data_25086 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25086 _Entry.PDB_ID 2MRN 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 25086 _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 -15 -15 HIS HA H -15 4.607 4.607 4.887 -0.280 25086 2 1 1 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.987 -0.182 25086 3 1 1 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.741 0.357 25086 4 1 1 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 31.806 -1.426 25086 5 1 1 . 1 1 -14 -14 LYS N N -14 122.750 122.750 124.570 -1.820 25086 6 1 1 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.720 -0.477 25086 7 1 1 . 1 1 -14 -14 LYS C C -14 176.150 176.150 177.349 -1.199 25086 8 1 1 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.935 0.413 25086 9 1 1 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.087 0.899 25086 10 1 1 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.836 -0.482 25086 11 1 1 . 1 1 -13 -13 VAL N N -13 121.546 121.546 116.953 4.593 25086 12 1 1 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.918 0.060 25086 13 1 1 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.613 -1.002 25086 14 1 1 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 63.938 -1.790 25086 15 1 1 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.657 1.158 25086 16 1 1 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.586 0.512 25086 17 1 1 . 1 1 -12 -12 HIS N N -12 123.329 123.329 118.173 5.156 25086 18 1 1 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 57.767 -2.241 25086 19 1 1 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 30.011 0.429 25086 20 1 1 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.444 -0.006 25086 21 1 1 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.742 -0.136 25086 22 1 1 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.519 0.195 25086 23 1 1 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.513 0.468 25086 24 1 1 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.099 -0.195 25086 25 1 1 . 1 1 -6 -6 MET N N -6 122.431 122.431 126.438 -4.007 25086 26 1 1 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.597 -0.144 25086 27 1 1 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.142 0.949 25086 28 1 1 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.380 0.278 25086 29 1 1 . 1 1 -6 -6 MET CB C -6 32.952 32.952 32.332 0.620 25086 30 1 1 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.688 -0.168 25086 31 1 1 . 1 1 -5 -5 SER N N -5 116.616 116.616 122.493 -5.877 25086 32 1 1 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.776 -0.332 25086 33 1 1 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.091 0.371 25086 34 1 1 . 1 1 -5 -5 SER CA C -5 58.379 58.379 57.310 1.069 25086 35 1 1 . 1 1 -5 -5 SER CB C -5 63.989 63.989 65.547 -1.558 25086 36 1 1 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.564 -0.154 25086 37 1 1 . 1 1 -4 -4 ASP N N -4 122.320 122.320 126.492 -4.172 25086 38 1 1 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.383 0.219 25086 39 1 1 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.309 -1.111 25086 40 1 1 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 57.102 -2.322 25086 41 1 1 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.720 0.397 25086 42 1 1 . 1 1 -4 -4 ASP H H -4 8.429 8.429 9.005 -0.576 25086 43 1 1 . 1 1 -3 -3 ASP N N -3 119.793 119.793 117.864 1.929 25086 44 1 1 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.463 0.101 25086 45 1 1 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.391 -1.145 25086 46 1 1 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.024 -1.295 25086 47 1 1 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.145 0.049 25086 48 1 1 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.115 0.091 25086 49 1 1 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.098 2.172 25086 50 1 1 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.435 0.132 25086 51 1 1 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.433 -0.380 25086 52 1 1 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.407 -0.670 25086 53 1 1 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.115 0.129 25086 54 1 1 . 1 1 -2 -2 ASP H H -2 8.170 8.170 8.044 0.126 25086 55 1 1 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.305 -0.026 25086 56 1 1 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.567 0.023 25086 57 1 1 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.124 0.182 25086 58 1 1 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.782 -0.367 25086 59 1 1 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.263 -0.159 25086 60 1 1 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.925 0.300 25086 61 1 1 . 1 1 0 0 LYS N N 0 121.408 121.408 129.453 -8.045 25086 62 1 1 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.577 -0.192 25086 63 1 1 . 1 1 0 0 LYS C C 0 177.017 177.017 176.617 0.400 25086 64 1 1 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.555 0.542 25086 65 1 1 . 1 1 0 0 LYS CB C 0 32.969 32.969 31.843 1.126 25086 66 1 1 . 1 1 0 0 LYS H H 0 8.251 8.251 8.451 -0.200 25086 67 1 1 . 1 1 1 1 GLY N N 1 109.054 109.054 112.440 -3.386 25086 68 1 1 . 1 1 1 1 GLY C C 1 173.630 173.630 174.465 -0.835 25086 69 1 1 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.566 0.718 25086 70 1 1 . 1 1 1 1 GLY H H 1 8.370 8.370 7.925 0.445 25086 71 1 1 . 1 1 2 2 ILE N N 2 120.862 120.862 122.737 -1.875 25086 72 1 1 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.279 0.018 25086 73 1 1 . 1 1 2 2 ILE C C 2 175.993 175.993 175.434 0.559 25086 74 1 1 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.163 -0.331 25086 75 1 1 . 1 1 2 2 ILE CB C 2 39.733 39.733 37.768 1.965 25086 76 1 1 . 1 1 2 2 ILE H H 2 8.579 8.579 8.001 0.578 25086 77 1 1 . 1 1 3 3 HIS N N 3 124.483 124.483 126.831 -2.348 25086 78 1 1 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.781 0.453 25086 79 1 1 . 1 1 3 3 HIS C C 3 174.751 174.751 174.626 0.125 25086 80 1 1 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.438 -1.153 25086 81 1 1 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.685 -0.609 25086 82 1 1 . 1 1 3 3 HIS H H 3 8.920 8.920 8.916 0.004 25086 83 1 1 . 1 1 4 4 SER N N 4 117.417 117.417 118.297 -0.880 25086 84 1 1 . 1 1 4 4 SER HA H 4 4.712 4.712 4.713 -0.001 25086 85 1 1 . 1 1 4 4 SER C C 4 174.112 174.112 173.022 1.090 25086 86 1 1 . 1 1 4 4 SER CA C 4 56.102 56.102 57.743 -1.641 25086 87 1 1 . 1 1 4 4 SER CB C 4 64.679 64.679 65.389 -0.710 25086 88 1 1 . 1 1 4 4 SER H H 4 8.925 8.925 8.715 0.210 25086 89 1 1 . 1 1 5 5 SER N N 5 114.372 114.372 116.614 -2.242 25086 90 1 1 . 1 1 5 5 SER HA H 5 5.390 5.390 4.536 0.854 25086 91 1 1 . 1 1 5 5 SER C C 5 173.075 173.075 172.591 0.484 25086 92 1 1 . 1 1 5 5 SER CA C 5 57.153 57.153 58.557 -1.405 25086 93 1 1 . 1 1 5 5 SER CB C 5 65.752 65.752 64.109 1.643 25086 94 1 1 . 1 1 5 5 SER H H 5 8.623 8.623 8.240 0.383 25086 95 1 1 . 1 1 6 6 VAL N N 6 121.311 121.311 125.439 -4.128 25086 96 1 1 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.179 -0.010 25086 97 1 1 . 1 1 6 6 VAL C C 6 175.872 175.872 175.814 0.058 25086 98 1 1 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.533 0.213 25086 99 1 1 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.555 -0.058 25086 100 1 1 . 1 1 6 6 VAL H H 6 8.384 8.384 8.527 -0.143 25086 101 1 1 . 1 1 7 7 LYS N N 7 128.341 128.341 129.248 -0.907 25086 102 1 1 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.819 0.146 25086 103 1 1 . 1 1 7 7 LYS C C 7 174.655 174.655 174.884 -0.229 25086 104 1 1 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.384 0.225 25086 105 1 1 . 1 1 7 7 LYS CB C 7 36.574 36.574 34.940 1.634 25086 106 1 1 . 1 1 7 7 LYS H H 7 9.042 9.042 9.105 -0.063 25086 107 1 1 . 1 1 8 8 ARG N N 8 120.527 120.527 121.263 -0.736 25086 108 1 1 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.787 -0.423 25086 109 1 1 . 1 1 8 8 ARG C C 8 174.148 174.148 175.754 -1.606 25086 110 1 1 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.909 0.267 25086 111 1 1 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.321 0.185 25086 112 1 1 . 1 1 8 8 ARG H H 8 8.791 8.791 8.642 0.149 25086 113 1 1 . 1 1 9 9 TRP N N 9 131.164 131.164 130.569 0.595 25086 114 1 1 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.669 -0.017 25086 115 1 1 . 1 1 9 9 TRP C C 9 176.351 176.351 175.959 0.392 25086 116 1 1 . 1 1 9 9 TRP CA C 9 53.037 53.037 55.028 -1.991 25086 117 1 1 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.040 -0.974 25086 118 1 1 . 1 1 9 9 TRP H H 9 8.994 8.994 9.143 -0.149 25086 119 1 1 . 1 1 10 10 GLY N N 10 117.757 117.757 118.422 -0.665 25086 120 1 1 . 1 1 10 10 GLY C C 10 173.798 173.798 173.955 -0.157 25086 121 1 1 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.303 1.021 25086 122 1 1 . 1 1 10 10 GLY H H 10 9.134 9.134 8.112 1.022 25086 123 1 1 . 1 1 11 11 ASN N N 11 125.396 125.396 124.294 1.102 25086 124 1 1 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.988 -0.219 25086 125 1 1 . 1 1 11 11 ASN C C 11 175.190 175.190 174.444 0.746 25086 126 1 1 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.454 0.288 25086 127 1 1 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.292 0.018 25086 128 1 1 . 1 1 11 11 ASN H H 11 8.667 8.667 8.563 0.104 25086 129 1 1 . 1 1 12 12 SER N N 12 115.939 115.939 116.911 -0.972 25086 130 1 1 . 1 1 12 12 SER HA H 12 5.038 5.038 4.867 0.171 25086 131 1 1 . 1 1 12 12 SER CA C 12 56.293 56.293 56.181 0.112 25086 132 1 1 . 1 1 12 12 SER CB C 12 65.254 65.254 65.241 0.013 25086 133 1 1 . 1 1 12 12 SER H H 12 7.798 7.798 7.645 0.153 25086 134 1 1 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.927 -0.064 25086 135 1 1 . 1 1 13 13 PRO C C 13 177.322 177.322 175.914 1.408 25086 136 1 1 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.631 -0.502 25086 137 1 1 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.420 1.198 25086 138 1 1 . 1 1 14 14 ALA N N 14 125.096 125.096 129.898 -4.802 25086 139 1 1 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.837 0.452 25086 140 1 1 . 1 1 14 14 ALA C C 14 174.888 174.888 175.276 -0.388 25086 141 1 1 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.373 0.397 25086 142 1 1 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.624 1.647 25086 143 1 1 . 1 1 14 14 ALA H H 14 9.419 9.419 9.126 0.293 25086 144 1 1 . 1 1 15 15 VAL N N 15 116.316 116.316 122.265 -5.949 25086 145 1 1 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.500 0.241 25086 146 1 1 . 1 1 15 15 VAL C C 15 175.375 175.375 175.546 -0.171 25086 147 1 1 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.434 -0.602 25086 148 1 1 . 1 1 15 15 VAL CB C 15 35.541 35.541 35.087 0.454 25086 149 1 1 . 1 1 15 15 VAL H H 15 8.491 8.491 8.531 -0.040 25086 150 1 1 . 1 1 16 16 ARG N N 16 125.595 125.595 126.252 -0.657 25086 151 1 1 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.429 0.304 25086 152 1 1 . 1 1 16 16 ARG C C 16 176.071 176.071 176.151 -0.080 25086 153 1 1 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.053 1.151 25086 154 1 1 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.418 0.075 25086 155 1 1 . 1 1 16 16 ARG H H 16 8.812 8.812 8.539 0.273 25086 156 1 1 . 1 1 17 17 ILE N N 17 123.572 123.572 126.761 -3.189 25086 157 1 1 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.240 0.155 25086 158 1 1 . 1 1 17 17 ILE CA C 17 56.591 56.591 58.348 -1.757 25086 159 1 1 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.645 0.136 25086 160 1 1 . 1 1 17 17 ILE H H 17 8.020 8.020 8.273 -0.253 25086 161 1 1 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.385 0.006 25086 162 1 1 . 1 1 18 18 PRO C C 18 177.860 177.860 177.386 0.474 25086 163 1 1 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.806 0.062 25086 164 1 1 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.252 0.584 25086 165 1 1 . 1 1 19 19 ALA N N 19 128.602 128.602 129.307 -0.705 25086 166 1 1 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.026 -0.088 25086 167 1 1 . 1 1 19 19 ALA C C 19 180.059 180.059 179.610 0.449 25086 168 1 1 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.127 0.748 25086 169 1 1 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.160 0.140 25086 170 1 1 . 1 1 19 19 ALA H H 19 8.975 8.975 8.775 0.200 25086 171 1 1 . 1 1 20 20 THR N N 20 108.352 108.352 114.802 -6.450 25086 172 1 1 . 1 1 20 20 THR HA H 20 4.041 4.041 4.068 -0.027 25086 173 1 1 . 1 1 20 20 THR C C 20 177.381 177.381 176.461 0.920 25086 174 1 1 . 1 1 20 20 THR CA C 20 64.688 64.688 65.996 -1.308 25086 175 1 1 . 1 1 20 20 THR CB C 20 68.155 68.155 68.274 -0.119 25086 176 1 1 . 1 1 20 20 THR H H 20 8.263 8.263 8.241 0.022 25086 177 1 1 . 1 1 21 21 LEU N N 21 121.199 121.199 121.717 -0.518 25086 178 1 1 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.278 -0.052 25086 179 1 1 . 1 1 21 21 LEU C C 21 178.002 178.002 178.737 -0.735 25086 180 1 1 . 1 1 21 21 LEU CA C 21 56.943 56.943 56.949 -0.006 25086 181 1 1 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.170 -0.139 25086 182 1 1 . 1 1 21 21 LEU H H 21 7.040 7.040 7.825 -0.785 25086 183 1 1 . 1 1 22 22 MET N N 22 117.150 117.150 118.623 -1.473 25086 184 1 1 . 1 1 22 22 MET HA H 22 4.019 4.019 3.945 0.074 25086 185 1 1 . 1 1 22 22 MET C C 22 178.951 178.951 178.812 0.139 25086 186 1 1 . 1 1 22 22 MET CA C 22 57.881 57.881 58.496 -0.615 25086 187 1 1 . 1 1 22 22 MET CB C 22 30.803 30.803 31.074 -0.271 25086 188 1 1 . 1 1 22 22 MET H H 22 7.415 7.415 8.227 -0.812 25086 189 1 1 . 1 1 23 23 GLN N N 23 116.690 116.690 117.313 -0.623 25086 190 1 1 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.079 0.081 25086 191 1 1 . 1 1 23 23 GLN C C 23 179.589 179.589 178.557 1.032 25086 192 1 1 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.455 0.060 25086 193 1 1 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.390 -0.102 25086 194 1 1 . 1 1 23 23 GLN H H 23 7.953 7.953 8.010 -0.057 25086 195 1 1 . 1 1 24 24 ALA N N 24 122.104 122.104 121.319 0.785 25086 196 1 1 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.199 -0.091 25086 197 1 1 . 1 1 24 24 ALA C C 24 179.010 179.010 178.603 0.407 25086 198 1 1 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.416 0.329 25086 199 1 1 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.979 -0.260 25086 200 1 1 . 1 1 24 24 ALA H H 24 7.617 7.617 7.457 0.160 25086 201 1 1 . 1 1 25 25 LEU N N 25 115.630 115.630 115.876 -0.246 25086 202 1 1 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.473 -0.167 25086 203 1 1 . 1 1 25 25 LEU C C 25 175.862 175.862 176.064 -0.202 25086 204 1 1 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.589 -0.580 25086 205 1 1 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.603 1.014 25086 206 1 1 . 1 1 25 25 LEU H H 25 7.381 7.381 7.825 -0.444 25086 207 1 1 . 1 1 26 26 ASN N N 26 118.019 118.019 114.194 3.825 25086 208 1 1 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.409 -0.120 25086 209 1 1 . 1 1 26 26 ASN C C 26 173.478 173.478 174.105 -0.627 25086 210 1 1 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.093 0.100 25086 211 1 1 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.603 0.755 25086 212 1 1 . 1 1 26 26 ASN H H 26 7.966 7.966 7.678 0.288 25086 213 1 1 . 1 1 27 27 LEU N N 27 118.539 118.539 112.796 5.743 25086 214 1 1 . 1 1 27 27 LEU HA H 27 4.583 4.583 5.056 -0.473 25086 215 1 1 . 1 1 27 27 LEU C C 27 174.995 174.995 174.874 0.121 25086 216 1 1 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.170 0.570 25086 217 1 1 . 1 1 27 27 LEU CB C 27 46.165 46.165 45.017 1.148 25086 218 1 1 . 1 1 27 27 LEU H H 27 8.023 8.023 8.065 -0.042 25086 219 1 1 . 1 1 28 28 ASN N N 28 121.416 121.416 115.830 5.586 25086 220 1 1 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.876 0.004 25086 221 1 1 . 1 1 28 28 ASN C C 28 174.980 174.980 174.805 0.175 25086 222 1 1 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.614 -0.270 25086 223 1 1 . 1 1 28 28 ASN CB C 28 42.553 42.553 40.761 1.792 25086 224 1 1 . 1 1 28 28 ASN H H 28 8.889 8.889 8.264 0.625 25086 225 1 1 . 1 1 29 29 ILE N N 29 120.022 120.022 120.462 -0.440 25086 226 1 1 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.085 -0.758 25086 227 1 1 . 1 1 29 29 ILE C C 29 176.499 176.499 176.853 -0.354 25086 228 1 1 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.890 0.354 25086 229 1 1 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.850 -0.584 25086 230 1 1 . 1 1 29 29 ILE H H 29 8.396 8.396 8.410 -0.014 25086 231 1 1 . 1 1 30 30 ASP N N 30 121.326 121.326 121.851 -0.525 25086 232 1 1 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.406 -0.005 25086 233 1 1 . 1 1 30 30 ASP C C 30 175.994 175.994 175.173 0.821 25086 234 1 1 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.285 2.658 25086 235 1 1 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.591 -1.776 25086 236 1 1 . 1 1 30 30 ASP H H 30 9.114 9.114 8.789 0.326 25086 237 1 1 . 1 1 31 31 ASP N N 31 121.764 121.764 119.270 2.494 25086 238 1 1 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.777 -0.084 25086 239 1 1 . 1 1 31 31 ASP C C 31 175.904 175.904 175.390 0.514 25086 240 1 1 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.184 1.108 25086 241 1 1 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.432 -1.256 25086 242 1 1 . 1 1 31 31 ASP H H 31 8.056 8.056 7.875 0.181 25086 243 1 1 . 1 1 32 32 GLU N N 32 120.895 120.895 121.340 -0.445 25086 244 1 1 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.573 0.123 25086 245 1 1 . 1 1 32 32 GLU C C 32 176.717 176.717 174.933 1.784 25086 246 1 1 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.388 1.021 25086 247 1 1 . 1 1 32 32 GLU CB C 32 31.304 31.304 31.059 0.245 25086 248 1 1 . 1 1 32 32 GLU H H 32 8.683 8.683 8.564 0.119 25086 249 1 1 . 1 1 33 33 VAL N N 33 114.605 114.605 120.426 -5.821 25086 250 1 1 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.388 0.618 25086 251 1 1 . 1 1 33 33 VAL C C 33 173.447 173.447 174.307 -0.860 25086 252 1 1 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.493 -1.065 25086 253 1 1 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.321 1.444 25086 254 1 1 . 1 1 33 33 VAL H H 33 8.423 8.423 8.329 0.094 25086 255 1 1 . 1 1 34 34 LYS N N 34 122.276 122.276 123.883 -1.607 25086 256 1 1 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.667 0.100 25086 257 1 1 . 1 1 34 34 LYS C C 34 175.062 175.062 175.174 -0.112 25086 258 1 1 . 1 1 34 34 LYS CA C 34 54.652 54.652 54.913 -0.262 25086 259 1 1 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.163 0.694 25086 260 1 1 . 1 1 34 34 LYS H H 34 8.989 8.989 8.864 0.125 25086 261 1 1 . 1 1 35 35 ILE N N 35 124.021 124.021 128.833 -4.812 25086 262 1 1 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.601 0.453 25086 263 1 1 . 1 1 35 35 ILE C C 35 174.111 174.111 175.543 -1.432 25086 264 1 1 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.680 -0.442 25086 265 1 1 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.335 1.654 25086 266 1 1 . 1 1 35 35 ILE H H 35 8.717 8.717 8.716 0.001 25086 267 1 1 . 1 1 36 36 ASP N N 36 126.126 126.126 129.018 -2.892 25086 268 1 1 . 1 1 36 36 ASP HA H 36 5.054 5.054 5.004 0.050 25086 269 1 1 . 1 1 36 36 ASP C C 36 173.496 173.496 174.341 -0.845 25086 270 1 1 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.120 -0.876 25086 271 1 1 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.533 0.747 25086 272 1 1 . 1 1 36 36 ASP H H 36 8.948 8.948 8.960 -0.012 25086 273 1 1 . 1 1 37 37 LEU N N 37 123.664 123.664 125.534 -1.870 25086 274 1 1 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.025 0.176 25086 275 1 1 . 1 1 37 37 LEU C C 37 175.865 175.865 175.829 0.036 25086 276 1 1 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.201 -0.140 25086 277 1 1 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.675 1.631 25086 278 1 1 . 1 1 37 37 LEU H H 37 8.629 8.629 8.737 -0.108 25086 279 1 1 . 1 1 38 38 VAL N N 38 126.795 126.795 126.889 -0.094 25086 280 1 1 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.325 -0.136 25086 281 1 1 . 1 1 38 38 VAL C C 38 175.379 175.379 174.992 0.387 25086 282 1 1 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.822 -0.341 25086 283 1 1 . 1 1 38 38 VAL CB C 38 35.102 35.102 33.906 1.196 25086 284 1 1 . 1 1 38 38 VAL H H 38 8.772 8.772 9.117 -0.345 25086 285 1 1 . 1 1 39 39 ASP N N 39 127.355 127.355 127.583 -0.228 25086 286 1 1 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.329 -0.108 25086 287 1 1 . 1 1 39 39 ASP C C 39 175.944 175.944 176.169 -0.225 25086 288 1 1 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.276 -0.052 25086 289 1 1 . 1 1 39 39 ASP CB C 39 40.006 40.006 39.786 0.220 25086 290 1 1 . 1 1 39 39 ASP H H 39 9.154 9.154 9.242 -0.088 25086 291 1 1 . 1 1 40 40 GLY N N 40 103.124 103.124 101.761 1.363 25086 292 1 1 . 1 1 40 40 GLY C C 40 172.842 172.842 173.824 -0.982 25086 293 1 1 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.094 0.968 25086 294 1 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.367 0.058 25086 295 1 1 . 1 1 41 41 LYS N N 41 117.155 117.155 120.444 -3.289 25086 296 1 1 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.693 0.052 25086 297 1 1 . 1 1 41 41 LYS C C 41 174.385 174.385 174.994 -0.609 25086 298 1 1 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.164 0.326 25086 299 1 1 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.269 -0.025 25086 300 1 1 . 1 1 41 41 LYS H H 41 7.676 7.676 7.683 -0.007 25086 301 1 1 . 1 1 42 42 LEU N N 42 119.938 119.938 125.508 -5.570 25086 302 1 1 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.827 0.239 25086 303 1 1 . 1 1 42 42 LEU C C 42 174.895 174.895 176.487 -1.592 25086 304 1 1 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.278 -0.718 25086 305 1 1 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.700 0.748 25086 306 1 1 . 1 1 42 42 LEU H H 42 8.585 8.585 8.587 -0.002 25086 307 1 1 . 1 1 43 43 ILE N N 43 123.764 123.764 126.125 -2.361 25086 308 1 1 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.355 0.570 25086 309 1 1 . 1 1 43 43 ILE C C 43 175.893 175.893 174.597 1.296 25086 310 1 1 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.155 0.132 25086 311 1 1 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.761 0.417 25086 312 1 1 . 1 1 43 43 ILE H H 43 9.075 9.075 9.150 -0.075 25086 313 1 1 . 1 1 44 44 ILE N N 44 126.815 126.815 128.311 -1.496 25086 314 1 1 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.563 0.393 25086 315 1 1 . 1 1 44 44 ILE C C 44 174.230 174.230 176.031 -1.801 25086 316 1 1 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.750 1.468 25086 317 1 1 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.497 1.664 25086 318 1 1 . 1 1 44 44 ILE H H 44 9.411 9.411 8.618 0.793 25086 319 1 1 . 1 1 45 45 GLU N N 45 126.742 126.742 130.301 -3.559 25086 320 1 1 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.965 0.209 25086 321 1 1 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.604 -0.653 25086 322 1 1 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.945 0.921 25086 323 1 1 . 1 1 45 45 GLU H H 45 8.929 8.929 8.894 0.035 25086 324 1 1 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.549 0.003 25086 325 1 1 . 1 1 46 46 PRO C C 46 175.856 175.856 176.080 -0.224 25086 326 1 1 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.135 1.080 25086 327 1 1 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.944 -0.506 25086 328 1 1 . 1 1 47 47 VAL N N 47 123.846 123.846 121.615 2.231 25086 329 1 1 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.156 -0.139 25086 330 1 1 . 1 1 47 47 VAL C C 47 175.776 175.776 175.001 0.775 25086 331 1 1 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.438 1.218 25086 332 1 1 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.075 0.196 25086 333 1 1 . 1 1 47 47 VAL H H 47 7.893 7.893 7.987 -0.094 25086 334 1 1 . 1 1 48 48 ARG N N 48 126.674 126.674 127.892 -1.218 25086 335 1 1 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.329 0.077 25086 336 1 1 . 1 1 48 48 ARG C C 48 175.887 175.887 175.690 0.197 25086 337 1 1 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.292 -0.772 25086 338 1 1 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.665 0.136 25086 339 1 1 . 1 1 48 48 ARG H H 48 8.646 8.646 7.961 0.685 25086 340 1 1 . 1 1 49 49 LYS N N 49 124.176 124.176 122.870 1.306 25086 341 1 1 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.581 -0.222 25086 342 1 1 . 1 1 49 49 LYS C C 49 175.579 175.579 175.333 0.246 25086 343 1 1 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.536 0.634 25086 344 1 1 . 1 1 49 49 LYS CB C 49 33.218 33.218 32.284 0.934 25086 345 1 1 . 1 1 49 49 LYS H H 49 8.563 8.563 8.410 0.153 25086 346 1 2 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.780 -0.173 25086 347 1 2 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.950 -0.145 25086 348 1 2 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.583 0.515 25086 349 1 2 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.971 -0.591 25086 350 1 2 . 1 1 -14 -14 LYS N N -14 122.750 122.750 122.804 -0.054 25086 351 1 2 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.237 0.006 25086 352 1 2 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.919 0.231 25086 353 1 2 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.860 0.488 25086 354 1 2 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.735 0.250 25086 355 1 2 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.568 -0.214 25086 356 1 2 . 1 1 -13 -13 VAL N N -13 121.546 121.546 125.680 -4.134 25086 357 1 2 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.981 -0.003 25086 358 1 2 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.910 -0.299 25086 359 1 2 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.765 -0.617 25086 360 1 2 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.784 0.031 25086 361 1 2 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.810 -0.712 25086 362 1 2 . 1 1 -12 -12 HIS N N -12 123.329 123.329 128.712 -5.383 25086 363 1 2 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.380 -0.854 25086 364 1 2 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 27.961 2.479 25086 365 1 2 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.765 -0.327 25086 366 1 2 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.776 -0.170 25086 367 1 2 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.059 -0.345 25086 368 1 2 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 54.477 1.504 25086 369 1 2 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.610 -0.705 25086 370 1 2 . 1 1 -6 -6 MET N N -6 122.431 122.431 125.182 -2.751 25086 371 1 2 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.876 -0.423 25086 372 1 2 . 1 1 -6 -6 MET C C -6 176.091 176.091 176.160 -0.069 25086 373 1 2 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.898 0.760 25086 374 1 2 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.605 1.347 25086 375 1 2 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.952 -0.432 25086 376 1 2 . 1 1 -5 -5 SER N N -5 116.616 116.616 119.087 -2.471 25086 377 1 2 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.225 0.219 25086 378 1 2 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.898 -1.436 25086 379 1 2 . 1 1 -5 -5 SER CA C -5 58.379 58.379 61.537 -3.158 25086 380 1 2 . 1 1 -5 -5 SER CB C -5 63.989 63.989 63.013 0.976 25086 381 1 2 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.185 0.225 25086 382 1 2 . 1 1 -4 -4 ASP N N -4 122.320 122.320 120.167 2.153 25086 383 1 2 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.478 0.124 25086 384 1 2 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.466 -0.268 25086 385 1 2 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.698 -1.918 25086 386 1 2 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.349 0.768 25086 387 1 2 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.615 -0.186 25086 388 1 2 . 1 1 -3 -3 ASP N N -3 119.793 119.793 117.379 2.414 25086 389 1 2 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.578 -0.014 25086 390 1 2 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.912 -0.666 25086 391 1 2 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.783 -1.054 25086 392 1 2 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.516 -0.322 25086 393 1 2 . 1 1 -3 -3 ASP H H -3 8.206 8.206 7.520 0.686 25086 394 1 2 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.750 1.520 25086 395 1 2 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.571 -0.004 25086 396 1 2 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.238 -0.185 25086 397 1 2 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.311 -0.573 25086 398 1 2 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.905 -0.661 25086 399 1 2 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.676 0.494 25086 400 1 2 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.847 0.432 25086 401 1 2 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.723 -0.133 25086 402 1 2 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.655 0.651 25086 403 1 2 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 53.795 0.620 25086 404 1 2 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 42.649 -1.545 25086 405 1 2 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.691 0.534 25086 406 1 2 . 1 1 0 0 LYS N N 0 121.408 121.408 123.422 -2.014 25086 407 1 2 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.482 -0.097 25086 408 1 2 . 