 1 1 114 114 GLY N N 114 107.252 107.252 109.005 -1.753 25573 11402 1 20 . 1 1 114 114 GLY CA C 114 42.960 42.960 46.000 -3.040 25573 11403 1 20 . 1 1 114 114 GLY H H 114 8.012 8.012 7.728 0.284 25573 11404 1 20 . 1 1 115 115 LEU N N 115 114.939 114.939 116.730 -1.791 25573 11405 1 20 . 1 1 115 115 LEU HA H 115 3.875 3.875 3.723 0.152 25573 11406 1 20 . 1 1 115 115 LEU CA C 115 53.209 53.209 55.469 -2.260 25573 11407 1 20 . 1 1 115 115 LEU CB C 115 35.458 35.458 40.902 -5.444 25573 11408 1 20 . 1 1 115 115 LEU H H 115 7.447 7.447 7.658 -0.211 25573 11409 1 20 . 1 1 116 116 ASP N N 116 116.423 116.423 118.546 -2.123 25573 11410 1 20 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.882 -0.212 25573 11411 1 20 . 1 1 116 116 ASP CA C 116 52.303 52.303 52.641 -0.338 25573 11412 1 20 . 1 1 116 116 ASP CB C 116 37.319 37.319 44.402 -7.083 25573 11413 1 20 . 1 1 116 116 ASP H H 116 8.518 8.518 7.684 0.834 25573 11414 1 20 . 1 1 117 117 THR N N 117 113.582 113.582 114.849 -1.267 25573 11415 1 20 . 1 1 117 117 THR HA H 117 4.194 4.194 4.391 -0.197 25573 11416 1 20 . 1 1 117 117 THR CA C 117 58.925 58.925 61.901 -2.976 25573 11417 1 20 . 1 1 117 117 THR CB C 117 67.320 67.320 69.570 -2.250 25573 11418 1 20 . 1 1 117 117 THR H H 117 7.240 7.240 8.224 -0.984 25573 11419 1 20 . 1 1 118 118 ARG N N 118 126.068 126.068 122.062 4.006 25573 11420 1 20 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.242 0.324 25573 11421 1 20 . 1 1 118 118 ARG CA C 118 52.343 52.343 55.165 -2.822 25573 11422 1 20 . 1 1 118 118 ARG CB C 118 33.708 33.708 29.527 4.181 25573 11423 1 20 . 1 1 118 118 ARG H H 118 8.711 8.711 8.382 0.329 25573 11424 1 20 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.531 -2.453 25573 11425 1 20 . 1 1 119 119 PRO CA C 119 60.043 60.043 63.084 -3.041 25573 11426 1 20 . 1 1 120 120 SER N N 120 116.251 116.251 118.276 -2.025 25573 11427 1 20 . 1 1 120 120 SER HA H 120 4.385 4.385 4.836 -0.451 25573 11428 1 20 . 1 1 120 120 SER CA C 120 55.352 55.352 57.730 -2.378 25573 11429 1 20 . 1 1 120 120 SER CB C 120 61.037 61.037 65.013 -3.976 25573 11430 1 20 . 1 1 120 120 SER H H 120 8.385 8.385 7.936 0.449 25573 11431 1 20 . 1 1 121 121 MET N N 121 123.171 123.171 121.769 1.402 25573 11432 1 20 . 1 1 121 121 MET HA H 121 4.289 4.289 4.656 -0.367 25573 11433 1 20 . 1 1 121 121 MET CA C 121 53.282 53.282 55.500 -2.218 25573 11434 1 20 . 1 1 121 121 MET CB C 121 30.755 30.755 33.780 -3.025 25573 11435 1 20 . 1 1 121 121 MET H H 121 8.297 8.297 8.283 0.014 25573 11436 1 20 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.160 0.098 25573 11437 1 20 . 1 1 122 122 LYS CA C 122 53.669 53.669 57.627 -3.958 25573 11438 1 20 . 1 1 123 123 GLU N N 123 122.135 122.135 118.243 3.892 25573 11439 1 20 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.223 -8.320 25573 11440 1 20 . 1 1 123 123 GLU CB C 123 30.404 30.404 28.814 1.590 25573 11441 1 20 . 1 1 123 123 GLU H H 123 8.505 8.505 8.201 0.304 25573 11442 1 20 . 1 1 124 124 ALA N N 124 125.340 125.340 120.390 4.950 25573 11443 1 20 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.189 0.142 25573 11444 1 20 . 1 1 124 124 ALA CA C 124 49.833 49.833 53.794 -3.961 25573 11445 1 20 . 1 1 124 124 ALA CB C 124 16.665 16.665 17.688 -1.023 25573 11446 1 20 . 1 1 124 124 ALA H H 124 8.422 8.422 8.609 -0.187 25573 11447 1 20 . 1 1 125 125 GLY N N 125 108.426 108.426 110.106 -1.680 25573 11448 1 20 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.147 -2.406 25573 11449 1 20 . 1 1 125 125 GLY H H 125 8.401 8.401 8.494 -0.093 25573 11450 1 20 . 1 1 126 126 GLY N N 126 109.792 109.792 108.807 0.985 25573 11451 1 20 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.565 -2.318 25573 11452 1 20 . 1 1 126 126 GLY H H 126 8.515 8.515 8.001 0.514 25573 11453 1 20 . 1 1 127 127 LYS N N 127 120.366 120.366 121.842 -1.476 25573 11454 1 20 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.404 -0.083 25573 11455 1 20 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.464 -2.920 25573 11456 1 20 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.251 -2.899 25573 11457 1 20 . 1 1 127 127 LYS H H 127 8.244 8.244 8.142 0.102 25573 11458 1 20 . 1 1 128 128 GLU N N 128 122.270 122.270 119.775 2.495 25573 11459 1 20 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.072 -0.028 25573 11460 1 20 . 1 1 128 128 GLU H H 128 8.559 8.559 7.930 0.629 25573 11461 1 20 . 1 1 129 129 GLU N N 129 122.282 122.282 121.649 0.633 25573 11462 1 20 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.525 0.011 25573 11463 1 20 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.200 -0.011 25573 11464 1 20 . 1 1 129 129 GLU H H 129 8.027 8.027 8.466 -0.439 25573 11465 1 20 . 1 1 130 130 GLY N N 130 110.258 110.258 110.597 -0.339 25573 11466 1 20 . 1 1 130 130 GLY CA C 130 41.661 41.661 43.628 -1.967 25573 11467 1 20 . 1 1 130 130 GLY H H 130 10.190 10.190 7.733 2.457 25573 11468 1 20 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.363 0.016 25573 11469 1 20 . 1 1 132 132 PRO CA C 132 60.469 60.469 62.859 -2.390 25573 11470 1 20 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.861 -3.631 25573 11471 1 20 . 1 1 133 133 GLN N N 133 119.932 119.932 116.589 3.343 25573 11472 1 20 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.016 0.303 25573 11473 1 20 . 1 1 133 133 GLN CA C 133 53.249 53.249 56.127 -2.877 25573 11474 1 20 . 1 1 133 133 GLN CB C 133 29.655 29.655 27.225 2.430 25573 11475 1 20 . 1 1 133 133 GLN H H 133 8.478 8.478 8.501 -0.023 25573 11476 1 20 . 1 1 134 134 ALA N N 134 124.828 124.828 120.368 4.460 25573 11477 1 20 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.077 0.172 25573 11478 1 20 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.831 -3.139 25573 11479 1 20 . 1 1 134 134 ALA CB C 134 16.024 16.024 18.786 -2.762 25573 11480 1 20 . 