data_17825 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17825 _Entry.PDB_ID 2LGW 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 17825 _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 SER N N 3 115.996 115.996 112.602 3.394 17825 2 1 1 . 1 1 3 3 SER HA H 3 4.428 4.428 4.269 0.159 17825 3 1 1 . 1 1 3 3 SER CA C 3 56.636 56.636 59.232 -2.596 17825 4 1 1 . 1 1 3 3 SER CB C 3 64.556 64.556 62.666 1.890 17825 5 1 1 . 1 1 3 3 SER H H 3 8.840 8.840 8.183 0.657 17825 6 1 1 . 1 1 4 4 TYR N N 4 119.562 119.562 121.563 -2.001 17825 7 1 1 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.170 0.300 17825 8 1 1 . 1 1 4 4 TYR CA C 4 57.964 57.964 61.066 -3.102 17825 9 1 1 . 1 1 4 4 TYR CB C 4 37.204 37.204 38.038 -0.834 17825 10 1 1 . 1 1 4 4 TYR H H 4 8.255 8.255 8.239 0.016 17825 11 1 1 . 1 1 5 5 TYR N N 5 114.704 114.704 118.900 -4.196 17825 12 1 1 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.232 -0.290 17825 13 1 1 . 1 1 5 5 TYR CA C 5 61.713 61.713 60.636 1.077 17825 14 1 1 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.192 -1.209 17825 15 1 1 . 1 1 5 5 TYR H H 5 7.137 7.137 8.325 -1.188 17825 16 1 1 . 1 1 6 6 GLU N N 6 119.884 119.884 116.822 3.062 17825 17 1 1 . 1 1 6 6 GLU HA H 6 4.260 4.260 3.974 0.286 17825 18 1 1 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.106 0.373 17825 19 1 1 . 1 1 6 6 GLU CB C 6 29.656 29.656 30.198 -0.542 17825 20 1 1 . 1 1 6 6 GLU H H 6 7.622 7.622 7.766 -0.144 17825 21 1 1 . 1 1 7 7 ILE N N 7 120.890 120.890 114.866 6.024 17825 22 1 1 . 1 1 7 7 ILE HA H 7 3.740 3.740 4.010 -0.270 17825 23 1 1 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.449 0.437 17825 24 1 1 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.379 -0.353 17825 25 1 1 . 1 1 7 7 ILE H H 7 8.174 8.174 7.783 0.391 17825 26 1 1 . 1 1 8 8 LEU N N 8 115.091 115.091 119.678 -4.587 17825 27 1 1 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.399 -0.123 17825 28 1 1 . 1 1 8 8 LEU CA C 8 54.662 54.662 55.569 -0.907 17825 29 1 1 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.226 -1.360 17825 30 1 1 . 1 1 8 8 LEU H H 8 7.039 7.039 7.668 -0.629 17825 31 1 1 . 1 1 9 9 ASP N N 9 119.283 119.283 114.256 5.027 17825 32 1 1 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.589 -0.281 17825 33 1 1 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.342 -0.027 17825 34 1 1 . 1 1 9 9 ASP CB C 9 39.506 39.506 43.051 -3.545 17825 35 1 1 . 1 1 9 9 ASP H H 9 7.997 7.997 8.214 -0.217 17825 36 1 1 . 1 1 10 10 VAL N N 10 111.344 111.344 114.827 -3.483 17825 37 1 1 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.579 0.377 17825 38 1 1 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.383 -1.597 17825 39 1 1 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.036 0.630 17825 40 1 1 . 1 1 10 10 VAL H H 10 8.115 8.115 7.122 0.993 17825 41 1 1 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.703 -0.985 17825 42 1 1 . 1 1 12 12 ARG N N 12 118.354 118.354 121.936 -3.582 17825 43 1 1 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.563 -0.035 17825 44 1 1 . 1 1 12 12 ARG CA C 12 57.646 57.646 57.110 0.536 17825 45 1 1 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.339 -0.093 17825 46 1 1 . 1 1 12 12 ARG H H 12 8.291 8.291 8.719 -0.428 17825 47 1 1 . 1 1 13 13 SER N N 13 107.420 107.420 119.880 -12.460 17825 48 1 1 . 1 1 13 13 SER HA H 13 4.285 4.285 4.453 -0.168 17825 49 1 1 . 1 1 13 13 SER CA C 13 56.468 56.468 58.966 -2.498 17825 50 1 1 . 1 1 13 13 SER CB C 13 62.713 62.713 64.063 -1.350 17825 51 1 1 . 1 1 13 13 SER H H 13 7.181 7.181 8.825 -1.644 17825 52 1 1 . 1 1 14 14 ALA N N 14 124.202 124.202 126.358 -2.156 17825 53 1 1 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.519 -0.193 17825 54 1 1 . 1 1 14 14 ALA CA C 14 52.570 52.570 52.159 0.411 17825 55 1 1 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.648 0.664 17825 56 1 1 . 1 1 14 14 ALA H H 14 7.631 7.631 7.706 -0.075 17825 57 1 1 . 1 1 15 15 SER N N 15 118.770 118.770 116.982 1.788 17825 58 1 1 . 1 1 15 15 SER HA H 15 4.675 4.675 4.362 0.313 17825 59 1 1 . 1 1 15 15 SER CA C 15 56.381 56.381 57.202 -0.821 17825 60 1 1 . 1 1 15 15 SER CB C 15 65.323 65.323 64.205 1.118 17825 61 1 1 . 1 1 15 15 SER H H 15 9.295 9.295 8.446 0.849 17825 62 1 1 . 1 1 16 16 ALA N N 16 122.893 122.893 125.587 -2.694 17825 63 1 1 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.030 0.114 17825 64 1 1 . 1 1 16 16 ALA CA C 16 55.293 55.293 54.841 0.452 17825 65 1 1 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.884 -0.579 17825 66 1 1 . 1 1 16 16 ALA H H 16 9.025 9.025 8.791 0.234 17825 67 1 1 . 1 1 17 17 ASP N N 17 118.305 118.305 118.059 0.246 17825 68 1 1 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.283 0.222 17825 69 1 1 . 1 1 17 17 ASP CA C 17 57.169 57.169 58.430 -1.261 17825 70 1 1 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.557 0.165 17825 71 1 1 . 1 1 17 17 ASP H H 17 8.403 8.403 7.942 0.461 17825 72 1 1 . 1 1 18 18 ASP N N 18 121.474 121.474 120.015 1.459 17825 73 1 1 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.507 -0.098 17825 74 1 1 . 1 1 18 18 ASP CA C 18 57.080 57.080 56.972 0.108 17825 75 1 1 . 1 1 18 18 ASP CB C 18 40.199 40.199 41.054 -0.855 17825 76 1 1 . 1 1 18 18 ASP H H 18 8.062 8.062 7.865 0.197 17825 77 1 1 . 1 1 19 19 ILE N N 19 122.227 122.227 121.421 0.806 17825 78 1 1 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.913 -0.260 17825 79 1 1 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.742 0.447 17825 80 1 1 . 1 1 19 19 ILE CB C 19 37.809 37.809 37.992 -0.183 17825 81 1 1 . 1 1 19 19 ILE H H 19 8.181 8.181 7.616 0.565 17825 82 1 1 . 1 1 20 20 LYS N N 20 120.936 120.936 119.981 0.955 17825 83 1 1 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.816 0.385 17825 84 1 1 . 1 1 20 20 LYS CA C 20 60.395 60.395 60.051 0.344 17825 85 1 1 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.349 0.090 17825 86 1 1 . 1 1 20 20 LYS H H 20 8.035 8.035 8.049 -0.014 17825 87 1 1 . 1 1 21 21 LYS N N 21 118.610 118.610 119.425 -0.815 17825 88 1 1 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.139 -0.172 17825 89 1 1 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.573 1.133 17825 90 1 1 . 1 1 21 21 LYS CB C 21 32.578 32.578 32.302 0.276 17825 91 1 1 . 1 1 21 21 LYS H H 21 8.204 8.204 7.783 0.421 17825 92 1 1 . 1 1 22 22 ALA N N 22 122.873 122.873 122.387 0.486 17825 93 1 1 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.127 0.048 17825 94 1 1 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.085 -0.290 17825 95 1 1 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.242 1.560 17825 96 1 1 . 1 1 22 22 ALA H H 22 8.091 8.091 8.719 -0.628 17825 97 1 1 . 1 1 23 23 TYR N N 23 118.422 118.422 120.208 -1.786 17825 98 1 1 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.052 -0.103 17825 99 1 1 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.449 -0.999 17825 100 1 1 . 1 1 23 23 TYR CB C 23 38.541 38.541 38.065 0.476 17825 101 1 1 . 1 1 23 23 TYR H H 23 8.527 8.527 7.881 0.646 17825 102 1 1 . 1 1 24 24 ARG N N 24 117.379 117.379 118.862 -1.483 17825 103 1 1 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.505 -0.043 17825 104 1 1 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.794 -0.872 17825 105 1 1 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.081 -0.535 17825 106 1 1 . 1 1 24 24 ARG H H 24 7.878 7.878 8.032 -0.154 17825 107 1 1 . 1 1 25 25 ARG N N 25 117.097 117.097 118.977 -1.880 17825 108 1 1 . 1 1 25 25 ARG HA H 25 4.046 4.046 4.028 0.018 17825 109 1 1 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.210 0.175 17825 110 1 1 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.730 0.702 17825 111 1 1 . 1 1 25 25 ARG H H 25 7.612 7.612 8.660 -1.048 17825 112 1 1 . 1 1 26 26 LYS N N 26 120.499 120.499 120.363 0.136 17825 113 1 1 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.194 0.013 17825 114 1 1 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.243 -2.081 17825 115 1 1 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.531 0.584 17825 116 1 1 . 1 1 26 26 LYS H H 26 8.460 8.460 7.905 0.555 17825 117 1 1 . 1 1 27 27 ALA N N 27 122.515 122.515 122.917 -0.402 17825 118 1 1 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.289 -0.324 17825 119 1 1 . 1 1 27 27 ALA CA C 27 54.642 54.642 55.199 -0.557 17825 120 1 1 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.465 -1.168 17825 121 1 1 . 1 1 27 27 ALA H H 27 9.009 9.009 8.063 0.946 17825 122 1 1 . 1 1 28 28 LEU N N 28 116.108 116.108 118.268 -2.160 17825 123 1 1 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.068 0.072 17825 124 1 1 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.746 -0.930 17825 125 1 1 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.738 0.117 17825 126 1 1 . 1 1 28 28 LEU H H 28 7.149 7.149 7.925 -0.776 17825 127 1 1 . 1 1 29 29 GLN N N 29 118.295 118.295 119.665 -1.370 17825 128 1 1 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.885 -0.159 17825 129 1 1 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.911 -0.717 17825 130 1 1 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.949 -0.817 17825 131 1 1 . 1 1 29 29 GLN H H 29 7.552 7.552 7.941 -0.389 17825 132 1 1 . 1 1 30 30 TRP N N 30 114.410 114.410 115.486 -1.076 17825 133 1 1 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.791 0.320 17825 134 1 1 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.350 -1.037 17825 135 1 1 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.898 0.140 17825 136 1 1 . 1 1 30 30 TRP H H 30 7.713 7.713 7.900 -0.187 17825 137 1 1 . 1 1 31 31 HIS N N 31 121.533 121.533 121.517 0.016 17825 138 1 1 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.540 -0.574 17825 139 1 1 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.947 -0.335 17825 140 1 1 . 1 1 31 31 HIS CB C 31 31.108 31.108 31.965 -0.857 17825 141 1 1 . 1 1 31 31 HIS H H 31 7.299 7.299 7.385 -0.086 17825 142 1 1 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.454 -0.362 17825 143 1 1 . 1 1 33 33 ASP N N 33 120.057 120.057 117.785 2.272 17825 144 1 1 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.477 -0.006 17825 145 1 1 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.297 0.237 17825 146 1 1 . 1 1 33 33 ASP CB C 33 39.831 39.831 39.974 -0.143 17825 147 1 1 . 1 1 33 33 ASP H H 33 10.765 10.765 8.639 2.126 17825 148 1 1 . 1 1 34 34 LYS N N 34 116.570 116.570 118.469 -1.899 17825 149 1 1 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.442 0.006 17825 150 1 1 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.761 -0.683 17825 151 1 1 . 1 1 34 34 LYS CB C 34 32.455 32.455 33.773 -1.318 17825 152 1 1 . 1 1 34 34 LYS H H 34 7.842 7.842 8.156 -0.314 17825 153 1 1 . 1 1 35 35 ASN N N 35 118.970 118.970 119.362 -0.392 17825 154 1 1 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.875 0.416 17825 155 1 1 . 1 1 35 35 ASN CA C 35 52.021 52.021 51.205 0.816 17825 156 1 1 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.182 3.015 17825 157 1 1 . 1 1 35 35 ASN H H 35 7.588 7.588 7.516 0.072 17825 158 1 1 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.616 -0.265 17825 159 1 1 . 1 1 37 37 ASP N N 37 116.874 116.874 116.375 0.499 17825 160 1 1 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.654 0.123 17825 161 1 1 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.916 -0.879 17825 162 1 1 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.127 -0.315 17825 163 1 1 . 1 1 37 37 ASP H H 37 8.521 8.521 8.456 0.065 17825 164 1 1 . 1 1 38 38 ASN N N 38 120.484 120.484 118.442 2.042 17825 165 1 1 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.954 0.154 17825 166 1 1 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.267 -1.486 17825 167 1 1 . 1 1 38 38 ASN CB C 38 38.694 38.694 39.098 -0.404 17825 168 1 1 . 1 1 38 38 ASN H H 38 7.901 7.901 8.268 -0.367 17825 169 1 1 . 1 1 39 39 LYS N N 39 121.973 121.973 123.168 -1.195 17825 170 1 1 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.390 -0.371 17825 171 1 1 . 1 1 39 39 LYS CA C 39 60.723 60.723 58.296 2.427 17825 172 1 1 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.938 0.333 17825 173 1 1 . 1 1 39 39 LYS H H 39 8.362 8.362 8.556 -0.194 17825 174 1 1 . 1 1 40 40 GLU N N 40 119.447 119.447 122.027 -2.580 17825 175 1 1 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.006 0.099 17825 176 1 1 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.378 0.434 17825 177 1 1 . 1 1 40 40 GLU CB C 40 28.577 28.577 28.876 -0.299 17825 178 1 1 . 1 1 40 40 GLU H H 40 8.746 8.746 8.616 0.130 17825 179 1 1 . 1 1 41 41 PHE N N 41 121.498 121.498 116.599 4.899 17825 180 1 1 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.073 0.098 17825 181 1 1 . 1 1 41 41 PHE CA C 41 60.572 60.572 61.015 -0.443 17825 182 1 1 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.066 1.434 17825 183 1 1 . 1 1 41 41 PHE H H 41 8.273 8.273 8.101 0.172 17825 184 1 1 . 1 1 42 42 ALA N N 42 120.231 120.231 122.016 -1.785 17825 185 1 1 . 1 1 42 42 ALA HA H 42 4.111 4.111 4.246 -0.135 17825 186 1 1 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.372 -0.296 17825 187 1 1 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.734 -0.618 17825 188 1 1 . 1 1 42 42 ALA H H 42 8.238 8.238 8.276 -0.038 17825 189 1 1 . 1 1 43 43 GLU N N 43 117.279 117.279 118.239 -0.960 17825 190 1 1 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.035 0.007 17825 191 1 1 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.982 0.770 17825 192 1 1 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.186 0.080 17825 193 1 1 . 1 1 43 43 GLU H H 43 8.523 8.523 8.604 -0.081 17825 194 1 1 . 1 1 44 44 LYS N N 44 119.444 119.444 120.723 -1.279 17825 195 1 1 . 1 1 44 44 LYS HA H 44 3.951 3.951 3.910 0.041 17825 196 1 1 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.681 -0.231 17825 197 1 1 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.231 -0.625 17825 198 1 1 . 1 1 44 44 LYS H H 44 7.356 7.356 8.243 -0.887 17825 199 1 1 . 1 1 45 45 LYS N N 45 119.401 119.401 118.465 0.936 17825 200 1 1 . 1 1 45 45 LYS HA H 45 3.600 3.600 3.947 -0.347 17825 201 1 1 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.172 -1.899 17825 202 1 1 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.170 -1.788 17825 203 1 1 . 1 1 45 45 LYS H H 45 7.584 7.584 7.863 -0.279 17825 204 1 1 . 1 1 46 46 PHE N N 46 121.408 121.408 121.626 -0.218 17825 205 1 1 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.192 -0.261 17825 206 1 1 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.570 -0.008 17825 207 1 1 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.028 -0.012 17825 208 1 1 . 1 1 46 46 PHE H H 46 9.323 9.323 8.225 1.098 17825 209 1 1 . 1 1 47 47 LYS N N 47 119.512 119.512 118.801 0.711 17825 210 1 1 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.847 0.066 17825 211 1 1 . 1 1 47 47 LYS CA C 47 59.350 59.350 60.054 -0.705 17825 212 1 1 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.482 -0.597 17825 213 1 1 . 1 1 47 47 LYS H H 47 8.147 8.147 8.532 -0.385 17825 214 1 1 . 1 1 48 48 GLU N N 48 119.665 119.665 119.395 0.270 17825 215 1 1 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.265 -0.167 17825 216 1 1 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.054 -0.061 17825 217 1 1 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.426 0.162 17825 218 1 1 . 1 1 48 48 GLU H H 48 7.540 7.540 8.180 -0.640 17825 219 1 1 . 1 1 49 49 VAL N N 49 120.333 120.333 121.348 -1.015 17825 220 1 1 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.776 -0.310 17825 221 1 1 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.749 -0.129 17825 222 1 1 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.909 -0.118 17825 223 1 1 . 1 1 49 49 VAL H H 49 7.727 7.727 8.219 -0.492 17825 224 1 1 . 1 1 50 50 ALA N N 50 122.082 122.082 121.556 0.526 17825 225 1 1 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.864 0.077 17825 226 1 1 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.419 -0.322 17825 227 1 1 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.050 -0.176 17825 228 1 1 . 1 1 50 50 ALA H H 50 8.070 8.070 7.794 0.276 17825 229 1 1 . 1 1 51 51 GLU N N 51 119.977 119.977 118.192 1.785 17825 230 1 1 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.993 -0.174 17825 231 1 1 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.809 -0.118 17825 232 1 1 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.428 -0.062 17825 233 1 1 . 1 1 51 51 GLU H H 51 7.888 7.888 7.960 -0.072 17825 234 1 1 . 1 1 52 52 ALA N N 52 119.318 119.318 122.196 -2.878 17825 235 1 1 . 1 1 52 52 ALA HA H 52 4.339 4.339 3.994 0.345 17825 236 1 1 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.708 -2.072 17825 237 1 1 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.344 0.486 17825 238 1 1 . 1 1 52 52 ALA H H 52 7.727 7.727 8.211 -0.484 17825 239 1 1 . 1 1 53 53 TYR N N 53 116.011 116.011 119.285 -3.274 17825 240 1 1 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.126 -0.428 17825 241 1 1 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.938 -0.493 17825 242 1 1 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.382 1.012 17825 243 1 1 . 1 1 53 53 TYR H H 53 8.245 8.245 8.630 -0.385 17825 244 1 1 . 1 1 54 54 GLU N N 54 122.173 122.173 119.710 2.463 17825 245 1 1 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.264 0.079 17825 246 1 1 . 1 1 54 54 GLU CA C 54 59.048 59.048 59.237 -0.189 17825 247 1 1 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.399 -0.446 17825 248 1 1 . 1 1 54 54 GLU H H 54 8.125 8.125 7.569 0.556 17825 249 1 1 . 1 1 55 55 VAL N N 55 115.105 115.105 116.286 -1.181 17825 250 1 1 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.645 -0.217 17825 251 1 1 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.258 -0.031 17825 252 1 1 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.275 0.501 17825 253 1 1 . 1 1 55 55 VAL H H 55 6.790 6.790 7.785 -0.995 17825 254 1 1 . 1 1 56 56 LEU N N 56 111.133 111.133 118.313 -7.180 17825 255 1 1 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.996 -0.306 17825 256 1 1 . 1 1 56 56 LEU CA C 56 56.259 56.259 57.053 -0.794 17825 257 1 1 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.676 -0.014 17825 258 1 1 . 1 1 56 56 LEU H H 56 7.737 7.737 7.526 0.211 17825 259 1 1 . 1 1 57 57 SER N N 57 109.014 109.014 112.219 -3.205 17825 260 1 1 . 1 1 57 57 SER HA H 57 3.960 3.960 4.204 -0.244 17825 261 1 1 . 1 1 57 57 SER CA C 57 58.594 58.594 59.685 -1.091 17825 262 1 1 . 1 1 57 57 SER CB C 57 63.191 63.191 63.421 -0.230 17825 263 1 1 . 1 1 57 57 SER H H 57 7.808 7.808 7.561 0.247 17825 264 1 1 . 1 1 58 58 ASP N N 58 125.471 125.471 119.081 6.390 17825 265 1 1 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.816 -0.013 17825 266 1 1 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.953 -0.826 17825 267 1 1 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.877 0.598 17825 268 1 1 . 1 1 58 58 ASP H H 58 7.029 7.029 7.139 -0.110 17825 269 1 1 . 1 1 59 59 LYS N N 59 125.812 125.812 125.853 -0.041 17825 270 1 1 . 1 1 59 59 LYS HA H 59 3.864 3.864 4.003 -0.139 17825 271 1 1 . 1 1 59 59 LYS CA C 59 59.798 59.798 58.991 0.807 17825 272 1 1 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.484 -0.244 17825 273 1 1 . 1 1 59 59 LYS H H 59 8.731 8.731 8.846 -0.115 17825 274 1 1 . 1 1 60 60 HIS N N 60 116.930 116.930 119.003 -2.073 17825 275 1 1 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.560 0.023 17825 276 1 1 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.101 -0.650 17825 277 1 1 . 1 1 60 60 HIS CB C 60 29.173 29.173 30.182 -1.009 17825 278 1 1 . 1 1 60 60 HIS H H 60 8.066 8.066 7.925 0.141 17825 279 1 1 . 1 1 61 61 LYS N N 61 120.552 120.552 118.681 1.871 17825 280 1 1 . 1 1 61 61 LYS HA H 61 3.892 3.892 3.904 -0.012 17825 281 1 1 . 1 1 61 61 LYS CA C 61 59.853 59.853 59.616 0.237 17825 282 1 1 . 1 1 61 61 LYS CB C 61 32.850 32.850 32.135 0.715 17825 283 1 1 . 1 1 61 61 LYS H H 61 8.593 8.593 7.992 0.601 17825 284 1 1 . 1 1 62 62 ARG N N 62 120.957 120.957 117.978 2.979 17825 285 1 1 . 1 1 62 62 ARG HA H 62 3.710 3.710 3.955 -0.245 17825 286 1 1 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.945 0.305 17825 287 1 1 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.932 -0.709 17825 288 1 1 . 1 1 62 62 ARG H H 62 9.265 9.265 7.880 1.385 17825 289 1 1 . 1 1 63 63 GLU N N 63 117.661 117.661 119.163 -1.502 17825 290 1 1 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.175 -0.022 17825 291 1 1 . 1 1 63 63 GLU CA C 63 59.195 59.195 58.721 0.474 17825 292 1 1 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.004 -0.103 17825 293 1 1 . 1 1 63 63 GLU H H 63 7.562 7.562 7.696 -0.134 17825 294 1 1 . 1 1 64 64 ILE N N 64 119.447 119.447 121.107 -1.660 17825 295 1 1 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.738 0.104 17825 296 1 1 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.345 0.556 17825 297 1 1 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.599 0.928 17825 298 1 1 . 1 1 64 64 ILE H H 64 7.597 7.597 7.597 -0.000 17825 299 1 1 . 1 1 65 65 TYR N N 65 122.673 122.673 121.258 1.415 17825 300 1 1 . 1 1 65 65 TYR HA H 65 4.122 4.122 3.996 0.126 17825 301 1 1 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.350 -1.421 17825 302 1 1 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.449 0.426 17825 303 1 1 . 1 1 65 65 TYR H H 65 8.989 8.989 8.124 0.865 17825 304 1 1 . 1 1 66 66 ASP N N 66 121.011 121.011 118.066 2.945 17825 305 1 1 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.425 -0.077 17825 306 1 1 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.540 -0.981 17825 307 1 1 . 1 1 66 66 ASP CB C 66 39.591 39.591 40.943 -1.352 17825 308 1 1 . 1 1 66 66 ASP H H 66 9.331 9.331 7.793 1.538 17825 309 1 1 . 1 1 67 67 ARG N N 67 117.684 117.684 119.720 -2.036 17825 310 1 1 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.104 -0.019 17825 311 1 1 . 1 1 67 67 ARG CA C 67 57.509 57.509 59.335 -1.826 17825 312 1 1 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.183 1.375 17825 313 1 1 . 1 1 67 67 ARG H H 67 7.452 7.452 8.586 -1.134 17825 314 1 1 . 1 1 68 68 TYR N N 68 115.660 115.660 119.493 -3.833 17825 315 1 1 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.523 0.247 17825 316 1 1 . 1 1 68 68 TYR CA C 68 57.431 57.431 59.123 -1.692 17825 317 1 1 . 1 1 68 68 TYR CB C 68 40.631 40.631 38.560 2.071 17825 318 1 1 . 1 1 68 68 TYR H H 68 8.712 8.712 8.403 0.309 17825 319 1 1 . 1 1 69 69 GLY N N 69 109.947 109.947 108.449 1.498 17825 320 1 1 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.234 -1.606 17825 321 1 1 . 1 1 69 69 GLY H H 69 8.311 8.311 7.791 0.520 17825 322 1 1 . 1 1 70 70 ARG N N 70 120.184 120.184 120.519 -0.335 17825 323 1 1 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.185 -0.017 17825 324 1 1 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.709 2.115 17825 325 1 1 . 1 1 70 70 ARG CB C 70 30.187 30.187 30.180 0.007 17825 326 1 1 . 1 1 70 70 ARG H H 70 8.756 8.756 7.672 1.084 17825 327 1 2 . 1 1 3 3 SER N N 3 115.996 115.996 110.814 5.182 17825 328 1 2 . 1 1 3 3 SER HA H 3 4.428 4.428 3.363 1.065 17825 329 1 2 . 1 1 3 3 SER CA C 3 56.636 56.636 59.270 -2.634 17825 330 1 2 . 1 1 3 3 SER CB C 3 64.556 64.556 62.395 2.161 17825 331 1 2 . 1 1 3 3 SER H H 3 8.840 8.840 7.800 1.040 17825 332 1 2 . 1 1 4 4 TYR N N 4 119.562 119.562 120.676 -1.114 17825 333 1 2 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.114 0.356 17825 334 1 2 . 1 1 4 4 TYR CA C 4 57.964 57.964 61.270 -3.307 17825 335 1 2 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.190 0.014 17825 336 1 2 . 1 1 4 4 TYR H H 4 8.255 8.255 7.988 0.267 17825 337 1 2 . 1 1 5 5 TYR N N 5 114.704 114.704 114.858 -0.154 17825 338 1 2 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.068 -0.126 17825 339 1 2 . 1 1 5 5 TYR CA C 5 61.713 61.713 59.080 2.633 17825 340 1 2 . 1 1 5 5 TYR CB C 5 36.983 36.983 36.867 0.116 17825 341 1 2 . 1 1 5 5 TYR H H 5 7.137 7.137 7.623 -0.486 17825 342 1 2 . 1 1 6 6 GLU N N 6 119.884 119.884 117.837 2.047 17825 343 1 2 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.165 0.095 17825 344 1 2 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.140 0.339 17825 345 1 2 . 1 1 6 6 GLU CB C 6 29.656 29.656 30.029 -0.373 17825 346 1 2 . 1 1 6 6 GLU H H 6 7.622 7.622 7.197 0.425 17825 347 1 2 . 1 1 7 7 ILE N N 7 120.890 120.890 115.843 5.047 17825 348 1 2 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.966 -0.226 17825 349 1 2 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.463 0.423 17825 350 1 2 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.083 -0.057 17825 351 1 2 . 1 1 7 7 ILE H H 7 8.174 8.174 7.873 0.300 17825 352 1 2 . 1 1 8 8 LEU N N 8 115.091 115.091 118.834 -3.743 17825 353 1 2 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.438 -0.162 17825 354 1 2 . 1 1 8 8 LEU CA C 8 54.662 54.662 57.306 -2.644 17825 355 1 2 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.995 -2.130 17825 356 1 2 . 1 1 8 8 LEU H H 8 7.039 7.039 7.973 -0.934 17825 357 1 2 . 1 1 9 9 ASP N N 9 119.283 119.283 114.018 5.265 17825 358 1 2 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.582 -0.274 17825 359 1 2 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.677 -0.362 17825 360 1 2 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.114 -2.608 17825 361 1 2 . 1 1 9 9 ASP H H 9 7.997 7.997 7.824 0.173 17825 362 1 2 . 1 1 10 10 VAL N N 10 111.344 111.344 115.380 -4.036 17825 363 1 2 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.604 0.352 17825 364 1 2 . 1 1 10 10 VAL CA C 10 56.786 56.786 57.618 -0.832 17825 365 1 2 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.103 0.563 17825 366 1 2 . 1 1 10 10 VAL H H 10 8.115 8.115 7.621 0.494 17825 367 1 2 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.831 -1.113 17825 368 1 2 . 1 1 12 12 ARG N N 12 118.354 118.354 117.546 0.808 17825 369 1 2 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.470 0.058 17825 370 1 2 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.032 -0.386 17825 371 1 2 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.901 -0.655 17825 372 1 2 . 1 1 12 12 ARG H H 12 8.291 8.291 8.860 -0.569 17825 373 1 2 . 1 1 13 13 SER N N 13 107.420 107.420 114.748 -7.328 17825 374 1 2 . 1 1 13 13 SER HA H 13 4.285 4.285 4.374 -0.089 17825 375 1 2 . 1 1 13 13 SER CA C 13 56.468 56.468 59.675 -3.207 17825 376 1 2 . 1 1 13 13 SER CB C 13 62.713 62.713 63.127 -0.414 17825 377 1 2 . 1 1 13 13 SER H H 13 7.181 7.181 8.058 -0.877 17825 378 1 2 . 1 1 14 14 ALA N N 14 124.202 124.202 125.152 -0.950 17825 379 1 2 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.452 -0.126 17825 380 1 2 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.822 0.749 17825 381 1 2 . 1 1 14 14 ALA CB C 14 20.312 20.312 20.041 0.271 17825 382 1 2 . 1 1 14 14 ALA H H 14 7.631 7.631 7.412 0.219 17825 383 1 2 . 1 1 15 15 SER N N 15 118.770 118.770 117.325 1.445 17825 384 1 2 . 1 1 15 15 SER HA H 15 4.675 4.675 4.395 0.280 17825 385 1 2 . 1 1 15 15 SER CA C 15 56.381 56.381 58.000 -1.619 17825 386 1 2 . 1 1 15 15 SER CB C 15 65.323 65.323 64.210 1.113 17825 387 1 2 . 1 1 15 15 SER H H 15 9.295 9.295 8.427 0.868 17825 388 1 2 . 1 1 16 16 ALA N N 16 122.893 122.893 124.986 -2.093 17825 389 1 2 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.070 0.074 17825 390 1 2 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.576 -0.283 17825 391 1 2 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.589 -0.284 17825 392 1 2 . 1 1 16 16 ALA H H 16 9.025 9.025 8.774 0.251 17825 393 1 2 . 1 1 17 17 ASP N N 17 118.305 118.305 116.763 1.542 17825 394 1 2 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.315 0.190 17825 395 1 2 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.599 -0.430 17825 396 1 2 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.613 0.109 17825 397 1 2 . 1 1 17 17 ASP H H 17 8.403 8.403 8.709 -0.306 17825 398 1 2 . 1 1 18 18 ASP N N 18 121.474 121.474 119.954 1.520 17825 399 1 2 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.429 -0.020 17825 400 1 2 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.105 -0.025 17825 401 1 2 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.862 -0.663 17825 402 1 2 . 1 1 18 18 ASP H H 18 8.062 8.062 7.819 0.243 17825 403 1 2 . 1 1 19 19 ILE N N 19 122.227 122.227 120.783 1.444 17825 404 1 2 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.703 -0.050 17825 405 1 2 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.778 0.411 17825 406 1 2 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.101 -0.292 17825 407 1 2 . 1 1 19 19 ILE H H 19 8.181 8.181 7.606 0.575 17825 408 1 2 . 1 1 20 20 LYS N N 20 120.936 120.936 120.357 0.579 17825 409 1 2 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.274 0.927 17825 410 1 2 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.629 0.766 17825 411 1 2 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.120 0.319 17825 412 1 2 . 1 1 20 20 LYS H H 20 8.035 8.035 8.312 -0.277 17825 413 1 2 . 1 1 21 21 LYS N N 21 118.610 118.610 118.171 0.439 17825 414 1 2 . 1 1 21 21 LYS HA H 21 3.967 3.967 3.851 0.116 17825 415 1 2 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.718 0.988 17825 416 1 2 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.965 0.613 17825 417 1 2 . 1 1 21 21 LYS H H 21 8.204 8.204 7.918 0.286 17825 418 1 2 . 1 1 22 22 ALA N N 22 122.873 122.873 122.435 0.438 17825 419 1 2 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.090 0.085 17825 420 1 2 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.094 -0.299 17825 421 1 2 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.171 1.631 17825 422 1 2 . 1 1 22 22 ALA H H 22 8.091 8.091 7.823 0.268 17825 423 1 2 . 1 1 23 23 TYR N N 23 118.422 118.422 116.387 2.035 17825 424 1 2 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.224 -0.275 17825 425 1 2 . 1 1 23 23 TYR CA C 23 60.450 60.450 58.859 1.591 17825 426 1 2 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.396 1.145 17825 427 1 2 . 1 1 23 23 TYR H H 23 8.527 8.527 7.854 0.673 17825 428 1 2 . 1 1 24 24 ARG N N 24 117.379 117.379 121.045 -3.666 17825 429 1 2 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.963 -0.501 17825 430 1 2 . 1 1 24 24 ARG CA C 24 58.922 58.922 58.901 0.021 17825 431 1 2 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.512 0.034 17825 432 1 2 . 1 1 24 24 ARG H H 24 7.878 7.878 7.632 0.246 17825 433 1 2 . 1 1 25 25 ARG N N 25 117.097 117.097 118.069 -0.972 17825 434 1 2 . 1 1 25 25 ARG HA H 25 4.046 4.046 4.055 -0.009 17825 435 1 2 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.131 0.254 17825 436 1 2 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.633 0.799 17825 437 1 2 . 1 1 25 25 ARG H H 25 7.612 7.612 8.348 -0.736 17825 438 1 2 . 1 1 26 26 LYS N N 26 120.499 120.499 121.415 -0.916 17825 439 1 2 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.280 -0.073 17825 440 1 2 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.167 -2.006 17825 441 1 2 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.529 0.586 17825 442 1 2 . 1 1 26 26 LYS H H 26 8.460 8.460 7.637 0.823 17825 443 1 2 . 1 1 27 27 ALA N N 27 122.515 122.515 122.037 0.478 17825 444 1 2 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.359 -0.394 17825 445 1 2 . 1 1 27 27 ALA CA C 27 54.642 54.642 55.027 -0.385 17825 446 1 2 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.829 -1.532 17825 447 1 2 . 1 1 27 27 ALA H H 27 9.009 9.009 8.311 0.698 17825 448 1 2 . 1 1 28 28 LEU N N 28 116.108 116.108 117.420 -1.312 17825 449 1 2 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.071 0.069 17825 450 1 2 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.783 -0.967 17825 451 1 2 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.787 0.068 17825 452 1 2 . 1 1 28 28 LEU H H 28 7.149 7.149 7.637 -0.488 17825 453 1 2 . 1 1 29 29 GLN N N 29 118.295 118.295 118.897 -0.602 17825 454 1 2 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.933 -0.207 17825 455 1 2 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.727 -0.533 17825 456 1 2 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.541 -0.409 17825 457 1 2 . 1 1 29 29 GLN H H 29 7.552 7.552 7.663 -0.111 17825 458 1 2 . 1 1 30 30 TRP N N 30 114.410 114.410 115.095 -0.685 17825 459 1 2 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.894 0.217 17825 460 1 2 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.681 -1.368 17825 461 1 2 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.502 0.537 17825 462 1 2 . 1 1 30 30 TRP H H 30 7.713 7.713 7.359 0.354 17825 463 1 2 . 1 1 31 31 HIS N N 31 121.533 121.533 121.927 -0.394 17825 464 1 2 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.781 -0.815 17825 465 1 2 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.989 -0.377 17825 466 1 2 . 1 1 31 31 HIS CB C 31 31.108 31.108 32.169 -1.061 17825 467 1 2 . 1 1 31 31 HIS H H 31 7.299 7.299 7.473 -0.174 17825 468 1 2 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.172 -0.080 17825 469 1 2 . 1 1 33 33 ASP N N 33 120.057 120.057 117.150 2.907 17825 470 1 2 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.437 0.034 17825 471 1 2 . 1 1 33 33 ASP CA C 33 56.534 56.534 55.884 0.650 17825 472 1 2 . 1 1 33 33 ASP CB C 33 39.831 39.831 39.815 0.016 17825 473 1 2 . 1 1 33 33 ASP H H 33 10.765 10.765 8.383 2.382 17825 474 1 2 . 1 1 34 34 LYS N N 34 116.570 116.570 118.263 -1.693 17825 475 1 2 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.549 -0.101 17825 476 1 2 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.888 -0.810 17825 477 1 2 . 1 1 34 34 LYS CB C 34 32.455 32.455 32.550 -0.095 17825 478 1 2 . 1 1 34 34 LYS H H 34 7.842 7.842 8.034 -0.192 17825 479 1 2 . 1 1 35 35 ASN N N 35 118.970 118.970 119.725 -0.755 17825 480 1 2 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.003 0.288 17825 481 1 2 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.765 1.256 17825 482 1 2 . 1 1 35 35 ASN CB C 35 42.197 42.197 40.084 2.113 17825 483 1 2 . 1 1 35 35 ASN H H 35 7.588 7.588 7.514 0.074 17825 484 1 2 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.655 -0.304 17825 485 1 2 . 1 1 37 37 ASP N N 37 116.874 116.874 116.301 0.573 17825 486 1 2 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.692 0.085 17825 487 1 2 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.786 -0.749 17825 488 1 2 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.187 -0.375 17825 489 1 2 . 1 1 37 37 ASP H H 37 8.521 8.521 8.412 0.109 17825 490 1 2 . 1 1 38 38 ASN N N 38 120.484 120.484 119.632 0.852 17825 491 1 2 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.925 0.183 17825 492 1 2 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.041 -1.261 17825 493 1 2 . 1 1 38 38 ASN CB C 38 38.694 38.694 39.039 -0.345 17825 494 1 2 . 1 1 38 38 ASN H H 38 7.901 7.901 8.182 -0.281 17825 495 1 2 . 1 1 39 39 LYS N N 39 121.973 121.973 123.781 -1.808 17825 496 1 2 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.277 -0.258 17825 497 1 2 . 1 1 39 39 LYS CA C 39 60.723 60.723 58.299 2.424 17825 498 1 2 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.839 0.431 17825 499 1 2 . 1 1 39 39 LYS H H 39 8.362 8.362 8.646 -0.284 17825 500 1 2 . 1 1 40 40 GLU N N 40 119.447 119.447 122.133 -2.686 17825 501 1 2 . 1 1 40 40 GLU HA H 40 4.105 4.105 3.931 0.174 17825 502 1 2 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.630 0.182 17825 503 1 2 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.015 -0.438 17825 504 1 2 . 1 1 40 40 GLU H H 40 8.746 8.746 8.699 0.047 17825 505 1 2 . 1 1 41 41 PHE N N 41 121.498 121.498 116.912 4.586 17825 506 1 2 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.019 0.152 17825 507 1 2 . 1 1 41 41 PHE CA C 41 60.572 60.572 61.269 -0.697 17825 508 1 2 . 1 1 41 41 PHE CB C 41 39.500 39.500 37.751 1.749 17825 509 1 2 . 1 1 41 41 PHE H H 41 8.273 8.273 8.023 0.250 17825 510 1 2 . 1 1 42 42 ALA N N 42 120.231 120.231 121.846 -1.615 17825 511 1 2 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.910 0.201 17825 512 1 2 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.260 -0.183 17825 513 1 2 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.255 -0.139 17825 514 1 2 . 1 1 42 42 ALA H H 42 8.238 8.238 7.733 0.505 17825 515 1 2 . 1 1 43 43 GLU N N 43 117.279 117.279 118.399 -1.120 17825 516 1 2 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.002 0.040 17825 517 1 2 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.375 0.377 17825 518 1 2 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.489 -0.223 17825 519 1 2 . 1 1 43 43 GLU H H 43 8.523 8.523 8.133 0.390 17825 520 1 2 . 1 1 44 44 LYS N N 44 119.444 119.444 119.672 -0.228 17825 521 1 2 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.079 -0.128 17825 522 1 2 . 1 1 44 44 LYS CA C 44 59.450 59.450 58.602 0.848 17825 523 1 2 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.024 -0.418 17825 524 1 2 . 1 1 44 44 LYS H H 44 7.356 7.356 8.368 -1.012 17825 525 1 2 . 1 1 45 45 LYS N N 45 119.401 119.401 119.419 -0.018 17825 526 1 2 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.020 -0.420 17825 527 1 2 . 1 1 45 45 LYS CA C 45 56.273 56.273 57.854 -1.581 17825 528 1 2 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.305 -1.923 17825 529 1 2 . 1 1 45 45 LYS H H 45 7.584 7.584 8.157 -0.573 17825 530 1 2 . 1 1 46 46 PHE N N 46 121.408 121.408 122.218 -0.810 17825 531 1 2 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.179 -0.248 17825 532 1 2 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.829 -0.267 17825 533 1 2 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.105 -0.089 17825 534 1 2 . 1 1 46 46 PHE H H 46 9.323 9.323 8.577 0.746 17825 535 1 2 . 1 1 47 47 LYS N N 47 119.512 119.512 118.540 0.972 17825 536 1 2 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.985 -0.072 17825 537 1 2 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.229 0.121 17825 538 1 2 . 1 1 47 47 LYS CB C 47 31.885 31.885 31.777 0.108 17825 539 1 2 . 1 1 47 47 LYS H H 47 8.147 8.147 8.295 -0.148 17825 540 1 2 . 1 1 48 48 GLU N N 48 119.665 119.665 120.003 -0.338 17825 541 1 2 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.185 -0.087 17825 542 1 2 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.355 -0.362 17825 543 1 2 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.642 -0.054 17825 544 1 2 . 1 1 48 48 GLU H H 48 7.540 7.540 8.051 -0.511 17825 545 1 2 . 1 1 49 49 VAL N N 49 120.333 120.333 119.732 0.601 17825 546 1 2 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.763 -0.297 17825 547 1 2 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.768 -0.148 17825 548 1 2 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.743 0.048 17825 549 1 2 . 1 1 49 49 VAL H H 49 7.727 7.727 8.362 -0.635 17825 550 1 2 . 1 1 50 50 ALA N N 50 122.082 122.082 121.780 0.302 17825 551 1 2 . 1 1 50 50 ALA HA H 50 3.941 3.941 4.196 -0.255 17825 552 1 2 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.466 -0.369 17825 553 1 2 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.065 -0.191 17825 554 1 2 . 1 1 50 50 ALA H H 50 8.070 8.070 7.649 0.421 17825 555 1 2 . 1 1 51 51 GLU N N 51 119.977 119.977 117.837 2.140 17825 556 1 2 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.858 -0.039 17825 557 1 2 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.725 -0.034 17825 558 1 2 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.369 -0.003 17825 559 1 2 . 1 1 51 51 GLU H H 51 7.888 7.888 7.989 -0.101 17825 560 1 2 . 1 1 52 52 ALA N N 52 119.318 119.318 122.516 -3.198 17825 561 1 2 . 1 1 52 52 ALA HA H 52 4.339 4.339 3.967 0.372 17825 562 1 2 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.697 -2.061 17825 563 1 2 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.392 0.438 17825 564 1 2 . 1 1 52 52 ALA H H 52 7.727 7.727 7.817 -0.090 17825 565 1 2 . 1 1 53 53 TYR N N 53 116.011 116.011 118.263 -2.252 17825 566 1 2 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.149 -0.451 17825 567 1 2 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.423 0.022 17825 568 1 2 . 1 1 53 53 TYR CB C 53 39.394 39.394 37.435 1.959 17825 569 1 2 . 1 1 53 53 TYR H H 53 8.245 8.245 8.725 -0.480 17825 570 1 2 . 1 1 54 54 GLU N N 54 122.173 122.173 119.413 2.760 17825 571 1 2 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.573 -0.230 17825 572 1 2 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.748 0.300 17825 573 1 2 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.949 0.004 17825 574 1 2 . 1 1 54 54 GLU H H 54 8.125 8.125 7.030 1.095 17825 575 1 2 . 1 1 55 55 VAL N N 55 115.105 115.105 119.661 -4.556 17825 576 1 2 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.660 -0.232 17825 577 1 2 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.352 -0.125 17825 578 1 2 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.670 0.106 17825 579 1 2 . 1 1 55 55 VAL H H 55 6.790 6.790 7.436 -0.646 17825 580 1 2 . 1 1 56 56 LEU N N 56 111.133 111.133 118.325 -7.192 17825 581 1 2 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.983 -0.293 17825 582 1 2 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.975 -0.716 17825 583 1 2 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.729 -0.067 17825 584 1 2 . 1 1 56 56 LEU H H 56 7.737 7.737 8.407 -0.670 17825 585 1 2 . 1 1 57 57 SER N N 57 109.014 109.014 111.732 -2.718 17825 586 1 2 . 1 1 57 57 SER HA H 57 3.960 3.960 4.342 -0.382 17825 587 1 2 . 1 1 57 57 SER CA C 57 58.594 58.594 59.770 -1.176 17825 588 1 2 . 1 1 57 57 SER CB C 57 63.191 63.191 64.069 -0.877 17825 589 1 2 . 1 1 57 57 SER H H 57 7.808 7.808 7.647 0.161 17825 590 1 2 . 1 1 58 58 ASP N N 58 125.471 125.471 120.142 5.329 17825 591 1 2 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.726 0.077 17825 592 1 2 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.832 -0.705 17825 593 1 2 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.733 0.741 17825 594 1 2 . 1 1 58 58 ASP H H 58 7.029 7.029 7.375 -0.346 17825 595 1 2 . 1 1 59 59 LYS N N 59 125.812 125.812 127.689 -1.877 17825 596 1 2 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.922 -0.058 17825 597 1 2 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.371 0.427 17825 598 1 2 . 1 1 59 59 LYS CB C 59 32.240 32.240 31.586 0.654 17825 599 1 2 . 1 1 59 59 LYS H H 59 8.731 8.731 8.701 0.030 17825 600 1 2 . 1 1 60 60 HIS N N 60 116.930 116.930 119.391 -2.461 17825 601 1 2 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.894 -0.311 17825 602 1 2 . 1 1 60 60 HIS CA C 60 58.451 58.451 58.315 0.136 17825 603 1 2 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.314 -0.141 17825 604 1 2 . 1 1 60 60 HIS H H 60 8.066 8.066 7.519 0.547 17825 605 1 2 . 1 1 61 61 LYS N N 61 120.552 120.552 120.348 0.204 17825 606 1 2 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.015 -0.123 17825 607 1 2 . 1 1 61 61 LYS CA C 61 59.853 59.853 59.377 0.476 17825 608 1 2 . 1 1 61 61 LYS CB C 61 32.850 32.850 32.399 0.451 17825 609 1 2 . 1 1 61 61 LYS H H 61 8.593 8.593 8.849 -0.256 17825 610 1 2 . 1 1 62 62 ARG N N 62 120.957 120.957 118.809 2.148 17825 611 1 2 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.130 -0.420 17825 612 1 2 . 1 1 62 62 ARG CA C 62 60.250 60.250 58.678 1.572 17825 613 1 2 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.551 -0.328 17825 614 1 2 . 1 1 62 62 ARG H H 62 9.265 9.265 8.012 1.253 17825 615 1 2 . 1 1 63 63 GLU N N 63 117.661 117.661 120.228 -2.567 17825 616 1 2 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.103 0.050 17825 617 1 2 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.385 -0.190 17825 618 1 2 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.410 -0.509 17825 619 1 2 . 1 1 63 63 GLU H H 63 7.562 7.562 7.626 -0.064 17825 620 1 2 . 1 1 64 64 ILE N N 64 119.447 119.447 120.371 -0.924 17825 621 1 2 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.806 0.036 17825 622 1 2 . 1 1 64 64 ILE CA C 64 63.901 63.901 64.454 -0.553 17825 623 1 2 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.775 -0.248 17825 624 1 2 . 1 1 64 64 ILE H H 64 7.597 7.597 7.790 -0.193 17825 625 1 2 . 1 1 65 65 TYR N N 65 122.673 122.673 120.723 1.950 17825 626 1 2 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.054 0.068 17825 627 1 2 . 1 1 65 65 TYR CA C 65 60.929 60.929 61.682 -0.753 17825 628 1 2 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.552 0.323 17825 629 1 2 . 1 1 65 65 TYR H H 65 8.989 8.989 8.521 0.468 17825 630 1 2 . 1 1 66 66 ASP N N 66 121.011 121.011 118.393 2.618 17825 631 1 2 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.255 0.093 17825 632 1 2 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.382 -0.823 17825 633 1 2 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.172 -1.581 17825 634 1 2 . 1 1 66 66 ASP H H 66 9.331 9.331 8.164 1.167 17825 635 1 2 . 1 1 67 67 ARG N N 67 117.684 117.684 118.230 -0.546 17825 636 1 2 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.207 -0.122 17825 637 1 2 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.724 -1.215 17825 638 1 2 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.458 1.100 17825 639 1 2 . 1 1 67 67 ARG H H 67 7.452 7.452 7.723 -0.271 17825 640 1 2 . 1 1 68 68 TYR N N 68 115.660 115.660 120.225 -4.565 17825 641 1 2 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.660 0.110 17825 642 1 2 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.032 -0.601 17825 643 1 2 . 1 1 68 68 TYR CB C 68 40.631 40.631 38.586 2.045 17825 644 1 2 . 1 1 68 68 TYR H H 68 8.712 8.712 8.561 0.151 17825 645 1 2 . 1 1 69 69 GLY N N 69 109.947 109.947 108.225 1.722 17825 646 1 2 . 1 1 69 69 GLY CA C 69 44.628 44.628 45.910 -1.282 17825 647 1 2 . 1 1 69 69 GLY H H 69 8.311 8.311 7.882 0.429 17825 648 1 2 . 1 1 70 70 ARG N N 70 120.184 120.184 120.218 -0.034 17825 649 1 2 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.153 0.015 17825 650 1 2 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.630 2.194 17825 651 1 2 . 1 1 70 70 ARG CB C 70 30.187 30.187 30.025 0.162 17825 652 1 2 . 1 1 70 70 ARG H H 70 8.756 8.756 7.986 0.770 17825 653 1 3 . 1 1 3 3 SER N N 3 115.996 115.996 113.073 2.923 17825 654 1 3 . 1 1 3 3 SER HA H 3 4.428 4.428 4.065 0.363 17825 655 1 3 . 1 1 3 3 SER CA C 3 56.636 56.636 59.080 -2.444 17825 656 1 3 . 1 1 3 3 SER CB C 3 64.556 64.556 61.723 2.833 17825 657 1 3 . 1 1 3 3 SER H H 3 8.840 8.840 8.386 0.454 17825 658 1 3 . 1 1 4 4 TYR N N 4 119.562 119.562 119.105 0.457 17825 659 1 3 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.140 0.330 17825 660 1 3 . 1 1 4 4 TYR CA C 4 57.964 57.964 61.054 -3.090 17825 661 1 3 . 1 1 4 4 TYR CB C 4 37.204 37.204 38.068 -0.864 17825 662 1 3 . 1 1 4 4 TYR H H 4 8.255 8.255 8.226 0.029 17825 663 1 3 . 1 1 5 5 TYR N N 5 114.704 114.704 118.509 -3.805 17825 664 1 3 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.430 -0.488 17825 665 1 3 . 1 1 5 5 TYR CA C 5 61.713 61.713 61.165 0.548 17825 666 1 3 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.205 -1.222 17825 667 1 3 . 1 1 5 5 TYR H H 5 7.137 7.137 8.566 -1.429 17825 668 1 3 . 1 1 6 6 GLU N N 6 119.884 119.884 116.671 3.213 17825 669 1 3 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.191 0.069 17825 670 1 3 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.585 -0.106 17825 671 1 3 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.426 0.230 17825 672 1 3 . 