1 1 0 0 LYS C C 0 177.017 177.017 176.838 0.179 25086 409 1 2 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.824 0.273 25086 410 1 2 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.654 0.315 25086 411 1 2 . 1 1 0 0 LYS H H 0 8.251 8.251 8.265 -0.014 25086 412 1 2 . 1 1 1 1 GLY N N 1 109.054 109.054 109.926 -0.872 25086 413 1 2 . 1 1 1 1 GLY C C 1 173.630 173.630 174.178 -0.548 25086 414 1 2 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.272 1.013 25086 415 1 2 . 1 1 1 1 GLY H H 1 8.370 8.370 8.513 -0.143 25086 416 1 2 . 1 1 2 2 ILE N N 2 120.862 120.862 122.121 -1.259 25086 417 1 2 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.908 0.389 25086 418 1 2 . 1 1 2 2 ILE C C 2 175.993 175.993 176.110 -0.117 25086 419 1 2 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.160 -0.328 25086 420 1 2 . 1 1 2 2 ILE CB C 2 39.733 39.733 37.583 2.150 25086 421 1 2 . 1 1 2 2 ILE H H 2 8.579 8.579 8.215 0.364 25086 422 1 2 . 1 1 3 3 HIS N N 3 124.483 124.483 125.500 -1.017 25086 423 1 2 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.681 0.553 25086 424 1 2 . 1 1 3 3 HIS C C 3 174.751 174.751 174.218 0.533 25086 425 1 2 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.099 -0.814 25086 426 1 2 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.234 -0.158 25086 427 1 2 . 1 1 3 3 HIS H H 3 8.920 8.920 8.293 0.627 25086 428 1 2 . 1 1 4 4 SER N N 4 117.417 117.417 118.818 -1.401 25086 429 1 2 . 1 1 4 4 SER HA H 4 4.712 4.712 4.807 -0.095 25086 430 1 2 . 1 1 4 4 SER C C 4 174.112 174.112 173.310 0.802 25086 431 1 2 . 1 1 4 4 SER CA C 4 56.102 56.102 57.997 -1.895 25086 432 1 2 . 1 1 4 4 SER CB C 4 64.679 64.679 65.555 -0.876 25086 433 1 2 . 1 1 4 4 SER H H 4 8.925 8.925 8.860 0.065 25086 434 1 2 . 1 1 5 5 SER N N 5 114.372 114.372 116.519 -2.147 25086 435 1 2 . 1 1 5 5 SER HA H 5 5.390 5.390 4.794 0.596 25086 436 1 2 . 1 1 5 5 SER C C 5 173.075 173.075 172.752 0.323 25086 437 1 2 . 1 1 5 5 SER CA C 5 57.153 57.153 57.904 -0.751 25086 438 1 2 . 1 1 5 5 SER CB C 5 65.752 65.752 64.952 0.800 25086 439 1 2 . 1 1 5 5 SER H H 5 8.623 8.623 8.205 0.418 25086 440 1 2 . 1 1 6 6 VAL N N 6 121.311 121.311 121.992 -0.681 25086 441 1 2 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.417 -0.248 25086 442 1 2 . 1 1 6 6 VAL C C 6 175.872 175.872 176.111 -0.239 25086 443 1 2 . 1 1 6 6 VAL CA C 6 62.746 62.746 61.974 0.772 25086 444 1 2 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.508 -1.012 25086 445 1 2 . 1 1 6 6 VAL H H 6 8.384 8.384 8.470 -0.086 25086 446 1 2 . 1 1 7 7 LYS N N 7 128.341 128.341 127.991 0.350 25086 447 1 2 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.868 0.097 25086 448 1 2 . 1 1 7 7 LYS C C 7 174.655 174.655 174.584 0.071 25086 449 1 2 . 1 1 7 7 LYS CA C 7 53.609 53.609 54.372 -0.763 25086 450 1 2 . 1 1 7 7 LYS CB C 7 36.574 36.574 36.391 0.183 25086 451 1 2 . 1 1 7 7 LYS H H 7 9.042 9.042 8.768 0.274 25086 452 1 2 . 1 1 8 8 ARG N N 8 120.527 120.527 121.064 -0.537 25086 453 1 2 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.728 -0.364 25086 454 1 2 . 1 1 8 8 ARG C C 8 174.148 174.148 175.301 -1.153 25086 455 1 2 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.042 0.134 25086 456 1 2 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.960 -0.454 25086 457 1 2 . 1 1 8 8 ARG H H 8 8.791 8.791 8.594 0.197 25086 458 1 2 . 1 1 9 9 TRP N N 9 131.164 131.164 130.412 0.752 25086 459 1 2 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.711 -0.059 25086 460 1 2 . 1 1 9 9 TRP C C 9 176.351 176.351 175.973 0.378 25086 461 1 2 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.771 -1.734 25086 462 1 2 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.257 -1.191 25086 463 1 2 . 1 1 9 9 TRP H H 9 8.994 8.994 9.202 -0.208 25086 464 1 2 . 1 1 10 10 GLY N N 10 117.757 117.757 117.679 0.078 25086 465 1 2 . 1 1 10 10 GLY C C 10 173.798 173.798 173.899 -0.101 25086 466 1 2 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.170 1.154 25086 467 1 2 . 1 1 10 10 GLY H H 10 9.134 9.134 8.101 1.033 25086 468 1 2 . 1 1 11 11 ASN N N 11 125.396 125.396 122.592 2.804 25086 469 1 2 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.804 -0.035 25086 470 1 2 . 1 1 11 11 ASN C C 11 175.190 175.190 174.237 0.953 25086 471 1 2 . 1 1 11 11 ASN CA C 11 52.742 52.742 53.002 -0.260 25086 472 1 2 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.748 0.562 25086 473 1 2 . 1 1 11 11 ASN H H 11 8.667 8.667 8.484 0.183 25086 474 1 2 . 1 1 12 12 SER N N 12 115.939 115.939 117.503 -1.564 25086 475 1 2 . 1 1 12 12 SER HA H 12 5.038 5.038 4.958 0.080 25086 476 1 2 . 1 1 12 12 SER CA C 12 56.293 56.293 54.976 1.317 25086 477 1 2 . 1 1 12 12 SER CB C 12 65.254 65.254 64.540 0.714 25086 478 1 2 . 1 1 12 12 SER H H 12 7.798 7.798 7.708 0.090 25086 479 1 2 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.751 0.112 25086 480 1 2 . 1 1 13 13 PRO C C 13 177.322 177.322 175.813 1.509 25086 481 1 2 . 1 1 13 13 PRO CA C 13 62.129 62.129 63.004 -0.875 25086 482 1 2 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.691 0.927 25086 483 1 2 . 1 1 14 14 ALA N N 14 125.096 125.096 128.565 -3.469 25086 484 1 2 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.852 0.437 25086 485 1 2 . 1 1 14 14 ALA C C 14 174.888 174.888 175.261 -0.373 25086 486 1 2 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.104 0.666 25086 487 1 2 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.778 1.493 25086 488 1 2 . 1 1 14 14 ALA H H 14 9.419 9.419 9.177 0.242 25086 489 1 2 . 1 1 15 15 VAL N N 15 116.316 116.316 122.652 -6.336 25086 490 1 2 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.386 0.354 25086 491 1 2 . 1 1 15 15 VAL C C 15 175.375 175.375 176.174 -0.799 25086 492 1 2 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.103 -1.271 25086 493 1 2 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.400 2.141 25086 494 1 2 . 1 1 15 15 VAL H H 15 8.491 8.491 8.608 -0.117 25086 495 1 2 . 1 1 16 16 ARG N N 16 125.595 125.595 127.364 -1.769 25086 496 1 2 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.328 0.405 25086 497 1 2 . 1 1 16 16 ARG C C 16 176.071 176.071 175.741 0.330 25086 498 1 2 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.796 0.408 25086 499 1 2 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.433 0.060 25086 500 1 2 . 1 1 16 16 ARG H H 16 8.812 8.812 8.390 0.422 25086 501 1 2 . 1 1 17 17 ILE N N 17 123.572 123.572 126.530 -2.958 25086 502 1 2 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.352 0.043 25086 503 1 2 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.799 -1.208 25086 504 1 2 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.891 -0.110 25086 505 1 2 . 1 1 17 17 ILE H H 17 8.020 8.020 8.199 -0.179 25086 506 1 2 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.439 -0.048 25086 507 1 2 . 1 1 18 18 PRO C C 18 177.860 177.860 177.169 0.691 25086 508 1 2 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.731 0.137 25086 509 1 2 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.136 0.700 25086 510 1 2 . 1 1 19 19 ALA N N 19 128.602 128.602 129.239 -0.637 25086 511 1 2 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.017 -0.079 25086 512 1 2 . 1 1 19 19 ALA C C 19 180.059 180.059 179.429 0.630 25086 513 1 2 . 1 1 19 19 ALA CA C 19 55.875 55.875 54.991 0.884 25086 514 1 2 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.226 0.074 25086 515 1 2 . 1 1 19 19 ALA H H 19 8.975 8.975 8.767 0.208 25086 516 1 2 . 1 1 20 20 THR N N 20 108.352 108.352 115.391 -7.039 25086 517 1 2 . 1 1 20 20 THR HA H 20 4.041 4.041 4.192 -0.151 25086 518 1 2 . 1 1 20 20 THR C C 20 177.381 177.381 176.221 1.160 25086 519 1 2 . 1 1 20 20 THR CA C 20 64.688 64.688 66.716 -2.028 25086 520 1 2 . 1 1 20 20 THR CB C 20 68.155 68.155 68.454 -0.299 25086 521 1 2 . 1 1 20 20 THR H H 20 8.263 8.263 8.250 0.013 25086 522 1 2 . 1 1 21 21 LEU N N 21 121.199 121.199 121.308 -0.109 25086 523 1 2 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.236 -0.010 25086 524 1 2 . 1 1 21 21 LEU C C 21 178.002 178.002 178.375 -0.373 25086 525 1 2 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.218 -0.275 25086 526 1 2 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.190 -0.158 25086 527 1 2 . 1 1 21 21 LEU H H 21 7.040 7.040 7.839 -0.799 25086 528 1 2 . 1 1 22 22 MET N N 22 117.150 117.150 118.783 -1.633 25086 529 1 2 . 1 1 22 22 MET HA H 22 4.019 4.019 3.946 0.073 25086 530 1 2 . 1 1 22 22 MET C C 22 178.951 178.951 178.697 0.254 25086 531 1 2 . 1 1 22 22 MET CA C 22 57.881 57.881 58.910 -1.028 25086 532 1 2 . 1 1 22 22 MET CB C 22 30.803 30.803 31.435 -0.632 25086 533 1 2 . 1 1 22 22 MET H H 22 7.415 7.415 7.676 -0.261 25086 534 1 2 . 1 1 23 23 GLN N N 23 116.690 116.690 116.961 -0.271 25086 535 1 2 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.046 0.114 25086 536 1 2 . 1 1 23 23 GLN C C 23 179.589 179.589 178.890 0.699 25086 537 1 2 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.499 0.016 25086 538 1 2 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.352 -0.064 25086 539 1 2 . 1 1 23 23 GLN H H 23 7.953 7.953 8.097 -0.144 25086 540 1 2 . 1 1 24 24 ALA N N 24 122.104 122.104 121.915 0.189 25086 541 1 2 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.188 -0.080 25086 542 1 2 . 1 1 24 24 ALA C C 24 179.010 179.010 178.531 0.479 25086 543 1 2 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.414 0.331 25086 544 1 2 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.750 -0.031 25086 545 1 2 . 1 1 24 24 ALA H H 24 7.617 7.617 7.482 0.135 25086 546 1 2 . 1 1 25 25 LEU N N 25 115.630 115.630 115.666 -0.036 25086 547 1 2 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.488 -0.182 25086 548 1 2 . 1 1 25 25 LEU C C 25 175.862 175.862 176.070 -0.208 25086 549 1 2 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.284 -0.275 25086 550 1 2 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.204 1.413 25086 551 1 2 . 1 1 25 25 LEU H H 25 7.381 7.381 7.609 -0.228 25086 552 1 2 . 1 1 26 26 ASN N N 26 118.019 118.019 113.539 4.480 25086 553 1 2 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.467 -0.178 25086 554 1 2 . 1 1 26 26 ASN C C 26 173.478 173.478 174.786 -1.308 25086 555 1 2 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.307 -0.114 25086 556 1 2 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.914 -0.556 25086 557 1 2 . 1 1 26 26 ASN H H 26 7.966 7.966 7.493 0.473 25086 558 1 2 . 1 1 27 27 LEU N N 27 118.539 118.539 116.394 2.145 25086 559 1 2 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.753 -0.170 25086 560 1 2 . 1 1 27 27 LEU C C 27 174.995 174.995 174.733 0.262 25086 561 1 2 . 1 1 27 27 LEU CA C 27 53.740 53.740 54.146 -0.406 25086 562 1 2 . 1 1 27 27 LEU CB C 27 46.165 46.165 43.962 2.203 25086 563 1 2 . 1 1 27 27 LEU H H 27 8.023 8.023 7.677 0.346 25086 564 1 2 . 1 1 28 28 ASN N N 28 121.416 121.416 115.317 6.099 25086 565 1 2 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.818 0.062 25086 566 1 2 . 1 1 28 28 ASN C C 28 174.980 174.980 174.558 0.422 25086 567 1 2 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.429 -0.085 25086 568 1 2 . 1 1 28 28 ASN CB C 28 42.553 42.553 40.514 2.039 25086 569 1 2 . 1 1 28 28 ASN H H 28 8.889 8.889 8.103 0.786 25086 570 1 2 . 1 1 29 29 ILE N N 29 120.022 120.022 120.562 -0.540 25086 571 1 2 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.079 -0.752 25086 572 1 2 . 1 1 29 29 ILE C C 29 176.499 176.499 177.042 -0.543 25086 573 1 2 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.801 0.443 25086 574 1 2 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.921 -0.655 25086 575 1 2 . 1 1 29 29 ILE H H 29 8.396 8.396 8.452 -0.056 25086 576 1 2 . 1 1 30 30 ASP N N 30 121.326 121.326 122.572 -1.246 25086 577 1 2 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.375 0.026 25086 578 1 2 . 1 1 30 30 ASP C C 30 175.994 175.994 175.048 0.946 25086 579 1 2 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.341 2.602 25086 580 1 2 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.684 -1.869 25086 581 1 2 . 1 1 30 30 ASP H H 30 9.114 9.114 8.854 0.260 25086 582 1 2 . 1 1 31 31 ASP N N 31 121.764 121.764 118.554 3.210 25086 583 1 2 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.782 -0.089 25086 584 1 2 . 1 1 31 31 ASP C C 31 175.904 175.904 175.104 0.800 25086 585 1 2 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.976 1.316 25086 586 1 2 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.608 -1.432 25086 587 1 2 . 1 1 31 31 ASP H H 31 8.056 8.056 7.677 0.379 25086 588 1 2 . 1 1 32 32 GLU N N 32 120.895 120.895 122.057 -1.162 25086 589 1 2 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.567 0.129 25086 590 1 2 . 1 1 32 32 GLU C C 32 176.717 176.717 175.122 1.595 25086 591 1 2 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.748 0.661 25086 592 1 2 . 1 1 32 32 GLU CB C 32 31.304 31.304 31.093 0.211 25086 593 1 2 . 1 1 32 32 GLU H H 32 8.683 8.683 8.556 0.127 25086 594 1 2 . 1 1 33 33 VAL N N 33 114.605 114.605 118.639 -4.034 25086 595 1 2 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.439 0.567 25086 596 1 2 . 1 1 33 33 VAL C C 33 173.447 173.447 174.501 -1.054 25086 597 1 2 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.543 -1.115 25086 598 1 2 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.876 0.888 25086 599 1 2 . 1 1 33 33 VAL H H 33 8.423 8.423 8.190 0.233 25086 600 1 2 . 1 1 34 34 LYS N N 34 122.276 122.276 123.213 -0.937 25086 601 1 2 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.525 0.242 25086 602 1 2 . 1 1 34 34 LYS C C 34 175.062 175.062 175.551 -0.489 25086 603 1 2 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.540 -0.888 25086 604 1 2 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.646 1.211 25086 605 1 2 . 1 1 34 34 LYS H H 34 8.989 8.989 8.299 0.690 25086 606 1 2 . 1 1 35 35 ILE N N 35 124.021 124.021 127.271 -3.250 25086 607 1 2 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.649 0.405 25086 608 1 2 . 1 1 35 35 ILE C C 35 174.111 174.111 175.437 -1.326 25086 609 1 2 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.143 0.095 25086 610 1 2 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.517 2.472 25086 611 1 2 . 1 1 35 35 ILE H H 35 8.717 8.717 8.665 0.052 25086 612 1 2 . 1 1 36 36 ASP N N 36 126.126 126.126 128.362 -2.236 25086 613 1 2 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.819 0.235 25086 614 1 2 . 1 1 36 36 ASP C C 36 173.496 173.496 174.476 -0.980 25086 615 1 2 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.046 -0.803 25086 616 1 2 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.770 1.510 25086 617 1 2 . 1 1 36 36 ASP H H 36 8.948 8.948 8.287 0.661 25086 618 1 2 . 1 1 37 37 LEU N N 37 123.664 123.664 124.975 -1.311 25086 619 1 2 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.930 0.271 25086 620 1 2 . 1 1 37 37 LEU C C 37 175.865 175.865 175.993 -0.128 25086 621 1 2 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.788 0.273 25086 622 1 2 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.213 2.093 25086 623 1 2 . 1 1 37 37 LEU H H 37 8.629 8.629 8.548 0.081 25086 624 1 2 . 1 1 38 38 VAL N N 38 126.795 126.795 126.275 0.520 25086 625 1 2 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.331 -0.142 25086 626 1 2 . 1 1 38 38 VAL C C 38 175.379 175.379 175.583 -0.204 25086 627 1 2 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.054 0.426 25086 628 1 2 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.820 0.282 25086 629 1 2 . 1 1 38 38 VAL H H 38 8.772 8.772 8.350 0.422 25086 630 1 2 . 1 1 39 39 ASP N N 39 127.355 127.355 126.408 0.947 25086 631 1 2 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.314 -0.093 25086 632 1 2 . 1 1 39 39 ASP C C 39 175.944 175.944 176.566 -0.622 25086 633 1 2 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.525 -0.301 25086 634 1 2 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.267 -0.261 25086 635 1 2 . 1 1 39 39 ASP H H 39 9.154 9.154 9.211 -0.057 25086 636 1 2 . 1 1 40 40 GLY N N 40 103.124 103.124 102.591 0.533 25086 637 1 2 . 1 1 40 40 GLY C C 40 172.842 172.842 173.396 -0.554 25086 638 1 2 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.117 0.945 25086 639 1 2 . 1 1 40 40 GLY H H 40 8.425 8.425 8.481 -0.056 25086 640 1 2 . 1 1 41 41 LYS N N 41 117.155 117.155 118.808 -1.653 25086 641 1 2 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.685 0.060 25086 642 1 2 . 1 1 41 41 LYS C C 41 174.385 174.385 174.882 -0.497 25086 643 1 2 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.946 0.544 25086 644 1 2 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.106 0.138 25086 645 1 2 . 1 1 41 41 LYS H H 41 7.676 7.676 7.991 -0.315 25086 646 1 2 . 1 1 42 42 LEU N N 42 119.938 119.938 121.718 -1.780 25086 647 1 2 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.348 0.718 25086 648 1 2 . 1 1 42 42 LEU C C 42 174.895 174.895 176.407 -1.512 25086 649 1 2 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.578 -1.018 25086 650 1 2 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.313 1.135 25086 651 1 2 . 1 1 42 42 LEU H H 42 8.585 8.585 8.477 0.108 25086 652 1 2 . 1 1 43 43 ILE N N 43 123.764 123.764 124.502 -0.738 25086 653 1 2 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.414 0.511 25086 654 1 2 . 1 1 43 43 ILE C C 43 175.893 175.893 174.753 1.140 25086 655 1 2 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.006 0.281 25086 656 1 2 . 1 1 43 43 ILE CB C 43 39.178 39.178 40.761 -1.583 25086 657 1 2 . 1 1 43 43 ILE H H 43 9.075 9.075 8.176 0.899 25086 658 1 2 . 1 1 44 44 ILE N N 44 126.815 126.815 126.042 0.773 25086 659 1 2 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.691 0.265 25086 660 1 2 . 1 1 44 44 ILE C C 44 174.230 174.230 175.368 -1.138 25086 661 1 2 . 1 1 44 44 ILE CA C 44 60.218 60.218 60.414 -0.196 25086 662 1 2 . 1 1 44 44 ILE CB C 44 39.161 39.161 39.688 -0.527 25086 663 1 2 . 1 1 44 44 ILE H H 44 9.411 9.411 8.472 0.939 25086 664 1 2 . 1 1 45 45 GLU N N 45 126.742 126.742 129.746 -3.004 25086 665 1 2 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.908 0.266 25086 666 1 2 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.449 -0.498 25086 667 1 2 . 1 1 45 45 GLU CB C 45 33.866 33.866 33.269 0.597 25086 668 1 2 . 1 1 45 45 GLU H H 45 8.929 8.929 8.450 0.479 25086 669 1 2 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.799 -0.247 25086 670 1 2 . 1 1 46 46 PRO C C 46 175.856 175.856 175.970 -0.114 25086 671 1 2 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.014 1.201 25086 672 1 2 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.751 -0.313 25086 673 1 2 . 1 1 47 47 VAL N N 47 123.846 123.846 120.946 2.900 25086 674 1 2 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.181 -0.164 25086 675 1 2 . 1 1 47 47 VAL C C 47 175.776 175.776 175.278 0.498 25086 676 1 2 . 1 1 47 47 VAL CA C 47 62.656 62.656 60.957 1.699 25086 677 1 2 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.124 0.147 25086 678 1 2 . 1 1 47 47 VAL H H 47 7.893 7.893 7.890 0.003 25086 679 1 2 . 1 1 48 48 ARG N N 48 126.674 126.674 127.000 -0.326 25086 680 1 2 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.358 0.048 25086 681 1 2 . 1 1 48 48 ARG C C 48 175.887 175.887 176.127 -0.240 25086 682 1 2 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.962 -0.442 25086 683 1 2 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.439 0.362 25086 684 1 2 . 1 1 48 48 ARG H H 48 8.646 8.646 8.367 0.279 25086 685 1 2 . 1 1 49 49 LYS N N 49 124.176 124.176 125.556 -1.380 25086 686 1 2 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.410 -0.051 25086 687 1 2 . 1 1 49 49 LYS C C 49 175.579 175.579 175.915 -0.336 25086 688 1 2 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.980 0.190 25086 689 1 2 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.791 1.427 25086 690 1 2 . 1 1 49 49 LYS H H 49 8.563 8.563 8.539 0.024 25086 691 1 3 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.819 -0.212 25086 692 1 3 . 1 1 -15 -15 HIS C C -15 174.805 174.805 175.068 -0.263 25086 693 1 3 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.672 0.426 25086 694 1 3 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.384 -0.004 25086 695 1 3 . 1 1 -14 -14 LYS N N -14 122.750 122.750 125.710 -2.960 25086 696 1 3 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.656 -0.413 25086 697 1 3 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.370 0.780 25086 698 1 3 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 56.035 0.313 25086 699 1 3 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.297 0.688 25086 700 1 3 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.636 -0.282 25086 701 1 3 . 1 1 -13 -13 VAL N N -13 121.546 121.546 117.825 3.721 25086 702 1 3 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.407 -0.429 25086 703 1 3 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.041 0.570 25086 704 1 3 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.294 -0.146 25086 705 1 3 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.722 0.093 25086 706 1 3 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.611 -0.513 25086 707 1 3 . 1 1 -12 -12 HIS N N -12 123.329 123.329 120.076 3.253 25086 708 1 3 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.110 -0.584 25086 709 1 3 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 31.566 -1.126 25086 710 1 3 . 1 1 -12 -12 HIS H H -12 8.438 8.438 7.444 0.994 25086 711 1 3 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.560 0.046 25086 712 1 3 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.554 0.160 25086 713 1 3 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.437 0.544 25086 714 1 3 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.048 -1.143 25086 715 1 3 . 1 1 -6 -6 MET N N -6 122.431 122.431 118.409 4.022 25086 716 1 3 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.379 0.074 25086 717 1 3 . 1 1 -6 -6 MET C C -6 176.091 176.091 174.272 1.819 25086 718 1 3 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.867 -0.209 25086 719 1 3 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.370 1.582 25086 720 1 3 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.547 -0.027 25086 721 1 3 . 1 1 -5 -5 SER N N -5 116.616 116.616 112.874 3.742 25086 722 1 3 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.588 -0.144 25086 723 1 3 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.816 -1.354 25086 724 1 3 . 1 1 -5 -5 SER CA C -5 58.379 58.379 59.094 -0.715 25086 725 1 3 . 1 1 -5 -5 SER CB C -5 63.989 63.989 65.042 -1.053 25086 726 1 3 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.358 0.052 25086 727 1 3 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.068 0.252 25086 728 1 3 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.581 0.021 25086 729 1 3 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.571 -0.373 25086 730 1 3 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 55.679 -0.899 25086 731 1 3 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.425 0.692 25086 732 1 3 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.671 -0.242 25086 733 1 3 . 1 1 -3 -3 ASP N N -3 119.793 119.793 116.991 2.802 25086 734 1 3 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.575 -0.011 25086 735 1 3 . 1 1 -3 -3 ASP C C -3 176.246 176.246 175.900 0.346 25086 736 1 3 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 53.177 1.552 25086 737 1 3 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.157 1.037 25086 738 1 3 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.107 0.099 25086 739 1 3 . 1 1 -2 -2 ASP N N -2 120.270 120.270 120.805 -0.535 25086 740 1 3 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.367 0.200 25086 741 1 3 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.662 0.391 25086 742 1 3 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 56.738 -2.000 25086 743 1 3 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.115 0.129 25086 744 1 3 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.734 0.436 25086 745 1 3 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.367 -0.088 25086 746 1 3 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.625 -0.035 25086 747 1 3 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.475 0.831 25086 748 1 3 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.891 -0.476 25086 749 1 3 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.826 -0.722 25086 750 1 3 . 1 1 -1 -1 ASP H H -1 8.225 8.225 8.391 -0.166 25086 751 1 3 . 1 1 0 0 LYS N N 0 121.408 121.408 123.479 -2.071 25086 752 1 3 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.674 -0.289 25086 753 1 3 . 1 1 0 0 LYS C C 0 177.017 177.017 176.818 0.199 25086 754 1 3 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.661 0.436 25086 755 1 3 . 1 1 0 0 LYS CB C 0 32.969 32.969 31.934 1.035 25086 756 1 3 . 1 1 0 0 LYS H H 0 8.251 8.251 8.275 -0.024 25086 757 1 3 . 1 1 1 1 GLY N N 1 109.054 109.054 110.702 -1.648 25086 758 1 3 . 1 1 1 1 GLY C C 1 173.630 173.630 174.696 -1.066 25086 759 1 3 . 1 1 1 1 GLY CA C 1 45.285 45.285 46.895 -1.610 25086 760 1 3 . 1 1 1 1 GLY H H 1 8.370 8.370 9.108 -0.738 25086 761 1 3 . 1 1 2 2 ILE N N 2 120.862 120.862 122.445 -1.583 25086 762 1 3 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.083 0.214 25086 763 1 3 . 1 1 2 2 ILE C C 2 175.993 175.993 174.469 1.524 25086 764 1 3 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.557 0.275 25086 765 1 3 . 1 1 2 2 ILE CB C 2 39.733 39.733 36.170 3.563 25086 766 1 3 . 1 1 2 2 ILE H H 2 8.579 8.579 8.009 0.570 25086 767 1 3 . 1 1 3 3 HIS N N 3 124.483 124.483 124.739 -0.256 25086 768 1 3 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.954 0.280 25086 769 1 3 . 1 1 3 3 HIS C C 3 174.751 174.751 174.214 0.537 25086 770 1 3 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.393 -0.108 25086 771 1 3 . 1 1 3 3 HIS CB C 3 30.076 30.076 31.052 -0.977 25086 772 1 3 . 1 1 3 3 HIS H H 3 8.920 8.920 7.926 0.994 25086 773 1 3 . 1 1 4 4 SER N N 4 117.417 117.417 117.617 -0.200 25086 774 1 3 . 1 1 4 4 SER HA H 4 4.712 4.712 4.822 -0.110 25086 775 1 3 . 1 1 4 4 SER C C 4 174.112 174.112 173.141 0.971 25086 776 1 3 . 1 1 4 4 SER CA C 4 56.102 56.102 57.636 -1.534 25086 777 1 3 . 1 1 4 4 SER CB C 4 64.679 64.679 64.463 0.216 25086 778 1 3 . 1 1 4 4 SER H H 4 8.925 8.925 8.755 0.170 25086 779 1 3 . 1 1 5 5 SER N N 5 114.372 114.372 116.260 -1.888 25086 780 1 3 . 1 1 5 5 SER HA H 5 5.390 5.390 4.726 0.664 25086 781 1 3 . 1 1 5 5 SER C C 5 173.075 173.075 172.507 0.568 25086 782 1 3 . 1 1 5 5 SER CA C 5 57.153 57.153 58.064 -0.911 25086 783 1 3 . 1 1 5 5 SER CB C 5 65.752 65.752 64.763 0.989 25086 784 1 3 . 1 1 5 5 SER H H 5 8.623 8.623 8.120 0.503 25086 785 1 3 . 1 1 6 6 VAL N N 6 121.311 121.311 120.848 0.463 25086 786 1 3 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.325 -0.156 25086 787 1 3 . 1 1 6 6 VAL C C 6 175.872 175.872 176.008 -0.136 25086 788 1 3 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.153 0.593 25086 789 1 3 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.563 -1.066 25086 790 1 3 . 1 1 6 6 VAL H H 6 8.384 8.384 8.515 -0.131 25086 791 1 3 . 1 1 7 7 LYS N N 7 128.341 128.341 128.100 0.241 25086 792 1 3 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.852 0.113 25086 793 1 3 . 1 1 7 7 LYS C C 7 174.655 174.655 174.812 -0.157 25086 794 1 3 . 1 1 7 7 LYS CA C 7 53.609 53.609 54.276 -0.667 25086 795 1 3 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.728 0.846 25086 796 1 3 . 1 1 7 7 LYS H H 7 9.042 9.042 8.988 0.054 25086 797 1 3 . 1 1 8 8 ARG N N 8 120.527 120.527 121.337 -0.810 25086 798 1 3 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.604 -0.240 25086 799 1 3 . 1 1 8 8 ARG C C 8 174.148 174.148 175.364 -1.216 25086 800 1 3 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.187 -0.011 25086 801 1 3 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.144 0.362 25086 802 1 3 . 1 1 8 8 ARG H H 8 8.791 8.791 8.644 0.147 25086 803 1 3 . 1 1 9 9 TRP N N 9 131.164 131.164 130.489 0.675 25086 804 1 3 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.624 0.028 25086 805 1 3 . 1 1 9 9 TRP C C 9 176.351 176.351 176.069 0.282 25086 806 1 3 . 1 1 9 9 TRP CA C 9 53.037 53.037 55.016 -1.979 25086 807 1 3 . 1 1 9 9 TRP CB C 9 28.066 28.066 28.816 -0.750 25086 808 1 3 . 1 1 9 9 TRP H H 9 8.994 8.994 8.984 0.010 25086 809 1 3 . 1 1 10 10 GLY N N 10 117.757 117.757 118.518 -0.761 25086 810 1 3 . 1 1 10 10 GLY C C 10 173.798 173.798 174.114 -0.316 25086 811 1 3 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.366 0.958 25086 812 1 3 . 1 1 10 10 GLY H H 10 9.134 9.134 8.052 1.082 25086 813 1 3 . 1 1 11 11 ASN N N 11 125.396 125.396 123.988 1.408 25086 814 1 3 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.969 -0.200 25086 815 1 3 . 1 1 11 11 ASN C C 11 175.190 175.190 174.122 1.068 25086 816 1 3 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.761 -0.019 25086 817 1 3 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.323 -0.013 25086 818 1 3 . 1 1 11 11 ASN H H 11 8.667 8.667 8.612 0.055 25086 819 1 3 . 1 1 12 12 SER N N 12 115.939 115.939 116.389 -0.450 25086 820 1 3 . 1 1 12 12 SER HA H 12 5.038 5.038 4.905 0.133 25086 821 1 3 . 1 1 12 12 SER CA C 12 56.293 56.293 55.764 0.528 25086 822 1 3 . 1 1 12 12 SER CB C 12 65.254 65.254 64.952 0.302 25086 823 1 3 . 1 1 12 12 SER H H 12 7.798 7.798 7.662 0.136 25086 824 1 3 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.862 0.001 25086 825 1 3 . 1 1 13 13 PRO C C 13 177.322 177.322 176.038 1.284 25086 826 1 3 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.648 -0.519 25086 827 1 3 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.875 0.743 25086 828 1 3 . 