1 1 134 134 ALA H H 134 8.263 8.263 7.986 0.277 25573 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 116 2.749 0.199 2.754 25573 2 1 1 "Average Difference" HA 106 0.449 0.014 0.451 25573 3 1 1 "Average Difference" C 1 8.065 8.065 0.000 25573 4 1 1 "Average Difference" CA 128 3.349 2.576 2.148 25573 5 1 1 "Average Difference" CB 105 3.381 2.385 2.408 25573 6 1 1 "Average Difference" HN 118 0.496 -0.156 0.473 25573 7 1 2 "Average Difference" N 116 2.843 0.093 2.854 25573 8 1 2 "Average Difference" HA 106 0.440 -0.015 0.442 25573 9 1 2 "Average Difference" C 1 8.738 8.738 0.000 25573 10 1 2 "Average Difference" CA 128 3.374 2.614 2.142 25573 11 1 2 "Average Difference" CB 105 3.403 2.342 2.481 25573 12 1 2 "Average Difference" HN 118 0.523 -0.152 0.503 25573 13 1 3 "Average Difference" N 116 2.708 0.190 2.713 25573 14 1 3 "Average Difference" HA 106 0.424 -0.003 0.426 25573 15 1 3 "Average Difference" C 1 8.332 8.332 0.000 25573 16 1 3 "Average Difference" CA 128 3.392 2.615 2.170 25573 17 1 3 "Average Difference" CB 105 3.417 2.399 2.446 25573 18 1 3 "Average Difference" HN 118 0.529 -0.174 0.502 25573 19 1 4 "Average Difference" N 116 2.350 0.443 2.318 25573 20 1 4 "Average Difference" HA 106 0.461 -0.018 0.463 25573 21 1 4 "Average Difference" C 1 7.868 7.868 0.000 25573 22 1 4 "Average Difference" CA 128 3.394 2.624 2.161 25573 23 1 4 "Average Difference" CB 105 3.395 2.332 2.479 25573 24 1 4 "Average Difference" HN 118 0.561 -0.133 0.547 25573 25 1 5 "Average Difference" N 116 2.744 0.164 2.751 25573 26 1 5 "Average Difference" HA 106 0.438 -0.021 0.440 25573 27 1 5 "Average Difference" C 1 8.367 8.367 0.000 25573 28 1 5 "Average Difference" CA 128 3.508 2.746 2.191 25573 29 1 5 "Average Difference" CB 105 3.350 2.291 2.456 25573 30 1 5 "Average Difference" HN 118 0.540 -0.151 0.521 25573 31 1 6 "Average Difference" N 116 2.628 0.193 2.632 25573 32 1 6 "Average Difference" HA 106 0.433 0.002 0.435 25573 33 1 6 "Average Difference" C 1 7.972 7.972 0.000 25573 34 1 6 "Average Difference" CA 128 3.421 2.634 2.191 25573 35 1 6 "Average Difference" CB 105 3.470 2.420 2.499 25573 36 1 6 "Average Difference" HN 118 0.533 -0.154 0.512 25573 37 1 7 "Average Difference" N 116 2.862 0.032 2.875 25573 38 1 7 "Average Difference" HA 106 0.459 -0.002 0.461 25573 39 1 7 "Average Difference" C 1 8.472 8.472 0.000 25573 40 1 7 "Average Difference" CA 128 3.371 2.636 2.108 25573 41 1 7 "Average Difference" CB 105 3.449 2.392 2.497 25573 42 1 7 "Average Difference" HN 118 0.562 -0.143 0.546 25573 43 1 8 "Average Difference" N 116 2.449 0.341 2.436 25573 44 1 8 "Average Difference" HA 106 0.434 0.004 0.436 25573 45 1 8 "Average Difference" C 1 8.182 8.182 0.000 25573 46 1 8 "Average Difference" CA 128 3.394 2.593 2.198 25573 47 1 8 "Average Difference" CB 105 3.431 2.339 2.522 25573 48 1 8 "Average Difference" HN 118 0.536 -0.143 0.519 25573 49 1 9 "Average Difference" N 116 2.754 0.259 2.753 25573 50 1 9 "Average Difference" HA 106 0.414 -0.002 0.416 25573 51 1 9 "Average Difference" C 1 7.654 7.654 0.000 25573 52 1 9 "Average Difference" CA 128 3.287 2.582 2.042 25573 53 1 9 "Average Difference" CB 105 3.398 2.312 2.502 25573 54 1 9 "Average Difference" HN 118 0.512 -0.145 0.493 25573 55 1 10 "Average Difference" N 116 2.735 0.420 2.714 25573 56 1 10 "Average Difference" HA 106 0.442 0.018 0.444 25573 57 1 10 "Average Difference" C 1 8.212 8.212 0.000 25573 58 1 10 "Average Difference" CA 128 3.338 2.553 2.159 25573 59 1 10 "Average Difference" CB 105 3.441 2.457 2.420 25573 60 1 10 "Average Difference" HN 118 0.544 -0.162 0.522 25573 61 1 11 "Average Difference" N 116 2.680 0.533 2.638 25573 62 1 11 "Average Difference" HA 106 0.453 -0.003 0.455 25573 63 1 11 "Average Difference" C 1 8.716 8.716 0.000 25573 64 1 11 "Average Difference" CA 128 3.336 2.620 2.073 25573 65 1 11 "Average Difference" CB 105 3.414 2.391 2.449 25573 66 1 11 "Average Difference" HN 118 0.540 -0.140 0.523 25573 67 1 12 "Average Difference" N 116 2.654 0.353 2.642 25573 68 1 12 "Average Difference" HA 106 0.429 -0.012 0.431 25573 69 1 12 "Average Difference" C 1 8.044 8.044 0.000 25573 70 1 12 "Average Difference" CA 128 3.415 2.643 2.171 25573 71 1 12 "Average Difference" CB 105 3.405 2.391 2.436 25573 72 1 12 "Average Difference" HN 118 0.546 -0.160 0.525 25573 73 1 13 "Average Difference" N 116 2.868 0.249 2.869 25573 74 1 13 "Average Difference" HA 106 0.432 -0.013 0.434 25573 75 1 13 "Average Difference" C 1 8.427 8.427 0.000 25573 76 1 13 "Average Difference" CA 128 3.430 2.638 2.202 25573 77 1 13 "Average Difference" CB 105 3.335 2.296 2.430 25573 78 1 13 "Average Difference" HN 118 0.567 -0.131 0.554 25573 79 1 14 "Average Difference" N 116 2.782 0.234 2.784 25573 80 1 14 "Average Difference" HA 106 0.429 -0.024 0.430 25573 81 1 14 "Average Difference" C 1 8.397 8.397 0.000 25573 82 1 14 "Average Difference" CA 128 3.460 2.705 2.166 25573 83 1 14 "Average Difference" CB 105 3.394 2.351 2.459 25573 84 1 14 "Average Difference" HN 118 0.527 -0.150 0.507 25573 85 1 15 "Average Difference" N 116 2.645 0.381 2.629 25573 86 1 15 "Average Difference" HA 106 0.463 -0.023 0.464 25573 87 1 15 "Average Difference" C 1 8.595 8.595 0.000 25573 88 1 15 "Average Difference" CA 128 3.363 2.598 2.145 25573 89 1 15 "Average Difference" CB 105 3.453 2.393 2.502 25573 90 1 15 "Average Difference" HN 118 0.556 -0.143 0.540 25573 91 1 16 "Average Difference" N 116 2.662 0.478 2.630 25573 92 1 16 "Average Difference" HA 106 0.441 -0.011 0.442 25573 93 1 16 "Average Difference" C 1 8.760 8.760 0.000 25573 94 1 16 "Average Difference" CA 128 3.374 2.666 2.077 25573 95 1 16 "Average Difference" CB 105 3.367 2.368 2.405 25573 96 1 16 "Average Difference" HN 118 0.527 -0.147 0.508 25573 97 1 17 "Average Difference" N 116 2.728 0.145 2.736 25573 98 1 17 "Average Difference" HA 106 0.433 -0.011 0.434 25573 99 1 17 "Average Difference" C 1 8.083 8.083 0.000 25573 100 1 17 "Average Difference" CA 128 3.279 2.578 2.034 25573 101 1 17 "Average Difference" CB 105 3.455 2.410 2.487 25573 102 1 17 "Average Difference" HN 118 0.523 -0.159 0.500 25573 103 1 18 "Average Difference" N 116 2.681 0.385 2.665 25573 104 1 18 "Average Difference" HA 106 0.436 -0.031 0.437 25573 105 1 18 "Average Difference" C 1 8.440 8.440 0.000 25573 106 1 18 "Average Difference" CA 128 3.459 2.683 2.193 25573 107 1 18 "Average Difference" CB 105 3.374 2.370 2.413 25573 108 1 18 "Average Difference" HN 118 0.566 -0.154 0.547 25573 109 1 19 "Average Difference" N 116 2.740 0.203 2.745 25573 110 1 19 "Average Difference" HA 106 0.440 -0.014 0.442 25573 111 1 19 "Average Difference" C 1 8.076 8.076 0.000 25573 112 1 19 "Average Difference" CA 128 3.409 2.648 2.156 25573 113 1 19 "Average Difference" CB 105 3.399 2.381 2.437 25573 114 1 19 "Average Difference" HN 118 0.531 -0.128 0.518 25573 115 1 20 "Average Difference" N 116 2.813 0.087 2.823 25573 116 1 20 "Average Difference" HA 106 0.437 -0.016 0.439 25573 117 1 20 "Average Difference" C 1 9.129 9.129 0.000 25573 118 1 20 "Average Difference" CA 128 3.437 2.707 2.127 25573 119 1 20 "Average Difference" CB 105 3.487 2.351 2.587 25573 120 1 20 "Average Difference" HN 118 0.563 -0.184 0.535 25573 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 25573 _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 ASN N N 3 119.366 119.366 119.578 -0.212 25573 2 1 . 