1 1 6 6 GLU H H 6 7.622 7.622 8.225 -0.603 17825 673 1 3 . 1 1 7 7 ILE N N 7 120.890 120.890 115.453 5.437 17825 674 1 3 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.976 -0.236 17825 675 1 3 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.509 0.377 17825 676 1 3 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.077 -0.051 17825 677 1 3 . 1 1 7 7 ILE H H 7 8.174 8.174 7.967 0.207 17825 678 1 3 . 1 1 8 8 LEU N N 8 115.091 115.091 119.132 -4.041 17825 679 1 3 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.484 -0.208 17825 680 1 3 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.467 -1.805 17825 681 1 3 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.114 -2.248 17825 682 1 3 . 1 1 8 8 LEU H H 8 7.039 7.039 7.856 -0.817 17825 683 1 3 . 1 1 9 9 ASP N N 9 119.283 119.283 115.151 4.132 17825 684 1 3 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.515 -0.207 17825 685 1 3 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.361 -0.046 17825 686 1 3 . 1 1 9 9 ASP CB C 9 39.506 39.506 43.718 -4.213 17825 687 1 3 . 1 1 9 9 ASP H H 9 7.997 7.997 8.482 -0.485 17825 688 1 3 . 1 1 10 10 VAL N N 10 111.344 111.344 115.929 -4.585 17825 689 1 3 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.596 0.360 17825 690 1 3 . 1 1 10 10 VAL CA C 10 56.786 56.786 57.882 -1.096 17825 691 1 3 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.069 0.597 17825 692 1 3 . 1 1 10 10 VAL H H 10 8.115 8.115 7.434 0.681 17825 693 1 3 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.638 -0.920 17825 694 1 3 . 1 1 12 12 ARG N N 12 118.354 118.354 112.949 5.405 17825 695 1 3 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.293 0.235 17825 696 1 3 . 1 1 12 12 ARG CA C 12 57.646 57.646 57.151 0.495 17825 697 1 3 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.922 -0.676 17825 698 1 3 . 1 1 12 12 ARG H H 12 8.291 8.291 7.898 0.393 17825 699 1 3 . 1 1 13 13 SER N N 13 107.420 107.420 116.484 -9.064 17825 700 1 3 . 1 1 13 13 SER HA H 13 4.285 4.285 4.504 -0.219 17825 701 1 3 . 1 1 13 13 SER CA C 13 56.468 56.468 56.891 -0.423 17825 702 1 3 . 1 1 13 13 SER CB C 13 62.713 62.713 63.122 -0.409 17825 703 1 3 . 1 1 13 13 SER H H 13 7.181 7.181 8.301 -1.120 17825 704 1 3 . 1 1 14 14 ALA N N 14 124.202 124.202 124.188 0.014 17825 705 1 3 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.452 -0.126 17825 706 1 3 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.775 0.795 17825 707 1 3 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.836 0.476 17825 708 1 3 . 1 1 14 14 ALA H H 14 7.631 7.631 7.572 0.059 17825 709 1 3 . 1 1 15 15 SER N N 15 118.770 118.770 117.198 1.572 17825 710 1 3 . 1 1 15 15 SER HA H 15 4.675 4.675 4.315 0.360 17825 711 1 3 . 1 1 15 15 SER CA C 15 56.381 56.381 58.375 -1.994 17825 712 1 3 . 1 1 15 15 SER CB C 15 65.323 65.323 63.788 1.535 17825 713 1 3 . 1 1 15 15 SER H H 15 9.295 9.295 8.440 0.855 17825 714 1 3 . 1 1 16 16 ALA N N 16 122.893 122.893 129.041 -6.148 17825 715 1 3 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.033 0.111 17825 716 1 3 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.127 0.166 17825 717 1 3 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.672 -0.367 17825 718 1 3 . 1 1 16 16 ALA H H 16 9.025 9.025 8.816 0.209 17825 719 1 3 . 1 1 17 17 ASP N N 17 118.305 118.305 117.327 0.978 17825 720 1 3 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.426 0.079 17825 721 1 3 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.383 -0.214 17825 722 1 3 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.592 0.130 17825 723 1 3 . 1 1 17 17 ASP H H 17 8.403 8.403 8.567 -0.164 17825 724 1 3 . 1 1 18 18 ASP N N 18 121.474 121.474 120.604 0.870 17825 725 1 3 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.470 -0.061 17825 726 1 3 . 1 1 18 18 ASP CA C 18 57.080 57.080 56.971 0.109 17825 727 1 3 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.807 -0.608 17825 728 1 3 . 1 1 18 18 ASP H H 18 8.062 8.062 7.984 0.078 17825 729 1 3 . 1 1 19 19 ILE N N 19 122.227 122.227 120.682 1.545 17825 730 1 3 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.682 -0.029 17825 731 1 3 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.118 0.071 17825 732 1 3 . 1 1 19 19 ILE CB C 19 37.809 37.809 37.903 -0.094 17825 733 1 3 . 1 1 19 19 ILE H H 19 8.181 8.181 7.565 0.616 17825 734 1 3 . 1 1 20 20 LYS N N 20 120.936 120.936 119.678 1.258 17825 735 1 3 . 1 1 20 20 LYS HA H 20 4.201 4.201 4.081 0.120 17825 736 1 3 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.135 1.260 17825 737 1 3 . 1 1 20 20 LYS CB C 20 32.439 32.439 31.559 0.880 17825 738 1 3 . 1 1 20 20 LYS H H 20 8.035 8.035 8.181 -0.146 17825 739 1 3 . 1 1 21 21 LYS N N 21 118.610 118.610 119.841 -1.231 17825 740 1 3 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.092 -0.125 17825 741 1 3 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.733 0.973 17825 742 1 3 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.910 0.668 17825 743 1 3 . 1 1 21 21 LYS H H 21 8.204 8.204 8.152 0.052 17825 744 1 3 . 1 1 22 22 ALA N N 22 122.873 122.873 122.311 0.562 17825 745 1 3 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.032 0.143 17825 746 1 3 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.106 -0.311 17825 747 1 3 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.335 1.467 17825 748 1 3 . 1 1 22 22 ALA H H 22 8.091 8.091 8.581 -0.490 17825 749 1 3 . 1 1 23 23 TYR N N 23 118.422 118.422 120.243 -1.821 17825 750 1 3 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.077 -0.128 17825 751 1 3 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.344 -0.894 17825 752 1 3 . 1 1 23 23 TYR CB C 23 38.541 38.541 38.127 0.414 17825 753 1 3 . 1 1 23 23 TYR H H 23 8.527 8.527 8.523 0.004 17825 754 1 3 . 1 1 24 24 ARG N N 24 117.379 117.379 119.155 -1.776 17825 755 1 3 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.332 0.130 17825 756 1 3 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.794 -0.872 17825 757 1 3 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.026 -0.480 17825 758 1 3 . 1 1 24 24 ARG H H 24 7.878 7.878 8.446 -0.568 17825 759 1 3 . 1 1 25 25 ARG N N 25 117.097 117.097 119.912 -2.815 17825 760 1 3 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.946 0.100 17825 761 1 3 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.547 -0.162 17825 762 1 3 . 1 1 25 25 ARG CB C 25 30.432 30.432 30.040 0.392 17825 763 1 3 . 1 1 25 25 ARG H H 25 7.612 7.612 8.580 -0.968 17825 764 1 3 . 1 1 26 26 LYS N N 26 120.499 120.499 119.614 0.885 17825 765 1 3 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.118 0.089 17825 766 1 3 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.401 -2.240 17825 767 1 3 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.451 0.664 17825 768 1 3 . 1 1 26 26 LYS H H 26 8.460 8.460 7.740 0.720 17825 769 1 3 . 1 1 27 27 ALA N N 27 122.515 122.515 122.041 0.474 17825 770 1 3 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.233 -0.268 17825 771 1 3 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.797 -0.155 17825 772 1 3 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.564 -1.267 17825 773 1 3 . 1 1 27 27 ALA H H 27 9.009 9.009 7.998 1.011 17825 774 1 3 . 1 1 28 28 LEU N N 28 116.108 116.108 118.366 -2.258 17825 775 1 3 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.858 0.282 17825 776 1 3 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.868 -1.052 17825 777 1 3 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.920 -0.065 17825 778 1 3 . 1 1 28 28 LEU H H 28 7.149 7.149 7.736 -0.587 17825 779 1 3 . 1 1 29 29 GLN N N 29 118.295 118.295 119.549 -1.254 17825 780 1 3 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.914 -0.188 17825 781 1 3 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.843 -0.649 17825 782 1 3 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.873 -0.741 17825 783 1 3 . 1 1 29 29 GLN H H 29 7.552 7.552 7.736 -0.184 17825 784 1 3 . 1 1 30 30 TRP N N 30 114.410 114.410 115.820 -1.410 17825 785 1 3 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.795 0.316 17825 786 1 3 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.355 -1.042 17825 787 1 3 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.856 0.183 17825 788 1 3 . 1 1 30 30 TRP H H 30 7.713 7.713 7.391 0.322 17825 789 1 3 . 1 1 31 31 HIS N N 31 121.533 121.533 121.006 0.527 17825 790 1 3 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.688 -0.722 17825 791 1 3 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.699 -0.087 17825 792 1 3 . 1 1 31 31 HIS CB C 31 31.108 31.108 31.765 -0.657 17825 793 1 3 . 1 1 31 31 HIS H H 31 7.299 7.299 7.438 -0.139 17825 794 1 3 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.404 -0.312 17825 795 1 3 . 1 1 33 33 ASP N N 33 120.057 120.057 116.898 3.159 17825 796 1 3 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.554 -0.083 17825 797 1 3 . 1 1 33 33 ASP CA C 33 56.534 56.534 55.891 0.643 17825 798 1 3 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.830 -0.999 17825 799 1 3 . 1 1 33 33 ASP H H 33 10.765 10.765 8.254 2.511 17825 800 1 3 . 1 1 34 34 LYS N N 34 116.570 116.570 117.622 -1.052 17825 801 1 3 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.388 0.060 17825 802 1 3 . 1 1 34 34 LYS CA C 34 54.078 54.078 55.325 -1.247 17825 803 1 3 . 1 1 34 34 LYS CB C 34 32.455 32.455 34.075 -1.620 17825 804 1 3 . 1 1 34 34 LYS H H 34 7.842 7.842 8.070 -0.228 17825 805 1 3 . 1 1 35 35 ASN N N 35 118.970 118.970 119.124 -0.154 17825 806 1 3 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.912 0.379 17825 807 1 3 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.752 1.269 17825 808 1 3 . 1 1 35 35 ASN CB C 35 42.197 42.197 38.178 4.019 17825 809 1 3 . 1 1 35 35 ASN H H 35 7.588 7.588 7.815 -0.227 17825 810 1 3 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.548 -0.197 17825 811 1 3 . 1 1 37 37 ASP N N 37 116.874 116.874 116.313 0.561 17825 812 1 3 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.681 0.096 17825 813 1 3 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.638 -0.601 17825 814 1 3 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.230 -0.418 17825 815 1 3 . 1 1 37 37 ASP H H 37 8.521 8.521 8.517 0.004 17825 816 1 3 . 1 1 38 38 ASN N N 38 120.484 120.484 119.967 0.517 17825 817 1 3 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.959 0.149 17825 818 1 3 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.452 -1.672 17825 819 1 3 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.807 -0.113 17825 820 1 3 . 1 1 38 38 ASN H H 38 7.901 7.901 8.274 -0.373 17825 821 1 3 . 1 1 39 39 LYS N N 39 121.973 121.973 123.095 -1.122 17825 822 1 3 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.549 -0.530 17825 823 1 3 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.116 3.607 17825 824 1 3 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.344 -0.074 17825 825 1 3 . 1 1 39 39 LYS H H 39 8.362 8.362 8.447 -0.085 17825 826 1 3 . 1 1 40 40 GLU N N 40 119.447 119.447 122.181 -2.734 17825 827 1 3 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.040 0.065 17825 828 1 3 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.659 0.153 17825 829 1 3 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.148 -0.571 17825 830 1 3 . 1 1 40 40 GLU H H 40 8.746 8.746 8.881 -0.135 17825 831 1 3 . 1 1 41 41 PHE N N 41 121.498 121.498 116.410 5.088 17825 832 1 3 . 1 1 41 41 PHE HA H 41 4.171 4.171 3.993 0.178 17825 833 1 3 . 1 1 41 41 PHE CA C 41 60.572 60.572 60.795 -0.223 17825 834 1 3 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.072 1.428 17825 835 1 3 . 1 1 41 41 PHE H H 41 8.273 8.273 8.277 -0.004 17825 836 1 3 . 1 1 42 42 ALA N N 42 120.231 120.231 122.189 -1.958 17825 837 1 3 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.993 0.118 17825 838 1 3 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.273 -0.196 17825 839 1 3 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.544 -0.428 17825 840 1 3 . 1 1 42 42 ALA H H 42 8.238 8.238 8.215 0.023 17825 841 1 3 . 1 1 43 43 GLU N N 43 117.279 117.279 117.950 -0.671 17825 842 1 3 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.066 -0.024 17825 843 1 3 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.252 0.500 17825 844 1 3 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.193 0.073 17825 845 1 3 . 1 1 43 43 GLU H H 43 8.523 8.523 8.590 -0.067 17825 846 1 3 . 1 1 44 44 LYS N N 44 119.444 119.444 120.629 -1.185 17825 847 1 3 . 1 1 44 44 LYS HA H 44 3.951 3.951 3.962 -0.011 17825 848 1 3 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.469 -0.019 17825 849 1 3 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.275 -0.669 17825 850 1 3 . 1 1 44 44 LYS H H 44 7.356 7.356 7.814 -0.458 17825 851 1 3 . 1 1 45 45 LYS N N 45 119.401 119.401 118.642 0.759 17825 852 1 3 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.150 -0.550 17825 853 1 3 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.400 -2.127 17825 854 1 3 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.662 -2.280 17825 855 1 3 . 1 1 45 45 LYS H H 45 7.584 7.584 7.967 -0.383 17825 856 1 3 . 1 1 46 46 PHE N N 46 121.408 121.408 121.387 0.021 17825 857 1 3 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.248 -0.317 17825 858 1 3 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.454 0.108 17825 859 1 3 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.009 0.007 17825 860 1 3 . 1 1 46 46 PHE H H 46 9.323 9.323 8.151 1.172 17825 861 1 3 . 1 1 47 47 LYS N N 47 119.512 119.512 119.040 0.472 17825 862 1 3 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.829 0.084 17825 863 1 3 . 1 1 47 47 LYS CA C 47 59.350 59.350 60.104 -0.754 17825 864 1 3 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.395 -0.510 17825 865 1 3 . 1 1 47 47 LYS H H 47 8.147 8.147 8.250 -0.103 17825 866 1 3 . 1 1 48 48 GLU N N 48 119.665 119.665 119.462 0.203 17825 867 1 3 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.377 -0.279 17825 868 1 3 . 1 1 48 48 GLU CA C 48 58.993 58.993 58.830 0.163 17825 869 1 3 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.372 0.216 17825 870 1 3 . 1 1 48 48 GLU H H 48 7.540 7.540 8.331 -0.791 17825 871 1 3 . 1 1 49 49 VAL N N 49 120.333 120.333 121.131 -0.798 17825 872 1 3 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.834 -0.368 17825 873 1 3 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.458 0.162 17825 874 1 3 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.955 -0.164 17825 875 1 3 . 1 1 49 49 VAL H H 49 7.727 7.727 7.867 -0.140 17825 876 1 3 . 1 1 50 50 ALA N N 50 122.082 122.082 121.911 0.171 17825 877 1 3 . 1 1 50 50 ALA HA H 50 3.941 3.941 4.082 -0.141 17825 878 1 3 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.487 -0.390 17825 879 1 3 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.027 -0.153 17825 880 1 3 . 1 1 50 50 ALA H H 50 8.070 8.070 7.834 0.236 17825 881 1 3 . 1 1 51 51 GLU N N 51 119.977 119.977 118.064 1.913 17825 882 1 3 . 1 1 51 51 GLU HA H 51 3.819 3.819 4.022 -0.203 17825 883 1 3 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.926 -0.235 17825 884 1 3 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.473 -0.107 17825 885 1 3 . 1 1 51 51 GLU H H 51 7.888 7.888 8.230 -0.342 17825 886 1 3 . 1 1 52 52 ALA N N 52 119.318 119.318 122.142 -2.824 17825 887 1 3 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.167 0.172 17825 888 1 3 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.683 -2.047 17825 889 1 3 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.537 0.293 17825 890 1 3 . 1 1 52 52 ALA H H 52 7.727 7.727 7.983 -0.256 17825 891 1 3 . 1 1 53 53 TYR N N 53 116.011 116.011 119.084 -3.073 17825 892 1 3 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.154 -0.456 17825 893 1 3 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.813 -0.368 17825 894 1 3 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.278 1.116 17825 895 1 3 . 1 1 53 53 TYR H H 53 8.245 8.245 8.778 -0.533 17825 896 1 3 . 1 1 54 54 GLU N N 54 122.173 122.173 119.993 2.180 17825 897 1 3 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.204 0.139 17825 898 1 3 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.832 0.216 17825 899 1 3 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.303 -0.350 17825 900 1 3 . 1 1 54 54 GLU H H 54 8.125 8.125 7.541 0.584 17825 901 1 3 . 1 1 55 55 VAL N N 55 115.105 115.105 119.286 -4.181 17825 902 1 3 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.742 -0.314 17825 903 1 3 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.368 -0.141 17825 904 1 3 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.785 -0.009 17825 905 1 3 . 1 1 55 55 VAL H H 55 6.790 6.790 7.505 -0.715 17825 906 1 3 . 1 1 56 56 LEU N N 56 111.133 111.133 117.575 -6.442 17825 907 1 3 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.880 -0.190 17825 908 1 3 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.958 -0.699 17825 909 1 3 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.731 -0.069 17825 910 1 3 . 1 1 56 56 LEU H H 56 7.737 7.737 7.753 -0.016 17825 911 1 3 . 1 1 57 57 SER N N 57 109.014 109.014 113.119 -4.105 17825 912 1 3 . 1 1 57 57 SER HA H 57 3.960 3.960 4.316 -0.356 17825 913 1 3 . 1 1 57 57 SER CA C 57 58.594 58.594 59.993 -1.399 17825 914 1 3 . 1 1 57 57 SER CB C 57 63.191 63.191 63.447 -0.256 17825 915 1 3 . 1 1 57 57 SER H H 57 7.808 7.808 7.903 -0.095 17825 916 1 3 . 1 1 58 58 ASP N N 58 125.471 125.471 120.473 4.998 17825 917 1 3 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.654 0.149 17825 918 1 3 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.983 -0.856 17825 919 1 3 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.885 0.589 17825 920 1 3 . 1 1 58 58 ASP H H 58 7.029 7.029 7.335 -0.306 17825 921 1 3 . 1 1 59 59 LYS N N 59 125.812 125.812 127.570 -1.758 17825 922 1 3 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.935 -0.071 17825 923 1 3 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.291 0.507 17825 924 1 3 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.154 0.086 17825 925 1 3 . 1 1 59 59 LYS H H 59 8.731 8.731 8.706 0.025 17825 926 1 3 . 1 1 60 60 HIS N N 60 116.930 116.930 119.160 -2.230 17825 927 1 3 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.913 -0.330 17825 928 1 3 . 1 1 60 60 HIS CA C 60 58.451 58.451 58.690 -0.239 17825 929 1 3 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.391 -0.218 17825 930 1 3 . 1 1 60 60 HIS H H 60 8.066 8.066 7.796 0.270 17825 931 1 3 . 1 1 61 61 LYS N N 61 120.552 120.552 120.271 0.281 17825 932 1 3 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.096 -0.204 17825 933 1 3 . 1 1 61 61 LYS CA C 61 59.853 59.853 59.092 0.761 17825 934 1 3 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.861 0.988 17825 935 1 3 . 1 1 61 61 LYS H H 61 8.593 8.593 8.810 -0.217 17825 936 1 3 . 1 1 62 62 ARG N N 62 120.957 120.957 118.828 2.129 17825 937 1 3 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.118 -0.408 17825 938 1 3 . 1 1 62 62 ARG CA C 62 60.250 60.250 58.847 1.403 17825 939 1 3 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.656 -0.433 17825 940 1 3 . 1 1 62 62 ARG H H 62 9.265 9.265 8.184 1.081 17825 941 1 3 . 1 1 63 63 GLU N N 63 117.661 117.661 120.158 -2.497 17825 942 1 3 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.151 0.002 17825 943 1 3 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.283 -0.088 17825 944 1 3 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.529 -0.628 17825 945 1 3 . 1 1 63 63 GLU H H 63 7.562 7.562 8.028 -0.466 17825 946 1 3 . 1 1 64 64 ILE N N 64 119.447 119.447 120.567 -1.120 17825 947 1 3 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.822 0.020 17825 948 1 3 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.474 0.427 17825 949 1 3 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.154 0.373 17825 950 1 3 . 1 1 64 64 ILE H H 64 7.597 7.597 8.308 -0.711 17825 951 1 3 . 1 1 65 65 TYR N N 65 122.673 122.673 121.067 1.606 17825 952 1 3 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.051 0.071 17825 953 1 3 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.435 -1.506 17825 954 1 3 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.487 0.388 17825 955 1 3 . 1 1 65 65 TYR H H 65 8.989 8.989 8.801 0.188 17825 956 1 3 . 1 1 66 66 ASP N N 66 121.011 121.011 118.537 2.474 17825 957 1 3 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.416 -0.068 17825 958 1 3 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.578 -1.019 17825 959 1 3 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.139 -1.548 17825 960 1 3 . 1 1 66 66 ASP H H 66 9.331 9.331 7.976 1.355 17825 961 1 3 . 1 1 67 67 ARG N N 67 117.684 117.684 117.783 -0.099 17825 962 1 3 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.280 -0.195 17825 963 1 3 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.327 -0.818 17825 964 1 3 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.566 0.992 17825 965 1 3 . 1 1 67 67 ARG H H 67 7.452 7.452 7.851 -0.399 17825 966 1 3 . 1 1 68 68 TYR N N 68 115.660 115.660 120.579 -4.919 17825 967 1 3 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.876 -0.106 17825 968 1 3 . 1 1 68 68 TYR CA C 68 57.431 57.431 57.641 -0.210 17825 969 1 3 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.032 1.599 17825 970 1 3 . 1 1 68 68 TYR H H 68 8.712 8.712 8.733 -0.021 17825 971 1 3 . 1 1 69 69 GLY N N 69 109.947 109.947 108.946 1.001 17825 972 1 3 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.187 -1.559 17825 973 1 3 . 1 1 69 69 GLY H H 69 8.311 8.311 7.784 0.527 17825 974 1 3 . 1 1 70 70 ARG N N 70 120.184 120.184 119.542 0.642 17825 975 1 3 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.108 0.060 17825 976 1 3 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.479 2.345 17825 977 1 3 . 1 1 70 70 ARG CB C 70 30.187 30.187 30.023 0.164 17825 978 1 3 . 1 1 70 70 ARG H H 70 8.756 8.756 8.261 0.495 17825 979 1 4 . 1 1 3 3 SER N N 3 115.996 115.996 116.103 -0.107 17825 980 1 4 . 1 1 3 3 SER HA H 3 4.428 4.428 4.296 0.132 17825 981 1 4 . 1 1 3 3 SER CA C 3 56.636 56.636 59.595 -2.959 17825 982 1 4 . 1 1 3 3 SER CB C 3 64.556 64.556 63.111 1.444 17825 983 1 4 . 1 1 3 3 SER H H 3 8.840 8.840 8.798 0.042 17825 984 1 4 . 1 1 4 4 TYR N N 4 119.562 119.562 121.008 -1.446 17825 985 1 4 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.211 0.259 17825 986 1 4 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.661 -2.697 17825 987 1 4 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.407 -0.203 17825 988 1 4 . 1 1 4 4 TYR H H 4 8.255 8.255 7.988 0.267 17825 989 1 4 . 1 1 5 5 TYR N N 5 114.704 114.704 120.554 -5.850 17825 990 1 4 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.362 -0.420 17825 991 1 4 . 1 1 5 5 TYR CA C 5 61.713 61.713 61.146 0.567 17825 992 1 4 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.543 -1.560 17825 993 1 4 . 1 1 5 5 TYR H H 5 7.137 7.137 8.077 -0.940 17825 994 1 4 . 1 1 6 6 GLU N N 6 119.884 119.884 117.162 2.722 17825 995 1 4 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.152 0.108 17825 996 1 4 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.746 -0.267 17825 997 1 4 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.561 0.095 17825 998 1 4 . 1 1 6 6 GLU H H 6 7.622 7.622 7.756 -0.134 17825 999 1 4 . 1 1 7 7 ILE N N 7 120.890 120.890 114.639 6.251 17825 1000 1 4 . 1 1 7 7 ILE HA H 7 3.740 3.740 4.041 -0.301 17825 1001 1 4 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.160 0.726 17825 1002 1 4 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.043 -0.017 17825 1003 1 4 . 1 1 7 7 ILE H H 7 8.174 8.174 7.338 0.836 17825 1004 1 4 . 1 1 8 8 LEU N N 8 115.091 115.091 119.826 -4.735 17825 1005 1 4 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.377 -0.101 17825 1006 1 4 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.809 -2.147 17825 1007 1 4 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.341 -2.475 17825 1008 1 4 . 1 1 8 8 LEU H H 8 7.039 7.039 8.119 -1.080 17825 1009 1 4 . 1 1 9 9 ASP N N 9 119.283 119.283 111.576 7.707 17825 1010 1 4 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.378 -0.070 17825 1011 1 4 . 1 1 9 9 ASP CA C 9 54.315 54.315 53.879 0.436 17825 1012 1 4 . 1 1 9 9 ASP CB C 9 39.506 39.506 41.771 -2.265 17825 1013 1 4 . 1 1 9 9 ASP H H 9 7.997 7.997 8.184 -0.187 17825 1014 1 4 . 1 1 10 10 VAL N N 10 111.344 111.344 115.072 -3.728 17825 1015 1 4 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.457 0.499 17825 1016 1 4 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.081 -1.295 17825 1017 1 4 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.297 0.369 17825 1018 1 4 . 1 1 10 10 VAL H H 10 8.115 8.115 7.518 0.597 17825 1019 1 4 . 1 1 11 11 PRO HA H 11 3.718 3.718 5.065 -1.347 17825 1020 1 4 . 1 1 12 12 ARG N N 12 118.354 118.354 119.004 -0.650 17825 1021 1 4 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.093 0.435 17825 1022 1 4 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.022 -0.376 17825 1023 1 4 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.495 -0.249 17825 1024 1 4 . 1 1 12 12 ARG H H 12 8.291 8.291 8.679 -0.388 17825 1025 1 4 . 1 1 13 13 SER N N 13 107.420 107.420 115.124 -7.704 17825 1026 1 4 . 1 1 13 13 SER HA H 13 4.285 4.285 4.289 -0.004 17825 1027 1 4 . 1 1 13 13 SER CA C 13 56.468 56.468 59.441 -2.973 17825 1028 1 4 . 1 1 13 13 SER CB C 13 62.713 62.713 63.211 -0.498 17825 1029 1 4 . 1 1 13 13 SER H H 13 7.181 7.181 7.956 -0.775 17825 1030 1 4 . 1 1 14 14 ALA N N 14 124.202 124.202 124.127 0.075 17825 1031 1 4 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.404 -0.078 17825 1032 1 4 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.625 0.945 17825 1033 1 4 . 1 1 14 14 ALA CB C 14 20.312 20.312 20.070 0.242 17825 1034 1 4 . 1 1 14 14 ALA H H 14 7.631 7.631 7.531 0.100 17825 1035 1 4 . 1 1 15 15 SER N N 15 118.770 118.770 117.688 1.082 17825 1036 1 4 . 1 1 15 15 SER HA H 15 4.675 4.675 4.288 0.387 17825 1037 1 4 . 1 1 15 15 SER CA C 15 56.381 56.381 57.785 -1.404 17825 1038 1 4 . 1 1 15 15 SER CB C 15 65.323 65.323 64.160 1.163 17825 1039 1 4 . 1 1 15 15 SER H H 15 9.295 9.295 8.301 0.994 17825 1040 1 4 . 1 1 16 16 ALA N N 16 122.893 122.893 125.315 -2.422 17825 1041 1 4 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.000 0.144 17825 1042 1 4 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.412 -0.119 17825 1043 1 4 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.242 0.063 17825 1044 1 4 . 1 1 16 16 ALA H H 16 9.025 9.025 8.824 0.201 17825 1045 1 4 . 1 1 17 17 ASP N N 17 118.305 118.305 117.472 0.833 17825 1046 1 4 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.358 0.147 17825 1047 1 4 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.871 -0.702 17825 1048 1 4 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.046 0.676 17825 1049 1 4 . 1 1 17 17 ASP H H 17 8.403 8.403 8.661 -0.258 17825 1050 1 4 . 1 1 18 18 ASP N N 18 121.474 121.474 120.731 0.743 17825 1051 1 4 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.420 -0.011 17825 1052 1 4 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.205 -0.125 17825 1053 1 4 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.947 -0.748 17825 1054 1 4 . 1 1 18 18 ASP H H 18 8.062 8.062 7.758 0.304 17825 1055 1 4 . 1 1 19 19 ILE N N 19 122.227 122.227 120.514 1.713 17825 1056 1 4 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.716 -0.063 17825 1057 1 4 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.416 0.773 17825 1058 1 4 . 1 1 19 19 ILE CB C 19 37.809 37.809 37.955 -0.146 17825 1059 1 4 . 1 1 19 19 ILE H H 19 8.181 8.181 7.563 0.618 17825 1060 1 4 . 1 1 20 20 LYS N N 20 120.936 120.936 119.903 1.033 17825 1061 1 4 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.862 0.339 17825 1062 1 4 . 1 1 20 20 LYS CA C 20 60.395 60.395 60.280 0.115 17825 1063 1 4 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.111 0.328 17825 1064 1 4 . 1 1 20 20 LYS H H 20 8.035 8.035 8.034 0.001 17825 1065 1 4 . 1 1 21 21 LYS N N 21 118.610 118.610 119.472 -0.862 17825 1066 1 4 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.081 -0.114 17825 1067 1 4 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.480 1.226 17825 1068 1 4 . 1 1 21 21 LYS CB C 21 32.578 32.578 32.005 0.572 17825 1069 1 4 . 1 1 21 21 LYS H H 21 8.204 8.204 7.814 0.390 17825 1070 1 4 . 1 1 22 22 ALA N N 22 122.873 122.873 122.322 0.551 17825 1071 1 4 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.044 0.131 17825 1072 1 4 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.013 -0.218 17825 1073 1 4 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.254 1.548 17825 1074 1 4 . 1 1 22 22 ALA H H 22 8.091 8.091 7.728 0.363 17825 1075 1 4 . 1 1 23 23 TYR N N 23 118.422 118.422 120.173 -1.751 17825 1076 1 4 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.068 -0.119 17825 1077 1 4 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.360 -0.910 17825 1078 1 4 . 1 1 23 23 TYR CB C 23 38.541 38.541 38.133 0.408 17825 1079 1 4 . 1 1 23 23 TYR H H 23 8.527 8.527 8.217 0.310 17825 1080 1 4 . 1 1 24 24 ARG N N 24 117.379 117.379 119.110 -1.731 17825 1081 1 4 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.451 0.011 17825 1082 1 4 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.730 -0.808 17825 1083 1 4 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.045 -0.499 17825 1084 1 4 . 1 1 24 24 ARG H H 24 7.878 7.878 8.142 -0.264 17825 1085 1 4 . 1 1 25 25 ARG N N 25 117.097 117.097 118.998 -1.901 17825 1086 1 4 . 1 1 25 25 ARG HA H 25 4.046 4.046 4.048 -0.002 17825 1087 1 4 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.056 0.329 17825 1088 1 4 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.658 0.774 17825 1089 1 4 . 1 1 25 25 ARG H H 25 7.612 7.612 8.557 -0.945 17825 1090 1 4 . 1 1 26 26 LYS N N 26 120.499 120.499 120.592 -0.093 17825 1091 1 4 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.097 0.110 17825 1092 1 4 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.945 -1.783 17825 1093 1 4 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.592 0.523 17825 1094 1 4 . 1 1 26 26 LYS H H 26 8.460 8.460 7.726 0.734 17825 1095 1 4 . 1 1 27 27 ALA N N 27 122.515 122.515 122.704 -0.189 17825 1096 1 4 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.004 -0.039 17825 1097 1 4 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.849 -0.207 17825 1098 1 4 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.222 -0.925 17825 1099 1 4 . 1 1 27 27 ALA H H 27 9.009 9.009 8.078 0.931 17825 1100 1 4 . 1 1 28 28 LEU N N 28 116.108 116.108 118.519 -2.411 17825 1101 1 4 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.260 -0.120 17825 1102 1 4 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.786 -0.970 17825 1103 1 4 . 1 1 28 28 LEU CB C 28 41.855 41.855 42.025 -0.170 17825 1104 1 4 . 1 1 28 28 LEU H H 28 7.149 7.149 8.054 -0.905 17825 1105 1 4 . 1 1 29 29 GLN N N 29 118.295 118.295 119.396 -1.101 17825 1106 1 4 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.937 -0.211 17825 1107 1 4 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.368 -0.174 17825 1108 1 4 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.488 -0.356 17825 1109 1 4 . 1 1 29 29 GLN H H 29 7.552 7.552 7.647 -0.095 17825 1110 1 4 . 1 1 30 30 TRP N N 30 114.410 114.410 114.959 -0.549 17825 1111 1 4 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.692 0.419 17825 1112 1 4 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.033 -0.720 17825 1113 1 4 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.807 0.232 17825 1114 1 4 . 1 1 30 30 TRP H H 30 7.713 7.713 7.221 0.492 17825 1115 1 4 . 1 1 31 31 HIS N N 31 121.533 121.533 119.439 2.094 17825 1116 1 4 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.664 -0.698 17825 1117 1 4 . 1 1 31 31 HIS CA C 31 56.612 56.612 54.588 2.024 17825 1118 1 4 . 1 1 31 31 HIS CB C 31 31.108 31.108 30.938 0.170 17825 1119 1 4 . 1 1 31 31 HIS H H 31 7.299 7.299 7.250 0.049 17825 1120 1 4 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.222 -0.130 17825 1121 1 4 . 1 1 33 33 ASP N N 33 120.057 120.057 117.550 2.507 17825 1122 1 4 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.468 0.003 17825 1123 1 4 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.460 0.074 17825 1124 1 4 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.497 -0.666 17825 1125 1 4 . 1 1 33 33 ASP H H 33 10.765 10.765 8.575 2.190 17825 1126 1 4 . 1 1 34 34 LYS N N 34 116.570 116.570 116.601 -0.031 17825 1127 1 4 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.570 -0.122 17825 1128 1 4 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.502 -0.424 17825 1129 1 4 . 1 1 34 34 LYS CB C 34 32.455 32.455 33.246 -0.791 17825 1130 1 4 . 1 1 34 34 LYS H H 34 7.842 7.842 8.053 -0.211 17825 1131 1 4 . 1 1 35 35 ASN N N 35 118.970 118.970 119.273 -0.303 17825 1132 1 4 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.942 0.349 17825 1133 1 4 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.447 1.574 17825 1134 1 4 . 1 1 35 35 ASN CB C 35 42.197 42.197 40.055 2.142 17825 1135 1 4 . 1 1 35 35 ASN H H 35 7.588 7.588 7.335 0.253 17825 1136 1 4 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.638 -0.287 17825 1137 1 4 . 1 1 37 37 ASP N N 37 116.874 116.874 115.687 1.187 17825 1138 1 4 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.640 0.137 17825 1139 1 4 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.917 -0.880 17825 1140 1 4 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.049 -0.237 17825 1141 1 4 . 1 1 37 37 ASP H H 37 8.521 8.521 8.515 0.005 17825 1142 1 4 . 1 1 38 38 ASN N N 38 120.484 120.484 119.055 1.429 17825 1143 1 4 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.916 0.192 17825 1144 1 4 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.004 -1.224 17825 1145 1 4 . 1 1 38 38 ASN CB C 38 38.694 38.694 39.005 -0.311 17825 1146 1 4 . 1 1 38 38 ASN H H 38 7.901 7.901 8.317 -0.416 17825 1147 1 4 . 1 1 39 39 LYS N N 39 121.973 121.973 123.312 -1.339 17825 1148 1 4 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.384 -0.365 17825 1149 1 4 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.631 3.092 17825 1150 1 4 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.864 0.406 17825 1151 1 4 . 1 1 39 39 LYS H H 39 8.362 8.362 8.394 -0.032 17825 1152 1 4 . 1 1 40 40 GLU N N 40 119.447 119.447 122.197 -2.750 17825 1153 1 4 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.217 -0.112 17825 1154 1 4 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.460 0.352 17825 1155 1 4 . 1 1 40 40 GLU CB C 40 28.577 28.577 28.742 -0.165 17825 1156 1 4 . 1 1 40 40 GLU H H 40 8.746 8.746 8.715 0.031 17825 1157 1 4 . 1 1 41 41 PHE N N 41 121.498 121.498 116.999 4.499 17825 1158 1 4 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.139 0.032 17825 1159 1 4 . 1 1 41 41 PHE CA C 41 60.572 60.572 60.552 0.020 17825 1160 1 4 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.083 1.417 17825 1161 1 4 . 1 1 41 41 PHE H H 41 8.273 8.273 7.969 0.304 17825 1162 1 4 . 1 1 42 42 ALA N N 42 120.231 120.231 122.508 -2.277 17825 1163 1 4 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.943 0.168 17825 1164 1 4 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.436 -0.360 17825 1165 1 4 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.506 -0.390 17825 1166 1 4 . 1 1 42 42 ALA H H 42 8.238 8.238 7.848 0.390 17825 1167 1 4 . 1 1 43 43 GLU N N 43 117.279 117.279 117.590 -0.311 17825 1168 1 4 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.004 0.038 17825 1169 1 4 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.998 0.754 17825 1170 1 4 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.078 0.188 17825 1171 1 4 . 1 1 43 43 GLU H H 43 8.523 8.523 8.680 -0.157 17825 1172 1 4 . 1 1 44 44 LYS N N 44 119.444 119.444 120.731 -1.287 17825 1173 1 4 . 1 1 44 44 LYS HA H 44 3.951 3.951 3.935 0.016 17825 1174 1 4 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.924 -0.474 17825 1175 1 4 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.371 -0.765 17825 1176 1 4 . 1 1 44 44 LYS H H 44 7.356 7.356 7.701 -0.345 17825 1177 1 4 . 1 1 45 45 LYS N N 45 119.401 119.401 118.425 0.976 17825 1178 1 4 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.032 -0.432 17825 1179 1 4 . 1 1 45 45 LYS CA C 45 56.273 56.273 57.864 -1.591 17825 1180 1 4 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.292 -1.910 17825 1181 1 4 . 1 1 45 45 LYS H H 45 7.584 7.584 8.041 -0.457 17825 1182 1 4 . 1 1 46 46 PHE N N 46 121.408 121.408 121.861 -0.453 17825 1183 1 4 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.114 -0.183 17825 1184 1 4 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.698 -0.136 17825 1185 1 4 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.113 -0.097 17825 1186 1 4 . 1 1 46 46 PHE H H 46 9.323 9.323 8.628 0.695 17825 1187 1 4 . 1 1 47 47 LYS N N 47 119.512 119.512 119.805 -0.293 17825 1188 1 4 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.921 -0.008 17825 1189 1 4 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.933 -0.583 17825 1190 1 4 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.322 -0.436 17825 1191 1 4 . 1 1 47 47 LYS H H 47 8.147 8.147 8.393 -0.246 17825 1192 1 4 . 1 1 48 48 GLU N N 48 119.665 119.665 119.539 0.126 17825 1193 1 4 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.025 0.073 17825 1194 1 4 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.319 -0.327 17825 1195 1 4 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.827 -0.239 17825 1196 1 4 . 1 1 48 48 GLU H H 48 7.540 7.540 8.036 -0.496 17825 1197 1 4 . 1 1 49 49 VAL N N 49 120.333 120.333 120.149 0.184 17825 1198 1 4 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.811 -0.345 17825 1199 1 4 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.772 -0.151 17825 1200 1 4 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.898 -0.107 17825 1201 1 4 . 1 1 49 49 VAL H H 49 7.727 7.727 8.360 -0.633 17825 1202 1 4 . 1 1 50 50 ALA N N 50 122.082 122.082 122.621 -0.539 17825 1203 1 4 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.889 0.052 17825 1204 1 4 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.589 -0.492 17825 1205 1 4 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.208 -0.334 17825 1206 1 4 . 1 1 50 50 ALA H H 50 8.070 8.070 7.752 0.318 17825 1207 1 4 . 1 1 51 51 GLU N N 51 119.977 119.977 117.933 2.044 17825 1208 1 4 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.983 -0.164 17825 1209 1 4 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.823 -0.132 17825 1210 1 4 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.451 -0.085 17825 1211 1 4 . 1 1 51 51 GLU H H 51 7.888 7.888 8.009 -0.121 17825 1212 1 4 . 1 1 52 52 ALA N N 52 119.318 119.318 122.378 -3.060 17825 1213 1 4 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.130 0.209 17825 1214 1 4 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.676 -2.040 17825 1215 1 4 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.456 0.374 17825 1216 1 4 . 1 1 52 52 ALA H H 52 7.727 7.727 8.036 -0.309 17825 1217 1 4 . 1 1 53 53 TYR N N 53 116.011 116.011 118.347 -2.336 17825 1218 1 4 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.057 -0.359 17825 1219 1 4 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.492 -0.047 17825 1220 1 4 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.009 1.385 17825 1221 1 4 . 1 1 53 53 TYR H H 53 8.245 8.245 8.844 -0.599 17825 1222 1 4 . 1 1 54 54 GLU N N 54 122.173 122.173 119.768 2.405 17825 1223 1 4 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.203 0.140 17825 1224 1 4 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.302 0.746 17825 1225 1 4 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.618 0.335 17825 1226 1 4 . 1 1 54 54 GLU H H 54 8.125 8.125 7.380 0.745 17825 1227 1 4 . 1 1 55 55 VAL N N 55 115.105 115.105 119.091 -3.986 17825 1228 1 4 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.696 -0.268 17825 1229 1 4 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.586 -0.359 17825 1230 1 4 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.627 0.149 17825 1231 1 4 . 1 1 55 55 VAL H H 55 6.790 6.790 7.745 -0.955 17825 1232 1 4 . 1 1 56 56 LEU N N 56 111.133 111.133 117.257 -6.124 17825 1233 1 4 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.674 0.016 17825 1234 1 4 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.713 -0.454 17825 1235 1 4 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.643 0.019 17825 1236 1 4 . 1 1 56 56 LEU H H 56 7.737 7.737 7.563 0.174 17825 1237 1 4 . 1 1 57 57 SER N N 57 109.014 109.014 112.725 -3.711 17825 1238 1 4 . 1 1 57 57 SER HA H 57 3.960 3.960 4.280 -0.320 17825 1239 1 4 . 1 1 57 57 SER CA C 57 58.594 58.594 59.866 -1.272 17825 1240 1 4 . 1 1 57 57 SER CB C 57 63.191 63.191 63.419 -0.227 17825 1241 1 4 . 1 1 57 57 SER H H 57 7.808 7.808 7.677 0.131 17825 1242 1 4 . 1 1 58 58 ASP N N 58 125.471 125.471 120.287 5.184 17825 1243 1 4 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.661 0.142 17825 1244 1 4 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.137 -1.010 17825 1245 1 4 . 1 1 58 58 ASP CB C 58 43.474 43.474 43.248 0.226 17825 1246 1 4 . 1 1 58 58 ASP H H 58 7.029 7.029 7.361 -0.332 17825 1247 1 4 . 1 1 59 59 LYS N N 59 125.812 125.812 124.956 0.856 17825 1248 1 4 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.940 -0.076 17825 1249 1 4 . 1 1 59 59 LYS CA C 59 59.798 59.798 58.877 0.921 17825 1250 1 4 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.132 0.108 17825 1251 1 4 . 1 1 59 59 LYS H H 59 8.731 8.731 8.708 0.023 17825 1252 1 4 . 1 1 60 60 HIS N N 60 116.930 116.930 118.967 -2.037 17825 1253 1 4 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.494 0.089 17825 1254 1 4 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.282 -0.831 17825 1255 1 4 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.742 -0.569 17825 1256 1 4 . 1 1 60 60 HIS H H 60 8.066 8.066 7.576 0.490 17825 1257 1 4 . 1 1 61 61 LYS N N 61 120.552 120.552 119.648 0.904 17825 1258 1 4 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.062 -0.170 17825 1259 1 4 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.881 0.972 17825 1260 1 4 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.787 1.063 17825 1261 1 4 . 1 1 61 61 LYS H H 61 8.593 8.593 9.038 -0.445 17825 1262 1 4 . 1 1 62 62 ARG N N 62 120.957 120.957 118.895 2.062 17825 1263 1 4 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.153 -0.443 17825 1264 1 4 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.809 0.440 17825 1265 1 4 . 1 1 62 62 ARG CB C 62 29.223 29.223 30.295 -1.072 17825 1266 1 4 . 1 1 62 62 ARG H H 62 9.265 9.265 8.008 1.257 17825 1267 1 4 . 1 1 63 63 GLU N N 63 117.661 117.661 119.826 -2.165 17825 1268 1 4 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.191 -0.038 17825 1269 1 4 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.036 0.159 17825 1270 1 4 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.245 -0.344 17825 1271 1 4 . 1 1 63 63 GLU H H 63 7.562 7.562 7.923 -0.361 17825 1272 1 4 . 1 1 64 64 ILE N N 64 119.447 119.447 121.617 -2.170 17825 1273 1 4 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.838 0.004 17825 1274 1 4 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.991 -0.090 17825 1275 1 4 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.526 0.001 17825 1276 1 4 . 1 1 64 64 ILE H H 64 7.597 7.597 8.318 -0.721 17825 1277 1 4 . 1 1 65 65 TYR N N 65 122.673 122.673 120.985 1.688 17825 1278 1 4 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.068 0.054 17825 1279 1 4 . 1 1 65 65 TYR CA C 65 60.929 60.929 61.962 -1.033 17825 1280 1 4 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.520 0.354 17825 1281 1 4 . 1 1 65 65 TYR H H 65 8.989 8.989 8.562 0.427 17825 1282 1 4 . 1 1 66 66 ASP N N 66 121.011 121.011 118.110 2.901 17825 1283 1 4 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.268 0.080 17825 1284 1 4 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.404 -0.846 17825 1285 1 4 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.280 -1.689 17825 1286 1 4 . 1 1 66 66 ASP H H 66 9.331 9.331 7.884 1.447 17825 1287 1 4 . 1 1 67 67 ARG N N 67 117.684 117.684 117.790 -0.106 17825 1288 1 4 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.153 -0.068 17825 1289 1 4 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.712 -1.203 17825 1290 1 4 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.276 1.282 17825 1291 1 4 . 1 1 67 67 ARG H H 67 7.452 7.452 8.360 -0.908 17825 1292 1 4 . 1 1 68 68 TYR N N 68 115.660 115.660 120.312 -4.652 17825 1293 1 4 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.569 0.201 17825 1294 1 4 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.808 -1.377 17825 1295 1 4 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.151 1.480 17825 1296 1 4 . 1 1 68 68 TYR H H 68 8.712 8.712 8.496 0.216 17825 1297 1 4 . 1 1 69 69 GLY N N 69 109.947 109.947 108.746 1.201 17825 1298 1 4 . 1 1 69 69 GLY CA C 69 44.628 44.628 45.972 -1.344 17825 1299 1 4 . 1 1 69 69 GLY H H 69 8.311 8.311 7.647 0.664 17825 1300 1 4 . 1 1 70 70 ARG N N 70 120.184 120.184 119.555 0.629 17825 1301 1 4 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.120 0.048 17825 1302 1 4 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.305 2.519 17825 1303 1 4 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.875 0.312 17825 1304 1 4 . 1 1 70 70 ARG H H 70 8.756 8.756 7.614 1.142 17825 1305 1 5 . 1 1 3 3 SER N N 3 115.996 115.996 117.089 -1.093 17825 1306 1 5 . 1 1 3 3 SER HA H 3 4.428 4.428 4.257 0.171 17825 1307 1 5 . 1 1 3 3 SER CA C 3 56.636 56.636 60.679 -4.043 17825 1308 1 5 . 1 1 3 3 SER CB C 3 64.556 64.556 63.228 1.328 17825 1309 1 5 . 1 1 3 3 SER H H 3 8.840 8.840 8.748 0.092 17825 1310 1 5 . 1 1 4 4 TYR N N 4 119.562 119.562 120.697 -1.135 17825 1311 1 5 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.343 0.127 17825 1312 1 5 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.675 -2.711 17825 1313 1 5 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.051 0.152 17825 1314 1 5 . 1 1 4 4 TYR H H 4 8.255 8.255 8.107 0.148 17825 1315 1 5 . 1 1 5 5 TYR N N 5 114.704 114.704 120.465 -5.761 17825 1316 1 5 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.452 -0.510 17825 1317 1 5 . 1 1 5 5 TYR CA C 5 61.713 61.713 60.947 0.766 17825 1318 1 5 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.312 -1.329 17825 1319 1 5 . 1 1 5 5 TYR H H 5 7.137 7.137 8.366 -1.229 17825 1320 1 5 . 1 1 6 6 GLU N N 6 119.884 119.884 116.844 3.040 17825 1321 1 5 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.162 0.098 17825 1322 1 5 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.917 -0.438 17825 1323 1 5 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.375 0.281 17825 1324 1 5 . 1 1 6 6 GLU H H 6 7.622 7.622 7.746 -0.124 17825 1325 1 5 . 1 1 7 7 ILE N N 7 120.890 120.890 115.109 5.781 17825 1326 1 5 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.979 -0.239 17825 1327 1 5 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.425 0.461 17825 1328 1 5 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.054 -0.028 17825 1329 1 5 . 