1 1 14 14 ALA N N 14 125.096 125.096 129.160 -4.064 25086 829 1 3 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.927 0.362 25086 830 1 3 . 1 1 14 14 ALA C C 14 174.888 174.888 175.348 -0.460 25086 831 1 3 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.376 0.394 25086 832 1 3 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.649 1.622 25086 833 1 3 . 1 1 14 14 ALA H H 14 9.419 9.419 9.146 0.273 25086 834 1 3 . 1 1 15 15 VAL N N 15 116.316 116.316 119.800 -3.484 25086 835 1 3 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.635 0.106 25086 836 1 3 . 1 1 15 15 VAL C C 15 175.375 175.375 175.866 -0.491 25086 837 1 3 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.372 -0.540 25086 838 1 3 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.691 1.850 25086 839 1 3 . 1 1 15 15 VAL H H 15 8.491 8.491 8.338 0.153 25086 840 1 3 . 1 1 16 16 ARG N N 16 125.595 125.595 125.325 0.270 25086 841 1 3 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.441 0.292 25086 842 1 3 . 1 1 16 16 ARG C C 16 176.071 176.071 175.646 0.425 25086 843 1 3 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.565 0.639 25086 844 1 3 . 1 1 16 16 ARG CB C 16 30.493 30.493 31.020 -0.527 25086 845 1 3 . 1 1 16 16 ARG H H 16 8.812 8.812 8.629 0.183 25086 846 1 3 . 1 1 17 17 ILE N N 17 123.572 123.572 126.949 -3.377 25086 847 1 3 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.299 0.096 25086 848 1 3 . 1 1 17 17 ILE CA C 17 56.591 56.591 58.092 -1.501 25086 849 1 3 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.370 0.410 25086 850 1 3 . 1 1 17 17 ILE H H 17 8.020 8.020 8.385 -0.365 25086 851 1 3 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.397 -0.006 25086 852 1 3 . 1 1 18 18 PRO C C 18 177.860 177.860 177.199 0.661 25086 853 1 3 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.469 0.399 25086 854 1 3 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.563 0.273 25086 855 1 3 . 1 1 19 19 ALA N N 19 128.602 128.602 128.363 0.239 25086 856 1 3 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.048 -0.110 25086 857 1 3 . 1 1 19 19 ALA C C 19 180.059 180.059 179.527 0.532 25086 858 1 3 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.386 0.489 25086 859 1 3 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.454 -0.155 25086 860 1 3 . 1 1 19 19 ALA H H 19 8.975 8.975 8.694 0.281 25086 861 1 3 . 1 1 20 20 THR N N 20 108.352 108.352 115.174 -6.822 25086 862 1 3 . 1 1 20 20 THR HA H 20 4.041 4.041 4.036 0.005 25086 863 1 3 . 1 1 20 20 THR C C 20 177.381 177.381 176.188 1.193 25086 864 1 3 . 1 1 20 20 THR CA C 20 64.688 64.688 66.750 -2.062 25086 865 1 3 . 1 1 20 20 THR CB C 20 68.155 68.155 68.344 -0.189 25086 866 1 3 . 1 1 20 20 THR H H 20 8.263 8.263 8.206 0.057 25086 867 1 3 . 1 1 21 21 LEU N N 21 121.199 121.199 121.283 -0.084 25086 868 1 3 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.271 -0.045 25086 869 1 3 . 1 1 21 21 LEU C C 21 178.002 178.002 178.429 -0.427 25086 870 1 3 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.076 -0.133 25086 871 1 3 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.192 -0.160 25086 872 1 3 . 1 1 21 21 LEU H H 21 7.040 7.040 7.838 -0.798 25086 873 1 3 . 1 1 22 22 MET N N 22 117.150 117.150 118.865 -1.715 25086 874 1 3 . 1 1 22 22 MET HA H 22 4.019 4.019 3.941 0.078 25086 875 1 3 . 1 1 22 22 MET C C 22 178.951 178.951 178.775 0.176 25086 876 1 3 . 1 1 22 22 MET CA C 22 57.881 57.881 58.514 -0.633 25086 877 1 3 . 1 1 22 22 MET CB C 22 30.803 30.803 31.133 -0.330 25086 878 1 3 . 1 1 22 22 MET H H 22 7.415 7.415 8.267 -0.852 25086 879 1 3 . 1 1 23 23 GLN N N 23 116.690 116.690 117.145 -0.455 25086 880 1 3 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.054 0.106 25086 881 1 3 . 1 1 23 23 GLN C C 23 179.589 179.589 178.905 0.684 25086 882 1 3 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.551 -0.036 25086 883 1 3 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.428 -0.140 25086 884 1 3 . 1 1 23 23 GLN H H 23 7.953 7.953 8.092 -0.139 25086 885 1 3 . 1 1 24 24 ALA N N 24 122.104 122.104 122.126 -0.022 25086 886 1 3 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.178 -0.070 25086 887 1 3 . 1 1 24 24 ALA C C 24 179.010 179.010 178.643 0.367 25086 888 1 3 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.476 0.269 25086 889 1 3 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.808 -0.089 25086 890 1 3 . 1 1 24 24 ALA H H 24 7.617 7.617 7.453 0.164 25086 891 1 3 . 1 1 25 25 LEU N N 25 115.630 115.630 115.427 0.203 25086 892 1 3 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.483 -0.177 25086 893 1 3 . 1 1 25 25 LEU C C 25 175.862 175.862 176.003 -0.141 25086 894 1 3 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.304 -0.295 25086 895 1 3 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.164 1.453 25086 896 1 3 . 1 1 25 25 LEU H H 25 7.381 7.381 7.812 -0.431 25086 897 1 3 . 1 1 26 26 ASN N N 26 118.019 118.019 113.672 4.347 25086 898 1 3 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.409 -0.120 25086 899 1 3 . 1 1 26 26 ASN C C 26 173.478 173.478 174.569 -1.091 25086 900 1 3 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.189 0.004 25086 901 1 3 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.217 0.141 25086 902 1 3 . 1 1 26 26 ASN H H 26 7.966 7.966 7.490 0.476 25086 903 1 3 . 1 1 27 27 LEU N N 27 118.539 118.539 113.446 5.093 25086 904 1 3 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.749 -0.166 25086 905 1 3 . 1 1 27 27 LEU C C 27 174.995 174.995 175.169 -0.174 25086 906 1 3 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.822 -0.082 25086 907 1 3 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.089 2.076 25086 908 1 3 . 1 1 27 27 LEU H H 27 8.023 8.023 8.019 0.004 25086 909 1 3 . 1 1 28 28 ASN N N 28 121.416 121.416 115.527 5.889 25086 910 1 3 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.800 0.080 25086 911 1 3 . 1 1 28 28 ASN C C 28 174.980 174.980 174.724 0.256 25086 912 1 3 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.425 -0.081 25086 913 1 3 . 1 1 28 28 ASN CB C 28 42.553 42.553 40.770 1.783 25086 914 1 3 . 1 1 28 28 ASN H H 28 8.889 8.889 7.998 0.891 25086 915 1 3 . 1 1 29 29 ILE N N 29 120.022 120.022 120.644 -0.622 25086 916 1 3 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.048 -0.721 25086 917 1 3 . 1 1 29 29 ILE C C 29 176.499 176.499 176.388 0.111 25086 918 1 3 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.911 0.333 25086 919 1 3 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.415 -1.149 25086 920 1 3 . 1 1 29 29 ILE H H 29 8.396 8.396 8.308 0.088 25086 921 1 3 . 1 1 30 30 ASP N N 30 121.326 121.326 123.907 -2.581 25086 922 1 3 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.430 -0.029 25086 923 1 3 . 1 1 30 30 ASP C C 30 175.994 175.994 175.026 0.968 25086 924 1 3 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.334 2.609 25086 925 1 3 . 1 1 30 30 ASP CB C 30 38.815 38.815 41.016 -2.201 25086 926 1 3 . 1 1 30 30 ASP H H 30 9.114 9.114 8.582 0.532 25086 927 1 3 . 1 1 31 31 ASP N N 31 121.764 121.764 119.266 2.498 25086 928 1 3 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.677 0.016 25086 929 1 3 . 1 1 31 31 ASP C C 31 175.904 175.904 176.101 -0.197 25086 930 1 3 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.513 0.779 25086 931 1 3 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.371 -1.195 25086 932 1 3 . 1 1 31 31 ASP H H 31 8.056 8.056 7.770 0.286 25086 933 1 3 . 1 1 32 32 GLU N N 32 120.895 120.895 126.197 -5.302 25086 934 1 3 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.368 0.328 25086 935 1 3 . 1 1 32 32 GLU C C 32 176.717 176.717 175.054 1.663 25086 936 1 3 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.523 -0.114 25086 937 1 3 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.673 0.631 25086 938 1 3 . 1 1 32 32 GLU H H 32 8.683 8.683 8.695 -0.012 25086 939 1 3 . 1 1 33 33 VAL N N 33 114.605 114.605 118.924 -4.319 25086 940 1 3 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.579 0.427 25086 941 1 3 . 1 1 33 33 VAL C C 33 173.447 173.447 174.581 -1.134 25086 942 1 3 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.339 -0.911 25086 943 1 3 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.284 0.480 25086 944 1 3 . 1 1 33 33 VAL H H 33 8.423 8.423 8.081 0.342 25086 945 1 3 . 1 1 34 34 LYS N N 34 122.276 122.276 124.784 -2.508 25086 946 1 3 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.650 0.117 25086 947 1 3 . 1 1 34 34 LYS C C 34 175.062 175.062 175.235 -0.173 25086 948 1 3 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.295 -0.643 25086 949 1 3 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.414 0.443 25086 950 1 3 . 1 1 34 34 LYS H H 34 8.989 8.989 8.436 0.553 25086 951 1 3 . 1 1 35 35 ILE N N 35 124.021 124.021 124.763 -0.742 25086 952 1 3 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.967 0.087 25086 953 1 3 . 1 1 35 35 ILE C C 35 174.111 174.111 175.684 -1.573 25086 954 1 3 . 1 1 35 35 ILE CA C 35 60.238 60.238 59.688 0.550 25086 955 1 3 . 1 1 35 35 ILE CB C 35 39.989 39.989 39.401 0.588 25086 956 1 3 . 1 1 35 35 ILE H H 35 8.717 8.717 8.450 0.267 25086 957 1 3 . 1 1 36 36 ASP N N 36 126.126 126.126 128.816 -2.690 25086 958 1 3 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.829 0.225 25086 959 1 3 . 1 1 36 36 ASP C C 36 173.496 173.496 174.038 -0.542 25086 960 1 3 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.881 -0.638 25086 961 1 3 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.189 1.091 25086 962 1 3 . 1 1 36 36 ASP H H 36 8.948 8.948 8.808 0.140 25086 963 1 3 . 1 1 37 37 LEU N N 37 123.664 123.664 125.673 -2.009 25086 964 1 3 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.346 -0.145 25086 965 1 3 . 1 1 37 37 LEU C C 37 175.865 175.865 176.155 -0.290 25086 966 1 3 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.788 0.273 25086 967 1 3 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.689 1.617 25086 968 1 3 . 1 1 37 37 LEU H H 37 8.629 8.629 8.409 0.220 25086 969 1 3 . 1 1 38 38 VAL N N 38 126.795 126.795 127.054 -0.259 25086 970 1 3 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.233 -0.044 25086 971 1 3 . 1 1 38 38 VAL C C 38 175.379 175.379 174.835 0.544 25086 972 1 3 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.494 -0.014 25086 973 1 3 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.124 0.978 25086 974 1 3 . 1 1 38 38 VAL H H 38 8.772 8.772 8.647 0.125 25086 975 1 3 . 1 1 39 39 ASP N N 39 127.355 127.355 129.009 -1.654 25086 976 1 3 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.240 -0.019 25086 977 1 3 . 1 1 39 39 ASP C C 39 175.944 175.944 177.140 -1.196 25086 978 1 3 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.538 0.686 25086 979 1 3 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.627 -0.621 25086 980 1 3 . 1 1 39 39 ASP H H 39 9.154 9.154 9.093 0.061 25086 981 1 3 . 1 1 40 40 GLY N N 40 103.124 103.124 105.090 -1.966 25086 982 1 3 . 1 1 40 40 GLY C C 40 172.842 172.842 174.430 -1.588 25086 983 1 3 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.565 0.497 25086 984 1 3 . 1 1 40 40 GLY H H 40 8.425 8.425 8.501 -0.076 25086 985 1 3 . 1 1 41 41 LYS N N 41 117.155 117.155 121.457 -4.302 25086 986 1 3 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.543 0.202 25086 987 1 3 . 1 1 41 41 LYS C C 41 174.385 174.385 175.577 -1.192 25086 988 1 3 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.434 0.056 25086 989 1 3 . 1 1 41 41 LYS CB C 41 35.244 35.244 33.498 1.746 25086 990 1 3 . 1 1 41 41 LYS H H 41 7.676 7.676 7.582 0.094 25086 991 1 3 . 1 1 42 42 LEU N N 42 119.938 119.938 125.003 -5.065 25086 992 1 3 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.458 0.608 25086 993 1 3 . 1 1 42 42 LEU C C 42 174.895 174.895 176.537 -1.642 25086 994 1 3 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.369 -0.809 25086 995 1 3 . 1 1 42 42 LEU CB C 42 43.448 43.448 41.797 1.651 25086 996 1 3 . 1 1 42 42 LEU H H 42 8.585 8.585 8.632 -0.047 25086 997 1 3 . 1 1 43 43 ILE N N 43 123.764 123.764 125.934 -2.170 25086 998 1 3 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.175 0.750 25086 999 1 3 . 1 1 43 43 ILE C C 43 175.893 175.893 174.956 0.937 25086 1000 1 3 . 1 1 43 43 ILE CA C 43 59.287 59.287 60.272 -0.985 25086 1001 1 3 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.233 0.945 25086 1002 1 3 . 1 1 43 43 ILE H H 43 9.075 9.075 8.924 0.151 25086 1003 1 3 . 1 1 44 44 ILE N N 44 126.815 126.815 127.052 -0.237 25086 1004 1 3 . 1 1 44 44 ILE HA H 44 4.956 4.956 5.044 -0.088 25086 1005 1 3 . 1 1 44 44 ILE C C 44 174.230 174.230 175.784 -1.554 25086 1006 1 3 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.315 1.903 25086 1007 1 3 . 1 1 44 44 ILE CB C 44 39.161 39.161 39.825 -0.664 25086 1008 1 3 . 1 1 44 44 ILE H H 44 9.411 9.411 8.280 1.131 25086 1009 1 3 . 1 1 45 45 GLU N N 45 126.742 126.742 129.576 -2.834 25086 1010 1 3 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.970 0.204 25086 1011 1 3 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.689 -0.738 25086 1012 1 3 . 1 1 45 45 GLU CB C 45 33.866 33.866 33.040 0.826 25086 1013 1 3 . 1 1 45 45 GLU H H 45 8.929 8.929 8.470 0.459 25086 1014 1 3 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.582 -0.030 25086 1015 1 3 . 1 1 46 46 PRO C C 46 175.856 175.856 176.200 -0.344 25086 1016 1 3 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.200 1.015 25086 1017 1 3 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.795 -0.357 25086 1018 1 3 . 1 1 47 47 VAL N N 47 123.846 123.846 121.983 1.863 25086 1019 1 3 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.251 -0.234 25086 1020 1 3 . 1 1 47 47 VAL C C 47 175.776 175.776 174.831 0.945 25086 1021 1 3 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.167 1.489 25086 1022 1 3 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.594 0.677 25086 1023 1 3 . 1 1 47 47 VAL H H 47 7.893 7.893 8.093 -0.200 25086 1024 1 3 . 1 1 48 48 ARG N N 48 126.674 126.674 126.413 0.261 25086 1025 1 3 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.502 -0.096 25086 1026 1 3 . 1 1 48 48 ARG C C 48 175.887 175.887 176.091 -0.204 25086 1027 1 3 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.404 0.116 25086 1028 1 3 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.967 -0.166 25086 1029 1 3 . 1 1 48 48 ARG H H 48 8.646 8.646 7.833 0.813 25086 1030 1 3 . 1 1 49 49 LYS N N 49 124.176 124.176 124.471 -0.295 25086 1031 1 3 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.422 -0.063 25086 1032 1 3 . 1 1 49 49 LYS C C 49 175.579 175.579 176.367 -0.788 25086 1033 1 3 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.032 0.138 25086 1034 1 3 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.271 1.947 25086 1035 1 3 . 1 1 49 49 LYS H H 49 8.563 8.563 8.512 0.051 25086 1036 1 4 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 5.002 -0.395 25086 1037 1 4 . 1 1 -15 -15 HIS C C -15 174.805 174.805 175.404 -0.599 25086 1038 1 4 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.606 -0.508 25086 1039 1 4 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.991 -0.611 25086 1040 1 4 . 1 1 -14 -14 LYS N N -14 122.750 122.750 119.168 3.582 25086 1041 1 4 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.377 -0.134 25086 1042 1 4 . 1 1 -14 -14 LYS C C -14 176.150 176.150 176.043 0.107 25086 1043 1 4 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 57.041 -0.693 25086 1044 1 4 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 33.446 -0.461 25086 1045 1 4 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.275 0.079 25086 1046 1 4 . 1 1 -13 -13 VAL N N -13 121.546 121.546 113.623 7.923 25086 1047 1 4 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.335 -0.357 25086 1048 1 4 . 1 1 -13 -13 VAL C C -13 175.611 175.611 174.986 0.625 25086 1049 1 4 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 61.026 1.123 25086 1050 1 4 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 33.765 -0.950 25086 1051 1 4 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.494 0.604 25086 1052 1 4 . 1 1 -12 -12 HIS N N -12 123.329 123.329 115.642 7.687 25086 1053 1 4 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 57.677 -2.151 25086 1054 1 4 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 28.751 1.689 25086 1055 1 4 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.475 -0.037 25086 1056 1 4 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.284 0.322 25086 1057 1 4 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.626 -0.912 25086 1058 1 4 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 57.842 -1.861 25086 1059 1 4 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.458 -0.553 25086 1060 1 4 . 1 1 -6 -6 MET N N -6 122.431 122.431 118.766 3.665 25086 1061 1 4 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.639 -0.186 25086 1062 1 4 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.693 0.398 25086 1063 1 4 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.538 1.120 25086 1064 1 4 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.410 1.542 25086 1065 1 4 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.101 0.419 25086 1066 1 4 . 1 1 -5 -5 SER N N -5 116.616 116.616 117.591 -0.975 25086 1067 1 4 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.729 -0.285 25086 1068 1 4 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.357 0.105 25086 1069 1 4 . 1 1 -5 -5 SER CA C -5 58.379 58.379 58.393 -0.014 25086 1070 1 4 . 1 1 -5 -5 SER CB C -5 63.989 63.989 64.895 -0.906 25086 1071 1 4 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.643 -0.233 25086 1072 1 4 . 1 1 -4 -4 ASP N N -4 122.320 122.320 121.352 0.968 25086 1073 1 4 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.438 0.164 25086 1074 1 4 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.865 -0.667 25086 1075 1 4 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.703 -1.923 25086 1076 1 4 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.241 -0.124 25086 1077 1 4 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.402 0.027 25086 1078 1 4 . 1 1 -3 -3 ASP N N -3 119.793 119.793 116.290 3.503 25086 1079 1 4 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.582 -0.018 25086 1080 1 4 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.438 -0.192 25086 1081 1 4 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 54.742 -0.013 25086 1082 1 4 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.160 0.034 25086 1083 1 4 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.151 0.055 25086 1084 1 4 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.907 1.363 25086 1085 1 4 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.537 0.030 25086 1086 1 4 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.564 -0.511 25086 1087 1 4 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.277 -0.539 25086 1088 1 4 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.756 -0.512 25086 1089 1 4 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.798 0.372 25086 1090 1 4 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.997 -0.718 25086 1091 1 4 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.759 -0.169 25086 1092 1 4 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.876 0.430 25086 1093 1 4 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.160 0.255 25086 1094 1 4 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.293 0.811 25086 1095 1 4 . 1 1 -1 -1 ASP H H -1 8.225 8.225 8.267 -0.042 25086 1096 1 4 . 1 1 0 0 LYS N N 0 121.408 121.408 124.653 -3.245 25086 1097 1 4 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.186 0.199 25086 1098 1 4 . 1 1 0 0 LYS C C 0 177.017 177.017 177.122 -0.105 25086 1099 1 4 . 1 1 0 0 LYS CA C 0 56.097 56.097 57.653 -1.556 25086 1100 1 4 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.909 0.060 25086 1101 1 4 . 1 1 0 0 LYS H H 0 8.251 8.251 8.043 0.208 25086 1102 1 4 . 1 1 1 1 GLY N N 1 109.054 109.054 107.167 1.887 25086 1103 1 4 . 1 1 1 1 GLY C C 1 173.630 173.630 173.075 0.555 25086 1104 1 4 . 1 1 1 1 GLY CA C 1 45.285 45.285 43.834 1.451 25086 1105 1 4 . 1 1 1 1 GLY H H 1 8.370 8.370 7.751 0.619 25086 1106 1 4 . 1 1 2 2 ILE N N 2 120.862 120.862 122.289 -1.427 25086 1107 1 4 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.087 0.210 25086 1108 1 4 . 1 1 2 2 ILE C C 2 175.993 175.993 175.566 0.427 25086 1109 1 4 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.293 -0.461 25086 1110 1 4 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.034 1.699 25086 1111 1 4 . 1 1 2 2 ILE H H 2 8.579 8.579 8.109 0.470 25086 1112 1 4 . 1 1 3 3 HIS N N 3 124.483 124.483 125.676 -1.193 25086 1113 1 4 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.710 0.524 25086 1114 1 4 . 1 1 3 3 HIS C C 3 174.751 174.751 173.949 0.802 25086 1115 1 4 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.930 -0.645 25086 1116 1 4 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.229 -0.153 25086 1117 1 4 . 1 1 3 3 HIS H H 3 8.920 8.920 8.248 0.672 25086 1118 1 4 . 1 1 4 4 SER N N 4 117.417 117.417 119.652 -2.235 25086 1119 1 4 . 1 1 4 4 SER HA H 4 4.712 4.712 4.714 -0.002 25086 1120 1 4 . 1 1 4 4 SER C C 4 174.112 174.112 172.994 1.118 25086 1121 1 4 . 1 1 4 4 SER CA C 4 56.102 56.102 57.448 -1.346 25086 1122 1 4 . 1 1 4 4 SER CB C 4 64.679 64.679 65.435 -0.756 25086 1123 1 4 . 1 1 4 4 SER H H 4 8.925 8.925 8.880 0.045 25086 1124 1 4 . 1 1 5 5 SER N N 5 114.372 114.372 115.998 -1.626 25086 1125 1 4 . 1 1 5 5 SER HA H 5 5.390 5.390 4.522 0.868 25086 1126 1 4 . 1 1 5 5 SER C C 5 173.075 173.075 173.061 0.014 25086 1127 1 4 . 1 1 5 5 SER CA C 5 57.153 57.153 58.404 -1.251 25086 1128 1 4 . 1 1 5 5 SER CB C 5 65.752 65.752 65.322 0.430 25086 1129 1 4 . 1 1 5 5 SER H H 5 8.623 8.623 8.201 0.422 25086 1130 1 4 . 1 1 6 6 VAL N N 6 121.311 121.311 123.711 -2.400 25086 1131 1 4 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.133 0.036 25086 1132 1 4 . 1 1 6 6 VAL C C 6 175.872 175.872 175.853 0.019 25086 1133 1 4 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.571 0.175 25086 1134 1 4 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.775 -0.278 25086 1135 1 4 . 1 1 6 6 VAL H H 6 8.384 8.384 8.465 -0.081 25086 1136 1 4 . 1 1 7 7 LYS N N 7 128.341 128.341 129.447 -1.106 25086 1137 1 4 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.720 0.245 25086 1138 1 4 . 1 1 7 7 LYS C C 7 174.655 174.655 174.824 -0.169 25086 1139 1 4 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.623 -0.014 25086 1140 1 4 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.061 1.513 25086 1141 1 4 . 1 1 7 7 LYS H H 7 9.042 9.042 8.387 0.655 25086 1142 1 4 . 1 1 8 8 ARG N N 8 120.527 120.527 121.230 -0.703 25086 1143 1 4 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.486 -0.122 25086 1144 1 4 . 1 1 8 8 ARG C C 8 174.148 174.148 175.500 -1.352 25086 1145 1 4 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.967 0.209 25086 1146 1 4 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.481 0.025 25086 1147 1 4 . 1 1 8 8 ARG H H 8 8.791 8.791 8.656 0.135 25086 1148 1 4 . 1 1 9 9 TRP N N 9 131.164 131.164 130.278 0.886 25086 1149 1 4 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.723 -0.071 25086 1150 1 4 . 1 1 9 9 TRP C C 9 176.351 176.351 175.916 0.435 25086 1151 1 4 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.886 -1.849 25086 1152 1 4 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.475 -1.409 25086 1153 1 4 . 1 1 9 9 TRP H H 9 8.994 8.994 9.101 -0.107 25086 1154 1 4 . 1 1 10 10 GLY N N 10 117.757 117.757 118.038 -0.281 25086 1155 1 4 . 1 1 10 10 GLY C C 10 173.798 173.798 173.968 -0.170 25086 1156 1 4 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.226 1.098 25086 1157 1 4 . 1 1 10 10 GLY H H 10 9.134 9.134 8.218 0.916 25086 1158 1 4 . 1 1 11 11 ASN N N 11 125.396 125.396 123.236 2.160 25086 1159 1 4 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.951 -0.182 25086 1160 1 4 . 1 1 11 11 ASN C C 11 175.190 175.190 174.241 0.949 25086 1161 1 4 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.679 0.063 25086 1162 1 4 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.512 0.798 25086 1163 1 4 . 1 1 11 11 ASN H H 11 8.667 8.667 8.661 0.006 25086 1164 1 4 . 1 1 12 12 SER N N 12 115.939 115.939 117.108 -1.169 25086 1165 1 4 . 1 1 12 12 SER HA H 12 5.038 5.038 4.916 0.122 25086 1166 1 4 . 1 1 12 12 SER CA C 12 56.293 56.293 55.811 0.482 25086 1167 1 4 . 1 1 12 12 SER CB C 12 65.254 65.254 64.661 0.593 25086 1168 1 4 . 1 1 12 12 SER H H 12 7.798 7.798 7.709 0.089 25086 1169 1 4 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.665 0.198 25086 1170 1 4 . 1 1 13 13 PRO C C 13 177.322 177.322 175.993 1.329 25086 1171 1 4 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.700 -0.571 25086 1172 1 4 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.936 0.682 25086 1173 1 4 . 1 1 14 14 ALA N N 14 125.096 125.096 128.579 -3.483 25086 1174 1 4 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.961 0.328 25086 1175 1 4 . 1 1 14 14 ALA C C 14 174.888 174.888 175.411 -0.523 25086 1176 1 4 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.061 0.709 25086 1177 1 4 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.807 1.464 25086 1178 1 4 . 1 1 14 14 ALA H H 14 9.419 9.419 9.154 0.265 25086 1179 1 4 . 1 1 15 15 VAL N N 15 116.316 116.316 123.101 -6.785 25086 1180 1 4 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.254 0.487 25086 1181 1 4 . 1 1 15 15 VAL C C 15 175.375 175.375 175.962 -0.587 25086 1182 1 4 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.292 -1.460 25086 1183 1 4 . 1 1 15 15 VAL CB C 15 35.541 35.541 32.787 2.754 25086 1184 1 4 . 1 1 15 15 VAL H H 15 8.491 8.491 8.587 -0.096 25086 1185 1 4 . 1 1 16 16 ARG N N 16 125.595 125.595 128.500 -2.905 25086 1186 1 4 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.295 0.438 25086 1187 1 4 . 1 1 16 16 ARG C C 16 176.071 176.071 175.664 0.407 25086 1188 1 4 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.945 0.259 25086 1189 1 4 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.403 0.090 25086 1190 1 4 . 1 1 16 16 ARG H H 16 8.812 8.812 8.571 0.241 25086 1191 1 4 . 1 1 17 17 ILE N N 17 123.572 123.572 126.991 -3.419 25086 1192 1 4 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.400 -0.005 25086 1193 1 4 . 1 1 17 17 ILE CA C 17 56.591 56.591 56.968 -0.377 25086 1194 1 4 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.045 0.736 25086 1195 1 4 . 1 1 17 17 ILE H H 17 8.020 8.020 8.336 -0.316 25086 1196 1 4 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.502 -0.111 25086 1197 1 4 . 1 1 18 18 PRO C C 18 177.860 177.860 177.386 0.474 25086 1198 1 4 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.562 0.306 25086 1199 1 4 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.288 0.548 25086 1200 1 4 . 1 1 19 19 ALA N N 19 128.602 128.602 128.087 0.515 25086 1201 1 4 . 1 1 19 19 ALA HA H 19 3.938 3.938 3.986 -0.048 25086 1202 1 4 . 1 1 19 19 ALA C C 19 180.059 180.059 179.643 0.416 25086 1203 1 4 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.120 0.755 25086 1204 1 4 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.138 0.162 25086 1205 1 4 . 1 1 19 19 ALA H H 19 8.975 8.975 8.812 0.163 25086 1206 1 4 . 1 1 20 20 THR N N 20 108.352 108.352 115.332 -6.980 25086 1207 1 4 . 1 1 20 20 THR HA H 20 4.041 4.041 4.048 -0.007 25086 1208 1 4 . 1 1 20 20 THR C C 20 177.381 177.381 176.222 1.159 25086 1209 1 4 . 1 1 20 20 THR CA C 20 64.688 64.688 66.741 -2.053 25086 1210 1 4 . 1 1 20 20 THR CB C 20 68.155 68.155 68.368 -0.213 25086 1211 1 4 . 1 1 20 20 THR H H 20 8.263 8.263 8.198 0.065 25086 1212 1 4 . 1 1 21 21 LEU N N 21 121.199 121.199 121.667 -0.468 25086 1213 1 4 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.184 0.042 25086 1214 1 4 . 1 1 21 21 LEU C C 21 178.002 178.002 178.494 -0.492 25086 1215 1 4 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.501 -0.558 25086 1216 1 4 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.152 -0.120 25086 1217 1 4 . 1 1 21 21 LEU H H 21 7.040 7.040 7.759 -0.719 25086 1218 1 4 . 1 1 22 22 MET N N 22 117.150 117.150 118.494 -1.344 25086 1219 1 4 . 1 1 22 22 MET HA H 22 4.019 4.019 3.974 0.045 25086 1220 1 4 . 1 1 22 22 MET C C 22 178.951 178.951 178.875 0.076 25086 1221 1 4 . 1 1 22 22 MET CA C 22 57.881 57.881 58.658 -0.777 25086 1222 1 4 . 1 1 22 22 MET CB C 22 30.803 30.803 31.220 -0.417 25086 1223 1 4 . 1 1 22 22 MET H H 22 7.415 7.415 8.072 -0.657 25086 1224 1 4 . 1 1 23 23 GLN N N 23 116.690 116.690 117.852 -1.162 25086 1225 1 4 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.090 0.070 25086 1226 1 4 . 1 1 23 23 GLN C C 23 179.589 179.589 178.493 1.096 25086 1227 1 4 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.460 0.055 25086 1228 1 4 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.433 -0.145 25086 1229 1 4 . 1 1 23 23 GLN H H 23 7.953 7.953 8.028 -0.075 25086 1230 1 4 . 1 1 24 24 ALA N N 24 122.104 122.104 121.469 0.635 25086 1231 1 4 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.162 -0.054 25086 1232 1 4 . 1 1 24 24 ALA C C 24 179.010 179.010 178.762 0.248 25086 1233 1 4 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.468 0.277 25086 1234 1 4 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.221 -0.502 25086 1235 1 4 . 1 1 24 24 ALA H H 24 7.617 7.617 7.672 -0.055 25086 1236 1 4 . 1 1 25 25 LEU N N 25 115.630 115.630 116.491 -0.861 25086 1237 1 4 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.368 -0.062 25086 1238 1 4 . 