1 1 3 3 ASN HA H 3 4.583 4.583 4.713 -0.130 25573 3 1 . 1 1 3 3 ASN CA C 3 51.391 51.391 53.320 -1.929 25573 4 1 . 1 1 3 3 ASN CB C 3 35.712 35.712 38.785 -3.073 25573 5 1 . 1 1 3 3 ASN H H 3 8.596 8.596 8.521 0.075 25573 6 1 . 1 1 4 4 GLY N N 4 112.829 112.829 107.722 5.107 25573 7 1 . 1 1 4 4 GLY CA C 4 42.702 42.702 44.874 -2.172 25573 8 1 . 1 1 4 4 GLY H H 4 8.073 8.073 8.178 -0.105 25573 9 1 . 1 1 5 5 ALA N N 5 123.630 123.630 122.286 1.344 25573 10 1 . 1 1 5 5 ALA HA H 5 4.403 4.403 4.587 -0.184 25573 11 1 . 1 1 5 5 ALA CA C 5 49.640 49.640 52.272 -2.632 25573 12 1 . 1 1 5 5 ALA CB C 5 16.414 16.414 19.752 -3.337 25573 13 1 . 1 1 5 5 ALA H H 5 8.008 8.008 8.036 -0.028 25573 14 1 . 1 1 6 6 SER N N 6 114.866 114.866 116.376 -1.510 25573 15 1 . 1 1 6 6 SER HA H 6 4.270 4.270 4.571 -0.301 25573 16 1 . 1 1 6 6 SER CA C 6 56.023 56.023 58.479 -2.456 25573 17 1 . 1 1 6 6 SER CB C 6 60.936 60.936 63.732 -2.796 25573 18 1 . 1 1 6 6 SER H H 6 8.293 8.293 8.488 -0.195 25573 19 1 . 1 1 7 7 ARG N N 7 119.250 119.250 123.035 -3.785 25573 20 1 . 1 1 7 7 ARG CA C 7 59.506 59.506 59.558 -0.052 25573 21 1 . 1 1 7 7 ARG CB C 7 30.422 30.422 30.116 0.306 25573 22 1 . 1 1 7 7 ARG H H 7 8.305 8.305 8.515 -0.210 25573 23 1 . 1 1 8 8 ASP N N 8 119.662 119.662 118.998 0.664 25573 24 1 . 1 1 8 8 ASP HA H 8 4.153 4.153 4.427 -0.274 25573 25 1 . 1 1 8 8 ASP CA C 8 56.554 56.554 58.160 -1.606 25573 26 1 . 1 1 8 8 ASP CB C 8 26.501 26.501 40.450 -13.949 25573 27 1 . 1 1 8 8 ASP H H 8 7.915 7.915 8.673 -0.758 25573 28 1 . 1 1 9 9 TRP N N 9 121.861 121.861 121.368 0.493 25573 29 1 . 1 1 9 9 TRP HA H 9 4.116 4.116 4.437 -0.321 25573 30 1 . 1 1 9 9 TRP CA C 9 55.962 55.962 60.099 -4.137 25573 31 1 . 1 1 9 9 TRP CB C 9 28.022 28.022 29.784 -1.762 25573 32 1 . 1 1 9 9 TRP H H 9 8.222 8.222 7.827 0.395 25573 33 1 . 1 1 10 10 LYS N N 10 118.681 118.681 119.476 -0.795 25573 34 1 . 1 1 10 10 LYS HA H 10 4.282 4.282 3.895 0.387 25573 35 1 . 1 1 10 10 LYS CA C 10 58.899 58.899 59.796 -0.897 25573 36 1 . 1 1 10 10 LYS CB C 10 28.039 28.039 32.384 -4.345 25573 37 1 . 1 1 10 10 LYS H H 10 8.003 8.003 8.186 -0.183 25573 38 1 . 1 1 11 11 MET N N 11 119.366 119.366 118.344 1.022 25573 39 1 . 1 1 11 11 MET HA H 11 4.559 4.559 4.172 0.387 25573 40 1 . 1 1 11 11 MET CA C 11 53.485 53.485 58.438 -4.953 25573 41 1 . 1 1 11 11 MET H H 11 8.041 8.041 8.213 -0.172 25573 42 1 . 1 1 12 12 ALA N N 12 122.650 122.650 122.770 -0.120 25573 43 1 . 1 1 12 12 ALA HA H 12 4.209 4.209 4.030 0.179 25573 44 1 . 1 1 12 12 ALA CA C 12 59.799 59.799 54.942 4.857 25573 45 1 . 1 1 12 12 ALA CB C 12 17.772 17.772 18.266 -0.494 25573 46 1 . 1 1 12 12 ALA H H 12 7.904 7.904 7.909 -0.005 25573 47 1 . 1 1 13 13 ILE N N 13 117.322 117.322 117.911 -0.589 25573 48 1 . 1 1 13 13 ILE CA C 13 64.578 64.578 63.151 1.427 25573 49 1 . 1 1 13 13 ILE CB C 13 28.903 28.903 36.762 -7.859 25573 50 1 . 1 1 13 13 ILE H H 13 8.380 8.380 7.871 0.509 25573 51 1 . 1 1 15 15 ARG CA C 15 59.916 59.916 58.423 1.493 25573 52 1 . 1 1 16 16 CYS N N 16 116.263 116.263 119.878 -3.615 25573 53 1 . 1 1 16 16 CYS HA H 16 4.045 4.045 4.207 -0.162 25573 54 1 . 1 1 16 16 CYS CA C 16 59.784 59.784 62.045 -2.261 25573 55 1 . 1 1 16 16 CYS CB C 16 28.810 28.810 26.609 2.201 25573 56 1 . 1 1 16 16 CYS H H 16 7.799 7.799 8.048 -0.249 25573 57 1 . 1 1 17 17 SER N N 17 114.606 114.606 116.232 -1.626 25573 58 1 . 1 1 17 17 SER HA H 17 4.952 4.952 4.375 0.577 25573 59 1 . 1 1 17 17 SER CA C 17 58.171 58.171 61.453 -3.282 25573 60 1 . 1 1 17 17 SER CB C 17 60.740 60.740 62.969 -2.229 25573 61 1 . 1 1 17 17 SER H H 17 7.830 7.830 8.259 -0.429 25573 62 1 . 1 1 18 18 ASN N N 18 116.143 116.143 118.837 -2.694 25573 63 1 . 1 1 18 18 ASN HA H 18 5.008 5.008 4.776 0.232 25573 64 1 . 1 1 18 18 ASN CA C 18 50.475 50.475 53.216 -2.741 25573 65 1 . 1 1 18 18 ASN CB C 18 37.289 37.289 38.839 -1.550 25573 66 1 . 1 1 18 18 ASN H H 18 7.557 7.557 7.766 -0.209 25573 67 1 . 1 1 19 19 VAL N N 19 121.616 121.616 119.382 2.234 25573 68 1 . 1 1 19 19 VAL HA H 19 3.499 3.499 4.230 -0.731 25573 69 1 . 1 1 19 19 VAL CA C 19 59.730 59.730 61.355 -1.625 25573 70 1 . 1 1 19 19 VAL CB C 19 29.042 29.042 33.828 -4.786 25573 71 1 . 1 1 19 19 VAL H H 19 7.919 7.919 7.731 0.188 25573 72 1 . 1 1 20 20 ALA N N 20 129.139 129.139 128.446 0.693 25573 73 1 . 1 1 20 20 ALA HA H 20 4.795 4.795 4.778 0.017 25573 74 1 . 1 1 20 20 ALA C C 20 169.500 169.500 177.826 -8.326 25573 75 1 . 1 1 20 20 ALA CA C 20 49.415 49.415 49.977 -0.561 25573 76 1 . 1 1 20 20 ALA CB C 20 17.716 17.716 21.541 -3.825 25573 77 1 . 1 1 20 20 ALA H H 20 8.150 8.150 7.914 0.236 25573 78 1 . 1 1 21 21 VAL N N 21 120.390 120.390 119.315 1.075 25573 79 1 . 1 1 21 21 VAL HA H 21 3.767 3.767 3.786 -0.019 25573 80 1 . 1 1 21 21 VAL CA C 21 63.578 63.578 64.833 -1.255 25573 81 1 . 1 1 21 21 VAL CB C 21 29.746 29.746 31.707 -1.961 25573 82 1 . 1 1 21 21 VAL H H 21 8.319 8.319 8.140 0.179 25573 83 1 . 1 1 22 22 GLY N N 22 108.884 108.884 105.149 3.735 25573 84 1 . 1 1 22 22 GLY CA C 22 41.968 41.968 44.162 -2.194 25573 85 1 . 1 1 22 22 GLY H H 22 8.221 8.221 7.463 0.758 25573 86 1 . 1 1 23 23 VAL N N 23 117.439 117.439 117.456 -0.017 25573 87 1 . 1 1 23 23 VAL HA H 23 4.238 4.238 4.106 0.132 25573 88 1 . 1 1 23 23 VAL CA C 23 59.088 59.088 63.467 -4.379 25573 89 1 . 1 1 23 23 VAL CB C 23 30.434 30.434 32.144 -1.710 25573 90 1 . 