1 1 7 7 ILE H H 7 8.174 8.174 7.782 0.392 17825 1330 1 5 . 1 1 8 8 LEU N N 8 115.091 115.091 119.163 -4.072 17825 1331 1 5 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.488 -0.212 17825 1332 1 5 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.747 -2.085 17825 1333 1 5 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.446 -2.580 17825 1334 1 5 . 1 1 8 8 LEU H H 8 7.039 7.039 8.072 -1.033 17825 1335 1 5 . 1 1 9 9 ASP N N 9 119.283 119.283 112.071 7.212 17825 1336 1 5 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.405 -0.097 17825 1337 1 5 . 1 1 9 9 ASP CA C 9 54.315 54.315 53.630 0.685 17825 1338 1 5 . 1 1 9 9 ASP CB C 9 39.506 39.506 41.365 -1.859 17825 1339 1 5 . 1 1 9 9 ASP H H 9 7.997 7.997 8.266 -0.269 17825 1340 1 5 . 1 1 10 10 VAL N N 10 111.344 111.344 114.243 -2.899 17825 1341 1 5 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.814 0.142 17825 1342 1 5 . 1 1 10 10 VAL CA C 10 56.786 56.786 57.919 -1.133 17825 1343 1 5 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.813 -0.147 17825 1344 1 5 . 1 1 10 10 VAL H H 10 8.115 8.115 7.537 0.578 17825 1345 1 5 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.750 -1.032 17825 1346 1 5 . 1 1 12 12 ARG N N 12 118.354 118.354 119.711 -1.357 17825 1347 1 5 . 1 1 12 12 ARG HA H 12 4.528 4.528 3.972 0.556 17825 1348 1 5 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.318 -0.672 17825 1349 1 5 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.048 0.198 17825 1350 1 5 . 1 1 12 12 ARG H H 12 8.291 8.291 8.834 -0.543 17825 1351 1 5 . 1 1 13 13 SER N N 13 107.420 107.420 114.057 -6.637 17825 1352 1 5 . 1 1 13 13 SER HA H 13 4.285 4.285 4.304 -0.019 17825 1353 1 5 . 1 1 13 13 SER CA C 13 56.468 56.468 58.599 -2.131 17825 1354 1 5 . 1 1 13 13 SER CB C 13 62.713 62.713 62.649 0.064 17825 1355 1 5 . 1 1 13 13 SER H H 13 7.181 7.181 8.054 -0.873 17825 1356 1 5 . 1 1 14 14 ALA N N 14 124.202 124.202 125.288 -1.086 17825 1357 1 5 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.292 0.034 17825 1358 1 5 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.897 0.673 17825 1359 1 5 . 1 1 14 14 ALA CB C 14 20.312 20.312 20.117 0.195 17825 1360 1 5 . 1 1 14 14 ALA H H 14 7.631 7.631 7.436 0.195 17825 1361 1 5 . 1 1 15 15 SER N N 15 118.770 118.770 118.541 0.229 17825 1362 1 5 . 1 1 15 15 SER HA H 15 4.675 4.675 4.498 0.177 17825 1363 1 5 . 1 1 15 15 SER CA C 15 56.381 56.381 56.498 -0.117 17825 1364 1 5 . 1 1 15 15 SER CB C 15 65.323 65.323 64.652 0.671 17825 1365 1 5 . 1 1 15 15 SER H H 15 9.295 9.295 8.345 0.950 17825 1366 1 5 . 1 1 16 16 ALA N N 16 122.893 122.893 125.606 -2.713 17825 1367 1 5 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.039 0.105 17825 1368 1 5 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.517 -0.224 17825 1369 1 5 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.754 -0.449 17825 1370 1 5 . 1 1 16 16 ALA H H 16 9.025 9.025 8.937 0.088 17825 1371 1 5 . 1 1 17 17 ASP N N 17 118.305 118.305 118.250 0.055 17825 1372 1 5 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.379 0.126 17825 1373 1 5 . 1 1 17 17 ASP CA C 17 57.169 57.169 58.430 -1.261 17825 1374 1 5 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.557 0.165 17825 1375 1 5 . 1 1 17 17 ASP H H 17 8.403 8.403 8.544 -0.141 17825 1376 1 5 . 1 1 18 18 ASP N N 18 121.474 121.474 120.866 0.608 17825 1377 1 5 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.419 -0.010 17825 1378 1 5 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.513 -0.433 17825 1379 1 5 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.549 -0.350 17825 1380 1 5 . 1 1 18 18 ASP H H 18 8.062 8.062 7.570 0.492 17825 1381 1 5 . 1 1 19 19 ILE N N 19 122.227 122.227 120.147 2.080 17825 1382 1 5 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.747 -0.094 17825 1383 1 5 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.907 0.282 17825 1384 1 5 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.031 -0.222 17825 1385 1 5 . 1 1 19 19 ILE H H 19 8.181 8.181 8.186 -0.005 17825 1386 1 5 . 1 1 20 20 LYS N N 20 120.936 120.936 120.751 0.185 17825 1387 1 5 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.922 0.279 17825 1388 1 5 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.275 1.120 17825 1389 1 5 . 1 1 20 20 LYS CB C 20 32.439 32.439 31.823 0.616 17825 1390 1 5 . 1 1 20 20 LYS H H 20 8.035 8.035 8.264 -0.229 17825 1391 1 5 . 1 1 21 21 LYS N N 21 118.610 118.610 119.145 -0.535 17825 1392 1 5 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.045 -0.078 17825 1393 1 5 . 1 1 21 21 LYS CA C 21 59.706 59.706 59.168 0.538 17825 1394 1 5 . 1 1 21 21 LYS CB C 21 32.578 32.578 32.163 0.415 17825 1395 1 5 . 1 1 21 21 LYS H H 21 8.204 8.204 8.121 0.083 17825 1396 1 5 . 1 1 22 22 ALA N N 22 122.873 122.873 122.568 0.305 17825 1397 1 5 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.095 0.080 17825 1398 1 5 . 1 1 22 22 ALA CA C 22 54.795 54.795 54.875 -0.080 17825 1399 1 5 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.300 1.502 17825 1400 1 5 . 1 1 22 22 ALA H H 22 8.091 8.091 7.900 0.191 17825 1401 1 5 . 1 1 23 23 TYR N N 23 118.422 118.422 120.201 -1.779 17825 1402 1 5 . 1 1 23 23 TYR HA H 23 3.949 3.949 3.922 0.027 17825 1403 1 5 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.499 -1.049 17825 1404 1 5 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.900 0.641 17825 1405 1 5 . 1 1 23 23 TYR H H 23 8.527 8.527 8.495 0.032 17825 1406 1 5 . 1 1 24 24 ARG N N 24 117.379 117.379 118.791 -1.412 17825 1407 1 5 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.422 0.040 17825 1408 1 5 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.639 -0.717 17825 1409 1 5 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.065 -0.519 17825 1410 1 5 . 1 1 24 24 ARG H H 24 7.878 7.878 8.208 -0.330 17825 1411 1 5 . 1 1 25 25 ARG N N 25 117.097 117.097 119.059 -1.962 17825 1412 1 5 . 1 1 25 25 ARG HA H 25 4.046 4.046 4.014 0.032 17825 1413 1 5 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.168 0.217 17825 1414 1 5 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.623 0.809 17825 1415 1 5 . 1 1 25 25 ARG H H 25 7.612 7.612 8.416 -0.804 17825 1416 1 5 . 1 1 26 26 LYS N N 26 120.499 120.499 120.488 0.011 17825 1417 1 5 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.167 0.040 17825 1418 1 5 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.972 -1.810 17825 1419 1 5 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.529 0.586 17825 1420 1 5 . 1 1 26 26 LYS H H 26 8.460 8.460 7.672 0.788 17825 1421 1 5 . 1 1 27 27 ALA N N 27 122.515 122.515 122.238 0.277 17825 1422 1 5 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.093 -0.128 17825 1423 1 5 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.627 0.015 17825 1424 1 5 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.026 -0.729 17825 1425 1 5 . 1 1 27 27 ALA H H 27 9.009 9.009 7.900 1.109 17825 1426 1 5 . 1 1 28 28 LEU N N 28 116.108 116.108 117.997 -1.889 17825 1427 1 5 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.969 0.171 17825 1428 1 5 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.502 -0.686 17825 1429 1 5 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.481 0.374 17825 1430 1 5 . 1 1 28 28 LEU H H 28 7.149 7.149 7.781 -0.632 17825 1431 1 5 . 1 1 29 29 GLN N N 29 118.295 118.295 119.142 -0.847 17825 1432 1 5 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.999 -0.273 17825 1433 1 5 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.602 -0.408 17825 1434 1 5 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.991 -0.859 17825 1435 1 5 . 1 1 29 29 GLN H H 29 7.552 7.552 7.882 -0.330 17825 1436 1 5 . 1 1 30 30 TRP N N 30 114.410 114.410 116.925 -2.515 17825 1437 1 5 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.790 0.321 17825 1438 1 5 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.624 -1.311 17825 1439 1 5 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.887 0.152 17825 1440 1 5 . 1 1 30 30 TRP H H 30 7.713 7.713 7.457 0.256 17825 1441 1 5 . 1 1 31 31 HIS N N 31 121.533 121.533 119.938 1.595 17825 1442 1 5 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.678 -0.712 17825 1443 1 5 . 1 1 31 31 HIS CA C 31 56.612 56.612 54.185 2.427 17825 1444 1 5 . 1 1 31 31 HIS CB C 31 31.108 31.108 32.141 -1.033 17825 1445 1 5 . 1 1 31 31 HIS H H 31 7.299 7.299 7.551 -0.252 17825 1446 1 5 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.450 -0.358 17825 1447 1 5 . 1 1 33 33 ASP N N 33 120.057 120.057 117.202 2.855 17825 1448 1 5 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.418 0.053 17825 1449 1 5 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.726 -0.192 17825 1450 1 5 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.513 -0.681 17825 1451 1 5 . 1 1 33 33 ASP H H 33 10.765 10.765 8.563 2.202 17825 1452 1 5 . 1 1 34 34 LYS N N 34 116.570 116.570 116.189 0.381 17825 1453 1 5 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.429 0.019 17825 1454 1 5 . 1 1 34 34 LYS CA C 34 54.078 54.078 56.058 -1.980 17825 1455 1 5 . 1 1 34 34 LYS CB C 34 32.455 32.455 34.087 -1.632 17825 1456 1 5 . 1 1 34 34 LYS H H 34 7.842 7.842 7.916 -0.074 17825 1457 1 5 . 1 1 35 35 ASN N N 35 118.970 118.970 120.516 -1.546 17825 1458 1 5 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.100 0.191 17825 1459 1 5 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.155 1.866 17825 1460 1 5 . 1 1 35 35 ASN CB C 35 42.197 42.197 40.080 2.117 17825 1461 1 5 . 1 1 35 35 ASN H H 35 7.588 7.588 8.342 -0.754 17825 1462 1 5 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.506 -0.155 17825 1463 1 5 . 1 1 37 37 ASP N N 37 116.874 116.874 118.514 -1.640 17825 1464 1 5 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.601 0.176 17825 1465 1 5 . 1 1 37 37 ASP CA C 37 54.037 54.037 55.184 -1.147 17825 1466 1 5 . 1 1 37 37 ASP CB C 37 40.812 40.812 40.785 0.027 17825 1467 1 5 . 1 1 37 37 ASP H H 37 8.521 8.521 8.641 -0.120 17825 1468 1 5 . 1 1 38 38 ASN N N 38 120.484 120.484 118.170 2.314 17825 1469 1 5 . 1 1 38 38 ASN HA H 38 5.108 5.108 5.027 0.081 17825 1470 1 5 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.328 -1.548 17825 1471 1 5 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.975 -0.281 17825 1472 1 5 . 1 1 38 38 ASN H H 38 7.901 7.901 8.417 -0.516 17825 1473 1 5 . 1 1 39 39 LYS N N 39 121.973 121.973 122.652 -0.679 17825 1474 1 5 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.519 -0.500 17825 1475 1 5 . 1 1 39 39 LYS CA C 39 60.723 60.723 58.168 2.555 17825 1476 1 5 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.535 -0.265 17825 1477 1 5 . 1 1 39 39 LYS H H 39 8.362 8.362 8.538 -0.176 17825 1478 1 5 . 1 1 40 40 GLU N N 40 119.447 119.447 122.257 -2.810 17825 1479 1 5 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.330 -0.225 17825 1480 1 5 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.459 0.353 17825 1481 1 5 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.124 -0.547 17825 1482 1 5 . 1 1 40 40 GLU H H 40 8.746 8.746 8.780 -0.034 17825 1483 1 5 . 1 1 41 41 PHE N N 41 121.498 121.498 117.548 3.950 17825 1484 1 5 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.269 -0.098 17825 1485 1 5 . 1 1 41 41 PHE CA C 41 60.572 60.572 60.944 -0.372 17825 1486 1 5 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.385 1.115 17825 1487 1 5 . 1 1 41 41 PHE H H 41 8.273 8.273 8.205 0.068 17825 1488 1 5 . 1 1 42 42 ALA N N 42 120.231 120.231 122.088 -1.857 17825 1489 1 5 . 1 1 42 42 ALA HA H 42 4.111 4.111 4.419 -0.308 17825 1490 1 5 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.492 -0.416 17825 1491 1 5 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.718 -0.602 17825 1492 1 5 . 1 1 42 42 ALA H H 42 8.238 8.238 8.407 -0.169 17825 1493 1 5 . 1 1 43 43 GLU N N 43 117.279 117.279 118.086 -0.807 17825 1494 1 5 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.077 -0.035 17825 1495 1 5 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.205 0.547 17825 1496 1 5 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.143 0.123 17825 1497 1 5 . 1 1 43 43 GLU H H 43 8.523 8.523 8.797 -0.274 17825 1498 1 5 . 1 1 44 44 LYS N N 44 119.444 119.444 120.510 -1.066 17825 1499 1 5 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.015 -0.064 17825 1500 1 5 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.453 -0.003 17825 1501 1 5 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.347 -0.741 17825 1502 1 5 . 1 1 44 44 LYS H H 44 7.356 7.356 8.206 -0.850 17825 1503 1 5 . 1 1 45 45 LYS N N 45 119.401 119.401 119.173 0.228 17825 1504 1 5 . 1 1 45 45 LYS HA H 45 3.600 3.600 3.904 -0.304 17825 1505 1 5 . 1 1 45 45 LYS CA C 45 56.273 56.273 57.943 -1.670 17825 1506 1 5 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.257 -1.875 17825 1507 1 5 . 1 1 45 45 LYS H H 45 7.584 7.584 7.616 -0.032 17825 1508 1 5 . 1 1 46 46 PHE N N 46 121.408 121.408 121.954 -0.546 17825 1509 1 5 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.105 -0.174 17825 1510 1 5 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.705 -0.143 17825 1511 1 5 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.189 -0.173 17825 1512 1 5 . 1 1 46 46 PHE H H 46 9.323 9.323 8.703 0.620 17825 1513 1 5 . 1 1 47 47 LYS N N 47 119.512 119.512 119.900 -0.388 17825 1514 1 5 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.941 -0.028 17825 1515 1 5 . 1 1 47 47 LYS CA C 47 59.350 59.350 60.024 -0.674 17825 1516 1 5 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.256 -0.371 17825 1517 1 5 . 1 1 47 47 LYS H H 47 8.147 8.147 8.615 -0.468 17825 1518 1 5 . 1 1 48 48 GLU N N 48 119.665 119.665 119.433 0.232 17825 1519 1 5 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.151 -0.053 17825 1520 1 5 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.366 -0.373 17825 1521 1 5 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.710 -0.122 17825 1522 1 5 . 1 1 48 48 GLU H H 48 7.540 7.540 7.832 -0.292 17825 1523 1 5 . 1 1 49 49 VAL N N 49 120.333 120.333 119.957 0.376 17825 1524 1 5 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.754 -0.288 17825 1525 1 5 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.675 -0.055 17825 1526 1 5 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.816 -0.025 17825 1527 1 5 . 1 1 49 49 VAL H H 49 7.727 7.727 8.160 -0.433 17825 1528 1 5 . 1 1 50 50 ALA N N 50 122.082 122.082 121.838 0.244 17825 1529 1 5 . 1 1 50 50 ALA HA H 50 3.941 3.941 4.100 -0.159 17825 1530 1 5 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.479 -0.382 17825 1531 1 5 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.108 -0.234 17825 1532 1 5 . 1 1 50 50 ALA H H 50 8.070 8.070 7.948 0.122 17825 1533 1 5 . 1 1 51 51 GLU N N 51 119.977 119.977 118.032 1.945 17825 1534 1 5 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.993 -0.174 17825 1535 1 5 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.889 -0.197 17825 1536 1 5 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.448 -0.082 17825 1537 1 5 . 1 1 51 51 GLU H H 51 7.888 7.888 8.379 -0.491 17825 1538 1 5 . 1 1 52 52 ALA N N 52 119.318 119.318 122.142 -2.824 17825 1539 1 5 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.078 0.261 17825 1540 1 5 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.711 -2.075 17825 1541 1 5 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.439 0.391 17825 1542 1 5 . 1 1 52 52 ALA H H 52 7.727 7.727 7.924 -0.197 17825 1543 1 5 . 1 1 53 53 TYR N N 53 116.011 116.011 118.960 -2.949 17825 1544 1 5 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.138 -0.440 17825 1545 1 5 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.748 -0.303 17825 1546 1 5 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.182 1.212 17825 1547 1 5 . 1 1 53 53 TYR H H 53 8.245 8.245 8.701 -0.456 17825 1548 1 5 . 1 1 54 54 GLU N N 54 122.173 122.173 120.130 2.043 17825 1549 1 5 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.320 0.023 17825 1550 1 5 . 1 1 54 54 GLU CA C 54 59.048 59.048 59.060 -0.012 17825 1551 1 5 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.122 -0.169 17825 1552 1 5 . 1 1 54 54 GLU H H 54 8.125 8.125 7.511 0.614 17825 1553 1 5 . 1 1 55 55 VAL N N 55 115.105 115.105 118.497 -3.392 17825 1554 1 5 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.731 -0.303 17825 1555 1 5 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.917 -0.690 17825 1556 1 5 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.780 -0.004 17825 1557 1 5 . 1 1 55 55 VAL H H 55 6.790 6.790 7.592 -0.802 17825 1558 1 5 . 1 1 56 56 LEU N N 56 111.133 111.133 120.593 -9.460 17825 1559 1 5 . 1 1 56 56 LEU HA H 56 3.690 3.690 4.086 -0.396 17825 1560 1 5 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.633 -0.374 17825 1561 1 5 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.415 0.247 17825 1562 1 5 . 1 1 56 56 LEU H H 56 7.737 7.737 8.113 -0.376 17825 1563 1 5 . 1 1 57 57 SER N N 57 109.014 109.014 113.409 -4.395 17825 1564 1 5 . 1 1 57 57 SER HA H 57 3.960 3.960 4.335 -0.375 17825 1565 1 5 . 1 1 57 57 SER CA C 57 58.594 58.594 60.942 -2.348 17825 1566 1 5 . 1 1 57 57 SER CB C 57 63.191 63.191 63.550 -0.358 17825 1567 1 5 . 1 1 57 57 SER H H 57 7.808 7.808 7.787 0.021 17825 1568 1 5 . 1 1 58 58 ASP N N 58 125.471 125.471 120.213 5.258 17825 1569 1 5 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.731 0.072 17825 1570 1 5 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.605 -0.478 17825 1571 1 5 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.818 0.656 17825 1572 1 5 . 1 1 58 58 ASP H H 58 7.029 7.029 7.298 -0.269 17825 1573 1 5 . 1 1 59 59 LYS N N 59 125.812 125.812 128.370 -2.558 17825 1574 1 5 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.954 -0.090 17825 1575 1 5 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.977 -0.179 17825 1576 1 5 . 1 1 59 59 LYS CB C 59 32.240 32.240 31.542 0.698 17825 1577 1 5 . 1 1 59 59 LYS H H 59 8.731 8.731 8.888 -0.157 17825 1578 1 5 . 1 1 60 60 HIS N N 60 116.930 116.930 119.759 -2.829 17825 1579 1 5 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.511 0.072 17825 1580 1 5 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.886 -1.435 17825 1581 1 5 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.758 -0.585 17825 1582 1 5 . 1 1 60 60 HIS H H 60 8.066 8.066 8.188 -0.122 17825 1583 1 5 . 1 1 61 61 LYS N N 61 120.552 120.552 119.403 1.149 17825 1584 1 5 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.111 -0.219 17825 1585 1 5 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.269 1.584 17825 1586 1 5 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.985 0.864 17825 1587 1 5 . 1 1 61 61 LYS H H 61 8.593 8.593 8.520 0.073 17825 1588 1 5 . 1 1 62 62 ARG N N 62 120.957 120.957 119.481 1.476 17825 1589 1 5 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.034 -0.324 17825 1590 1 5 . 1 1 62 62 ARG CA C 62 60.250 60.250 60.065 0.185 17825 1591 1 5 . 1 1 62 62 ARG CB C 62 29.223 29.223 30.208 -0.985 17825 1592 1 5 . 1 1 62 62 ARG H H 62 9.265 9.265 8.401 0.864 17825 1593 1 5 . 1 1 63 63 GLU N N 63 117.661 117.661 119.182 -1.521 17825 1594 1 5 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.135 0.018 17825 1595 1 5 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.127 0.068 17825 1596 1 5 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.099 -0.198 17825 1597 1 5 . 1 1 63 63 GLU H H 63 7.562 7.562 8.222 -0.660 17825 1598 1 5 . 1 1 64 64 ILE N N 64 119.447 119.447 121.398 -1.951 17825 1599 1 5 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.747 0.095 17825 1600 1 5 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.982 -0.081 17825 1601 1 5 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.567 -0.040 17825 1602 1 5 . 1 1 64 64 ILE H H 64 7.597 7.597 7.903 -0.306 17825 1603 1 5 . 1 1 65 65 TYR N N 65 122.673 122.673 120.701 1.972 17825 1604 1 5 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.054 0.068 17825 1605 1 5 . 1 1 65 65 TYR CA C 65 60.929 60.929 61.897 -0.968 17825 1606 1 5 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.485 0.390 17825 1607 1 5 . 1 1 65 65 TYR H H 65 8.989 8.989 8.464 0.525 17825 1608 1 5 . 1 1 66 66 ASP N N 66 121.011 121.011 119.159 1.852 17825 1609 1 5 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.385 -0.037 17825 1610 1 5 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.233 -0.674 17825 1611 1 5 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.273 -1.682 17825 1612 1 5 . 1 1 66 66 ASP H H 66 9.331 9.331 8.204 1.127 17825 1613 1 5 . 1 1 67 67 ARG N N 67 117.684 117.684 117.313 0.371 17825 1614 1 5 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.218 -0.133 17825 1615 1 5 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.468 -0.959 17825 1616 1 5 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.526 1.032 17825 1617 1 5 . 1 1 67 67 ARG H H 67 7.452 7.452 7.981 -0.529 17825 1618 1 5 . 1 1 68 68 TYR N N 68 115.660 115.660 120.363 -4.703 17825 1619 1 5 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.537 0.233 17825 1620 1 5 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.711 -1.280 17825 1621 1 5 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.005 1.626 17825 1622 1 5 . 1 1 68 68 TYR H H 68 8.712 8.712 8.496 0.216 17825 1623 1 5 . 1 1 69 69 GLY N N 69 109.947 109.947 108.592 1.355 17825 1624 1 5 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.011 -1.383 17825 1625 1 5 . 1 1 69 69 GLY H H 69 8.311 8.311 7.604 0.707 17825 1626 1 5 . 1 1 70 70 ARG N N 70 120.184 120.184 119.000 1.184 17825 1627 1 5 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.060 0.108 17825 1628 1 5 . 1 1 70 70 ARG CA C 70 58.824 58.824 55.654 3.170 17825 1629 1 5 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.372 0.815 17825 1630 1 5 . 1 1 70 70 ARG H H 70 8.756 8.756 7.774 0.982 17825 1631 1 6 . 1 1 3 3 SER N N 3 115.996 115.996 115.933 0.063 17825 1632 1 6 . 1 1 3 3 SER HA H 3 4.428 4.428 4.405 0.023 17825 1633 1 6 . 1 1 3 3 SER CA C 3 56.636 56.636 59.885 -3.249 17825 1634 1 6 . 1 1 3 3 SER CB C 3 64.556 64.556 63.357 1.199 17825 1635 1 6 . 1 1 3 3 SER H H 3 8.840 8.840 8.680 0.160 17825 1636 1 6 . 1 1 4 4 TYR N N 4 119.562 119.562 120.258 -0.696 17825 1637 1 6 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.284 0.186 17825 1638 1 6 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.552 -2.588 17825 1639 1 6 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.379 -0.175 17825 1640 1 6 . 1 1 4 4 TYR H H 4 8.255 8.255 8.064 0.191 17825 1641 1 6 . 1 1 5 5 TYR N N 5 114.704 114.704 119.960 -5.256 17825 1642 1 6 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.095 -0.153 17825 1643 1 6 . 1 1 5 5 TYR CA C 5 61.713 61.713 62.233 -0.520 17825 1644 1 6 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.462 -1.479 17825 1645 1 6 . 1 1 5 5 TYR H H 5 7.137 7.137 7.696 -0.559 17825 1646 1 6 . 1 1 6 6 GLU N N 6 119.884 119.884 117.066 2.818 17825 1647 1 6 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.165 0.095 17825 1648 1 6 . 1 1 6 6 GLU CA C 6 58.479 58.479 59.065 -0.586 17825 1649 1 6 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.367 0.289 17825 1650 1 6 . 1 1 6 6 GLU H H 6 7.622 7.622 7.768 -0.146 17825 1651 1 6 . 1 1 7 7 ILE N N 7 120.890 120.890 115.757 5.133 17825 1652 1 6 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.882 -0.142 17825 1653 1 6 . 1 1 7 7 ILE CA C 7 63.886 63.886 64.484 -0.598 17825 1654 1 6 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.165 -0.139 17825 1655 1 6 . 1 1 7 7 ILE H H 7 8.174 8.174 7.441 0.733 17825 1656 1 6 . 1 1 8 8 LEU N N 8 115.091 115.091 118.195 -3.104 17825 1657 1 6 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.272 0.004 17825 1658 1 6 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.464 -1.802 17825 1659 1 6 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.185 -1.319 17825 1660 1 6 . 1 1 8 8 LEU H H 8 7.039 7.039 8.024 -0.985 17825 1661 1 6 . 1 1 9 9 ASP N N 9 119.283 119.283 114.205 5.078 17825 1662 1 6 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.442 -0.134 17825 1663 1 6 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.405 -0.090 17825 1664 1 6 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.773 -3.267 17825 1665 1 6 . 1 1 9 9 ASP H H 9 7.997 7.997 7.689 0.308 17825 1666 1 6 . 1 1 10 10 VAL N N 10 111.344 111.344 115.974 -4.630 17825 1667 1 6 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.436 0.520 17825 1668 1 6 . 1 1 10 10 VAL CA C 10 56.786 56.786 57.464 -0.678 17825 1669 1 6 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.320 0.346 17825 1670 1 6 . 1 1 10 10 VAL H H 10 8.115 8.115 7.599 0.516 17825 1671 1 6 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.859 -1.141 17825 1672 1 6 . 1 1 12 12 ARG N N 12 118.354 118.354 117.250 1.104 17825 1673 1 6 . 1 1 12 12 ARG HA H 12 4.528 4.528 3.899 0.629 17825 1674 1 6 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.198 -0.552 17825 1675 1 6 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.309 -0.063 17825 1676 1 6 . 1 1 12 12 ARG H H 12 8.291 8.291 8.695 -0.404 17825 1677 1 6 . 1 1 13 13 SER N N 13 107.420 107.420 114.468 -7.048 17825 1678 1 6 . 1 1 13 13 SER HA H 13 4.285 4.285 4.312 -0.027 17825 1679 1 6 . 1 1 13 13 SER CA C 13 56.468 56.468 59.068 -2.600 17825 1680 1 6 . 1 1 13 13 SER CB C 13 62.713 62.713 63.068 -0.355 17825 1681 1 6 . 1 1 13 13 SER H H 13 7.181 7.181 7.970 -0.789 17825 1682 1 6 . 1 1 14 14 ALA N N 14 124.202 124.202 124.030 0.172 17825 1683 1 6 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.291 0.035 17825 1684 1 6 . 1 1 14 14 ALA CA C 14 52.570 52.570 52.039 0.531 17825 1685 1 6 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.956 0.357 17825 1686 1 6 . 1 1 14 14 ALA H H 14 7.631 7.631 7.297 0.334 17825 1687 1 6 . 1 1 15 15 SER N N 15 118.770 118.770 117.499 1.271 17825 1688 1 6 . 1 1 15 15 SER HA H 15 4.675 4.675 4.334 0.341 17825 1689 1 6 . 1 1 15 15 SER CA C 15 56.381 56.381 57.683 -1.302 17825 1690 1 6 . 1 1 15 15 SER CB C 15 65.323 65.323 64.080 1.243 17825 1691 1 6 . 1 1 15 15 SER H H 15 9.295 9.295 8.216 1.079 17825 1692 1 6 . 1 1 16 16 ALA N N 16 122.893 122.893 125.884 -2.991 17825 1693 1 6 . 1 1 16 16 ALA HA H 16 4.144 4.144 3.959 0.185 17825 1694 1 6 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.349 -0.056 17825 1695 1 6 . 1 1 16 16 ALA CB C 16 18.305 18.305 17.884 0.421 17825 1696 1 6 . 1 1 16 16 ALA H H 16 9.025 9.025 8.815 0.210 17825 1697 1 6 . 1 1 17 17 ASP N N 17 118.305 118.305 118.010 0.295 17825 1698 1 6 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.360 0.145 17825 1699 1 6 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.895 -0.726 17825 1700 1 6 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.089 0.633 17825 1701 1 6 . 1 1 17 17 ASP H H 17 8.403 8.403 8.872 -0.469 17825 1702 1 6 . 1 1 18 18 ASP N N 18 121.474 121.474 121.062 0.412 17825 1703 1 6 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.420 -0.011 17825 1704 1 6 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.217 -0.137 17825 1705 1 6 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.614 -0.415 17825 1706 1 6 . 1 1 18 18 ASP H H 18 8.062 8.062 7.777 0.285 17825 1707 1 6 . 1 1 19 19 ILE N N 19 122.227 122.227 120.856 1.371 17825 1708 1 6 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.732 -0.079 17825 1709 1 6 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.902 0.287 17825 1710 1 6 . 1 1 19 19 ILE CB C 19 37.809 37.809 37.950 -0.141 17825 1711 1 6 . 1 1 19 19 ILE H H 19 8.181 8.181 7.966 0.215 17825 1712 1 6 . 1 1 20 20 LYS N N 20 120.936 120.936 120.728 0.208 17825 1713 1 6 . 1 1 20 20 LYS HA H 20 4.201 4.201 4.019 0.182 17825 1714 1 6 . 1 1 20 20 LYS CA C 20 60.395 60.395 60.264 0.131 17825 1715 1 6 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.346 0.093 17825 1716 1 6 . 1 1 20 20 LYS H H 20 8.035 8.035 8.528 -0.493 17825 1717 1 6 . 1 1 21 21 LYS N N 21 118.610 118.610 118.888 -0.278 17825 1718 1 6 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.096 -0.129 17825 1719 1 6 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.311 1.395 17825 1720 1 6 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.898 0.680 17825 1721 1 6 . 1 1 21 21 LYS H H 21 8.204 8.204 8.129 0.075 17825 1722 1 6 . 1 1 22 22 ALA N N 22 122.873 122.873 123.212 -0.339 17825 1723 1 6 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.022 0.153 17825 1724 1 6 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.207 -0.412 17825 1725 1 6 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.223 1.579 17825 1726 1 6 . 1 1 22 22 ALA H H 22 8.091 8.091 8.695 -0.604 17825 1727 1 6 . 1 1 23 23 TYR N N 23 118.422 118.422 120.072 -1.650 17825 1728 1 6 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.049 -0.100 17825 1729 1 6 . 1 1 23 23 TYR CA C 23 60.450 60.450 60.994 -0.544 17825 1730 1 6 . 1 1 23 23 TYR CB C 23 38.541 38.541 38.012 0.529 17825 1731 1 6 . 1 1 23 23 TYR H H 23 8.527 8.527 8.433 0.094 17825 1732 1 6 . 1 1 24 24 ARG N N 24 117.379 117.379 119.566 -2.187 17825 1733 1 6 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.308 0.154 17825 1734 1 6 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.628 -0.706 17825 1735 1 6 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.962 -0.416 17825 1736 1 6 . 1 1 24 24 ARG H H 24 7.878 7.878 8.366 -0.488 17825 1737 1 6 . 1 1 25 25 ARG N N 25 117.097 117.097 119.567 -2.470 17825 1738 1 6 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.906 0.140 17825 1739 1 6 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.318 0.067 17825 1740 1 6 . 1 1 25 25 ARG CB C 25 30.432 30.432 30.067 0.365 17825 1741 1 6 . 1 1 25 25 ARG H H 25 7.612 7.612 8.229 -0.617 17825 1742 1 6 . 1 1 26 26 LYS N N 26 120.499 120.499 119.613 0.886 17825 1743 1 6 . 1 1 26 26 LYS HA H 26 4.207 4.207 3.985 0.222 17825 1744 1 6 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.582 -1.420 17825 1745 1 6 . 1 1 26 26 LYS CB C 26 33.115 33.115 31.857 1.258 17825 1746 1 6 . 1 1 26 26 LYS H H 26 8.460 8.460 8.031 0.429 17825 1747 1 6 . 1 1 27 27 ALA N N 27 122.515 122.515 121.147 1.368 17825 1748 1 6 . 1 1 27 27 ALA HA H 27 3.965 3.965 3.596 0.369 17825 1749 1 6 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.194 0.448 17825 1750 1 6 . 1 1 27 27 ALA CB C 27 17.297 17.297 17.795 -0.498 17825 1751 1 6 . 1 1 27 27 ALA H H 27 9.009 9.009 7.973 1.036 17825 1752 1 6 . 1 1 28 28 LEU N N 28 116.108 116.108 119.422 -3.314 17825 1753 1 6 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.437 0.703 17825 1754 1 6 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.353 -0.537 17825 1755 1 6 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.574 0.281 17825 1756 1 6 . 1 1 28 28 LEU H H 28 7.149 7.149 7.411 -0.262 17825 1757 1 6 . 1 1 29 29 GLN N N 29 118.295 118.295 116.945 1.350 17825 1758 1 6 . 1 1 29 29 GLN HA H 29 3.726 3.726 4.016 -0.290 17825 1759 1 6 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.486 -0.292 17825 1760 1 6 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.885 -0.753 17825 1761 1 6 . 1 1 29 29 GLN H H 29 7.552 7.552 7.609 -0.057 17825 1762 1 6 . 1 1 30 30 TRP N N 30 114.410 114.410 112.380 2.030 17825 1763 1 6 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.797 0.314 17825 1764 1 6 . 1 1 30 30 TRP CA C 30 55.313 55.313 55.630 -0.317 17825 1765 1 6 . 1 1 30 30 TRP CB C 30 30.039 30.039 30.194 -0.155 17825 1766 1 6 . 1 1 30 30 TRP H H 30 7.713 7.713 6.817 0.896 17825 1767 1 6 . 1 1 31 31 HIS N N 31 121.533 121.533 121.424 0.109 17825 1768 1 6 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.524 -0.558 17825 1769 1 6 . 1 1 31 31 HIS CA C 31 56.612 56.612 54.572 2.040 17825 1770 1 6 . 1 1 31 31 HIS CB C 31 31.108 31.108 30.480 0.628 17825 1771 1 6 . 1 1 31 31 HIS H H 31 7.299 7.299 7.069 0.230 17825 1772 1 6 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.551 -0.459 17825 1773 1 6 . 1 1 33 33 ASP N N 33 120.057 120.057 116.372 3.685 17825 1774 1 6 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.483 -0.012 17825 1775 1 6 . 1 1 33 33 ASP CA C 33 56.534 56.534 55.980 0.554 17825 1776 1 6 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.926 -1.095 17825 1777 1 6 . 1 1 33 33 ASP H H 33 10.765 10.765 8.516 2.249 17825 1778 1 6 . 1 1 34 34 LYS N N 34 116.570 116.570 116.531 0.039 17825 1779 1 6 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.523 -0.075 17825 1780 1 6 . 1 1 34 34 LYS CA C 34 54.078 54.078 55.323 -1.245 17825 1781 1 6 . 1 1 34 34 LYS CB C 34 32.455 32.455 34.285 -1.830 17825 1782 1 6 . 1 1 34 34 LYS H H 34 7.842 7.842 8.006 -0.164 17825 1783 1 6 . 1 1 35 35 ASN N N 35 118.970 118.970 120.127 -1.157 17825 1784 1 6 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.970 0.321 17825 1785 1 6 . 1 1 35 35 ASN CA C 35 52.021 52.021 51.169 0.852 17825 1786 1 6 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.621 2.576 17825 1787 1 6 . 1 1 35 35 ASN H H 35 7.588 7.588 8.192 -0.604 17825 1788 1 6 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.683 -0.332 17825 1789 1 6 . 1 1 37 37 ASP N N 37 116.874 116.874 117.293 -0.419 17825 1790 1 6 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.608 0.169 17825 1791 1 6 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.236 -0.199 17825 1792 1 6 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.292 -0.480 17825 1793 1 6 . 1 1 37 37 ASP H H 37 8.521 8.521 8.559 -0.038 17825 1794 1 6 . 1 1 38 38 ASN N N 38 120.484 120.484 119.083 1.401 17825 1795 1 6 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.873 0.235 17825 1796 1 6 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.212 -1.433 17825 1797 1 6 . 1 1 38 38 ASN CB C 38 38.694 38.694 39.068 -0.374 17825 1798 1 6 . 1 1 38 38 ASN H H 38 7.901 7.901 8.144 -0.243 17825 1799 1 6 . 1 1 39 39 LYS N N 39 121.973 121.973 123.885 -1.912 17825 1800 1 6 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.404 -0.385 17825 1801 1 6 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.514 3.208 17825 1802 1 6 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.895 0.375 17825 1803 1 6 . 1 1 39 39 LYS H H 39 8.362 8.362 8.465 -0.103 17825 1804 1 6 . 1 1 40 40 GLU N N 40 119.447 119.447 122.116 -2.669 17825 1805 1 6 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.041 0.064 17825 1806 1 6 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.700 0.112 17825 1807 1 6 . 1 1 40 40 GLU CB C 40 28.577 28.577 28.979 -0.402 17825 1808 1 6 . 1 1 40 40 GLU H H 40 8.746 8.746 8.837 -0.091 17825 1809 1 6 . 1 1 41 41 PHE N N 41 121.498 121.498 116.804 4.694 17825 1810 1 6 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.208 -0.037 17825 1811 1 6 . 1 1 41 41 PHE CA C 41 60.572 60.572 61.161 -0.589 17825 1812 1 6 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.410 1.091 17825 1813 1 6 . 1 1 41 41 PHE H H 41 8.273 8.273 8.223 0.050 17825 1814 1 6 . 1 1 42 42 ALA N N 42 120.231 120.231 122.050 -1.819 17825 1815 1 6 . 1 1 42 42 ALA HA H 42 4.111 4.111 4.190 -0.079 17825 1816 1 6 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.414 -0.338 17825 1817 1 6 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.544 -0.429 17825 1818 1 6 . 1 1 42 42 ALA H H 42 8.238 8.238 8.252 -0.014 17825 1819 1 6 . 1 1 43 43 GLU N N 43 117.279 117.279 118.016 -0.737 17825 1820 1 6 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.948 0.094 17825 1821 1 6 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.242 0.510 17825 1822 1 6 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.207 0.059 17825 1823 1 6 . 1 1 43 43 GLU H H 43 8.523 8.523 8.228 0.295 17825 1824 1 6 . 1 1 44 44 LYS N N 44 119.444 119.444 120.280 -0.836 17825 1825 1 6 . 1 1 44 44 LYS HA H 44 3.951 3.951 3.953 -0.002 17825 1826 1 6 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.880 -0.430 17825 1827 1 6 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.440 -0.834 17825 1828 1 6 . 1 1 44 44 LYS H H 44 7.356 7.356 8.169 -0.813 17825 1829 1 6 . 1 1 45 45 LYS N N 45 119.401 119.401 118.766 0.635 17825 1830 1 6 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.224 -0.624 17825 1831 1 6 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.181 -1.908 17825 1832 1 6 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.999 -2.617 17825 1833 1 6 . 1 1 45 45 LYS H H 45 7.584 7.584 8.457 -0.873 17825 1834 1 6 . 1 1 46 46 PHE N N 46 121.408 121.408 121.202 0.206 17825 1835 1 6 . 1 1 46 46 PHE HA H 46 3.931 3.931 3.202 0.729 17825 1836 1 6 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.050 0.512 17825 1837 1 6 . 1 1 46 46 PHE CB C 46 39.016 39.016 38.103 0.913 17825 1838 1 6 . 1 1 46 46 PHE H H 46 9.323 9.323 8.119 1.204 17825 1839 1 6 . 1 1 47 47 LYS N N 47 119.512 119.512 118.292 1.220 17825 1840 1 6 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.588 0.325 17825 1841 1 6 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.326 0.024 17825 1842 1 6 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.059 -0.174 17825 1843 1 6 . 1 1 47 47 LYS H H 47 8.147 8.147 8.170 -0.023 17825 1844 1 6 . 1 1 48 48 GLU N N 48 119.665 119.665 119.888 -0.223 17825 1845 1 6 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.183 -0.085 17825 1846 1 6 . 1 1 48 48 GLU CA C 48 58.993 58.993 58.919 0.074 17825 1847 1 6 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.342 0.246 17825 1848 1 6 . 1 1 48 48 GLU H H 48 7.540 7.540 8.210 -0.670 17825 1849 1 6 . 1 1 49 49 VAL N N 49 120.333 120.333 121.272 -0.939 17825 1850 1 6 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.873 -0.407 17825 1851 1 6 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.435 0.185 17825 1852 1 6 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.974 -0.183 17825 1853 1 6 . 1 1 49 49 VAL H H 49 7.727 7.727 7.830 -0.103 17825 1854 1 6 . 1 1 50 50 ALA N N 50 122.082 122.082 121.878 0.204 17825 1855 1 6 . 1 1 50 50 ALA HA H 50 3.941 3.941 4.029 -0.088 17825 1856 1 6 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.406 -0.309 17825 1857 1 6 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.003 -0.129 17825 1858 1 6 . 1 1 50 50 ALA H H 50 8.070 8.070 7.718 0.352 17825 1859 1 6 . 1 1 51 51 GLU N N 51 119.977 119.977 118.131 1.846 17825 1860 1 6 . 1 1 51 51 GLU HA H 51 3.819 3.819 4.055 -0.236 17825 1861 1 6 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.735 -0.044 17825 1862 1 6 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.509 -0.143 17825 1863 1 6 . 1 1 51 51 GLU H H 51 7.888 7.888 8.242 -0.354 17825 1864 1 6 . 1 1 52 52 ALA N N 52 119.318 119.318 122.151 -2.833 17825 1865 1 6 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.149 0.190 17825 1866 1 6 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.694 -2.058 17825 1867 1 6 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.440 0.390 17825 1868 1 6 . 1 1 52 52 ALA H H 52 7.727 7.727 7.995 -0.268 17825 1869 1 6 . 1 1 53 53 TYR N N 53 116.011 116.011 120.230 -4.219 17825 1870 1 6 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.120 -0.422 17825 1871 1 6 . 1 1 53 53 TYR CA C 53 60.445 60.445 61.392 -0.947 17825 1872 1 6 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.635 0.759 17825 1873 1 6 . 1 1 53 53 TYR H H 53 8.245 8.245 8.709 -0.464 17825 1874 1 6 . 1 1 54 54 GLU N N 54 122.173 122.173 120.186 1.987 17825 1875 1 6 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.556 -0.213 17825 1876 1 6 . 1 1 54 54 GLU CA C 54 59.048 59.048 59.235 -0.187 17825 1877 1 6 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.358 -0.405 17825 1878 1 6 . 1 1 54 54 GLU H H 54 8.125 8.125 7.784 0.341 17825 1879 1 6 . 1 1 55 55 VAL N N 55 115.105 115.105 119.034 -3.929 17825 1880 1 6 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.661 -0.233 17825 1881 1 6 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.504 -0.277 17825 1882 1 6 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.936 -0.160 17825 1883 1 6 . 1 1 55 55 VAL H H 55 6.790 6.790 7.723 -0.933 17825 1884 1 6 . 1 1 56 56 LEU N N 56 111.133 111.133 116.701 -5.568 17825 1885 1 6 . 1 1 56 56 LEU HA H 56 3.690 3.690 4.085 -0.395 17825 1886 1 6 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.392 -0.133 17825 1887 1 6 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.950 -0.288 17825 1888 1 6 . 1 1 56 56 LEU H H 56 7.737 7.737 7.572 0.165 17825 1889 1 6 . 1 1 57 57 SER N N 57 109.014 109.014 113.147 -4.133 17825 1890 1 6 . 1 1 57 57 SER HA H 57 3.960 3.960 4.262 -0.302 17825 1891 1 6 . 1 1 57 57 SER CA C 57 58.594 58.594 60.479 -1.885 17825 1892 1 6 . 1 1 57 57 SER CB C 57 63.191 63.191 63.783 -0.592 17825 1893 1 6 . 1 1 57 57 SER H H 57 7.808 7.808 7.436 0.372 17825 1894 1 6 . 1 1 58 58 ASP N N 58 125.471 125.471 120.044 5.427 17825 1895 1 6 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.791 0.012 17825 1896 1 6 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.705 -0.578 17825 1897 1 6 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.633 0.841 17825 1898 1 6 . 1 1 58 58 ASP H H 58 7.029 7.029 7.616 -0.587 17825 1899 1 6 . 1 1 59 59 LYS N N 59 125.812 125.812 126.008 -0.196 17825 1900 1 6 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.977 -0.113 17825 1901 1 6 . 1 1 59 59 LYS CA C 59 59.798 59.798 58.522 1.276 17825 1902 1 6 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.128 0.112 17825 1903 1 6 . 1 1 59 59 LYS H H 59 8.731 8.731 8.756 -0.025 17825 1904 1 6 . 1 1 60 60 HIS N N 60 116.930 116.930 118.269 -1.339 17825 1905 1 6 . 1 1 60 60 HIS HA H 60 4.583 4.583 5.013 -0.430 17825 1906 1 6 . 1 1 60 60 HIS CA C 60 58.451 58.451 58.677 -0.226 17825 1907 1 6 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.817 -0.643 17825 1908 1 6 . 1 1 60 60 HIS H H 60 8.066 8.066 7.909 0.157 17825 1909 1 6 . 1 1 61 61 LYS N N 61 120.552 120.552 120.212 0.340 17825 1910 1 6 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.135 -0.243 17825 1911 1 6 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.665 1.188 17825 1912 1 6 . 1 1 61 61 LYS CB C 61 32.850 32.850 32.220 0.630 17825 1913 1 6 . 1 1 61 61 LYS H H 61 8.593 8.593 8.454 0.139 17825 1914 1 6 . 1 1 62 62 ARG N N 62 120.957 120.957 119.094 1.863 17825 1915 1 6 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.124 -0.414 17825 1916 1 6 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.108 1.142 17825 1917 1 6 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.729 -0.506 17825 1918 1 6 . 1 1 62 62 ARG H H 62 9.265 9.265 8.301 0.964 17825 1919 1 6 . 1 1 63 63 GLU N N 63 117.661 117.661 119.982 -2.321 17825 1920 1 6 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.094 0.059 17825 1921 1 6 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.434 -0.239 17825 1922 1 6 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.410 -0.509 17825 1923 1 6 . 1 1 63 63 GLU H H 63 7.562 7.562 7.991 -0.429 17825 1924 1 6 . 1 1 64 64 ILE N N 64 119.447 119.447 120.263 -0.816 17825 1925 1 6 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.832 0.010 17825 1926 1 6 . 1 1 64 64 ILE CA C 64 63.901 63.901 64.442 -0.541 17825 1927 1 6 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.830 -0.303 17825 1928 1 6 . 1 1 64 64 ILE H H 64 7.597 7.597 7.747 -0.150 17825 1929 1 6 . 1 1 65 65 TYR N N 65 122.673 122.673 120.968 1.705 17825 1930 1 6 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.044 0.078 17825 1931 1 6 . 1 1 65 65 TYR CA C 65 60.929 60.929 61.908 -0.979 17825 1932 1 6 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.599 0.276 17825 1933 1 6 . 1 1 65 65 TYR H H 65 8.989 8.989 8.636 0.353 17825 1934 1 6 . 1 1 66 66 ASP N N 66 121.011 121.011 118.657 2.354 17825 1935 1 6 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.313 0.035 17825 1936 1 6 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.477 -0.918 17825 1937 1 6 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.163 -1.572 17825 1938 1 6 . 1 1 66 66 ASP H H 66 9.331 9.331 8.385 0.946 17825 1939 1 6 . 1 1 67 67 ARG N N 67 117.684 117.684 117.622 0.062 17825 1940 1 6 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.276 -0.191 17825 1941 1 6 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.276 -0.767 17825 1942 1 6 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.740 0.818 17825 1943 1 6 . 1 1 67 67 ARG H H 67 7.452 7.452 7.772 -0.320 17825 1944 1 6 . 1 1 68 68 TYR N N 68 115.660 115.660 120.265 -4.605 17825 1945 1 6 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.594 0.176 17825 1946 1 6 . 1 1 68 68 TYR CA C 68 57.431 57.431 57.853 -0.422 17825 1947 1 6 . 1 1 68 68 TYR CB C 68 40.631 40.631 38.824 1.807 17825 1948 1 6 . 1 1 68 68 TYR H H 68 8.712 8.712 8.441 0.271 17825 1949 1 6 . 1 1 69 69 GLY N N 69 109.947 109.947 108.496 1.451 17825 1950 1 6 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.129 -1.501 17825 1951 1 6 . 1 1 69 69 GLY H H 69 8.311 8.311 7.916 0.395 17825 1952 1 6 . 1 1 70 70 ARG N N 70 120.184 120.184 119.717 0.467 17825 1953 1 6 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.158 0.010 17825 1954 1 6 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.230 2.594 17825 1955 1 6 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.909 0.278 17825 1956 1 6 . 1 1 70 70 ARG H H 70 8.756 8.756 8.179 0.577 17825 1957 1 7 . 1 1 3 3 SER N N 3 115.996 115.996 111.984 4.012 17825 1958 1 7 . 1 1 3 3 SER HA H 3 4.428 4.428 3.531 0.897 17825 1959 1 7 . 1 1 3 3 SER CA C 3 56.636 56.636 59.147 -2.511 17825 1960 1 7 . 1 1 3 3 SER CB C 3 64.556 64.556 60.837 3.719 17825 1961 1 7 . 1 1 3 3 SER H H 3 8.840 8.840 7.583 1.257 17825 1962 1 7 . 1 1 4 4 TYR N N 4 119.562 119.562 119.276 0.286 17825 1963 1 7 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.123 0.347 17825 1964 1 7 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.126 -2.162 17825 1965 1 7 . 1 1 4 4 TYR CB C 4 37.204 37.204 36.984 0.220 17825 1966 1 7 . 1 1 4 4 TYR H H 4 8.255 8.255 7.440 0.815 17825 1967 1 7 . 1 1 5 5 TYR N N 5 114.704 114.704 115.049 -0.345 17825 1968 1 7 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.638 -0.696 17825 1969 1 7 . 1 1 5 5 TYR CA C 5 61.713 61.713 59.024 2.689 17825 1970 1 7 . 1 1 5 5 TYR CB C 5 36.983 36.983 36.800 0.183 17825 1971 1 7 . 1 1 5 5 TYR H H 5 7.137 7.137 7.409 -0.272 17825 1972 1 7 . 1 1 6 6 GLU N N 6 119.884 119.884 118.457 1.427 17825 1973 1 7 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.184 0.076 17825 1974 1 7 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.540 -0.061 17825 1975 1 7 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.925 -0.269 17825 1976 1 7 . 1 1 6 6 GLU H H 6 7.622 7.622 7.124 0.498 17825 1977 1 7 . 1 1 7 7 ILE N N 7 120.890 120.890 116.416 4.474 17825 1978 1 7 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.981 -0.241 17825 1979 1 7 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.531 0.355 17825 1980 1 7 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.110 -0.084 17825 1981 1 7 . 1 1 7 7 ILE H H 7 8.174 8.174 7.850 0.324 17825 1982 1 7 . 1 1 8 8 LEU N N 8 115.091 115.091 119.144 -4.053 17825 1983 1 7 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.311 -0.035 17825 1984 1 7 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.916 -2.254 17825 1985 1 7 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.729 -2.863 17825 1986 1 7 . 1 1 8 8 LEU H H 8 7.039 7.039 7.901 -0.862 17825 1987 1 7 . 1 1 9 9 ASP N N 9 119.283 119.283 114.254 5.029 17825 1988 1 7 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.713 -0.405 17825 1989 1 7 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.473 -0.158 17825 1990 1 7 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.469 -2.963 17825 1991 1 7 . 