1 1 25 25 LEU C C 25 175.862 175.862 176.325 -0.463 25086 1239 1 4 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.691 -0.682 25086 1240 1 4 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.719 0.897 25086 1241 1 4 . 1 1 25 25 LEU H H 25 7.381 7.381 7.902 -0.521 25086 1242 1 4 . 1 1 26 26 ASN N N 26 118.019 118.019 117.479 0.540 25086 1243 1 4 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.512 -0.223 25086 1244 1 4 . 1 1 26 26 ASN C C 26 173.478 173.478 173.958 -0.480 25086 1245 1 4 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.047 0.146 25086 1246 1 4 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.328 0.030 25086 1247 1 4 . 1 1 26 26 ASN H H 26 7.966 7.966 7.641 0.325 25086 1248 1 4 . 1 1 27 27 LEU N N 27 118.539 118.539 115.534 3.005 25086 1249 1 4 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.882 -0.299 25086 1250 1 4 . 1 1 27 27 LEU C C 27 174.995 174.995 174.310 0.685 25086 1251 1 4 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.536 0.204 25086 1252 1 4 . 1 1 27 27 LEU CB C 27 46.165 46.165 45.803 0.362 25086 1253 1 4 . 1 1 27 27 LEU H H 27 8.023 8.023 8.184 -0.161 25086 1254 1 4 . 1 1 28 28 ASN N N 28 121.416 121.416 116.440 4.976 25086 1255 1 4 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.958 -0.078 25086 1256 1 4 . 1 1 28 28 ASN C C 28 174.980 174.980 174.358 0.622 25086 1257 1 4 . 1 1 28 28 ASN CA C 28 51.344 51.344 52.052 -0.708 25086 1258 1 4 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.709 0.844 25086 1259 1 4 . 1 1 28 28 ASN H H 28 8.889 8.889 8.528 0.361 25086 1260 1 4 . 1 1 29 29 ILE N N 29 120.022 120.022 121.498 -1.476 25086 1261 1 4 . 1 1 29 29 ILE HA H 29 3.327 3.327 3.991 -0.664 25086 1262 1 4 . 1 1 29 29 ILE C C 29 176.499 176.499 176.284 0.215 25086 1263 1 4 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.600 0.644 25086 1264 1 4 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.053 -0.787 25086 1265 1 4 . 1 1 29 29 ILE H H 29 8.396 8.396 8.392 0.004 25086 1266 1 4 . 1 1 30 30 ASP N N 30 121.326 121.326 121.221 0.105 25086 1267 1 4 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.378 0.023 25086 1268 1 4 . 1 1 30 30 ASP C C 30 175.994 175.994 175.063 0.931 25086 1269 1 4 . 1 1 30 30 ASP CA C 30 57.943 57.943 54.943 3.000 25086 1270 1 4 . 1 1 30 30 ASP CB C 30 38.815 38.815 39.973 -1.158 25086 1271 1 4 . 1 1 30 30 ASP H H 30 9.114 9.114 8.690 0.424 25086 1272 1 4 . 1 1 31 31 ASP N N 31 121.764 121.764 120.546 1.218 25086 1273 1 4 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.625 0.068 25086 1274 1 4 . 1 1 31 31 ASP C C 31 175.904 175.904 175.615 0.289 25086 1275 1 4 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.686 0.606 25086 1276 1 4 . 1 1 31 31 ASP CB C 31 41.176 41.176 41.843 -0.667 25086 1277 1 4 . 1 1 31 31 ASP H H 31 8.056 8.056 7.842 0.214 25086 1278 1 4 . 1 1 32 32 GLU N N 32 120.895 120.895 126.661 -5.766 25086 1279 1 4 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.374 0.322 25086 1280 1 4 . 1 1 32 32 GLU C C 32 176.717 176.717 175.348 1.369 25086 1281 1 4 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.909 0.500 25086 1282 1 4 . 1 1 32 32 GLU CB C 32 31.304 31.304 29.906 1.398 25086 1283 1 4 . 1 1 32 32 GLU H H 32 8.683 8.683 8.560 0.123 25086 1284 1 4 . 1 1 33 33 VAL N N 33 114.605 114.605 121.354 -6.749 25086 1285 1 4 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.415 0.591 25086 1286 1 4 . 1 1 33 33 VAL C C 33 173.447 173.447 175.175 -1.728 25086 1287 1 4 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.839 -1.411 25086 1288 1 4 . 1 1 33 33 VAL CB C 33 35.764 35.764 33.950 1.814 25086 1289 1 4 . 1 1 33 33 VAL H H 33 8.423 8.423 7.911 0.512 25086 1290 1 4 . 1 1 34 34 LYS N N 34 122.276 122.276 123.036 -0.760 25086 1291 1 4 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.549 0.218 25086 1292 1 4 . 1 1 34 34 LYS C C 34 175.062 175.062 175.502 -0.440 25086 1293 1 4 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.245 -0.593 25086 1294 1 4 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.867 0.990 25086 1295 1 4 . 1 1 34 34 LYS H H 34 8.989 8.989 8.198 0.791 25086 1296 1 4 . 1 1 35 35 ILE N N 35 124.021 124.021 126.357 -2.336 25086 1297 1 4 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.522 0.532 25086 1298 1 4 . 1 1 35 35 ILE C C 35 174.111 174.111 175.448 -1.337 25086 1299 1 4 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.346 -0.108 25086 1300 1 4 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.060 1.929 25086 1301 1 4 . 1 1 35 35 ILE H H 35 8.717 8.717 8.650 0.067 25086 1302 1 4 . 1 1 36 36 ASP N N 36 126.126 126.126 129.128 -3.002 25086 1303 1 4 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.922 0.132 25086 1304 1 4 . 1 1 36 36 ASP C C 36 173.496 173.496 174.225 -0.729 25086 1305 1 4 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.704 -0.461 25086 1306 1 4 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.173 1.107 25086 1307 1 4 . 1 1 36 36 ASP H H 36 8.948 8.948 8.666 0.282 25086 1308 1 4 . 1 1 37 37 LEU N N 37 123.664 123.664 126.183 -2.519 25086 1309 1 4 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.102 0.099 25086 1310 1 4 . 1 1 37 37 LEU C C 37 175.865 175.865 175.631 0.234 25086 1311 1 4 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.823 0.238 25086 1312 1 4 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.626 1.681 25086 1313 1 4 . 1 1 37 37 LEU H H 37 8.629 8.629 8.570 0.059 25086 1314 1 4 . 1 1 38 38 VAL N N 38 126.795 126.795 126.654 0.141 25086 1315 1 4 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.307 -0.118 25086 1316 1 4 . 1 1 38 38 VAL C C 38 175.379 175.379 175.021 0.358 25086 1317 1 4 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.688 -0.208 25086 1318 1 4 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.156 -0.054 25086 1319 1 4 . 1 1 38 38 VAL H H 38 8.772 8.772 8.304 0.468 25086 1320 1 4 . 1 1 39 39 ASP N N 39 127.355 127.355 126.607 0.748 25086 1321 1 4 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.349 -0.128 25086 1322 1 4 . 1 1 39 39 ASP C C 39 175.944 175.944 176.099 -0.155 25086 1323 1 4 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.386 -0.162 25086 1324 1 4 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.063 -0.057 25086 1325 1 4 . 1 1 39 39 ASP H H 39 9.154 9.154 9.135 0.019 25086 1326 1 4 . 1 1 40 40 GLY N N 40 103.124 103.124 101.597 1.527 25086 1327 1 4 . 1 1 40 40 GLY C C 40 172.842 172.842 173.588 -0.746 25086 1328 1 4 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.209 0.853 25086 1329 1 4 . 1 1 40 40 GLY H H 40 8.425 8.425 8.527 -0.102 25086 1330 1 4 . 1 1 41 41 LYS N N 41 117.155 117.155 118.477 -1.322 25086 1331 1 4 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.644 0.101 25086 1332 1 4 . 1 1 41 41 LYS C C 41 174.385 174.385 174.752 -0.367 25086 1333 1 4 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.888 0.602 25086 1334 1 4 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.253 -0.009 25086 1335 1 4 . 1 1 41 41 LYS H H 41 7.676 7.676 8.014 -0.338 25086 1336 1 4 . 1 1 42 42 LEU N N 42 119.938 119.938 122.713 -2.775 25086 1337 1 4 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.372 0.694 25086 1338 1 4 . 1 1 42 42 LEU C C 42 174.895 174.895 176.427 -1.532 25086 1339 1 4 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.562 -1.002 25086 1340 1 4 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.417 1.030 25086 1341 1 4 . 1 1 42 42 LEU H H 42 8.585 8.585 8.588 -0.003 25086 1342 1 4 . 1 1 43 43 ILE N N 43 123.764 123.764 126.465 -2.701 25086 1343 1 4 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.304 0.621 25086 1344 1 4 . 1 1 43 43 ILE C C 43 175.893 175.893 174.474 1.419 25086 1345 1 4 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.559 -0.272 25086 1346 1 4 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.075 1.103 25086 1347 1 4 . 1 1 43 43 ILE H H 43 9.075 9.075 8.888 0.187 25086 1348 1 4 . 1 1 44 44 ILE N N 44 126.815 126.815 128.423 -1.608 25086 1349 1 4 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.978 -0.022 25086 1350 1 4 . 1 1 44 44 ILE C C 44 174.230 174.230 175.983 -1.753 25086 1351 1 4 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.767 1.451 25086 1352 1 4 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.723 0.438 25086 1353 1 4 . 1 1 44 44 ILE H H 44 9.411 9.411 8.632 0.779 25086 1354 1 4 . 1 1 45 45 GLU N N 45 126.742 126.742 127.936 -1.194 25086 1355 1 4 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.930 0.244 25086 1356 1 4 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.814 -0.863 25086 1357 1 4 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.279 1.587 25086 1358 1 4 . 1 1 45 45 GLU H H 45 8.929 8.929 8.264 0.665 25086 1359 1 4 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.851 -0.299 25086 1360 1 4 . 1 1 46 46 PRO C C 46 175.856 175.856 175.829 0.027 25086 1361 1 4 . 1 1 46 46 PRO CA C 46 63.215 63.215 61.965 1.250 25086 1362 1 4 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.679 -0.241 25086 1363 1 4 . 1 1 47 47 VAL N N 47 123.846 123.846 121.632 2.214 25086 1364 1 4 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.349 -0.332 25086 1365 1 4 . 1 1 47 47 VAL C C 47 175.776 175.776 174.723 1.053 25086 1366 1 4 . 1 1 47 47 VAL CA C 47 62.656 62.656 60.849 1.808 25086 1367 1 4 . 1 1 47 47 VAL CB C 47 32.271 32.271 34.880 -2.609 25086 1368 1 4 . 1 1 47 47 VAL H H 47 7.893 7.893 8.512 -0.619 25086 1369 1 4 . 1 1 48 48 ARG N N 48 126.674 126.674 126.538 0.136 25086 1370 1 4 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.533 -0.127 25086 1371 1 4 . 1 1 48 48 ARG C C 48 175.887 175.887 175.742 0.145 25086 1372 1 4 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.455 0.065 25086 1373 1 4 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.769 0.032 25086 1374 1 4 . 1 1 48 48 ARG H H 48 8.646 8.646 8.443 0.203 25086 1375 1 4 . 1 1 49 49 LYS N N 49 124.176 124.176 125.956 -1.780 25086 1376 1 4 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.472 -0.113 25086 1377 1 4 . 1 1 49 49 LYS C C 49 175.579 175.579 175.891 -0.312 25086 1378 1 4 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.965 0.205 25086 1379 1 4 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.279 1.939 25086 1380 1 4 . 1 1 49 49 LYS H H 49 8.563 8.563 8.660 -0.097 25086 1381 1 5 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.557 0.050 25086 1382 1 5 . 1 1 -15 -15 HIS C C -15 174.805 174.805 175.101 -0.296 25086 1383 1 5 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 57.635 -1.537 25086 1384 1 5 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.592 -0.212 25086 1385 1 5 . 1 1 -14 -14 LYS N N -14 122.750 122.750 119.524 3.226 25086 1386 1 5 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.762 -0.519 25086 1387 1 5 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.934 0.216 25086 1388 1 5 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.282 1.065 25086 1389 1 5 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 34.555 -1.570 25086 1390 1 5 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.155 0.199 25086 1391 1 5 . 1 1 -13 -13 VAL N N -13 121.546 121.546 122.827 -1.281 25086 1392 1 5 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.174 -0.196 25086 1393 1 5 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.731 -0.120 25086 1394 1 5 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.432 -0.284 25086 1395 1 5 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.042 1.773 25086 1396 1 5 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.781 -0.683 25086 1397 1 5 . 1 1 -12 -12 HIS N N -12 123.329 123.329 124.122 -0.793 25086 1398 1 5 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 55.128 0.398 25086 1399 1 5 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 27.878 2.562 25086 1400 1 5 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.625 -0.187 25086 1401 1 5 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.787 -0.181 25086 1402 1 5 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.487 0.227 25086 1403 1 5 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 56.301 -0.320 25086 1404 1 5 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.403 -1.498 25086 1405 1 5 . 1 1 -6 -6 MET N N -6 122.431 122.431 119.479 2.952 25086 1406 1 5 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.692 -0.239 25086 1407 1 5 . 1 1 -6 -6 MET C C -6 176.091 176.091 176.600 -0.509 25086 1408 1 5 . 1 1 -6 -6 MET CA C -6 55.658 55.658 57.066 -1.408 25086 1409 1 5 . 1 1 -6 -6 MET CB C -6 32.952 32.952 34.030 -1.078 25086 1410 1 5 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.782 -0.262 25086 1411 1 5 . 1 1 -5 -5 SER N N -5 116.616 116.616 118.732 -2.116 25086 1412 1 5 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.287 0.157 25086 1413 1 5 . 1 1 -5 -5 SER C C -5 174.462 174.462 176.346 -1.884 25086 1414 1 5 . 1 1 -5 -5 SER CA C -5 58.379 58.379 61.352 -2.973 25086 1415 1 5 . 1 1 -5 -5 SER CB C -5 63.989 63.989 63.241 0.748 25086 1416 1 5 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.482 -0.072 25086 1417 1 5 . 1 1 -4 -4 ASP N N -4 122.320 122.320 120.220 2.100 25086 1418 1 5 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.425 0.177 25086 1419 1 5 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.870 -0.672 25086 1420 1 5 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 57.259 -2.479 25086 1421 1 5 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.399 0.718 25086 1422 1 5 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.870 -0.441 25086 1423 1 5 . 1 1 -3 -3 ASP N N -3 119.793 119.793 116.280 3.513 25086 1424 1 5 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.521 0.043 25086 1425 1 5 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.573 -0.327 25086 1426 1 5 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.002 -1.273 25086 1427 1 5 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.148 0.046 25086 1428 1 5 . 1 1 -3 -3 ASP H H -3 8.206 8.206 7.755 0.451 25086 1429 1 5 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.968 1.302 25086 1430 1 5 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.676 -0.109 25086 1431 1 5 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.845 0.208 25086 1432 1 5 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.267 -0.529 25086 1433 1 5 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.430 -1.186 25086 1434 1 5 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.599 0.571 25086 1435 1 5 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.425 -0.146 25086 1436 1 5 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.749 -0.159 25086 1437 1 5 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.164 0.142 25086 1438 1 5 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 55.163 -0.748 25086 1439 1 5 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.835 0.269 25086 1440 1 5 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.770 0.455 25086 1441 1 5 . 1 1 0 0 LYS N N 0 121.408 121.408 123.750 -2.342 25086 1442 1 5 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.417 -0.032 25086 1443 1 5 . 1 1 0 0 LYS C C 0 177.017 177.017 177.385 -0.368 25086 1444 1 5 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.830 0.267 25086 1445 1 5 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.224 -0.254 25086 1446 1 5 . 1 1 0 0 LYS H H 0 8.251 8.251 8.050 0.201 25086 1447 1 5 . 1 1 1 1 GLY N N 1 109.054 109.054 110.329 -1.275 25086 1448 1 5 . 1 1 1 1 GLY C C 1 173.630 173.630 174.071 -0.441 25086 1449 1 5 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.883 0.402 25086 1450 1 5 . 1 1 1 1 GLY H H 1 8.370 8.370 8.236 0.134 25086 1451 1 5 . 1 1 2 2 ILE N N 2 120.862 120.862 120.411 0.451 25086 1452 1 5 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.848 0.449 25086 1453 1 5 . 1 1 2 2 ILE C C 2 175.993 175.993 175.756 0.237 25086 1454 1 5 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.257 -0.425 25086 1455 1 5 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.200 1.533 25086 1456 1 5 . 1 1 2 2 ILE H H 2 8.579 8.579 7.806 0.773 25086 1457 1 5 . 1 1 3 3 HIS N N 3 124.483 124.483 126.968 -2.485 25086 1458 1 5 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.729 0.505 25086 1459 1 5 . 1 1 3 3 HIS C C 3 174.751 174.751 174.588 0.163 25086 1460 1 5 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.618 -1.333 25086 1461 1 5 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.695 -0.619 25086 1462 1 5 . 1 1 3 3 HIS H H 3 8.920 8.920 8.624 0.296 25086 1463 1 5 . 1 1 4 4 SER N N 4 117.417 117.417 117.907 -0.490 25086 1464 1 5 . 1 1 4 4 SER HA H 4 4.712 4.712 4.859 -0.147 25086 1465 1 5 . 1 1 4 4 SER C C 4 174.112 174.112 173.095 1.017 25086 1466 1 5 . 1 1 4 4 SER CA C 4 56.102 56.102 57.606 -1.504 25086 1467 1 5 . 1 1 4 4 SER CB C 4 64.679 64.679 64.710 -0.031 25086 1468 1 5 . 1 1 4 4 SER H H 4 8.925 8.925 8.724 0.201 25086 1469 1 5 . 1 1 5 5 SER N N 5 114.372 114.372 117.047 -2.675 25086 1470 1 5 . 1 1 5 5 SER HA H 5 5.390 5.390 4.744 0.646 25086 1471 1 5 . 1 1 5 5 SER C C 5 173.075 173.075 172.713 0.362 25086 1472 1 5 . 1 1 5 5 SER CA C 5 57.153 57.153 57.970 -0.817 25086 1473 1 5 . 1 1 5 5 SER CB C 5 65.752 65.752 65.084 0.668 25086 1474 1 5 . 1 1 5 5 SER H H 5 8.623 8.623 8.200 0.423 25086 1475 1 5 . 1 1 6 6 VAL N N 6 121.311 121.311 122.113 -0.802 25086 1476 1 5 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.310 -0.141 25086 1477 1 5 . 1 1 6 6 VAL C C 6 175.872 175.872 175.967 -0.095 25086 1478 1 5 . 1 1 6 6 VAL CA C 6 62.746 62.746 61.950 0.796 25086 1479 1 5 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.721 -0.225 25086 1480 1 5 . 1 1 6 6 VAL H H 6 8.384 8.384 8.600 -0.216 25086 1481 1 5 . 1 1 7 7 LYS N N 7 128.341 128.341 128.778 -0.437 25086 1482 1 5 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.832 0.133 25086 1483 1 5 . 1 1 7 7 LYS C C 7 174.655 174.655 174.855 -0.200 25086 1484 1 5 . 1 1 7 7 LYS CA C 7 53.609 53.609 54.184 -0.575 25086 1485 1 5 . 1 1 7 7 LYS CB C 7 36.574 36.574 36.060 0.514 25086 1486 1 5 . 1 1 7 7 LYS H H 7 9.042 9.042 9.002 0.040 25086 1487 1 5 . 1 1 8 8 ARG N N 8 120.527 120.527 121.533 -1.006 25086 1488 1 5 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.625 -0.261 25086 1489 1 5 . 1 1 8 8 ARG C C 8 174.148 174.148 175.483 -1.335 25086 1490 1 5 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.184 -0.008 25086 1491 1 5 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.500 0.007 25086 1492 1 5 . 1 1 8 8 ARG H H 8 8.791 8.791 8.661 0.130 25086 1493 1 5 . 1 1 9 9 TRP N N 9 131.164 131.164 130.374 0.790 25086 1494 1 5 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.731 -0.079 25086 1495 1 5 . 1 1 9 9 TRP C C 9 176.351 176.351 175.820 0.531 25086 1496 1 5 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.950 -1.913 25086 1497 1 5 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.372 -1.306 25086 1498 1 5 . 1 1 9 9 TRP H H 9 8.994 8.994 9.194 -0.200 25086 1499 1 5 . 1 1 10 10 GLY N N 10 117.757 117.757 117.577 0.180 25086 1500 1 5 . 1 1 10 10 GLY C C 10 173.798 173.798 173.610 0.188 25086 1501 1 5 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.105 1.219 25086 1502 1 5 . 1 1 10 10 GLY H H 10 9.134 9.134 8.286 0.848 25086 1503 1 5 . 1 1 11 11 ASN N N 11 125.396 125.396 122.645 2.751 25086 1504 1 5 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.814 -0.045 25086 1505 1 5 . 1 1 11 11 ASN C C 11 175.190 175.190 174.227 0.963 25086 1506 1 5 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.497 0.245 25086 1507 1 5 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.541 0.769 25086 1508 1 5 . 1 1 11 11 ASN H H 11 8.667 8.667 8.618 0.049 25086 1509 1 5 . 1 1 12 12 SER N N 12 115.939 115.939 116.449 -0.510 25086 1510 1 5 . 1 1 12 12 SER HA H 12 5.038 5.038 4.953 0.085 25086 1511 1 5 . 1 1 12 12 SER CA C 12 56.293 56.293 55.096 1.197 25086 1512 1 5 . 1 1 12 12 SER CB C 12 65.254 65.254 64.660 0.593 25086 1513 1 5 . 1 1 12 12 SER H H 12 7.798 7.798 7.593 0.205 25086 1514 1 5 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.934 -0.071 25086 1515 1 5 . 1 1 13 13 PRO C C 13 177.322 177.322 175.978 1.344 25086 1516 1 5 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.650 -0.520 25086 1517 1 5 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.721 0.897 25086 1518 1 5 . 1 1 14 14 ALA N N 14 125.096 125.096 128.743 -3.647 25086 1519 1 5 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.865 0.424 25086 1520 1 5 . 1 1 14 14 ALA C C 14 174.888 174.888 175.221 -0.333 25086 1521 1 5 . 1 1 14 14 ALA CA C 14 51.770 51.770 50.981 0.789 25086 1522 1 5 . 1 1 14 14 ALA CB C 14 24.271 24.271 23.062 1.209 25086 1523 1 5 . 1 1 14 14 ALA H H 14 9.419 9.419 9.187 0.232 25086 1524 1 5 . 1 1 15 15 VAL N N 15 116.316 116.316 121.824 -5.508 25086 1525 1 5 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.443 0.298 25086 1526 1 5 . 1 1 15 15 VAL C C 15 175.375 175.375 175.755 -0.380 25086 1527 1 5 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.540 -0.708 25086 1528 1 5 . 1 1 15 15 VAL CB C 15 35.541 35.541 34.837 0.704 25086 1529 1 5 . 1 1 15 15 VAL H H 15 8.491 8.491 8.515 -0.024 25086 1530 1 5 . 1 1 16 16 ARG N N 16 125.595 125.595 127.284 -1.689 25086 1531 1 5 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.407 0.326 25086 1532 1 5 . 1 1 16 16 ARG C C 16 176.071 176.071 175.514 0.557 25086 1533 1 5 . 1 1 16 16 ARG CA C 16 56.204 56.204 56.115 0.089 25086 1534 1 5 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.833 -0.340 25086 1535 1 5 . 1 1 16 16 ARG H H 16 8.812 8.812 8.635 0.177 25086 1536 1 5 . 1 1 17 17 ILE N N 17 123.572 123.572 126.607 -3.035 25086 1537 1 5 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.362 0.033 25086 1538 1 5 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.997 -1.406 25086 1539 1 5 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.881 -0.100 25086 1540 1 5 . 1 1 17 17 ILE H H 17 8.020 8.020 8.325 -0.305 25086 1541 1 5 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.492 -0.101 25086 1542 1 5 . 1 1 18 18 PRO C C 18 177.860 177.860 177.577 0.283 25086 1543 1 5 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.512 0.356 25086 1544 1 5 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.276 0.560 25086 1545 1 5 . 1 1 19 19 ALA N N 19 128.602 128.602 128.185 0.417 25086 1546 1 5 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.004 -0.066 25086 1547 1 5 . 1 1 19 19 ALA C C 19 180.059 180.059 179.735 0.324 25086 1548 1 5 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.042 0.833 25086 1549 1 5 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.238 0.062 25086 1550 1 5 . 1 1 19 19 ALA H H 19 8.975 8.975 8.751 0.224 25086 1551 1 5 . 1 1 20 20 THR N N 20 108.352 108.352 115.401 -7.049 25086 1552 1 5 . 1 1 20 20 THR HA H 20 4.041 4.041 3.999 0.042 25086 1553 1 5 . 1 1 20 20 THR C C 20 177.381 177.381 176.423 0.958 25086 1554 1 5 . 1 1 20 20 THR CA C 20 64.688 64.688 66.043 -1.355 25086 1555 1 5 . 1 1 20 20 THR CB C 20 68.155 68.155 68.368 -0.213 25086 1556 1 5 . 1 1 20 20 THR H H 20 8.263 8.263 8.234 0.029 25086 1557 1 5 . 1 1 21 21 LEU N N 21 121.199 121.199 121.573 -0.374 25086 1558 1 5 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.198 0.028 25086 1559 1 5 . 1 1 21 21 LEU C C 21 178.002 178.002 178.649 -0.647 25086 1560 1 5 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.312 -0.369 25086 1561 1 5 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.210 -0.178 25086 1562 1 5 . 1 1 21 21 LEU H H 21 7.040 7.040 7.691 -0.651 25086 1563 1 5 . 1 1 22 22 MET N N 22 117.150 117.150 118.167 -1.017 25086 1564 1 5 . 1 1 22 22 MET HA H 22 4.019 4.019 3.951 0.068 25086 1565 1 5 . 1 1 22 22 MET C C 22 178.951 178.951 178.766 0.185 25086 1566 1 5 . 1 1 22 22 MET CA C 22 57.881 57.881 58.578 -0.696 25086 1567 1 5 . 1 1 22 22 MET CB C 22 30.803 30.803 31.173 -0.370 25086 1568 1 5 . 1 1 22 22 MET H H 22 7.415 7.415 8.071 -0.656 25086 1569 1 5 . 1 1 23 23 GLN N N 23 116.690 116.690 117.328 -0.638 25086 1570 1 5 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.211 -0.051 25086 1571 1 5 . 1 1 23 23 GLN C C 23 179.589 179.589 178.452 1.137 25086 1572 1 5 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.108 0.406 25086 1573 1 5 . 1 1 23 23 GLN CB C 23 28.288 28.288 27.867 0.421 25086 1574 1 5 . 1 1 23 23 GLN H H 23 7.953 7.953 8.331 -0.378 25086 1575 1 5 . 1 1 24 24 ALA N N 24 122.104 122.104 121.458 0.646 25086 1576 1 5 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.182 -0.074 25086 1577 1 5 . 1 1 24 24 ALA C C 24 179.010 179.010 178.588 0.422 25086 1578 1 5 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.341 0.404 25086 1579 1 5 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.217 -0.498 25086 1580 1 5 . 1 1 24 24 ALA H H 24 7.617 7.617 7.719 -0.102 25086 1581 1 5 . 1 1 25 25 LEU N N 25 115.630 115.630 116.965 -1.335 25086 1582 1 5 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.366 -0.060 25086 1583 1 5 . 1 1 25 25 LEU C C 25 175.862 175.862 176.727 -0.865 25086 1584 1 5 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.327 -0.318 25086 1585 1 5 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.819 0.798 25086 1586 1 5 . 1 1 25 25 LEU H H 25 7.381 7.381 8.052 -0.671 25086 1587 1 5 . 1 1 26 26 ASN N N 26 118.019 118.019 117.812 0.207 25086 1588 1 5 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.391 -0.102 25086 1589 1 5 . 1 1 26 26 ASN C C 26 173.478 173.478 174.011 -0.533 25086 1590 1 5 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.182 0.011 25086 1591 1 5 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.517 0.841 25086 1592 1 5 . 1 1 26 26 ASN H H 26 7.966 7.966 7.717 0.249 25086 1593 1 5 . 1 1 27 27 LEU N N 27 118.539 118.539 114.012 4.527 25086 1594 1 5 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.910 -0.327 25086 1595 1 5 . 1 1 27 27 LEU C C 27 174.995 174.995 175.072 -0.077 25086 1596 1 5 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.340 0.400 25086 1597 1 5 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.543 1.622 25086 1598 1 5 . 1 1 27 27 LEU H H 27 8.023 8.023 7.916 0.107 25086 1599 1 5 . 1 1 28 28 ASN N N 28 121.416 121.416 116.975 4.441 25086 1600 1 5 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.933 -0.053 25086 1601 1 5 . 1 1 28 28 ASN C C 28 174.980 174.980 174.435 0.545 25086 1602 1 5 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.665 -0.321 25086 1603 1 5 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.419 1.134 25086 1604 1 5 . 1 1 28 28 ASN H H 28 8.889 8.889 8.196 0.693 25086 1605 1 5 . 1 1 29 29 ILE N N 29 120.022 120.022 121.689 -1.667 25086 1606 1 5 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.066 -0.739 25086 1607 1 5 . 1 1 29 29 ILE C C 29 176.499 176.499 176.389 0.110 25086 1608 1 5 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.860 0.384 25086 1609 1 5 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.716 -0.450 25086 1610 1 5 . 1 1 29 29 ILE H H 29 8.396 8.396 8.451 -0.055 25086 1611 1 5 . 1 1 30 30 ASP N N 30 121.326 121.326 123.237 -1.911 25086 1612 1 5 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.395 0.006 25086 1613 1 5 . 1 1 30 30 ASP C C 30 175.994 175.994 175.256 0.738 25086 1614 1 5 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.153 2.790 25086 1615 1 5 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.472 -1.657 25086 1616 1 5 . 1 1 30 30 ASP H H 30 9.114 9.114 8.665 0.449 25086 1617 1 5 . 1 1 31 31 ASP N N 31 121.764 121.764 120.014 1.750 25086 1618 1 5 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.807 -0.114 25086 1619 1 5 . 1 1 31 31 ASP C C 31 175.904 175.904 174.930 0.974 25086 1620 1 5 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.688 1.605 25086 1621 1 5 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.440 -1.264 25086 1622 1 5 . 1 1 31 31 ASP H H 31 8.056 8.056 7.780 0.276 25086 1623 1 5 . 1 1 32 32 GLU N N 32 120.895 120.895 123.655 -2.760 25086 1624 1 5 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.542 0.154 25086 1625 1 5 . 1 1 32 32 GLU C C 32 176.717 176.717 175.067 1.650 25086 1626 1 5 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.885 0.524 25086 1627 1 5 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.880 0.424 25086 1628 1 5 . 1 1 32 32 GLU H H 32 8.683 8.683 8.520 0.163 25086 1629 1 5 . 1 1 33 33 VAL N N 33 114.605 114.605 118.884 -4.279 25086 1630 1 5 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.478 0.528 25086 1631 1 5 . 1 1 33 33 VAL C C 33 173.447 173.447 174.457 -1.010 25086 1632 1 5 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.347 -0.919 25086 1633 1 5 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.338 0.426 25086 1634 1 5 . 1 1 33 33 VAL H H 33 8.423 8.423 8.191 0.232 25086 1635 1 5 . 1 1 34 34 LYS N N 34 122.276 122.276 123.224 -0.948 25086 1636 1 5 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.640 0.127 25086 1637 1 5 . 1 1 34 34 LYS C C 34 175.062 175.062 175.193 -0.131 25086 1638 1 5 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.418 -0.766 25086 1639 1 5 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.163 0.694 25086 1640 1 5 . 1 1 34 34 LYS H H 34 8.989 8.989 8.724 0.265 25086 1641 1 5 . 1 1 35 35 ILE N N 35 124.021 124.021 124.903 -0.882 25086 1642 1 5 . 1 1 35 35 ILE HA H 35 5.054 5.054 5.123 -0.069 25086 1643 1 5 . 1 1 35 35 ILE C C 35 174.111 174.111 175.669 -1.558 25086 1644 1 5 . 1 1 35 35 ILE CA C 35 60.238 60.238 59.682 0.556 25086 1645 1 5 . 1 1 35 35 ILE CB C 35 39.989 39.989 39.908 0.081 25086 1646 1 5 . 1 1 35 35 ILE H H 35 8.717 8.717 8.498 0.219 25086 1647 1 5 . 1 1 36 36 ASP N N 36 126.126 126.126 127.620 -1.494 25086 1648 1 5 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.866 0.188 25086 1649 1 5 . 