1 1 23 23 VAL H H 23 8.003 8.003 8.393 -0.390 25573 91 1 . 1 1 24 24 GLY N N 24 112.616 112.616 106.814 5.803 25573 92 1 . 1 1 24 24 GLY CA C 24 42.779 42.779 44.698 -1.919 25573 93 1 . 1 1 24 24 GLY H H 24 8.716 8.716 7.773 0.943 25573 94 1 . 1 1 25 25 GLY N N 25 108.753 108.753 108.700 0.053 25573 95 1 . 1 1 25 25 GLY CA C 25 42.000 42.000 45.105 -3.106 25573 96 1 . 1 1 25 25 GLY H H 25 8.286 8.286 8.117 0.169 25573 97 1 . 1 1 26 26 LYS HA H 26 4.376 4.376 4.317 0.059 25573 98 1 . 1 1 26 26 LYS CA C 26 53.512 53.512 56.441 -2.929 25573 99 1 . 1 1 27 27 SER HA H 27 4.922 4.922 4.518 0.404 25573 100 1 . 1 1 27 27 SER CA C 27 56.876 56.876 58.067 -1.191 25573 101 1 . 1 1 27 27 SER CB C 27 64.578 64.578 63.718 0.860 25573 102 1 . 1 1 27 27 SER H H 27 7.831 7.831 8.196 -0.365 25573 103 1 . 1 1 28 28 LYS N N 28 122.919 122.919 122.855 0.064 25573 104 1 . 1 1 28 28 LYS HA H 28 4.184 4.184 4.431 -0.247 25573 105 1 . 1 1 28 28 LYS CA C 28 56.539 56.539 55.654 0.885 25573 106 1 . 1 1 28 28 LYS CB C 28 33.366 33.366 33.848 -0.482 25573 107 1 . 1 1 28 28 LYS H H 28 8.589 8.589 8.213 0.376 25573 108 1 . 1 1 29 29 LYS N N 29 120.917 120.917 120.411 0.506 25573 109 1 . 1 1 29 29 LYS HA H 29 4.383 4.383 4.696 -0.313 25573 110 1 . 1 1 29 29 LYS CA C 29 53.535 53.535 55.101 -1.566 25573 111 1 . 1 1 29 29 LYS CB C 29 32.076 32.076 34.368 -2.292 25573 112 1 . 1 1 29 29 LYS H H 29 8.471 8.471 7.979 0.492 25573 113 1 . 1 1 30 30 PHE N N 30 119.366 119.366 119.214 0.152 25573 114 1 . 1 1 30 30 PHE HA H 30 3.858 3.858 4.555 -0.697 25573 115 1 . 1 1 30 30 PHE CA C 30 58.172 58.172 57.215 0.957 25573 116 1 . 1 1 30 30 PHE CB C 30 38.242 38.242 40.758 -2.516 25573 117 1 . 1 1 30 30 PHE H H 30 8.000 8.000 8.126 -0.126 25573 118 1 . 1 1 31 31 GLY N N 31 106.991 106.991 105.643 1.348 25573 119 1 . 1 1 31 31 GLY CA C 31 40.936 40.936 44.290 -3.354 25573 120 1 . 1 1 31 31 GLY H H 31 8.404 8.404 7.764 0.640 25573 121 1 . 1 1 32 32 GLU N N 32 120.491 120.491 120.446 0.045 25573 122 1 . 1 1 32 32 GLU HA H 32 4.112 4.112 4.038 0.074 25573 123 1 . 1 1 32 32 GLU CA C 32 58.171 58.171 59.571 -1.400 25573 124 1 . 1 1 32 32 GLU CB C 32 27.306 27.306 29.410 -2.104 25573 125 1 . 1 1 32 32 GLU H H 32 9.168 9.168 8.821 0.347 25573 126 1 . 1 1 33 33 GLY N N 33 109.241 109.241 107.719 1.522 25573 127 1 . 1 1 33 33 GLY CA C 33 43.591 43.591 46.903 -3.312 25573 128 1 . 1 1 33 33 GLY H H 33 8.613 8.613 8.521 0.092 25573 129 1 . 1 1 34 34 ASN N N 34 118.241 118.241 120.662 -2.421 25573 130 1 . 1 1 34 34 ASN HA H 34 4.038 4.038 4.485 -0.447 25573 131 1 . 1 1 34 34 ASN CA C 34 54.463 54.463 55.924 -1.461 25573 132 1 . 1 1 34 34 ASN CB C 34 36.394 36.394 38.223 -1.829 25573 133 1 . 1 1 34 34 ASN H H 34 7.897 7.897 7.691 0.206 25573 134 1 . 1 1 35 35 PHE N N 35 117.116 117.116 119.343 -2.227 25573 135 1 . 1 1 35 35 PHE HA H 35 4.088 4.088 4.106 -0.019 25573 136 1 . 1 1 35 35 PHE CA C 35 59.312 59.312 60.760 -1.448 25573 137 1 . 1 1 35 35 PHE CB C 35 35.828 35.828 37.830 -2.002 25573 138 1 . 1 1 35 35 PHE H H 35 7.180 7.180 7.769 -0.589 25573 139 1 . 1 1 36 36 ARG N N 36 117.825 117.825 118.850 -1.025 25573 140 1 . 1 1 36 36 ARG HA H 36 3.572 3.572 4.029 -0.457 25573 141 1 . 1 1 36 36 ARG CA C 36 58.242 58.242 59.565 -1.323 25573 142 1 . 1 1 36 36 ARG CB C 36 33.997 33.997 29.741 4.256 25573 143 1 . 1 1 36 36 ARG H H 36 8.278 8.278 8.147 0.131 25573 144 1 . 1 1 37 37 TRP N N 37 118.845 118.845 121.840 -2.995 25573 145 1 . 1 1 37 37 TRP HA H 37 4.134 4.134 4.240 -0.106 25573 146 1 . 1 1 37 37 TRP CA C 37 58.900 58.900 61.232 -2.332 25573 147 1 . 1 1 37 37 TRP CB C 37 27.449 27.449 29.306 -1.857 25573 148 1 . 1 1 37 37 TRP H H 37 8.106 8.106 8.030 0.076 25573 149 1 . 1 1 38 38 ALA N N 38 119.609 119.609 122.701 -3.092 25573 150 1 . 1 1 38 38 ALA HA H 38 4.429 4.429 3.713 0.716 25573 151 1 . 1 1 38 38 ALA CA C 38 52.894 52.894 54.899 -2.005 25573 152 1 . 1 1 38 38 ALA CB C 38 16.399 16.399 18.569 -2.170 25573 153 1 . 1 1 38 38 ALA H H 38 8.332 8.332 7.987 0.345 25573 154 1 . 1 1 39 39 ILE N N 39 114.866 114.866 119.566 -4.699 25573 155 1 . 1 1 39 39 ILE HA H 39 4.364 4.364 3.582 0.782 25573 156 1 . 1 1 39 39 ILE CA C 39 55.584 55.584 65.517 -9.933 25573 157 1 . 1 1 39 39 ILE CB C 39 31.492 31.492 37.714 -6.222 25573 158 1 . 1 1 39 39 ILE H H 39 8.161 8.161 8.306 -0.145 25573 159 1 . 1 1 40 40 ARG N N 40 120.240 120.240 118.964 1.276 25573 160 1 . 1 1 40 40 ARG HA H 40 4.066 4.066 3.865 0.201 25573 161 1 . 1 1 40 40 ARG CA C 40 56.639 56.639 59.460 -2.821 25573 162 1 . 1 1 40 40 ARG CB C 40 29.809 29.809 29.940 -0.131 25573 163 1 . 1 1 40 40 ARG H H 40 8.446 8.446 8.251 0.195 25573 164 1 . 1 1 41 41 MET HA H 41 4.305 4.305 3.882 0.423 25573 165 1 . 1 1 41 41 MET CA C 41 53.585 53.585 58.439 -4.854 25573 166 1 . 1 1 41 41 MET CB C 41 29.902 29.902 31.910 -2.008 25573 167 1 . 1 1 42 42 ALA N N 42 122.782 122.782 120.872 1.910 25573 168 1 . 1 1 42 42 ALA HA H 42 4.548 4.548 3.945 0.603 25573 169 1 . 1 1 42 42 ALA CA C 42 52.276 52.276 54.935 -2.659 25573 170 1 . 1 1 42 42 ALA CB C 42 16.860 16.860 18.191 -1.331 25573 171 1 . 1 1 42 42 ALA H H 42 8.556 8.556 7.970 0.586 25573 172 1 . 1 1 43 43 ASN N N 43 119.366 119.366 116.899 2.467 25573 173 1 . 1 1 43 43 ASN HA H 43 4.694 4.694 4.452 0.242 25573 174 1 . 1 1 43 43 ASN CA C 43 50.337 50.337 56.014 -5.677 25573 175 1 . 1 1 43 43 ASN CB C 43 35.691 35.691 38.406 -2.715 25573 176 1 . 1 1 43 43 ASN H H 43 8.613 8.613 8.166 0.447 25573 177 1 . 1 1 44 44 VAL N N 44 118.466 118.466 119.346 -0.880 25573 178 1 . 1 1 44 44 VAL HA H 44 3.899 3.899 3.883 0.016 25573 179 1 . 1 1 44 44 VAL CA C 44 63.094 63.094 65.586 -2.492 25573 180 1 . 1 1 44 44 VAL CB C 44 28.921 28.921 31.770 -2.849 25573 181 1 . 1 1 44 44 VAL H H 44 8.464 8.464 7.736 0.728 25573 182 1 . 1 1 45 45 SER N N 45 113.763 113.763 115.318 -1.555 25573 183 1 . 1 1 45 45 SER HA H 45 4.328 4.328 4.126 0.202 25573 184 1 . 1 1 45 45 SER CA C 45 58.553 58.553 61.421 -2.868 25573 185 1 . 1 1 45 45 SER CB C 45 61.343 61.343 63.394 -2.051 25573 186 1 . 1 1 45 45 SER H H 45 7.963 7.963 8.151 -0.188 25573 187 1 . 1 1 46 46 THR N N 46 106.729 106.729 109.983 -3.254 25573 188 1 . 1 1 46 46 THR HA H 46 4.602 4.602 4.503 0.099 25573 189 1 . 