1 1 9 9 ASP H H 9 7.997 7.997 8.118 -0.121 17825 1992 1 7 . 1 1 10 10 VAL N N 10 111.344 111.344 115.942 -4.598 17825 1993 1 7 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.739 0.217 17825 1994 1 7 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.324 -1.538 17825 1995 1 7 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.558 0.108 17825 1996 1 7 . 1 1 10 10 VAL H H 10 8.115 8.115 7.888 0.227 17825 1997 1 7 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.822 -1.104 17825 1998 1 7 . 1 1 12 12 ARG N N 12 118.354 118.354 121.115 -2.761 17825 1999 1 7 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.193 0.335 17825 2000 1 7 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.419 -0.772 17825 2001 1 7 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.833 -0.587 17825 2002 1 7 . 1 1 12 12 ARG H H 12 8.291 8.291 8.903 -0.612 17825 2003 1 7 . 1 1 13 13 SER N N 13 107.420 107.420 114.880 -7.460 17825 2004 1 7 . 1 1 13 13 SER HA H 13 4.285 4.285 4.339 -0.054 17825 2005 1 7 . 1 1 13 13 SER CA C 13 56.468 56.468 59.814 -3.346 17825 2006 1 7 . 1 1 13 13 SER CB C 13 62.713 62.713 63.130 -0.417 17825 2007 1 7 . 1 1 13 13 SER H H 13 7.181 7.181 8.071 -0.890 17825 2008 1 7 . 1 1 14 14 ALA N N 14 124.202 124.202 124.391 -0.189 17825 2009 1 7 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.266 0.060 17825 2010 1 7 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.971 0.598 17825 2011 1 7 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.865 0.447 17825 2012 1 7 . 1 1 14 14 ALA H H 14 7.631 7.631 7.480 0.151 17825 2013 1 7 . 1 1 15 15 SER N N 15 118.770 118.770 116.786 1.984 17825 2014 1 7 . 1 1 15 15 SER HA H 15 4.675 4.675 4.366 0.309 17825 2015 1 7 . 1 1 15 15 SER CA C 15 56.381 56.381 57.520 -1.139 17825 2016 1 7 . 1 1 15 15 SER CB C 15 65.323 65.323 64.488 0.835 17825 2017 1 7 . 1 1 15 15 SER H H 15 9.295 9.295 8.221 1.074 17825 2018 1 7 . 1 1 16 16 ALA N N 16 122.893 122.893 126.784 -3.891 17825 2019 1 7 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.115 0.029 17825 2020 1 7 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.233 0.060 17825 2021 1 7 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.859 -0.554 17825 2022 1 7 . 1 1 16 16 ALA H H 16 9.025 9.025 8.845 0.180 17825 2023 1 7 . 1 1 17 17 ASP N N 17 118.305 118.305 118.128 0.177 17825 2024 1 7 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.344 0.161 17825 2025 1 7 . 1 1 17 17 ASP CA C 17 57.169 57.169 58.402 -1.233 17825 2026 1 7 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.485 0.237 17825 2027 1 7 . 1 1 17 17 ASP H H 17 8.403 8.403 8.013 0.390 17825 2028 1 7 . 1 1 18 18 ASP N N 18 121.474 121.474 120.569 0.905 17825 2029 1 7 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.458 -0.049 17825 2030 1 7 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.224 -0.144 17825 2031 1 7 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.845 -0.646 17825 2032 1 7 . 1 1 18 18 ASP H H 18 8.062 8.062 7.844 0.218 17825 2033 1 7 . 1 1 19 19 ILE N N 19 122.227 122.227 121.203 1.024 17825 2034 1 7 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.758 -0.105 17825 2035 1 7 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.842 0.347 17825 2036 1 7 . 1 1 19 19 ILE CB C 19 37.809 37.809 37.952 -0.143 17825 2037 1 7 . 1 1 19 19 ILE H H 19 8.181 8.181 8.124 0.057 17825 2038 1 7 . 1 1 20 20 LYS N N 20 120.936 120.936 120.542 0.394 17825 2039 1 7 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.617 0.584 17825 2040 1 7 . 1 1 20 20 LYS CA C 20 60.395 60.395 60.166 0.230 17825 2041 1 7 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.276 0.163 17825 2042 1 7 . 1 1 20 20 LYS H H 20 8.035 8.035 8.415 -0.380 17825 2043 1 7 . 1 1 21 21 LYS N N 21 118.610 118.610 118.875 -0.265 17825 2044 1 7 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.036 -0.069 17825 2045 1 7 . 1 1 21 21 LYS CA C 21 59.706 59.706 59.033 0.673 17825 2046 1 7 . 1 1 21 21 LYS CB C 21 32.578 32.578 32.111 0.467 17825 2047 1 7 . 1 1 21 21 LYS H H 21 8.204 8.204 8.208 -0.004 17825 2048 1 7 . 1 1 22 22 ALA N N 22 122.873 122.873 122.752 0.121 17825 2049 1 7 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.065 0.110 17825 2050 1 7 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.224 -0.429 17825 2051 1 7 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.258 1.544 17825 2052 1 7 . 1 1 22 22 ALA H H 22 8.091 8.091 8.288 -0.197 17825 2053 1 7 . 1 1 23 23 TYR N N 23 118.422 118.422 120.170 -1.748 17825 2054 1 7 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.026 -0.077 17825 2055 1 7 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.053 -0.603 17825 2056 1 7 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.954 0.587 17825 2057 1 7 . 1 1 23 23 TYR H H 23 8.527 8.527 8.144 0.383 17825 2058 1 7 . 1 1 24 24 ARG N N 24 117.379 117.379 119.241 -1.862 17825 2059 1 7 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.405 0.057 17825 2060 1 7 . 1 1 24 24 ARG CA C 24 58.922 58.922 60.081 -1.159 17825 2061 1 7 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.991 -0.445 17825 2062 1 7 . 1 1 24 24 ARG H H 24 7.878 7.878 8.535 -0.657 17825 2063 1 7 . 1 1 25 25 ARG N N 25 117.097 117.097 119.590 -2.493 17825 2064 1 7 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.974 0.072 17825 2065 1 7 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.566 -0.181 17825 2066 1 7 . 1 1 25 25 ARG CB C 25 30.432 30.432 30.002 0.430 17825 2067 1 7 . 1 1 25 25 ARG H H 25 7.612 7.612 8.400 -0.788 17825 2068 1 7 . 1 1 26 26 LYS N N 26 120.499 120.499 119.422 1.077 17825 2069 1 7 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.436 -0.229 17825 2070 1 7 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.400 -2.238 17825 2071 1 7 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.511 0.604 17825 2072 1 7 . 1 1 26 26 LYS H H 26 8.460 8.460 7.811 0.649 17825 2073 1 7 . 1 1 27 27 ALA N N 27 122.515 122.515 123.397 -0.882 17825 2074 1 7 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.303 -0.338 17825 2075 1 7 . 1 1 27 27 ALA CA C 27 54.642 54.642 55.475 -0.833 17825 2076 1 7 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.589 -1.292 17825 2077 1 7 . 1 1 27 27 ALA H H 27 9.009 9.009 8.110 0.899 17825 2078 1 7 . 1 1 28 28 LEU N N 28 116.108 116.108 117.085 -0.977 17825 2079 1 7 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.059 0.081 17825 2080 1 7 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.186 -0.370 17825 2081 1 7 . 1 1 28 28 LEU CB C 28 41.855 41.855 40.896 0.959 17825 2082 1 7 . 1 1 28 28 LEU H H 28 7.149 7.149 8.063 -0.914 17825 2083 1 7 . 1 1 29 29 GLN N N 29 118.295 118.295 119.904 -1.609 17825 2084 1 7 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.905 -0.179 17825 2085 1 7 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.913 -0.719 17825 2086 1 7 . 1 1 29 29 GLN CB C 29 28.132 28.132 29.139 -1.007 17825 2087 1 7 . 1 1 29 29 GLN H H 29 7.552 7.552 8.240 -0.688 17825 2088 1 7 . 1 1 30 30 TRP N N 30 114.410 114.410 115.692 -1.282 17825 2089 1 7 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.864 0.247 17825 2090 1 7 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.797 -1.484 17825 2091 1 7 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.727 0.312 17825 2092 1 7 . 1 1 30 30 TRP H H 30 7.713 7.713 8.089 -0.376 17825 2093 1 7 . 1 1 31 31 HIS N N 31 121.533 121.533 121.275 0.258 17825 2094 1 7 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.650 -0.684 17825 2095 1 7 . 1 1 31 31 HIS CA C 31 56.612 56.612 57.601 -0.989 17825 2096 1 7 . 1 1 31 31 HIS CB C 31 31.108 31.108 31.698 -0.590 17825 2097 1 7 . 1 1 31 31 HIS H H 31 7.299 7.299 7.423 -0.124 17825 2098 1 7 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.209 -0.117 17825 2099 1 7 . 1 1 33 33 ASP N N 33 120.057 120.057 117.490 2.567 17825 2100 1 7 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.488 -0.017 17825 2101 1 7 . 1 1 33 33 ASP CA C 33 56.534 56.534 55.925 0.609 17825 2102 1 7 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.768 -0.937 17825 2103 1 7 . 1 1 33 33 ASP H H 33 10.765 10.765 8.548 2.217 17825 2104 1 7 . 1 1 34 34 LYS N N 34 116.570 116.570 116.892 -0.322 17825 2105 1 7 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.509 -0.061 17825 2106 1 7 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.995 -0.916 17825 2107 1 7 . 1 1 34 34 LYS CB C 34 32.455 32.455 32.847 -0.392 17825 2108 1 7 . 1 1 34 34 LYS H H 34 7.842 7.842 8.212 -0.370 17825 2109 1 7 . 1 1 35 35 ASN N N 35 118.970 118.970 118.769 0.201 17825 2110 1 7 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.007 0.284 17825 2111 1 7 . 1 1 35 35 ASN CA C 35 52.021 52.021 51.210 0.811 17825 2112 1 7 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.592 2.605 17825 2113 1 7 . 1 1 35 35 ASN H H 35 7.588 7.588 7.512 0.076 17825 2114 1 7 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.574 -0.223 17825 2115 1 7 . 1 1 37 37 ASP N N 37 116.874 116.874 115.841 1.033 17825 2116 1 7 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.687 0.090 17825 2117 1 7 . 1 1 37 37 ASP CA C 37 54.037 54.037 55.188 -1.151 17825 2118 1 7 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.547 -0.736 17825 2119 1 7 . 1 1 37 37 ASP H H 37 8.521 8.521 8.542 -0.021 17825 2120 1 7 . 1 1 38 38 ASN N N 38 120.484 120.484 119.363 1.121 17825 2121 1 7 . 1 1 38 38 ASN HA H 38 5.108 5.108 5.012 0.096 17825 2122 1 7 . 1 1 38 38 ASN CA C 38 51.780 51.780 52.894 -1.114 17825 2123 1 7 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.281 0.413 17825 2124 1 7 . 1 1 38 38 ASN H H 38 7.901 7.901 8.330 -0.429 17825 2125 1 7 . 1 1 39 39 LYS N N 39 121.973 121.973 123.098 -1.125 17825 2126 1 7 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.684 -0.665 17825 2127 1 7 . 1 1 39 39 LYS CA C 39 60.723 60.723 58.136 2.587 17825 2128 1 7 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.166 0.103 17825 2129 1 7 . 1 1 39 39 LYS H H 39 8.362 8.362 8.269 0.093 17825 2130 1 7 . 1 1 40 40 GLU N N 40 119.447 119.447 121.618 -2.171 17825 2131 1 7 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.034 0.071 17825 2132 1 7 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.397 0.416 17825 2133 1 7 . 1 1 40 40 GLU CB C 40 28.577 28.577 28.988 -0.411 17825 2134 1 7 . 1 1 40 40 GLU H H 40 8.746 8.746 8.729 0.017 17825 2135 1 7 . 1 1 41 41 PHE N N 41 121.498 121.498 116.845 4.653 17825 2136 1 7 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.238 -0.067 17825 2137 1 7 . 1 1 41 41 PHE CA C 41 60.572 60.572 61.150 -0.578 17825 2138 1 7 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.623 0.877 17825 2139 1 7 . 1 1 41 41 PHE H H 41 8.273 8.273 8.312 -0.039 17825 2140 1 7 . 1 1 42 42 ALA N N 42 120.231 120.231 122.287 -2.056 17825 2141 1 7 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.621 0.490 17825 2142 1 7 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.350 -0.274 17825 2143 1 7 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.392 -0.276 17825 2144 1 7 . 1 1 42 42 ALA H H 42 8.238 8.238 7.869 0.369 17825 2145 1 7 . 1 1 43 43 GLU N N 43 117.279 117.279 117.682 -0.403 17825 2146 1 7 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.038 0.004 17825 2147 1 7 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.924 0.828 17825 2148 1 7 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.255 0.011 17825 2149 1 7 . 1 1 43 43 GLU H H 43 8.523 8.523 8.233 0.290 17825 2150 1 7 . 1 1 44 44 LYS N N 44 119.444 119.444 120.679 -1.235 17825 2151 1 7 . 1 1 44 44 LYS HA H 44 3.951 3.951 3.954 -0.003 17825 2152 1 7 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.112 0.338 17825 2153 1 7 . 1 1 44 44 LYS CB C 44 31.606 31.606 31.896 -0.290 17825 2154 1 7 . 1 1 44 44 LYS H H 44 7.356 7.356 7.858 -0.502 17825 2155 1 7 . 1 1 45 45 LYS N N 45 119.401 119.401 119.178 0.223 17825 2156 1 7 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.146 -0.546 17825 2157 1 7 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.003 -1.730 17825 2158 1 7 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.189 -1.807 17825 2159 1 7 . 1 1 45 45 LYS H H 45 7.584 7.584 8.026 -0.442 17825 2160 1 7 . 1 1 46 46 PHE N N 46 121.408 121.408 121.660 -0.252 17825 2161 1 7 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.163 -0.232 17825 2162 1 7 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.525 0.037 17825 2163 1 7 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.072 -0.056 17825 2164 1 7 . 1 1 46 46 PHE H H 46 9.323 9.323 8.110 1.213 17825 2165 1 7 . 1 1 47 47 LYS N N 47 119.512 119.512 118.569 0.943 17825 2166 1 7 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.979 -0.066 17825 2167 1 7 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.057 0.292 17825 2168 1 7 . 1 1 47 47 LYS CB C 47 31.885 31.885 31.670 0.215 17825 2169 1 7 . 1 1 47 47 LYS H H 47 8.147 8.147 8.426 -0.279 17825 2170 1 7 . 1 1 48 48 GLU N N 48 119.665 119.665 119.789 -0.124 17825 2171 1 7 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.048 0.050 17825 2172 1 7 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.308 -0.315 17825 2173 1 7 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.667 -0.079 17825 2174 1 7 . 1 1 48 48 GLU H H 48 7.540 7.540 7.753 -0.213 17825 2175 1 7 . 1 1 49 49 VAL N N 49 120.333 120.333 119.959 0.374 17825 2176 1 7 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.789 -0.323 17825 2177 1 7 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.579 0.041 17825 2178 1 7 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.924 -0.133 17825 2179 1 7 . 1 1 49 49 VAL H H 49 7.727 7.727 7.917 -0.190 17825 2180 1 7 . 1 1 50 50 ALA N N 50 122.082 122.082 121.905 0.177 17825 2181 1 7 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.715 0.226 17825 2182 1 7 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.394 -0.297 17825 2183 1 7 . 1 1 50 50 ALA CB C 50 17.874 17.874 17.952 -0.078 17825 2184 1 7 . 1 1 50 50 ALA H H 50 8.070 8.070 8.105 -0.035 17825 2185 1 7 . 1 1 51 51 GLU N N 51 119.977 119.977 118.299 1.678 17825 2186 1 7 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.994 -0.175 17825 2187 1 7 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.699 -0.007 17825 2188 1 7 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.435 -0.069 17825 2189 1 7 . 1 1 51 51 GLU H H 51 7.888 7.888 8.144 -0.256 17825 2190 1 7 . 1 1 52 52 ALA N N 52 119.318 119.318 122.236 -2.918 17825 2191 1 7 . 1 1 52 52 ALA HA H 52 4.339 4.339 3.989 0.350 17825 2192 1 7 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.636 -2.000 17825 2193 1 7 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.311 0.519 17825 2194 1 7 . 1 1 52 52 ALA H H 52 7.727 7.727 7.809 -0.082 17825 2195 1 7 . 1 1 53 53 TYR N N 53 116.011 116.011 119.524 -3.513 17825 2196 1 7 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.038 -0.340 17825 2197 1 7 . 1 1 53 53 TYR CA C 53 60.445 60.445 61.083 -0.638 17825 2198 1 7 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.226 1.168 17825 2199 1 7 . 1 1 53 53 TYR H H 53 8.245 8.245 8.658 -0.413 17825 2200 1 7 . 1 1 54 54 GLU N N 54 122.173 122.173 119.943 2.230 17825 2201 1 7 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.165 0.178 17825 2202 1 7 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.948 0.100 17825 2203 1 7 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.106 -0.153 17825 2204 1 7 . 1 1 54 54 GLU H H 54 8.125 8.125 7.535 0.590 17825 2205 1 7 . 1 1 55 55 VAL N N 55 115.105 115.105 119.514 -4.409 17825 2206 1 7 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.658 -0.230 17825 2207 1 7 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.340 -0.113 17825 2208 1 7 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.724 0.052 17825 2209 1 7 . 1 1 55 55 VAL H H 55 6.790 6.790 7.908 -1.118 17825 2210 1 7 . 1 1 56 56 LEU N N 56 111.133 111.133 118.264 -7.131 17825 2211 1 7 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.984 -0.294 17825 2212 1 7 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.632 -0.373 17825 2213 1 7 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.972 -0.310 17825 2214 1 7 . 1 1 56 56 LEU H H 56 7.737 7.737 7.545 0.192 17825 2215 1 7 . 1 1 57 57 SER N N 57 109.014 109.014 111.921 -2.907 17825 2216 1 7 . 1 1 57 57 SER HA H 57 3.960 3.960 4.279 -0.319 17825 2217 1 7 . 1 1 57 57 SER CA C 57 58.594 58.594 60.540 -1.946 17825 2218 1 7 . 1 1 57 57 SER CB C 57 63.191 63.191 63.926 -0.735 17825 2219 1 7 . 1 1 57 57 SER H H 57 7.808 7.808 7.448 0.360 17825 2220 1 7 . 1 1 58 58 ASP N N 58 125.471 125.471 120.605 4.866 17825 2221 1 7 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.742 0.061 17825 2222 1 7 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.786 -0.659 17825 2223 1 7 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.701 0.773 17825 2224 1 7 . 1 1 58 58 ASP H H 58 7.029 7.029 7.196 -0.167 17825 2225 1 7 . 1 1 59 59 LYS N N 59 125.812 125.812 128.575 -2.763 17825 2226 1 7 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.996 -0.132 17825 2227 1 7 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.489 0.309 17825 2228 1 7 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.121 0.119 17825 2229 1 7 . 1 1 59 59 LYS H H 59 8.731 8.731 8.856 -0.125 17825 2230 1 7 . 1 1 60 60 HIS N N 60 116.930 116.930 120.891 -3.961 17825 2231 1 7 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.886 -0.303 17825 2232 1 7 . 1 1 60 60 HIS CA C 60 58.451 58.451 58.889 -0.438 17825 2233 1 7 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.570 -0.397 17825 2234 1 7 . 1 1 60 60 HIS H H 60 8.066 8.066 7.876 0.190 17825 2235 1 7 . 1 1 61 61 LYS N N 61 120.552 120.552 119.900 0.652 17825 2236 1 7 . 1 1 61 61 LYS HA H 61 3.892 3.892 3.934 -0.042 17825 2237 1 7 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.709 1.145 17825 2238 1 7 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.902 0.948 17825 2239 1 7 . 1 1 61 61 LYS H H 61 8.593 8.593 9.027 -0.434 17825 2240 1 7 . 1 1 62 62 ARG N N 62 120.957 120.957 118.642 2.315 17825 2241 1 7 . 1 1 62 62 ARG HA H 62 3.710 3.710 3.968 -0.258 17825 2242 1 7 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.209 1.041 17825 2243 1 7 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.782 -0.559 17825 2244 1 7 . 1 1 62 62 ARG H H 62 9.265 9.265 8.125 1.140 17825 2245 1 7 . 1 1 63 63 GLU N N 63 117.661 117.661 119.886 -2.225 17825 2246 1 7 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.061 0.092 17825 2247 1 7 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.313 -0.118 17825 2248 1 7 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.429 -0.528 17825 2249 1 7 . 1 1 63 63 GLU H H 63 7.562 7.562 7.728 -0.166 17825 2250 1 7 . 1 1 64 64 ILE N N 64 119.447 119.447 119.768 -0.321 17825 2251 1 7 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.741 0.101 17825 2252 1 7 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.165 0.736 17825 2253 1 7 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.818 0.709 17825 2254 1 7 . 1 1 64 64 ILE H H 64 7.597 7.597 7.802 -0.205 17825 2255 1 7 . 1 1 65 65 TYR N N 65 122.673 122.673 120.892 1.781 17825 2256 1 7 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.002 0.120 17825 2257 1 7 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.230 -1.301 17825 2258 1 7 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.511 0.364 17825 2259 1 7 . 1 1 65 65 TYR H H 65 8.989 8.989 8.662 0.327 17825 2260 1 7 . 1 1 66 66 ASP N N 66 121.011 121.011 117.630 3.381 17825 2261 1 7 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.404 -0.056 17825 2262 1 7 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.629 -1.070 17825 2263 1 7 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.255 -1.664 17825 2264 1 7 . 1 1 66 66 ASP H H 66 9.331 9.331 7.967 1.364 17825 2265 1 7 . 1 1 67 67 ARG N N 67 117.684 117.684 118.148 -0.464 17825 2266 1 7 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.249 -0.164 17825 2267 1 7 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.398 -0.889 17825 2268 1 7 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.499 1.059 17825 2269 1 7 . 1 1 67 67 ARG H H 67 7.452 7.452 7.754 -0.302 17825 2270 1 7 . 1 1 68 68 TYR N N 68 115.660 115.660 121.048 -5.388 17825 2271 1 7 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.518 0.252 17825 2272 1 7 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.712 -1.281 17825 2273 1 7 . 1 1 68 68 TYR CB C 68 40.631 40.631 38.236 2.395 17825 2274 1 7 . 1 1 68 68 TYR H H 68 8.712 8.712 8.504 0.208 17825 2275 1 7 . 1 1 69 69 GLY N N 69 109.947 109.947 108.162 1.785 17825 2276 1 7 . 1 1 69 69 GLY CA C 69 44.628 44.628 45.901 -1.273 17825 2277 1 7 . 1 1 69 69 GLY H H 69 8.311 8.311 8.013 0.298 17825 2278 1 7 . 1 1 70 70 ARG N N 70 120.184 120.184 120.503 -0.319 17825 2279 1 7 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.157 0.011 17825 2280 1 7 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.388 2.436 17825 2281 1 7 . 1 1 70 70 ARG CB C 70 30.187 30.187 30.029 0.158 17825 2282 1 7 . 1 1 70 70 ARG H H 70 8.756 8.756 8.227 0.529 17825 2283 1 8 . 1 1 3 3 SER N N 3 115.996 115.996 113.356 2.640 17825 2284 1 8 . 1 1 3 3 SER HA H 3 4.428 4.428 3.519 0.909 17825 2285 1 8 . 1 1 3 3 SER CA C 3 56.636 56.636 58.714 -2.078 17825 2286 1 8 . 1 1 3 3 SER CB C 3 64.556 64.556 62.533 2.023 17825 2287 1 8 . 1 1 3 3 SER H H 3 8.840 8.840 7.536 1.304 17825 2288 1 8 . 1 1 4 4 TYR N N 4 119.562 119.562 118.061 1.501 17825 2289 1 8 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.067 0.403 17825 2290 1 8 . 1 1 4 4 TYR CA C 4 57.964 57.964 61.196 -3.232 17825 2291 1 8 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.400 -0.196 17825 2292 1 8 . 1 1 4 4 TYR H H 4 8.255 8.255 7.840 0.415 17825 2293 1 8 . 1 1 5 5 TYR N N 5 114.704 114.704 115.396 -0.692 17825 2294 1 8 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.599 -0.657 17825 2295 1 8 . 1 1 5 5 TYR CA C 5 61.713 61.713 59.134 2.579 17825 2296 1 8 . 1 1 5 5 TYR CB C 5 36.983 36.983 36.852 0.131 17825 2297 1 8 . 1 1 5 5 TYR H H 5 7.137 7.137 7.530 -0.393 17825 2298 1 8 . 1 1 6 6 GLU N N 6 119.884 119.884 118.121 1.763 17825 2299 1 8 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.242 0.018 17825 2300 1 8 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.329 0.150 17825 2301 1 8 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.823 -0.167 17825 2302 1 8 . 1 1 6 6 GLU H H 6 7.622 7.622 7.388 0.234 17825 2303 1 8 . 1 1 7 7 ILE N N 7 120.890 120.890 115.461 5.429 17825 2304 1 8 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.979 -0.239 17825 2305 1 8 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.350 0.536 17825 2306 1 8 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.011 0.015 17825 2307 1 8 . 1 1 7 7 ILE H H 7 8.174 8.174 7.841 0.333 17825 2308 1 8 . 1 1 8 8 LEU N N 8 115.091 115.091 119.577 -4.486 17825 2309 1 8 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.484 -0.208 17825 2310 1 8 . 1 1 8 8 LEU CA C 8 54.662 54.662 55.849 -1.187 17825 2311 1 8 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.226 -2.360 17825 2312 1 8 . 1 1 8 8 LEU H H 8 7.039 7.039 8.018 -0.979 17825 2313 1 8 . 1 1 9 9 ASP N N 9 119.283 119.283 113.741 5.542 17825 2314 1 8 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.752 -0.444 17825 2315 1 8 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.266 0.049 17825 2316 1 8 . 1 1 9 9 ASP CB C 9 39.506 39.506 41.529 -2.023 17825 2317 1 8 . 1 1 9 9 ASP H H 9 7.997 7.997 8.293 -0.296 17825 2318 1 8 . 1 1 10 10 VAL N N 10 111.344 111.344 115.630 -4.286 17825 2319 1 8 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.744 0.212 17825 2320 1 8 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.134 -1.348 17825 2321 1 8 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.885 -0.219 17825 2322 1 8 . 1 1 10 10 VAL H H 10 8.115 8.115 7.646 0.469 17825 2323 1 8 . 1 1 11 11 PRO HA H 11 3.718 3.718 5.090 -1.372 17825 2324 1 8 . 1 1 12 12 ARG N N 12 118.354 118.354 118.451 -0.097 17825 2325 1 8 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.021 0.507 17825 2326 1 8 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.730 -1.084 17825 2327 1 8 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.769 -0.523 17825 2328 1 8 . 1 1 12 12 ARG H H 12 8.291 8.291 8.730 -0.439 17825 2329 1 8 . 1 1 13 13 SER N N 13 107.420 107.420 113.576 -6.156 17825 2330 1 8 . 1 1 13 13 SER HA H 13 4.285 4.285 4.290 -0.005 17825 2331 1 8 . 1 1 13 13 SER CA C 13 56.468 56.468 59.058 -2.590 17825 2332 1 8 . 1 1 13 13 SER CB C 13 62.713 62.713 62.788 -0.075 17825 2333 1 8 . 1 1 13 13 SER H H 13 7.181 7.181 7.882 -0.701 17825 2334 1 8 . 1 1 14 14 ALA N N 14 124.202 124.202 125.461 -1.259 17825 2335 1 8 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.449 -0.123 17825 2336 1 8 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.846 0.724 17825 2337 1 8 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.804 0.508 17825 2338 1 8 . 1 1 14 14 ALA H H 14 7.631 7.631 7.433 0.198 17825 2339 1 8 . 1 1 15 15 SER N N 15 118.770 118.770 116.049 2.721 17825 2340 1 8 . 1 1 15 15 SER HA H 15 4.675 4.675 4.240 0.435 17825 2341 1 8 . 1 1 15 15 SER CA C 15 56.381 56.381 57.926 -1.545 17825 2342 1 8 . 1 1 15 15 SER CB C 15 65.323 65.323 64.251 1.071 17825 2343 1 8 . 1 1 15 15 SER H H 15 9.295 9.295 8.347 0.948 17825 2344 1 8 . 1 1 16 16 ALA N N 16 122.893 122.893 130.453 -7.560 17825 2345 1 8 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.071 0.073 17825 2346 1 8 . 1 1 16 16 ALA CA C 16 55.293 55.293 54.813 0.480 17825 2347 1 8 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.746 -0.441 17825 2348 1 8 . 1 1 16 16 ALA H H 16 9.025 9.025 8.891 0.134 17825 2349 1 8 . 1 1 17 17 ASP N N 17 118.305 118.305 117.772 0.533 17825 2350 1 8 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.386 0.119 17825 2351 1 8 . 1 1 17 17 ASP CA C 17 57.169 57.169 58.135 -0.966 17825 2352 1 8 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.758 -0.036 17825 2353 1 8 . 1 1 17 17 ASP H H 17 8.403 8.403 7.878 0.525 17825 2354 1 8 . 1 1 18 18 ASP N N 18 121.474 121.474 120.980 0.494 17825 2355 1 8 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.471 -0.062 17825 2356 1 8 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.113 -0.033 17825 2357 1 8 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.949 -0.750 17825 2358 1 8 . 1 1 18 18 ASP H H 18 8.062 8.062 7.780 0.282 17825 2359 1 8 . 1 1 19 19 ILE N N 19 122.227 122.227 120.769 1.458 17825 2360 1 8 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.710 -0.057 17825 2361 1 8 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.017 0.172 17825 2362 1 8 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.010 -0.201 17825 2363 1 8 . 1 1 19 19 ILE H H 19 8.181 8.181 8.203 -0.022 17825 2364 1 8 . 1 1 20 20 LYS N N 20 120.936 120.936 120.301 0.635 17825 2365 1 8 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.925 0.276 17825 2366 1 8 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.929 0.466 17825 2367 1 8 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.281 0.158 17825 2368 1 8 . 1 1 20 20 LYS H H 20 8.035 8.035 8.111 -0.076 17825 2369 1 8 . 1 1 21 21 LYS N N 21 118.610 118.610 119.145 -0.535 17825 2370 1 8 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.017 -0.050 17825 2371 1 8 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.790 0.916 17825 2372 1 8 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.914 0.664 17825 2373 1 8 . 1 1 21 21 LYS H H 21 8.204 8.204 7.961 0.243 17825 2374 1 8 . 1 1 22 22 ALA N N 22 122.873 122.873 122.779 0.094 17825 2375 1 8 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.038 0.137 17825 2376 1 8 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.181 -0.386 17825 2377 1 8 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.252 1.550 17825 2378 1 8 . 1 1 22 22 ALA H H 22 8.091 8.091 8.312 -0.221 17825 2379 1 8 . 1 1 23 23 TYR N N 23 118.422 118.422 119.884 -1.462 17825 2380 1 8 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.018 -0.069 17825 2381 1 8 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.357 -0.907 17825 2382 1 8 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.879 0.662 17825 2383 1 8 . 1 1 23 23 TYR H H 23 8.527 8.527 8.496 0.031 17825 2384 1 8 . 1 1 24 24 ARG N N 24 117.379 117.379 119.038 -1.659 17825 2385 1 8 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.260 0.202 17825 2386 1 8 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.630 -0.708 17825 2387 1 8 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.010 -0.464 17825 2388 1 8 . 1 1 24 24 ARG H H 24 7.878 7.878 8.126 -0.247 17825 2389 1 8 . 1 1 25 25 ARG N N 25 117.097 117.097 119.066 -1.969 17825 2390 1 8 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.991 0.055 17825 2391 1 8 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.007 0.378 17825 2392 1 8 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.651 0.781 17825 2393 1 8 . 1 1 25 25 ARG H H 25 7.612 7.612 8.538 -0.926 17825 2394 1 8 . 1 1 26 26 LYS N N 26 120.499 120.499 121.002 -0.503 17825 2395 1 8 . 1 1 26 26 LYS HA H 26 4.207 4.207 3.950 0.257 17825 2396 1 8 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.598 -1.436 17825 2397 1 8 . 1 1 26 26 LYS CB C 26 33.115 33.115 31.924 1.192 17825 2398 1 8 . 1 1 26 26 LYS H H 26 8.460 8.460 8.008 0.452 17825 2399 1 8 . 1 1 27 27 ALA N N 27 122.515 122.515 121.739 0.776 17825 2400 1 8 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.246 -0.281 17825 2401 1 8 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.727 -0.085 17825 2402 1 8 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.455 -1.158 17825 2403 1 8 . 1 1 27 27 ALA H H 27 9.009 9.009 7.665 1.344 17825 2404 1 8 . 1 1 28 28 LEU N N 28 116.108 116.108 117.398 -1.290 17825 2405 1 8 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.063 0.077 17825 2406 1 8 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.455 -0.639 17825 2407 1 8 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.882 -0.027 17825 2408 1 8 . 1 1 28 28 LEU H H 28 7.149 7.149 7.928 -0.779 17825 2409 1 8 . 1 1 29 29 GLN N N 29 118.295 118.295 120.010 -1.715 17825 2410 1 8 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.807 -0.081 17825 2411 1 8 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.152 0.042 17825 2412 1 8 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.200 -0.068 17825 2413 1 8 . 1 1 29 29 GLN H H 29 7.552 7.552 7.988 -0.436 17825 2414 1 8 . 1 1 30 30 TRP N N 30 114.410 114.410 115.672 -1.262 17825 2415 1 8 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.730 0.381 17825 2416 1 8 . 1 1 30 30 TRP CA C 30 55.313 55.313 55.439 -0.126 17825 2417 1 8 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.935 0.104 17825 2418 1 8 . 1 1 30 30 TRP H H 30 7.713 7.713 7.135 0.578 17825 2419 1 8 . 1 1 31 31 HIS N N 31 121.533 121.533 121.762 -0.229 17825 2420 1 8 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.655 -0.689 17825 2421 1 8 . 1 1 31 31 HIS CA C 31 56.612 56.612 55.752 0.860 17825 2422 1 8 . 1 1 31 31 HIS CB C 31 31.108 31.108 32.253 -1.145 17825 2423 1 8 . 1 1 31 31 HIS H H 31 7.299 7.299 7.322 -0.023 17825 2424 1 8 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.118 -0.026 17825 2425 1 8 . 1 1 33 33 ASP N N 33 120.057 120.057 118.609 1.448 17825 2426 1 8 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.399 0.072 17825 2427 1 8 . 1 1 33 33 ASP CA C 33 56.534 56.534 55.808 0.726 17825 2428 1 8 . 1 1 33 33 ASP CB C 33 39.831 39.831 39.588 0.243 17825 2429 1 8 . 1 1 33 33 ASP H H 33 10.765 10.765 7.991 2.774 17825 2430 1 8 . 1 1 34 34 LYS N N 34 116.570 116.570 118.578 -2.008 17825 2431 1 8 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.494 -0.046 17825 2432 1 8 . 1 1 34 34 LYS CA C 34 54.078 54.078 55.218 -1.140 17825 2433 1 8 . 1 1 34 34 LYS CB C 34 32.455 32.455 33.017 -0.562 17825 2434 1 8 . 1 1 34 34 LYS H H 34 7.842 7.842 7.821 0.021 17825 2435 1 8 . 1 1 35 35 ASN N N 35 118.970 118.970 119.270 -0.300 17825 2436 1 8 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.995 0.296 17825 2437 1 8 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.649 1.372 17825 2438 1 8 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.578 2.619 17825 2439 1 8 . 1 1 35 35 ASN H H 35 7.588 7.588 7.434 0.154 17825 2440 1 8 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.645 -0.294 17825 2441 1 8 . 1 1 37 37 ASP N N 37 116.874 116.874 115.335 1.539 17825 2442 1 8 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.679 0.098 17825 2443 1 8 . 1 1 37 37 ASP CA C 37 54.037 54.037 55.067 -1.030 17825 2444 1 8 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.442 -0.630 17825 2445 1 8 . 1 1 37 37 ASP H H 37 8.521 8.521 8.469 0.052 17825 2446 1 8 . 1 1 38 38 ASN N N 38 120.484 120.484 119.236 1.248 17825 2447 1 8 . 1 1 38 38 ASN HA H 38 5.108 5.108 5.010 0.098 17825 2448 1 8 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.057 -1.278 17825 2449 1 8 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.971 -0.277 17825 2450 1 8 . 1 1 38 38 ASN H H 38 7.901 7.901 8.454 -0.553 17825 2451 1 8 . 1 1 39 39 LYS N N 39 121.973 121.973 122.787 -0.814 17825 2452 1 8 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.342 -0.323 17825 2453 1 8 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.778 2.945 17825 2454 1 8 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.835 0.435 17825 2455 1 8 . 1 1 39 39 LYS H H 39 8.362 8.362 8.475 -0.113 17825 2456 1 8 . 1 1 40 40 GLU N N 40 119.447 119.447 121.795 -2.348 17825 2457 1 8 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.032 0.073 17825 2458 1 8 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.475 0.337 17825 2459 1 8 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.035 -0.458 17825 2460 1 8 . 1 1 40 40 GLU H H 40 8.746 8.746 8.572 0.174 17825 2461 1 8 . 1 1 41 41 PHE N N 41 121.498 121.498 115.645 5.853 17825 2462 1 8 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.363 -0.192 17825 2463 1 8 . 1 1 41 41 PHE CA C 41 60.572 60.572 59.909 0.663 17825 2464 1 8 . 1 1 41 41 PHE CB C 41 39.500 39.500 37.932 1.568 17825 2465 1 8 . 1 1 41 41 PHE H H 41 8.273 8.273 8.133 0.140 17825 2466 1 8 . 1 1 42 42 ALA N N 42 120.231 120.231 123.238 -3.007 17825 2467 1 8 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.408 0.703 17825 2468 1 8 . 1 1 42 42 ALA CA C 42 55.076 55.076 54.705 0.371 17825 2469 1 8 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.138 -0.022 17825 2470 1 8 . 1 1 42 42 ALA H H 42 8.238 8.238 7.426 0.812 17825 2471 1 8 . 1 1 43 43 GLU N N 43 117.279 117.279 117.168 0.111 17825 2472 1 8 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.970 0.072 17825 2473 1 8 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.965 0.786 17825 2474 1 8 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.189 0.077 17825 2475 1 8 . 1 1 43 43 GLU H H 43 8.523 8.523 8.444 0.079 17825 2476 1 8 . 1 1 44 44 LYS N N 44 119.444 119.444 120.382 -0.938 17825 2477 1 8 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.149 -0.198 17825 2478 1 8 . 1 1 44 44 LYS CA C 44 59.450 59.450 58.954 0.496 17825 2479 1 8 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.104 -0.498 17825 2480 1 8 . 1 1 44 44 LYS H H 44 7.356 7.356 7.612 -0.256 17825 2481 1 8 . 1 1 45 45 LYS N N 45 119.401 119.401 120.180 -0.779 17825 2482 1 8 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.131 -0.531 17825 2483 1 8 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.578 -2.305 17825 2484 1 8 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.927 -2.545 17825 2485 1 8 . 1 1 45 45 LYS H H 45 7.584 7.584 8.220 -0.636 17825 2486 1 8 . 1 1 46 46 PHE N N 46 121.408 121.408 121.009 0.399 17825 2487 1 8 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.290 -0.359 17825 2488 1 8 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.464 0.098 17825 2489 1 8 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.088 -0.072 17825 2490 1 8 . 1 1 46 46 PHE H H 46 9.323 9.323 8.451 0.872 17825 2491 1 8 . 1 1 47 47 LYS N N 47 119.512 119.512 120.021 -0.509 17825 2492 1 8 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.940 -0.027 17825 2493 1 8 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.314 0.036 17825 2494 1 8 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.125 -0.240 17825 2495 1 8 . 1 1 47 47 LYS H H 47 8.147 8.147 8.052 0.095 17825 2496 1 8 . 1 1 48 48 GLU N N 48 119.665 119.665 118.744 0.921 17825 2497 1 8 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.105 -0.007 17825 2498 1 8 . 1 1 48 48 GLU CA C 48 58.993 58.993 58.935 0.058 17825 2499 1 8 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.269 0.319 17825 2500 1 8 . 1 1 48 48 GLU H H 48 7.540 7.540 8.228 -0.688 17825 2501 1 8 . 1 1 49 49 VAL N N 49 120.333 120.333 120.866 -0.533 17825 2502 1 8 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.787 -0.321 17825 2503 1 8 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.665 -0.045 17825 2504 1 8 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.705 0.086 17825 2505 1 8 . 1 1 49 49 VAL H H 49 7.727 7.727 7.711 0.016 17825 2506 1 8 . 1 1 50 50 ALA N N 50 122.082 122.082 121.617 0.465 17825 2507 1 8 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.957 -0.016 17825 2508 1 8 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.445 -0.348 17825 2509 1 8 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.034 -0.160 17825 2510 1 8 . 1 1 50 50 ALA H H 50 8.070 8.070 7.741 0.329 17825 2511 1 8 . 1 1 51 51 GLU N N 51 119.977 119.977 118.274 1.703 17825 2512 1 8 . 1 1 51 51 GLU HA H 51 3.819 3.819 4.023 -0.204 17825 2513 1 8 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.792 -0.101 17825 2514 1 8 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.530 -0.164 17825 2515 1 8 . 1 1 51 51 GLU H H 51 7.888 7.888 7.871 0.017 17825 2516 1 8 . 1 1 52 52 ALA N N 52 119.318 119.318 122.025 -2.707 17825 2517 1 8 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.142 0.197 17825 2518 1 8 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.677 -2.041 17825 2519 1 8 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.396 0.434 17825 2520 1 8 . 1 1 52 52 ALA H H 52 7.727 7.727 8.481 -0.754 17825 2521 1 8 . 1 1 53 53 TYR N N 53 116.011 116.011 120.084 -4.073 17825 2522 1 8 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.088 -0.390 17825 2523 1 8 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.983 -0.538 17825 2524 1 8 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.317 1.077 17825 2525 1 8 . 1 1 53 53 TYR H H 53 8.245 8.245 8.595 -0.350 17825 2526 1 8 . 1 1 54 54 GLU N N 54 122.173 122.173 119.591 2.582 17825 2527 1 8 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.249 0.094 17825 2528 1 8 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.778 0.270 17825 2529 1 8 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.748 0.205 17825 2530 1 8 . 1 1 54 54 GLU H H 54 8.125 8.125 7.611 0.514 17825 2531 1 8 . 1 1 55 55 VAL N N 55 115.105 115.105 119.117 -4.012 17825 2532 1 8 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.683 -0.255 17825 2533 1 8 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.466 -0.239 17825 2534 1 8 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.735 0.041 17825 2535 1 8 . 1 1 55 55 VAL H H 55 6.790 6.790 7.625 -0.835 17825 2536 1 8 . 1 1 56 56 LEU N N 56 111.133 111.133 118.029 -6.896 17825 2537 1 8 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.663 0.027 17825 2538 1 8 . 1 1 56 56 LEU CA C 56 56.259 56.259 57.016 -0.757 17825 2539 1 8 . 1 1 56 56 LEU CB C 56 41.662 41.662 40.795 0.867 17825 2540 1 8 . 1 1 56 56 LEU H H 56 7.737 7.737 7.832 -0.095 17825 2541 1 8 . 1 1 57 57 SER N N 57 109.014 109.014 112.064 -3.050 17825 2542 1 8 . 1 1 57 57 SER HA H 57 3.960 3.960 4.281 -0.321 17825 2543 1 8 . 1 1 57 57 SER CA C 57 58.594 58.594 59.510 -0.916 17825 2544 1 8 . 1 1 57 57 SER CB C 57 63.191 63.191 63.632 -0.440 17825 2545 1 8 . 1 1 57 57 SER H H 57 7.808 7.808 7.766 0.042 17825 2546 1 8 . 1 1 58 58 ASP N N 58 125.471 125.471 119.931 5.540 17825 2547 1 8 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.722 0.081 17825 2548 1 8 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.074 -0.947 17825 2549 1 8 . 1 1 58 58 ASP CB C 58 43.474 43.474 43.198 0.276 17825 2550 1 8 . 1 1 58 58 ASP H H 58 7.029 7.029 7.094 -0.065 17825 2551 1 8 . 1 1 59 59 LYS N N 59 125.812 125.812 127.562 -1.750 17825 2552 1 8 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.968 -0.104 17825 2553 1 8 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.127 0.672 17825 2554 1 8 . 1 1 59 59 LYS CB C 59 32.240 32.240 31.761 0.479 17825 2555 1 8 . 1 1 59 59 LYS H H 59 8.731 8.731 8.869 -0.138 17825 2556 1 8 . 1 1 60 60 HIS N N 60 116.930 116.930 120.138 -3.208 17825 2557 1 8 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.516 0.067 17825 2558 1 8 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.508 -1.057 17825 2559 1 8 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.895 -0.723 17825 2560 1 8 . 1 1 60 60 HIS H H 60 8.066 8.066 7.899 0.167 17825 2561 1 8 . 1 1 61 61 LYS N N 61 120.552 120.552 119.016 1.536 17825 2562 1 8 . 1 1 61 61 LYS HA H 61 3.892 3.892 3.960 -0.068 17825 2563 1 8 . 1 1 61 61 LYS CA C 61 59.853 59.853 59.075 0.778 17825 2564 1 8 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.694 1.156 17825 2565 1 8 . 1 1 61 61 LYS H H 61 8.593 8.593 8.516 0.077 17825 2566 1 8 . 1 1 62 62 ARG N N 62 120.957 120.957 119.261 1.696 17825 2567 1 8 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.111 -0.401 17825 2568 1 8 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.671 0.579 17825 2569 1 8 . 1 1 62 62 ARG CB C 62 29.223 29.223 30.131 -0.908 17825 2570 1 8 . 1 1 62 62 ARG H H 62 9.265 9.265 7.725 1.540 17825 2571 1 8 . 1 1 63 63 GLU N N 63 117.661 117.661 119.970 -2.309 17825 2572 1 8 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.043 0.110 17825 2573 1 8 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.295 -0.100 17825 2574 1 8 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.317 -0.416 17825 2575 1 8 . 1 1 63 63 GLU H H 63 7.562 7.562 7.815 -0.253 17825 2576 1 8 . 1 1 64 64 ILE N N 64 119.447 119.447 120.044 -0.597 17825 2577 1 8 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.735 0.107 17825 2578 1 8 . 1 1 64 64 ILE CA C 64 63.901 63.901 62.530 1.371 17825 2579 1 8 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.670 0.857 17825 2580 1 8 . 1 1 64 64 ILE H H 64 7.597 7.597 8.016 -0.419 17825 2581 1 8 . 1 1 65 65 TYR N N 65 122.673 122.673 120.964 1.709 17825 2582 1 8 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.038 0.084 17825 2583 1 8 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.227 -1.298 17825 2584 1 8 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.453 0.422 17825 2585 1 8 . 1 1 65 65 TYR H H 65 8.989 8.989 8.533 0.456 17825 2586 1 8 . 1 1 66 66 ASP N N 66 121.011 121.011 118.771 2.240 17825 2587 1 8 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.337 0.011 17825 2588 1 8 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.483 -0.924 17825 2589 1 8 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.101 -1.510 17825 2590 1 8 . 1 1 66 66 ASP H H 66 9.331 9.331 8.113 1.218 17825 2591 1 8 . 1 1 67 67 ARG N N 67 117.684 117.684 117.591 0.093 17825 2592 1 8 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.186 -0.101 17825 2593 1 8 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.146 -0.637 17825 2594 1 8 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.307 1.251 17825 2595 1 8 . 1 1 67 67 ARG H H 67 7.452 7.452 7.804 -0.352 17825 2596 1 8 . 1 1 68 68 TYR N N 68 115.660 115.660 120.637 -4.977 17825 2597 1 8 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.508 0.262 17825 2598 1 8 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.658 -1.227 17825 2599 1 8 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.133 1.498 17825 2600 1 8 . 1 1 68 68 TYR H H 68 8.712 8.712 8.367 0.345 17825 2601 1 8 . 1 1 69 69 GLY N N 69 109.947 109.947 108.945 1.002 17825 2602 1 8 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.545 -1.917 17825 2603 1 8 . 1 1 69 69 GLY H H 69 8.311 8.311 7.866 0.445 17825 2604 1 8 . 1 1 70 70 ARG N N 70 120.184 120.184 119.884 0.300 17825 2605 1 8 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.220 -0.052 17825 2606 1 8 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.502 2.322 17825 2607 1 8 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.491 0.696 17825 2608 1 8 . 1 1 70 70 ARG H H 70 8.756 8.756 8.259 0.497 17825 2609 1 9 . 1 1 3 3 SER N N 3 115.996 115.996 112.290 3.706 17825 2610 1 9 . 1 1 3 3 SER HA H 3 4.428 4.428 4.115 0.313 17825 2611 1 9 . 1 1 3 3 SER CA C 3 56.636 56.636 59.159 -2.523 17825 2612 1 9 . 1 1 3 3 SER CB C 3 64.556 64.556 61.715 2.841 17825 2613 1 9 . 1 1 3 3 SER H H 3 8.840 8.840 8.764 0.076 17825 2614 1 9 . 1 1 4 4 TYR N N 4 119.562 119.562 121.276 -1.714 17825 2615 1 9 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.183 0.287 17825 2616 1 9 . 1 1 4 4 TYR CA C 4 57.964 57.964 61.047 -3.083 17825 2617 1 9 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.721 -0.517 17825 2618 1 9 . 1 1 4 4 TYR H H 4 8.255 8.255 8.500 -0.245 17825 2619 1 9 . 1 1 5 5 TYR N N 5 114.704 114.704 116.024 -1.320 17825 2620 1 9 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.222 -0.280 17825 2621 1 9 . 1 1 5 5 TYR CA C 5 61.713 61.713 58.691 3.022 17825 2622 1 9 . 1 1 5 5 TYR CB C 5 36.983 36.983 36.784 0.199 17825 2623 1 9 . 1 1 5 5 TYR H H 5 7.137 7.137 8.197 -1.060 17825 2624 1 9 . 1 1 6 6 GLU N N 6 119.884 119.884 118.041 1.843 17825 2625 1 9 . 1 1 6 6 GLU HA H 6 4.260 4.260 3.830 0.430 17825 2626 1 9 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.029 0.450 17825 2627 1 9 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.388 0.268 17825 2628 1 9 . 1 1 6 6 GLU H H 6 7.622 7.622 6.744 0.878 17825 2629 1 9 . 1 1 7 7 ILE N N 7 120.890 120.890 114.953 5.937 17825 2630 1 9 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.845 -0.105 17825 2631 1 9 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.977 -0.091 17825 2632 1 9 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.123 -0.097 17825 2633 1 9 . 1 1 7 7 ILE H H 7 8.174 8.174 7.827 0.347 17825 2634 1 9 . 1 1 8 8 LEU N N 8 115.091 115.091 118.098 -3.007 17825 2635 1 9 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.250 0.026 17825 2636 1 9 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.561 -1.899 17825 2637 1 9 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.088 -1.222 17825 2638 1 9 . 1 1 8 8 LEU H H 8 7.039 7.039 7.346 -0.307 17825 2639 1 9 . 1 1 9 9 ASP N N 9 119.283 119.283 113.576 5.707 17825 2640 1 9 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.615 -0.307 17825 2641 1 9 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.364 -0.049 17825 2642 1 9 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.774 -3.268 17825 2643 1 9 . 1 1 9 9 ASP H H 9 7.997 7.997 8.185 -0.188 17825 2644 1 9 . 1 1 10 10 VAL N N 10 111.344 111.344 115.536 -4.192 17825 2645 1 9 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.739 0.217 17825 2646 1 9 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.037 -1.251 17825 2647 1 9 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.655 0.011 17825 2648 1 9 . 