1 1 36 36 ASP C C 36 173.496 173.496 173.832 -0.336 25086 1650 1 5 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.272 -1.029 25086 1651 1 5 . 1 1 36 36 ASP CB C 36 45.280 45.280 45.027 0.253 25086 1652 1 5 . 1 1 36 36 ASP H H 36 8.948 8.948 8.906 0.042 25086 1653 1 5 . 1 1 37 37 LEU N N 37 123.664 123.664 124.313 -0.649 25086 1654 1 5 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.131 0.070 25086 1655 1 5 . 1 1 37 37 LEU C C 37 175.865 175.865 175.586 0.279 25086 1656 1 5 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.918 0.143 25086 1657 1 5 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.645 1.661 25086 1658 1 5 . 1 1 37 37 LEU H H 37 8.629 8.629 8.476 0.153 25086 1659 1 5 . 1 1 38 38 VAL N N 38 126.795 126.795 126.240 0.555 25086 1660 1 5 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.337 -0.148 25086 1661 1 5 . 1 1 38 38 VAL C C 38 175.379 175.379 175.177 0.202 25086 1662 1 5 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.495 -0.015 25086 1663 1 5 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.031 0.071 25086 1664 1 5 . 1 1 38 38 VAL H H 38 8.772 8.772 8.958 -0.186 25086 1665 1 5 . 1 1 39 39 ASP N N 39 127.355 127.355 127.632 -0.277 25086 1666 1 5 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.300 -0.079 25086 1667 1 5 . 1 1 39 39 ASP C C 39 175.944 175.944 176.720 -0.776 25086 1668 1 5 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.974 0.249 25086 1669 1 5 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.557 -0.551 25086 1670 1 5 . 1 1 39 39 ASP H H 39 9.154 9.154 9.200 -0.046 25086 1671 1 5 . 1 1 40 40 GLY N N 40 103.124 103.124 102.553 0.571 25086 1672 1 5 . 1 1 40 40 GLY C C 40 172.842 172.842 173.695 -0.853 25086 1673 1 5 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.128 0.934 25086 1674 1 5 . 1 1 40 40 GLY H H 40 8.425 8.425 8.318 0.107 25086 1675 1 5 . 1 1 41 41 LYS N N 41 117.155 117.155 118.500 -1.345 25086 1676 1 5 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.659 0.086 25086 1677 1 5 . 1 1 41 41 LYS C C 41 174.385 174.385 174.474 -0.089 25086 1678 1 5 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.731 0.759 25086 1679 1 5 . 1 1 41 41 LYS CB C 41 35.244 35.244 34.883 0.361 25086 1680 1 5 . 1 1 41 41 LYS H H 41 7.676 7.676 7.839 -0.163 25086 1681 1 5 . 1 1 42 42 LEU N N 42 119.938 119.938 122.626 -2.688 25086 1682 1 5 . 1 1 42 42 LEU HA H 42 5.066 5.066 5.020 0.046 25086 1683 1 5 . 1 1 42 42 LEU C C 42 174.895 174.895 176.822 -1.927 25086 1684 1 5 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.147 -0.587 25086 1685 1 5 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.655 0.793 25086 1686 1 5 . 1 1 42 42 LEU H H 42 8.585 8.585 8.588 -0.003 25086 1687 1 5 . 1 1 43 43 ILE N N 43 123.764 123.764 126.282 -2.518 25086 1688 1 5 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.301 0.624 25086 1689 1 5 . 1 1 43 43 ILE C C 43 175.893 175.893 174.648 1.245 25086 1690 1 5 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.509 -0.222 25086 1691 1 5 . 1 1 43 43 ILE CB C 43 39.178 39.178 37.834 1.344 25086 1692 1 5 . 1 1 43 43 ILE H H 43 9.075 9.075 9.138 -0.063 25086 1693 1 5 . 1 1 44 44 ILE N N 44 126.815 126.815 128.564 -1.749 25086 1694 1 5 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.750 0.206 25086 1695 1 5 . 1 1 44 44 ILE C C 44 174.230 174.230 175.803 -1.573 25086 1696 1 5 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.891 1.327 25086 1697 1 5 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.510 1.651 25086 1698 1 5 . 1 1 44 44 ILE H H 44 9.411 9.411 8.562 0.849 25086 1699 1 5 . 1 1 45 45 GLU N N 45 126.742 126.742 129.996 -3.254 25086 1700 1 5 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.889 0.285 25086 1701 1 5 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.412 -0.461 25086 1702 1 5 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.711 1.155 25086 1703 1 5 . 1 1 45 45 GLU H H 45 8.929 8.929 8.931 -0.002 25086 1704 1 5 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.334 0.218 25086 1705 1 5 . 1 1 46 46 PRO C C 46 175.856 175.856 176.207 -0.351 25086 1706 1 5 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.962 0.253 25086 1707 1 5 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.288 0.150 25086 1708 1 5 . 1 1 47 47 VAL N N 47 123.846 123.846 122.014 1.832 25086 1709 1 5 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.169 -0.152 25086 1710 1 5 . 1 1 47 47 VAL C C 47 175.776 175.776 175.611 0.165 25086 1711 1 5 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.596 1.060 25086 1712 1 5 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.060 0.211 25086 1713 1 5 . 1 1 47 47 VAL H H 47 7.893 7.893 7.885 0.008 25086 1714 1 5 . 1 1 48 48 ARG N N 48 126.674 126.674 127.838 -1.164 25086 1715 1 5 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.424 -0.018 25086 1716 1 5 . 1 1 48 48 ARG C C 48 175.887 175.887 175.816 0.071 25086 1717 1 5 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.822 -0.301 25086 1718 1 5 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.371 0.430 25086 1719 1 5 . 1 1 48 48 ARG H H 48 8.646 8.646 8.479 0.167 25086 1720 1 5 . 1 1 49 49 LYS N N 49 124.176 124.176 124.014 0.162 25086 1721 1 5 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.535 -0.176 25086 1722 1 5 . 1 1 49 49 LYS C C 49 175.579 175.579 175.514 0.065 25086 1723 1 5 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.549 0.621 25086 1724 1 5 . 1 1 49 49 LYS CB C 49 33.218 33.218 33.763 -0.545 25086 1725 1 5 . 1 1 49 49 LYS H H 49 8.563 8.563 8.491 0.072 25086 1726 1 6 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.652 -0.045 25086 1727 1 6 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.137 0.668 25086 1728 1 6 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.212 0.886 25086 1729 1 6 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 32.416 -2.036 25086 1730 1 6 . 1 1 -14 -14 LYS N N -14 122.750 122.750 124.110 -1.360 25086 1731 1 6 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.225 0.018 25086 1732 1 6 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.669 0.481 25086 1733 1 6 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 57.154 -0.806 25086 1734 1 6 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.951 0.034 25086 1735 1 6 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.456 -0.102 25086 1736 1 6 . 1 1 -13 -13 VAL N N -13 121.546 121.546 116.761 4.785 25086 1737 1 6 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.362 -0.384 25086 1738 1 6 . 1 1 -13 -13 VAL C C -13 175.611 175.611 174.535 1.076 25086 1739 1 6 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 60.777 1.371 25086 1740 1 6 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 34.019 -1.204 25086 1741 1 6 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.443 0.655 25086 1742 1 6 . 1 1 -12 -12 HIS N N -12 123.329 123.329 123.374 -0.045 25086 1743 1 6 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 55.568 -0.042 25086 1744 1 6 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 31.559 -1.119 25086 1745 1 6 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.329 0.109 25086 1746 1 6 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.542 0.064 25086 1747 1 6 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.738 -0.024 25086 1748 1 6 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 56.958 -0.977 25086 1749 1 6 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.718 -0.813 25086 1750 1 6 . 1 1 -6 -6 MET N N -6 122.431 122.431 119.802 2.629 25086 1751 1 6 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.658 -0.205 25086 1752 1 6 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.055 1.036 25086 1753 1 6 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.784 0.874 25086 1754 1 6 . 1 1 -6 -6 MET CB C -6 32.952 32.952 34.811 -1.859 25086 1755 1 6 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.033 0.487 25086 1756 1 6 . 1 1 -5 -5 SER N N -5 116.616 116.616 122.417 -5.801 25086 1757 1 6 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.565 -0.121 25086 1758 1 6 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.301 0.161 25086 1759 1 6 . 1 1 -5 -5 SER CA C -5 58.379 58.379 58.574 -0.195 25086 1760 1 6 . 1 1 -5 -5 SER CB C -5 63.989 63.989 62.632 1.357 25086 1761 1 6 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.759 -0.349 25086 1762 1 6 . 1 1 -4 -4 ASP N N -4 122.320 122.320 125.945 -3.625 25086 1763 1 6 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.485 0.117 25086 1764 1 6 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.596 -1.398 25086 1765 1 6 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 57.459 -2.679 25086 1766 1 6 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.060 0.057 25086 1767 1 6 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.365 0.064 25086 1768 1 6 . 1 1 -3 -3 ASP N N -3 119.793 119.793 119.332 0.461 25086 1769 1 6 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.509 0.055 25086 1770 1 6 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.421 -1.175 25086 1771 1 6 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.135 -1.406 25086 1772 1 6 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.727 0.467 25086 1773 1 6 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.677 -0.471 25086 1774 1 6 . 1 1 -2 -2 ASP N N -2 120.270 120.270 117.561 2.709 25086 1775 1 6 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.412 0.155 25086 1776 1 6 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.286 -0.233 25086 1777 1 6 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 56.053 -1.315 25086 1778 1 6 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 40.780 0.464 25086 1779 1 6 . 1 1 -2 -2 ASP H H -2 8.170 8.170 8.517 -0.347 25086 1780 1 6 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.294 0.985 25086 1781 1 6 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.692 -0.102 25086 1782 1 6 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.232 1.074 25086 1783 1 6 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 53.675 0.741 25086 1784 1 6 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.823 -0.719 25086 1785 1 6 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.670 0.555 25086 1786 1 6 . 1 1 0 0 LYS N N 0 121.408 121.408 125.183 -3.775 25086 1787 1 6 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.515 -0.130 25086 1788 1 6 . 1 1 0 0 LYS C C 0 177.017 177.017 176.390 0.627 25086 1789 1 6 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.071 1.026 25086 1790 1 6 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.691 0.278 25086 1791 1 6 . 1 1 0 0 LYS H H 0 8.251 8.251 8.497 -0.246 25086 1792 1 6 . 1 1 1 1 GLY N N 1 109.054 109.054 109.987 -0.933 25086 1793 1 6 . 1 1 1 1 GLY C C 1 173.630 173.630 174.486 -0.856 25086 1794 1 6 . 1 1 1 1 GLY CA C 1 45.285 45.285 45.362 -0.077 25086 1795 1 6 . 1 1 1 1 GLY H H 1 8.370 8.370 8.018 0.352 25086 1796 1 6 . 1 1 2 2 ILE N N 2 120.862 120.862 121.659 -0.797 25086 1797 1 6 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.115 0.182 25086 1798 1 6 . 1 1 2 2 ILE C C 2 175.993 175.993 175.759 0.234 25086 1799 1 6 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.736 -0.904 25086 1800 1 6 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.071 1.662 25086 1801 1 6 . 1 1 2 2 ILE H H 2 8.579 8.579 7.960 0.619 25086 1802 1 6 . 1 1 3 3 HIS N N 3 124.483 124.483 124.465 0.018 25086 1803 1 6 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.925 0.309 25086 1804 1 6 . 1 1 3 3 HIS C C 3 174.751 174.751 174.285 0.466 25086 1805 1 6 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.514 -0.229 25086 1806 1 6 . 1 1 3 3 HIS CB C 3 30.076 30.076 31.029 -0.953 25086 1807 1 6 . 1 1 3 3 HIS H H 3 8.920 8.920 8.489 0.431 25086 1808 1 6 . 1 1 4 4 SER N N 4 117.417 117.417 119.151 -1.734 25086 1809 1 6 . 1 1 4 4 SER HA H 4 4.712 4.712 4.723 -0.011 25086 1810 1 6 . 1 1 4 4 SER C C 4 174.112 174.112 173.066 1.046 25086 1811 1 6 . 1 1 4 4 SER CA C 4 56.102 56.102 57.431 -1.329 25086 1812 1 6 . 1 1 4 4 SER CB C 4 64.679 64.679 64.693 -0.014 25086 1813 1 6 . 1 1 4 4 SER H H 4 8.925 8.925 8.601 0.324 25086 1814 1 6 . 1 1 5 5 SER N N 5 114.372 114.372 116.970 -2.598 25086 1815 1 6 . 1 1 5 5 SER HA H 5 5.390 5.390 4.696 0.694 25086 1816 1 6 . 1 1 5 5 SER C C 5 173.075 173.075 172.768 0.307 25086 1817 1 6 . 1 1 5 5 SER CA C 5 57.153 57.153 57.934 -0.781 25086 1818 1 6 . 1 1 5 5 SER CB C 5 65.752 65.752 65.127 0.625 25086 1819 1 6 . 1 1 5 5 SER H H 5 8.623 8.623 8.175 0.448 25086 1820 1 6 . 1 1 6 6 VAL N N 6 121.311 121.311 122.180 -0.869 25086 1821 1 6 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.004 0.165 25086 1822 1 6 . 1 1 6 6 VAL C C 6 175.872 175.872 176.044 -0.172 25086 1823 1 6 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.435 0.311 25086 1824 1 6 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.800 -0.303 25086 1825 1 6 . 1 1 6 6 VAL H H 6 8.384 8.384 8.617 -0.233 25086 1826 1 6 . 1 1 7 7 LYS N N 7 128.341 128.341 129.110 -0.769 25086 1827 1 6 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.788 0.177 25086 1828 1 6 . 1 1 7 7 LYS C C 7 174.655 174.655 174.867 -0.212 25086 1829 1 6 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.656 -0.047 25086 1830 1 6 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.248 1.325 25086 1831 1 6 . 1 1 7 7 LYS H H 7 9.042 9.042 8.900 0.142 25086 1832 1 6 . 1 1 8 8 ARG N N 8 120.527 120.527 121.512 -0.985 25086 1833 1 6 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.706 -0.342 25086 1834 1 6 . 1 1 8 8 ARG C C 8 174.148 174.148 175.770 -1.622 25086 1835 1 6 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.989 0.188 25086 1836 1 6 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.613 -0.107 25086 1837 1 6 . 1 1 8 8 ARG H H 8 8.791 8.791 8.676 0.115 25086 1838 1 6 . 1 1 9 9 TRP N N 9 131.164 131.164 130.680 0.484 25086 1839 1 6 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.725 -0.073 25086 1840 1 6 . 1 1 9 9 TRP C C 9 176.351 176.351 175.934 0.417 25086 1841 1 6 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.753 -1.716 25086 1842 1 6 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.055 -0.989 25086 1843 1 6 . 1 1 9 9 TRP H H 9 8.994 8.994 9.121 -0.127 25086 1844 1 6 . 1 1 10 10 GLY N N 10 117.757 117.757 118.314 -0.557 25086 1845 1 6 . 1 1 10 10 GLY C C 10 173.798 173.798 173.654 0.144 25086 1846 1 6 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.690 0.634 25086 1847 1 6 . 1 1 10 10 GLY H H 10 9.134 9.134 8.169 0.965 25086 1848 1 6 . 1 1 11 11 ASN N N 11 125.396 125.396 122.802 2.594 25086 1849 1 6 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.818 -0.049 25086 1850 1 6 . 1 1 11 11 ASN C C 11 175.190 175.190 174.801 0.389 25086 1851 1 6 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.593 0.149 25086 1852 1 6 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.129 0.181 25086 1853 1 6 . 1 1 11 11 ASN H H 11 8.667 8.667 8.441 0.226 25086 1854 1 6 . 1 1 12 12 SER N N 12 115.939 115.939 116.819 -0.880 25086 1855 1 6 . 1 1 12 12 SER HA H 12 5.038 5.038 4.870 0.168 25086 1856 1 6 . 1 1 12 12 SER CA C 12 56.293 56.293 55.557 0.736 25086 1857 1 6 . 1 1 12 12 SER CB C 12 65.254 65.254 65.181 0.073 25086 1858 1 6 . 1 1 12 12 SER H H 12 7.798 7.798 7.742 0.056 25086 1859 1 6 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.840 0.023 25086 1860 1 6 . 1 1 13 13 PRO C C 13 177.322 177.322 175.963 1.359 25086 1861 1 6 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.642 -0.513 25086 1862 1 6 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.806 0.812 25086 1863 1 6 . 1 1 14 14 ALA N N 14 125.096 125.096 129.299 -4.203 25086 1864 1 6 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.870 0.419 25086 1865 1 6 . 1 1 14 14 ALA C C 14 174.888 174.888 175.361 -0.473 25086 1866 1 6 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.363 0.407 25086 1867 1 6 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.729 1.542 25086 1868 1 6 . 1 1 14 14 ALA H H 14 9.419 9.419 9.241 0.178 25086 1869 1 6 . 1 1 15 15 VAL N N 15 116.316 116.316 121.984 -5.668 25086 1870 1 6 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.363 0.378 25086 1871 1 6 . 1 1 15 15 VAL C C 15 175.375 175.375 176.135 -0.760 25086 1872 1 6 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.136 -1.304 25086 1873 1 6 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.496 2.045 25086 1874 1 6 . 1 1 15 15 VAL H H 15 8.491 8.491 8.555 -0.064 25086 1875 1 6 . 1 1 16 16 ARG N N 16 125.595 125.595 125.791 -0.196 25086 1876 1 6 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.307 0.426 25086 1877 1 6 . 1 1 16 16 ARG C C 16 176.071 176.071 175.396 0.675 25086 1878 1 6 . 1 1 16 16 ARG CA C 16 56.204 56.204 56.007 0.197 25086 1879 1 6 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.720 -0.227 25086 1880 1 6 . 1 1 16 16 ARG H H 16 8.812 8.812 8.694 0.118 25086 1881 1 6 . 1 1 17 17 ILE N N 17 123.572 123.572 126.675 -3.103 25086 1882 1 6 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.337 0.058 25086 1883 1 6 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.862 -1.271 25086 1884 1 6 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.677 0.104 25086 1885 1 6 . 1 1 17 17 ILE H H 17 8.020 8.020 8.362 -0.342 25086 1886 1 6 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.432 -0.041 25086 1887 1 6 . 1 1 18 18 PRO C C 18 177.860 177.860 177.213 0.647 25086 1888 1 6 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.448 0.420 25086 1889 1 6 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.595 0.241 25086 1890 1 6 . 1 1 19 19 ALA N N 19 128.602 128.602 128.435 0.167 25086 1891 1 6 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.041 -0.103 25086 1892 1 6 . 1 1 19 19 ALA C C 19 180.059 180.059 179.510 0.549 25086 1893 1 6 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.123 0.752 25086 1894 1 6 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.387 -0.087 25086 1895 1 6 . 1 1 19 19 ALA H H 19 8.975 8.975 8.672 0.303 25086 1896 1 6 . 1 1 20 20 THR N N 20 108.352 108.352 114.923 -6.571 25086 1897 1 6 . 1 1 20 20 THR HA H 20 4.041 4.041 4.115 -0.074 25086 1898 1 6 . 1 1 20 20 THR C C 20 177.381 177.381 176.272 1.109 25086 1899 1 6 . 1 1 20 20 THR CA C 20 64.688 64.688 66.196 -1.508 25086 1900 1 6 . 1 1 20 20 THR CB C 20 68.155 68.155 68.356 -0.201 25086 1901 1 6 . 1 1 20 20 THR H H 20 8.263 8.263 8.273 -0.010 25086 1902 1 6 . 1 1 21 21 LEU N N 21 121.199 121.199 121.207 -0.008 25086 1903 1 6 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.235 -0.009 25086 1904 1 6 . 1 1 21 21 LEU C C 21 178.002 178.002 178.770 -0.768 25086 1905 1 6 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.161 -0.218 25086 1906 1 6 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.128 -0.096 25086 1907 1 6 . 1 1 21 21 LEU H H 21 7.040 7.040 7.720 -0.680 25086 1908 1 6 . 1 1 22 22 MET N N 22 117.150 117.150 118.176 -1.026 25086 1909 1 6 . 1 1 22 22 MET HA H 22 4.019 4.019 3.975 0.044 25086 1910 1 6 . 1 1 22 22 MET C C 22 178.951 178.951 178.772 0.179 25086 1911 1 6 . 1 1 22 22 MET CA C 22 57.881 57.881 58.653 -0.772 25086 1912 1 6 . 1 1 22 22 MET CB C 22 30.803 30.803 31.353 -0.550 25086 1913 1 6 . 1 1 22 22 MET H H 22 7.415 7.415 7.733 -0.318 25086 1914 1 6 . 1 1 23 23 GLN N N 23 116.690 116.690 117.361 -0.671 25086 1915 1 6 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.233 -0.073 25086 1916 1 6 . 1 1 23 23 GLN C C 23 179.589 179.589 177.686 1.903 25086 1917 1 6 . 1 1 23 23 GLN CA C 23 58.515 58.515 57.988 0.527 25086 1918 1 6 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.543 -0.255 25086 1919 1 6 . 1 1 23 23 GLN H H 23 7.953 7.953 8.257 -0.304 25086 1920 1 6 . 1 1 24 24 ALA N N 24 122.104 122.104 121.813 0.291 25086 1921 1 6 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.274 -0.166 25086 1922 1 6 . 1 1 24 24 ALA C C 24 179.010 179.010 178.639 0.371 25086 1923 1 6 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.399 0.346 25086 1924 1 6 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.935 -0.216 25086 1925 1 6 . 1 1 24 24 ALA H H 24 7.617 7.617 7.187 0.430 25086 1926 1 6 . 1 1 25 25 LEU N N 25 115.630 115.630 116.736 -1.106 25086 1927 1 6 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.420 -0.114 25086 1928 1 6 . 1 1 25 25 LEU C C 25 175.862 175.862 176.196 -0.334 25086 1929 1 6 . 1 1 25 25 LEU CA C 25 54.009 54.009 55.060 -1.051 25086 1930 1 6 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.009 1.608 25086 1931 1 6 . 1 1 25 25 LEU H H 25 7.381 7.381 7.844 -0.463 25086 1932 1 6 . 1 1 26 26 ASN N N 26 118.019 118.019 114.947 3.072 25086 1933 1 6 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.429 -0.140 25086 1934 1 6 . 1 1 26 26 ASN C C 26 173.478 173.478 173.924 -0.446 25086 1935 1 6 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.062 0.132 25086 1936 1 6 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.553 0.805 25086 1937 1 6 . 1 1 26 26 ASN H H 26 7.966 7.966 7.843 0.123 25086 1938 1 6 . 1 1 27 27 LEU N N 27 118.539 118.539 115.710 2.829 25086 1939 1 6 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.887 -0.304 25086 1940 1 6 . 1 1 27 27 LEU C C 27 174.995 174.995 174.392 0.603 25086 1941 1 6 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.295 0.445 25086 1942 1 6 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.571 1.594 25086 1943 1 6 . 1 1 27 27 LEU H H 27 8.023 8.023 7.987 0.036 25086 1944 1 6 . 1 1 28 28 ASN N N 28 121.416 121.416 114.753 6.663 25086 1945 1 6 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.804 0.076 25086 1946 1 6 . 1 1 28 28 ASN C C 28 174.980 174.980 174.463 0.517 25086 1947 1 6 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.752 -0.408 25086 1948 1 6 . 1 1 28 28 ASN CB C 28 42.553 42.553 40.631 1.922 25086 1949 1 6 . 1 1 28 28 ASN H H 28 8.889 8.889 8.148 0.741 25086 1950 1 6 . 1 1 29 29 ILE N N 29 120.022 120.022 120.254 -0.232 25086 1951 1 6 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.135 -0.808 25086 1952 1 6 . 1 1 29 29 ILE C C 29 176.499 176.499 176.884 -0.385 25086 1953 1 6 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.557 0.687 25086 1954 1 6 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.843 -0.577 25086 1955 1 6 . 1 1 29 29 ILE H H 29 8.396 8.396 8.343 0.053 25086 1956 1 6 . 1 1 30 30 ASP N N 30 121.326 121.326 122.636 -1.310 25086 1957 1 6 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.389 0.012 25086 1958 1 6 . 1 1 30 30 ASP C C 30 175.994 175.994 174.977 1.017 25086 1959 1 6 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.142 2.801 25086 1960 1 6 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.534 -1.719 25086 1961 1 6 . 1 1 30 30 ASP H H 30 9.114 9.114 8.740 0.374 25086 1962 1 6 . 1 1 31 31 ASP N N 31 121.764 121.764 119.638 2.126 25086 1963 1 6 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.701 -0.008 25086 1964 1 6 . 1 1 31 31 ASP C C 31 175.904 175.904 176.121 -0.217 25086 1965 1 6 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.925 1.367 25086 1966 1 6 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.131 -0.955 25086 1967 1 6 . 1 1 31 31 ASP H H 31 8.056 8.056 7.841 0.215 25086 1968 1 6 . 1 1 32 32 GLU N N 32 120.895 120.895 124.869 -3.974 25086 1969 1 6 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.358 0.338 25086 1970 1 6 . 1 1 32 32 GLU C C 32 176.717 176.717 174.864 1.853 25086 1971 1 6 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.256 0.153 25086 1972 1 6 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.991 0.313 25086 1973 1 6 . 1 1 32 32 GLU H H 32 8.683 8.683 8.631 0.052 25086 1974 1 6 . 1 1 33 33 VAL N N 33 114.605 114.605 118.175 -3.570 25086 1975 1 6 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.484 0.522 25086 1976 1 6 . 1 1 33 33 VAL C C 33 173.447 173.447 174.483 -1.036 25086 1977 1 6 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.290 -0.862 25086 1978 1 6 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.478 0.285 25086 1979 1 6 . 1 1 33 33 VAL H H 33 8.423 8.423 8.015 0.408 25086 1980 1 6 . 1 1 34 34 LYS N N 34 122.276 122.276 124.291 -2.015 25086 1981 1 6 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.593 0.174 25086 1982 1 6 . 1 1 34 34 LYS C C 34 175.062 175.062 175.321 -0.259 25086 1983 1 6 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.419 -0.767 25086 1984 1 6 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.205 0.652 25086 1985 1 6 . 1 1 34 34 LYS H H 34 8.989 8.989 8.806 0.183 25086 1986 1 6 . 1 1 35 35 ILE N N 35 124.021 124.021 126.212 -2.191 25086 1987 1 6 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.966 0.088 25086 1988 1 6 . 1 1 35 35 ILE C C 35 174.111 174.111 175.458 -1.347 25086 1989 1 6 . 1 1 35 35 ILE CA C 35 60.238 60.238 59.613 0.625 25086 1990 1 6 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.429 1.560 25086 1991 1 6 . 1 1 35 35 ILE H H 35 8.717 8.717 8.657 0.060 25086 1992 1 6 . 1 1 36 36 ASP N N 36 126.126 126.126 128.879 -2.753 25086 1993 1 6 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.915 0.139 25086 1994 1 6 . 1 1 36 36 ASP C C 36 173.496 173.496 174.600 -1.104 25086 1995 1 6 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.524 -1.281 25086 1996 1 6 . 1 1 36 36 ASP CB C 36 45.280 45.280 42.749 2.531 25086 1997 1 6 . 1 1 36 36 ASP H H 36 8.948 8.948 8.450 0.498 25086 1998 1 6 . 1 1 37 37 LEU N N 37 123.664 123.664 124.782 -1.118 25086 1999 1 6 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.960 0.241 25086 2000 1 6 . 1 1 37 37 LEU C C 37 175.865 175.865 175.825 0.040 25086 2001 1 6 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.611 0.450 25086 2002 1 6 . 1 1 37 37 LEU CB C 37 44.306 44.306 43.114 1.192 25086 2003 1 6 . 1 1 37 37 LEU H H 37 8.629 8.629 8.590 0.039 25086 2004 1 6 . 1 1 38 38 VAL N N 38 126.795 126.795 126.375 0.420 25086 2005 1 6 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.331 -0.142 25086 2006 1 6 . 1 1 38 38 VAL C C 38 175.379 175.379 175.154 0.225 25086 2007 1 6 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.991 -0.511 25086 2008 1 6 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.357 0.745 25086 2009 1 6 . 1 1 38 38 VAL H H 38 8.772 8.772 8.450 0.322 25086 2010 1 6 . 1 1 39 39 ASP N N 39 127.355 127.355 126.865 0.490 25086 2011 1 6 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.310 -0.089 25086 2012 1 6 . 1 1 39 39 ASP C C 39 175.944 175.944 176.584 -0.640 25086 2013 1 6 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.398 -0.174 25086 2014 1 6 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.029 -0.023 25086 2015 1 6 . 1 1 39 39 ASP H H 39 9.154 9.154 9.136 0.018 25086 2016 1 6 . 1 1 40 40 GLY N N 40 103.124 103.124 103.804 -0.680 25086 2017 1 6 . 1 1 40 40 GLY C C 40 172.842 172.842 173.736 -0.894 25086 2018 1 6 . 1 1 40 40 GLY CA C 40 46.062 46.062 44.978 1.084 25086 2019 1 6 . 1 1 40 40 GLY H H 40 8.425 8.425 8.310 0.115 25086 2020 1 6 . 1 1 41 41 LYS N N 41 117.155 117.155 121.904 -4.749 25086 2021 1 6 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.465 0.280 25086 2022 1 6 . 1 1 41 41 LYS C C 41 174.385 174.385 175.480 -1.095 25086 2023 1 6 . 1 1 41 41 LYS CA C 41 54.490 54.490 55.682 -1.192 25086 2024 1 6 . 1 1 41 41 LYS CB C 41 35.244 35.244 33.635 1.609 25086 2025 1 6 . 1 1 41 41 LYS H H 41 7.676 7.676 7.825 -0.149 25086 2026 1 6 . 1 1 42 42 LEU N N 42 119.938 119.938 126.354 -6.416 25086 2027 1 6 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.377 0.689 25086 2028 1 6 . 1 1 42 42 LEU C C 42 174.895 174.895 176.479 -1.584 25086 2029 1 6 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.304 -0.744 25086 2030 1 6 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.483 0.965 25086 2031 1 6 . 1 1 42 42 LEU H H 42 8.585 8.585 8.560 0.025 25086 2032 1 6 . 1 1 43 43 ILE N N 43 123.764 123.764 126.915 -3.151 25086 2033 1 6 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.260 0.665 25086 2034 1 6 . 1 1 43 43 ILE C C 43 175.893 175.893 174.515 1.378 25086 2035 1 6 . 1 1 43 43 ILE CA C 43 59.287 59.287 60.129 -0.842 25086 2036 1 6 . 1 1 43 43 ILE CB C 43 39.178 39.178 39.326 -0.148 25086 2037 1 6 . 1 1 43 43 ILE H H 43 9.075 9.075 8.253 0.822 25086 2038 1 6 . 1 1 44 44 ILE N N 44 126.815 126.815 129.155 -2.340 25086 2039 1 6 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.550 0.406 25086 2040 1 6 . 1 1 44 44 ILE C C 44 174.230 174.230 175.487 -1.257 25086 2041 1 6 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.153 1.065 25086 2042 1 6 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.992 1.169 25086 2043 1 6 . 1 1 44 44 ILE H H 44 9.411 9.411 8.589 0.822 25086 2044 1 6 . 1 1 45 45 GLU N N 45 126.742 126.742 129.806 -3.064 25086 2045 1 6 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.872 0.302 25086 2046 1 6 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.649 -0.698 25086 2047 1 6 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.784 1.082 25086 2048 1 6 . 1 1 45 45 GLU H H 45 8.929 8.929 9.093 -0.164 25086 2049 1 6 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.279 0.273 25086 2050 1 6 . 1 1 46 46 PRO C C 46 175.856 175.856 176.365 -0.509 25086 2051 1 6 . 1 1 46 46 PRO CA C 46 63.215 63.215 63.282 -0.067 25086 2052 1 6 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.438 -0.000 25086 2053 1 6 . 1 1 47 47 VAL N N 47 123.846 123.846 121.143 2.703 25086 2054 1 6 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.189 -0.172 25086 2055 1 6 . 