1 1 46 46 THR CA C 46 58.026 58.026 61.323 -3.297 25573 190 1 . 1 1 46 46 THR CB C 46 67.285 67.285 69.269 -1.984 25573 191 1 . 1 1 46 46 THR H H 46 7.560 7.560 7.888 -0.328 25573 192 1 . 1 1 47 47 GLY N N 47 109.384 109.384 110.120 -0.736 25573 193 1 . 1 1 47 47 GLY CA C 47 43.809 43.809 45.557 -1.748 25573 194 1 . 1 1 47 47 GLY H H 47 7.539 7.539 7.758 -0.219 25573 195 1 . 1 1 48 48 ARG N N 48 120.563 120.563 120.361 0.202 25573 196 1 . 1 1 48 48 ARG HA H 48 4.353 4.353 4.105 0.248 25573 197 1 . 1 1 48 48 ARG CA C 48 52.339 52.339 56.645 -4.306 25573 198 1 . 1 1 48 48 ARG CB C 48 29.760 29.760 30.278 -0.518 25573 199 1 . 1 1 48 48 ARG H H 48 8.220 8.220 7.922 0.298 25573 200 1 . 1 1 49 49 GLU N N 49 122.874 122.874 118.593 4.281 25573 201 1 . 1 1 49 49 GLU HA H 49 4.322 4.322 4.274 0.047 25573 202 1 . 1 1 49 49 GLU CA C 49 54.134 54.134 55.851 -1.717 25573 203 1 . 1 1 49 49 GLU CB C 49 29.104 29.104 30.431 -1.327 25573 204 1 . 1 1 49 49 GLU H H 49 8.661 8.661 8.260 0.401 25573 205 1 . 1 1 50 50 PRO CA C 50 65.894 65.894 64.043 1.851 25573 206 1 . 1 1 51 51 GLY N N 51 102.859 102.859 108.606 -5.747 25573 207 1 . 1 1 51 51 GLY CA C 51 42.077 42.077 45.124 -3.047 25573 208 1 . 1 1 51 51 GLY H H 51 8.368 8.368 8.270 0.098 25573 209 1 . 1 1 52 52 ASP N N 52 120.491 120.491 121.823 -1.332 25573 210 1 . 1 1 52 52 ASP HA H 52 4.380 4.380 4.703 -0.323 25573 211 1 . 1 1 52 52 ASP CA C 52 51.681 51.681 53.954 -2.273 25573 212 1 . 1 1 52 52 ASP CB C 52 37.801 37.801 43.133 -5.332 25573 213 1 . 1 1 52 52 ASP H H 52 7.204 7.204 7.913 -0.709 25573 214 1 . 1 1 53 53 ILE N N 53 127.662 127.662 119.402 8.260 25573 215 1 . 1 1 53 53 ILE HA H 53 4.530 4.530 4.631 -0.101 25573 216 1 . 1 1 53 53 ILE CA C 53 54.127 54.127 58.415 -4.288 25573 217 1 . 1 1 53 53 ILE CB C 53 35.495 35.495 38.404 -2.909 25573 218 1 . 1 1 53 53 ILE H H 53 8.255 8.255 7.893 0.362 25573 219 1 . 1 1 54 54 PRO HA H 54 4.486 4.486 4.550 -0.064 25573 220 1 . 1 1 54 54 PRO CA C 54 60.119 60.119 62.811 -2.692 25573 221 1 . 1 1 54 54 PRO CB C 54 28.795 28.795 32.345 -3.550 25573 222 1 . 1 1 55 55 GLU N N 55 117.116 117.116 120.816 -3.700 25573 223 1 . 1 1 55 55 GLU HA H 55 4.506 4.506 4.402 0.104 25573 224 1 . 1 1 55 55 GLU CA C 55 54.283 54.283 56.386 -2.103 25573 225 1 . 1 1 55 55 GLU CB C 55 29.682 29.682 29.294 0.388 25573 226 1 . 1 1 55 55 GLU H H 55 8.580 8.580 8.661 -0.081 25573 227 1 . 1 1 56 56 THR N N 56 105.122 105.122 112.645 -7.523 25573 228 1 . 1 1 56 56 THR HA H 56 4.832 4.832 4.534 0.298 25573 229 1 . 1 1 56 56 THR CA C 56 55.381 55.381 60.808 -5.427 25573 230 1 . 1 1 56 56 THR CB C 56 70.771 70.771 71.099 -0.328 25573 231 1 . 1 1 56 56 THR H H 56 7.367 7.367 7.719 -0.352 25573 232 1 . 1 1 57 57 LEU N N 57 122.564 122.564 125.875 -3.311 25573 233 1 . 1 1 57 57 LEU HA H 57 4.432 4.432 4.028 0.404 25573 234 1 . 1 1 57 57 LEU CA C 57 55.409 55.409 57.708 -2.298 25573 235 1 . 1 1 57 57 LEU CB C 57 37.861 37.861 41.800 -3.939 25573 236 1 . 1 1 57 57 LEU H H 57 9.222 9.222 8.894 0.328 25573 237 1 . 1 1 58 58 ASP N N 58 119.366 119.366 118.600 0.766 25573 238 1 . 1 1 58 58 ASP CA C 58 58.280 58.280 57.585 0.695 25573 239 1 . 1 1 58 58 ASP CB C 58 37.357 37.357 40.395 -3.038 25573 240 1 . 1 1 58 58 ASP H H 58 8.570 8.570 8.419 0.151 25573 241 1 . 1 1 59 59 GLN N N 59 118.241 118.241 119.552 -1.311 25573 242 1 . 1 1 59 59 GLN HA H 59 4.032 4.032 4.084 -0.052 25573 243 1 . 1 1 59 59 GLN CA C 59 55.917 55.917 58.668 -2.751 25573 244 1 . 1 1 59 59 GLN CB C 59 26.074 26.074 28.771 -2.697 25573 245 1 . 1 1 59 59 GLN H H 59 7.823 7.823 7.664 0.159 25573 246 1 . 1 1 60 60 LEU N N 60 121.691 121.691 120.980 0.711 25573 247 1 . 1 1 60 60 LEU HA H 60 4.079 4.079 3.964 0.115 25573 248 1 . 1 1 60 60 LEU CA C 60 55.271 55.271 58.347 -3.076 25573 249 1 . 1 1 60 60 LEU CB C 60 47.637 47.637 41.810 5.827 25573 250 1 . 1 1 60 60 LEU H H 60 8.187 8.187 8.166 0.021 25573 251 1 . 1 1 61 61 ARG N N 61 117.960 117.960 119.161 -1.201 25573 252 1 . 1 1 61 61 ARG HA H 61 4.066 4.066 4.088 -0.022 25573 253 1 . 1 1 61 61 ARG CA C 61 56.182 56.182 59.457 -3.275 25573 254 1 . 1 1 61 61 ARG CB C 61 28.916 28.916 30.052 -1.136 25573 255 1 . 1 1 61 61 ARG H H 61 9.133 9.133 7.986 1.147 25573 256 1 . 1 1 62 62 LEU N N 62 118.408 118.408 120.032 -1.624 25573 257 1 . 1 1 62 62 LEU HA H 62 4.026 4.026 4.166 -0.140 25573 258 1 . 1 1 62 62 LEU CA C 62 56.080 56.080 57.439 -1.359 25573 259 1 . 1 1 62 62 LEU CB C 62 38.364 38.364 41.498 -3.134 25573 260 1 . 1 1 62 62 LEU H H 62 7.817 7.817 7.844 -0.027 25573 261 1 . 1 1 63 63 VAL N N 63 119.177 119.177 120.112 -0.935 25573 262 1 . 1 1 63 63 VAL HA H 63 3.537 3.537 3.581 -0.044 25573 263 1 . 1 1 63 63 VAL CA C 63 64.501 64.501 67.058 -2.558 25573 264 1 . 1 1 63 63 VAL CB C 63 28.884 28.884 31.376 -2.492 25573 265 1 . 1 1 63 63 VAL H H 63 7.368 7.368 7.822 -0.455 25573 266 1 . 1 1 64 64 ILE N N 64 119.068 119.068 120.288 -1.220 25573 267 1 . 1 1 64 64 ILE HA H 64 3.540 3.540 3.637 -0.097 25573 268 1 . 1 1 64 64 ILE CA C 64 64.481 64.481 65.402 -0.920 25573 269 1 . 1 1 64 64 ILE CB C 64 34.712 34.712 37.806 -3.094 25573 270 1 . 1 1 64 64 ILE H H 64 8.320 8.320 7.834 0.486 25573 271 1 . 1 1 65 65 CYS N N 65 119.131 119.131 118.842 0.289 25573 272 1 . 1 1 65 65 CYS HA H 65 4.330 4.330 4.049 0.281 25573 273 1 . 1 1 65 65 CYS CA C 65 60.908 60.908 63.536 -2.628 25573 274 1 . 1 1 65 65 CYS CB C 65 23.892 23.892 26.781 -2.889 25573 275 1 . 1 1 65 65 CYS H H 65 9.076 9.076 7.924 1.152 25573 276 1 . 1 1 66 66 ASP N N 66 120.537 120.537 120.897 -0.360 25573 277 1 . 1 1 66 66 ASP HA H 66 4.312 4.312 4.418 -0.106 25573 278 1 . 1 1 66 66 ASP CA C 66 57.764 57.764 57.325 0.439 25573 279 1 . 1 1 66 66 ASP CB C 66 38.185 38.185 40.767 -2.582 25573 280 1 . 1 1 66 66 ASP H H 66 8.512 8.512 8.143 0.369 25573 281 1 . 1 1 67 67 LEU N N 67 119.364 119.364 121.041 -1.677 25573 282 1 . 1 1 67 67 LEU HA H 67 3.970 3.970 3.966 0.004 25573 283 1 . 1 1 67 67 LEU CA C 67 56.986 56.986 58.167 -1.181 25573 284 1 . 1 1 67 67 LEU CB C 67 32.746 32.746 41.930 -9.184 25573 285 1 . 1 1 67 67 LEU H H 67 8.971 8.971 8.217 0.754 25573 286 1 . 1 1 69 69 GLU HA H 69 4.429 4.429 4.052 0.377 25573 287 1 . 