1 1 10 10 VAL H H 10 8.115 8.115 7.831 0.284 17825 2649 1 9 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.677 -0.959 17825 2650 1 9 . 1 1 12 12 ARG N N 12 118.354 118.354 118.739 -0.385 17825 2651 1 9 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.542 -0.014 17825 2652 1 9 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.805 -1.159 17825 2653 1 9 . 1 1 12 12 ARG CB C 12 29.246 29.246 30.078 -0.832 17825 2654 1 9 . 1 1 12 12 ARG H H 12 8.291 8.291 8.708 -0.417 17825 2655 1 9 . 1 1 13 13 SER N N 13 107.420 107.420 112.849 -5.429 17825 2656 1 9 . 1 1 13 13 SER HA H 13 4.285 4.285 4.448 -0.163 17825 2657 1 9 . 1 1 13 13 SER CA C 13 56.468 56.468 58.578 -2.110 17825 2658 1 9 . 1 1 13 13 SER CB C 13 62.713 62.713 63.058 -0.345 17825 2659 1 9 . 1 1 13 13 SER H H 13 7.181 7.181 7.781 -0.600 17825 2660 1 9 . 1 1 14 14 ALA N N 14 124.202 124.202 126.161 -1.959 17825 2661 1 9 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.476 -0.150 17825 2662 1 9 . 1 1 14 14 ALA CA C 14 52.570 52.570 52.248 0.322 17825 2663 1 9 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.775 0.537 17825 2664 1 9 . 1 1 14 14 ALA H H 14 7.631 7.631 7.794 -0.163 17825 2665 1 9 . 1 1 15 15 SER N N 15 118.770 118.770 117.878 0.892 17825 2666 1 9 . 1 1 15 15 SER HA H 15 4.675 4.675 4.448 0.227 17825 2667 1 9 . 1 1 15 15 SER CA C 15 56.381 56.381 56.871 -0.490 17825 2668 1 9 . 1 1 15 15 SER CB C 15 65.323 65.323 64.418 0.904 17825 2669 1 9 . 1 1 15 15 SER H H 15 9.295 9.295 8.450 0.845 17825 2670 1 9 . 1 1 16 16 ALA N N 16 122.893 122.893 125.570 -2.677 17825 2671 1 9 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.092 0.052 17825 2672 1 9 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.474 -0.181 17825 2673 1 9 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.797 -0.492 17825 2674 1 9 . 1 1 16 16 ALA H H 16 9.025 9.025 8.834 0.191 17825 2675 1 9 . 1 1 17 17 ASP N N 17 118.305 118.305 117.526 0.779 17825 2676 1 9 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.439 0.066 17825 2677 1 9 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.859 -0.690 17825 2678 1 9 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.734 -0.012 17825 2679 1 9 . 1 1 17 17 ASP H H 17 8.403 8.403 8.632 -0.229 17825 2680 1 9 . 1 1 18 18 ASP N N 18 121.474 121.474 120.973 0.501 17825 2681 1 9 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.497 -0.088 17825 2682 1 9 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.162 -0.082 17825 2683 1 9 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.970 -0.771 17825 2684 1 9 . 1 1 18 18 ASP H H 18 8.062 8.062 7.752 0.310 17825 2685 1 9 . 1 1 19 19 ILE N N 19 122.227 122.227 120.926 1.301 17825 2686 1 9 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.784 -0.131 17825 2687 1 9 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.066 0.123 17825 2688 1 9 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.102 -0.293 17825 2689 1 9 . 1 1 19 19 ILE H H 19 8.181 8.181 8.159 0.022 17825 2690 1 9 . 1 1 20 20 LYS N N 20 120.936 120.936 120.632 0.304 17825 2691 1 9 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.942 0.259 17825 2692 1 9 . 1 1 20 20 LYS CA C 20 60.395 60.395 60.121 0.274 17825 2693 1 9 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.370 0.069 17825 2694 1 9 . 1 1 20 20 LYS H H 20 8.035 8.035 8.278 -0.243 17825 2695 1 9 . 1 1 21 21 LYS N N 21 118.610 118.610 118.404 0.206 17825 2696 1 9 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.113 -0.146 17825 2697 1 9 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.350 1.356 17825 2698 1 9 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.875 0.703 17825 2699 1 9 . 1 1 21 21 LYS H H 21 8.204 8.204 7.947 0.257 17825 2700 1 9 . 1 1 22 22 ALA N N 22 122.873 122.873 123.299 -0.426 17825 2701 1 9 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.056 0.119 17825 2702 1 9 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.173 -0.378 17825 2703 1 9 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.180 1.622 17825 2704 1 9 . 1 1 22 22 ALA H H 22 8.091 8.091 8.249 -0.158 17825 2705 1 9 . 1 1 23 23 TYR N N 23 118.422 118.422 119.928 -1.506 17825 2706 1 9 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.013 -0.064 17825 2707 1 9 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.329 -0.879 17825 2708 1 9 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.987 0.554 17825 2709 1 9 . 1 1 23 23 TYR H H 23 8.527 8.527 8.435 0.092 17825 2710 1 9 . 1 1 24 24 ARG N N 24 117.379 117.379 119.167 -1.788 17825 2711 1 9 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.514 -0.052 17825 2712 1 9 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.849 -0.927 17825 2713 1 9 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.147 -0.601 17825 2714 1 9 . 1 1 24 24 ARG H H 24 7.878 7.878 7.903 -0.025 17825 2715 1 9 . 1 1 25 25 ARG N N 25 117.097 117.097 119.021 -1.924 17825 2716 1 9 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.970 0.076 17825 2717 1 9 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.145 0.240 17825 2718 1 9 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.591 0.841 17825 2719 1 9 . 1 1 25 25 ARG H H 25 7.612 7.612 8.688 -1.076 17825 2720 1 9 . 1 1 26 26 LYS N N 26 120.499 120.499 120.444 0.055 17825 2721 1 9 . 1 1 26 26 LYS HA H 26 4.207 4.207 3.990 0.217 17825 2722 1 9 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.903 -1.741 17825 2723 1 9 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.532 0.583 17825 2724 1 9 . 1 1 26 26 LYS H H 26 8.460 8.460 7.718 0.742 17825 2725 1 9 . 1 1 27 27 ALA N N 27 122.515 122.515 122.309 0.206 17825 2726 1 9 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.130 -0.165 17825 2727 1 9 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.719 -0.077 17825 2728 1 9 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.230 -0.933 17825 2729 1 9 . 1 1 27 27 ALA H H 27 9.009 9.009 7.867 1.142 17825 2730 1 9 . 1 1 28 28 LEU N N 28 116.108 116.108 119.412 -3.304 17825 2731 1 9 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.763 0.377 17825 2732 1 9 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.263 -0.447 17825 2733 1 9 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.420 0.435 17825 2734 1 9 . 1 1 28 28 LEU H H 28 7.149 7.149 8.269 -1.120 17825 2735 1 9 . 1 1 29 29 GLN N N 29 118.295 118.295 119.312 -1.017 17825 2736 1 9 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.893 -0.167 17825 2737 1 9 . 1 1 29 29 GLN CA C 29 58.194 58.194 57.921 0.273 17825 2738 1 9 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.191 -0.059 17825 2739 1 9 . 1 1 29 29 GLN H H 29 7.552 7.552 7.713 -0.161 17825 2740 1 9 . 1 1 30 30 TRP N N 30 114.410 114.410 116.969 -2.559 17825 2741 1 9 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.721 0.390 17825 2742 1 9 . 1 1 30 30 TRP CA C 30 55.313 55.313 55.854 -0.541 17825 2743 1 9 . 1 1 30 30 TRP CB C 30 30.039 30.039 30.077 -0.038 17825 2744 1 9 . 1 1 30 30 TRP H H 30 7.713 7.713 7.054 0.659 17825 2745 1 9 . 1 1 31 31 HIS N N 31 121.533 121.533 119.885 1.648 17825 2746 1 9 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.726 -0.760 17825 2747 1 9 . 1 1 31 31 HIS CA C 31 56.612 56.612 54.272 2.340 17825 2748 1 9 . 1 1 31 31 HIS CB C 31 31.108 31.108 30.862 0.246 17825 2749 1 9 . 1 1 31 31 HIS H H 31 7.299 7.299 7.411 -0.112 17825 2750 1 9 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.440 -0.348 17825 2751 1 9 . 1 1 33 33 ASP N N 33 120.057 120.057 116.720 3.337 17825 2752 1 9 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.423 0.048 17825 2753 1 9 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.473 0.061 17825 2754 1 9 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.968 -1.137 17825 2755 1 9 . 1 1 33 33 ASP H H 33 10.765 10.765 8.412 2.353 17825 2756 1 9 . 1 1 34 34 LYS N N 34 116.570 116.570 117.674 -1.104 17825 2757 1 9 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.368 0.080 17825 2758 1 9 . 1 1 34 34 LYS CA C 34 54.078 54.078 56.148 -2.070 17825 2759 1 9 . 1 1 34 34 LYS CB C 34 32.455 32.455 34.238 -1.783 17825 2760 1 9 . 1 1 34 34 LYS H H 34 7.842 7.842 7.823 0.019 17825 2761 1 9 . 1 1 35 35 ASN N N 35 118.970 118.970 119.305 -0.335 17825 2762 1 9 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.147 0.144 17825 2763 1 9 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.018 2.003 17825 2764 1 9 . 1 1 35 35 ASN CB C 35 42.197 42.197 40.592 1.605 17825 2765 1 9 . 1 1 35 35 ASN H H 35 7.588 7.588 8.359 -0.771 17825 2766 1 9 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.483 -0.132 17825 2767 1 9 . 1 1 37 37 ASP N N 37 116.874 116.874 114.454 2.420 17825 2768 1 9 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.556 0.221 17825 2769 1 9 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.413 -0.376 17825 2770 1 9 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.011 -0.200 17825 2771 1 9 . 1 1 37 37 ASP H H 37 8.521 8.521 8.393 0.128 17825 2772 1 9 . 1 1 38 38 ASN N N 38 120.484 120.484 118.500 1.984 17825 2773 1 9 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.715 0.393 17825 2774 1 9 . 1 1 38 38 ASN CA C 38 51.780 51.780 52.877 -1.097 17825 2775 1 9 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.247 0.447 17825 2776 1 9 . 1 1 38 38 ASN H H 38 7.901 7.901 8.187 -0.286 17825 2777 1 9 . 1 1 39 39 LYS N N 39 121.973 121.973 125.413 -3.440 17825 2778 1 9 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.379 -0.360 17825 2779 1 9 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.142 3.581 17825 2780 1 9 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.605 0.665 17825 2781 1 9 . 1 1 39 39 LYS H H 39 8.362 8.362 8.409 -0.047 17825 2782 1 9 . 1 1 40 40 GLU N N 40 119.447 119.447 121.327 -1.880 17825 2783 1 9 . 1 1 40 40 GLU HA H 40 4.105 4.105 3.996 0.109 17825 2784 1 9 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.626 0.186 17825 2785 1 9 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.242 -0.665 17825 2786 1 9 . 1 1 40 40 GLU H H 40 8.746 8.746 7.987 0.759 17825 2787 1 9 . 1 1 41 41 PHE N N 41 121.498 121.498 117.505 3.993 17825 2788 1 9 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.276 -0.105 17825 2789 1 9 . 1 1 41 41 PHE CA C 41 60.572 60.572 59.973 0.599 17825 2790 1 9 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.081 1.419 17825 2791 1 9 . 1 1 41 41 PHE H H 41 8.273 8.273 7.832 0.441 17825 2792 1 9 . 1 1 42 42 ALA N N 42 120.231 120.231 122.137 -1.906 17825 2793 1 9 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.877 0.234 17825 2794 1 9 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.302 -0.226 17825 2795 1 9 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.339 -0.223 17825 2796 1 9 . 1 1 42 42 ALA H H 42 8.238 8.238 7.957 0.281 17825 2797 1 9 . 1 1 43 43 GLU N N 43 117.279 117.279 117.253 0.026 17825 2798 1 9 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.073 -0.031 17825 2799 1 9 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.930 0.822 17825 2800 1 9 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.151 0.115 17825 2801 1 9 . 1 1 43 43 GLU H H 43 8.523 8.523 8.686 -0.163 17825 2802 1 9 . 1 1 44 44 LYS N N 44 119.444 119.444 120.265 -0.821 17825 2803 1 9 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.084 -0.133 17825 2804 1 9 . 1 1 44 44 LYS CA C 44 59.450 59.450 58.818 0.632 17825 2805 1 9 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.025 -0.419 17825 2806 1 9 . 1 1 44 44 LYS H H 44 7.356 7.356 7.786 -0.430 17825 2807 1 9 . 1 1 45 45 LYS N N 45 119.401 119.401 118.926 0.475 17825 2808 1 9 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.035 -0.435 17825 2809 1 9 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.262 -1.989 17825 2810 1 9 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.546 -2.164 17825 2811 1 9 . 1 1 45 45 LYS H H 45 7.584 7.584 8.063 -0.479 17825 2812 1 9 . 1 1 46 46 PHE N N 46 121.408 121.408 122.039 -0.631 17825 2813 1 9 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.235 -0.304 17825 2814 1 9 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.491 0.071 17825 2815 1 9 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.084 -0.069 17825 2816 1 9 . 1 1 46 46 PHE H H 46 9.323 9.323 8.128 1.195 17825 2817 1 9 . 1 1 47 47 LYS N N 47 119.512 119.512 119.185 0.327 17825 2818 1 9 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.898 0.015 17825 2819 1 9 . 1 1 47 47 LYS CA C 47 59.350 59.350 60.008 -0.658 17825 2820 1 9 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.228 -0.344 17825 2821 1 9 . 1 1 47 47 LYS H H 47 8.147 8.147 8.551 -0.404 17825 2822 1 9 . 1 1 48 48 GLU N N 48 119.665 119.665 119.503 0.162 17825 2823 1 9 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.066 0.032 17825 2824 1 9 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.272 -0.279 17825 2825 1 9 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.474 0.114 17825 2826 1 9 . 1 1 48 48 GLU H H 48 7.540 7.540 8.120 -0.580 17825 2827 1 9 . 1 1 49 49 VAL N N 49 120.333 120.333 119.964 0.369 17825 2828 1 9 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.792 -0.326 17825 2829 1 9 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.528 0.092 17825 2830 1 9 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.697 0.094 17825 2831 1 9 . 1 1 49 49 VAL H H 49 7.727 7.727 7.969 -0.242 17825 2832 1 9 . 1 1 50 50 ALA N N 50 122.082 122.082 122.131 -0.049 17825 2833 1 9 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.756 0.185 17825 2834 1 9 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.418 -0.321 17825 2835 1 9 . 1 1 50 50 ALA CB C 50 17.874 17.874 17.870 0.004 17825 2836 1 9 . 1 1 50 50 ALA H H 50 8.070 8.070 8.132 -0.062 17825 2837 1 9 . 1 1 51 51 GLU N N 51 119.977 119.977 117.785 2.192 17825 2838 1 9 . 1 1 51 51 GLU HA H 51 3.819 3.819 4.004 -0.185 17825 2839 1 9 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.813 -0.122 17825 2840 1 9 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.401 -0.035 17825 2841 1 9 . 1 1 51 51 GLU H H 51 7.888 7.888 7.995 -0.107 17825 2842 1 9 . 1 1 52 52 ALA N N 52 119.318 119.318 122.106 -2.788 17825 2843 1 9 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.017 0.322 17825 2844 1 9 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.540 -1.904 17825 2845 1 9 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.334 0.496 17825 2846 1 9 . 1 1 52 52 ALA H H 52 7.727 7.727 7.683 0.044 17825 2847 1 9 . 1 1 53 53 TYR N N 53 116.011 116.011 119.990 -3.979 17825 2848 1 9 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.088 -0.390 17825 2849 1 9 . 1 1 53 53 TYR CA C 53 60.445 60.445 61.136 -0.691 17825 2850 1 9 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.669 0.725 17825 2851 1 9 . 1 1 53 53 TYR H H 53 8.245 8.245 8.902 -0.657 17825 2852 1 9 . 1 1 54 54 GLU N N 54 122.173 122.173 119.699 2.474 17825 2853 1 9 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.618 -0.275 17825 2854 1 9 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.700 0.347 17825 2855 1 9 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.601 0.352 17825 2856 1 9 . 1 1 54 54 GLU H H 54 8.125 8.125 7.700 0.425 17825 2857 1 9 . 1 1 55 55 VAL N N 55 115.105 115.105 119.030 -3.925 17825 2858 1 9 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.709 -0.281 17825 2859 1 9 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.289 -0.062 17825 2860 1 9 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.673 0.103 17825 2861 1 9 . 1 1 55 55 VAL H H 55 6.790 6.790 7.527 -0.737 17825 2862 1 9 . 1 1 56 56 LEU N N 56 111.133 111.133 119.416 -8.283 17825 2863 1 9 . 1 1 56 56 LEU HA H 56 3.690 3.690 4.054 -0.364 17825 2864 1 9 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.374 -0.115 17825 2865 1 9 . 1 1 56 56 LEU CB C 56 41.662 41.662 40.337 1.325 17825 2866 1 9 . 1 1 56 56 LEU H H 56 7.737 7.737 7.557 0.180 17825 2867 1 9 . 1 1 57 57 SER N N 57 109.014 109.014 111.830 -2.816 17825 2868 1 9 . 1 1 57 57 SER HA H 57 3.960 3.960 4.064 -0.104 17825 2869 1 9 . 1 1 57 57 SER CA C 57 58.594 58.594 59.484 -0.890 17825 2870 1 9 . 1 1 57 57 SER CB C 57 63.191 63.191 62.982 0.209 17825 2871 1 9 . 1 1 57 57 SER H H 57 7.808 7.808 7.328 0.480 17825 2872 1 9 . 1 1 58 58 ASP N N 58 125.471 125.471 120.557 4.914 17825 2873 1 9 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.685 0.118 17825 2874 1 9 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.020 -0.894 17825 2875 1 9 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.909 0.565 17825 2876 1 9 . 1 1 58 58 ASP H H 58 7.029 7.029 7.292 -0.263 17825 2877 1 9 . 1 1 59 59 LYS N N 59 125.812 125.812 128.232 -2.420 17825 2878 1 9 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.944 -0.080 17825 2879 1 9 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.751 0.047 17825 2880 1 9 . 1 1 59 59 LYS CB C 59 32.240 32.240 31.787 0.454 17825 2881 1 9 . 1 1 59 59 LYS H H 59 8.731 8.731 8.815 -0.084 17825 2882 1 9 . 1 1 60 60 HIS N N 60 116.930 116.930 120.834 -3.904 17825 2883 1 9 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.740 -0.157 17825 2884 1 9 . 1 1 60 60 HIS CA C 60 58.451 58.451 58.905 -0.454 17825 2885 1 9 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.593 -0.420 17825 2886 1 9 . 1 1 60 60 HIS H H 60 8.066 8.066 7.770 0.296 17825 2887 1 9 . 1 1 61 61 LYS N N 61 120.552 120.552 119.859 0.693 17825 2888 1 9 . 1 1 61 61 LYS HA H 61 3.892 3.892 3.903 -0.011 17825 2889 1 9 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.737 1.116 17825 2890 1 9 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.976 0.874 17825 2891 1 9 . 1 1 61 61 LYS H H 61 8.593 8.593 8.857 -0.264 17825 2892 1 9 . 1 1 62 62 ARG N N 62 120.957 120.957 118.504 2.453 17825 2893 1 9 . 1 1 62 62 ARG HA H 62 3.710 3.710 3.950 -0.240 17825 2894 1 9 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.959 0.291 17825 2895 1 9 . 1 1 62 62 ARG CB C 62 29.223 29.223 30.139 -0.916 17825 2896 1 9 . 1 1 62 62 ARG H H 62 9.265 9.265 8.229 1.036 17825 2897 1 9 . 1 1 63 63 GLU N N 63 117.661 117.661 119.602 -1.941 17825 2898 1 9 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.130 0.023 17825 2899 1 9 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.097 0.098 17825 2900 1 9 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.177 -0.277 17825 2901 1 9 . 1 1 63 63 GLU H H 63 7.562 7.562 7.666 -0.104 17825 2902 1 9 . 1 1 64 64 ILE N N 64 119.447 119.447 121.149 -1.702 17825 2903 1 9 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.711 0.131 17825 2904 1 9 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.345 0.556 17825 2905 1 9 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.351 1.176 17825 2906 1 9 . 1 1 64 64 ILE H H 64 7.597 7.597 7.740 -0.143 17825 2907 1 9 . 1 1 65 65 TYR N N 65 122.673 122.673 121.119 1.554 17825 2908 1 9 . 1 1 65 65 TYR HA H 65 4.122 4.122 3.977 0.145 17825 2909 1 9 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.016 -1.087 17825 2910 1 9 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.229 0.646 17825 2911 1 9 . 1 1 65 65 TYR H H 65 8.989 8.989 8.563 0.426 17825 2912 1 9 . 1 1 66 66 ASP N N 66 121.011 121.011 117.500 3.511 17825 2913 1 9 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.171 0.177 17825 2914 1 9 . 1 1 66 66 ASP CA C 66 56.559 56.559 56.844 -0.285 17825 2915 1 9 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.370 -1.778 17825 2916 1 9 . 1 1 66 66 ASP H H 66 9.331 9.331 7.705 1.626 17825 2917 1 9 . 1 1 67 67 ARG N N 67 117.684 117.684 118.358 -0.674 17825 2918 1 9 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.224 -0.139 17825 2919 1 9 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.212 -0.703 17825 2920 1 9 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.510 1.048 17825 2921 1 9 . 1 1 67 67 ARG H H 67 7.452 7.452 8.082 -0.630 17825 2922 1 9 . 1 1 68 68 TYR N N 68 115.660 115.660 120.395 -4.735 17825 2923 1 9 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.596 0.174 17825 2924 1 9 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.773 -1.342 17825 2925 1 9 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.593 1.038 17825 2926 1 9 . 1 1 68 68 TYR H H 68 8.712 8.712 8.428 0.284 17825 2927 1 9 . 1 1 69 69 GLY N N 69 109.947 109.947 108.220 1.727 17825 2928 1 9 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.524 -1.896 17825 2929 1 9 . 1 1 69 69 GLY H H 69 8.311 8.311 7.844 0.467 17825 2930 1 9 . 1 1 70 70 ARG N N 70 120.184 120.184 119.382 0.802 17825 2931 1 9 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.135 0.033 17825 2932 1 9 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.365 2.459 17825 2933 1 9 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.750 0.437 17825 2934 1 9 . 1 1 70 70 ARG H H 70 8.756 8.756 8.201 0.555 17825 2935 1 10 . 1 1 3 3 SER N N 3 115.996 115.996 120.508 -4.512 17825 2936 1 10 . 1 1 3 3 SER HA H 3 4.428 4.428 3.115 1.313 17825 2937 1 10 . 1 1 3 3 SER CA C 3 56.636 56.636 58.256 -1.620 17825 2938 1 10 . 1 1 3 3 SER CB C 3 64.556 64.556 61.931 2.625 17825 2939 1 10 . 1 1 3 3 SER H H 3 8.840 8.840 7.985 0.855 17825 2940 1 10 . 1 1 4 4 TYR N N 4 119.562 119.562 121.675 -2.113 17825 2941 1 10 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.069 0.401 17825 2942 1 10 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.986 -3.022 17825 2943 1 10 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.388 -0.184 17825 2944 1 10 . 1 1 4 4 TYR H H 4 8.255 8.255 7.603 0.652 17825 2945 1 10 . 1 1 5 5 TYR N N 5 114.704 114.704 115.790 -1.086 17825 2946 1 10 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.625 -0.683 17825 2947 1 10 . 1 1 5 5 TYR CA C 5 61.713 61.713 58.420 3.293 17825 2948 1 10 . 1 1 5 5 TYR CB C 5 36.983 36.983 36.969 0.014 17825 2949 1 10 . 1 1 5 5 TYR H H 5 7.137 7.137 7.279 -0.142 17825 2950 1 10 . 1 1 6 6 GLU N N 6 119.884 119.884 117.783 2.101 17825 2951 1 10 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.220 0.040 17825 2952 1 10 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.144 0.335 17825 2953 1 10 . 1 1 6 6 GLU CB C 6 29.656 29.656 30.020 -0.364 17825 2954 1 10 . 1 1 6 6 GLU H H 6 7.622 7.622 7.361 0.261 17825 2955 1 10 . 1 1 7 7 ILE N N 7 120.890 120.890 115.941 4.949 17825 2956 1 10 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.997 -0.257 17825 2957 1 10 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.330 0.556 17825 2958 1 10 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.116 -0.090 17825 2959 1 10 . 1 1 7 7 ILE H H 7 8.174 8.174 7.323 0.851 17825 2960 1 10 . 1 1 8 8 LEU N N 8 115.091 115.091 119.083 -3.992 17825 2961 1 10 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.497 -0.221 17825 2962 1 10 . 1 1 8 8 LEU CA C 8 54.662 54.662 57.623 -2.961 17825 2963 1 10 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.030 -2.164 17825 2964 1 10 . 1 1 8 8 LEU H H 8 7.039 7.039 8.084 -1.045 17825 2965 1 10 . 1 1 9 9 ASP N N 9 119.283 119.283 114.333 4.950 17825 2966 1 10 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.719 -0.411 17825 2967 1 10 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.962 -0.647 17825 2968 1 10 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.608 -3.102 17825 2969 1 10 . 1 1 9 9 ASP H H 9 7.997 7.997 8.517 -0.520 17825 2970 1 10 . 1 1 10 10 VAL N N 10 111.344 111.344 114.414 -3.070 17825 2971 1 10 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.755 0.201 17825 2972 1 10 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.204 -1.418 17825 2973 1 10 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.837 -0.171 17825 2974 1 10 . 1 1 10 10 VAL H H 10 8.115 8.115 7.659 0.456 17825 2975 1 10 . 1 1 11 11 PRO HA H 11 3.718 3.718 5.072 -1.354 17825 2976 1 10 . 1 1 12 12 ARG N N 12 118.354 118.354 121.457 -3.103 17825 2977 1 10 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.033 0.495 17825 2978 1 10 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.963 -1.317 17825 2979 1 10 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.385 -0.139 17825 2980 1 10 . 1 1 12 12 ARG H H 12 8.291 8.291 9.054 -0.763 17825 2981 1 10 . 1 1 13 13 SER N N 13 107.420 107.420 113.659 -6.239 17825 2982 1 10 . 1 1 13 13 SER HA H 13 4.285 4.285 4.394 -0.109 17825 2983 1 10 . 1 1 13 13 SER CA C 13 56.468 56.468 58.534 -2.066 17825 2984 1 10 . 1 1 13 13 SER CB C 13 62.713 62.713 63.030 -0.317 17825 2985 1 10 . 1 1 13 13 SER H H 13 7.181 7.181 7.873 -0.692 17825 2986 1 10 . 1 1 14 14 ALA N N 14 124.202 124.202 125.548 -1.346 17825 2987 1 10 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.387 -0.061 17825 2988 1 10 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.839 0.731 17825 2989 1 10 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.870 0.442 17825 2990 1 10 . 1 1 14 14 ALA H H 14 7.631 7.631 7.516 0.115 17825 2991 1 10 . 1 1 15 15 SER N N 15 118.770 118.770 116.716 2.054 17825 2992 1 10 . 1 1 15 15 SER HA H 15 4.675 4.675 4.296 0.379 17825 2993 1 10 . 1 1 15 15 SER CA C 15 56.381 56.381 57.531 -1.150 17825 2994 1 10 . 1 1 15 15 SER CB C 15 65.323 65.323 64.186 1.137 17825 2995 1 10 . 1 1 15 15 SER H H 15 9.295 9.295 8.456 0.839 17825 2996 1 10 . 1 1 16 16 ALA N N 16 122.893 122.893 127.018 -4.125 17825 2997 1 10 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.084 0.060 17825 2998 1 10 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.318 -0.025 17825 2999 1 10 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.749 -0.444 17825 3000 1 10 . 1 1 16 16 ALA H H 16 9.025 9.025 8.805 0.220 17825 3001 1 10 . 1 1 17 17 ASP N N 17 118.305 118.305 117.381 0.924 17825 3002 1 10 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.407 0.098 17825 3003 1 10 . 1 1 17 17 ASP CA C 17 57.169 57.169 56.971 0.198 17825 3004 1 10 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.892 -0.170 17825 3005 1 10 . 1 1 17 17 ASP H H 17 8.403 8.403 8.531 -0.128 17825 3006 1 10 . 1 1 18 18 ASP N N 18 121.474 121.474 120.652 0.822 17825 3007 1 10 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.393 0.016 17825 3008 1 10 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.907 -0.827 17825 3009 1 10 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.682 -0.483 17825 3010 1 10 . 1 1 18 18 ASP H H 18 8.062 8.062 7.861 0.201 17825 3011 1 10 . 1 1 19 19 ILE N N 19 122.227 122.227 120.221 2.006 17825 3012 1 10 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.716 -0.063 17825 3013 1 10 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.257 -0.068 17825 3014 1 10 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.000 -0.191 17825 3015 1 10 . 1 1 19 19 ILE H H 19 8.181 8.181 7.693 0.488 17825 3016 1 10 . 1 1 20 20 LYS N N 20 120.936 120.936 120.278 0.658 17825 3017 1 10 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.805 0.396 17825 3018 1 10 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.883 0.512 17825 3019 1 10 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.263 0.176 17825 3020 1 10 . 1 1 20 20 LYS H H 20 8.035 8.035 7.821 0.214 17825 3021 1 10 . 1 1 21 21 LYS N N 21 118.610 118.610 118.916 -0.306 17825 3022 1 10 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.071 -0.104 17825 3023 1 10 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.499 1.207 17825 3024 1 10 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.924 0.653 17825 3025 1 10 . 1 1 21 21 LYS H H 21 8.204 8.204 8.389 -0.185 17825 3026 1 10 . 1 1 22 22 ALA N N 22 122.873 122.873 123.521 -0.648 17825 3027 1 10 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.062 0.113 17825 3028 1 10 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.157 -0.362 17825 3029 1 10 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.278 1.524 17825 3030 1 10 . 1 1 22 22 ALA H H 22 8.091 8.091 8.480 -0.389 17825 3031 1 10 . 1 1 23 23 TYR N N 23 118.422 118.422 119.754 -1.332 17825 3032 1 10 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.022 -0.073 17825 3033 1 10 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.133 -0.683 17825 3034 1 10 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.938 0.603 17825 3035 1 10 . 1 1 23 23 TYR H H 23 8.527 8.527 8.097 0.430 17825 3036 1 10 . 1 1 24 24 ARG N N 24 117.379 117.379 118.091 -0.712 17825 3037 1 10 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.332 0.130 17825 3038 1 10 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.471 -0.549 17825 3039 1 10 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.869 -0.323 17825 3040 1 10 . 1 1 24 24 ARG H H 24 7.878 7.878 7.769 0.109 17825 3041 1 10 . 1 1 25 25 ARG N N 25 117.097 117.097 120.365 -3.268 17825 3042 1 10 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.942 0.104 17825 3043 1 10 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.493 -0.109 17825 3044 1 10 . 1 1 25 25 ARG CB C 25 30.432 30.432 30.067 0.365 17825 3045 1 10 . 1 1 25 25 ARG H H 25 7.612 7.612 8.374 -0.762 17825 3046 1 10 . 1 1 26 26 LYS N N 26 120.499 120.499 119.282 1.217 17825 3047 1 10 . 1 1 26 26 LYS HA H 26 4.207 4.207 3.956 0.251 17825 3048 1 10 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.231 -2.069 17825 3049 1 10 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.469 0.646 17825 3050 1 10 . 1 1 26 26 LYS H H 26 8.460 8.460 7.984 0.475 17825 3051 1 10 . 1 1 27 27 ALA N N 27 122.515 122.515 122.201 0.314 17825 3052 1 10 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.256 -0.291 17825 3053 1 10 . 1 1 27 27 ALA CA C 27 54.642 54.642 55.093 -0.451 17825 3054 1 10 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.461 -1.164 17825 3055 1 10 . 1 1 27 27 ALA H H 27 9.009 9.009 8.051 0.958 17825 3056 1 10 . 1 1 28 28 LEU N N 28 116.108 116.108 116.914 -0.806 17825 3057 1 10 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.014 0.126 17825 3058 1 10 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.357 -0.541 17825 3059 1 10 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.232 0.623 17825 3060 1 10 . 1 1 28 28 LEU H H 28 7.149 7.149 7.716 -0.567 17825 3061 1 10 . 1 1 29 29 GLN N N 29 118.295 118.295 118.549 -0.254 17825 3062 1 10 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.813 -0.087 17825 3063 1 10 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.251 -0.057 17825 3064 1 10 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.202 -0.070 17825 3065 1 10 . 1 1 29 29 GLN H H 29 7.552 7.552 7.681 -0.129 17825 3066 1 10 . 1 1 30 30 TRP N N 30 114.410 114.410 115.273 -0.863 17825 3067 1 10 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.658 0.453 17825 3068 1 10 . 1 1 30 30 TRP CA C 30 55.313 55.313 55.590 -0.277 17825 3069 1 10 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.927 0.112 17825 3070 1 10 . 1 1 30 30 TRP H H 30 7.713 7.713 7.230 0.483 17825 3071 1 10 . 1 1 31 31 HIS N N 31 121.533 121.533 121.781 -0.248 17825 3072 1 10 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.623 -0.657 17825 3073 1 10 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.468 0.144 17825 3074 1 10 . 1 1 31 31 HIS CB C 31 31.108 31.108 32.125 -1.017 17825 3075 1 10 . 1 1 31 31 HIS H H 31 7.299 7.299 7.303 -0.004 17825 3076 1 10 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.128 -0.036 17825 3077 1 10 . 1 1 33 33 ASP N N 33 120.057 120.057 116.436 3.621 17825 3078 1 10 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.399 0.072 17825 3079 1 10 . 1 1 33 33 ASP CA C 33 56.534 56.534 55.620 0.914 17825 3080 1 10 . 1 1 33 33 ASP CB C 33 39.831 39.831 39.909 -0.078 17825 3081 1 10 . 1 1 33 33 ASP H H 33 10.765 10.765 8.308 2.457 17825 3082 1 10 . 1 1 34 34 LYS N N 34 116.570 116.570 119.021 -2.451 17825 3083 1 10 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.382 0.066 17825 3084 1 10 . 1 1 34 34 LYS CA C 34 54.078 54.078 55.756 -1.678 17825 3085 1 10 . 1 1 34 34 LYS CB C 34 32.455 32.455 32.953 -0.497 17825 3086 1 10 . 1 1 34 34 LYS H H 34 7.842 7.842 7.858 -0.016 17825 3087 1 10 . 1 1 35 35 ASN N N 35 118.970 118.970 118.646 0.324 17825 3088 1 10 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.970 0.321 17825 3089 1 10 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.629 1.392 17825 3090 1 10 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.489 2.708 17825 3091 1 10 . 1 1 35 35 ASN H H 35 7.588 7.588 7.237 0.351 17825 3092 1 10 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.568 -0.217 17825 3093 1 10 . 1 1 37 37 ASP N N 37 116.874 116.874 115.303 1.571 17825 3094 1 10 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.654 0.123 17825 3095 1 10 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.830 -0.793 17825 3096 1 10 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.497 -0.685 17825 3097 1 10 . 1 1 37 37 ASP H H 37 8.521 8.521 8.500 0.021 17825 3098 1 10 . 1 1 38 38 ASN N N 38 120.484 120.484 119.252 1.232 17825 3099 1 10 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.915 0.193 17825 3100 1 10 . 1 1 38 38 ASN CA C 38 51.780 51.780 52.835 -1.055 17825 3101 1 10 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.601 0.093 17825 3102 1 10 . 1 1 38 38 ASN H H 38 7.901 7.901 8.237 -0.336 17825 3103 1 10 . 1 1 39 39 LYS N N 39 121.973 121.973 122.997 -1.024 17825 3104 1 10 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.285 -0.266 17825 3105 1 10 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.366 3.357 17825 3106 1 10 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.904 0.366 17825 3107 1 10 . 1 1 39 39 LYS H H 39 8.362 8.362 8.451 -0.089 17825 3108 1 10 . 1 1 40 40 GLU N N 40 119.447 119.447 121.626 -2.179 17825 3109 1 10 . 1 1 40 40 GLU HA H 40 4.105 4.105 3.988 0.117 17825 3110 1 10 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.955 -0.143 17825 3111 1 10 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.153 -0.576 17825 3112 1 10 . 1 1 40 40 GLU H H 40 8.746 8.746 8.579 0.167 17825 3113 1 10 . 1 1 41 41 PHE N N 41 121.498 121.498 114.879 6.619 17825 3114 1 10 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.354 -0.183 17825 3115 1 10 . 1 1 41 41 PHE CA C 41 60.572 60.572 59.913 0.659 17825 3116 1 10 . 1 1 41 41 PHE CB C 41 39.500 39.500 37.954 1.546 17825 3117 1 10 . 1 1 41 41 PHE H H 41 8.273 8.273 8.042 0.231 17825 3118 1 10 . 1 1 42 42 ALA N N 42 120.231 120.231 123.346 -3.115 17825 3119 1 10 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.499 0.612 17825 3120 1 10 . 1 1 42 42 ALA CA C 42 55.076 55.076 54.743 0.333 17825 3121 1 10 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.159 -0.043 17825 3122 1 10 . 1 1 42 42 ALA H H 42 8.238 8.238 7.382 0.856 17825 3123 1 10 . 1 1 43 43 GLU N N 43 117.279 117.279 117.219 0.060 17825 3124 1 10 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.970 0.072 17825 3125 1 10 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.897 0.855 17825 3126 1 10 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.152 0.114 17825 3127 1 10 . 1 1 43 43 GLU H H 43 8.523 8.523 8.573 -0.050 17825 3128 1 10 . 1 1 44 44 LYS N N 44 119.444 119.444 120.575 -1.131 17825 3129 1 10 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.068 -0.117 17825 3130 1 10 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.176 0.274 17825 3131 1 10 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.057 -0.451 17825 3132 1 10 . 1 1 44 44 LYS H H 44 7.356 7.356 7.710 -0.354 17825 3133 1 10 . 1 1 45 45 LYS N N 45 119.401 119.401 119.396 0.005 17825 3134 1 10 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.091 -0.491 17825 3135 1 10 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.558 -2.285 17825 3136 1 10 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.906 -2.524 17825 3137 1 10 . 1 1 45 45 LYS H H 45 7.584 7.584 8.156 -0.572 17825 3138 1 10 . 1 1 46 46 PHE N N 46 121.408 121.408 121.363 0.045 17825 3139 1 10 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.241 -0.310 17825 3140 1 10 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.783 -0.221 17825 3141 1 10 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.063 -0.047 17825 3142 1 10 . 1 1 46 46 PHE H H 46 9.323 9.323 8.524 0.799 17825 3143 1 10 . 1 1 47 47 LYS N N 47 119.512 119.512 119.542 -0.030 17825 3144 1 10 . 1 1 47 47 LYS HA H 47 3.913 3.913 4.025 -0.112 17825 3145 1 10 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.169 0.181 17825 3146 1 10 . 1 1 47 47 LYS CB C 47 31.885 31.885 31.984 -0.099 17825 3147 1 10 . 1 1 47 47 LYS H H 47 8.147 8.147 8.303 -0.156 17825 3148 1 10 . 1 1 48 48 GLU N N 48 119.665 119.665 119.126 0.539 17825 3149 1 10 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.070 0.028 17825 3150 1 10 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.302 -0.309 17825 3151 1 10 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.497 0.091 17825 3152 1 10 . 1 1 48 48 GLU H H 48 7.540 7.540 7.903 -0.363 17825 3153 1 10 . 1 1 49 49 VAL N N 49 120.333 120.333 120.333 0.000 17825 3154 1 10 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.867 -0.401 17825 3155 1 10 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.399 0.221 17825 3156 1 10 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.826 -0.035 17825 3157 1 10 . 1 1 49 49 VAL H H 49 7.727 7.727 8.170 -0.443 17825 3158 1 10 . 1 1 50 50 ALA N N 50 122.082 122.082 122.053 0.029 17825 3159 1 10 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.769 0.172 17825 3160 1 10 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.447 -0.350 17825 3161 1 10 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.010 -0.136 17825 3162 1 10 . 1 1 50 50 ALA H H 50 8.070 8.070 7.959 0.111 17825 3163 1 10 . 1 1 51 51 GLU N N 51 119.977 119.977 117.905 2.072 17825 3164 1 10 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.986 -0.167 17825 3165 1 10 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.811 -0.120 17825 3166 1 10 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.418 -0.052 17825 3167 1 10 . 1 1 51 51 GLU H H 51 7.888 7.888 8.230 -0.342 17825 3168 1 10 . 1 1 52 52 ALA N N 52 119.318 119.318 122.262 -2.944 17825 3169 1 10 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.023 0.316 17825 3170 1 10 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.639 -2.002 17825 3171 1 10 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.350 0.480 17825 3172 1 10 . 1 1 52 52 ALA H H 52 7.727 7.727 7.795 -0.068 17825 3173 1 10 . 1 1 53 53 TYR N N 53 116.011 116.011 119.268 -3.257 17825 3174 1 10 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.140 -0.442 17825 3175 1 10 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.878 -0.433 17825 3176 1 10 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.389 1.006 17825 3177 1 10 . 1 1 53 53 TYR H H 53 8.245 8.245 8.691 -0.446 17825 3178 1 10 . 1 1 54 54 GLU N N 54 122.173 122.173 120.210 1.963 17825 3179 1 10 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.175 0.168 17825 3180 1 10 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.930 0.118 17825 3181 1 10 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.999 -0.046 17825 3182 1 10 . 1 1 54 54 GLU H H 54 8.125 8.125 7.533 0.592 17825 3183 1 10 . 1 1 55 55 VAL N N 55 115.105 115.105 119.341 -4.236 17825 3184 1 10 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.696 -0.268 17825 3185 1 10 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.028 0.199 17825 3186 1 10 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.801 -0.025 17825 3187 1 10 . 1 1 55 55 VAL H H 55 6.790 6.790 7.682 -0.892 17825 3188 1 10 . 1 1 56 56 LEU N N 56 111.133 111.133 119.976 -8.843 17825 3189 1 10 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.836 -0.146 17825 3190 1 10 . 1 1 56 56 LEU CA C 56 56.259 56.259 57.209 -0.950 17825 3191 1 10 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.574 0.088 17825 3192 1 10 . 1 1 56 56 LEU H H 56 7.737 7.737 7.585 0.152 17825 3193 1 10 . 1 1 57 57 SER N N 57 109.014 109.014 111.916 -2.902 17825 3194 1 10 . 1 1 57 57 SER HA H 57 3.960 3.960 4.325 -0.365 17825 3195 1 10 . 1 1 57 57 SER CA C 57 58.594 58.594 60.799 -2.205 17825 3196 1 10 . 1 1 57 57 SER CB C 57 63.191 63.191 63.475 -0.284 17825 3197 1 10 . 1 1 57 57 SER H H 57 7.808 7.808 7.742 0.066 17825 3198 1 10 . 1 1 58 58 ASP N N 58 125.471 125.471 120.027 5.444 17825 3199 1 10 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.795 0.008 17825 3200 1 10 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.901 -0.774 17825 3201 1 10 . 1 1 58 58 ASP CB C 58 43.474 43.474 43.124 0.350 17825 3202 1 10 . 1 1 58 58 ASP H H 58 7.029 7.029 7.344 -0.315 17825 3203 1 10 . 1 1 59 59 LYS N N 59 125.812 125.812 125.250 0.562 17825 3204 1 10 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.966 -0.102 17825 3205 1 10 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.367 0.431 17825 3206 1 10 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.193 0.047 17825 3207 1 10 . 1 1 59 59 LYS H H 59 8.731 8.731 8.815 -0.084 17825 3208 1 10 . 1 1 60 60 HIS N N 60 116.930 116.930 117.707 -0.777 17825 3209 1 10 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.343 0.240 17825 3210 1 10 . 1 1 60 60 HIS CA C 60 58.451 58.451 60.055 -1.604 17825 3211 1 10 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.518 -0.345 17825 3212 1 10 . 1 1 60 60 HIS H H 60 8.066 8.066 7.761 0.305 17825 3213 1 10 . 1 1 61 61 LYS N N 61 120.552 120.552 119.516 1.036 17825 3214 1 10 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.117 -0.225 17825 3215 1 10 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.522 1.331 17825 3216 1 10 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.742 1.108 17825 3217 1 10 . 1 1 61 61 LYS H H 61 8.593 8.593 8.108 0.485 17825 3218 1 10 . 1 1 62 62 ARG N N 62 120.957 120.957 119.168 1.789 17825 3219 1 10 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.014 -0.304 17825 3220 1 10 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.815 0.435 17825 3221 1 10 . 1 1 62 62 ARG CB C 62 29.223 29.223 30.156 -0.933 17825 3222 1 10 . 1 1 62 62 ARG H H 62 9.265 9.265 7.861 1.404 17825 3223 1 10 . 1 1 63 63 GLU N N 63 117.661 117.661 119.120 -1.459 17825 3224 1 10 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.199 -0.046 17825 3225 1 10 . 1 1 63 63 GLU CA C 63 59.195 59.195 58.958 0.237 17825 3226 1 10 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.238 -0.337 17825 3227 1 10 . 1 1 63 63 GLU H H 63 7.562 7.562 7.661 -0.099 17825 3228 1 10 . 1 1 64 64 ILE N N 64 119.447 119.447 121.073 -1.626 17825 3229 1 10 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.864 -0.022 17825 3230 1 10 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.221 0.680 17825 3231 1 10 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.644 0.883 17825 3232 1 10 . 1 1 64 64 ILE H H 64 7.597 7.597 8.199 -0.602 17825 3233 1 10 . 1 1 65 65 TYR N N 65 122.673 122.673 121.394 1.279 17825 3234 1 10 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.064 0.058 17825 3235 1 10 . 1 1 65 65 TYR CA C 65 60.929 60.929 61.863 -0.934 17825 3236 1 10 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.180 0.695 17825 3237 1 10 . 1 1 65 65 TYR H H 65 8.989 8.989 8.512 0.477 17825 3238 1 10 . 1 1 66 66 ASP N N 66 121.011 121.011 118.471 2.540 17825 3239 1 10 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.184 0.164 17825 3240 1 10 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.896 -1.337 17825 3241 1 10 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.101 -1.510 17825 3242 1 10 . 1 1 66 66 ASP H H 66 9.331 9.331 7.827 1.504 17825 3243 1 10 . 1 1 67 67 ARG N N 67 117.684 117.684 118.130 -0.446 17825 3244 1 10 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.166 -0.081 17825 3245 1 10 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.710 -1.201 17825 3246 1 10 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.337 1.221 17825 3247 1 10 . 1 1 67 67 ARG H H 67 7.452 7.452 7.775 -0.323 17825 3248 1 10 . 1 1 68 68 TYR N N 68 115.660 115.660 120.426 -4.766 17825 3249 1 10 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.564 0.206 17825 3250 1 10 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.529 -1.098 17825 3251 1 10 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.053 1.578 17825 3252 1 10 . 1 1 68 68 TYR H H 68 8.712 8.712 8.601 0.111 17825 3253 1 10 . 1 1 69 69 GLY N N 69 109.947 109.947 108.880 1.067 17825 3254 1 10 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.042 -1.414 17825 3255 1 10 . 1 1 69 69 GLY H H 69 8.311 8.311 7.719 0.592 17825 3256 1 10 . 1 1 70 70 ARG N N 70 120.184 120.184 118.867 1.317 17825 3257 1 10 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.057 0.111 17825 3258 1 10 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.288 2.536 17825 3259 1 10 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.452 0.735 17825 3260 1 10 . 1 1 70 70 ARG H H 70 8.756 8.756 7.950 0.806 17825 3261 1 11 . 1 1 3 3 SER N N 3 115.996 115.996 119.877 -3.881 17825 3262 1 11 . 1 1 3 3 SER HA H 3 4.428 4.428 3.951 0.477 17825 3263 1 11 . 1 1 3 3 SER CA C 3 56.636 56.636 57.793 -1.157 17825 3264 1 11 . 1 1 3 3 SER CB C 3 64.556 64.556 62.351 2.205 17825 3265 1 11 . 1 1 3 3 SER H H 3 8.840 8.840 8.724 0.116 17825 3266 1 11 . 1 1 4 4 TYR N N 4 119.562 119.562 123.922 -4.360 17825 3267 1 11 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.120 0.350 17825 3268 1 11 . 1 1 4 4 TYR CA C 4 57.964 57.964 59.753 -1.789 17825 3269 1 11 . 1 1 4 4 TYR CB C 4 37.204 37.204 38.267 -1.063 17825 3270 1 11 . 1 1 4 4 TYR H H 4 8.255 8.255 7.319 0.936 17825 3271 1 11 . 1 1 5 5 TYR N N 5 114.704 114.704 115.741 -1.037 17825 3272 1 11 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.532 -0.590 17825 3273 1 11 . 1 1 5 5 TYR CA C 5 61.713 61.713 59.001 2.712 17825 3274 1 11 . 1 1 5 5 TYR CB C 5 36.983 36.983 37.236 -0.253 17825 3275 1 11 . 1 1 5 5 TYR H H 5 7.137 7.137 7.566 -0.429 17825 3276 1 11 . 1 1 6 6 GLU N N 6 119.884 119.884 118.747 1.137 17825 3277 1 11 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.093 0.167 17825 3278 1 11 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.524 -0.045 17825 3279 1 11 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.295 0.361 17825 3280 1 11 . 1 1 6 6 GLU H H 6 7.622 7.622 7.477 0.145 17825 3281 1 11 . 1 1 7 7 ILE N N 7 120.890 120.890 116.296 4.594 17825 3282 1 11 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.905 -0.165 17825 3283 1 11 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.942 -0.056 17825 3284 1 11 . 1 1 7 7 ILE CB C 7 38.026 38.026 37.962 0.064 17825 3285 1 11 . 1 1 7 7 ILE H H 7 8.174 8.174 8.243 -0.069 17825 3286 1 11 . 1 1 8 8 LEU N N 8 115.091 115.091 119.250 -4.159 17825 3287 1 11 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.419 -0.143 17825 3288 1 11 . 1 1 8 8 LEU CA C 8 54.662 54.662 57.267 -2.605 17825 3289 1 11 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.994 -2.128 17825 3290 1 11 . 1 1 8 8 LEU H H 8 7.039 7.039 8.052 -1.013 17825 3291 1 11 . 1 1 9 9 ASP N N 9 119.283 119.283 113.181 6.102 17825 3292 1 11 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.715 -0.407 17825 3293 1 11 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.529 -0.214 17825 3294 1 11 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.790 -3.284 17825 3295 1 11 . 1 1 9 9 ASP H H 9 7.997 7.997 7.981 0.016 17825 3296 1 11 . 1 1 10 10 VAL N N 10 111.344 111.344 116.125 -4.781 17825 3297 1 11 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.661 0.295 17825 3298 1 11 . 