1 1 47 47 VAL C C 47 175.776 175.776 175.312 0.464 25086 2056 1 6 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.094 1.562 25086 2057 1 6 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.157 0.114 25086 2058 1 6 . 1 1 47 47 VAL H H 47 7.893 7.893 8.004 -0.111 25086 2059 1 6 . 1 1 48 48 ARG N N 48 126.674 126.674 128.240 -1.566 25086 2060 1 6 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.357 0.049 25086 2061 1 6 . 1 1 48 48 ARG C C 48 175.887 175.887 176.111 -0.224 25086 2062 1 6 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.184 -0.664 25086 2063 1 6 . 1 1 48 48 ARG CB C 48 30.801 30.801 31.186 -0.385 25086 2064 1 6 . 1 1 48 48 ARG H H 48 8.646 8.646 8.499 0.147 25086 2065 1 6 . 1 1 49 49 LYS N N 49 124.176 124.176 124.383 -0.207 25086 2066 1 6 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.402 -0.043 25086 2067 1 6 . 1 1 49 49 LYS C C 49 175.579 175.579 176.025 -0.446 25086 2068 1 6 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.190 -0.020 25086 2069 1 6 . 1 1 49 49 LYS CB C 49 33.218 33.218 32.021 1.197 25086 2070 1 6 . 1 1 49 49 LYS H H 49 8.563 8.563 8.455 0.108 25086 2071 1 7 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.728 -0.121 25086 2072 1 7 . 1 1 -15 -15 HIS C C -15 174.805 174.805 175.289 -0.484 25086 2073 1 7 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.627 0.471 25086 2074 1 7 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 31.088 -0.708 25086 2075 1 7 . 1 1 -14 -14 LYS N N -14 122.750 122.750 117.731 5.019 25086 2076 1 7 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.119 0.124 25086 2077 1 7 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.677 0.473 25086 2078 1 7 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 56.539 -0.191 25086 2079 1 7 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 31.297 1.688 25086 2080 1 7 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.715 -0.361 25086 2081 1 7 . 1 1 -13 -13 VAL N N -13 121.546 121.546 115.994 5.552 25086 2082 1 7 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.933 0.045 25086 2083 1 7 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.948 -1.337 25086 2084 1 7 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.451 -0.303 25086 2085 1 7 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 30.198 2.617 25086 2086 1 7 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.923 0.175 25086 2087 1 7 . 1 1 -12 -12 HIS N N -12 123.329 123.329 125.578 -2.249 25086 2088 1 7 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 57.184 -1.658 25086 2089 1 7 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 29.823 0.617 25086 2090 1 7 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.013 0.425 25086 2091 1 7 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.644 -0.038 25086 2092 1 7 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.163 0.551 25086 2093 1 7 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 54.129 1.852 25086 2094 1 7 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 32.150 -2.244 25086 2095 1 7 . 1 1 -6 -6 MET N N -6 122.431 122.431 122.954 -0.523 25086 2096 1 7 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.179 0.274 25086 2097 1 7 . 1 1 -6 -6 MET C C -6 176.091 176.091 176.223 -0.132 25086 2098 1 7 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.226 1.432 25086 2099 1 7 . 1 1 -6 -6 MET CB C -6 32.952 32.952 30.598 2.354 25086 2100 1 7 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.760 -0.240 25086 2101 1 7 . 1 1 -5 -5 SER N N -5 116.616 116.616 117.915 -1.299 25086 2102 1 7 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.398 0.046 25086 2103 1 7 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.193 -0.731 25086 2104 1 7 . 1 1 -5 -5 SER CA C -5 58.379 58.379 57.990 0.389 25086 2105 1 7 . 1 1 -5 -5 SER CB C -5 63.989 63.989 63.569 0.420 25086 2106 1 7 . 1 1 -5 -5 SER H H -5 8.410 8.410 7.923 0.487 25086 2107 1 7 . 1 1 -4 -4 ASP N N -4 122.320 122.320 129.486 -7.166 25086 2108 1 7 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.522 0.080 25086 2109 1 7 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.071 -0.873 25086 2110 1 7 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.379 -1.599 25086 2111 1 7 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.342 -0.225 25086 2112 1 7 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.525 -0.096 25086 2113 1 7 . 1 1 -3 -3 ASP N N -3 119.793 119.793 118.040 1.753 25086 2114 1 7 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.413 0.151 25086 2115 1 7 . 1 1 -3 -3 ASP C C -3 176.246 176.246 178.130 -1.884 25086 2116 1 7 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.670 -1.941 25086 2117 1 7 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.136 0.058 25086 2118 1 7 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.328 -0.122 25086 2119 1 7 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.605 1.665 25086 2120 1 7 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.505 0.062 25086 2121 1 7 . 1 1 -2 -2 ASP C C -2 176.053 176.053 177.491 -1.438 25086 2122 1 7 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 56.500 -1.762 25086 2123 1 7 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.525 -0.281 25086 2124 1 7 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.725 0.445 25086 2125 1 7 . 1 1 -1 -1 ASP N N -1 120.279 120.279 118.141 2.138 25086 2126 1 7 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.696 -0.106 25086 2127 1 7 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.329 -0.023 25086 2128 1 7 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 53.923 0.492 25086 2129 1 7 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.917 0.187 25086 2130 1 7 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.751 0.474 25086 2131 1 7 . 1 1 0 0 LYS N N 0 121.408 121.408 118.969 2.439 25086 2132 1 7 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.272 0.113 25086 2133 1 7 . 1 1 0 0 LYS C C 0 177.017 177.017 177.230 -0.213 25086 2134 1 7 . 1 1 0 0 LYS CA C 0 56.097 56.097 57.314 -1.217 25086 2135 1 7 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.330 -0.360 25086 2136 1 7 . 1 1 0 0 LYS H H 0 8.251 8.251 7.579 0.672 25086 2137 1 7 . 1 1 1 1 GLY N N 1 109.054 109.054 108.237 0.817 25086 2138 1 7 . 1 1 1 1 GLY C C 1 173.630 173.630 174.515 -0.885 25086 2139 1 7 . 1 1 1 1 GLY CA C 1 45.285 45.285 45.992 -0.707 25086 2140 1 7 . 1 1 1 1 GLY H H 1 8.370 8.370 8.162 0.208 25086 2141 1 7 . 1 1 2 2 ILE N N 2 120.862 120.862 126.141 -5.279 25086 2142 1 7 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.326 -0.029 25086 2143 1 7 . 1 1 2 2 ILE C C 2 175.993 175.993 175.346 0.647 25086 2144 1 7 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.826 0.006 25086 2145 1 7 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.702 1.031 25086 2146 1 7 . 1 1 2 2 ILE H H 2 8.579 8.579 8.203 0.376 25086 2147 1 7 . 1 1 3 3 HIS N N 3 124.483 124.483 125.414 -0.931 25086 2148 1 7 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.866 0.368 25086 2149 1 7 . 1 1 3 3 HIS C C 3 174.751 174.751 174.391 0.360 25086 2150 1 7 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.540 -0.255 25086 2151 1 7 . 1 1 3 3 HIS CB C 3 30.076 30.076 29.669 0.407 25086 2152 1 7 . 1 1 3 3 HIS H H 3 8.920 8.920 8.796 0.124 25086 2153 1 7 . 1 1 4 4 SER N N 4 117.417 117.417 119.900 -2.483 25086 2154 1 7 . 1 1 4 4 SER HA H 4 4.712 4.712 4.770 -0.058 25086 2155 1 7 . 1 1 4 4 SER C C 4 174.112 174.112 173.736 0.376 25086 2156 1 7 . 1 1 4 4 SER CA C 4 56.102 56.102 57.397 -1.295 25086 2157 1 7 . 1 1 4 4 SER CB C 4 64.679 64.679 64.165 0.514 25086 2158 1 7 . 1 1 4 4 SER H H 4 8.925 8.925 8.846 0.079 25086 2159 1 7 . 1 1 5 5 SER N N 5 114.372 114.372 116.040 -1.668 25086 2160 1 7 . 1 1 5 5 SER HA H 5 5.390 5.390 4.779 0.611 25086 2161 1 7 . 1 1 5 5 SER C C 5 173.075 173.075 172.779 0.296 25086 2162 1 7 . 1 1 5 5 SER CA C 5 57.153 57.153 57.912 -0.759 25086 2163 1 7 . 1 1 5 5 SER CB C 5 65.752 65.752 64.645 1.107 25086 2164 1 7 . 1 1 5 5 SER H H 5 8.623 8.623 8.140 0.483 25086 2165 1 7 . 1 1 6 6 VAL N N 6 121.311 121.311 122.332 -1.021 25086 2166 1 7 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.085 0.084 25086 2167 1 7 . 1 1 6 6 VAL C C 6 175.872 175.872 175.847 0.025 25086 2168 1 7 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.387 0.359 25086 2169 1 7 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.417 -0.920 25086 2170 1 7 . 1 1 6 6 VAL H H 6 8.384 8.384 8.526 -0.142 25086 2171 1 7 . 1 1 7 7 LYS N N 7 128.341 128.341 128.549 -0.208 25086 2172 1 7 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.780 0.185 25086 2173 1 7 . 1 1 7 7 LYS C C 7 174.655 174.655 174.681 -0.026 25086 2174 1 7 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.563 0.046 25086 2175 1 7 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.653 0.921 25086 2176 1 7 . 1 1 7 7 LYS H H 7 9.042 9.042 9.003 0.039 25086 2177 1 7 . 1 1 8 8 ARG N N 8 120.527 120.527 121.462 -0.935 25086 2178 1 7 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.710 -0.346 25086 2179 1 7 . 1 1 8 8 ARG C C 8 174.148 174.148 175.605 -1.457 25086 2180 1 7 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.934 0.242 25086 2181 1 7 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.683 -0.177 25086 2182 1 7 . 1 1 8 8 ARG H H 8 8.791 8.791 8.675 0.116 25086 2183 1 7 . 1 1 9 9 TRP N N 9 131.164 131.164 130.605 0.559 25086 2184 1 7 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.719 -0.067 25086 2185 1 7 . 1 1 9 9 TRP C C 9 176.351 176.351 175.902 0.449 25086 2186 1 7 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.795 -1.758 25086 2187 1 7 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.231 -1.165 25086 2188 1 7 . 1 1 9 9 TRP H H 9 8.994 8.994 9.155 -0.161 25086 2189 1 7 . 1 1 10 10 GLY N N 10 117.757 117.757 118.177 -0.420 25086 2190 1 7 . 1 1 10 10 GLY C C 10 173.798 173.798 173.589 0.209 25086 2191 1 7 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.486 0.838 25086 2192 1 7 . 1 1 10 10 GLY H H 10 9.134 9.134 8.227 0.907 25086 2193 1 7 . 1 1 11 11 ASN N N 11 125.396 125.396 122.500 2.896 25086 2194 1 7 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.787 -0.018 25086 2195 1 7 . 1 1 11 11 ASN C C 11 175.190 175.190 174.492 0.698 25086 2196 1 7 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.521 0.221 25086 2197 1 7 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.392 0.918 25086 2198 1 7 . 1 1 11 11 ASN H H 11 8.667 8.667 8.519 0.148 25086 2199 1 7 . 1 1 12 12 SER N N 12 115.939 115.939 117.516 -1.577 25086 2200 1 7 . 1 1 12 12 SER HA H 12 5.038 5.038 4.884 0.154 25086 2201 1 7 . 1 1 12 12 SER CA C 12 56.293 56.293 55.971 0.322 25086 2202 1 7 . 1 1 12 12 SER CB C 12 65.254 65.254 65.257 -0.003 25086 2203 1 7 . 1 1 12 12 SER H H 12 7.798 7.798 7.702 0.096 25086 2204 1 7 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.884 -0.021 25086 2205 1 7 . 1 1 13 13 PRO C C 13 177.322 177.322 175.951 1.371 25086 2206 1 7 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.687 -0.558 25086 2207 1 7 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.700 0.918 25086 2208 1 7 . 1 1 14 14 ALA N N 14 125.096 125.096 129.174 -4.078 25086 2209 1 7 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.881 0.408 25086 2210 1 7 . 1 1 14 14 ALA C C 14 174.888 174.888 175.170 -0.282 25086 2211 1 7 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.292 0.478 25086 2212 1 7 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.949 1.322 25086 2213 1 7 . 1 1 14 14 ALA H H 14 9.419 9.419 9.177 0.242 25086 2214 1 7 . 1 1 15 15 VAL N N 15 116.316 116.316 122.044 -5.728 25086 2215 1 7 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.420 0.321 25086 2216 1 7 . 1 1 15 15 VAL C C 15 175.375 175.375 175.633 -0.258 25086 2217 1 7 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.876 -1.044 25086 2218 1 7 . 1 1 15 15 VAL CB C 15 35.541 35.541 34.942 0.599 25086 2219 1 7 . 1 1 15 15 VAL H H 15 8.491 8.491 8.505 -0.014 25086 2220 1 7 . 1 1 16 16 ARG N N 16 125.595 125.595 127.189 -1.594 25086 2221 1 7 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.413 0.320 25086 2222 1 7 . 1 1 16 16 ARG C C 16 176.071 176.071 175.517 0.554 25086 2223 1 7 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.794 0.409 25086 2224 1 7 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.733 -0.240 25086 2225 1 7 . 1 1 16 16 ARG H H 16 8.812 8.812 8.661 0.151 25086 2226 1 7 . 1 1 17 17 ILE N N 17 123.572 123.572 126.534 -2.962 25086 2227 1 7 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.301 0.094 25086 2228 1 7 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.281 -0.690 25086 2229 1 7 . 1 1 17 17 ILE CB C 17 38.781 38.781 37.713 1.068 25086 2230 1 7 . 1 1 17 17 ILE H H 17 8.020 8.020 8.404 -0.384 25086 2231 1 7 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.428 -0.037 25086 2232 1 7 . 1 1 18 18 PRO C C 18 177.860 177.860 177.189 0.671 25086 2233 1 7 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.624 0.244 25086 2234 1 7 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.434 0.403 25086 2235 1 7 . 1 1 19 19 ALA N N 19 128.602 128.602 128.587 0.015 25086 2236 1 7 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.052 -0.114 25086 2237 1 7 . 1 1 19 19 ALA C C 19 180.059 180.059 179.589 0.470 25086 2238 1 7 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.300 0.575 25086 2239 1 7 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.375 -0.075 25086 2240 1 7 . 1 1 19 19 ALA H H 19 8.975 8.975 8.684 0.291 25086 2241 1 7 . 1 1 20 20 THR N N 20 108.352 108.352 114.991 -6.639 25086 2242 1 7 . 1 1 20 20 THR HA H 20 4.041 4.041 4.031 0.010 25086 2243 1 7 . 1 1 20 20 THR C C 20 177.381 177.381 175.753 1.628 25086 2244 1 7 . 1 1 20 20 THR CA C 20 64.688 64.688 66.581 -1.892 25086 2245 1 7 . 1 1 20 20 THR CB C 20 68.155 68.155 68.383 -0.228 25086 2246 1 7 . 1 1 20 20 THR H H 20 8.263 8.263 8.230 0.033 25086 2247 1 7 . 1 1 21 21 LEU N N 21 121.199 121.199 120.571 0.628 25086 2248 1 7 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.241 -0.015 25086 2249 1 7 . 1 1 21 21 LEU C C 21 178.002 178.002 178.453 -0.451 25086 2250 1 7 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.050 -0.107 25086 2251 1 7 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.380 -0.347 25086 2252 1 7 . 1 1 21 21 LEU H H 21 7.040 7.040 7.662 -0.622 25086 2253 1 7 . 1 1 22 22 MET N N 22 117.150 117.150 118.588 -1.438 25086 2254 1 7 . 1 1 22 22 MET HA H 22 4.019 4.019 3.955 0.064 25086 2255 1 7 . 1 1 22 22 MET C C 22 178.951 178.951 178.829 0.122 25086 2256 1 7 . 1 1 22 22 MET CA C 22 57.881 57.881 58.855 -0.974 25086 2257 1 7 . 1 1 22 22 MET CB C 22 30.803 30.803 31.489 -0.686 25086 2258 1 7 . 1 1 22 22 MET H H 22 7.415 7.415 8.305 -0.890 25086 2259 1 7 . 1 1 23 23 GLN N N 23 116.690 116.690 116.406 0.284 25086 2260 1 7 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.241 -0.081 25086 2261 1 7 . 1 1 23 23 GLN C C 23 179.589 179.589 177.940 1.649 25086 2262 1 7 . 1 1 23 23 GLN CA C 23 58.515 58.515 57.846 0.669 25086 2263 1 7 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.552 -0.264 25086 2264 1 7 . 1 1 23 23 GLN H H 23 7.953 7.953 8.162 -0.209 25086 2265 1 7 . 1 1 24 24 ALA N N 24 122.104 122.104 122.265 -0.161 25086 2266 1 7 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.192 -0.084 25086 2267 1 7 . 1 1 24 24 ALA C C 24 179.010 179.010 178.286 0.724 25086 2268 1 7 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.455 0.291 25086 2269 1 7 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.142 -0.423 25086 2270 1 7 . 1 1 24 24 ALA H H 24 7.617 7.617 7.296 0.321 25086 2271 1 7 . 1 1 25 25 LEU N N 25 115.630 115.630 115.882 -0.252 25086 2272 1 7 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.507 -0.201 25086 2273 1 7 . 1 1 25 25 LEU C C 25 175.862 175.862 176.838 -0.976 25086 2274 1 7 . 1 1 25 25 LEU CA C 25 54.009 54.009 55.253 -1.244 25086 2275 1 7 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.245 1.372 25086 2276 1 7 . 1 1 25 25 LEU H H 25 7.381 7.381 7.860 -0.479 25086 2277 1 7 . 1 1 26 26 ASN N N 26 118.019 118.019 117.496 0.523 25086 2278 1 7 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.407 -0.118 25086 2279 1 7 . 1 1 26 26 ASN C C 26 173.478 173.478 173.907 -0.429 25086 2280 1 7 . 1 1 26 26 ASN CA C 26 54.193 54.193 53.889 0.304 25086 2281 1 7 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.532 0.826 25086 2282 1 7 . 1 1 26 26 ASN H H 26 7.966 7.966 7.902 0.064 25086 2283 1 7 . 1 1 27 27 LEU N N 27 118.539 118.539 115.413 3.126 25086 2284 1 7 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.882 -0.299 25086 2285 1 7 . 1 1 27 27 LEU C C 27 174.995 174.995 174.935 0.060 25086 2286 1 7 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.889 -0.149 25086 2287 1 7 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.611 1.554 25086 2288 1 7 . 1 1 27 27 LEU H H 27 8.023 8.023 8.192 -0.169 25086 2289 1 7 . 1 1 28 28 ASN N N 28 121.416 121.416 116.324 5.092 25086 2290 1 7 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.934 -0.054 25086 2291 1 7 . 1 1 28 28 ASN C C 28 174.980 174.980 174.286 0.694 25086 2292 1 7 . 1 1 28 28 ASN CA C 28 51.344 51.344 52.132 -0.788 25086 2293 1 7 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.431 1.122 25086 2294 1 7 . 1 1 28 28 ASN H H 28 8.889 8.889 8.312 0.577 25086 2295 1 7 . 1 1 29 29 ILE N N 29 120.022 120.022 121.406 -1.384 25086 2296 1 7 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.129 -0.802 25086 2297 1 7 . 1 1 29 29 ILE C C 29 176.499 176.499 176.450 0.049 25086 2298 1 7 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.277 0.967 25086 2299 1 7 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.069 -0.803 25086 2300 1 7 . 1 1 29 29 ILE H H 29 8.396 8.396 8.352 0.044 25086 2301 1 7 . 1 1 30 30 ASP N N 30 121.326 121.326 122.034 -0.708 25086 2302 1 7 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.384 0.017 25086 2303 1 7 . 1 1 30 30 ASP C C 30 175.994 175.994 174.942 1.052 25086 2304 1 7 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.177 2.766 25086 2305 1 7 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.315 -1.500 25086 2306 1 7 . 1 1 30 30 ASP H H 30 9.114 9.114 8.749 0.365 25086 2307 1 7 . 1 1 31 31 ASP N N 31 121.764 121.764 119.816 1.948 25086 2308 1 7 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.748 -0.055 25086 2309 1 7 . 1 1 31 31 ASP C C 31 175.904 175.904 175.487 0.417 25086 2310 1 7 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.715 1.577 25086 2311 1 7 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.377 -1.201 25086 2312 1 7 . 1 1 31 31 ASP H H 31 8.056 8.056 8.001 0.055 25086 2313 1 7 . 1 1 32 32 GLU N N 32 120.895 120.895 125.203 -4.308 25086 2314 1 7 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.270 0.426 25086 2315 1 7 . 1 1 32 32 GLU C C 32 176.717 176.717 174.978 1.739 25086 2316 1 7 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.360 0.049 25086 2317 1 7 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.470 0.834 25086 2318 1 7 . 1 1 32 32 GLU H H 32 8.683 8.683 8.644 0.039 25086 2319 1 7 . 1 1 33 33 VAL N N 33 114.605 114.605 118.426 -3.821 25086 2320 1 7 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.422 0.584 25086 2321 1 7 . 1 1 33 33 VAL C C 33 173.447 173.447 174.663 -1.216 25086 2322 1 7 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.307 -0.879 25086 2323 1 7 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.989 0.775 25086 2324 1 7 . 1 1 33 33 VAL H H 33 8.423 8.423 8.038 0.385 25086 2325 1 7 . 1 1 34 34 LYS N N 34 122.276 122.276 124.684 -2.408 25086 2326 1 7 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.597 0.170 25086 2327 1 7 . 1 1 34 34 LYS C C 34 175.062 175.062 175.425 -0.363 25086 2328 1 7 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.658 -1.006 25086 2329 1 7 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.713 1.144 25086 2330 1 7 . 1 1 34 34 LYS H H 34 8.989 8.989 8.137 0.852 25086 2331 1 7 . 1 1 35 35 ILE N N 35 124.021 124.021 126.013 -1.992 25086 2332 1 7 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.765 0.289 25086 2333 1 7 . 1 1 35 35 ILE C C 35 174.111 174.111 175.074 -0.963 25086 2334 1 7 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.142 0.096 25086 2335 1 7 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.992 0.997 25086 2336 1 7 . 1 1 35 35 ILE H H 35 8.717 8.717 8.593 0.124 25086 2337 1 7 . 1 1 36 36 ASP N N 36 126.126 126.126 128.135 -2.009 25086 2338 1 7 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.951 0.103 25086 2339 1 7 . 1 1 36 36 ASP C C 36 173.496 173.496 174.337 -0.841 25086 2340 1 7 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.412 -0.169 25086 2341 1 7 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.490 0.790 25086 2342 1 7 . 1 1 36 36 ASP H H 36 8.948 8.948 8.699 0.249 25086 2343 1 7 . 1 1 37 37 LEU N N 37 123.664 123.664 125.265 -1.601 25086 2344 1 7 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.068 0.133 25086 2345 1 7 . 1 1 37 37 LEU C C 37 175.865 175.865 175.597 0.268 25086 2346 1 7 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.453 -0.392 25086 2347 1 7 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.511 1.795 25086 2348 1 7 . 1 1 37 37 LEU H H 37 8.629 8.629 8.585 0.044 25086 2349 1 7 . 1 1 38 38 VAL N N 38 126.795 126.795 127.047 -0.252 25086 2350 1 7 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.320 -0.131 25086 2351 1 7 . 1 1 38 38 VAL C C 38 175.379 175.379 175.347 0.032 25086 2352 1 7 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.389 0.091 25086 2353 1 7 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.950 0.152 25086 2354 1 7 . 1 1 38 38 VAL H H 38 8.772 8.772 9.016 -0.244 25086 2355 1 7 . 1 1 39 39 ASP N N 39 127.355 127.355 126.490 0.865 25086 2356 1 7 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.312 -0.091 25086 2357 1 7 . 1 1 39 39 ASP C C 39 175.944 175.944 176.761 -0.817 25086 2358 1 7 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.514 -0.290 25086 2359 1 7 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.185 -0.179 25086 2360 1 7 . 1 1 39 39 ASP H H 39 9.154 9.154 9.217 -0.063 25086 2361 1 7 . 1 1 40 40 GLY N N 40 103.124 103.124 102.314 0.810 25086 2362 1 7 . 1 1 40 40 GLY C C 40 172.842 172.842 173.767 -0.925 25086 2363 1 7 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.019 1.043 25086 2364 1 7 . 1 1 40 40 GLY H H 40 8.425 8.425 8.456 -0.031 25086 2365 1 7 . 1 1 41 41 LYS N N 41 117.155 117.155 120.518 -3.363 25086 2366 1 7 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.671 0.074 25086 2367 1 7 . 1 1 41 41 LYS C C 41 174.385 174.385 175.022 -0.637 25086 2368 1 7 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.055 0.435 25086 2369 1 7 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.044 0.200 25086 2370 1 7 . 1 1 41 41 LYS H H 41 7.676 7.676 8.062 -0.386 25086 2371 1 7 . 1 1 42 42 LEU N N 42 119.938 119.938 122.958 -3.020 25086 2372 1 7 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.593 0.473 25086 2373 1 7 . 1 1 42 42 LEU C C 42 174.895 174.895 176.836 -1.941 25086 2374 1 7 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.310 -0.750 25086 2375 1 7 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.491 0.957 25086 2376 1 7 . 1 1 42 42 LEU H H 42 8.585 8.585 8.645 -0.060 25086 2377 1 7 . 1 1 43 43 ILE N N 43 123.764 123.764 126.557 -2.793 25086 2378 1 7 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.197 0.728 25086 2379 1 7 . 1 1 43 43 ILE C C 43 175.893 175.893 174.725 1.168 25086 2380 1 7 . 1 1 43 43 ILE CA C 43 59.287 59.287 60.031 -0.744 25086 2381 1 7 . 1 1 43 43 ILE CB C 43 39.178 39.178 36.510 2.668 25086 2382 1 7 . 1 1 43 43 ILE H H 43 9.075 9.075 9.076 -0.001 25086 2383 1 7 . 1 1 44 44 ILE N N 44 126.815 126.815 129.333 -2.518 25086 2384 1 7 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.919 0.037 25086 2385 1 7 . 1 1 44 44 ILE C C 44 174.230 174.230 175.805 -1.575 25086 2386 1 7 . 1 1 44 44 ILE CA C 44 60.218 60.218 60.273 -0.055 25086 2387 1 7 . 1 1 44 44 ILE CB C 44 39.161 39.161 39.492 -0.331 25086 2388 1 7 . 1 1 44 44 ILE H H 44 9.411 9.411 8.099 1.312 25086 2389 1 7 . 1 1 45 45 GLU N N 45 126.742 126.742 130.099 -3.357 25086 2390 1 7 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.862 0.312 25086 2391 1 7 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.213 -0.262 25086 2392 1 7 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.335 1.531 25086 2393 1 7 . 1 1 45 45 GLU H H 45 8.929 8.929 8.458 0.471 25086 2394 1 7 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.333 0.219 25086 2395 1 7 . 1 1 46 46 PRO C C 46 175.856 175.856 176.179 -0.323 25086 2396 1 7 . 1 1 46 46 PRO CA C 46 63.215 63.215 63.046 0.169 25086 2397 1 7 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.315 0.123 25086 2398 1 7 . 1 1 47 47 VAL N N 47 123.846 123.846 122.563 1.283 25086 2399 1 7 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.204 -0.187 25086 2400 1 7 . 1 1 47 47 VAL C C 47 175.776 175.776 175.513 0.263 25086 2401 1 7 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.373 1.283 25086 2402 1 7 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.963 0.308 25086 2403 1 7 . 1 1 47 47 VAL H H 47 7.893 7.893 7.887 0.006 25086 2404 1 7 . 1 1 48 48 ARG N N 48 126.674 126.674 128.039 -1.365 25086 2405 1 7 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.305 0.101 25086 2406 1 7 . 1 1 48 48 ARG C C 48 175.887 175.887 176.152 -0.265 25086 2407 1 7 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.173 -0.653 25086 2408 1 7 . 1 1 48 48 ARG CB C 48 30.801 30.801 31.141 -0.340 25086 2409 1 7 . 1 1 48 48 ARG H H 48 8.646 8.646 8.180 0.466 25086 2410 1 7 . 1 1 49 49 LYS N N 49 124.176 124.176 123.295 0.881 25086 2411 1 7 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.471 -0.112 25086 2412 1 7 . 1 1 49 49 LYS C C 49 175.579 175.579 175.642 -0.063 25086 2413 1 7 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.918 0.252 25086 2414 1 7 . 1 1 49 49 LYS CB C 49 33.218 33.218 32.124 1.094 25086 2415 1 7 . 1 1 49 49 LYS H H 49 8.563 8.563 8.410 0.153 25086 2416 1 8 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.765 -0.158 25086 2417 1 8 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.986 -0.181 25086 2418 1 8 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.565 0.534 25086 2419 1 8 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 31.341 -0.961 25086 2420 1 8 . 1 1 -14 -14 LYS N N -14 122.750 122.750 124.950 -2.200 25086 2421 1 8 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.464 -0.221 25086 2422 1 8 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.809 0.341 25086 2423 1 8 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.720 0.628 25086 2424 1 8 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 31.823 1.162 25086 2425 1 8 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.630 -0.276 25086 2426 1 8 . 1 1 -13 -13 VAL N N -13 121.546 121.546 123.692 -2.146 25086 2427 1 8 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.729 0.249 25086 2428 1 8 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.405 0.206 25086 2429 1 8 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 63.128 -0.980 25086 2430 1 8 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.288 0.526 25086 2431 1 8 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.882 0.216 25086 2432 1 8 . 1 1 -12 -12 HIS N N -12 123.329 123.329 126.754 -3.425 25086 2433 1 8 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 57.164 -1.638 25086 2434 1 8 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 27.944 2.496 25086 2435 1 8 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.918 -0.480 25086 2436 1 8 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.879 -0.273 25086 2437 1 8 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.062 -0.348 25086 2438 1 8 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 54.803 1.177 25086 2439 1 8 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 32.090 -2.184 25086 2440 1 8 . 1 1 -6 -6 MET N N -6 122.431 122.431 125.969 -3.538 25086 2441 1 8 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.455 -0.002 25086 2442 1 8 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.241 0.850 25086 2443 1 8 . 1 1 -6 -6 MET CA C -6 55.658 55.658 56.452 -0.794 25086 2444 1 8 . 1 1 -6 -6 MET CB C -6 32.952 32.952 32.165 0.787 25086 2445 1 8 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.717 -0.197 25086 2446 1 8 . 1 1 -5 -5 SER N N -5 116.616 116.616 121.822 -5.206 25086 2447 1 8 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.657 -0.213 25086 2448 1 8 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.518 -0.056 25086 2449 1 8 . 1 1 -5 -5 SER CA C -5 58.379 58.379 56.692 1.687 25086 2450 1 8 . 1 1 -5 -5 SER CB C -5 63.989 63.989 61.411 2.578 25086 2451 1 8 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.684 -0.274 25086 2452 1 8 . 1 1 -4 -4 ASP N N -4 122.320 122.320 121.928 0.392 25086 2453 1 8 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.414 0.188 25086 2454 1 8 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.910 -1.712 25086 2455 1 8 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 58.018 -3.238 25086 2456 1 8 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.699 0.418 25086 2457 1 8 . 1 1 -4 -4 ASP H H -4 8.429 8.429 7.717 0.712 25086 2458 1 8 . 1 1 -3 -3 ASP N N -3 119.793 119.793 118.289 1.504 25086 2459 1 8 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.431 0.133 25086 2460 1 8 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.178 -0.932 25086 2461 1 8 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.609 -1.880 25086 2462 1 8 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.321 -0.127 25086 2463 1 8 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.545 -0.339 25086 2464 1 8 . 