1 1 69 69 GLU CA C 69 55.765 55.765 59.545 -3.780 25573 288 1 . 1 1 69 69 GLU CB C 69 29.801 29.801 29.506 0.295 25573 289 1 . 1 1 70 70 ARG N N 70 122.186 122.186 119.455 2.731 25573 290 1 . 1 1 70 70 ARG HA H 70 4.486 4.486 4.069 0.417 25573 291 1 . 1 1 70 70 ARG CA C 70 52.533 52.533 59.417 -6.884 25573 292 1 . 1 1 70 70 ARG CB C 70 30.341 30.341 30.231 0.110 25573 293 1 . 1 1 70 70 ARG H H 70 8.345 8.345 7.967 0.378 25573 294 1 . 1 1 71 71 ARG N N 71 121.616 121.616 118.426 3.190 25573 295 1 . 1 1 71 71 ARG HA H 71 2.624 2.624 4.079 -1.455 25573 296 1 . 1 1 71 71 ARG CA C 71 54.179 54.179 58.866 -4.687 25573 297 1 . 1 1 71 71 ARG CB C 71 30.007 30.007 29.555 0.452 25573 298 1 . 1 1 71 71 ARG H H 71 8.480 8.480 8.470 0.010 25573 299 1 . 1 1 73 73 LYS HA H 73 4.072 4.072 4.057 0.015 25573 300 1 . 1 1 73 73 LYS CA C 73 55.976 55.976 58.890 -2.914 25573 301 1 . 1 1 73 73 LYS CB C 73 30.752 30.752 32.425 -1.673 25573 302 1 . 1 1 74 74 PHE N N 74 115.001 115.001 117.389 -2.388 25573 303 1 . 1 1 74 74 PHE HA H 74 4.822 4.822 4.346 0.476 25573 304 1 . 1 1 74 74 PHE CA C 74 55.121 55.121 59.109 -3.988 25573 305 1 . 1 1 74 74 PHE CB C 74 37.587 37.587 40.595 -3.008 25573 306 1 . 1 1 74 74 PHE H H 74 8.530 8.530 7.764 0.766 25573 307 1 . 1 1 75 75 GLY N N 75 110.366 110.366 105.935 4.431 25573 308 1 . 1 1 75 75 GLY CA C 75 42.004 42.004 44.470 -2.466 25573 309 1 . 1 1 75 75 GLY H H 75 7.799 7.799 7.592 0.207 25573 310 1 . 1 1 76 76 SER N N 76 113.283 113.283 114.934 -1.651 25573 311 1 . 1 1 76 76 SER HA H 76 4.523 4.523 4.792 -0.269 25573 312 1 . 1 1 76 76 SER CA C 76 54.361 54.361 57.802 -3.441 25573 313 1 . 1 1 76 76 SER CB C 76 61.887 61.887 64.277 -2.390 25573 314 1 . 1 1 76 76 SER H H 76 8.417 8.417 8.383 0.034 25573 315 1 . 1 1 77 77 SER N N 77 114.950 114.950 118.480 -3.530 25573 316 1 . 1 1 77 77 SER HA H 77 4.535 4.535 4.754 -0.219 25573 317 1 . 1 1 77 77 SER CA C 77 53.833 53.833 57.241 -3.408 25573 318 1 . 1 1 77 77 SER CB C 77 63.488 63.488 65.311 -1.823 25573 319 1 . 1 1 77 77 SER H H 77 8.428 8.428 8.202 0.226 25573 320 1 . 1 1 78 78 LYS N N 78 122.032 122.032 124.216 -2.184 25573 321 1 . 1 1 78 78 LYS HA H 78 4.675 4.675 3.995 0.680 25573 322 1 . 1 1 78 78 LYS CA C 78 54.127 54.127 59.678 -5.551 25573 323 1 . 1 1 78 78 LYS CB C 78 29.235 29.235 32.321 -3.086 25573 324 1 . 1 1 78 78 LYS H H 78 9.044 9.044 8.919 0.125 25573 325 1 . 1 1 79 79 GLU N N 79 118.232 118.232 119.258 -1.026 25573 326 1 . 1 1 79 79 GLU HA H 79 4.292 4.292 4.220 0.072 25573 327 1 . 1 1 79 79 GLU CA C 79 58.104 58.104 59.593 -1.489 25573 328 1 . 1 1 79 79 GLU CB C 79 26.846 26.846 29.636 -2.790 25573 329 1 . 1 1 79 79 GLU H H 79 8.795 8.795 7.898 0.897 25573 330 1 . 1 1 80 80 ILE N N 80 120.491 120.491 120.754 -0.263 25573 331 1 . 1 1 80 80 ILE HA H 80 3.729 3.729 3.729 0.000 25573 332 1 . 1 1 80 80 ILE CA C 80 62.466 62.466 65.144 -2.678 25573 333 1 . 1 1 80 80 ILE CB C 80 36.109 36.109 37.599 -1.490 25573 334 1 . 1 1 80 80 ILE H H 80 7.892 7.892 7.917 -0.025 25573 335 1 . 1 1 81 81 ASP N N 81 120.491 120.491 119.985 0.506 25573 336 1 . 1 1 81 81 ASP HA H 81 4.306 4.306 4.344 -0.038 25573 337 1 . 1 1 81 81 ASP CA C 81 55.374 55.374 57.618 -2.244 25573 338 1 . 1 1 81 81 ASP CB C 81 37.376 37.376 40.697 -3.321 25573 339 1 . 1 1 81 81 ASP H H 81 8.424 8.424 8.466 -0.043 25573 340 1 . 1 1 82 82 MET N N 82 118.588 118.588 118.868 -0.280 25573 341 1 . 1 1 82 82 MET HA H 82 4.610 4.610 4.157 0.453 25573 342 1 . 1 1 82 82 MET CA C 82 54.472 54.472 59.093 -4.621 25573 343 1 . 1 1 82 82 MET CB C 82 29.557 29.557 32.587 -3.030 25573 344 1 . 1 1 82 82 MET H H 82 8.215 8.215 7.981 0.234 25573 345 1 . 1 1 83 83 ALA N N 83 127.525 127.525 123.419 4.106 25573 346 1 . 1 1 83 83 ALA HA H 83 4.099 4.099 4.189 -0.090 25573 347 1 . 1 1 83 83 ALA CA C 83 53.908 53.908 55.090 -1.182 25573 348 1 . 1 1 83 83 ALA CB C 83 14.810 14.810 18.285 -3.475 25573 349 1 . 1 1 83 83 ALA H H 83 10.165 10.165 7.900 2.265 25573 350 1 . 1 1 84 84 ILE N N 84 115.968 115.968 118.546 -2.578 25573 351 1 . 1 1 84 84 ILE HA H 84 3.534 3.534 3.676 -0.142 25573 352 1 . 1 1 84 84 ILE CA C 84 64.377 64.377 64.726 -0.349 25573 353 1 . 1 1 84 84 ILE CB C 84 35.417 35.417 37.561 -2.144 25573 354 1 . 1 1 84 84 ILE H H 84 8.437 8.437 7.776 0.661 25573 355 1 . 1 1 85 85 VAL N N 85 117.106 117.106 119.299 -2.193 25573 356 1 . 1 1 85 85 VAL HA H 85 4.045 4.045 3.584 0.461 25573 357 1 . 1 1 85 85 VAL CA C 85 55.925 55.925 66.978 -11.053 25573 358 1 . 1 1 85 85 VAL CB C 85 29.185 29.185 31.204 -2.019 25573 359 1 . 1 1 85 85 VAL H H 85 7.835 7.835 7.938 -0.103 25573 360 1 . 1 1 86 86 THR N N 86 116.673 116.673 114.740 1.933 25573 361 1 . 1 1 86 86 THR HA H 86 4.181 4.181 3.893 0.288 25573 362 1 . 1 1 86 86 THR CA C 86 59.627 59.627 66.193 -6.566 25573 363 1 . 1 1 86 86 THR CB C 86 65.856 65.856 68.525 -2.669 25573 364 1 . 1 1 86 86 THR H H 86 8.254 8.254 8.174 0.080 25573 365 1 . 1 1 87 87 LEU N N 87 121.447 121.447 121.856 -0.409 25573 366 1 . 1 1 87 87 LEU HA H 87 4.582 4.582 4.046 0.536 25573 367 1 . 1 1 87 87 LEU CA C 87 56.856 56.856 57.765 -0.909 25573 368 1 . 1 1 87 87 LEU CB C 87 31.825 31.825 41.496 -9.671 25573 369 1 . 1 1 87 87 LEU H H 87 7.913 7.913 7.915 -0.002 25573 370 1 . 1 1 88 88 LYS N N 88 119.505 119.505 119.903 -0.398 25573 371 1 . 1 1 88 88 LYS HA H 88 4.141 4.141 3.703 0.438 25573 372 1 . 1 1 88 88 LYS CA C 88 56.070 56.070 59.557 -3.487 25573 373 1 . 1 1 88 88 LYS CB C 88 29.887 29.887 32.298 -2.411 25573 374 1 . 1 1 88 88 LYS H H 88 7.970 7.970 7.599 0.371 25573 375 1 . 1 1 89 89 VAL N N 89 119.366 119.366 118.772 0.594 25573 376 1 . 1 1 89 89 VAL HA H 89 3.820 3.820 3.647 0.173 25573 377 1 . 1 1 89 89 VAL CA C 89 56.956 56.956 66.214 -9.258 25573 378 1 . 1 1 89 89 VAL H H 89 8.082 8.082 8.029 0.053 25573 379 1 . 1 1 90 90 PHE N N 90 119.366 119.366 120.620 -1.254 25573 380 1 . 1 1 90 90 PHE HA H 90 4.424 4.424 4.071 0.353 25573 381 1 . 1 1 90 90 PHE CA C 90 55.151 55.151 59.206 -4.055 25573 382 1 . 1 1 90 90 PHE CB C 90 35.630 35.630 38.341 -2.711 25573 383 1 . 1 1 90 90 PHE H H 90 8.104 8.104 8.397 -0.293 25573 384 1 . 1 1 91 91 ALA N N 91 118.916 118.916 121.783 -2.867 25573 385 1 . 