1 1 10 10 VAL CA C 10 56.786 56.786 57.950 -1.164 17825 3299 1 11 . 1 1 10 10 VAL CB C 10 33.666 33.666 32.660 1.006 17825 3300 1 11 . 1 1 10 10 VAL H H 10 8.115 8.115 7.864 0.251 17825 3301 1 11 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.792 -1.074 17825 3302 1 11 . 1 1 12 12 ARG N N 12 118.354 118.354 117.631 0.723 17825 3303 1 11 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.149 0.379 17825 3304 1 11 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.074 -0.428 17825 3305 1 11 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.820 -0.574 17825 3306 1 11 . 1 1 12 12 ARG H H 12 8.291 8.291 8.654 -0.363 17825 3307 1 11 . 1 1 13 13 SER N N 13 107.420 107.420 113.491 -6.071 17825 3308 1 11 . 1 1 13 13 SER HA H 13 4.285 4.285 4.387 -0.102 17825 3309 1 11 . 1 1 13 13 SER CA C 13 56.468 56.468 59.225 -2.757 17825 3310 1 11 . 1 1 13 13 SER CB C 13 62.713 62.713 63.086 -0.373 17825 3311 1 11 . 1 1 13 13 SER H H 13 7.181 7.181 7.875 -0.694 17825 3312 1 11 . 1 1 14 14 ALA N N 14 124.202 124.202 124.719 -0.517 17825 3313 1 11 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.347 -0.021 17825 3314 1 11 . 1 1 14 14 ALA CA C 14 52.570 52.570 52.032 0.538 17825 3315 1 11 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.967 0.345 17825 3316 1 11 . 1 1 14 14 ALA H H 14 7.631 7.631 7.196 0.435 17825 3317 1 11 . 1 1 15 15 SER N N 15 118.770 118.770 116.872 1.898 17825 3318 1 11 . 1 1 15 15 SER HA H 15 4.675 4.675 4.448 0.227 17825 3319 1 11 . 1 1 15 15 SER CA C 15 56.381 56.381 57.242 -0.861 17825 3320 1 11 . 1 1 15 15 SER CB C 15 65.323 65.323 64.068 1.255 17825 3321 1 11 . 1 1 15 15 SER H H 15 9.295 9.295 8.259 1.036 17825 3322 1 11 . 1 1 16 16 ALA N N 16 122.893 122.893 125.570 -2.677 17825 3323 1 11 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.171 -0.027 17825 3324 1 11 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.550 -0.257 17825 3325 1 11 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.436 -0.131 17825 3326 1 11 . 1 1 16 16 ALA H H 16 9.025 9.025 8.788 0.237 17825 3327 1 11 . 1 1 17 17 ASP N N 17 118.305 118.305 117.441 0.864 17825 3328 1 11 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.359 0.146 17825 3329 1 11 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.834 -0.665 17825 3330 1 11 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.200 0.522 17825 3331 1 11 . 1 1 17 17 ASP H H 17 8.403 8.403 8.800 -0.397 17825 3332 1 11 . 1 1 18 18 ASP N N 18 121.474 121.474 120.890 0.584 17825 3333 1 11 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.442 -0.033 17825 3334 1 11 . 1 1 18 18 ASP CA C 18 57.080 57.080 56.548 0.532 17825 3335 1 11 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.706 -0.507 17825 3336 1 11 . 1 1 18 18 ASP H H 18 8.062 8.062 7.646 0.416 17825 3337 1 11 . 1 1 19 19 ILE N N 19 122.227 122.227 121.146 1.081 17825 3338 1 11 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.605 0.048 17825 3339 1 11 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.840 0.349 17825 3340 1 11 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.150 -0.341 17825 3341 1 11 . 1 1 19 19 ILE H H 19 8.181 8.181 8.146 0.035 17825 3342 1 11 . 1 1 20 20 LYS N N 20 120.936 120.936 119.623 1.313 17825 3343 1 11 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.115 1.086 17825 3344 1 11 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.644 0.751 17825 3345 1 11 . 1 1 20 20 LYS CB C 20 32.439 32.439 31.933 0.506 17825 3346 1 11 . 1 1 20 20 LYS H H 20 8.035 8.035 8.321 -0.286 17825 3347 1 11 . 1 1 21 21 LYS N N 21 118.610 118.610 118.820 -0.210 17825 3348 1 11 . 1 1 21 21 LYS HA H 21 3.967 3.967 3.824 0.143 17825 3349 1 11 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.203 1.503 17825 3350 1 11 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.817 0.761 17825 3351 1 11 . 1 1 21 21 LYS H H 21 8.204 8.204 7.655 0.549 17825 3352 1 11 . 1 1 22 22 ALA N N 22 122.873 122.873 121.929 0.944 17825 3353 1 11 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.040 0.135 17825 3354 1 11 . 1 1 22 22 ALA CA C 22 54.795 54.795 54.963 -0.168 17825 3355 1 11 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.373 1.429 17825 3356 1 11 . 1 1 22 22 ALA H H 22 8.091 8.091 7.812 0.279 17825 3357 1 11 . 1 1 23 23 TYR N N 23 118.422 118.422 116.591 1.831 17825 3358 1 11 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.229 -0.280 17825 3359 1 11 . 1 1 23 23 TYR CA C 23 60.450 60.450 58.489 1.961 17825 3360 1 11 . 1 1 23 23 TYR CB C 23 38.541 38.541 36.896 1.645 17825 3361 1 11 . 1 1 23 23 TYR H H 23 8.527 8.527 7.803 0.724 17825 3362 1 11 . 1 1 24 24 ARG N N 24 117.379 117.379 120.877 -3.498 17825 3363 1 11 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.939 -0.477 17825 3364 1 11 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.956 -1.034 17825 3365 1 11 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.798 -0.252 17825 3366 1 11 . 1 1 24 24 ARG H H 24 7.878 7.878 7.530 0.348 17825 3367 1 11 . 1 1 25 25 ARG N N 25 117.097 117.097 118.420 -1.323 17825 3368 1 11 . 1 1 25 25 ARG HA H 25 4.046 4.046 4.015 0.031 17825 3369 1 11 . 1 1 25 25 ARG CA C 25 59.385 59.385 58.903 0.482 17825 3370 1 11 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.664 0.768 17825 3371 1 11 . 1 1 25 25 ARG H H 25 7.612 7.612 7.940 -0.328 17825 3372 1 11 . 1 1 26 26 LYS N N 26 120.499 120.499 120.330 0.169 17825 3373 1 11 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.108 0.099 17825 3374 1 11 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.268 -2.106 17825 3375 1 11 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.562 0.553 17825 3376 1 11 . 1 1 26 26 LYS H H 26 8.460 8.460 7.687 0.773 17825 3377 1 11 . 1 1 27 27 ALA N N 27 122.515 122.515 122.272 0.243 17825 3378 1 11 . 1 1 27 27 ALA HA H 27 3.965 3.965 3.155 0.810 17825 3379 1 11 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.381 0.261 17825 3380 1 11 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.282 -0.985 17825 3381 1 11 . 1 1 27 27 ALA H H 27 9.009 9.009 7.927 1.082 17825 3382 1 11 . 1 1 28 28 LEU N N 28 116.108 116.108 116.443 -0.335 17825 3383 1 11 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.947 0.193 17825 3384 1 11 . 1 1 28 28 LEU CA C 28 56.816 56.816 56.558 0.258 17825 3385 1 11 . 1 1 28 28 LEU CB C 28 41.855 41.855 40.948 0.907 17825 3386 1 11 . 1 1 28 28 LEU H H 28 7.149 7.149 7.529 -0.380 17825 3387 1 11 . 1 1 29 29 GLN N N 29 118.295 118.295 120.212 -1.917 17825 3388 1 11 . 1 1 29 29 GLN HA H 29 3.726 3.726 4.139 -0.413 17825 3389 1 11 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.233 -0.039 17825 3390 1 11 . 1 1 29 29 GLN CB C 29 28.132 28.132 29.014 -0.882 17825 3391 1 11 . 1 1 29 29 GLN H H 29 7.552 7.552 7.639 -0.087 17825 3392 1 11 . 1 1 30 30 TRP N N 30 114.410 114.410 115.422 -1.012 17825 3393 1 11 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.908 0.203 17825 3394 1 11 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.029 -0.716 17825 3395 1 11 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.606 0.433 17825 3396 1 11 . 1 1 30 30 TRP H H 30 7.713 7.713 7.177 0.536 17825 3397 1 11 . 1 1 31 31 HIS N N 31 121.533 121.533 123.247 -1.714 17825 3398 1 11 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.614 -0.648 17825 3399 1 11 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.219 0.393 17825 3400 1 11 . 1 1 31 31 HIS CB C 31 31.108 31.108 31.743 -0.635 17825 3401 1 11 . 1 1 31 31 HIS H H 31 7.299 7.299 7.189 0.110 17825 3402 1 11 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.424 -0.332 17825 3403 1 11 . 1 1 33 33 ASP N N 33 120.057 120.057 117.422 2.635 17825 3404 1 11 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.431 0.040 17825 3405 1 11 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.172 0.362 17825 3406 1 11 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.199 -0.368 17825 3407 1 11 . 1 1 33 33 ASP H H 33 10.765 10.765 7.947 2.818 17825 3408 1 11 . 1 1 34 34 LYS N N 34 116.570 116.570 118.873 -2.303 17825 3409 1 11 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.334 0.114 17825 3410 1 11 . 1 1 34 34 LYS CA C 34 54.078 54.078 56.793 -2.715 17825 3411 1 11 . 1 1 34 34 LYS CB C 34 32.455 32.455 33.563 -1.108 17825 3412 1 11 . 1 1 34 34 LYS H H 34 7.842 7.842 7.991 -0.149 17825 3413 1 11 . 1 1 35 35 ASN N N 35 118.970 118.970 118.284 0.686 17825 3414 1 11 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.192 0.099 17825 3415 1 11 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.053 1.968 17825 3416 1 11 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.929 2.268 17825 3417 1 11 . 1 1 35 35 ASN H H 35 7.588 7.588 8.141 -0.553 17825 3418 1 11 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.675 -0.324 17825 3419 1 11 . 1 1 37 37 ASP N N 37 116.874 116.874 118.109 -1.235 17825 3420 1 11 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.564 0.213 17825 3421 1 11 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.390 -0.353 17825 3422 1 11 . 1 1 37 37 ASP CB C 37 40.812 40.812 40.871 -0.059 17825 3423 1 11 . 1 1 37 37 ASP H H 37 8.521 8.521 8.575 -0.054 17825 3424 1 11 . 1 1 38 38 ASN N N 38 120.484 120.484 118.012 2.472 17825 3425 1 11 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.825 0.283 17825 3426 1 11 . 1 1 38 38 ASN CA C 38 51.780 51.780 52.989 -1.209 17825 3427 1 11 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.490 0.204 17825 3428 1 11 . 1 1 38 38 ASN H H 38 7.901 7.901 8.294 -0.393 17825 3429 1 11 . 1 1 39 39 LYS N N 39 121.973 121.973 125.088 -3.115 17825 3430 1 11 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.382 -0.363 17825 3431 1 11 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.197 3.526 17825 3432 1 11 . 1 1 39 39 LYS CB C 39 33.270 33.270 32.695 0.575 17825 3433 1 11 . 1 1 39 39 LYS H H 39 8.362 8.362 8.292 0.070 17825 3434 1 11 . 1 1 40 40 GLU N N 40 119.447 119.447 121.932 -2.485 17825 3435 1 11 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.011 0.094 17825 3436 1 11 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.362 0.450 17825 3437 1 11 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.143 -0.566 17825 3438 1 11 . 1 1 40 40 GLU H H 40 8.746 8.746 8.082 0.664 17825 3439 1 11 . 1 1 41 41 PHE N N 41 121.498 121.498 117.872 3.626 17825 3440 1 11 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.164 0.007 17825 3441 1 11 . 1 1 41 41 PHE CA C 41 60.572 60.572 62.101 -1.529 17825 3442 1 11 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.941 0.559 17825 3443 1 11 . 1 1 41 41 PHE H H 41 8.273 8.273 8.657 -0.384 17825 3444 1 11 . 1 1 42 42 ALA N N 42 120.231 120.231 121.948 -1.717 17825 3445 1 11 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.925 0.186 17825 3446 1 11 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.288 -0.212 17825 3447 1 11 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.416 -0.300 17825 3448 1 11 . 1 1 42 42 ALA H H 42 8.238 8.238 8.176 0.062 17825 3449 1 11 . 1 1 43 43 GLU N N 43 117.279 117.279 117.436 -0.157 17825 3450 1 11 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.800 0.242 17825 3451 1 11 . 1 1 43 43 GLU CA C 43 59.752 59.752 58.836 0.916 17825 3452 1 11 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.209 0.057 17825 3453 1 11 . 1 1 43 43 GLU H H 43 8.523 8.523 8.460 0.063 17825 3454 1 11 . 1 1 44 44 LYS N N 44 119.444 119.444 120.683 -1.239 17825 3455 1 11 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.022 -0.071 17825 3456 1 11 . 1 1 44 44 LYS CA C 44 59.450 59.450 58.619 0.831 17825 3457 1 11 . 1 1 44 44 LYS CB C 44 31.606 31.606 31.988 -0.381 17825 3458 1 11 . 1 1 44 44 LYS H H 44 7.356 7.356 7.533 -0.177 17825 3459 1 11 . 1 1 45 45 LYS N N 45 119.401 119.401 119.347 0.054 17825 3460 1 11 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.057 -0.457 17825 3461 1 11 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.238 -1.965 17825 3462 1 11 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.794 -2.412 17825 3463 1 11 . 1 1 45 45 LYS H H 45 7.584 7.584 8.186 -0.602 17825 3464 1 11 . 1 1 46 46 PHE N N 46 121.408 121.408 121.307 0.101 17825 3465 1 11 . 1 1 46 46 PHE HA H 46 3.931 3.931 3.932 -0.001 17825 3466 1 11 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.277 0.285 17825 3467 1 11 . 1 1 46 46 PHE CB C 46 39.016 39.016 38.515 0.501 17825 3468 1 11 . 1 1 46 46 PHE H H 46 9.323 9.323 7.479 1.844 17825 3469 1 11 . 1 1 47 47 LYS N N 47 119.512 119.512 119.489 0.023 17825 3470 1 11 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.714 0.199 17825 3471 1 11 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.769 -0.419 17825 3472 1 11 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.208 -0.323 17825 3473 1 11 . 1 1 47 47 LYS H H 47 8.147 8.147 8.178 -0.031 17825 3474 1 11 . 1 1 48 48 GLU N N 48 119.665 119.665 119.592 0.073 17825 3475 1 11 . 1 1 48 48 GLU HA H 48 4.098 4.098 3.974 0.124 17825 3476 1 11 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.338 -0.345 17825 3477 1 11 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.789 -0.201 17825 3478 1 11 . 1 1 48 48 GLU H H 48 7.540 7.540 8.040 -0.500 17825 3479 1 11 . 1 1 49 49 VAL N N 49 120.333 120.333 119.859 0.474 17825 3480 1 11 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.784 -0.318 17825 3481 1 11 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.493 0.127 17825 3482 1 11 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.839 -0.048 17825 3483 1 11 . 1 1 49 49 VAL H H 49 7.727 7.727 8.314 -0.587 17825 3484 1 11 . 1 1 50 50 ALA N N 50 122.082 122.082 121.841 0.241 17825 3485 1 11 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.873 0.068 17825 3486 1 11 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.385 -0.288 17825 3487 1 11 . 1 1 50 50 ALA CB C 50 17.874 17.874 17.811 0.063 17825 3488 1 11 . 1 1 50 50 ALA H H 50 8.070 8.070 7.842 0.228 17825 3489 1 11 . 1 1 51 51 GLU N N 51 119.977 119.977 117.927 2.050 17825 3490 1 11 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.941 -0.122 17825 3491 1 11 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.796 -0.105 17825 3492 1 11 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.361 0.005 17825 3493 1 11 . 1 1 51 51 GLU H H 51 7.888 7.888 7.855 0.033 17825 3494 1 11 . 1 1 52 52 ALA N N 52 119.318 119.318 122.031 -2.713 17825 3495 1 11 . 1 1 52 52 ALA HA H 52 4.339 4.339 3.960 0.379 17825 3496 1 11 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.570 -1.934 17825 3497 1 11 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.335 0.495 17825 3498 1 11 . 1 1 52 52 ALA H H 52 7.727 7.727 7.758 -0.031 17825 3499 1 11 . 1 1 53 53 TYR N N 53 116.011 116.011 119.505 -3.494 17825 3500 1 11 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.188 -0.490 17825 3501 1 11 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.309 0.136 17825 3502 1 11 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.440 0.954 17825 3503 1 11 . 1 1 53 53 TYR H H 53 8.245 8.245 8.648 -0.403 17825 3504 1 11 . 1 1 54 54 GLU N N 54 122.173 122.173 119.657 2.516 17825 3505 1 11 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.252 0.091 17825 3506 1 11 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.880 0.168 17825 3507 1 11 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.975 -0.022 17825 3508 1 11 . 1 1 54 54 GLU H H 54 8.125 8.125 7.585 0.540 17825 3509 1 11 . 1 1 55 55 VAL N N 55 115.105 115.105 119.100 -3.995 17825 3510 1 11 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.570 -0.142 17825 3511 1 11 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.405 -0.178 17825 3512 1 11 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.714 0.062 17825 3513 1 11 . 1 1 55 55 VAL H H 55 6.790 6.790 7.433 -0.643 17825 3514 1 11 . 1 1 56 56 LEU N N 56 111.133 111.133 117.166 -6.033 17825 3515 1 11 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.873 -0.183 17825 3516 1 11 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.932 -0.673 17825 3517 1 11 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.332 0.330 17825 3518 1 11 . 1 1 56 56 LEU H H 56 7.737 7.737 7.566 0.171 17825 3519 1 11 . 1 1 57 57 SER N N 57 109.014 109.014 112.333 -3.319 17825 3520 1 11 . 1 1 57 57 SER HA H 57 3.960 3.960 4.514 -0.554 17825 3521 1 11 . 1 1 57 57 SER CA C 57 58.594 58.594 59.951 -1.357 17825 3522 1 11 . 1 1 57 57 SER CB C 57 63.191 63.191 64.231 -1.040 17825 3523 1 11 . 1 1 57 57 SER H H 57 7.808 7.808 7.743 0.065 17825 3524 1 11 . 1 1 58 58 ASP N N 58 125.471 125.471 120.702 4.769 17825 3525 1 11 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.809 -0.006 17825 3526 1 11 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.358 -1.231 17825 3527 1 11 . 1 1 58 58 ASP CB C 58 43.474 43.474 43.023 0.451 17825 3528 1 11 . 1 1 58 58 ASP H H 58 7.029 7.029 7.308 -0.279 17825 3529 1 11 . 1 1 59 59 LYS N N 59 125.812 125.812 125.773 0.039 17825 3530 1 11 . 1 1 59 59 LYS HA H 59 3.864 3.864 4.055 -0.191 17825 3531 1 11 . 1 1 59 59 LYS CA C 59 59.798 59.798 58.521 1.277 17825 3532 1 11 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.210 0.030 17825 3533 1 11 . 1 1 59 59 LYS H H 59 8.731 8.731 8.859 -0.128 17825 3534 1 11 . 1 1 60 60 HIS N N 60 116.930 116.930 118.303 -1.373 17825 3535 1 11 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.334 0.249 17825 3536 1 11 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.810 -1.359 17825 3537 1 11 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.552 -0.379 17825 3538 1 11 . 1 1 60 60 HIS H H 60 8.066 8.066 8.362 -0.296 17825 3539 1 11 . 1 1 61 61 LYS N N 61 120.552 120.552 119.939 0.613 17825 3540 1 11 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.149 -0.257 17825 3541 1 11 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.737 1.116 17825 3542 1 11 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.832 1.018 17825 3543 1 11 . 1 1 61 61 LYS H H 61 8.593 8.593 7.733 0.860 17825 3544 1 11 . 1 1 62 62 ARG N N 62 120.957 120.957 119.716 1.241 17825 3545 1 11 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.069 -0.359 17825 3546 1 11 . 1 1 62 62 ARG CA C 62 60.250 60.250 58.793 1.457 17825 3547 1 11 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.625 -0.402 17825 3548 1 11 . 1 1 62 62 ARG H H 62 9.265 9.265 8.467 0.798 17825 3549 1 11 . 1 1 63 63 GLU N N 63 117.661 117.661 119.812 -2.151 17825 3550 1 11 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.153 -0.000 17825 3551 1 11 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.096 0.099 17825 3552 1 11 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.238 -0.337 17825 3553 1 11 . 1 1 63 63 GLU H H 63 7.562 7.562 7.704 -0.142 17825 3554 1 11 . 1 1 64 64 ILE N N 64 119.447 119.447 120.594 -1.147 17825 3555 1 11 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.818 0.024 17825 3556 1 11 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.886 0.015 17825 3557 1 11 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.909 0.618 17825 3558 1 11 . 1 1 64 64 ILE H H 64 7.597 7.597 7.837 -0.240 17825 3559 1 11 . 1 1 65 65 TYR N N 65 122.673 122.673 120.692 1.981 17825 3560 1 11 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.071 0.051 17825 3561 1 11 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.005 -1.076 17825 3562 1 11 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.488 0.387 17825 3563 1 11 . 1 1 65 65 TYR H H 65 8.989 8.989 8.752 0.237 17825 3564 1 11 . 1 1 66 66 ASP N N 66 121.011 121.011 118.464 2.547 17825 3565 1 11 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.312 0.036 17825 3566 1 11 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.529 -0.970 17825 3567 1 11 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.248 -1.657 17825 3568 1 11 . 1 1 66 66 ASP H H 66 9.331 9.331 7.955 1.376 17825 3569 1 11 . 1 1 67 67 ARG N N 67 117.684 117.684 118.026 -0.342 17825 3570 1 11 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.152 -0.067 17825 3571 1 11 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.877 -1.367 17825 3572 1 11 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.344 1.214 17825 3573 1 11 . 1 1 67 67 ARG H H 67 7.452 7.452 8.363 -0.911 17825 3574 1 11 . 1 1 68 68 TYR N N 68 115.660 115.660 120.024 -4.364 17825 3575 1 11 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.540 0.230 17825 3576 1 11 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.859 -1.428 17825 3577 1 11 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.096 1.534 17825 3578 1 11 . 1 1 68 68 TYR H H 68 8.712 8.712 8.355 0.357 17825 3579 1 11 . 1 1 69 69 GLY N N 69 109.947 109.947 108.670 1.277 17825 3580 1 11 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.194 -1.566 17825 3581 1 11 . 1 1 69 69 GLY H H 69 8.311 8.311 7.791 0.520 17825 3582 1 11 . 1 1 70 70 ARG N N 70 120.184 120.184 119.432 0.752 17825 3583 1 11 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.143 0.025 17825 3584 1 11 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.096 2.728 17825 3585 1 11 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.844 0.343 17825 3586 1 11 . 1 1 70 70 ARG H H 70 8.756 8.756 7.810 0.946 17825 3587 1 12 . 1 1 3 3 SER N N 3 115.996 115.996 110.047 5.949 17825 3588 1 12 . 1 1 3 3 SER HA H 3 4.428 4.428 3.500 0.928 17825 3589 1 12 . 1 1 3 3 SER CA C 3 56.636 56.636 59.525 -2.889 17825 3590 1 12 . 1 1 3 3 SER CB C 3 64.556 64.556 61.640 2.916 17825 3591 1 12 . 1 1 3 3 SER H H 3 8.840 8.840 8.570 0.270 17825 3592 1 12 . 1 1 4 4 TYR N N 4 119.562 119.562 118.575 0.987 17825 3593 1 12 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.157 0.313 17825 3594 1 12 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.401 -2.437 17825 3595 1 12 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.571 -0.367 17825 3596 1 12 . 1 1 4 4 TYR H H 4 8.255 8.255 7.681 0.574 17825 3597 1 12 . 1 1 5 5 TYR N N 5 114.704 114.704 115.094 -0.390 17825 3598 1 12 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.567 -0.625 17825 3599 1 12 . 1 1 5 5 TYR CA C 5 61.713 61.713 58.427 3.286 17825 3600 1 12 . 1 1 5 5 TYR CB C 5 36.983 36.983 37.139 -0.156 17825 3601 1 12 . 1 1 5 5 TYR H H 5 7.137 7.137 8.377 -1.240 17825 3602 1 12 . 1 1 6 6 GLU N N 6 119.884 119.884 118.153 1.731 17825 3603 1 12 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.109 0.151 17825 3604 1 12 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.059 0.420 17825 3605 1 12 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.638 0.018 17825 3606 1 12 . 1 1 6 6 GLU H H 6 7.622 7.622 6.917 0.705 17825 3607 1 12 . 1 1 7 7 ILE N N 7 120.890 120.890 115.454 5.436 17825 3608 1 12 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.983 -0.243 17825 3609 1 12 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.437 0.449 17825 3610 1 12 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.207 -0.181 17825 3611 1 12 . 1 1 7 7 ILE H H 7 8.174 8.174 7.495 0.679 17825 3612 1 12 . 1 1 8 8 LEU N N 8 115.091 115.091 119.943 -4.852 17825 3613 1 12 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.444 -0.168 17825 3614 1 12 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.666 -2.004 17825 3615 1 12 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.072 -2.207 17825 3616 1 12 . 1 1 8 8 LEU H H 8 7.039 7.039 8.107 -1.068 17825 3617 1 12 . 1 1 9 9 ASP N N 9 119.283 119.283 114.211 5.072 17825 3618 1 12 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.751 -0.443 17825 3619 1 12 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.605 -0.290 17825 3620 1 12 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.436 -2.930 17825 3621 1 12 . 1 1 9 9 ASP H H 9 7.997 7.997 8.353 -0.356 17825 3622 1 12 . 1 1 10 10 VAL N N 10 111.344 111.344 116.202 -4.858 17825 3623 1 12 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.706 0.250 17825 3624 1 12 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.204 -1.418 17825 3625 1 12 . 1 1 10 10 VAL CB C 10 33.666 33.666 32.800 0.866 17825 3626 1 12 . 1 1 10 10 VAL H H 10 8.115 8.115 7.884 0.231 17825 3627 1 12 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.927 -1.209 17825 3628 1 12 . 1 1 12 12 ARG N N 12 118.354 118.354 117.888 0.466 17825 3629 1 12 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.126 0.402 17825 3630 1 12 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.622 -0.976 17825 3631 1 12 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.825 -0.579 17825 3632 1 12 . 1 1 12 12 ARG H H 12 8.291 8.291 8.785 -0.494 17825 3633 1 12 . 1 1 13 13 SER N N 13 107.420 107.420 113.881 -6.461 17825 3634 1 12 . 1 1 13 13 SER HA H 13 4.285 4.285 4.381 -0.096 17825 3635 1 12 . 1 1 13 13 SER CA C 13 56.468 56.468 58.093 -1.625 17825 3636 1 12 . 1 1 13 13 SER CB C 13 62.713 62.713 62.661 0.052 17825 3637 1 12 . 1 1 13 13 SER H H 13 7.181 7.181 8.018 -0.837 17825 3638 1 12 . 1 1 14 14 ALA N N 14 124.202 124.202 124.956 -0.754 17825 3639 1 12 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.383 -0.057 17825 3640 1 12 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.803 0.767 17825 3641 1 12 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.974 0.339 17825 3642 1 12 . 1 1 14 14 ALA H H 14 7.631 7.631 7.226 0.405 17825 3643 1 12 . 1 1 15 15 SER N N 15 118.770 118.770 117.077 1.693 17825 3644 1 12 . 1 1 15 15 SER HA H 15 4.675 4.675 4.405 0.270 17825 3645 1 12 . 1 1 15 15 SER CA C 15 56.381 56.381 56.998 -0.617 17825 3646 1 12 . 1 1 15 15 SER CB C 15 65.323 65.323 64.689 0.634 17825 3647 1 12 . 1 1 15 15 SER H H 15 9.295 9.295 8.205 1.090 17825 3648 1 12 . 1 1 16 16 ALA N N 16 122.893 122.893 125.907 -3.014 17825 3649 1 12 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.078 0.066 17825 3650 1 12 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.363 -0.070 17825 3651 1 12 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.782 -0.477 17825 3652 1 12 . 1 1 16 16 ALA H H 16 9.025 9.025 8.806 0.219 17825 3653 1 12 . 1 1 17 17 ASP N N 17 118.305 118.305 116.452 1.853 17825 3654 1 12 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.344 0.161 17825 3655 1 12 . 1 1 17 17 ASP CA C 17 57.169 57.169 56.960 0.209 17825 3656 1 12 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.067 0.655 17825 3657 1 12 . 1 1 17 17 ASP H H 17 8.403 8.403 8.226 0.177 17825 3658 1 12 . 1 1 18 18 ASP N N 18 121.474 121.474 121.466 0.008 17825 3659 1 12 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.443 -0.034 17825 3660 1 12 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.125 -0.045 17825 3661 1 12 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.673 -0.474 17825 3662 1 12 . 1 1 18 18 ASP H H 18 8.062 8.062 7.753 0.309 17825 3663 1 12 . 1 1 19 19 ILE N N 19 122.227 122.227 120.993 1.234 17825 3664 1 12 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.751 -0.098 17825 3665 1 12 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.923 0.266 17825 3666 1 12 . 1 1 19 19 ILE CB C 19 37.809 37.809 37.943 -0.134 17825 3667 1 12 . 1 1 19 19 ILE H H 19 8.181 8.181 7.829 0.352 17825 3668 1 12 . 1 1 20 20 LYS N N 20 120.936 120.936 119.906 1.030 17825 3669 1 12 . 1 1 20 20 LYS HA H 20 4.201 4.201 4.097 0.104 17825 3670 1 12 . 1 1 20 20 LYS CA C 20 60.395 60.395 60.373 0.022 17825 3671 1 12 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.212 0.227 17825 3672 1 12 . 1 1 20 20 LYS H H 20 8.035 8.035 8.255 -0.220 17825 3673 1 12 . 1 1 21 21 LYS N N 21 118.610 118.610 119.658 -1.048 17825 3674 1 12 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.076 -0.109 17825 3675 1 12 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.653 1.053 17825 3676 1 12 . 1 1 21 21 LYS CB C 21 32.578 32.578 32.030 0.548 17825 3677 1 12 . 1 1 21 21 LYS H H 21 8.204 8.204 7.967 0.237 17825 3678 1 12 . 1 1 22 22 ALA N N 22 122.873 122.873 122.990 -0.117 17825 3679 1 12 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.116 0.059 17825 3680 1 12 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.103 -0.308 17825 3681 1 12 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.357 1.445 17825 3682 1 12 . 1 1 22 22 ALA H H 22 8.091 8.091 8.228 -0.137 17825 3683 1 12 . 1 1 23 23 TYR N N 23 118.422 118.422 120.004 -1.582 17825 3684 1 12 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.063 -0.114 17825 3685 1 12 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.145 -0.695 17825 3686 1 12 . 1 1 23 23 TYR CB C 23 38.541 38.541 38.056 0.485 17825 3687 1 12 . 1 1 23 23 TYR H H 23 8.527 8.527 8.770 -0.243 17825 3688 1 12 . 1 1 24 24 ARG N N 24 117.379 117.379 119.195 -1.816 17825 3689 1 12 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.311 0.151 17825 3690 1 12 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.495 -0.573 17825 3691 1 12 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.994 -0.448 17825 3692 1 12 . 1 1 24 24 ARG H H 24 7.878 7.878 8.013 -0.135 17825 3693 1 12 . 1 1 25 25 ARG N N 25 117.097 117.097 119.294 -2.197 17825 3694 1 12 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.976 0.070 17825 3695 1 12 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.294 0.091 17825 3696 1 12 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.627 0.805 17825 3697 1 12 . 1 1 25 25 ARG H H 25 7.612 7.612 8.535 -0.923 17825 3698 1 12 . 1 1 26 26 LYS N N 26 120.499 120.499 120.680 -0.181 17825 3699 1 12 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.333 -0.126 17825 3700 1 12 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.409 -2.247 17825 3701 1 12 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.646 0.469 17825 3702 1 12 . 1 1 26 26 LYS H H 26 8.460 8.460 7.927 0.533 17825 3703 1 12 . 1 1 27 27 ALA N N 27 122.515 122.515 122.666 -0.151 17825 3704 1 12 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.370 -0.405 17825 3705 1 12 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.951 -0.309 17825 3706 1 12 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.657 -1.360 17825 3707 1 12 . 1 1 27 27 ALA H H 27 9.009 9.009 7.906 1.103 17825 3708 1 12 . 1 1 28 28 LEU N N 28 116.108 116.108 117.823 -1.715 17825 3709 1 12 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.143 -0.003 17825 3710 1 12 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.805 -0.989 17825 3711 1 12 . 1 1 28 28 LEU CB C 28 41.855 41.855 42.152 -0.297 17825 3712 1 12 . 1 1 28 28 LEU H H 28 7.149 7.149 8.227 -1.079 17825 3713 1 12 . 1 1 29 29 GLN N N 29 118.295 118.295 118.401 -0.106 17825 3714 1 12 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.917 -0.191 17825 3715 1 12 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.825 -0.631 17825 3716 1 12 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.896 -0.764 17825 3717 1 12 . 1 1 29 29 GLN H H 29 7.552 7.552 8.004 -0.452 17825 3718 1 12 . 1 1 30 30 TRP N N 30 114.410 114.410 115.084 -0.674 17825 3719 1 12 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.806 0.305 17825 3720 1 12 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.713 -1.400 17825 3721 1 12 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.645 0.394 17825 3722 1 12 . 1 1 30 30 TRP H H 30 7.713 7.713 7.485 0.228 17825 3723 1 12 . 1 1 31 31 HIS N N 31 121.533 121.533 120.586 0.947 17825 3724 1 12 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.585 -0.619 17825 3725 1 12 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.852 -0.240 17825 3726 1 12 . 1 1 31 31 HIS CB C 31 31.108 31.108 32.151 -1.044 17825 3727 1 12 . 1 1 31 31 HIS H H 31 7.299 7.299 7.501 -0.202 17825 3728 1 12 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.572 -0.480 17825 3729 1 12 . 1 1 33 33 ASP N N 33 120.057 120.057 118.687 1.370 17825 3730 1 12 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.578 -0.107 17825 3731 1 12 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.292 0.242 17825 3732 1 12 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.907 -1.076 17825 3733 1 12 . 1 1 33 33 ASP H H 33 10.765 10.765 8.372 2.393 17825 3734 1 12 . 1 1 34 34 LYS N N 34 116.570 116.570 117.117 -0.547 17825 3735 1 12 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.614 -0.166 17825 3736 1 12 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.744 -0.666 17825 3737 1 12 . 1 1 34 34 LYS CB C 34 32.455 32.455 33.133 -0.678 17825 3738 1 12 . 1 1 34 34 LYS H H 34 7.842 7.842 8.205 -0.363 17825 3739 1 12 . 1 1 35 35 ASN N N 35 118.970 118.970 117.961 1.009 17825 3740 1 12 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.941 0.350 17825 3741 1 12 . 1 1 35 35 ASN CA C 35 52.021 52.021 51.095 0.926 17825 3742 1 12 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.104 3.093 17825 3743 1 12 . 1 1 35 35 ASN H H 35 7.588 7.588 7.594 -0.006 17825 3744 1 12 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.472 -0.121 17825 3745 1 12 . 1 1 37 37 ASP N N 37 116.874 116.874 116.099 0.775 17825 3746 1 12 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.646 0.131 17825 3747 1 12 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.644 -0.607 17825 3748 1 12 . 1 1 37 37 ASP CB C 37 40.812 40.812 40.778 0.035 17825 3749 1 12 . 1 1 37 37 ASP H H 37 8.521 8.521 8.461 0.060 17825 3750 1 12 . 1 1 38 38 ASN N N 38 120.484 120.484 116.343 4.141 17825 3751 1 12 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.993 0.115 17825 3752 1 12 . 1 1 38 38 ASN CA C 38 51.780 51.780 52.618 -0.838 17825 3753 1 12 . 1 1 38 38 ASN CB C 38 38.694 38.694 39.356 -0.662 17825 3754 1 12 . 1 1 38 38 ASN H H 38 7.901 7.901 8.113 -0.212 17825 3755 1 12 . 1 1 39 39 LYS N N 39 121.973 121.973 122.638 -0.665 17825 3756 1 12 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.693 -0.674 17825 3757 1 12 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.575 3.148 17825 3758 1 12 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.275 -0.005 17825 3759 1 12 . 1 1 39 39 LYS H H 39 8.362 8.362 8.734 -0.372 17825 3760 1 12 . 1 1 40 40 GLU N N 40 119.447 119.447 122.026 -2.579 17825 3761 1 12 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.116 -0.011 17825 3762 1 12 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.365 0.446 17825 3763 1 12 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.145 -0.569 17825 3764 1 12 . 1 1 40 40 GLU H H 40 8.746 8.746 8.739 0.007 17825 3765 1 12 . 1 1 41 41 PHE N N 41 121.498 121.498 117.986 3.512 17825 3766 1 12 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.213 -0.042 17825 3767 1 12 . 1 1 41 41 PHE CA C 41 60.572 60.572 61.443 -0.871 17825 3768 1 12 . 1 1 41 41 PHE CB C 41 39.500 39.500 37.710 1.790 17825 3769 1 12 . 1 1 41 41 PHE H H 41 8.273 8.273 8.350 -0.077 17825 3770 1 12 . 1 1 42 42 ALA N N 42 120.231 120.231 122.275 -2.044 17825 3771 1 12 . 1 1 42 42 ALA HA H 42 4.111 4.111 4.180 -0.069 17825 3772 1 12 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.671 -0.595 17825 3773 1 12 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.299 -0.183 17825 3774 1 12 . 1 1 42 42 ALA H H 42 8.238 8.238 8.534 -0.296 17825 3775 1 12 . 1 1 43 43 GLU N N 43 117.279 117.279 117.767 -0.488 17825 3776 1 12 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.069 -0.027 17825 3777 1 12 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.065 0.687 17825 3778 1 12 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.059 0.207 17825 3779 1 12 . 1 1 43 43 GLU H H 43 8.523 8.523 8.513 0.010 17825 3780 1 12 . 1 1 44 44 LYS N N 44 119.444 119.444 120.620 -1.176 17825 3781 1 12 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.040 -0.089 17825 3782 1 12 . 1 1 44 44 LYS CA C 44 59.450 59.450 58.913 0.537 17825 3783 1 12 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.007 -0.401 17825 3784 1 12 . 1 1 44 44 LYS H H 44 7.356 7.356 7.771 -0.415 17825 3785 1 12 . 1 1 45 45 LYS N N 45 119.401 119.401 119.289 0.112 17825 3786 1 12 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.161 -0.561 17825 3787 1 12 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.187 -1.914 17825 3788 1 12 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.378 -1.996 17825 3789 1 12 . 1 1 45 45 LYS H H 45 7.584 7.584 8.018 -0.434 17825 3790 1 12 . 1 1 46 46 PHE N N 46 121.408 121.408 121.907 -0.499 17825 3791 1 12 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.246 -0.315 17825 3792 1 12 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.629 -0.067 17825 3793 1 12 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.060 -0.044 17825 3794 1 12 . 1 1 46 46 PHE H H 46 9.323 9.323 8.125 1.198 17825 3795 1 12 . 1 1 47 47 LYS N N 47 119.512 119.512 119.493 0.019 17825 3796 1 12 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.885 0.028 17825 3797 1 12 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.842 -0.492 17825 3798 1 12 . 1 1 47 47 LYS CB C 47 31.885 31.885 31.936 -0.051 17825 3799 1 12 . 1 1 47 47 LYS H H 47 8.147 8.147 8.447 -0.300 17825 3800 1 12 . 1 1 48 48 GLU N N 48 119.665 119.665 119.566 0.099 17825 3801 1 12 . 1 1 48 48 GLU HA H 48 4.098 4.098 3.986 0.112 17825 3802 1 12 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.362 -0.369 17825 3803 1 12 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.593 -0.006 17825 3804 1 12 . 1 1 48 48 GLU H H 48 7.540 7.540 8.075 -0.535 17825 3805 1 12 . 1 1 49 49 VAL N N 49 120.333 120.333 120.105 0.228 17825 3806 1 12 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.786 -0.320 17825 3807 1 12 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.684 -0.064 17825 3808 1 12 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.786 0.005 17825 3809 1 12 . 1 1 49 49 VAL H H 49 7.727 7.727 7.656 0.071 17825 3810 1 12 . 1 1 50 50 ALA N N 50 122.082 122.082 122.521 -0.439 17825 3811 1 12 . 1 1 50 50 ALA HA H 50 3.941 3.941 4.036 -0.095 17825 3812 1 12 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.624 -0.527 17825 3813 1 12 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.242 -0.368 17825 3814 1 12 . 1 1 50 50 ALA H H 50 8.070 8.070 7.995 0.075 17825 3815 1 12 . 1 1 51 51 GLU N N 51 119.977 119.977 118.270 1.707 17825 3816 1 12 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.975 -0.156 17825 3817 1 12 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.782 -0.091 17825 3818 1 12 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.456 -0.090 17825 3819 1 12 . 1 1 51 51 GLU H H 51 7.888 7.888 7.903 -0.015 17825 3820 1 12 . 1 1 52 52 ALA N N 52 119.318 119.318 122.179 -2.861 17825 3821 1 12 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.038 0.301 17825 3822 1 12 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.745 -2.109 17825 3823 1 12 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.387 0.443 17825 3824 1 12 . 1 1 52 52 ALA H H 52 7.727 7.727 8.444 -0.717 17825 3825 1 12 . 1 1 53 53 TYR N N 53 116.011 116.011 119.110 -3.099 17825 3826 1 12 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.061 -0.363 17825 3827 1 12 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.900 -0.455 17825 3828 1 12 . 1 1 53 53 TYR CB C 53 39.394 39.394 37.791 1.603 17825 3829 1 12 . 1 1 53 53 TYR H H 53 8.245 8.245 8.618 -0.373 17825 3830 1 12 . 1 1 54 54 GLU N N 54 122.173 122.173 119.949 2.224 17825 3831 1 12 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.196 0.147 17825 3832 1 12 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.581 0.467 17825 3833 1 12 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.659 0.294 17825 3834 1 12 . 1 1 54 54 GLU H H 54 8.125 8.125 7.524 0.601 17825 3835 1 12 . 1 1 55 55 VAL N N 55 115.105 115.105 118.960 -3.855 17825 3836 1 12 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.694 -0.266 17825 3837 1 12 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.090 0.137 17825 3838 1 12 . 1 1 55 55 VAL CB C 55 31.776 31.776 32.020 -0.244 17825 3839 1 12 . 1 1 55 55 VAL H H 55 6.790 6.790 7.423 -0.633 17825 3840 1 12 . 1 1 56 56 LEU N N 56 111.133 111.133 118.688 -7.555 17825 3841 1 12 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.867 -0.177 17825 3842 1 12 . 1 1 56 56 LEU CA C 56 56.259 56.259 57.328 -1.069 17825 3843 1 12 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.525 0.137 17825 3844 1 12 . 1 1 56 56 LEU H H 56 7.737 7.737 8.249 -0.512 17825 3845 1 12 . 1 1 57 57 SER N N 57 109.014 109.014 112.307 -3.293 17825 3846 1 12 . 1 1 57 57 SER HA H 57 3.960 3.960 4.301 -0.341 17825 3847 1 12 . 1 1 57 57 SER CA C 57 58.594 58.594 60.984 -2.390 17825 3848 1 12 . 1 1 57 57 SER CB C 57 63.191 63.191 63.480 -0.289 17825 3849 1 12 . 1 1 57 57 SER H H 57 7.808 7.808 7.814 -0.006 17825 3850 1 12 . 1 1 58 58 ASP N N 58 125.471 125.471 120.357 5.114 17825 3851 1 12 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.796 0.007 17825 3852 1 12 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.829 -0.702 17825 3853 1 12 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.726 0.748 17825 3854 1 12 . 1 1 58 58 ASP H H 58 7.029 7.029 7.348 -0.319 17825 3855 1 12 . 1 1 59 59 LYS N N 59 125.812 125.812 126.284 -0.472 17825 3856 1 12 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.911 -0.047 17825 3857 1 12 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.567 0.231 17825 3858 1 12 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.018 0.222 17825 3859 1 12 . 1 1 59 59 LYS H H 59 8.731 8.731 8.783 -0.052 17825 3860 1 12 . 1 1 60 60 HIS N N 60 116.930 116.930 117.448 -0.518 17825 3861 1 12 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.342 0.241 17825 3862 1 12 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.907 -1.456 17825 3863 1 12 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.545 -0.372 17825 3864 1 12 . 1 1 60 60 HIS H H 60 8.066 8.066 7.821 0.245 17825 3865 1 12 . 1 1 61 61 LYS N N 61 120.552 120.552 120.406 0.146 17825 3866 1 12 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.076 -0.184 17825 3867 1 12 . 1 1 61 61 LYS CA C 61 59.853 59.853 59.427 0.426 17825 3868 1 12 . 1 1 61 61 LYS CB C 61 32.850 32.850 32.565 0.285 17825 3869 1 12 . 1 1 61 61 LYS H H 61 8.593 8.593 8.893 -0.300 17825 3870 1 12 . 1 1 62 62 ARG N N 62 120.957 120.957 117.883 3.074 17825 3871 1 12 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.060 -0.350 17825 3872 1 12 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.248 1.002 17825 3873 1 12 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.701 -0.478 17825 3874 1 12 . 1 1 62 62 ARG H H 62 9.265 9.265 8.200 1.065 17825 3875 1 12 . 1 1 63 63 GLU N N 63 117.661 117.661 119.730 -2.069 17825 3876 1 12 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.190 -0.037 17825 3877 1 12 . 1 1 63 63 GLU CA C 63 59.195 59.195 58.879 0.316 17825 3878 1 12 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.256 -0.355 17825 3879 1 12 . 1 1 63 63 GLU H H 63 7.562 7.562 7.807 -0.245 17825 3880 1 12 . 1 1 64 64 ILE N N 64 119.447 119.447 121.550 -2.103 17825 3881 1 12 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.847 -0.005 17825 3882 1 12 . 1 1 64 64 ILE CA C 64 63.901 63.901 64.015 -0.114 17825 3883 1 12 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.672 -0.145 17825 3884 1 12 . 1 1 64 64 ILE H H 64 7.597 7.597 8.094 -0.497 17825 3885 1 12 . 1 1 65 65 TYR N N 65 122.673 122.673 120.735 1.938 17825 3886 1 12 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.067 0.055 17825 3887 1 12 . 1 1 65 65 TYR CA C 65 60.929 60.929 61.915 -0.986 17825 3888 1 12 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.377 0.498 17825 3889 1 12 . 1 1 65 65 TYR H H 65 8.989 8.989 8.631 0.358 17825 3890 1 12 . 1 1 66 66 ASP N N 66 121.011 121.011 118.708 2.303 17825 3891 1 12 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.344 0.004 17825 3892 1 12 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.304 -0.745 17825 3893 1 12 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.233 -1.641 17825 3894 1 12 . 1 1 66 66 ASP H H 66 9.331 9.331 7.909 1.422 17825 3895 1 12 . 1 1 67 67 ARG N N 67 117.684 117.684 117.786 -0.102 17825 3896 1 12 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.288 -0.203 17825 3897 1 12 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.226 -0.717 17825 3898 1 12 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.606 0.952 17825 3899 1 12 . 1 1 67 67 ARG H H 67 7.452 7.452 8.434 -0.982 17825 3900 1 12 . 1 1 68 68 TYR N N 68 115.660 115.660 120.632 -4.972 17825 3901 1 12 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.588 0.182 17825 3902 1 12 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.697 -1.266 17825 3903 1 12 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.545 1.086 17825 3904 1 12 . 1 1 68 68 TYR H H 68 8.712 8.712 8.301 0.411 17825 3905 1 12 . 1 1 69 69 GLY N N 69 109.947 109.947 108.793 1.154 17825 3906 1 12 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.367 -1.738 17825 3907 1 12 . 1 1 69 69 GLY H H 69 8.311 8.311 8.068 0.243 17825 3908 1 12 . 1 1 70 70 ARG N N 70 120.184 120.184 119.564 0.620 17825 3909 1 12 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.080 0.088 17825 3910 1 12 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.358 2.466 17825 3911 1 12 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.736 0.451 17825 3912 1 12 . 1 1 70 70 ARG H H 70 8.756 8.756 8.196 0.560 17825 3913 1 13 . 1 1 3 3 SER N N 3 115.996 115.996 118.704 -2.708 17825 3914 1 13 . 1 1 3 3 SER HA H 3 4.428 4.428 4.196 0.232 17825 3915 1 13 . 1 1 3 3 SER CA C 3 56.636 56.636 60.272 -3.636 17825 3916 1 13 . 1 1 3 3 SER CB C 3 64.556 64.556 63.396 1.160 17825 3917 1 13 . 1 1 3 3 SER H H 3 8.840 8.840 8.794 0.046 17825 3918 1 13 . 1 1 4 4 TYR N N 4 119.562 119.562 120.806 -1.244 17825 3919 1 13 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.275 0.195 17825 3920 1 13 . 1 1 4 4 TYR CA C 4 57.964 57.964 59.613 -1.649 17825 3921 1 13 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.107 0.097 17825 3922 1 13 . 1 1 4 4 TYR H H 4 8.255 8.255 7.859 0.396 17825 3923 1 13 . 1 1 5 5 TYR N N 5 114.704 114.704 120.146 -5.442 17825 3924 1 13 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.123 -0.181 17825 3925 1 13 . 1 1 5 5 TYR CA C 5 61.713 61.713 61.888 -0.175 17825 3926 1 13 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.682 -1.699 17825 3927 1 13 . 1 1 5 5 TYR H H 5 7.137 7.137 8.385 -1.248 17825 3928 1 13 . 1 1 6 6 GLU N N 6 119.884 119.884 117.128 2.756 17825 3929 1 13 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.041 0.219 17825 3930 1 13 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.608 -0.129 17825 3931 1 13 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.525 0.131 17825 3932 1 13 . 1 1 6 6 GLU H H 6 7.622 7.622 7.660 -0.038 17825 3933 1 13 . 1 1 7 7 ILE N N 7 120.890 120.890 114.001 6.889 17825 3934 1 13 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.952 -0.212 17825 3935 1 13 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.822 0.064 17825 3936 1 13 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.320 -0.294 17825 3937 1 13 . 1 1 7 7 ILE H H 7 8.174 8.174 7.558 0.616 17825 3938 1 13 . 1 1 8 8 LEU N N 8 115.091 115.091 117.736 -2.645 17825 3939 1 13 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.305 -0.029 17825 3940 1 13 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.213 -1.551 17825 3941 1 13 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.259 -1.393 17825 3942 1 13 . 1 1 8 8 LEU H H 8 7.039 7.039 7.594 -0.555 17825 3943 1 13 . 1 1 9 9 ASP N N 9 119.283 119.283 113.856 5.427 17825 3944 1 13 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.436 -0.128 17825 3945 1 13 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.531 -0.216 17825 3946 1 13 . 