1 1 -2 -2 ASP N N -2 120.270 120.270 117.913 2.357 25086 2465 1 8 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.663 -0.096 25086 2466 1 8 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.780 0.273 25086 2467 1 8 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.836 -1.098 25086 2468 1 8 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.950 -1.706 25086 2469 1 8 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.831 0.339 25086 2470 1 8 . 1 1 -1 -1 ASP N N -1 120.279 120.279 118.903 1.376 25086 2471 1 8 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.804 -0.214 25086 2472 1 8 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.981 -0.675 25086 2473 1 8 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 53.556 0.860 25086 2474 1 8 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.300 -0.196 25086 2475 1 8 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.942 0.283 25086 2476 1 8 . 1 1 0 0 LYS N N 0 121.408 121.408 125.437 -4.029 25086 2477 1 8 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.533 -0.148 25086 2478 1 8 . 1 1 0 0 LYS C C 0 177.017 177.017 177.366 -0.349 25086 2479 1 8 . 1 1 0 0 LYS CA C 0 56.097 56.097 57.021 -0.924 25086 2480 1 8 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.860 0.109 25086 2481 1 8 . 1 1 0 0 LYS H H 0 8.251 8.251 8.106 0.145 25086 2482 1 8 . 1 1 1 1 GLY N N 1 109.054 109.054 109.067 -0.013 25086 2483 1 8 . 1 1 1 1 GLY C C 1 173.630 173.630 174.511 -0.881 25086 2484 1 8 . 1 1 1 1 GLY CA C 1 45.285 45.285 45.231 0.054 25086 2485 1 8 . 1 1 1 1 GLY H H 1 8.370 8.370 8.332 0.038 25086 2486 1 8 . 1 1 2 2 ILE N N 2 120.862 120.862 120.379 0.483 25086 2487 1 8 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.965 0.332 25086 2488 1 8 . 1 1 2 2 ILE C C 2 175.993 175.993 176.005 -0.012 25086 2489 1 8 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.597 -0.765 25086 2490 1 8 . 1 1 2 2 ILE CB C 2 39.733 39.733 37.728 2.005 25086 2491 1 8 . 1 1 2 2 ILE H H 2 8.579 8.579 7.951 0.628 25086 2492 1 8 . 1 1 3 3 HIS N N 3 124.483 124.483 127.764 -3.281 25086 2493 1 8 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.805 0.429 25086 2494 1 8 . 1 1 3 3 HIS C C 3 174.751 174.751 174.863 -0.112 25086 2495 1 8 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.963 -0.678 25086 2496 1 8 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.098 -0.022 25086 2497 1 8 . 1 1 3 3 HIS H H 3 8.920 8.920 8.745 0.175 25086 2498 1 8 . 1 1 4 4 SER N N 4 117.417 117.417 120.836 -3.419 25086 2499 1 8 . 1 1 4 4 SER HA H 4 4.712 4.712 4.770 -0.058 25086 2500 1 8 . 1 1 4 4 SER C C 4 174.112 174.112 173.448 0.664 25086 2501 1 8 . 1 1 4 4 SER CA C 4 56.102 56.102 57.432 -1.330 25086 2502 1 8 . 1 1 4 4 SER CB C 4 64.679 64.679 64.875 -0.196 25086 2503 1 8 . 1 1 4 4 SER H H 4 8.925 8.925 8.614 0.311 25086 2504 1 8 . 1 1 5 5 SER N N 5 114.372 114.372 114.833 -0.461 25086 2505 1 8 . 1 1 5 5 SER HA H 5 5.390 5.390 4.620 0.769 25086 2506 1 8 . 1 1 5 5 SER C C 5 173.075 173.075 172.858 0.217 25086 2507 1 8 . 1 1 5 5 SER CA C 5 57.153 57.153 58.178 -1.025 25086 2508 1 8 . 1 1 5 5 SER CB C 5 65.752 65.752 64.378 1.374 25086 2509 1 8 . 1 1 5 5 SER H H 5 8.623 8.623 8.169 0.454 25086 2510 1 8 . 1 1 6 6 VAL N N 6 121.311 121.311 126.302 -4.991 25086 2511 1 8 . 1 1 6 6 VAL HA H 6 4.169 4.169 3.992 0.177 25086 2512 1 8 . 1 1 6 6 VAL C C 6 175.872 175.872 175.717 0.155 25086 2513 1 8 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.831 -0.086 25086 2514 1 8 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.147 -0.650 25086 2515 1 8 . 1 1 6 6 VAL H H 6 8.384 8.384 8.575 -0.191 25086 2516 1 8 . 1 1 7 7 LYS N N 7 128.341 128.341 129.057 -0.716 25086 2517 1 8 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.809 0.156 25086 2518 1 8 . 1 1 7 7 LYS C C 7 174.655 174.655 174.847 -0.192 25086 2519 1 8 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.336 0.273 25086 2520 1 8 . 1 1 7 7 LYS CB C 7 36.574 36.574 34.722 1.852 25086 2521 1 8 . 1 1 7 7 LYS H H 7 9.042 9.042 9.008 0.034 25086 2522 1 8 . 1 1 8 8 ARG N N 8 120.527 120.527 121.017 -0.490 25086 2523 1 8 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.755 -0.391 25086 2524 1 8 . 1 1 8 8 ARG C C 8 174.148 174.148 175.463 -1.315 25086 2525 1 8 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.820 0.356 25086 2526 1 8 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.865 -0.359 25086 2527 1 8 . 1 1 8 8 ARG H H 8 8.791 8.791 8.628 0.163 25086 2528 1 8 . 1 1 9 9 TRP N N 9 131.164 131.164 130.474 0.690 25086 2529 1 8 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.716 -0.064 25086 2530 1 8 . 1 1 9 9 TRP C C 9 176.351 176.351 175.919 0.432 25086 2531 1 8 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.963 -1.926 25086 2532 1 8 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.322 -1.256 25086 2533 1 8 . 1 1 9 9 TRP H H 9 8.994 8.994 9.165 -0.171 25086 2534 1 8 . 1 1 10 10 GLY N N 10 117.757 117.757 117.868 -0.111 25086 2535 1 8 . 1 1 10 10 GLY C C 10 173.798 173.798 173.848 -0.050 25086 2536 1 8 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.024 1.300 25086 2537 1 8 . 1 1 10 10 GLY H H 10 9.134 9.134 8.217 0.917 25086 2538 1 8 . 1 1 11 11 ASN N N 11 125.396 125.396 123.484 1.912 25086 2539 1 8 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.920 -0.151 25086 2540 1 8 . 1 1 11 11 ASN C C 11 175.190 175.190 174.182 1.008 25086 2541 1 8 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.471 0.271 25086 2542 1 8 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.353 -0.043 25086 2543 1 8 . 1 1 11 11 ASN H H 11 8.667 8.667 8.632 0.035 25086 2544 1 8 . 1 1 12 12 SER N N 12 115.939 115.939 117.548 -1.609 25086 2545 1 8 . 1 1 12 12 SER HA H 12 5.038 5.038 4.892 0.146 25086 2546 1 8 . 1 1 12 12 SER CA C 12 56.293 56.293 55.494 0.799 25086 2547 1 8 . 1 1 12 12 SER CB C 12 65.254 65.254 65.106 0.148 25086 2548 1 8 . 1 1 12 12 SER H H 12 7.798 7.798 7.570 0.228 25086 2549 1 8 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.934 -0.071 25086 2550 1 8 . 1 1 13 13 PRO C C 13 177.322 177.322 175.963 1.359 25086 2551 1 8 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.622 -0.493 25086 2552 1 8 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.585 1.033 25086 2553 1 8 . 1 1 14 14 ALA N N 14 125.096 125.096 129.241 -4.145 25086 2554 1 8 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.962 0.327 25086 2555 1 8 . 1 1 14 14 ALA C C 14 174.888 174.888 175.495 -0.607 25086 2556 1 8 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.062 0.709 25086 2557 1 8 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.625 1.646 25086 2558 1 8 . 1 1 14 14 ALA H H 14 9.419 9.419 9.087 0.332 25086 2559 1 8 . 1 1 15 15 VAL N N 15 116.316 116.316 123.351 -7.035 25086 2560 1 8 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.335 0.406 25086 2561 1 8 . 1 1 15 15 VAL C C 15 175.375 175.375 176.061 -0.686 25086 2562 1 8 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.998 -1.166 25086 2563 1 8 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.322 2.219 25086 2564 1 8 . 1 1 15 15 VAL H H 15 8.491 8.491 8.624 -0.133 25086 2565 1 8 . 1 1 16 16 ARG N N 16 125.595 125.595 127.435 -1.840 25086 2566 1 8 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.247 0.486 25086 2567 1 8 . 1 1 16 16 ARG C C 16 176.071 176.071 175.471 0.600 25086 2568 1 8 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.866 0.338 25086 2569 1 8 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.229 0.265 25086 2570 1 8 . 1 1 16 16 ARG H H 16 8.812 8.812 8.597 0.215 25086 2571 1 8 . 1 1 17 17 ILE N N 17 123.572 123.572 125.973 -2.401 25086 2572 1 8 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.261 0.134 25086 2573 1 8 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.629 -1.038 25086 2574 1 8 . 1 1 17 17 ILE CB C 17 38.781 38.781 39.078 -0.297 25086 2575 1 8 . 1 1 17 17 ILE H H 17 8.020 8.020 8.269 -0.249 25086 2576 1 8 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.482 -0.091 25086 2577 1 8 . 1 1 18 18 PRO C C 18 177.860 177.860 176.696 1.164 25086 2578 1 8 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.709 0.159 25086 2579 1 8 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.072 0.764 25086 2580 1 8 . 1 1 19 19 ALA N N 19 128.602 128.602 129.430 -0.828 25086 2581 1 8 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.017 -0.079 25086 2582 1 8 . 1 1 19 19 ALA C C 19 180.059 180.059 179.184 0.875 25086 2583 1 8 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.137 0.738 25086 2584 1 8 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.222 0.078 25086 2585 1 8 . 1 1 19 19 ALA H H 19 8.975 8.975 8.797 0.178 25086 2586 1 8 . 1 1 20 20 THR N N 20 108.352 108.352 115.641 -7.289 25086 2587 1 8 . 1 1 20 20 THR HA H 20 4.041 4.041 4.024 0.017 25086 2588 1 8 . 1 1 20 20 THR C C 20 177.381 177.381 176.100 1.281 25086 2589 1 8 . 1 1 20 20 THR CA C 20 64.688 64.688 66.660 -1.972 25086 2590 1 8 . 1 1 20 20 THR CB C 20 68.155 68.155 68.325 -0.170 25086 2591 1 8 . 1 1 20 20 THR H H 20 8.263 8.263 8.216 0.047 25086 2592 1 8 . 1 1 21 21 LEU N N 21 121.199 121.199 120.761 0.438 25086 2593 1 8 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.256 -0.030 25086 2594 1 8 . 1 1 21 21 LEU C C 21 178.002 178.002 178.187 -0.185 25086 2595 1 8 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.112 -0.169 25086 2596 1 8 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.182 -0.150 25086 2597 1 8 . 1 1 21 21 LEU H H 21 7.040 7.040 7.765 -0.725 25086 2598 1 8 . 1 1 22 22 MET N N 22 117.150 117.150 118.596 -1.446 25086 2599 1 8 . 1 1 22 22 MET HA H 22 4.019 4.019 3.962 0.057 25086 2600 1 8 . 1 1 22 22 MET C C 22 178.951 178.951 178.854 0.097 25086 2601 1 8 . 1 1 22 22 MET CA C 22 57.881 57.881 59.850 -1.969 25086 2602 1 8 . 1 1 22 22 MET CB C 22 30.803 30.803 32.168 -1.365 25086 2603 1 8 . 1 1 22 22 MET H H 22 7.415 7.415 7.508 -0.093 25086 2604 1 8 . 1 1 23 23 GLN N N 23 116.690 116.690 117.483 -0.793 25086 2605 1 8 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.151 0.009 25086 2606 1 8 . 1 1 23 23 GLN C C 23 179.589 179.589 177.989 1.600 25086 2607 1 8 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.173 0.342 25086 2608 1 8 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.467 -0.179 25086 2609 1 8 . 1 1 23 23 GLN H H 23 7.953 7.953 8.467 -0.514 25086 2610 1 8 . 1 1 24 24 ALA N N 24 122.104 122.104 122.015 0.089 25086 2611 1 8 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.152 -0.044 25086 2612 1 8 . 1 1 24 24 ALA C C 24 179.010 179.010 178.540 0.470 25086 2613 1 8 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.526 0.219 25086 2614 1 8 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.043 -0.324 25086 2615 1 8 . 1 1 24 24 ALA H H 24 7.617 7.617 7.598 0.019 25086 2616 1 8 . 1 1 25 25 LEU N N 25 115.630 115.630 115.209 0.421 25086 2617 1 8 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.379 -0.073 25086 2618 1 8 . 1 1 25 25 LEU C C 25 175.862 175.862 176.891 -1.029 25086 2619 1 8 . 1 1 25 25 LEU CA C 25 54.009 54.009 55.245 -1.236 25086 2620 1 8 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.625 0.992 25086 2621 1 8 . 1 1 25 25 LEU H H 25 7.381 7.381 7.485 -0.104 25086 2622 1 8 . 1 1 26 26 ASN N N 26 118.019 118.019 115.545 2.474 25086 2623 1 8 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.450 -0.161 25086 2624 1 8 . 1 1 26 26 ASN C C 26 173.478 173.478 173.479 -0.001 25086 2625 1 8 . 1 1 26 26 ASN CA C 26 54.193 54.193 53.953 0.241 25086 2626 1 8 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.737 -0.379 25086 2627 1 8 . 1 1 26 26 ASN H H 26 7.966 7.966 7.844 0.122 25086 2628 1 8 . 1 1 27 27 LEU N N 27 118.539 118.539 115.235 3.304 25086 2629 1 8 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.853 -0.270 25086 2630 1 8 . 1 1 27 27 LEU C C 27 174.995 174.995 174.596 0.399 25086 2631 1 8 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.316 0.424 25086 2632 1 8 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.270 1.895 25086 2633 1 8 . 1 1 27 27 LEU H H 27 8.023 8.023 7.971 0.052 25086 2634 1 8 . 1 1 28 28 ASN N N 28 121.416 121.416 116.240 5.176 25086 2635 1 8 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.981 -0.101 25086 2636 1 8 . 1 1 28 28 ASN C C 28 174.980 174.980 174.483 0.497 25086 2637 1 8 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.698 -0.354 25086 2638 1 8 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.847 0.706 25086 2639 1 8 . 1 1 28 28 ASN H H 28 8.889 8.889 8.467 0.422 25086 2640 1 8 . 1 1 29 29 ILE N N 29 120.022 120.022 120.245 -0.223 25086 2641 1 8 . 1 1 29 29 ILE HA H 29 3.327 3.327 3.896 -0.569 25086 2642 1 8 . 1 1 29 29 ILE C C 29 176.499 176.499 177.252 -0.753 25086 2643 1 8 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.281 0.963 25086 2644 1 8 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.692 -1.426 25086 2645 1 8 . 1 1 29 29 ILE H H 29 8.396 8.396 8.484 -0.088 25086 2646 1 8 . 1 1 30 30 ASP N N 30 121.326 121.326 123.712 -2.386 25086 2647 1 8 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.482 -0.081 25086 2648 1 8 . 1 1 30 30 ASP C C 30 175.994 175.994 175.401 0.593 25086 2649 1 8 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.246 2.697 25086 2650 1 8 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.830 -2.015 25086 2651 1 8 . 1 1 30 30 ASP H H 30 9.114 9.114 8.848 0.266 25086 2652 1 8 . 1 1 31 31 ASP N N 31 121.764 121.764 117.987 3.777 25086 2653 1 8 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.609 0.084 25086 2654 1 8 . 1 1 31 31 ASP C C 31 175.904 175.904 175.894 0.010 25086 2655 1 8 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.992 1.300 25086 2656 1 8 . 1 1 31 31 ASP CB C 31 41.176 41.176 41.947 -0.771 25086 2657 1 8 . 1 1 31 31 ASP H H 31 8.056 8.056 7.666 0.390 25086 2658 1 8 . 1 1 32 32 GLU N N 32 120.895 120.895 115.028 5.867 25086 2659 1 8 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.719 -0.023 25086 2660 1 8 . 1 1 32 32 GLU C C 32 176.717 176.717 174.651 2.066 25086 2661 1 8 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.023 1.385 25086 2662 1 8 . 1 1 32 32 GLU CB C 32 31.304 31.304 33.114 -1.810 25086 2663 1 8 . 1 1 32 32 GLU H H 32 8.683 8.683 8.680 0.003 25086 2664 1 8 . 1 1 33 33 VAL N N 33 114.605 114.605 115.616 -1.011 25086 2665 1 8 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.754 0.252 25086 2666 1 8 . 1 1 33 33 VAL C C 33 173.447 173.447 174.969 -1.522 25086 2667 1 8 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.606 -1.178 25086 2668 1 8 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.570 0.194 25086 2669 1 8 . 1 1 33 33 VAL H H 33 8.423 8.423 8.367 0.056 25086 2670 1 8 . 1 1 34 34 LYS N N 34 122.276 122.276 126.625 -4.349 25086 2671 1 8 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.519 0.248 25086 2672 1 8 . 1 1 34 34 LYS C C 34 175.062 175.062 175.879 -0.817 25086 2673 1 8 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.297 -0.645 25086 2674 1 8 . 1 1 34 34 LYS CB C 34 34.857 34.857 32.682 2.175 25086 2675 1 8 . 1 1 34 34 LYS H H 34 8.989 8.989 8.038 0.951 25086 2676 1 8 . 1 1 35 35 ILE N N 35 124.021 124.021 127.079 -3.058 25086 2677 1 8 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.472 0.582 25086 2678 1 8 . 1 1 35 35 ILE C C 35 174.111 174.111 176.082 -1.971 25086 2679 1 8 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.979 -0.741 25086 2680 1 8 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.429 1.560 25086 2681 1 8 . 1 1 35 35 ILE H H 35 8.717 8.717 8.373 0.344 25086 2682 1 8 . 1 1 36 36 ASP N N 36 126.126 126.126 129.045 -2.919 25086 2683 1 8 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.837 0.217 25086 2684 1 8 . 1 1 36 36 ASP C C 36 173.496 173.496 173.980 -0.484 25086 2685 1 8 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.318 -1.075 25086 2686 1 8 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.795 0.484 25086 2687 1 8 . 1 1 36 36 ASP H H 36 8.948 8.948 8.610 0.338 25086 2688 1 8 . 1 1 37 37 LEU N N 37 123.664 123.664 125.000 -1.336 25086 2689 1 8 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.990 0.211 25086 2690 1 8 . 1 1 37 37 LEU C C 37 175.865 175.865 175.532 0.333 25086 2691 1 8 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.981 0.080 25086 2692 1 8 . 1 1 37 37 LEU CB C 37 44.306 44.306 43.015 1.291 25086 2693 1 8 . 1 1 37 37 LEU H H 37 8.629 8.629 8.406 0.223 25086 2694 1 8 . 1 1 38 38 VAL N N 38 126.795 126.795 126.720 0.075 25086 2695 1 8 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.373 -0.184 25086 2696 1 8 . 1 1 38 38 VAL C C 38 175.379 175.379 174.989 0.390 25086 2697 1 8 . 1 1 38 38 VAL CA C 38 61.480 61.480 60.728 0.752 25086 2698 1 8 . 1 1 38 38 VAL CB C 38 35.102 35.102 33.880 1.222 25086 2699 1 8 . 1 1 38 38 VAL H H 38 8.772 8.772 9.085 -0.313 25086 2700 1 8 . 1 1 39 39 ASP N N 39 127.355 127.355 128.800 -1.445 25086 2701 1 8 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.269 -0.048 25086 2702 1 8 . 1 1 39 39 ASP C C 39 175.944 175.944 177.271 -1.327 25086 2703 1 8 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.638 0.586 25086 2704 1 8 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.688 -0.682 25086 2705 1 8 . 1 1 39 39 ASP H H 39 9.154 9.154 9.073 0.081 25086 2706 1 8 . 1 1 40 40 GLY N N 40 103.124 103.124 105.472 -2.348 25086 2707 1 8 . 1 1 40 40 GLY C C 40 172.842 172.842 173.866 -1.024 25086 2708 1 8 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.655 0.407 25086 2709 1 8 . 1 1 40 40 GLY H H 40 8.425 8.425 8.454 -0.029 25086 2710 1 8 . 1 1 41 41 LYS N N 41 117.155 117.155 120.609 -3.454 25086 2711 1 8 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.676 0.069 25086 2712 1 8 . 1 1 41 41 LYS C C 41 174.385 174.385 174.937 -0.552 25086 2713 1 8 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.186 0.304 25086 2714 1 8 . 1 1 41 41 LYS CB C 41 35.244 35.244 34.399 0.845 25086 2715 1 8 . 1 1 41 41 LYS H H 41 7.676 7.676 7.706 -0.030 25086 2716 1 8 . 1 1 42 42 LEU N N 42 119.938 119.938 123.032 -3.094 25086 2717 1 8 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.983 0.083 25086 2718 1 8 . 1 1 42 42 LEU C C 42 174.895 174.895 177.018 -2.123 25086 2719 1 8 . 1 1 42 42 LEU CA C 42 53.560 53.560 53.717 -0.157 25086 2720 1 8 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.951 0.497 25086 2721 1 8 . 1 1 42 42 LEU H H 42 8.585 8.585 8.581 0.004 25086 2722 1 8 . 1 1 43 43 ILE N N 43 123.764 123.764 125.918 -2.154 25086 2723 1 8 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.236 0.689 25086 2724 1 8 . 1 1 43 43 ILE C C 43 175.893 175.893 174.692 1.201 25086 2725 1 8 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.853 -0.566 25086 2726 1 8 . 1 1 43 43 ILE CB C 43 39.178 39.178 36.921 2.257 25086 2727 1 8 . 1 1 43 43 ILE H H 43 9.075 9.075 9.109 -0.034 25086 2728 1 8 . 1 1 44 44 ILE N N 44 126.815 126.815 128.604 -1.789 25086 2729 1 8 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.391 0.565 25086 2730 1 8 . 1 1 44 44 ILE C C 44 174.230 174.230 175.650 -1.420 25086 2731 1 8 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.915 1.303 25086 2732 1 8 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.473 1.688 25086 2733 1 8 . 1 1 44 44 ILE H H 44 9.411 9.411 8.412 0.999 25086 2734 1 8 . 1 1 45 45 GLU N N 45 126.742 126.742 130.216 -3.474 25086 2735 1 8 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.842 0.332 25086 2736 1 8 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.306 -0.355 25086 2737 1 8 . 1 1 45 45 GLU CB C 45 33.866 33.866 31.846 2.020 25086 2738 1 8 . 1 1 45 45 GLU H H 45 8.929 8.929 8.390 0.539 25086 2739 1 8 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.546 0.006 25086 2740 1 8 . 1 1 46 46 PRO C C 46 175.856 175.856 175.911 -0.055 25086 2741 1 8 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.985 0.230 25086 2742 1 8 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.361 0.077 25086 2743 1 8 . 1 1 47 47 VAL N N 47 123.846 123.846 123.782 0.064 25086 2744 1 8 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.404 -0.387 25086 2745 1 8 . 1 1 47 47 VAL C C 47 175.776 175.776 173.794 1.982 25086 2746 1 8 . 1 1 47 47 VAL CA C 47 62.656 62.656 59.678 2.978 25086 2747 1 8 . 1 1 47 47 VAL CB C 47 32.271 32.271 35.449 -3.178 25086 2748 1 8 . 1 1 47 47 VAL H H 47 7.893 7.893 8.931 -1.038 25086 2749 1 8 . 1 1 48 48 ARG N N 48 126.674 126.674 126.997 -0.323 25086 2750 1 8 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.355 0.051 25086 2751 1 8 . 1 1 48 48 ARG C C 48 175.887 175.887 175.185 0.702 25086 2752 1 8 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.050 -0.530 25086 2753 1 8 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.894 -0.093 25086 2754 1 8 . 1 1 48 48 ARG H H 48 8.646 8.646 8.475 0.171 25086 2755 1 8 . 1 1 49 49 LYS N N 49 124.176 124.176 120.866 3.310 25086 2756 1 8 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.491 -0.132 25086 2757 1 8 . 1 1 49 49 LYS C C 49 175.579 175.579 175.135 0.444 25086 2758 1 8 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.500 0.670 25086 2759 1 8 . 1 1 49 49 LYS CB C 49 33.218 33.218 33.931 -0.713 25086 2760 1 8 . 1 1 49 49 LYS H H 49 8.563 8.563 8.214 0.349 25086 2761 1 9 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.883 -0.276 25086 2762 1 9 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.070 0.735 25086 2763 1 9 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.136 0.962 25086 2764 1 9 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 31.791 -1.411 25086 2765 1 9 . 1 1 -14 -14 LYS N N -14 122.750 122.750 122.015 0.735 25086 2766 1 9 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.293 -0.050 25086 2767 1 9 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.840 0.310 25086 2768 1 9 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.965 0.383 25086 2769 1 9 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.824 0.161 25086 2770 1 9 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.483 -0.129 25086 2771 1 9 . 1 1 -13 -13 VAL N N -13 121.546 121.546 123.803 -2.257 25086 2772 1 9 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.026 -0.048 25086 2773 1 9 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.151 0.460 25086 2774 1 9 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.281 -0.133 25086 2775 1 9 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.332 0.483 25086 2776 1 9 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.576 -0.478 25086 2777 1 9 . 1 1 -12 -12 HIS N N -12 123.329 123.329 119.617 3.712 25086 2778 1 9 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.492 -0.966 25086 2779 1 9 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 29.212 1.228 25086 2780 1 9 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.283 0.155 25086 2781 1 9 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.955 -0.349 25086 2782 1 9 . 1 1 -7 -7 HIS C C -7 174.714 174.714 173.721 0.993 25086 2783 1 9 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.223 0.758 25086 2784 1 9 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.491 -1.586 25086 2785 1 9 . 1 1 -6 -6 MET N N -6 122.431 122.431 121.953 0.478 25086 2786 1 9 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.590 -0.137 25086 2787 1 9 . 1 1 -6 -6 MET C C -6 176.091 176.091 176.517 -0.426 25086 2788 1 9 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.939 -0.281 25086 2789 1 9 . 1 1 -6 -6 MET CB C -6 32.952 32.952 33.561 -0.609 25086 2790 1 9 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.730 -0.210 25086 2791 1 9 . 1 1 -5 -5 SER N N -5 116.616 116.616 115.058 1.558 25086 2792 1 9 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.770 -0.326 25086 2793 1 9 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.289 0.173 25086 2794 1 9 . 1 1 -5 -5 SER CA C -5 58.379 58.379 57.898 0.481 25086 2795 1 9 . 1 1 -5 -5 SER CB C -5 63.989 63.989 61.554 2.435 25086 2796 1 9 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.033 0.377 25086 2797 1 9 . 1 1 -4 -4 ASP N N -4 122.320 122.320 123.280 -0.960 25086 2798 1 9 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.620 -0.018 25086 2799 1 9 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.682 -0.484 25086 2800 1 9 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.646 -1.866 25086 2801 1 9 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.716 -0.599 25086 2802 1 9 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.160 0.269 25086 2803 1 9 . 1 1 -3 -3 ASP N N -3 119.793 119.793 117.259 2.534 25086 2804 1 9 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.640 -0.076 25086 2805 1 9 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.183 -0.937 25086 2806 1 9 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.202 -0.473 25086 2807 1 9 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.984 -0.790 25086 2808 1 9 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.398 -0.192 25086 2809 1 9 . 1 1 -2 -2 ASP N N -2 120.270 120.270 120.111 0.159 25086 2810 1 9 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.414 0.153 25086 2811 1 9 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.240 -0.187 25086 2812 1 9 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 56.489 -1.750 25086 2813 1 9 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.075 0.169 25086 2814 1 9 . 1 1 -2 -2 ASP H H -2 8.170 8.170 8.622 -0.452 25086 2815 1 9 . 1 1 -1 -1 ASP N N -1 120.279 120.279 116.373 3.906 25086 2816 1 9 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.672 -0.082 25086 2817 1 9 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.346 0.960 25086 2818 1 9 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 52.523 1.892 25086 2819 1 9 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 42.349 -1.245 25086 2820 1 9 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.817 0.408 25086 2821 1 9 . 1 1 0 0 LYS N N 0 121.408 121.408 117.065 4.343 25086 2822 1 9 . 1 1 0 0 LYS HA H 0 4.385 4.385 3.957 0.428 25086 2823 1 9 . 1 1 0 0 LYS C C 0 177.017 177.017 177.178 -0.161 25086 2824 1 9 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.673 -0.576 25086 2825 1 9 . 1 1 0 0 LYS CB C 0 32.969 32.969 31.202 1.767 25086 2826 1 9 . 1 1 0 0 LYS H H 0 8.251 8.251 8.573 -0.322 25086 2827 1 9 . 1 1 1 1 GLY N N 1 109.054 109.054 107.920 1.134 25086 2828 1 9 . 1 1 1 1 GLY C C 1 173.630 173.630 174.852 -1.222 25086 2829 1 9 . 1 1 1 1 GLY CA C 1 45.285 45.285 46.201 -0.916 25086 2830 1 9 . 1 1 1 1 GLY H H 1 8.370 8.370 8.428 -0.058 25086 2831 1 9 . 1 1 2 2 ILE N N 2 120.862 120.862 121.411 -0.549 25086 2832 1 9 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.279 0.018 25086 2833 1 9 . 1 1 2 2 ILE C C 2 175.993 175.993 174.771 1.222 25086 2834 1 9 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.776 0.056 25086 2835 1 9 . 1 1 2 2 ILE CB C 2 39.733 39.733 39.083 0.650 25086 2836 1 9 . 1 1 2 2 ILE H H 2 8.579 8.579 7.696 0.883 25086 2837 1 9 . 1 1 3 3 HIS N N 3 124.483 124.483 125.082 -0.599 25086 2838 1 9 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.854 0.380 25086 2839 1 9 . 1 1 3 3 HIS C C 3 174.751 174.751 174.781 -0.030 25086 2840 1 9 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.510 -0.225 25086 2841 1 9 . 1 1 3 3 HIS CB C 3 30.076 30.076 29.556 0.520 25086 2842 1 9 . 1 1 3 3 HIS H H 3 8.920 8.920 8.519 0.401 25086 2843 1 9 . 1 1 4 4 SER N N 4 117.417 117.417 121.369 -3.952 25086 2844 1 9 . 1 1 4 4 SER HA H 4 4.712 4.712 4.663 0.049 25086 2845 1 9 . 1 1 4 4 SER C C 4 174.112 174.112 173.375 0.737 25086 2846 1 9 . 1 1 4 4 SER CA C 4 56.102 56.102 57.763 -1.661 25086 2847 1 9 . 1 1 4 4 SER CB C 4 64.679 64.679 64.800 -0.121 25086 2848 1 9 . 1 1 4 4 SER H H 4 8.925 8.925 8.735 0.190 25086 2849 1 9 . 1 1 5 5 SER N N 5 114.372 114.372 115.301 -0.929 25086 2850 1 9 . 1 1 5 5 SER HA H 5 5.390 5.390 4.640 0.750 25086 2851 1 9 . 1 1 5 5 SER C C 5 173.075 173.075 172.590 0.485 25086 2852 1 9 . 1 1 5 5 SER CA C 5 57.153 57.153 58.093 -0.940 25086 2853 1 9 . 1 1 5 5 SER CB C 5 65.752 65.752 64.573 1.179 25086 2854 1 9 . 1 1 5 5 SER H H 5 8.623 8.623 8.311 0.312 25086 2855 1 9 . 1 1 6 6 VAL N N 6 121.311 121.311 120.982 0.329 25086 2856 1 9 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.753 -0.584 25086 2857 1 9 . 1 1 6 6 VAL C C 6 175.872 175.872 176.003 -0.131 25086 2858 1 9 . 1 1 6 6 VAL CA C 6 62.746 62.746 61.284 1.462 25086 2859 1 9 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.968 -1.471 25086 2860 1 9 . 1 1 6 6 VAL H H 6 8.384 8.384 8.501 -0.117 25086 2861 1 9 . 1 1 7 7 LYS N N 7 128.341 128.341 128.560 -0.219 25086 2862 1 9 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.822 0.143 25086 2863 1 9 . 1 1 7 7 LYS C C 7 174.655 174.655 174.749 -0.094 25086 2864 1 9 . 1 1 7 7 LYS CA C 7 53.609 53.609 54.045 -0.436 25086 2865 1 9 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.762 0.812 25086 2866 1 9 . 1 1 7 7 LYS H H 7 9.042 9.042 8.834 0.208 25086 2867 1 9 . 1 1 8 8 ARG N N 8 120.527 120.527 121.191 -0.664 25086 2868 1 9 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.703 -0.339 25086 2869 1 9 . 1 1 8 8 ARG C C 8 174.148 174.148 175.401 -1.253 25086 2870 1 9 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.099 0.077 25086 2871 1 9 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.489 0.017 25086 2872 1 9 . 1 1 8 8 ARG H H 8 8.791 8.791 8.592 0.199 25086 2873 1 9 . 1 1 9 9 TRP N N 9 131.164 131.164 130.284 0.880 25086 2874 1 9 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.731 -0.079 25086 2875 1 9 . 