1 1 91 91 ALA HA H 91 4.516 4.516 3.628 0.888 25573 386 1 . 1 1 91 91 ALA CA C 91 54.412 54.412 54.904 -0.492 25573 387 1 . 1 1 91 91 ALA CB C 91 15.890 15.890 18.073 -2.183 25573 388 1 . 1 1 91 91 ALA H H 91 8.187 8.187 7.420 0.767 25573 389 1 . 1 1 92 92 VAL N N 92 113.741 113.741 118.659 -4.918 25573 390 1 . 1 1 92 92 VAL HA H 92 3.587 3.587 3.661 -0.074 25573 391 1 . 1 1 92 92 VAL CA C 92 63.579 63.579 66.424 -2.845 25573 392 1 . 1 1 92 92 VAL CB C 92 30.792 30.792 31.418 -0.626 25573 393 1 . 1 1 92 92 VAL H H 92 8.196 8.196 8.091 0.104 25573 394 1 . 1 1 93 93 ALA N N 93 119.366 119.366 120.564 -1.198 25573 395 1 . 1 1 93 93 ALA HA H 93 4.694 4.694 4.225 0.469 25573 396 1 . 1 1 93 93 ALA CA C 93 50.281 50.281 54.601 -4.320 25573 397 1 . 1 1 93 93 ALA CB C 93 16.715 16.715 18.196 -1.481 25573 398 1 . 1 1 93 93 ALA H H 93 8.564 8.564 8.193 0.371 25573 399 1 . 1 1 94 94 GLY N N 94 104.958 104.958 106.889 -1.931 25573 400 1 . 1 1 94 94 GLY CA C 94 43.924 43.924 45.735 -1.811 25573 401 1 . 1 1 94 94 GLY H H 94 6.940 6.940 7.447 -0.507 25573 402 1 . 1 1 95 95 LEU N N 95 120.679 120.679 121.348 -0.669 25573 403 1 . 1 1 95 95 LEU HA H 95 4.005 4.005 4.027 -0.022 25573 404 1 . 1 1 95 95 LEU CA C 95 54.404 54.404 57.205 -2.801 25573 405 1 . 1 1 95 95 LEU CB C 95 38.225 38.225 41.583 -3.358 25573 406 1 . 1 1 95 95 LEU H H 95 7.724 7.724 7.679 0.045 25573 407 1 . 1 1 96 96 LEU N N 96 115.261 115.261 117.045 -1.784 25573 408 1 . 1 1 96 96 LEU HA H 96 4.275 4.275 4.319 -0.044 25573 409 1 . 1 1 96 96 LEU CA C 96 52.270 52.270 54.641 -2.371 25573 410 1 . 1 1 96 96 LEU CB C 96 38.686 38.686 41.863 -3.177 25573 411 1 . 1 1 96 96 LEU H H 96 7.723 7.723 7.715 0.008 25573 412 1 . 1 1 97 97 ASN N N 97 112.672 112.672 114.161 -1.489 25573 413 1 . 1 1 97 97 ASN HA H 97 4.241 4.241 4.456 -0.215 25573 414 1 . 1 1 97 97 ASN CA C 97 51.200 51.200 54.275 -3.075 25573 415 1 . 1 1 97 97 ASN CB C 97 34.445 34.445 37.015 -2.570 25573 416 1 . 1 1 97 97 ASN H H 97 6.694 6.694 7.411 -0.716 25573 417 1 . 1 1 98 98 MET N N 98 115.968 115.968 117.688 -1.720 25573 418 1 . 1 1 98 98 MET HA H 98 4.614 4.614 4.410 0.204 25573 419 1 . 1 1 98 98 MET CA C 98 51.685 51.685 56.197 -4.512 25573 420 1 . 1 1 98 98 MET CB C 98 29.808 29.808 33.206 -3.398 25573 421 1 . 1 1 98 98 MET H H 98 8.168 8.168 7.725 0.443 25573 422 1 . 1 1 99 99 THR N N 99 118.683 118.683 115.033 3.650 25573 423 1 . 1 1 99 99 THR HA H 99 4.184 4.184 4.442 -0.258 25573 424 1 . 1 1 99 99 THR CA C 99 59.813 59.813 61.281 -1.468 25573 425 1 . 1 1 99 99 THR CB C 99 65.438 65.438 68.411 -2.973 25573 426 1 . 1 1 99 99 THR H H 99 8.562 8.562 8.293 0.269 25573 427 1 . 1 1 100 100 VAL HA H 100 4.119 4.119 4.160 -0.041 25573 428 1 . 1 1 100 100 VAL CA C 100 56.702 56.702 62.006 -5.304 25573 429 1 . 1 1 100 100 VAL H H 100 8.392 8.392 7.755 0.637 25573 430 1 . 1 1 101 101 SER N N 101 121.736 121.736 117.792 3.944 25573 431 1 . 1 1 101 101 SER HA H 101 4.645 4.645 4.775 -0.130 25573 432 1 . 1 1 101 101 SER CA C 101 56.852 56.852 58.711 -1.858 25573 433 1 . 1 1 101 101 SER CB C 101 61.739 61.739 63.764 -2.025 25573 434 1 . 1 1 101 101 SER H H 101 8.079 8.079 8.715 -0.636 25573 435 1 . 1 1 102 102 THR N N 102 110.147 110.147 110.288 -0.141 25573 436 1 . 1 1 102 102 THR HA H 102 5.450 5.450 4.892 0.558 25573 437 1 . 1 1 102 102 THR CA C 102 56.522 56.522 60.284 -3.762 25573 438 1 . 1 1 102 102 THR CB C 102 71.007 71.007 71.550 -0.543 25573 439 1 . 1 1 102 102 THR H H 102 7.276 7.276 7.377 -0.101 25573 440 1 . 1 1 103 103 ALA N N 103 124.013 124.013 127.686 -3.673 25573 441 1 . 1 1 103 103 ALA HA H 103 3.954 3.954 4.033 -0.079 25573 442 1 . 1 1 103 103 ALA CA C 103 52.278 52.278 55.588 -3.310 25573 443 1 . 1 1 103 103 ALA CB C 103 15.684 15.684 18.688 -3.004 25573 444 1 . 1 1 103 103 ALA H H 103 8.433 8.433 8.523 -0.090 25573 445 1 . 1 1 104 104 ALA N N 104 119.649 119.649 120.519 -0.870 25573 446 1 . 1 1 104 104 ALA HA H 104 4.286 4.286 4.056 0.230 25573 447 1 . 1 1 104 104 ALA CA C 104 52.302 52.302 54.569 -2.267 25573 448 1 . 1 1 104 104 ALA CB C 104 16.520 16.520 18.218 -1.699 25573 449 1 . 1 1 104 104 ALA H H 104 8.474 8.474 8.250 0.225 25573 450 1 . 1 1 105 105 ALA N N 105 120.587 120.587 121.059 -0.473 25573 451 1 . 1 1 105 105 ALA HA H 105 4.264 4.264 4.005 0.259 25573 452 1 . 1 1 105 105 ALA CA C 105 52.198 52.198 54.879 -2.681 25573 453 1 . 1 1 105 105 ALA CB C 105 15.745 15.745 18.355 -2.610 25573 454 1 . 1 1 105 105 ALA H H 105 8.050 8.050 7.735 0.315 25573 455 1 . 1 1 106 106 ALA N N 106 121.752 121.752 121.418 0.334 25573 456 1 . 1 1 106 106 ALA HA H 106 3.267 3.267 3.945 -0.678 25573 457 1 . 1 1 106 106 ALA CA C 106 51.511 51.511 55.304 -3.793 25573 458 1 . 1 1 106 106 ALA CB C 106 16.048 16.048 18.221 -2.173 25573 459 1 . 1 1 106 106 ALA H H 106 8.071 8.071 7.871 0.200 25573 460 1 . 1 1 107 107 GLU N N 107 119.133 119.133 118.909 0.224 25573 461 1 . 1 1 107 107 GLU HA H 107 3.859 3.859 3.976 -0.117 25573 462 1 . 1 1 107 107 GLU CA C 107 57.335 57.335 59.577 -2.242 25573 463 1 . 1 1 107 107 GLU CB C 107 27.109 27.109 29.541 -2.432 25573 464 1 . 1 1 107 107 GLU H H 107 8.711 8.711 7.976 0.735 25573 465 1 . 1 1 108 108 ASN N N 108 118.306 118.306 118.610 -0.304 25573 466 1 . 1 1 108 108 ASN HA H 108 4.601 4.601 4.489 0.112 25573 467 1 . 1 1 108 108 ASN CA C 108 53.971 53.971 56.282 -2.311 25573 468 1 . 1 1 108 108 ASN CB C 108 35.452 35.452 38.478 -3.026 25573 469 1 . 1 1 108 108 ASN H H 108 8.045 8.045 8.227 -0.182 25573 470 1 . 1 1 109 109 MET N N 109 120.038 120.038 120.104 -0.066 25573 471 1 . 1 1 109 109 MET HA H 109 4.305 4.305 4.236 0.069 25573 472 1 . 1 1 109 109 MET CA C 109 55.602 55.602 58.074 -2.472 25573 473 1 . 1 1 109 109 MET CB C 109 29.771 29.771 32.241 -2.470 25573 474 1 . 1 1 109 109 MET H H 109 8.401 8.401 8.004 0.397 25573 475 1 . 1 1 110 110 TYR N N 110 121.616 121.616 120.312 1.304 25573 476 1 . 1 1 110 110 TYR HA H 110 3.663 3.663 4.083 -0.420 25573 477 1 . 1 1 110 110 TYR CA C 110 58.925 58.925 61.835 -2.910 25573 478 1 . 1 1 110 110 TYR CB C 110 35.926 35.926 38.309 -2.383 25573 479 1 . 1 1 110 110 TYR H H 110 8.651 8.651 8.588 0.064 25573 480 1 . 1 1 111 111 SER N N 111 110.621 110.621 113.801 -3.180 25573 481 1 . 