1 1 9 9 ASP CB C 9 39.506 39.506 43.074 -3.568 17825 3947 1 13 . 1 1 9 9 ASP H H 9 7.997 7.997 7.827 0.170 17825 3948 1 13 . 1 1 10 10 VAL N N 10 111.344 111.344 116.572 -5.228 17825 3949 1 13 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.799 0.157 17825 3950 1 13 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.099 -1.313 17825 3951 1 13 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.047 0.619 17825 3952 1 13 . 1 1 10 10 VAL H H 10 8.115 8.115 7.900 0.215 17825 3953 1 13 . 1 1 11 11 PRO HA H 11 3.718 3.718 5.195 -1.477 17825 3954 1 13 . 1 1 12 12 ARG N N 12 118.354 118.354 118.008 0.346 17825 3955 1 13 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.040 0.487 17825 3956 1 13 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.881 -1.235 17825 3957 1 13 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.895 -0.649 17825 3958 1 13 . 1 1 12 12 ARG H H 12 8.291 8.291 8.857 -0.566 17825 3959 1 13 . 1 1 13 13 SER N N 13 107.420 107.420 113.975 -6.555 17825 3960 1 13 . 1 1 13 13 SER HA H 13 4.285 4.285 4.330 -0.045 17825 3961 1 13 . 1 1 13 13 SER CA C 13 56.468 56.468 59.151 -2.683 17825 3962 1 13 . 1 1 13 13 SER CB C 13 62.713 62.713 62.737 -0.024 17825 3963 1 13 . 1 1 13 13 SER H H 13 7.181 7.181 7.950 -0.769 17825 3964 1 13 . 1 1 14 14 ALA N N 14 124.202 124.202 125.750 -1.548 17825 3965 1 13 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.514 -0.188 17825 3966 1 13 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.856 0.714 17825 3967 1 13 . 1 1 14 14 ALA CB C 14 20.312 20.312 20.099 0.213 17825 3968 1 13 . 1 1 14 14 ALA H H 14 7.631 7.631 7.473 0.158 17825 3969 1 13 . 1 1 15 15 SER N N 15 118.770 118.770 117.380 1.390 17825 3970 1 13 . 1 1 15 15 SER HA H 15 4.675 4.675 4.331 0.344 17825 3971 1 13 . 1 1 15 15 SER CA C 15 56.381 56.381 57.409 -1.028 17825 3972 1 13 . 1 1 15 15 SER CB C 15 65.323 65.323 64.227 1.096 17825 3973 1 13 . 1 1 15 15 SER H H 15 9.295 9.295 8.148 1.147 17825 3974 1 13 . 1 1 16 16 ALA N N 16 122.893 122.893 126.235 -3.342 17825 3975 1 13 . 1 1 16 16 ALA HA H 16 4.144 4.144 3.986 0.158 17825 3976 1 13 . 1 1 16 16 ALA CA C 16 55.293 55.293 54.999 0.294 17825 3977 1 13 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.172 0.133 17825 3978 1 13 . 1 1 16 16 ALA H H 16 9.025 9.025 8.849 0.176 17825 3979 1 13 . 1 1 17 17 ASP N N 17 118.305 118.305 117.948 0.357 17825 3980 1 13 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.357 0.148 17825 3981 1 13 . 1 1 17 17 ASP CA C 17 57.169 57.169 58.284 -1.115 17825 3982 1 13 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.348 0.374 17825 3983 1 13 . 1 1 17 17 ASP H H 17 8.403 8.403 8.621 -0.218 17825 3984 1 13 . 1 1 18 18 ASP N N 18 121.474 121.474 120.322 1.152 17825 3985 1 13 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.502 -0.093 17825 3986 1 13 . 1 1 18 18 ASP CA C 18 57.080 57.080 56.855 0.226 17825 3987 1 13 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.731 -0.532 17825 3988 1 13 . 1 1 18 18 ASP H H 18 8.062 8.062 8.028 0.034 17825 3989 1 13 . 1 1 19 19 ILE N N 19 122.227 122.227 120.376 1.851 17825 3990 1 13 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.710 -0.057 17825 3991 1 13 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.018 0.171 17825 3992 1 13 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.076 -0.267 17825 3993 1 13 . 1 1 19 19 ILE H H 19 8.181 8.181 7.504 0.677 17825 3994 1 13 . 1 1 20 20 LYS N N 20 120.936 120.936 119.933 1.003 17825 3995 1 13 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.990 0.211 17825 3996 1 13 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.682 0.713 17825 3997 1 13 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.068 0.371 17825 3998 1 13 . 1 1 20 20 LYS H H 20 8.035 8.035 8.291 -0.256 17825 3999 1 13 . 1 1 21 21 LYS N N 21 118.610 118.610 120.442 -1.832 17825 4000 1 13 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.054 -0.087 17825 4001 1 13 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.379 1.327 17825 4002 1 13 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.996 0.582 17825 4003 1 13 . 1 1 21 21 LYS H H 21 8.204 8.204 7.820 0.384 17825 4004 1 13 . 1 1 22 22 ALA N N 22 122.873 122.873 121.898 0.975 17825 4005 1 13 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.058 0.117 17825 4006 1 13 . 1 1 22 22 ALA CA C 22 54.795 54.795 54.972 -0.177 17825 4007 1 13 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.009 1.793 17825 4008 1 13 . 1 1 22 22 ALA H H 22 8.091 8.091 8.103 -0.012 17825 4009 1 13 . 1 1 23 23 TYR N N 23 118.422 118.422 119.677 -1.255 17825 4010 1 13 . 1 1 23 23 TYR HA H 23 3.949 3.949 3.966 -0.017 17825 4011 1 13 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.129 -0.679 17825 4012 1 13 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.868 0.673 17825 4013 1 13 . 1 1 23 23 TYR H H 23 8.527 8.527 8.259 0.268 17825 4014 1 13 . 1 1 24 24 ARG N N 24 117.379 117.379 118.566 -1.187 17825 4015 1 13 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.367 0.095 17825 4016 1 13 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.378 -0.456 17825 4017 1 13 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.769 -0.223 17825 4018 1 13 . 1 1 24 24 ARG H H 24 7.878 7.878 7.716 0.162 17825 4019 1 13 . 1 1 25 25 ARG N N 25 117.097 117.097 120.272 -3.175 17825 4020 1 13 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.961 0.085 17825 4021 1 13 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.318 0.067 17825 4022 1 13 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.996 0.436 17825 4023 1 13 . 1 1 25 25 ARG H H 25 7.612 7.612 7.952 -0.340 17825 4024 1 13 . 1 1 26 26 LYS N N 26 120.499 120.499 119.447 1.052 17825 4025 1 13 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.132 0.075 17825 4026 1 13 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.369 -2.207 17825 4027 1 13 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.264 0.851 17825 4028 1 13 . 1 1 26 26 LYS H H 26 8.460 8.460 8.205 0.255 17825 4029 1 13 . 1 1 27 27 ALA N N 27 122.515 122.515 122.321 0.194 17825 4030 1 13 . 1 1 27 27 ALA HA H 27 3.965 3.965 3.961 0.004 17825 4031 1 13 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.809 -0.167 17825 4032 1 13 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.301 -1.004 17825 4033 1 13 . 1 1 27 27 ALA H H 27 9.009 9.009 7.735 1.274 17825 4034 1 13 . 1 1 28 28 LEU N N 28 116.108 116.108 117.719 -1.611 17825 4035 1 13 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.980 0.160 17825 4036 1 13 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.655 -0.839 17825 4037 1 13 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.745 0.110 17825 4038 1 13 . 1 1 28 28 LEU H H 28 7.149 7.149 7.452 -0.303 17825 4039 1 13 . 1 1 29 29 GLN N N 29 118.295 118.295 119.782 -1.487 17825 4040 1 13 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.851 -0.125 17825 4041 1 13 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.839 -0.645 17825 4042 1 13 . 1 1 29 29 GLN CB C 29 28.132 28.132 29.056 -0.924 17825 4043 1 13 . 1 1 29 29 GLN H H 29 7.552 7.552 8.011 -0.459 17825 4044 1 13 . 1 1 30 30 TRP N N 30 114.410 114.410 114.977 -0.567 17825 4045 1 13 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.791 0.320 17825 4046 1 13 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.297 -0.984 17825 4047 1 13 . 1 1 30 30 TRP CB C 30 30.039 30.039 30.006 0.033 17825 4048 1 13 . 1 1 30 30 TRP H H 30 7.713 7.713 7.625 0.088 17825 4049 1 13 . 1 1 31 31 HIS N N 31 121.533 121.533 120.698 0.835 17825 4050 1 13 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.746 -0.780 17825 4051 1 13 . 1 1 31 31 HIS CA C 31 56.612 56.612 54.858 1.754 17825 4052 1 13 . 1 1 31 31 HIS CB C 31 31.108 31.108 30.217 0.891 17825 4053 1 13 . 1 1 31 31 HIS H H 31 7.299 7.299 7.289 0.010 17825 4054 1 13 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.247 -0.155 17825 4055 1 13 . 1 1 33 33 ASP N N 33 120.057 120.057 117.869 2.188 17825 4056 1 13 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.469 0.002 17825 4057 1 13 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.439 0.095 17825 4058 1 13 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.533 -0.702 17825 4059 1 13 . 1 1 33 33 ASP H H 33 10.765 10.765 8.681 2.084 17825 4060 1 13 . 1 1 34 34 LYS N N 34 116.570 116.570 117.041 -0.471 17825 4061 1 13 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.563 -0.115 17825 4062 1 13 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.776 -0.698 17825 4063 1 13 . 1 1 34 34 LYS CB C 34 32.455 32.455 32.834 -0.379 17825 4064 1 13 . 1 1 34 34 LYS H H 34 7.842 7.842 7.937 -0.095 17825 4065 1 13 . 1 1 35 35 ASN N N 35 118.970 118.970 119.206 -0.236 17825 4066 1 13 . 1 1 35 35 ASN HA H 35 5.291 5.291 4.915 0.376 17825 4067 1 13 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.270 1.751 17825 4068 1 13 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.861 2.336 17825 4069 1 13 . 1 1 35 35 ASN H H 35 7.588 7.588 7.452 0.136 17825 4070 1 13 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.733 -0.382 17825 4071 1 13 . 1 1 37 37 ASP N N 37 116.874 116.874 116.055 0.819 17825 4072 1 13 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.700 0.076 17825 4073 1 13 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.790 -0.753 17825 4074 1 13 . 1 1 37 37 ASP CB C 37 40.812 40.812 40.951 -0.139 17825 4075 1 13 . 1 1 37 37 ASP H H 37 8.521 8.521 8.310 0.211 17825 4076 1 13 . 1 1 38 38 ASN N N 38 120.484 120.484 118.930 1.554 17825 4077 1 13 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.985 0.123 17825 4078 1 13 . 1 1 38 38 ASN CA C 38 51.780 51.780 52.990 -1.210 17825 4079 1 13 . 1 1 38 38 ASN CB C 38 38.694 38.694 39.164 -0.470 17825 4080 1 13 . 1 1 38 38 ASN H H 38 7.901 7.901 8.258 -0.357 17825 4081 1 13 . 1 1 39 39 LYS N N 39 121.973 121.973 123.813 -1.840 17825 4082 1 13 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.544 -0.525 17825 4083 1 13 . 1 1 39 39 LYS CA C 39 60.723 60.723 58.203 2.520 17825 4084 1 13 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.011 0.259 17825 4085 1 13 . 1 1 39 39 LYS H H 39 8.362 8.362 8.747 -0.385 17825 4086 1 13 . 1 1 40 40 GLU N N 40 119.447 119.447 121.918 -2.471 17825 4087 1 13 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.023 0.082 17825 4088 1 13 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.994 -0.182 17825 4089 1 13 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.316 -0.739 17825 4090 1 13 . 1 1 40 40 GLU H H 40 8.746 8.746 8.733 0.013 17825 4091 1 13 . 1 1 41 41 PHE N N 41 121.498 121.498 116.963 4.535 17825 4092 1 13 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.119 0.052 17825 4093 1 13 . 1 1 41 41 PHE CA C 41 60.572 60.572 60.884 -0.312 17825 4094 1 13 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.422 1.078 17825 4095 1 13 . 1 1 41 41 PHE H H 41 8.273 8.273 8.415 -0.142 17825 4096 1 13 . 1 1 42 42 ALA N N 42 120.231 120.231 122.159 -1.928 17825 4097 1 13 . 1 1 42 42 ALA HA H 42 4.111 4.111 4.141 -0.030 17825 4098 1 13 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.401 -0.325 17825 4099 1 13 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.602 -0.486 17825 4100 1 13 . 1 1 42 42 ALA H H 42 8.238 8.238 8.069 0.169 17825 4101 1 13 . 1 1 43 43 GLU N N 43 117.279 117.279 117.742 -0.463 17825 4102 1 13 . 1 1 43 43 GLU HA H 43 4.042 4.042 4.024 0.018 17825 4103 1 13 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.079 0.673 17825 4104 1 13 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.234 0.032 17825 4105 1 13 . 1 1 43 43 GLU H H 43 8.523 8.523 8.681 -0.158 17825 4106 1 13 . 1 1 44 44 LYS N N 44 119.444 119.444 120.290 -0.846 17825 4107 1 13 . 1 1 44 44 LYS HA H 44 3.951 3.951 3.982 -0.031 17825 4108 1 13 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.565 -0.115 17825 4109 1 13 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.316 -0.710 17825 4110 1 13 . 1 1 44 44 LYS H H 44 7.356 7.356 8.270 -0.914 17825 4111 1 13 . 1 1 45 45 LYS N N 45 119.401 119.401 119.082 0.319 17825 4112 1 13 . 1 1 45 45 LYS HA H 45 3.600 3.600 3.891 -0.291 17825 4113 1 13 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.231 -1.958 17825 4114 1 13 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.213 -1.831 17825 4115 1 13 . 1 1 45 45 LYS H H 45 7.584 7.584 7.945 -0.361 17825 4116 1 13 . 1 1 46 46 PHE N N 46 121.408 121.408 120.595 0.813 17825 4117 1 13 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.171 -0.240 17825 4118 1 13 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.895 -0.333 17825 4119 1 13 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.050 -0.034 17825 4120 1 13 . 1 1 46 46 PHE H H 46 9.323 9.323 8.414 0.909 17825 4121 1 13 . 1 1 47 47 LYS N N 47 119.512 119.512 119.667 -0.155 17825 4122 1 13 . 1 1 47 47 LYS HA H 47 3.913 3.913 4.016 -0.103 17825 4123 1 13 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.091 0.259 17825 4124 1 13 . 1 1 47 47 LYS CB C 47 31.885 31.885 31.831 0.055 17825 4125 1 13 . 1 1 47 47 LYS H H 47 8.147 8.147 7.985 0.162 17825 4126 1 13 . 1 1 48 48 GLU N N 48 119.665 119.665 119.839 -0.174 17825 4127 1 13 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.063 0.035 17825 4128 1 13 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.256 -0.263 17825 4129 1 13 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.338 0.250 17825 4130 1 13 . 1 1 48 48 GLU H H 48 7.540 7.540 8.345 -0.805 17825 4131 1 13 . 1 1 49 49 VAL N N 49 120.333 120.333 120.229 0.104 17825 4132 1 13 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.778 -0.312 17825 4133 1 13 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.445 0.175 17825 4134 1 13 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.624 0.167 17825 4135 1 13 . 1 1 49 49 VAL H H 49 7.727 7.727 8.186 -0.459 17825 4136 1 13 . 1 1 50 50 ALA N N 50 122.082 122.082 121.970 0.112 17825 4137 1 13 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.887 0.054 17825 4138 1 13 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.451 -0.354 17825 4139 1 13 . 1 1 50 50 ALA CB C 50 17.874 17.874 17.965 -0.091 17825 4140 1 13 . 1 1 50 50 ALA H H 50 8.070 8.070 7.786 0.284 17825 4141 1 13 . 1 1 51 51 GLU N N 51 119.977 119.977 118.095 1.882 17825 4142 1 13 . 1 1 51 51 GLU HA H 51 3.819 3.819 4.022 -0.203 17825 4143 1 13 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.706 -0.015 17825 4144 1 13 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.473 -0.107 17825 4145 1 13 . 1 1 51 51 GLU H H 51 7.888 7.888 7.947 -0.059 17825 4146 1 13 . 1 1 52 52 ALA N N 52 119.318 119.318 122.132 -2.814 17825 4147 1 13 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.015 0.324 17825 4148 1 13 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.672 -2.036 17825 4149 1 13 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.314 0.516 17825 4150 1 13 . 1 1 52 52 ALA H H 52 7.727 7.727 8.019 -0.292 17825 4151 1 13 . 1 1 53 53 TYR N N 53 116.011 116.011 119.362 -3.351 17825 4152 1 13 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.081 -0.383 17825 4153 1 13 . 1 1 53 53 TYR CA C 53 60.445 60.445 61.106 -0.661 17825 4154 1 13 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.611 0.783 17825 4155 1 13 . 1 1 53 53 TYR H H 53 8.245 8.245 8.808 -0.563 17825 4156 1 13 . 1 1 54 54 GLU N N 54 122.173 122.173 119.462 2.711 17825 4157 1 13 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.547 -0.204 17825 4158 1 13 . 1 1 54 54 GLU CA C 54 59.048 59.048 59.275 -0.227 17825 4159 1 13 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.470 -0.517 17825 4160 1 13 . 1 1 54 54 GLU H H 54 8.125 8.125 7.646 0.479 17825 4161 1 13 . 1 1 55 55 VAL N N 55 115.105 115.105 119.265 -4.160 17825 4162 1 13 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.645 -0.217 17825 4163 1 13 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.489 -0.262 17825 4164 1 13 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.650 0.126 17825 4165 1 13 . 1 1 55 55 VAL H H 55 6.790 6.790 7.686 -0.896 17825 4166 1 13 . 1 1 56 56 LEU N N 56 111.133 111.133 117.639 -6.506 17825 4167 1 13 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.946 -0.256 17825 4168 1 13 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.645 -0.386 17825 4169 1 13 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.375 0.287 17825 4170 1 13 . 1 1 56 56 LEU H H 56 7.737 7.737 7.564 0.173 17825 4171 1 13 . 1 1 57 57 SER N N 57 109.014 109.014 111.851 -2.837 17825 4172 1 13 . 1 1 57 57 SER HA H 57 3.960 3.960 4.193 -0.233 17825 4173 1 13 . 1 1 57 57 SER CA C 57 58.594 58.594 59.446 -0.852 17825 4174 1 13 . 1 1 57 57 SER CB C 57 63.191 63.191 63.261 -0.070 17825 4175 1 13 . 1 1 57 57 SER H H 57 7.808 7.808 7.582 0.226 17825 4176 1 13 . 1 1 58 58 ASP N N 58 125.471 125.471 121.758 3.713 17825 4177 1 13 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.809 -0.006 17825 4178 1 13 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.155 -1.028 17825 4179 1 13 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.748 0.726 17825 4180 1 13 . 1 1 58 58 ASP H H 58 7.029 7.029 7.255 -0.226 17825 4181 1 13 . 1 1 59 59 LYS N N 59 125.812 125.812 127.222 -1.410 17825 4182 1 13 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.971 -0.107 17825 4183 1 13 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.885 -0.087 17825 4184 1 13 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.291 -0.051 17825 4185 1 13 . 1 1 59 59 LYS H H 59 8.731 8.731 8.815 -0.084 17825 4186 1 13 . 1 1 60 60 HIS N N 60 116.930 116.930 118.718 -1.788 17825 4187 1 13 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.837 -0.254 17825 4188 1 13 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.314 -0.863 17825 4189 1 13 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.369 -0.196 17825 4190 1 13 . 1 1 60 60 HIS H H 60 8.066 8.066 8.374 -0.308 17825 4191 1 13 . 1 1 61 61 LYS N N 61 120.552 120.552 119.480 1.072 17825 4192 1 13 . 1 1 61 61 LYS HA H 61 3.892 3.892 3.986 -0.094 17825 4193 1 13 . 1 1 61 61 LYS CA C 61 59.853 59.853 59.698 0.155 17825 4194 1 13 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.641 1.209 17825 4195 1 13 . 1 1 61 61 LYS H H 61 8.593 8.593 8.346 0.247 17825 4196 1 13 . 1 1 62 62 ARG N N 62 120.957 120.957 118.949 2.008 17825 4197 1 13 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.091 -0.381 17825 4198 1 13 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.347 0.902 17825 4199 1 13 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.680 -0.457 17825 4200 1 13 . 1 1 62 62 ARG H H 62 9.265 9.265 8.485 0.780 17825 4201 1 13 . 1 1 63 63 GLU N N 63 117.661 117.661 119.996 -2.335 17825 4202 1 13 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.138 0.015 17825 4203 1 13 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.029 0.166 17825 4204 1 13 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.256 -0.355 17825 4205 1 13 . 1 1 63 63 GLU H H 63 7.562 7.562 7.805 -0.243 17825 4206 1 13 . 1 1 64 64 ILE N N 64 119.447 119.447 121.151 -1.704 17825 4207 1 13 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.751 0.091 17825 4208 1 13 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.292 0.609 17825 4209 1 13 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.635 0.892 17825 4210 1 13 . 1 1 64 64 ILE H H 64 7.597 7.597 7.809 -0.212 17825 4211 1 13 . 1 1 65 65 TYR N N 65 122.673 122.673 121.034 1.639 17825 4212 1 13 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.030 0.092 17825 4213 1 13 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.331 -1.402 17825 4214 1 13 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.321 0.554 17825 4215 1 13 . 1 1 65 65 TYR H H 65 8.989 8.989 8.654 0.335 17825 4216 1 13 . 1 1 66 66 ASP N N 66 121.011 121.011 118.435 2.576 17825 4217 1 13 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.367 -0.019 17825 4218 1 13 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.549 -0.990 17825 4219 1 13 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.126 -1.535 17825 4220 1 13 . 1 1 66 66 ASP H H 66 9.331 9.331 8.220 1.111 17825 4221 1 13 . 1 1 67 67 ARG N N 67 117.684 117.684 117.928 -0.244 17825 4222 1 13 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.279 -0.194 17825 4223 1 13 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.098 -0.589 17825 4224 1 13 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.752 0.806 17825 4225 1 13 . 1 1 67 67 ARG H H 67 7.452 7.452 7.792 -0.340 17825 4226 1 13 . 1 1 68 68 TYR N N 68 115.660 115.660 120.169 -4.509 17825 4227 1 13 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.655 0.115 17825 4228 1 13 . 1 1 68 68 TYR CA C 68 57.431 57.431 57.754 -0.323 17825 4229 1 13 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.626 1.005 17825 4230 1 13 . 1 1 68 68 TYR H H 68 8.712 8.712 8.547 0.165 17825 4231 1 13 . 1 1 69 69 GLY N N 69 109.947 109.947 109.185 0.762 17825 4232 1 13 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.267 -1.639 17825 4233 1 13 . 1 1 69 69 GLY H H 69 8.311 8.311 7.817 0.494 17825 4234 1 13 . 1 1 70 70 ARG N N 70 120.184 120.184 119.675 0.509 17825 4235 1 13 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.053 0.115 17825 4236 1 13 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.774 2.050 17825 4237 1 13 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.794 0.393 17825 4238 1 13 . 1 1 70 70 ARG H H 70 8.756 8.756 8.217 0.539 17825 4239 1 14 . 1 1 3 3 SER N N 3 115.996 115.996 120.268 -4.272 17825 4240 1 14 . 1 1 3 3 SER HA H 3 4.428 4.428 4.149 0.279 17825 4241 1 14 . 1 1 3 3 SER CA C 3 56.636 56.636 60.693 -4.057 17825 4242 1 14 . 1 1 3 3 SER CB C 3 64.556 64.556 63.173 1.383 17825 4243 1 14 . 1 1 3 3 SER H H 3 8.840 8.840 8.892 -0.052 17825 4244 1 14 . 1 1 4 4 TYR N N 4 119.562 119.562 120.017 -0.455 17825 4245 1 14 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.217 0.253 17825 4246 1 14 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.698 -2.734 17825 4247 1 14 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.451 -0.247 17825 4248 1 14 . 1 1 4 4 TYR H H 4 8.255 8.255 8.055 0.200 17825 4249 1 14 . 1 1 5 5 TYR N N 5 114.704 114.704 120.862 -6.158 17825 4250 1 14 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.430 -0.488 17825 4251 1 14 . 1 1 5 5 TYR CA C 5 61.713 61.713 60.873 0.840 17825 4252 1 14 . 1 1 5 5 TYR CB C 5 36.983 36.983 38.699 -1.716 17825 4253 1 14 . 1 1 5 5 TYR H H 5 7.137 7.137 7.931 -0.794 17825 4254 1 14 . 1 1 6 6 GLU N N 6 119.884 119.884 116.967 2.917 17825 4255 1 14 . 1 1 6 6 GLU HA H 6 4.260 4.260 3.984 0.276 17825 4256 1 14 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.926 -0.447 17825 4257 1 14 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.365 0.291 17825 4258 1 14 . 1 1 6 6 GLU H H 6 7.622 7.622 7.686 -0.064 17825 4259 1 14 . 1 1 7 7 ILE N N 7 120.890 120.890 115.576 5.314 17825 4260 1 14 . 1 1 7 7 ILE HA H 7 3.740 3.740 4.048 -0.307 17825 4261 1 14 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.254 0.632 17825 4262 1 14 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.136 -0.110 17825 4263 1 14 . 1 1 7 7 ILE H H 7 8.174 8.174 7.888 0.286 17825 4264 1 14 . 1 1 8 8 LEU N N 8 115.091 115.091 119.204 -4.113 17825 4265 1 14 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.602 -0.326 17825 4266 1 14 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.883 -2.221 17825 4267 1 14 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.749 -2.884 17825 4268 1 14 . 1 1 8 8 LEU H H 8 7.039 7.039 8.122 -1.083 17825 4269 1 14 . 1 1 9 9 ASP N N 9 119.283 119.283 112.952 6.331 17825 4270 1 14 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.437 -0.129 17825 4271 1 14 . 1 1 9 9 ASP CA C 9 54.315 54.315 53.989 0.326 17825 4272 1 14 . 1 1 9 9 ASP CB C 9 39.506 39.506 41.679 -2.173 17825 4273 1 14 . 1 1 9 9 ASP H H 9 7.997 7.997 8.115 -0.118 17825 4274 1 14 . 1 1 10 10 VAL N N 10 111.344 111.344 114.971 -3.627 17825 4275 1 14 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.916 0.040 17825 4276 1 14 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.181 -1.395 17825 4277 1 14 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.874 -0.208 17825 4278 1 14 . 1 1 10 10 VAL H H 10 8.115 8.115 7.701 0.414 17825 4279 1 14 . 1 1 11 11 PRO HA H 11 3.718 3.718 5.054 -1.336 17825 4280 1 14 . 1 1 12 12 ARG N N 12 118.354 118.354 117.046 1.308 17825 4281 1 14 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.144 0.384 17825 4282 1 14 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.485 -0.839 17825 4283 1 14 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.628 -0.382 17825 4284 1 14 . 1 1 12 12 ARG H H 12 8.291 8.291 8.536 -0.245 17825 4285 1 14 . 1 1 13 13 SER N N 13 107.420 107.420 114.180 -6.760 17825 4286 1 14 . 1 1 13 13 SER HA H 13 4.285 4.285 4.358 -0.073 17825 4287 1 14 . 1 1 13 13 SER CA C 13 56.468 56.468 59.343 -2.875 17825 4288 1 14 . 1 1 13 13 SER CB C 13 62.713 62.713 63.022 -0.309 17825 4289 1 14 . 1 1 13 13 SER H H 13 7.181 7.181 8.118 -0.937 17825 4290 1 14 . 1 1 14 14 ALA N N 14 124.202 124.202 124.534 -0.332 17825 4291 1 14 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.371 -0.045 17825 4292 1 14 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.987 0.583 17825 4293 1 14 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.848 0.465 17825 4294 1 14 . 1 1 14 14 ALA H H 14 7.631 7.631 7.219 0.412 17825 4295 1 14 . 1 1 15 15 SER N N 15 118.770 118.770 117.511 1.259 17825 4296 1 14 . 1 1 15 15 SER HA H 15 4.675 4.675 4.371 0.304 17825 4297 1 14 . 1 1 15 15 SER CA C 15 56.381 56.381 57.191 -0.810 17825 4298 1 14 . 1 1 15 15 SER CB C 15 65.323 65.323 64.359 0.964 17825 4299 1 14 . 1 1 15 15 SER H H 15 9.295 9.295 8.401 0.894 17825 4300 1 14 . 1 1 16 16 ALA N N 16 122.893 122.893 127.724 -4.831 17825 4301 1 14 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.014 0.130 17825 4302 1 14 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.264 0.029 17825 4303 1 14 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.803 -0.498 17825 4304 1 14 . 1 1 16 16 ALA H H 16 9.025 9.025 8.894 0.131 17825 4305 1 14 . 1 1 17 17 ASP N N 17 118.305 118.305 116.647 1.658 17825 4306 1 14 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.346 0.159 17825 4307 1 14 . 1 1 17 17 ASP CA C 17 57.169 57.169 56.755 0.414 17825 4308 1 14 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.185 0.536 17825 4309 1 14 . 1 1 17 17 ASP H H 17 8.403 8.403 8.306 0.097 17825 4310 1 14 . 1 1 18 18 ASP N N 18 121.474 121.474 121.035 0.439 17825 4311 1 14 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.465 -0.056 17825 4312 1 14 . 1 1 18 18 ASP CA C 18 57.080 57.080 56.899 0.181 17825 4313 1 14 . 1 1 18 18 ASP CB C 18 40.199 40.199 41.005 -0.806 17825 4314 1 14 . 1 1 18 18 ASP H H 18 8.062 8.062 7.749 0.313 17825 4315 1 14 . 1 1 19 19 ILE N N 19 122.227 122.227 120.987 1.240 17825 4316 1 14 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.693 -0.040 17825 4317 1 14 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.060 0.129 17825 4318 1 14 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.020 -0.211 17825 4319 1 14 . 1 1 19 19 ILE H H 19 8.181 8.181 8.058 0.123 17825 4320 1 14 . 1 1 20 20 LYS N N 20 120.936 120.936 120.314 0.622 17825 4321 1 14 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.942 0.259 17825 4322 1 14 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.322 1.073 17825 4323 1 14 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.059 0.381 17825 4324 1 14 . 1 1 20 20 LYS H H 20 8.035 8.035 8.304 -0.269 17825 4325 1 14 . 1 1 21 21 LYS N N 21 118.610 118.610 119.146 -0.536 17825 4326 1 14 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.078 -0.111 17825 4327 1 14 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.634 1.072 17825 4328 1 14 . 1 1 21 21 LYS CB C 21 32.578 32.578 32.146 0.432 17825 4329 1 14 . 1 1 21 21 LYS H H 21 8.204 8.204 7.996 0.208 17825 4330 1 14 . 1 1 22 22 ALA N N 22 122.873 122.873 122.539 0.334 17825 4331 1 14 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.031 0.144 17825 4332 1 14 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.135 -0.340 17825 4333 1 14 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.283 1.519 17825 4334 1 14 . 1 1 22 22 ALA H H 22 8.091 8.091 8.259 -0.168 17825 4335 1 14 . 1 1 23 23 TYR N N 23 118.422 118.422 119.941 -1.519 17825 4336 1 14 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.025 -0.076 17825 4337 1 14 . 1 1 23 23 TYR CA C 23 60.450 60.450 61.359 -0.909 17825 4338 1 14 . 1 1 23 23 TYR CB C 23 38.541 38.541 38.020 0.521 17825 4339 1 14 . 1 1 23 23 TYR H H 23 8.527 8.527 8.472 0.055 17825 4340 1 14 . 1 1 24 24 ARG N N 24 117.379 117.379 119.055 -1.676 17825 4341 1 14 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.348 0.114 17825 4342 1 14 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.972 -1.050 17825 4343 1 14 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.070 -0.524 17825 4344 1 14 . 1 1 24 24 ARG H H 24 7.878 7.878 8.055 -0.177 17825 4345 1 14 . 1 1 25 25 ARG N N 25 117.097 117.097 118.726 -1.629 17825 4346 1 14 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.979 0.067 17825 4347 1 14 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.009 0.376 17825 4348 1 14 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.603 0.829 17825 4349 1 14 . 1 1 25 25 ARG H H 25 7.612 7.612 8.461 -0.849 17825 4350 1 14 . 1 1 26 26 LYS N N 26 120.499 120.499 120.522 -0.023 17825 4351 1 14 . 1 1 26 26 LYS HA H 26 4.207 4.207 3.743 0.464 17825 4352 1 14 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.889 -1.727 17825 4353 1 14 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.329 0.786 17825 4354 1 14 . 1 1 26 26 LYS H H 26 8.460 8.460 7.822 0.638 17825 4355 1 14 . 1 1 27 27 ALA N N 27 122.515 122.515 121.986 0.529 17825 4356 1 14 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.258 -0.293 17825 4357 1 14 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.769 -0.127 17825 4358 1 14 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.354 -1.057 17825 4359 1 14 . 1 1 27 27 ALA H H 27 9.009 9.009 7.796 1.213 17825 4360 1 14 . 1 1 28 28 LEU N N 28 116.108 116.108 118.292 -2.184 17825 4361 1 14 . 1 1 28 28 LEU HA H 28 4.140 4.140 4.003 0.137 17825 4362 1 14 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.488 -0.672 17825 4363 1 14 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.474 0.381 17825 4364 1 14 . 1 1 28 28 LEU H H 28 7.149 7.149 7.787 -0.638 17825 4365 1 14 . 1 1 29 29 GLN N N 29 118.295 118.295 117.728 0.567 17825 4366 1 14 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.956 -0.230 17825 4367 1 14 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.312 -0.118 17825 4368 1 14 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.400 -0.268 17825 4369 1 14 . 1 1 29 29 GLN H H 29 7.552 7.552 7.691 -0.139 17825 4370 1 14 . 1 1 30 30 TRP N N 30 114.410 114.410 114.538 -0.128 17825 4371 1 14 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.673 0.438 17825 4372 1 14 . 1 1 30 30 TRP CA C 30 55.313 55.313 55.802 -0.489 17825 4373 1 14 . 1 1 30 30 TRP CB C 30 30.039 30.039 28.676 1.363 17825 4374 1 14 . 1 1 30 30 TRP H H 30 7.713 7.713 7.077 0.636 17825 4375 1 14 . 1 1 31 31 HIS N N 31 121.533 121.533 120.748 0.785 17825 4376 1 14 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.601 -0.635 17825 4377 1 14 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.736 -0.124 17825 4378 1 14 . 1 1 31 31 HIS CB C 31 31.108 31.108 32.085 -0.977 17825 4379 1 14 . 1 1 31 31 HIS H H 31 7.299 7.299 7.341 -0.042 17825 4380 1 14 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.236 -0.144 17825 4381 1 14 . 1 1 33 33 ASP N N 33 120.057 120.057 119.592 0.465 17825 4382 1 14 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.565 -0.094 17825 4383 1 14 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.560 -0.026 17825 4384 1 14 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.354 -0.523 17825 4385 1 14 . 1 1 33 33 ASP H H 33 10.765 10.765 8.295 2.470 17825 4386 1 14 . 1 1 34 34 LYS N N 34 116.570 116.570 115.963 0.607 17825 4387 1 14 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.640 -0.192 17825 4388 1 14 . 1 1 34 34 LYS CA C 34 54.078 54.078 54.723 -0.645 17825 4389 1 14 . 1 1 34 34 LYS CB C 34 32.455 32.455 32.762 -0.307 17825 4390 1 14 . 1 1 34 34 LYS H H 34 7.842 7.842 7.976 -0.134 17825 4391 1 14 . 1 1 35 35 ASN N N 35 118.970 118.970 119.977 -1.007 17825 4392 1 14 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.047 0.244 17825 4393 1 14 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.732 1.289 17825 4394 1 14 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.867 2.330 17825 4395 1 14 . 1 1 35 35 ASN H H 35 7.588 7.588 7.319 0.269 17825 4396 1 14 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.701 -0.350 17825 4397 1 14 . 1 1 37 37 ASP N N 37 116.874 116.874 116.185 0.689 17825 4398 1 14 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.710 0.067 17825 4399 1 14 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.638 -0.601 17825 4400 1 14 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.602 -0.790 17825 4401 1 14 . 1 1 37 37 ASP H H 37 8.521 8.521 8.520 0.001 17825 4402 1 14 . 1 1 38 38 ASN N N 38 120.484 120.484 119.724 0.760 17825 4403 1 14 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.909 0.199 17825 4404 1 14 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.148 -1.367 17825 4405 1 14 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.959 -0.265 17825 4406 1 14 . 1 1 38 38 ASN H H 38 7.901 7.901 8.262 -0.361 17825 4407 1 14 . 1 1 39 39 LYS N N 39 121.973 121.973 122.403 -0.430 17825 4408 1 14 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.580 -0.561 17825 4409 1 14 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.428 3.295 17825 4410 1 14 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.277 -0.007 17825 4411 1 14 . 1 1 39 39 LYS H H 39 8.362 8.362 8.551 -0.189 17825 4412 1 14 . 1 1 40 40 GLU N N 40 119.447 119.447 122.015 -2.568 17825 4413 1 14 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.248 -0.143 17825 4414 1 14 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.782 0.030 17825 4415 1 14 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.465 -0.888 17825 4416 1 14 . 1 1 40 40 GLU H H 40 8.746 8.746 8.790 -0.044 17825 4417 1 14 . 1 1 41 41 PHE N N 41 121.498 121.498 116.219 5.279 17825 4418 1 14 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.213 -0.042 17825 4419 1 14 . 1 1 41 41 PHE CA C 41 60.572 60.572 59.629 0.943 17825 4420 1 14 . 1 1 41 41 PHE CB C 41 39.500 39.500 37.797 1.703 17825 4421 1 14 . 1 1 41 41 PHE H H 41 8.273 8.273 8.255 0.018 17825 4422 1 14 . 1 1 42 42 ALA N N 42 120.231 120.231 123.092 -2.861 17825 4423 1 14 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.190 0.921 17825 4424 1 14 . 1 1 42 42 ALA CA C 42 55.076 55.076 54.627 0.449 17825 4425 1 14 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.137 -0.021 17825 4426 1 14 . 1 1 42 42 ALA H H 42 8.238 8.238 7.650 0.588 17825 4427 1 14 . 1 1 43 43 GLU N N 43 117.279 117.279 117.446 -0.167 17825 4428 1 14 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.927 0.115 17825 4429 1 14 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.015 0.737 17825 4430 1 14 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.221 0.045 17825 4431 1 14 . 1 1 43 43 GLU H H 43 8.523 8.523 8.328 0.195 17825 4432 1 14 . 1 1 44 44 LYS N N 44 119.444 119.444 120.062 -0.618 17825 4433 1 14 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.106 -0.155 17825 4434 1 14 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.208 0.242 17825 4435 1 14 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.424 -0.818 17825 4436 1 14 . 1 1 44 44 LYS H H 44 7.356 7.356 7.704 -0.348 17825 4437 1 14 . 1 1 45 45 LYS N N 45 119.401 119.401 119.530 -0.129 17825 4438 1 14 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.110 -0.510 17825 4439 1 14 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.014 -1.741 17825 4440 1 14 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.303 -1.921 17825 4441 1 14 . 1 1 45 45 LYS H H 45 7.584 7.584 8.167 -0.583 17825 4442 1 14 . 1 1 46 46 PHE N N 46 121.408 121.408 121.391 0.017 17825 4443 1 14 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.235 -0.304 17825 4444 1 14 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.803 -0.241 17825 4445 1 14 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.126 -0.110 17825 4446 1 14 . 1 1 46 46 PHE H H 46 9.323 9.323 8.173 1.150 17825 4447 1 14 . 1 1 47 47 LYS N N 47 119.512 119.512 119.880 -0.368 17825 4448 1 14 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.971 -0.058 17825 4449 1 14 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.993 -0.643 17825 4450 1 14 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.324 -0.439 17825 4451 1 14 . 1 1 47 47 LYS H H 47 8.147 8.147 7.892 0.255 17825 4452 1 14 . 1 1 48 48 GLU N N 48 119.665 119.665 119.532 0.133 17825 4453 1 14 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.072 0.026 17825 4454 1 14 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.377 -0.384 17825 4455 1 14 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.865 -0.277 17825 4456 1 14 . 1 1 48 48 GLU H H 48 7.540 7.540 8.135 -0.595 17825 4457 1 14 . 1 1 49 49 VAL N N 49 120.333 120.333 120.128 0.205 17825 4458 1 14 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.792 -0.326 17825 4459 1 14 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.928 -0.308 17825 4460 1 14 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.906 -0.115 17825 4461 1 14 . 1 1 49 49 VAL H H 49 7.727 7.727 8.472 -0.745 17825 4462 1 14 . 1 1 50 50 ALA N N 50 122.082 122.082 121.838 0.244 17825 4463 1 14 . 1 1 50 50 ALA HA H 50 3.941 3.941 4.063 -0.122 17825 4464 1 14 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.533 -0.436 17825 4465 1 14 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.051 -0.177 17825 4466 1 14 . 1 1 50 50 ALA H H 50 8.070 8.070 7.924 0.146 17825 4467 1 14 . 1 1 51 51 GLU N N 51 119.977 119.977 117.980 1.997 17825 4468 1 14 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.994 -0.175 17825 4469 1 14 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.752 -0.061 17825 4470 1 14 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.488 -0.122 17825 4471 1 14 . 1 1 51 51 GLU H H 51 7.888 7.888 7.916 -0.028 17825 4472 1 14 . 1 1 52 52 ALA N N 52 119.318 119.318 122.295 -2.977 17825 4473 1 14 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.184 0.155 17825 4474 1 14 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.726 -2.090 17825 4475 1 14 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.576 0.254 17825 4476 1 14 . 1 1 52 52 ALA H H 52 7.727 7.727 7.990 -0.263 17825 4477 1 14 . 1 1 53 53 TYR N N 53 116.011 116.011 118.624 -2.613 17825 4478 1 14 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.163 -0.465 17825 4479 1 14 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.495 -0.050 17825 4480 1 14 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.100 1.294 17825 4481 1 14 . 1 1 53 53 TYR H H 53 8.245 8.245 8.770 -0.525 17825 4482 1 14 . 1 1 54 54 GLU N N 54 122.173 122.173 119.948 2.225 17825 4483 1 14 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.215 0.128 17825 4484 1 14 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.764 0.284 17825 4485 1 14 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.109 -0.156 17825 4486 1 14 . 1 1 54 54 GLU H H 54 8.125 8.125 7.278 0.847 17825 4487 1 14 . 1 1 55 55 VAL N N 55 115.105 115.105 118.945 -3.840 17825 4488 1 14 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.620 -0.192 17825 4489 1 14 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.214 0.013 17825 4490 1 14 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.870 -0.094 17825 4491 1 14 . 1 1 55 55 VAL H H 55 6.790 6.790 7.475 -0.685 17825 4492 1 14 . 1 1 56 56 LEU N N 56 111.133 111.133 117.839 -6.706 17825 4493 1 14 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.644 0.046 17825 4494 1 14 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.725 -0.466 17825 4495 1 14 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.478 0.184 17825 4496 1 14 . 1 1 56 56 LEU H H 56 7.737 7.737 7.476 0.261 17825 4497 1 14 . 1 1 57 57 SER N N 57 109.014 109.014 111.990 -2.976 17825 4498 1 14 . 1 1 57 57 SER HA H 57 3.960 3.960 4.305 -0.345 17825 4499 1 14 . 1 1 57 57 SER CA C 57 58.594 58.594 60.286 -1.692 17825 4500 1 14 . 1 1 57 57 SER CB C 57 63.191 63.191 63.717 -0.526 17825 4501 1 14 . 1 1 57 57 SER H H 57 7.808 7.808 7.585 0.223 17825 4502 1 14 . 1 1 58 58 ASP N N 58 125.471 125.471 121.447 4.024 17825 4503 1 14 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.824 -0.021 17825 4504 1 14 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.410 -1.283 17825 4505 1 14 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.422 1.052 17825 4506 1 14 . 1 1 58 58 ASP H H 58 7.029 7.029 7.367 -0.338 17825 4507 1 14 . 1 1 59 59 LYS N N 59 125.812 125.812 123.650 2.162 17825 4508 1 14 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.901 -0.037 17825 4509 1 14 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.644 0.154 17825 4510 1 14 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.325 -0.085 17825 4511 1 14 . 1 1 59 59 LYS H H 59 8.731 8.731 8.672 0.059 17825 4512 1 14 . 1 1 60 60 HIS N N 60 116.930 116.930 117.594 -0.664 17825 4513 1 14 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.623 -0.040 17825 4514 1 14 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.113 -0.662 17825 4515 1 14 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.259 -0.086 17825 4516 1 14 . 1 1 60 60 HIS H H 60 8.066 8.066 8.161 -0.095 17825 4517 1 14 . 1 1 61 61 LYS N N 61 120.552 120.552 120.561 -0.009 17825 4518 1 14 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.123 -0.231 17825 4519 1 14 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.337 1.516 17825 4520 1 14 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.945 0.905 17825 4521 1 14 . 1 1 61 61 LYS H H 61 8.593 8.593 8.215 0.378 17825 4522 1 14 . 1 1 62 62 ARG N N 62 120.957 120.957 119.046 1.911 17825 4523 1 14 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.043 -0.333 17825 4524 1 14 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.861 0.389 17825 4525 1 14 . 1 1 62 62 ARG CB C 62 29.223 29.223 30.303 -1.080 17825 4526 1 14 . 1 1 62 62 ARG H H 62 9.265 9.265 8.296 0.969 17825 4527 1 14 . 1 1 63 63 GLU N N 63 117.661 117.661 120.045 -2.384 17825 4528 1 14 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.174 -0.021 17825 4529 1 14 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.315 -0.120 17825 4530 1 14 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.134 -0.233 17825 4531 1 14 . 1 1 63 63 GLU H H 63 7.562 7.562 8.207 -0.645 17825 4532 1 14 . 1 1 64 64 ILE N N 64 119.447 119.447 121.361 -1.914 17825 4533 1 14 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.848 -0.006 17825 4534 1 14 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.397 0.504 17825 4535 1 14 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.657 0.870 17825 4536 1 14 . 1 1 64 64 ILE H H 64 7.597 7.597 7.799 -0.202 17825 4537 1 14 . 1 1 65 65 TYR N N 65 122.673 122.673 121.203 1.470 17825 4538 1 14 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.044 0.078 17825 4539 1 14 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.420 -1.491 17825 4540 1 14 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.409 0.466 17825 4541 1 14 . 1 1 65 65 TYR H H 65 8.989 8.989 8.579 0.410 17825 4542 1 14 . 1 1 66 66 ASP N N 66 121.011 121.011 118.233 2.778 17825 4543 1 14 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.515 -0.167 17825 4544 1 14 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.543 -0.984 17825 4545 1 14 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.235 -1.644 17825 4546 1 14 . 1 1 66 66 ASP H H 66 9.331 9.331 8.323 1.008 17825 4547 1 14 . 1 1 67 67 ARG N N 67 117.684 117.684 118.009 -0.325 17825 4548 1 14 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.282 -0.197 17825 4549 1 14 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.462 -0.953 17825 4550 1 14 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.625 0.933 17825 4551 1 14 . 1 1 67 67 ARG H H 67 7.452 7.452 8.297 -0.845 17825 4552 1 14 . 1 1 68 68 TYR N N 68 115.660 115.660 120.188 -4.528 17825 4553 1 14 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.593 0.177 17825 4554 1 14 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.548 -1.117 17825 4555 1 14 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.404 1.227 17825 4556 1 14 . 1 1 68 68 TYR H H 68 8.712 8.712 8.509 0.203 17825 4557 1 14 . 1 1 69 69 GLY N N 69 109.947 109.947 108.597 1.350 17825 4558 1 14 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.355 -1.727 17825 4559 1 14 . 1 1 69 69 GLY H H 69 8.311 8.311 7.940 0.371 17825 4560 1 14 . 1 1 70 70 ARG N N 70 120.184 120.184 119.574 0.610 17825 4561 1 14 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.124 0.044 17825 4562 1 14 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.394 2.430 17825 4563 1 14 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.812 0.375 17825 4564 1 14 . 1 1 70 70 ARG H H 70 8.756 8.756 8.241 0.515 17825 4565 1 15 . 1 1 3 3 SER N N 3 115.996 115.996 111.547 4.449 17825 4566 1 15 . 1 1 3 3 SER HA H 3 4.428 4.428 3.750 0.678 17825 4567 1 15 . 1 1 3 3 SER CA C 3 56.636 56.636 59.035 -2.399 17825 4568 1 15 . 1 1 3 3 SER CB C 3 64.556 64.556 62.814 1.742 17825 4569 1 15 . 1 1 3 3 SER H H 3 8.840 8.840 7.689 1.151 17825 4570 1 15 . 1 1 4 4 TYR N N 4 119.562 119.562 120.652 -1.090 17825 4571 1 15 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.124 0.346 17825 4572 1 15 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.996 -3.032 17825 4573 1 15 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.075 0.129 17825 4574 1 15 . 1 1 4 4 TYR H H 4 8.255 8.255 7.999 0.256 17825 4575 1 15 . 1 1 5 5 TYR N N 5 114.704 114.704 114.384 0.320 17825 4576 1 15 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.119 -0.177 17825 4577 1 15 . 1 1 5 5 TYR CA C 5 61.713 61.713 58.638 3.075 17825 4578 1 15 . 1 1 5 5 TYR CB C 5 36.983 36.983 36.635 0.348 17825 4579 1 15 . 1 1 5 5 TYR H H 5 7.137 7.137 7.353 -0.216 17825 4580 1 15 . 1 1 6 6 GLU N N 6 119.884 119.884 118.048 1.836 17825 4581 1 15 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.170 0.090 17825 4582 1 15 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.410 0.069 17825 4583 1 15 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.593 0.063 17825 4584 1 15 . 1 1 6 6 GLU H H 6 7.622 7.622 7.100 0.522 17825 4585 1 15 . 1 1 7 7 ILE N N 7 120.890 120.890 115.906 4.984 17825 4586 1 15 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.995 -0.255 17825 4587 1 15 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.316 0.571 17825 4588 1 15 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.091 -0.065 17825 4589 1 15 . 1 1 7 7 ILE H H 7 8.174 8.174 7.943 0.231 17825 4590 1 15 . 1 1 8 8 LEU N N 8 115.091 115.091 119.347 -4.256 17825 4591 1 15 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.364 -0.088 17825 4592 1 15 . 1 1 8 8 LEU CA C 8 54.662 54.662 57.016 -2.354 17825 4593 1 15 . 