1 1 111 111 SER HA H 111 4.540 4.540 4.188 0.352 25573 482 1 . 1 1 111 111 SER CA C 111 58.395 58.395 60.992 -2.597 25573 483 1 . 1 1 111 111 SER CB C 111 60.600 60.600 63.217 -2.617 25573 484 1 . 1 1 111 111 SER H H 111 7.394 7.394 8.099 -0.705 25573 485 1 . 1 1 112 112 GLN N N 112 125.643 125.643 121.668 3.975 25573 486 1 . 1 1 112 112 GLN HA H 112 4.059 4.059 4.052 0.007 25573 487 1 . 1 1 112 112 GLN CA C 112 56.083 56.083 58.422 -2.339 25573 488 1 . 1 1 112 112 GLN CB C 112 25.645 25.645 28.771 -3.126 25573 489 1 . 1 1 112 112 GLN H H 112 8.774 8.774 8.127 0.647 25573 490 1 . 1 1 113 113 MET N N 113 114.866 114.866 116.374 -1.508 25573 491 1 . 1 1 113 113 MET HA H 113 4.275 4.275 4.400 -0.125 25573 492 1 . 1 1 113 113 MET CA C 113 53.246 53.246 55.977 -2.731 25573 493 1 . 1 1 113 113 MET CB C 113 31.365 31.365 33.526 -2.161 25573 494 1 . 1 1 113 113 MET H H 113 8.070 8.070 7.905 0.165 25573 495 1 . 1 1 114 114 GLY N N 114 107.252 107.252 106.266 0.986 25573 496 1 . 1 1 114 114 GLY CA C 114 42.960 42.960 45.272 -2.312 25573 497 1 . 1 1 114 114 GLY H H 114 8.012 8.012 7.693 0.319 25573 498 1 . 1 1 115 115 LEU N N 115 114.939 114.939 117.898 -2.959 25573 499 1 . 1 1 115 115 LEU HA H 115 3.875 3.875 4.195 -0.320 25573 500 1 . 1 1 115 115 LEU CA C 115 53.209 53.209 54.948 -1.739 25573 501 1 . 1 1 115 115 LEU CB C 115 35.458 35.458 41.688 -6.230 25573 502 1 . 1 1 115 115 LEU H H 115 7.447 7.447 7.836 -0.389 25573 503 1 . 1 1 116 116 ASP N N 116 116.423 116.423 118.363 -1.940 25573 504 1 . 1 1 116 116 ASP HA H 116 4.670 4.670 4.697 -0.027 25573 505 1 . 1 1 116 116 ASP CA C 116 52.303 52.303 54.440 -2.137 25573 506 1 . 1 1 116 116 ASP CB C 116 37.319 37.319 42.667 -5.348 25573 507 1 . 1 1 116 116 ASP H H 116 8.518 8.518 7.566 0.952 25573 508 1 . 1 1 117 117 THR N N 117 113.582 113.582 113.446 0.136 25573 509 1 . 1 1 117 117 THR HA H 117 4.194 4.194 4.394 -0.200 25573 510 1 . 1 1 117 117 THR CA C 117 58.925 58.925 62.242 -3.317 25573 511 1 . 1 1 117 117 THR CB C 117 67.320 67.320 69.454 -2.134 25573 512 1 . 1 1 117 117 THR H H 117 7.240 7.240 8.290 -1.050 25573 513 1 . 1 1 118 118 ARG N N 118 126.068 126.068 122.066 4.002 25573 514 1 . 1 1 118 118 ARG HA H 118 4.566 4.566 4.581 -0.015 25573 515 1 . 1 1 118 118 ARG CA C 118 52.343 52.343 54.502 -2.159 25573 516 1 . 1 1 118 118 ARG CB C 118 33.708 33.708 30.666 3.042 25573 517 1 . 1 1 118 118 ARG H H 118 8.711 8.711 8.226 0.485 25573 518 1 . 1 1 119 119 PRO HA H 119 2.078 2.078 4.582 -2.504 25573 519 1 . 1 1 119 119 PRO CA C 119 60.043 60.043 62.979 -2.936 25573 520 1 . 1 1 120 120 SER N N 120 116.251 116.251 117.587 -1.336 25573 521 1 . 1 1 120 120 SER HA H 120 4.385 4.385 4.636 -0.251 25573 522 1 . 1 1 120 120 SER CA C 120 55.352 55.352 58.111 -2.759 25573 523 1 . 1 1 120 120 SER CB C 120 61.037 61.037 64.361 -3.324 25573 524 1 . 1 1 120 120 SER H H 120 8.385 8.385 8.315 0.070 25573 525 1 . 1 1 121 121 MET N N 121 123.171 123.171 121.868 1.303 25573 526 1 . 1 1 121 121 MET HA H 121 4.289 4.289 4.578 -0.289 25573 527 1 . 1 1 121 121 MET CA C 121 53.282 53.282 55.659 -2.377 25573 528 1 . 1 1 121 121 MET CB C 121 30.755 30.755 33.440 -2.685 25573 529 1 . 1 1 121 121 MET H H 121 8.297 8.297 8.348 -0.051 25573 530 1 . 1 1 122 122 LYS HA H 122 4.258 4.258 4.386 -0.129 25573 531 1 . 1 1 122 122 LYS CA C 122 53.669 53.669 56.580 -2.911 25573 532 1 . 1 1 123 123 GLU N N 123 122.135 122.135 120.390 1.745 25573 533 1 . 1 1 123 123 GLU CA C 123 47.903 47.903 56.347 -8.444 25573 534 1 . 1 1 123 123 GLU CB C 123 30.404 30.404 30.404 0.000 25573 535 1 . 1 1 123 123 GLU H H 123 8.505 8.505 8.425 0.080 25573 536 1 . 1 1 124 124 ALA N N 124 125.340 125.340 123.536 1.804 25573 537 1 . 1 1 124 124 ALA HA H 124 4.331 4.331 4.570 -0.239 25573 538 1 . 1 1 124 124 ALA CA C 124 49.833 49.833 52.093 -2.260 25573 539 1 . 1 1 124 124 ALA CB C 124 16.665 16.665 19.981 -3.316 25573 540 1 . 1 1 124 124 ALA H H 124 8.422 8.422 8.253 0.169 25573 541 1 . 1 1 125 125 GLY N N 125 108.426 108.426 108.626 -0.200 25573 542 1 . 1 1 125 125 GLY CA C 125 42.741 42.741 45.122 -2.381 25573 543 1 . 1 1 125 125 GLY H H 125 8.401 8.401 8.663 -0.262 25573 544 1 . 1 1 126 126 GLY N N 126 109.792 109.792 108.724 1.067 25573 545 1 . 1 1 126 126 GLY CA C 126 42.247 42.247 44.777 -2.530 25573 546 1 . 1 1 126 126 GLY H H 126 8.515 8.515 8.096 0.419 25573 547 1 . 1 1 127 127 LYS N N 127 120.366 120.366 121.320 -0.954 25573 548 1 . 1 1 127 127 LYS HA H 127 4.321 4.321 4.447 -0.126 25573 549 1 . 1 1 127 127 LYS CA C 127 53.544 53.544 56.159 -2.615 25573 550 1 . 1 1 127 127 LYS CB C 127 30.352 30.352 33.048 -2.696 25573 551 1 . 1 1 127 127 LYS H H 127 8.244 8.244 8.283 -0.039 25573 552 1 . 1 1 128 128 GLU N N 128 122.270 122.270 122.279 -0.009 25573 553 1 . 1 1 128 128 GLU CA C 128 56.044 56.044 56.455 -0.411 25573 554 1 . 1 1 128 128 GLU H H 128 8.559 8.559 8.461 0.098 25573 555 1 . 1 1 129 129 GLU N N 129 122.282 122.282 121.501 0.781 25573 556 1 . 1 1 129 129 GLU CA C 129 56.536 56.536 56.202 0.334 25573 557 1 . 1 1 129 129 GLU CB C 129 30.189 30.189 30.700 -0.511 25573 558 1 . 1 1 129 129 GLU H H 129 8.027 8.027 8.414 -0.387 25573 559 1 . 1 1 130 130 GLY N N 130 110.258 110.258 111.085 -0.827 25573 560 1 . 1 1 130 130 GLY CA C 130 41.661 41.661 44.448 -2.787 25573 561 1 . 1 1 130 130 GLY H H 130 10.190 10.190 8.368 1.822 25573 562 1 . 1 1 132 132 PRO HA H 132 4.379 4.379 4.438 -0.059 25573 563 1 . 1 1 132 132 PRO CA C 132 60.469 60.469 63.284 -2.815 25573 564 1 . 1 1 132 132 PRO CB C 132 29.231 29.231 32.238 -3.007 25573 565 1 . 1 1 133 133 GLN N N 133 119.932 119.932 119.169 0.763 25573 566 1 . 1 1 133 133 GLN HA H 133 4.319 4.319 4.374 -0.055 25573 567 1 . 1 1 133 133 GLN CA C 133 53.249 53.249 55.694 -2.445 25573 568 1 . 1 1 133 133 GLN CB C 133 29.655 29.655 29.469 0.186 25573 569 1 . 1 1 133 133 GLN H H 133 8.478 8.478 8.425 0.053 25573 570 1 . 1 1 134 134 ALA N N 134 124.828 124.828 124.628 0.200 25573 571 1 . 1 1 134 134 ALA HA H 134 4.249 4.249 4.424 -0.175 25573 572 1 . 1 1 134 134 ALA CA C 134 49.692 49.692 52.298 -2.605 25573 573 1 . 1 1 134 134 ALA CB C 134 16.024 16.024 19.284 -3.260 25573 574 1 . 1 1 134 134 ALA H H 134 8.263 8.263 8.408 -0.145 25573 stop_ save_