1 1 8 8 LEU CB C 8 41.866 41.866 44.381 -2.515 17825 4594 1 15 . 1 1 8 8 LEU H H 8 7.039 7.039 7.938 -0.899 17825 4595 1 15 . 1 1 9 9 ASP N N 9 119.283 119.283 113.099 6.184 17825 4596 1 15 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.642 -0.334 17825 4597 1 15 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.573 -0.258 17825 4598 1 15 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.752 -3.246 17825 4599 1 15 . 1 1 9 9 ASP H H 9 7.997 7.997 8.232 -0.235 17825 4600 1 15 . 1 1 10 10 VAL N N 10 111.344 111.344 114.897 -3.553 17825 4601 1 15 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.656 0.300 17825 4602 1 15 . 1 1 10 10 VAL CA C 10 56.786 56.786 57.882 -1.096 17825 4603 1 15 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.343 0.323 17825 4604 1 15 . 1 1 10 10 VAL H H 10 8.115 8.115 7.720 0.395 17825 4605 1 15 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.779 -1.061 17825 4606 1 15 . 1 1 12 12 ARG N N 12 118.354 118.354 119.241 -0.887 17825 4607 1 15 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.350 0.178 17825 4608 1 15 . 1 1 12 12 ARG CA C 12 57.646 57.646 59.061 -1.415 17825 4609 1 15 . 1 1 12 12 ARG CB C 12 29.246 29.246 28.923 0.323 17825 4610 1 15 . 1 1 12 12 ARG H H 12 8.291 8.291 8.889 -0.598 17825 4611 1 15 . 1 1 13 13 SER N N 13 107.420 107.420 115.089 -7.669 17825 4612 1 15 . 1 1 13 13 SER HA H 13 4.285 4.285 4.360 -0.075 17825 4613 1 15 . 1 1 13 13 SER CA C 13 56.468 56.468 59.705 -3.237 17825 4614 1 15 . 1 1 13 13 SER CB C 13 62.713 62.713 63.286 -0.573 17825 4615 1 15 . 1 1 13 13 SER H H 13 7.181 7.181 8.003 -0.822 17825 4616 1 15 . 1 1 14 14 ALA N N 14 124.202 124.202 123.965 0.237 17825 4617 1 15 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.431 -0.105 17825 4618 1 15 . 1 1 14 14 ALA CA C 14 52.570 52.570 52.096 0.474 17825 4619 1 15 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.908 0.404 17825 4620 1 15 . 1 1 14 14 ALA H H 14 7.631 7.631 7.729 -0.098 17825 4621 1 15 . 1 1 15 15 SER N N 15 118.770 118.770 116.775 1.995 17825 4622 1 15 . 1 1 15 15 SER HA H 15 4.675 4.675 4.433 0.242 17825 4623 1 15 . 1 1 15 15 SER CA C 15 56.381 56.381 56.956 -0.575 17825 4624 1 15 . 1 1 15 15 SER CB C 15 65.323 65.323 64.343 0.980 17825 4625 1 15 . 1 1 15 15 SER H H 15 9.295 9.295 8.386 0.909 17825 4626 1 15 . 1 1 16 16 ALA N N 16 122.893 122.893 126.377 -3.484 17825 4627 1 15 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.107 0.037 17825 4628 1 15 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.154 0.139 17825 4629 1 15 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.850 -0.545 17825 4630 1 15 . 1 1 16 16 ALA H H 16 9.025 9.025 8.869 0.156 17825 4631 1 15 . 1 1 17 17 ASP N N 17 118.305 118.305 118.088 0.217 17825 4632 1 15 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.348 0.157 17825 4633 1 15 . 1 1 17 17 ASP CA C 17 57.169 57.169 58.241 -1.072 17825 4634 1 15 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.562 0.160 17825 4635 1 15 . 1 1 17 17 ASP H H 17 8.403 8.403 8.063 0.340 17825 4636 1 15 . 1 1 18 18 ASP N N 18 121.474 121.474 120.101 1.373 17825 4637 1 15 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.524 -0.115 17825 4638 1 15 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.032 0.048 17825 4639 1 15 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.954 -0.755 17825 4640 1 15 . 1 1 18 18 ASP H H 18 8.062 8.062 7.788 0.274 17825 4641 1 15 . 1 1 19 19 ILE N N 19 122.227 122.227 121.175 1.052 17825 4642 1 15 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.769 -0.116 17825 4643 1 15 . 1 1 19 19 ILE CA C 19 65.189 65.189 65.268 -0.079 17825 4644 1 15 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.136 -0.327 17825 4645 1 15 . 1 1 19 19 ILE H H 19 8.181 8.181 8.183 -0.002 17825 4646 1 15 . 1 1 20 20 LYS N N 20 120.936 120.936 119.999 0.937 17825 4647 1 15 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.894 0.307 17825 4648 1 15 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.952 0.443 17825 4649 1 15 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.489 -0.050 17825 4650 1 15 . 1 1 20 20 LYS H H 20 8.035 8.035 8.257 -0.222 17825 4651 1 15 . 1 1 21 21 LYS N N 21 118.610 118.610 119.695 -1.085 17825 4652 1 15 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.091 -0.124 17825 4653 1 15 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.256 1.450 17825 4654 1 15 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.832 0.746 17825 4655 1 15 . 1 1 21 21 LYS H H 21 8.204 8.204 8.060 0.144 17825 4656 1 15 . 1 1 22 22 ALA N N 22 122.873 122.873 123.040 -0.167 17825 4657 1 15 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.075 0.100 17825 4658 1 15 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.079 -0.284 17825 4659 1 15 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.148 1.654 17825 4660 1 15 . 1 1 22 22 ALA H H 22 8.091 8.091 8.477 -0.386 17825 4661 1 15 . 1 1 23 23 TYR N N 23 118.422 118.422 119.446 -1.024 17825 4662 1 15 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.080 -0.131 17825 4663 1 15 . 1 1 23 23 TYR CA C 23 60.450 60.450 60.996 -0.546 17825 4664 1 15 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.994 0.547 17825 4665 1 15 . 1 1 23 23 TYR H H 23 8.527 8.527 8.096 0.431 17825 4666 1 15 . 1 1 24 24 ARG N N 24 117.379 117.379 119.638 -2.259 17825 4667 1 15 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.473 -0.011 17825 4668 1 15 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.670 -0.748 17825 4669 1 15 . 1 1 24 24 ARG CB C 24 29.546 29.546 30.193 -0.647 17825 4670 1 15 . 1 1 24 24 ARG H H 24 7.878 7.878 7.818 0.060 17825 4671 1 15 . 1 1 25 25 ARG N N 25 117.097 117.097 118.587 -1.490 17825 4672 1 15 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.965 0.081 17825 4673 1 15 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.077 0.308 17825 4674 1 15 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.683 0.749 17825 4675 1 15 . 1 1 25 25 ARG H H 25 7.612 7.612 8.706 -1.094 17825 4676 1 15 . 1 1 26 26 LYS N N 26 120.499 120.499 121.250 -0.751 17825 4677 1 15 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.322 -0.115 17825 4678 1 15 . 1 1 26 26 LYS CA C 26 57.162 57.162 58.886 -1.724 17825 4679 1 15 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.517 0.598 17825 4680 1 15 . 1 1 26 26 LYS H H 26 8.460 8.460 7.673 0.787 17825 4681 1 15 . 1 1 27 27 ALA N N 27 122.515 122.515 122.430 0.085 17825 4682 1 15 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.264 -0.299 17825 4683 1 15 . 1 1 27 27 ALA CA C 27 54.642 54.642 55.012 -0.370 17825 4684 1 15 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.605 -1.308 17825 4685 1 15 . 1 1 27 27 ALA H H 27 9.009 9.009 7.843 1.166 17825 4686 1 15 . 1 1 28 28 LEU N N 28 116.108 116.108 117.083 -0.975 17825 4687 1 15 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.905 0.235 17825 4688 1 15 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.981 -1.165 17825 4689 1 15 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.681 0.174 17825 4690 1 15 . 1 1 28 28 LEU H H 28 7.149 7.149 7.594 -0.445 17825 4691 1 15 . 1 1 29 29 GLN N N 29 118.295 118.295 118.466 -0.171 17825 4692 1 15 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.767 -0.041 17825 4693 1 15 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.393 -0.199 17825 4694 1 15 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.281 -0.149 17825 4695 1 15 . 1 1 29 29 GLN H H 29 7.552 7.552 7.535 0.017 17825 4696 1 15 . 1 1 30 30 TRP N N 30 114.410 114.410 114.960 -0.550 17825 4697 1 15 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.689 0.422 17825 4698 1 15 . 1 1 30 30 TRP CA C 30 55.313 55.313 55.975 -0.662 17825 4699 1 15 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.802 0.237 17825 4700 1 15 . 1 1 30 30 TRP H H 30 7.713 7.713 7.145 0.568 17825 4701 1 15 . 1 1 31 31 HIS N N 31 121.533 121.533 121.216 0.317 17825 4702 1 15 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.626 -0.660 17825 4703 1 15 . 1 1 31 31 HIS CA C 31 56.612 56.612 56.772 -0.160 17825 4704 1 15 . 1 1 31 31 HIS CB C 31 31.108 31.108 31.811 -0.703 17825 4705 1 15 . 1 1 31 31 HIS H H 31 7.299 7.299 7.368 -0.069 17825 4706 1 15 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.219 -0.127 17825 4707 1 15 . 1 1 33 33 ASP N N 33 120.057 120.057 119.645 0.412 17825 4708 1 15 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.463 0.008 17825 4709 1 15 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.512 0.022 17825 4710 1 15 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.172 -0.341 17825 4711 1 15 . 1 1 33 33 ASP H H 33 10.765 10.765 8.383 2.382 17825 4712 1 15 . 1 1 34 34 LYS N N 34 116.570 116.570 117.029 -0.459 17825 4713 1 15 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.582 -0.134 17825 4714 1 15 . 1 1 34 34 LYS CA C 34 54.078 54.078 55.148 -1.070 17825 4715 1 15 . 1 1 34 34 LYS CB C 34 32.455 32.455 32.111 0.344 17825 4716 1 15 . 1 1 34 34 LYS H H 34 7.842 7.842 7.975 -0.133 17825 4717 1 15 . 1 1 35 35 ASN N N 35 118.970 118.970 118.996 -0.026 17825 4718 1 15 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.051 0.240 17825 4719 1 15 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.287 1.734 17825 4720 1 15 . 1 1 35 35 ASN CB C 35 42.197 42.197 40.062 2.135 17825 4721 1 15 . 1 1 35 35 ASN H H 35 7.588 7.588 7.494 0.094 17825 4722 1 15 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.716 -0.365 17825 4723 1 15 . 1 1 37 37 ASP N N 37 116.874 116.874 116.060 0.814 17825 4724 1 15 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.677 0.100 17825 4725 1 15 . 1 1 37 37 ASP CA C 37 54.037 54.037 55.034 -0.997 17825 4726 1 15 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.551 -0.739 17825 4727 1 15 . 1 1 37 37 ASP H H 37 8.521 8.521 8.569 -0.048 17825 4728 1 15 . 1 1 38 38 ASN N N 38 120.484 120.484 119.566 0.918 17825 4729 1 15 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.942 0.166 17825 4730 1 15 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.108 -1.328 17825 4731 1 15 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.937 -0.243 17825 4732 1 15 . 1 1 38 38 ASN H H 38 7.901 7.901 8.287 -0.386 17825 4733 1 15 . 1 1 39 39 LYS N N 39 121.973 121.973 122.629 -0.656 17825 4734 1 15 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.294 -0.275 17825 4735 1 15 . 1 1 39 39 LYS CA C 39 60.723 60.723 58.180 2.543 17825 4736 1 15 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.034 0.236 17825 4737 1 15 . 1 1 39 39 LYS H H 39 8.362 8.362 8.587 -0.225 17825 4738 1 15 . 1 1 40 40 GLU N N 40 119.447 119.447 122.241 -2.794 17825 4739 1 15 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.254 -0.149 17825 4740 1 15 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.519 0.293 17825 4741 1 15 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.278 -0.701 17825 4742 1 15 . 1 1 40 40 GLU H H 40 8.746 8.746 8.763 -0.017 17825 4743 1 15 . 1 1 41 41 PHE N N 41 121.498 121.498 116.630 4.868 17825 4744 1 15 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.250 -0.079 17825 4745 1 15 . 1 1 41 41 PHE CA C 41 60.572 60.572 60.037 0.535 17825 4746 1 15 . 1 1 41 41 PHE CB C 41 39.500 39.500 37.596 1.904 17825 4747 1 15 . 1 1 41 41 PHE H H 41 8.273 8.273 8.221 0.052 17825 4748 1 15 . 1 1 42 42 ALA N N 42 120.231 120.231 122.878 -2.647 17825 4749 1 15 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.323 0.788 17825 4750 1 15 . 1 1 42 42 ALA CA C 42 55.076 55.076 54.459 0.617 17825 4751 1 15 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.017 0.099 17825 4752 1 15 . 1 1 42 42 ALA H H 42 8.238 8.238 7.602 0.636 17825 4753 1 15 . 1 1 43 43 GLU N N 43 117.279 117.279 118.438 -1.159 17825 4754 1 15 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.965 0.077 17825 4755 1 15 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.060 0.692 17825 4756 1 15 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.507 -0.241 17825 4757 1 15 . 1 1 43 43 GLU H H 43 8.523 8.523 8.011 0.512 17825 4758 1 15 . 1 1 44 44 LYS N N 44 119.444 119.444 120.675 -1.231 17825 4759 1 15 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.022 -0.071 17825 4760 1 15 . 1 1 44 44 LYS CA C 44 59.450 59.450 58.960 0.490 17825 4761 1 15 . 1 1 44 44 LYS CB C 44 31.606 31.606 31.891 -0.285 17825 4762 1 15 . 1 1 44 44 LYS H H 44 7.356 7.356 8.233 -0.877 17825 4763 1 15 . 1 1 45 45 LYS N N 45 119.401 119.401 118.283 1.118 17825 4764 1 15 . 1 1 45 45 LYS HA H 45 3.600 3.600 3.975 -0.375 17825 4765 1 15 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.373 -2.100 17825 4766 1 15 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.376 -1.994 17825 4767 1 15 . 1 1 45 45 LYS H H 45 7.584 7.584 7.995 -0.411 17825 4768 1 15 . 1 1 46 46 PHE N N 46 121.408 121.408 121.511 -0.103 17825 4769 1 15 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.281 -0.350 17825 4770 1 15 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.597 -0.035 17825 4771 1 15 . 1 1 46 46 PHE CB C 46 39.016 39.016 39.048 -0.032 17825 4772 1 15 . 1 1 46 46 PHE H H 46 9.323 9.323 7.937 1.386 17825 4773 1 15 . 1 1 47 47 LYS N N 47 119.512 119.512 119.258 0.254 17825 4774 1 15 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.956 -0.043 17825 4775 1 15 . 1 1 47 47 LYS CA C 47 59.350 59.350 60.160 -0.810 17825 4776 1 15 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.270 -0.386 17825 4777 1 15 . 1 1 47 47 LYS H H 47 8.147 8.147 8.492 -0.345 17825 4778 1 15 . 1 1 48 48 GLU N N 48 119.665 119.665 118.850 0.815 17825 4779 1 15 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.135 -0.037 17825 4780 1 15 . 1 1 48 48 GLU CA C 48 58.993 58.993 58.827 0.166 17825 4781 1 15 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.367 0.220 17825 4782 1 15 . 1 1 48 48 GLU H H 48 7.540 7.540 7.930 -0.390 17825 4783 1 15 . 1 1 49 49 VAL N N 49 120.333 120.333 120.674 -0.341 17825 4784 1 15 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.870 -0.404 17825 4785 1 15 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.386 0.234 17825 4786 1 15 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.799 -0.008 17825 4787 1 15 . 1 1 49 49 VAL H H 49 7.727 7.727 7.886 -0.159 17825 4788 1 15 . 1 1 50 50 ALA N N 50 122.082 122.082 121.922 0.160 17825 4789 1 15 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.809 0.132 17825 4790 1 15 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.472 -0.375 17825 4791 1 15 . 1 1 50 50 ALA CB C 50 17.874 17.874 17.974 -0.100 17825 4792 1 15 . 1 1 50 50 ALA H H 50 8.070 8.070 7.974 0.096 17825 4793 1 15 . 1 1 51 51 GLU N N 51 119.977 119.977 118.026 1.951 17825 4794 1 15 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.945 -0.126 17825 4795 1 15 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.840 -0.149 17825 4796 1 15 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.364 0.002 17825 4797 1 15 . 1 1 51 51 GLU H H 51 7.888 7.888 8.008 -0.120 17825 4798 1 15 . 1 1 52 52 ALA N N 52 119.318 119.318 122.362 -3.044 17825 4799 1 15 . 1 1 52 52 ALA HA H 52 4.339 4.339 3.994 0.345 17825 4800 1 15 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.758 -2.122 17825 4801 1 15 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.354 0.476 17825 4802 1 15 . 1 1 52 52 ALA H H 52 7.727 7.727 7.830 -0.103 17825 4803 1 15 . 1 1 53 53 TYR N N 53 116.011 116.011 118.687 -2.676 17825 4804 1 15 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.167 -0.469 17825 4805 1 15 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.906 -0.461 17825 4806 1 15 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.175 1.218 17825 4807 1 15 . 1 1 53 53 TYR H H 53 8.245 8.245 8.682 -0.437 17825 4808 1 15 . 1 1 54 54 GLU N N 54 122.173 122.173 119.200 2.973 17825 4809 1 15 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.146 0.197 17825 4810 1 15 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.190 0.858 17825 4811 1 15 . 1 1 54 54 GLU CB C 54 28.953 28.953 28.685 0.268 17825 4812 1 15 . 1 1 54 54 GLU H H 54 8.125 8.125 7.352 0.773 17825 4813 1 15 . 1 1 55 55 VAL N N 55 115.105 115.105 119.849 -4.744 17825 4814 1 15 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.660 -0.232 17825 4815 1 15 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.325 -0.098 17825 4816 1 15 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.785 -0.009 17825 4817 1 15 . 1 1 55 55 VAL H H 55 6.790 6.790 7.639 -0.849 17825 4818 1 15 . 1 1 56 56 LEU N N 56 111.133 111.133 117.089 -5.956 17825 4819 1 15 . 1 1 56 56 LEU HA H 56 3.690 3.690 4.043 -0.353 17825 4820 1 15 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.754 -0.495 17825 4821 1 15 . 1 1 56 56 LEU CB C 56 41.662 41.662 40.928 0.734 17825 4822 1 15 . 1 1 56 56 LEU H H 56 7.737 7.737 7.510 0.227 17825 4823 1 15 . 1 1 57 57 SER N N 57 109.014 109.014 112.212 -3.198 17825 4824 1 15 . 1 1 57 57 SER HA H 57 3.960 3.960 4.276 -0.316 17825 4825 1 15 . 1 1 57 57 SER CA C 57 58.594 58.594 59.743 -1.149 17825 4826 1 15 . 1 1 57 57 SER CB C 57 63.191 63.191 63.635 -0.444 17825 4827 1 15 . 1 1 57 57 SER H H 57 7.808 7.808 7.359 0.449 17825 4828 1 15 . 1 1 58 58 ASP N N 58 125.471 125.471 120.414 5.057 17825 4829 1 15 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.692 0.111 17825 4830 1 15 . 1 1 58 58 ASP CA C 58 52.127 52.127 53.011 -0.884 17825 4831 1 15 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.840 0.634 17825 4832 1 15 . 1 1 58 58 ASP H H 58 7.029 7.029 7.152 -0.123 17825 4833 1 15 . 1 1 59 59 LYS N N 59 125.812 125.812 127.678 -1.866 17825 4834 1 15 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.940 -0.076 17825 4835 1 15 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.612 0.186 17825 4836 1 15 . 1 1 59 59 LYS CB C 59 32.240 32.240 31.579 0.661 17825 4837 1 15 . 1 1 59 59 LYS H H 59 8.731 8.731 8.776 -0.045 17825 4838 1 15 . 1 1 60 60 HIS N N 60 116.930 116.930 120.468 -3.538 17825 4839 1 15 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.717 -0.134 17825 4840 1 15 . 1 1 60 60 HIS CA C 60 58.451 58.451 58.874 -0.423 17825 4841 1 15 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.683 -0.510 17825 4842 1 15 . 1 1 60 60 HIS H H 60 8.066 8.066 7.862 0.204 17825 4843 1 15 . 1 1 61 61 LYS N N 61 120.552 120.552 119.065 1.487 17825 4844 1 15 . 1 1 61 61 LYS HA H 61 3.892 3.892 3.911 -0.019 17825 4845 1 15 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.691 1.162 17825 4846 1 15 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.513 1.337 17825 4847 1 15 . 1 1 61 61 LYS H H 61 8.593 8.593 8.632 -0.039 17825 4848 1 15 . 1 1 62 62 ARG N N 62 120.957 120.957 118.993 1.964 17825 4849 1 15 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.046 -0.336 17825 4850 1 15 . 1 1 62 62 ARG CA C 62 60.250 60.250 58.636 1.614 17825 4851 1 15 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.538 -0.315 17825 4852 1 15 . 1 1 62 62 ARG H H 62 9.265 9.265 7.629 1.636 17825 4853 1 15 . 1 1 63 63 GLU N N 63 117.661 117.661 120.051 -2.390 17825 4854 1 15 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.125 0.028 17825 4855 1 15 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.192 0.003 17825 4856 1 15 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.117 -0.216 17825 4857 1 15 . 1 1 63 63 GLU H H 63 7.562 7.562 7.705 -0.143 17825 4858 1 15 . 1 1 64 64 ILE N N 64 119.447 119.447 120.782 -1.335 17825 4859 1 15 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.739 0.103 17825 4860 1 15 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.077 0.824 17825 4861 1 15 . 1 1 64 64 ILE CB C 64 37.527 37.527 36.485 1.042 17825 4862 1 15 . 1 1 64 64 ILE H H 64 7.597 7.597 7.664 -0.067 17825 4863 1 15 . 1 1 65 65 TYR N N 65 122.673 122.673 121.295 1.378 17825 4864 1 15 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.079 0.043 17825 4865 1 15 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.359 -1.430 17825 4866 1 15 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.561 0.314 17825 4867 1 15 . 1 1 65 65 TYR H H 65 8.989 8.989 8.628 0.361 17825 4868 1 15 . 1 1 66 66 ASP N N 66 121.011 121.011 117.407 3.604 17825 4869 1 15 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.408 -0.060 17825 4870 1 15 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.650 -1.091 17825 4871 1 15 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.070 -1.479 17825 4872 1 15 . 1 1 66 66 ASP H H 66 9.331 9.331 8.020 1.311 17825 4873 1 15 . 1 1 67 67 ARG N N 67 117.684 117.684 118.477 -0.793 17825 4874 1 15 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.104 -0.019 17825 4875 1 15 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.627 -1.118 17825 4876 1 15 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.260 1.298 17825 4877 1 15 . 1 1 67 67 ARG H H 67 7.452 7.452 7.828 -0.376 17825 4878 1 15 . 1 1 68 68 TYR N N 68 115.660 115.660 119.272 -3.612 17825 4879 1 15 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.846 -0.076 17825 4880 1 15 . 1 1 68 68 TYR CA C 68 57.431 57.431 57.324 0.107 17825 4881 1 15 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.448 1.183 17825 4882 1 15 . 1 1 68 68 TYR H H 68 8.712 8.712 8.157 0.555 17825 4883 1 15 . 1 1 69 69 GLY N N 69 109.947 109.947 110.232 -0.285 17825 4884 1 15 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.107 -1.479 17825 4885 1 15 . 1 1 69 69 GLY H H 69 8.311 8.311 7.862 0.449 17825 4886 1 15 . 1 1 70 70 ARG N N 70 120.184 120.184 119.927 0.257 17825 4887 1 15 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.056 0.112 17825 4888 1 15 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.718 2.106 17825 4889 1 15 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.778 0.409 17825 4890 1 15 . 1 1 70 70 ARG H H 70 8.756 8.756 8.187 0.569 17825 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 66 3.045 0.367 3.046 17825 2 1 1 "Average Difference" HA 70 0.254 0.047 0.251 17825 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17825 4 1 1 "Average Difference" CA 65 1.120 0.414 1.049 17825 5 1 1 "Average Difference" CB 64 0.995 0.052 1.001 17825 6 1 1 "Average Difference" HN 65 0.676 -0.056 0.679 17825 7 1 2 "Average Difference" N 66 2.922 0.051 2.944 17825 8 1 2 "Average Difference" HA 70 0.320 0.044 0.319 17825 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17825 10 1 2 "Average Difference" CA 65 1.197 0.295 1.169 17825 11 1 2 "Average Difference" CB 64 0.927 -0.063 0.932 17825 12 1 2 "Average Difference" HN 65 0.609 -0.115 0.603 17825 13 1 3 "Average Difference" N 66 3.053 0.239 3.067 17825 14 1 3 "Average Difference" HA 70 0.289 0.053 0.286 17825 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17825 16 1 3 "Average Difference" CA 65 1.147 0.308 1.113 17825 17 1 3 "Average Difference" CB 64 1.135 0.043 1.143 17825 18 1 3 "Average Difference" HN 65 0.623 0.009 0.627 17825 19 1 4 "Average Difference" N 66 3.014 0.171 3.032 17825 20 1 4 "Average Difference" HA 70 0.283 0.026 0.284 17825 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17825 22 1 4 "Average Difference" CA 65 1.182 0.320 1.147 17825 23 1 4 "Average Difference" CB 64 0.872 0.011 0.879 17825 24 1 4 "Average Difference" HN 65 0.633 -0.068 0.634 17825 25 1 5 "Average Difference" N 66 3.123 0.359 3.127 17825 26 1 5 "Average Difference" HA 70 0.264 0.056 0.260 17825 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17825 28 1 5 "Average Difference" CA 65 1.278 0.403 1.223 17825 29 1 5 "Average Difference" CB 64 0.865 0.036 0.871 17825 30 1 5 "Average Difference" HN 65 0.590 0.028 0.594 17825 31 1 6 "Average Difference" N 66 2.920 0.158 2.938 17825 32 1 6 "Average Difference" HA 70 0.315 0.013 0.317 17825 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17825 34 1 6 "Average Difference" CA 65 1.155 0.319 1.119 17825 35 1 6 "Average Difference" CB 64 0.945 0.028 0.952 17825 36 1 6 "Average Difference" HN 65 0.582 -0.038 0.585 17825 37 1 7 "Average Difference" N 66 2.945 0.254 2.956 17825 38 1 7 "Average Difference" HA 70 0.311 0.035 0.311 17825 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17825 40 1 7 "Average Difference" CA 65 1.199 0.402 1.139 17825 41 1 7 "Average Difference" CB 64 1.037 -0.029 1.045 17825 42 1 7 "Average Difference" HN 65 0.605 -0.060 0.607 17825 43 1 8 "Average Difference" N 66 3.096 0.215 3.112 17825 44 1 8 "Average Difference" HA 70 0.333 0.015 0.335 17825 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17825 46 1 8 "Average Difference" CA 65 1.175 0.246 1.158 17825 47 1 8 "Average Difference" CB 64 0.928 -0.062 0.933 17825 48 1 8 "Average Difference" HN 65 0.644 -0.112 0.639 17825 49 1 9 "Average Difference" N 66 3.097 0.174 3.116 17825 50 1 9 "Average Difference" HA 70 0.265 0.026 0.265 17825 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17825 52 1 9 "Average Difference" CA 65 1.236 0.226 1.225 17825 53 1 9 "Average Difference" CB 64 0.945 -0.060 0.950 17825 54 1 9 "Average Difference" HN 65 0.617 -0.066 0.618 17825 55 1 10 "Average Difference" N 66 3.080 0.218 3.096 17825 56 1 10 "Average Difference" HA 70 0.346 0.008 0.349 17825 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17825 58 1 10 "Average Difference" CA 65 1.274 0.308 1.246 17825 59 1 10 "Average Difference" CB 64 0.964 -0.046 0.971 17825 60 1 10 "Average Difference" HN 65 0.618 -0.126 0.610 17825 61 1 11 "Average Difference" N 66 2.931 0.259 2.942 17825 62 1 11 "Average Difference" HA 70 0.332 0.007 0.334 17825 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17825 64 1 11 "Average Difference" CA 65 1.285 0.202 1.279 17825 65 1 11 "Average Difference" CB 64 0.970 -0.053 0.976 17825 66 1 11 "Average Difference" HN 65 0.656 -0.140 0.646 17825 67 1 12 "Average Difference" N 66 2.981 0.027 3.004 17825 68 1 12 "Average Difference" HA 70 0.311 0.061 0.307 17825 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17825 70 1 12 "Average Difference" CA 65 1.203 0.354 1.158 17825 71 1 12 "Average Difference" CB 64 0.977 -0.010 0.985 17825 72 1 12 "Average Difference" HN 65 0.635 -0.012 0.639 17825 73 1 13 "Average Difference" N 66 2.967 0.259 2.978 17825 74 1 13 "Average Difference" HA 70 0.294 0.036 0.294 17825 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17825 76 1 13 "Average Difference" CA 65 1.114 0.370 1.059 17825 77 1 13 "Average Difference" CB 64 0.889 -0.025 0.896 17825 78 1 13 "Average Difference" HN 65 0.550 -0.045 0.553 17825 79 1 14 "Average Difference" N 66 2.982 0.210 2.997 17825 80 1 14 "Average Difference" HA 70 0.314 0.045 0.313 17825 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17825 82 1 14 "Average Difference" CA 65 1.228 0.340 1.189 17825 83 1 14 "Average Difference" CB 64 0.933 0.024 0.940 17825 84 1 14 "Average Difference" HN 65 0.594 -0.058 0.596 17825 85 1 15 "Average Difference" N 66 2.867 0.151 2.885 17825 86 1 15 "Average Difference" HA 70 0.291 0.026 0.292 17825 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17825 88 1 15 "Average Difference" CA 65 1.228 0.280 1.205 17825 89 1 15 "Average Difference" CB 64 0.936 -0.075 0.940 17825 90 1 15 "Average Difference" HN 65 0.634 -0.134 0.624 17825 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 17825 _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 SER N N 3 115.996 115.996 114.946 1.050 17825 2 1 . 1 1 3 3 SER HA H 3 4.428 4.428 3.899 0.529 17825 3 1 . 1 1 3 3 SER CA C 3 56.636 56.636 59.356 -2.720 17825 4 1 . 1 1 3 3 SER CB C 3 64.556 64.556 62.458 2.098 17825 5 1 . 1 1 3 3 SER H H 3 8.840 8.840 8.342 0.498 17825 6 1 . 1 1 4 4 TYR N N 4 119.562 119.562 120.504 -0.942 17825 7 1 . 1 1 4 4 TYR HA H 4 4.470 4.470 4.173 0.297 17825 8 1 . 1 1 4 4 TYR CA C 4 57.964 57.964 60.673 -2.709 17825 9 1 . 1 1 4 4 TYR CB C 4 37.204 37.204 37.473 -0.269 17825 10 1 . 1 1 4 4 TYR H H 4 8.255 8.255 7.927 0.328 17825 11 1 . 1 1 5 5 TYR N N 5 114.704 114.704 117.449 -2.745 17825 12 1 . 1 1 5 5 TYR HA H 5 3.942 3.942 4.366 -0.424 17825 13 1 . 1 1 5 5 TYR CA C 5 61.713 61.713 59.954 1.759 17825 14 1 . 1 1 5 5 TYR CB C 5 36.983 36.983 37.625 -0.642 17825 15 1 . 1 1 5 5 TYR H H 5 7.137 7.137 7.912 -0.775 17825 16 1 . 1 1 6 6 GLU N N 6 119.884 119.884 117.590 2.294 17825 17 1 . 1 1 6 6 GLU HA H 6 4.260 4.260 4.112 0.148 17825 18 1 . 1 1 6 6 GLU CA C 6 58.479 58.479 58.475 0.004 17825 19 1 . 1 1 6 6 GLU CB C 6 29.656 29.656 29.635 0.021 17825 20 1 . 1 1 6 6 GLU H H 6 7.622 7.622 7.461 0.161 17825 21 1 . 1 1 7 7 ILE N N 7 120.890 120.890 115.445 5.445 17825 22 1 . 1 1 7 7 ILE HA H 7 3.740 3.740 3.969 -0.229 17825 23 1 . 1 1 7 7 ILE CA C 7 63.886 63.886 63.563 0.323 17825 24 1 . 1 1 7 7 ILE CB C 7 38.026 38.026 38.125 -0.099 17825 25 1 . 1 1 7 7 ILE H H 7 8.174 8.174 7.743 0.430 17825 26 1 . 1 1 8 8 LEU N N 8 115.091 115.091 119.081 -3.990 17825 27 1 . 1 1 8 8 LEU HA H 8 4.276 4.276 4.409 -0.133 17825 28 1 . 1 1 8 8 LEU CA C 8 54.662 54.662 56.690 -2.028 17825 29 1 . 1 1 8 8 LEU CB C 8 41.866 41.866 43.989 -2.123 17825 30 1 . 1 1 8 8 LEU H H 8 7.039 7.039 7.925 -0.886 17825 31 1 . 1 1 9 9 ASP N N 9 119.283 119.283 113.632 5.651 17825 32 1 . 1 1 9 9 ASP HA H 9 4.308 4.308 4.579 -0.271 17825 33 1 . 1 1 9 9 ASP CA C 9 54.315 54.315 54.372 -0.057 17825 34 1 . 1 1 9 9 ASP CB C 9 39.506 39.506 42.460 -2.954 17825 35 1 . 1 1 9 9 ASP H H 9 7.997 7.997 8.152 -0.155 17825 36 1 . 1 1 10 10 VAL N N 10 111.344 111.344 115.448 -4.104 17825 37 1 . 1 1 10 10 VAL HA H 10 4.956 4.956 4.680 0.276 17825 38 1 . 1 1 10 10 VAL CA C 10 56.786 56.786 58.024 -1.238 17825 39 1 . 1 1 10 10 VAL CB C 10 33.666 33.666 33.353 0.313 17825 40 1 . 1 1 10 10 VAL H H 10 8.115 8.115 7.662 0.453 17825 41 1 . 1 1 11 11 PRO HA H 11 3.718 3.718 4.884 -1.166 17825 42 1 . 1 1 12 12 ARG N N 12 118.354 118.354 118.531 -0.177 17825 43 1 . 1 1 12 12 ARG HA H 12 4.528 4.528 4.193 0.335 17825 44 1 . 1 1 12 12 ARG CA C 12 57.646 57.646 58.325 -0.679 17825 45 1 . 1 1 12 12 ARG CB C 12 29.246 29.246 29.611 -0.365 17825 46 1 . 1 1 12 12 ARG H H 12 8.291 8.291 8.720 -0.429 17825 47 1 . 1 1 13 13 SER N N 13 232.812 232.812 229.379 3.433 17825 48 1 . 1 1 13 13 SER HA H 13 8.764 8.764 8.736 0.028 17825 49 1 . 1 1 13 13 SER CA C 13 56.468 56.468 58.943 -2.475 17825 50 1 . 1 1 13 13 SER CB C 13 62.713 62.713 63.069 -0.356 17825 51 1 . 1 1 13 13 SER H H 13 7.181 7.181 8.049 -0.868 17825 52 1 . 1 1 14 14 ALA N N 14 124.202 124.202 124.975 -0.773 17825 53 1 . 1 1 14 14 ALA HA H 14 4.326 4.326 4.402 -0.076 17825 54 1 . 1 1 14 14 ALA CA C 14 52.570 52.570 51.933 0.637 17825 55 1 . 1 1 14 14 ALA CB C 14 20.312 20.312 19.919 0.394 17825 56 1 . 1 1 14 14 ALA H H 14 7.631 7.631 7.468 0.163 17825 57 1 . 1 1 15 15 SER N N 15 118.770 118.770 117.218 1.552 17825 58 1 . 1 1 15 15 SER HA H 15 4.675 4.675 4.369 0.306 17825 59 1 . 1 1 15 15 SER CA C 15 56.381 56.381 57.412 -1.031 17825 60 1 . 1 1 15 15 SER CB C 15 65.323 65.323 64.275 1.048 17825 61 1 . 1 1 15 15 SER H H 15 9.295 9.295 8.337 0.958 17825 62 1 . 1 1 16 16 ALA N N 16 122.893 122.893 126.537 -3.644 17825 63 1 . 1 1 16 16 ALA HA H 16 4.144 4.144 4.057 0.087 17825 64 1 . 1 1 16 16 ALA CA C 16 55.293 55.293 55.266 0.027 17825 65 1 . 1 1 16 16 ALA CB C 16 18.305 18.305 18.615 -0.310 17825 66 1 . 1 1 16 16 ALA H H 16 9.025 9.025 8.836 0.189 17825 67 1 . 1 1 17 17 ASP N N 17 118.305 118.305 117.551 0.754 17825 68 1 . 1 1 17 17 ASP HA H 17 4.505 4.505 4.363 0.142 17825 69 1 . 1 1 17 17 ASP CA C 17 57.169 57.169 57.803 -0.634 17825 70 1 . 1 1 17 17 ASP CB C 17 40.722 40.722 40.446 0.276 17825 71 1 . 1 1 17 17 ASP H H 17 8.403 8.403 8.424 -0.021 17825 72 1 . 1 1 18 18 ASP N N 18 121.474 121.474 120.681 0.793 17825 73 1 . 1 1 18 18 ASP HA H 18 4.409 4.409 4.457 -0.048 17825 74 1 . 1 1 18 18 ASP CA C 18 57.080 57.080 57.123 -0.043 17825 75 1 . 1 1 18 18 ASP CB C 18 40.199 40.199 40.823 -0.624 17825 76 1 . 1 1 18 18 ASP H H 18 8.062 8.062 7.798 0.264 17825 77 1 . 1 1 19 19 ILE N N 19 122.227 122.227 120.813 1.414 17825 78 1 . 1 1 19 19 ILE HA H 19 3.653 3.653 3.733 -0.080 17825 79 1 . 1 1 19 19 ILE CA C 19 65.189 65.189 64.944 0.245 17825 80 1 . 1 1 19 19 ILE CB C 19 37.809 37.809 38.021 -0.212 17825 81 1 . 1 1 19 19 ILE H H 19 8.181 8.181 7.893 0.288 17825 82 1 . 1 1 20 20 LYS N N 20 120.936 120.936 120.195 0.741 17825 83 1 . 1 1 20 20 LYS HA H 20 4.201 4.201 3.820 0.381 17825 84 1 . 1 1 20 20 LYS CA C 20 60.395 60.395 59.847 0.548 17825 85 1 . 1 1 20 20 LYS CB C 20 32.439 32.439 32.151 0.288 17825 86 1 . 1 1 20 20 LYS H H 20 8.035 8.035 8.228 -0.193 17825 87 1 . 1 1 21 21 LYS N N 21 118.610 118.610 119.203 -0.593 17825 88 1 . 1 1 21 21 LYS HA H 21 3.967 3.967 4.044 -0.077 17825 89 1 . 1 1 21 21 LYS CA C 21 59.706 59.706 58.585 1.121 17825 90 1 . 1 1 21 21 LYS CB C 21 32.578 32.578 31.993 0.585 17825 91 1 . 1 1 21 21 LYS H H 21 8.204 8.204 7.995 0.209 17825 92 1 . 1 1 22 22 ALA N N 22 122.873 122.873 122.665 0.208 17825 93 1 . 1 1 22 22 ALA HA H 22 4.175 4.175 4.063 0.112 17825 94 1 . 1 1 22 22 ALA CA C 22 54.795 54.795 55.091 -0.296 17825 95 1 . 1 1 22 22 ALA CB C 22 19.802 19.802 18.244 1.558 17825 96 1 . 1 1 22 22 ALA H H 22 8.091 8.091 8.244 -0.153 17825 97 1 . 1 1 23 23 TYR N N 23 118.422 118.422 119.512 -1.090 17825 98 1 . 1 1 23 23 TYR HA H 23 3.949 3.949 4.056 -0.107 17825 99 1 . 1 1 23 23 TYR CA C 23 60.450 60.450 60.900 -0.450 17825 100 1 . 1 1 23 23 TYR CB C 23 38.541 38.541 37.882 0.659 17825 101 1 . 1 1 23 23 TYR H H 23 8.527 8.527 8.265 0.262 17825 102 1 . 1 1 24 24 ARG N N 24 117.379 117.379 119.293 -1.914 17825 103 1 . 1 1 24 24 ARG HA H 24 3.462 3.462 3.462 0.000 17825 104 1 . 1 1 24 24 ARG CA C 24 58.922 58.922 59.666 -0.744 17825 105 1 . 1 1 24 24 ARG CB C 24 29.546 29.546 29.969 -0.423 17825 106 1 . 1 1 24 24 ARG H H 24 7.878 7.878 8.019 -0.141 17825 107 1 . 1 1 25 25 ARG N N 25 117.097 117.097 119.195 -2.098 17825 108 1 . 1 1 25 25 ARG HA H 25 4.046 4.046 3.985 0.061 17825 109 1 . 1 1 25 25 ARG CA C 25 59.385 59.385 59.216 0.169 17825 110 1 . 1 1 25 25 ARG CB C 25 30.432 30.432 29.776 0.656 17825 111 1 . 1 1 25 25 ARG H H 25 7.612 7.612 8.426 -0.814 17825 112 1 . 1 1 26 26 LYS N N 26 120.499 120.499 120.298 0.201 17825 113 1 . 1 1 26 26 LYS HA H 26 4.207 4.207 4.121 0.086 17825 114 1 . 1 1 26 26 LYS CA C 26 57.162 57.162 59.084 -1.922 17825 115 1 . 1 1 26 26 LYS CB C 26 33.115 33.115 32.416 0.699 17825 116 1 . 1 1 26 26 LYS H H 26 8.460 8.460 7.836 0.624 17825 117 1 . 1 1 27 27 ALA N N 27 122.515 122.515 122.294 0.221 17825 118 1 . 1 1 27 27 ALA HA H 27 3.965 3.965 4.101 -0.136 17825 119 1 . 1 1 27 27 ALA CA C 27 54.642 54.642 54.842 -0.200 17825 120 1 . 1 1 27 27 ALA CB C 27 17.297 17.297 18.389 -1.092 17825 121 1 . 1 1 27 27 ALA H H 27 9.009 9.009 7.948 1.061 17825 122 1 . 1 1 28 28 LEU N N 28 116.108 116.108 117.877 -1.769 17825 123 1 . 1 1 28 28 LEU HA H 28 4.140 4.140 3.969 0.171 17825 124 1 . 1 1 28 28 LEU CA C 28 56.816 56.816 57.519 -0.703 17825 125 1 . 1 1 28 28 LEU CB C 28 41.855 41.855 41.597 0.258 17825 126 1 . 1 1 28 28 LEU H H 28 7.149 7.149 7.807 -0.658 17825 127 1 . 1 1 29 29 GLN N N 29 118.295 118.295 119.064 -0.769 17825 128 1 . 1 1 29 29 GLN HA H 29 3.726 3.726 3.915 -0.189 17825 129 1 . 1 1 29 29 GLN CA C 29 58.194 58.194 58.518 -0.324 17825 130 1 . 1 1 29 29 GLN CB C 29 28.132 28.132 28.674 -0.542 17825 131 1 . 1 1 29 29 GLN H H 29 7.552 7.552 7.799 -0.247 17825 132 1 . 1 1 30 30 TRP N N 30 114.410 114.410 115.283 -0.873 17825 133 1 . 1 1 30 30 TRP HA H 30 5.111 5.111 4.773 0.338 17825 134 1 . 1 1 30 30 TRP CA C 30 55.313 55.313 56.145 -0.832 17825 135 1 . 1 1 30 30 TRP CB C 30 30.039 30.039 29.770 0.269 17825 136 1 . 1 1 30 30 TRP H H 30 7.713 7.713 7.344 0.369 17825 137 1 . 1 1 31 31 HIS N N 31 121.533 121.533 121.097 0.436 17825 138 1 . 1 1 31 31 HIS HA H 31 3.966 3.966 4.647 -0.681 17825 139 1 . 1 1 31 31 HIS CA C 31 56.612 56.612 55.967 0.645 17825 140 1 . 1 1 31 31 HIS CB C 31 31.108 31.108 31.627 -0.519 17825 141 1 . 1 1 31 31 HIS H H 31 7.299 7.299 7.354 -0.055 17825 142 1 . 1 1 32 32 PRO HA H 32 4.092 4.092 4.323 -0.231 17825 143 1 . 1 1 33 33 ASP N N 33 120.057 120.057 117.695 2.362 17825 144 1 . 1 1 33 33 ASP HA H 33 4.471 4.471 4.470 0.001 17825 145 1 . 1 1 33 33 ASP CA C 33 56.534 56.534 56.203 0.331 17825 146 1 . 1 1 33 33 ASP CB C 33 39.831 39.831 40.397 -0.566 17825 147 1 . 1 1 33 33 ASP H H 33 10.765 10.765 8.391 2.374 17825 148 1 . 1 1 34 34 LYS N N 34 116.570 116.570 117.458 -0.888 17825 149 1 . 1 1 34 34 LYS HA H 34 4.448 4.448 4.492 -0.044 17825 150 1 . 1 1 34 34 LYS CA C 34 54.078 54.078 55.277 -1.199 17825 151 1 . 1 1 34 34 LYS CB C 34 32.455 32.455 33.298 -0.843 17825 152 1 . 1 1 34 34 LYS H H 34 7.842 7.842 8.002 -0.160 17825 153 1 . 1 1 35 35 ASN N N 35 118.970 118.970 119.236 -0.266 17825 154 1 . 1 1 35 35 ASN HA H 35 5.291 5.291 5.004 0.287 17825 155 1 . 1 1 35 35 ASN CA C 35 52.021 52.021 50.629 1.392 17825 156 1 . 1 1 35 35 ASN CB C 35 42.197 42.197 39.685 2.512 17825 157 1 . 1 1 35 35 ASN H H 35 7.588 7.588 7.684 -0.096 17825 158 1 . 1 1 36 36 PRO HA H 36 4.351 4.351 4.614 -0.263 17825 159 1 . 1 1 37 37 ASP N N 37 116.874 116.874 116.262 0.612 17825 160 1 . 1 1 37 37 ASP HA H 37 4.777 4.777 4.650 0.127 17825 161 1 . 1 1 37 37 ASP CA C 37 54.037 54.037 54.778 -0.741 17825 162 1 . 1 1 37 37 ASP CB C 37 40.812 40.812 41.195 -0.383 17825 163 1 . 1 1 37 37 ASP H H 37 8.521 8.521 8.496 0.025 17825 164 1 . 1 1 38 38 ASN N N 38 120.484 120.484 118.885 1.599 17825 165 1 . 1 1 38 38 ASN HA H 38 5.108 5.108 4.931 0.177 17825 166 1 . 1 1 38 38 ASN CA C 38 51.780 51.780 53.055 -1.275 17825 167 1 . 1 1 38 38 ASN CB C 38 38.694 38.694 38.867 -0.173 17825 168 1 . 1 1 38 38 ASN H H 38 7.901 7.901 8.268 -0.367 17825 169 1 . 1 1 39 39 LYS N N 39 121.973 121.973 123.384 -1.411 17825 170 1 . 1 1 39 39 LYS HA H 39 4.019 4.019 4.447 -0.428 17825 171 1 . 1 1 39 39 LYS CA C 39 60.723 60.723 57.735 2.988 17825 172 1 . 1 1 39 39 LYS CB C 39 33.270 33.270 33.014 0.256 17825 173 1 . 1 1 39 39 LYS H H 39 8.362 8.362 8.504 -0.142 17825 174 1 . 1 1 40 40 GLU N N 40 119.447 119.447 121.961 -2.514 17825 175 1 . 1 1 40 40 GLU HA H 40 4.105 4.105 4.084 0.021 17825 176 1 . 1 1 40 40 GLU CA C 40 59.812 59.812 59.584 0.228 17825 177 1 . 1 1 40 40 GLU CB C 40 28.577 28.577 29.110 -0.533 17825 178 1 . 1 1 40 40 GLU H H 40 8.746 8.746 8.633 0.113 17825 179 1 . 1 1 41 41 PHE N N 41 121.498 121.498 116.788 4.710 17825 180 1 . 1 1 41 41 PHE HA H 41 4.171 4.171 4.193 -0.022 17825 181 1 . 1 1 41 41 PHE CA C 41 60.572 60.572 60.718 -0.146 17825 182 1 . 1 1 41 41 PHE CB C 41 39.500 39.500 38.122 1.379 17825 183 1 . 1 1 41 41 PHE H H 41 8.273 8.273 8.201 0.072 17825 184 1 . 1 1 42 42 ALA N N 42 120.231 120.231 122.404 -2.173 17825 185 1 . 1 1 42 42 ALA HA H 42 4.111 4.111 3.858 0.253 17825 186 1 . 1 1 42 42 ALA CA C 42 55.076 55.076 55.186 -0.110 17825 187 1 . 1 1 42 42 ALA CB C 42 18.116 18.116 18.387 -0.271 17825 188 1 . 1 1 42 42 ALA H H 42 8.238 8.238 7.960 0.278 17825 189 1 . 1 1 43 43 GLU N N 43 117.279 117.279 117.762 -0.483 17825 190 1 . 1 1 43 43 GLU HA H 43 4.042 4.042 3.998 0.044 17825 191 1 . 1 1 43 43 GLU CA C 43 59.752 59.752 59.055 0.697 17825 192 1 . 1 1 43 43 GLU CB C 43 29.266 29.266 29.218 0.048 17825 193 1 . 1 1 43 43 GLU H H 43 8.523 8.523 8.464 0.059 17825 194 1 . 1 1 44 44 LYS N N 44 119.444 119.444 120.452 -1.008 17825 195 1 . 1 1 44 44 LYS HA H 44 3.951 3.951 4.019 -0.068 17825 196 1 . 1 1 44 44 LYS CA C 44 59.450 59.450 59.222 0.228 17825 197 1 . 1 1 44 44 LYS CB C 44 31.606 31.606 32.160 -0.554 17825 198 1 . 1 1 44 44 LYS H H 44 7.356 7.356 7.932 -0.576 17825 199 1 . 1 1 45 45 LYS N N 45 119.401 119.401 119.073 0.328 17825 200 1 . 1 1 45 45 LYS HA H 45 3.600 3.600 4.058 -0.458 17825 201 1 . 1 1 45 45 LYS CA C 45 56.273 56.273 58.191 -1.918 17825 202 1 . 1 1 45 45 LYS CB C 45 29.382 29.382 31.488 -2.106 17825 203 1 . 1 1 45 45 LYS H H 45 7.584 7.584 8.058 -0.474 17825 204 1 . 1 1 46 46 PHE N N 46 121.408 121.408 121.535 -0.127 17825 205 1 . 1 1 46 46 PHE HA H 46 3.931 3.931 4.122 -0.191 17825 206 1 . 1 1 46 46 PHE CA C 46 61.562 61.562 61.585 -0.023 17825 207 1 . 1 1 46 46 PHE CB C 46 39.016 39.016 38.977 0.039 17825 208 1 . 1 1 46 46 PHE H H 46 9.323 9.323 8.250 1.073 17825 209 1 . 1 1 47 47 LYS N N 47 119.512 119.512 119.299 0.213 17825 210 1 . 1 1 47 47 LYS HA H 47 3.913 3.913 3.900 0.013 17825 211 1 . 1 1 47 47 LYS CA C 47 59.350 59.350 59.672 -0.322 17825 212 1 . 1 1 47 47 LYS CB C 47 31.885 31.885 32.124 -0.239 17825 213 1 . 1 1 47 47 LYS H H 47 8.147 8.147 8.305 -0.158 17825 214 1 . 1 1 48 48 GLU N N 48 119.665 119.665 119.484 0.181 17825 215 1 . 1 1 48 48 GLU HA H 48 4.098 4.098 4.114 -0.016 17825 216 1 . 1 1 48 48 GLU CA C 48 58.993 58.993 59.188 -0.195 17825 217 1 . 1 1 48 48 GLU CB C 48 29.588 29.588 29.545 0.043 17825 218 1 . 1 1 48 48 GLU H H 48 7.540 7.540 8.078 -0.538 17825 219 1 . 1 1 49 49 VAL N N 49 120.333 120.333 120.380 -0.047 17825 220 1 . 1 1 49 49 VAL HA H 49 3.466 3.466 3.804 -0.338 17825 221 1 . 1 1 49 49 VAL CA C 49 65.620 65.620 65.598 0.022 17825 222 1 . 1 1 49 49 VAL CB C 49 31.791 31.791 31.827 -0.036 17825 223 1 . 1 1 49 49 VAL H H 49 7.727 7.727 8.072 -0.345 17825 224 1 . 1 1 50 50 ALA N N 50 122.082 122.082 121.959 0.123 17825 225 1 . 1 1 50 50 ALA HA H 50 3.941 3.941 3.935 0.006 17825 226 1 . 1 1 50 50 ALA CA C 50 55.097 55.097 55.468 -0.371 17825 227 1 . 1 1 50 50 ALA CB C 50 17.874 17.874 18.025 -0.151 17825 228 1 . 1 1 50 50 ALA H H 50 8.070 8.070 7.877 0.193 17825 229 1 . 1 1 51 51 GLU N N 51 119.977 119.977 118.050 1.927 17825 230 1 . 1 1 51 51 GLU HA H 51 3.819 3.819 3.986 -0.167 17825 231 1 . 1 1 51 51 GLU CA C 51 58.691 58.691 58.793 -0.102 17825 232 1 . 1 1 51 51 GLU CB C 51 29.366 29.366 29.440 -0.074 17825 233 1 . 1 1 51 51 GLU H H 51 7.888 7.888 8.045 -0.157 17825 234 1 . 1 1 52 52 ALA N N 52 119.318 119.318 122.210 -2.892 17825 235 1 . 1 1 52 52 ALA HA H 52 4.339 4.339 4.056 0.283 17825 236 1 . 1 1 52 52 ALA CA C 52 52.636 52.636 54.675 -2.039 17825 237 1 . 1 1 52 52 ALA CB C 52 18.830 18.830 18.398 0.432 17825 238 1 . 1 1 52 52 ALA H H 52 7.727 7.727 7.985 -0.258 17825 239 1 . 1 1 53 53 TYR N N 53 116.011 116.011 119.222 -3.211 17825 240 1 . 1 1 53 53 TYR HA H 53 3.698 3.698 4.117 -0.419 17825 241 1 . 1 1 53 53 TYR CA C 53 60.445 60.445 60.840 -0.395 17825 242 1 . 1 1 53 53 TYR CB C 53 39.394 39.394 38.243 1.151 17825 243 1 . 1 1 53 53 TYR H H 53 8.245 8.245 8.717 -0.472 17825 244 1 . 1 1 54 54 GLU N N 54 122.173 122.173 119.791 2.382 17825 245 1 . 1 1 54 54 GLU HA H 54 3.343 3.343 3.312 0.031 17825 246 1 . 1 1 54 54 GLU CA C 54 59.048 59.048 58.831 0.217 17825 247 1 . 1 1 54 54 GLU CB C 54 28.953 28.953 29.007 -0.054 17825 248 1 . 1 1 54 54 GLU H H 54 8.125 8.125 7.505 0.620 17825 249 1 . 1 1 55 55 VAL N N 55 115.105 115.105 118.998 -3.893 17825 250 1 . 1 1 55 55 VAL HA H 55 3.428 3.428 3.671 -0.243 17825 251 1 . 1 1 55 55 VAL CA C 55 65.227 65.227 65.375 -0.148 17825 252 1 . 1 1 55 55 VAL CB C 55 31.776 31.776 31.736 0.040 17825 253 1 . 1 1 55 55 VAL H H 55 6.790 6.790 7.612 -0.822 17825 254 1 . 1 1 56 56 LEU N N 56 111.133 111.133 118.191 -7.058 17825 255 1 . 1 1 56 56 LEU HA H 56 3.690 3.690 3.908 -0.218 17825 256 1 . 1 1 56 56 LEU CA C 56 56.259 56.259 56.823 -0.564 17825 257 1 . 1 1 56 56 LEU CB C 56 41.662 41.662 41.431 0.231 17825 258 1 . 1 1 56 56 LEU H H 56 7.737 7.737 7.721 0.016 17825 259 1 . 1 1 57 57 SER N N 57 109.014 109.014 112.318 -3.304 17825 260 1 . 1 1 57 57 SER HA H 57 3.960 3.960 4.285 -0.325 17825 261 1 . 1 1 57 57 SER CA C 57 58.594 58.594 60.099 -1.505 17825 262 1 . 1 1 57 57 SER CB C 57 63.191 63.191 63.602 -0.411 17825 263 1 . 1 1 57 57 SER H H 57 7.808 7.808 7.625 0.183 17825 264 1 . 1 1 58 58 ASP N N 58 125.471 125.471 120.403 5.068 17825 265 1 . 1 1 58 58 ASP HA H 58 4.803 4.803 4.750 0.053 17825 266 1 . 1 1 58 58 ASP CA C 58 52.127 52.127 52.984 -0.857 17825 267 1 . 1 1 58 58 ASP CB C 58 43.474 43.474 42.859 0.615 17825 268 1 . 1 1 58 58 ASP H H 58 7.029 7.029 7.299 -0.270 17825 269 1 . 1 1 59 59 LYS N N 59 125.812 125.812 126.711 -0.899 17825 270 1 . 1 1 59 59 LYS HA H 59 3.864 3.864 3.959 -0.095 17825 271 1 . 1 1 59 59 LYS CA C 59 59.798 59.798 59.333 0.465 17825 272 1 . 1 1 59 59 LYS CB C 59 32.240 32.240 32.021 0.219 17825 273 1 . 1 1 59 59 LYS H H 59 8.731 8.731 8.791 -0.060 17825 274 1 . 1 1 60 60 HIS N N 60 116.930 116.930 119.110 -2.180 17825 275 1 . 1 1 60 60 HIS HA H 60 4.583 4.583 4.648 -0.065 17825 276 1 . 1 1 60 60 HIS CA C 60 58.451 58.451 59.222 -0.771 17825 277 1 . 1 1 60 60 HIS CB C 60 29.173 29.173 29.613 -0.440 17825 278 1 . 1 1 60 60 HIS H H 60 8.066 8.066 7.920 0.146 17825 279 1 . 1 1 61 61 LYS N N 61 120.552 120.552 119.754 0.798 17825 280 1 . 1 1 61 61 LYS HA H 61 3.892 3.892 4.032 -0.140 17825 281 1 . 1 1 61 61 LYS CA C 61 59.853 59.853 58.922 0.931 17825 282 1 . 1 1 61 61 LYS CB C 61 32.850 32.850 31.946 0.903 17825 283 1 . 1 1 61 61 LYS H H 61 8.593 8.593 8.533 0.060 17825 284 1 . 1 1 62 62 ARG N N 62 120.957 120.957 118.883 2.074 17825 285 1 . 1 1 62 62 ARG HA H 62 3.710 3.710 4.058 -0.348 17825 286 1 . 1 1 62 62 ARG CA C 62 60.250 60.250 59.399 0.850 17825 287 1 . 1 1 62 62 ARG CB C 62 29.223 29.223 29.895 -0.672 17825 288 1 . 1 1 62 62 ARG H H 62 9.265 9.265 8.120 1.145 17825 289 1 . 1 1 63 63 GLU N N 63 117.661 117.661 119.783 -2.122 17825 290 1 . 1 1 63 63 GLU HA H 63 4.153 4.153 4.137 0.016 17825 291 1 . 1 1 63 63 GLU CA C 63 59.195 59.195 59.144 0.051 17825 292 1 . 1 1 63 63 GLU CB C 63 28.901 28.901 29.257 -0.356 17825 293 1 . 1 1 63 63 GLU H H 63 7.562 7.562 7.839 -0.277 17825 294 1 . 1 1 64 64 ILE N N 64 119.447 119.447 120.853 -1.406 17825 295 1 . 1 1 64 64 ILE HA H 64 3.842 3.842 3.789 0.053 17825 296 1 . 1 1 64 64 ILE CA C 64 63.901 63.901 63.574 0.327 17825 297 1 . 1 1 64 64 ILE CB C 64 37.527 37.527 37.019 0.508 17825 298 1 . 1 1 64 64 ILE H H 64 7.597 7.597 7.908 -0.311 17825 299 1 . 1 1 65 65 TYR N N 65 122.673 122.673 121.002 1.671 17825 300 1 . 1 1 65 65 TYR HA H 65 4.122 4.122 4.043 0.079 17825 301 1 . 1 1 65 65 TYR CA C 65 60.929 60.929 62.107 -1.178 17825 302 1 . 1 1 65 65 TYR CB C 65 38.875 38.875 38.441 0.434 17825 303 1 . 1 1 65 65 TYR H H 65 8.989 8.989 8.575 0.414 17825 304 1 . 1 1 66 66 ASP N N 66 121.011 121.011 118.303 2.708 17825 305 1 . 1 1 66 66 ASP HA H 66 4.348 4.348 4.340 0.008 17825 306 1 . 1 1 66 66 ASP CA C 66 56.559 56.559 57.469 -0.910 17825 307 1 . 1 1 66 66 ASP CB C 66 39.591 39.591 41.181 -1.589 17825 308 1 . 1 1 66 66 ASP H H 66 9.331 9.331 8.030 1.301 17825 309 1 . 1 1 67 67 ARG N N 67 117.684 117.684 118.061 -0.377 17825 310 1 . 1 1 67 67 ARG HA H 67 4.085 4.085 4.211 -0.126 17825 311 1 . 1 1 67 67 ARG CA C 67 57.509 57.509 58.507 -0.997 17825 312 1 . 1 1 67 67 ARG CB C 67 31.558 31.558 30.466 1.092 17825 313 1 . 1 1 67 67 ARG H H 67 7.452 7.452 8.027 -0.575 17825 314 1 . 1 1 68 68 TYR N N 68 115.660 115.660 120.269 -4.609 17825 315 1 . 1 1 68 68 TYR HA H 68 4.770 4.770 4.611 0.159 17825 316 1 . 1 1 68 68 TYR CA C 68 57.431 57.431 58.401 -0.970 17825 317 1 . 1 1 68 68 TYR CB C 68 40.631 40.631 39.086 1.545 17825 318 1 . 1 1 68 68 TYR H H 68 8.712 8.712 8.460 0.252 17825 319 1 . 1 1 69 69 GLY N N 69 109.947 109.947 108.743 1.204 17825 320 1 . 1 1 69 69 GLY CA C 69 44.628 44.628 46.183 -1.555 17825 321 1 . 1 1 69 69 GLY H H 69 8.311 8.311 7.836 0.475 17825 322 1 . 1 1 70 70 ARG N N 70 120.184 120.184 119.691 0.493 17825 323 1 . 1 1 70 70 ARG HA H 70 4.168 4.168 4.121 0.047 17825 324 1 . 1 1 70 70 ARG CA C 70 58.824 58.824 56.393 2.431 17825 325 1 . 1 1 70 70 ARG CB C 70 30.187 30.187 29.805 0.382 17825 326 1 . 1 1 70 70 ARG H H 70 8.756 8.756 8.052 0.704 17825 stop_ save_