1 1 9 9 TRP C C 9 176.351 176.351 175.788 0.563 25086 2876 1 9 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.943 -1.906 25086 2877 1 9 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.638 -1.572 25086 2878 1 9 . 1 1 9 9 TRP H H 9 8.994 8.994 9.142 -0.148 25086 2879 1 9 . 1 1 10 10 GLY N N 10 117.757 117.757 117.913 -0.156 25086 2880 1 9 . 1 1 10 10 GLY C C 10 173.798 173.798 173.907 -0.109 25086 2881 1 9 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.410 0.914 25086 2882 1 9 . 1 1 10 10 GLY H H 10 9.134 9.134 8.304 0.830 25086 2883 1 9 . 1 1 11 11 ASN N N 11 125.396 125.396 122.136 3.260 25086 2884 1 9 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.824 -0.055 25086 2885 1 9 . 1 1 11 11 ASN C C 11 175.190 175.190 174.599 0.591 25086 2886 1 9 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.924 -0.182 25086 2887 1 9 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.348 0.962 25086 2888 1 9 . 1 1 11 11 ASN H H 11 8.667 8.667 8.645 0.022 25086 2889 1 9 . 1 1 12 12 SER N N 12 115.939 115.939 117.741 -1.802 25086 2890 1 9 . 1 1 12 12 SER HA H 12 5.038 5.038 4.941 0.097 25086 2891 1 9 . 1 1 12 12 SER CA C 12 56.293 56.293 55.464 0.829 25086 2892 1 9 . 1 1 12 12 SER CB C 12 65.254 65.254 64.127 1.127 25086 2893 1 9 . 1 1 12 12 SER H H 12 7.798 7.798 7.731 0.067 25086 2894 1 9 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.762 0.101 25086 2895 1 9 . 1 1 13 13 PRO C C 13 177.322 177.322 175.990 1.332 25086 2896 1 9 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.678 -0.549 25086 2897 1 9 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.786 0.832 25086 2898 1 9 . 1 1 14 14 ALA N N 14 125.096 125.096 129.502 -4.406 25086 2899 1 9 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.892 0.397 25086 2900 1 9 . 1 1 14 14 ALA C C 14 174.888 174.888 175.494 -0.606 25086 2901 1 9 . 1 1 14 14 ALA CA C 14 51.770 51.770 50.984 0.786 25086 2902 1 9 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.423 1.848 25086 2903 1 9 . 1 1 14 14 ALA H H 14 9.419 9.419 9.236 0.183 25086 2904 1 9 . 1 1 15 15 VAL N N 15 116.316 116.316 122.997 -6.681 25086 2905 1 9 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.590 0.151 25086 2906 1 9 . 1 1 15 15 VAL C C 15 175.375 175.375 176.330 -0.955 25086 2907 1 9 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.207 -1.375 25086 2908 1 9 . 1 1 15 15 VAL CB C 15 35.541 35.541 32.858 2.683 25086 2909 1 9 . 1 1 15 15 VAL H H 15 8.491 8.491 8.622 -0.131 25086 2910 1 9 . 1 1 16 16 ARG N N 16 125.595 125.595 128.162 -2.567 25086 2911 1 9 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.339 0.394 25086 2912 1 9 . 1 1 16 16 ARG C C 16 176.071 176.071 175.772 0.299 25086 2913 1 9 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.578 0.626 25086 2914 1 9 . 1 1 16 16 ARG CB C 16 30.493 30.493 29.942 0.551 25086 2915 1 9 . 1 1 16 16 ARG H H 16 8.812 8.812 8.354 0.458 25086 2916 1 9 . 1 1 17 17 ILE N N 17 123.572 123.572 126.896 -3.324 25086 2917 1 9 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.316 0.079 25086 2918 1 9 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.013 -0.422 25086 2919 1 9 . 1 1 17 17 ILE CB C 17 38.781 38.781 37.173 1.608 25086 2920 1 9 . 1 1 17 17 ILE H H 17 8.020 8.020 8.164 -0.144 25086 2921 1 9 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.425 -0.034 25086 2922 1 9 . 1 1 18 18 PRO C C 18 177.860 177.860 177.473 0.387 25086 2923 1 9 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.666 0.202 25086 2924 1 9 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.243 0.592 25086 2925 1 9 . 1 1 19 19 ALA N N 19 128.602 128.602 128.175 0.427 25086 2926 1 9 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.024 -0.086 25086 2927 1 9 . 1 1 19 19 ALA C C 19 180.059 180.059 179.592 0.467 25086 2928 1 9 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.037 0.838 25086 2929 1 9 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.150 0.150 25086 2930 1 9 . 1 1 19 19 ALA H H 19 8.975 8.975 8.752 0.223 25086 2931 1 9 . 1 1 20 20 THR N N 20 108.352 108.352 115.251 -6.899 25086 2932 1 9 . 1 1 20 20 THR HA H 20 4.041 4.041 4.182 -0.141 25086 2933 1 9 . 1 1 20 20 THR C C 20 177.381 177.381 176.486 0.895 25086 2934 1 9 . 1 1 20 20 THR CA C 20 64.688 64.688 66.153 -1.465 25086 2935 1 9 . 1 1 20 20 THR CB C 20 68.155 68.155 68.332 -0.177 25086 2936 1 9 . 1 1 20 20 THR H H 20 8.263 8.263 8.321 -0.058 25086 2937 1 9 . 1 1 21 21 LEU N N 21 121.199 121.199 121.757 -0.558 25086 2938 1 9 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.239 -0.013 25086 2939 1 9 . 1 1 21 21 LEU C C 21 178.002 178.002 178.774 -0.772 25086 2940 1 9 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.218 -0.275 25086 2941 1 9 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.134 -0.102 25086 2942 1 9 . 1 1 21 21 LEU H H 21 7.040 7.040 7.768 -0.728 25086 2943 1 9 . 1 1 22 22 MET N N 22 117.150 117.150 118.366 -1.216 25086 2944 1 9 . 1 1 22 22 MET HA H 22 4.019 4.019 3.958 0.061 25086 2945 1 9 . 1 1 22 22 MET C C 22 178.951 178.951 178.831 0.120 25086 2946 1 9 . 1 1 22 22 MET CA C 22 57.881 57.881 58.475 -0.594 25086 2947 1 9 . 1 1 22 22 MET CB C 22 30.803 30.803 31.182 -0.379 25086 2948 1 9 . 1 1 22 22 MET H H 22 7.415 7.415 7.979 -0.564 25086 2949 1 9 . 1 1 23 23 GLN N N 23 116.690 116.690 117.411 -0.721 25086 2950 1 9 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.135 0.025 25086 2951 1 9 . 1 1 23 23 GLN C C 23 179.589 179.589 178.297 1.292 25086 2952 1 9 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.342 0.173 25086 2953 1 9 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.481 -0.193 25086 2954 1 9 . 1 1 23 23 GLN H H 23 7.953 7.953 8.221 -0.268 25086 2955 1 9 . 1 1 24 24 ALA N N 24 122.104 122.104 121.063 1.041 25086 2956 1 9 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.211 -0.103 25086 2957 1 9 . 1 1 24 24 ALA C C 24 179.010 179.010 178.583 0.427 25086 2958 1 9 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.353 0.392 25086 2959 1 9 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.084 -0.365 25086 2960 1 9 . 1 1 24 24 ALA H H 24 7.617 7.617 7.587 0.030 25086 2961 1 9 . 1 1 25 25 LEU N N 25 115.630 115.630 116.952 -1.322 25086 2962 1 9 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.420 -0.114 25086 2963 1 9 . 1 1 25 25 LEU C C 25 175.862 175.862 176.212 -0.350 25086 2964 1 9 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.409 -0.400 25086 2965 1 9 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.616 1.001 25086 2966 1 9 . 1 1 25 25 LEU H H 25 7.381 7.381 7.884 -0.503 25086 2967 1 9 . 1 1 26 26 ASN N N 26 118.019 118.019 117.532 0.487 25086 2968 1 9 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.447 -0.158 25086 2969 1 9 . 1 1 26 26 ASN C C 26 173.478 173.478 173.938 -0.460 25086 2970 1 9 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.020 0.173 25086 2971 1 9 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.846 0.512 25086 2972 1 9 . 1 1 26 26 ASN H H 26 7.966 7.966 7.652 0.314 25086 2973 1 9 . 1 1 27 27 LEU N N 27 118.539 118.539 113.876 4.663 25086 2974 1 9 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.901 -0.318 25086 2975 1 9 . 1 1 27 27 LEU C C 27 174.995 174.995 174.695 0.300 25086 2976 1 9 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.403 0.337 25086 2977 1 9 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.981 1.184 25086 2978 1 9 . 1 1 27 27 LEU H H 27 8.023 8.023 8.180 -0.157 25086 2979 1 9 . 1 1 28 28 ASN N N 28 121.416 121.416 115.563 5.853 25086 2980 1 9 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.917 -0.037 25086 2981 1 9 . 1 1 28 28 ASN C C 28 174.980 174.980 174.049 0.931 25086 2982 1 9 . 1 1 28 28 ASN CA C 28 51.344 51.344 52.222 -0.878 25086 2983 1 9 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.807 0.746 25086 2984 1 9 . 1 1 28 28 ASN H H 28 8.889 8.889 8.288 0.601 25086 2985 1 9 . 1 1 29 29 ILE N N 29 120.022 120.022 121.173 -1.151 25086 2986 1 9 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.129 -0.802 25086 2987 1 9 . 1 1 29 29 ILE C C 29 176.499 176.499 176.711 -0.212 25086 2988 1 9 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.302 0.942 25086 2989 1 9 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.250 -0.984 25086 2990 1 9 . 1 1 29 29 ILE H H 29 8.396 8.396 8.332 0.064 25086 2991 1 9 . 1 1 30 30 ASP N N 30 121.326 121.326 124.271 -2.945 25086 2992 1 9 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.356 0.045 25086 2993 1 9 . 1 1 30 30 ASP C C 30 175.994 175.994 174.742 1.252 25086 2994 1 9 . 1 1 30 30 ASP CA C 30 57.943 57.943 54.817 3.126 25086 2995 1 9 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.555 -1.740 25086 2996 1 9 . 1 1 30 30 ASP H H 30 9.114 9.114 8.599 0.515 25086 2997 1 9 . 1 1 31 31 ASP N N 31 121.764 121.764 119.440 2.324 25086 2998 1 9 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.781 -0.088 25086 2999 1 9 . 1 1 31 31 ASP C C 31 175.904 175.904 174.921 0.983 25086 3000 1 9 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.675 1.617 25086 3001 1 9 . 1 1 31 31 ASP CB C 31 41.176 41.176 43.062 -1.886 25086 3002 1 9 . 1 1 31 31 ASP H H 31 8.056 8.056 8.060 -0.004 25086 3003 1 9 . 1 1 32 32 GLU N N 32 120.895 120.895 124.501 -3.606 25086 3004 1 9 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.367 0.329 25086 3005 1 9 . 1 1 32 32 GLU C C 32 176.717 176.717 174.804 1.913 25086 3006 1 9 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.706 -0.297 25086 3007 1 9 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.447 0.857 25086 3008 1 9 . 1 1 32 32 GLU H H 32 8.683 8.683 8.478 0.205 25086 3009 1 9 . 1 1 33 33 VAL N N 33 114.605 114.605 119.224 -4.619 25086 3010 1 9 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.358 0.648 25086 3011 1 9 . 1 1 33 33 VAL C C 33 173.447 173.447 174.664 -1.217 25086 3012 1 9 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.615 -1.187 25086 3013 1 9 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.367 0.397 25086 3014 1 9 . 1 1 33 33 VAL H H 33 8.423 8.423 8.143 0.280 25086 3015 1 9 . 1 1 34 34 LYS N N 34 122.276 122.276 123.129 -0.853 25086 3016 1 9 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.632 0.135 25086 3017 1 9 . 1 1 34 34 LYS C C 34 175.062 175.062 175.466 -0.404 25086 3018 1 9 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.306 -0.654 25086 3019 1 9 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.990 0.867 25086 3020 1 9 . 1 1 34 34 LYS H H 34 8.989 8.989 8.485 0.504 25086 3021 1 9 . 1 1 35 35 ILE N N 35 124.021 124.021 125.020 -0.999 25086 3022 1 9 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.735 0.319 25086 3023 1 9 . 1 1 35 35 ILE C C 35 174.111 174.111 175.183 -1.072 25086 3024 1 9 . 1 1 35 35 ILE CA C 35 60.238 60.238 58.661 1.577 25086 3025 1 9 . 1 1 35 35 ILE CB C 35 39.989 39.989 36.862 3.127 25086 3026 1 9 . 1 1 35 35 ILE H H 35 8.717 8.717 8.623 0.094 25086 3027 1 9 . 1 1 36 36 ASP N N 36 126.126 126.126 128.241 -2.115 25086 3028 1 9 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.941 0.113 25086 3029 1 9 . 1 1 36 36 ASP C C 36 173.496 173.496 174.549 -1.053 25086 3030 1 9 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.011 -0.768 25086 3031 1 9 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.599 1.681 25086 3032 1 9 . 1 1 36 36 ASP H H 36 8.948 8.948 8.856 0.092 25086 3033 1 9 . 1 1 37 37 LEU N N 37 123.664 123.664 125.129 -1.465 25086 3034 1 9 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.128 0.073 25086 3035 1 9 . 1 1 37 37 LEU C C 37 175.865 175.865 175.507 0.358 25086 3036 1 9 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.918 0.143 25086 3037 1 9 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.681 1.625 25086 3038 1 9 . 1 1 37 37 LEU H H 37 8.629 8.629 8.550 0.079 25086 3039 1 9 . 1 1 38 38 VAL N N 38 126.795 126.795 126.575 0.220 25086 3040 1 9 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.321 -0.132 25086 3041 1 9 . 1 1 38 38 VAL C C 38 175.379 175.379 175.246 0.133 25086 3042 1 9 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.777 -0.297 25086 3043 1 9 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.517 -0.415 25086 3044 1 9 . 1 1 38 38 VAL H H 38 8.772 8.772 8.470 0.302 25086 3045 1 9 . 1 1 39 39 ASP N N 39 127.355 127.355 126.939 0.416 25086 3046 1 9 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.306 -0.085 25086 3047 1 9 . 1 1 39 39 ASP C C 39 175.944 175.944 176.363 -0.419 25086 3048 1 9 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.597 -0.373 25086 3049 1 9 . 1 1 39 39 ASP CB C 39 40.006 40.006 39.903 0.103 25086 3050 1 9 . 1 1 39 39 ASP H H 39 9.154 9.154 9.220 -0.066 25086 3051 1 9 . 1 1 40 40 GLY N N 40 103.124 103.124 102.629 0.495 25086 3052 1 9 . 1 1 40 40 GLY C C 40 172.842 172.842 173.362 -0.520 25086 3053 1 9 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.151 0.911 25086 3054 1 9 . 1 1 40 40 GLY H H 40 8.425 8.425 8.433 -0.008 25086 3055 1 9 . 1 1 41 41 LYS N N 41 117.155 117.155 118.727 -1.572 25086 3056 1 9 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.670 0.075 25086 3057 1 9 . 1 1 41 41 LYS C C 41 174.385 174.385 174.693 -0.308 25086 3058 1 9 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.908 0.582 25086 3059 1 9 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.245 -0.001 25086 3060 1 9 . 1 1 41 41 LYS H H 41 7.676 7.676 8.062 -0.386 25086 3061 1 9 . 1 1 42 42 LEU N N 42 119.938 119.938 122.160 -2.222 25086 3062 1 9 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.479 0.587 25086 3063 1 9 . 1 1 42 42 LEU C C 42 174.895 174.895 176.397 -1.502 25086 3064 1 9 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.341 -0.781 25086 3065 1 9 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.480 0.968 25086 3066 1 9 . 1 1 42 42 LEU H H 42 8.585 8.585 8.544 0.041 25086 3067 1 9 . 1 1 43 43 ILE N N 43 123.764 123.764 126.185 -2.421 25086 3068 1 9 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.368 0.557 25086 3069 1 9 . 1 1 43 43 ILE C C 43 175.893 175.893 174.495 1.398 25086 3070 1 9 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.481 -0.194 25086 3071 1 9 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.417 0.761 25086 3072 1 9 . 1 1 43 43 ILE H H 43 9.075 9.075 8.959 0.116 25086 3073 1 9 . 1 1 44 44 ILE N N 44 126.815 126.815 128.437 -1.622 25086 3074 1 9 . 1 1 44 44 ILE HA H 44 4.956 4.956 5.031 -0.075 25086 3075 1 9 . 1 1 44 44 ILE C C 44 174.230 174.230 175.866 -1.636 25086 3076 1 9 . 1 1 44 44 ILE CA C 44 60.218 60.218 60.196 0.022 25086 3077 1 9 . 1 1 44 44 ILE CB C 44 39.161 39.161 40.381 -1.220 25086 3078 1 9 . 1 1 44 44 ILE H H 44 9.411 9.411 8.647 0.764 25086 3079 1 9 . 1 1 45 45 GLU N N 45 126.742 126.742 127.394 -0.652 25086 3080 1 9 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.916 0.258 25086 3081 1 9 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.761 -0.810 25086 3082 1 9 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.112 1.754 25086 3083 1 9 . 1 1 45 45 GLU H H 45 8.929 8.929 8.364 0.565 25086 3084 1 9 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.543 0.009 25086 3085 1 9 . 1 1 46 46 PRO C C 46 175.856 175.856 176.002 -0.146 25086 3086 1 9 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.387 0.828 25086 3087 1 9 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.690 -0.251 25086 3088 1 9 . 1 1 47 47 VAL N N 47 123.846 123.846 120.367 3.479 25086 3089 1 9 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.228 -0.211 25086 3090 1 9 . 1 1 47 47 VAL C C 47 175.776 175.776 175.507 0.269 25086 3091 1 9 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.184 1.472 25086 3092 1 9 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.834 -0.563 25086 3093 1 9 . 1 1 47 47 VAL H H 47 7.893 7.893 8.089 -0.196 25086 3094 1 9 . 1 1 48 48 ARG N N 48 126.674 126.674 128.640 -1.966 25086 3095 1 9 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.350 0.056 25086 3096 1 9 . 1 1 48 48 ARG C C 48 175.887 175.887 175.967 -0.080 25086 3097 1 9 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.491 -0.971 25086 3098 1 9 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.744 0.057 25086 3099 1 9 . 1 1 48 48 ARG H H 48 8.646 8.646 8.772 -0.126 25086 3100 1 9 . 1 1 49 49 LYS N N 49 124.176 124.176 126.002 -1.826 25086 3101 1 9 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.436 -0.077 25086 3102 1 9 . 1 1 49 49 LYS C C 49 175.579 175.579 175.943 -0.364 25086 3103 1 9 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.977 0.192 25086 3104 1 9 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.163 2.055 25086 3105 1 9 . 1 1 49 49 LYS H H 49 8.563 8.563 8.522 0.041 25086 3106 1 10 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.641 -0.034 25086 3107 1 10 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.725 0.080 25086 3108 1 10 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.394 -0.296 25086 3109 1 10 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.970 -0.590 25086 3110 1 10 . 1 1 -14 -14 LYS N N -14 122.750 122.750 121.326 1.424 25086 3111 1 10 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 3.560 0.683 25086 3112 1 10 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.863 0.287 25086 3113 1 10 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.299 1.049 25086 3114 1 10 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 30.776 2.209 25086 3115 1 10 . 1 1 -14 -14 LYS H H -14 8.354 8.354 7.734 0.620 25086 3116 1 10 . 1 1 -13 -13 VAL N N -13 121.546 121.546 116.597 4.949 25086 3117 1 10 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.195 -0.217 25086 3118 1 10 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.336 -0.725 25086 3119 1 10 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 61.685 0.463 25086 3120 1 10 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.561 0.254 25086 3121 1 10 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.566 0.532 25086 3122 1 10 . 1 1 -12 -12 HIS N N -12 123.329 123.329 118.529 4.800 25086 3123 1 10 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 54.499 1.027 25086 3124 1 10 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 27.082 3.358 25086 3125 1 10 . 1 1 -12 -12 HIS H H -12 8.438 8.438 7.594 0.844 25086 3126 1 10 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.449 0.157 25086 3127 1 10 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.061 0.653 25086 3128 1 10 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.166 0.814 25086 3129 1 10 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.236 -1.331 25086 3130 1 10 . 1 1 -6 -6 MET N N -6 122.431 122.431 119.771 2.660 25086 3131 1 10 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.465 -0.012 25086 3132 1 10 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.296 0.795 25086 3133 1 10 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.866 -0.208 25086 3134 1 10 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.666 1.286 25086 3135 1 10 . 1 1 -6 -6 MET H H -6 8.520 8.520 7.869 0.651 25086 3136 1 10 . 1 1 -5 -5 SER N N -5 116.616 116.616 120.277 -3.661 25086 3137 1 10 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.513 -0.069 25086 3138 1 10 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.397 -0.935 25086 3139 1 10 . 1 1 -5 -5 SER CA C -5 58.379 58.379 59.576 -1.197 25086 3140 1 10 . 1 1 -5 -5 SER CB C -5 63.989 63.989 65.041 -1.052 25086 3141 1 10 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.177 0.233 25086 3142 1 10 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.730 -0.410 25086 3143 1 10 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.854 -0.252 25086 3144 1 10 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.413 -1.215 25086 3145 1 10 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 54.944 -0.164 25086 3146 1 10 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.151 -0.035 25086 3147 1 10 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.544 -0.115 25086 3148 1 10 . 1 1 -3 -3 ASP N N -3 119.793 119.793 119.066 0.727 25086 3149 1 10 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.333 0.231 25086 3150 1 10 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.182 -0.936 25086 3151 1 10 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.949 -2.220 25086 3152 1 10 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.048 0.146 25086 3153 1 10 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.606 -0.400 25086 3154 1 10 . 1 1 -2 -2 ASP N N -2 120.270 120.270 117.269 3.001 25086 3155 1 10 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.645 -0.078 25086 3156 1 10 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.839 0.214 25086 3157 1 10 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.051 -0.313 25086 3158 1 10 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.488 -1.244 25086 3159 1 10 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.973 0.197 25086 3160 1 10 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.548 0.731 25086 3161 1 10 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.804 -0.214 25086 3162 1 10 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.147 1.159 25086 3163 1 10 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 53.329 1.086 25086 3164 1 10 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 43.142 -2.038 25086 3165 1 10 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.828 0.397 25086 3166 1 10 . 1 1 0 0 LYS N N 0 121.408 121.408 123.744 -2.336 25086 3167 1 10 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.532 -0.147 25086 3168 1 10 . 1 1 0 0 LYS C C 0 177.017 177.017 175.808 1.209 25086 3169 1 10 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.387 0.710 25086 3170 1 10 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.065 0.904 25086 3171 1 10 . 1 1 0 0 LYS H H 0 8.251 8.251 8.675 -0.424 25086 3172 1 10 . 1 1 1 1 GLY N N 1 109.054 109.054 108.462 0.592 25086 3173 1 10 . 1 1 1 1 GLY C C 1 173.630 173.630 173.939 -0.309 25086 3174 1 10 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.666 0.619 25086 3175 1 10 . 1 1 1 1 GLY H H 1 8.370 8.370 8.360 0.010 25086 3176 1 10 . 1 1 2 2 ILE N N 2 120.862 120.862 123.743 -2.881 25086 3177 1 10 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.044 0.253 25086 3178 1 10 . 1 1 2 2 ILE C C 2 175.993 175.993 176.054 -0.061 25086 3179 1 10 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.723 -0.891 25086 3180 1 10 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.491 1.242 25086 3181 1 10 . 1 1 2 2 ILE H H 2 8.579 8.579 8.168 0.411 25086 3182 1 10 . 1 1 3 3 HIS N N 3 124.483 124.483 124.366 0.117 25086 3183 1 10 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.922 0.312 25086 3184 1 10 . 1 1 3 3 HIS C C 3 174.751 174.751 174.303 0.448 25086 3185 1 10 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.514 -0.229 25086 3186 1 10 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.542 -0.466 25086 3187 1 10 . 1 1 3 3 HIS H H 3 8.920 8.920 8.529 0.391 25086 3188 1 10 . 1 1 4 4 SER N N 4 117.417 117.417 118.199 -0.782 25086 3189 1 10 . 1 1 4 4 SER HA H 4 4.712 4.712 4.711 0.001 25086 3190 1 10 . 1 1 4 4 SER C C 4 174.112 174.112 173.156 0.956 25086 3191 1 10 . 1 1 4 4 SER CA C 4 56.102 56.102 57.100 -0.998 25086 3192 1 10 . 1 1 4 4 SER CB C 4 64.679 64.679 65.000 -0.321 25086 3193 1 10 . 1 1 4 4 SER H H 4 8.925 8.925 8.756 0.169 25086 3194 1 10 . 1 1 5 5 SER N N 5 114.372 114.372 116.821 -2.449 25086 3195 1 10 . 1 1 5 5 SER HA H 5 5.390 5.390 4.659 0.731 25086 3196 1 10 . 1 1 5 5 SER C C 5 173.075 173.075 173.548 -0.473 25086 3197 1 10 . 1 1 5 5 SER CA C 5 57.153 57.153 58.093 -0.940 25086 3198 1 10 . 1 1 5 5 SER CB C 5 65.752 65.752 65.026 0.726 25086 3199 1 10 . 1 1 5 5 SER H H 5 8.623 8.623 8.261 0.362 25086 3200 1 10 . 1 1 6 6 VAL N N 6 121.311 121.311 122.439 -1.128 25086 3201 1 10 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.123 0.046 25086 3202 1 10 . 1 1 6 6 VAL C C 6 175.872 175.872 176.272 -0.400 25086 3203 1 10 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.704 0.042 25086 3204 1 10 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.175 0.322 25086 3205 1 10 . 1 1 6 6 VAL H H 6 8.384 8.384 8.614 -0.230 25086 3206 1 10 . 1 1 7 7 LYS N N 7 128.341 128.341 129.412 -1.071 25086 3207 1 10 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.776 0.189 25086 3208 1 10 . 1 1 7 7 LYS C C 7 174.655 174.655 174.947 -0.292 25086 3209 1 10 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.612 -0.003 25086 3210 1 10 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.225 1.349 25086 3211 1 10 . 1 1 7 7 LYS H H 7 9.042 9.042 8.842 0.200 25086 3212 1 10 . 1 1 8 8 ARG N N 8 120.527 120.527 121.146 -0.619 25086 3213 1 10 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.660 -0.296 25086 3214 1 10 . 1 1 8 8 ARG C C 8 174.148 174.148 175.722 -1.574 25086 3215 1 10 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.057 0.119 25086 3216 1 10 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.616 -0.110 25086 3217 1 10 . 1 1 8 8 ARG H H 8 8.791 8.791 8.655 0.136 25086 3218 1 10 . 1 1 9 9 TRP N N 9 131.164 131.164 130.291 0.873 25086 3219 1 10 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.748 -0.096 25086 3220 1 10 . 1 1 9 9 TRP C C 9 176.351 176.351 175.807 0.544 25086 3221 1 10 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.839 -1.802 25086 3222 1 10 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.488 -1.422 25086 3223 1 10 . 1 1 9 9 TRP H H 9 8.994 8.994 9.224 -0.230 25086 3224 1 10 . 1 1 10 10 GLY N N 10 117.757 117.757 117.975 -0.218 25086 3225 1 10 . 1 1 10 10 GLY C C 10 173.798 173.798 174.248 -0.450 25086 3226 1 10 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.307 1.017 25086 3227 1 10 . 1 1 10 10 GLY H H 10 9.134 9.134 8.354 0.780 25086 3228 1 10 . 1 1 11 11 ASN N N 11 125.396 125.396 123.683 1.713 25086 3229 1 10 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.974 -0.205 25086 3230 1 10 . 1 1 11 11 ASN C C 11 175.190 175.190 174.400 0.790 25086 3231 1 10 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.779 -0.037 25086 3232 1 10 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.615 0.695 25086 3233 1 10 . 1 1 11 11 ASN H H 11 8.667 8.667 8.608 0.059 25086 3234 1 10 . 1 1 12 12 SER N N 12 115.939 115.939 116.675 -0.736 25086 3235 1 10 . 1 1 12 12 SER HA H 12 5.038 5.038 4.963 0.075 25086 3236 1 10 . 1 1 12 12 SER CA C 12 56.293 56.293 56.220 0.073 25086 3237 1 10 . 1 1 12 12 SER CB C 12 65.254 65.254 65.129 0.125 25086 3238 1 10 . 1 1 12 12 SER H H 12 7.798 7.798 7.700 0.098 25086 3239 1 10 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.985 -0.122 25086 3240 1 10 . 1 1 13 13 PRO C C 13 177.322 177.322 175.930 1.392 25086 3241 1 10 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.566 -0.437 25086 3242 1 10 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.790 0.828 25086 3243 1 10 . 1 1 14 14 ALA N N 14 125.096 125.096 128.763 -3.667 25086 3244 1 10 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.891 0.398 25086 3245 1 10 . 1 1 14 14 ALA C C 14 174.888 174.888 175.369 -0.481 25086 3246 1 10 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.457 0.313 25086 3247 1 10 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.764 1.508 25086 3248 1 10 . 1 1 14 14 ALA H H 14 9.419 9.419 9.156 0.263 25086 3249 1 10 . 1 1 15 15 VAL N N 15 116.316 116.316 122.695 -6.379 25086 3250 1 10 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.309 0.432 25086 3251 1 10 . 1 1 15 15 VAL C C 15 175.375 175.375 176.400 -1.025 25086 3252 1 10 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.084 -1.252 25086 3253 1 10 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.725 1.816 25086 3254 1 10 . 1 1 15 15 VAL H H 15 8.491 8.491 8.470 0.021 25086 3255 1 10 . 1 1 16 16 ARG N N 16 125.595 125.595 126.143 -0.548 25086 3256 1 10 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.320 0.413 25086 3257 1 10 . 1 1 16 16 ARG C C 16 176.071 176.071 175.381 0.690 25086 3258 1 10 . 1 1 16 16 ARG CA C 16 56.204 56.204 56.028 0.176 25086 3259 1 10 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.616 -0.124 25086 3260 1 10 . 1 1 16 16 ARG H H 16 8.812 8.812 8.442 0.370 25086 3261 1 10 . 1 1 17 17 ILE N N 17 123.572 123.572 126.150 -2.578 25086 3262 1 10 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.361 0.034 25086 3263 1 10 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.056 -0.465 25086 3264 1 10 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.297 0.484 25086 3265 1 10 . 1 1 17 17 ILE H H 17 8.020 8.020 8.333 -0.313 25086 3266 1 10 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.423 -0.032 25086 3267 1 10 . 1 1 18 18 PRO C C 18 177.860 177.860 177.457 0.403 25086 3268 1 10 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.727 0.141 25086 3269 1 10 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.262 0.574 25086 3270 1 10 . 1 1 19 19 ALA N N 19 128.602 128.602 128.529 0.073 25086 3271 1 10 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.003 -0.065 25086 3272 1 10 . 1 1 19 19 ALA C C 19 180.059 180.059 179.614 0.445 25086 3273 1 10 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.096 0.778 25086 3274 1 10 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.125 0.175 25086 3275 1 10 . 1 1 19 19 ALA H H 19 8.975 8.975 8.775 0.200 25086 3276 1 10 . 1 1 20 20 THR N N 20 108.352 108.352 114.962 -6.610 25086 3277 1 10 . 1 1 20 20 THR HA H 20 4.041 4.041 4.034 0.007 25086 3278 1 10 . 1 1 20 20 THR C C 20 177.381 177.381 176.523 0.858 25086 3279 1 10 . 1 1 20 20 THR CA C 20 64.688 64.688 65.995 -1.307 25086 3280 1 10 . 1 1 20 20 THR CB C 20 68.155 68.155 68.220 -0.065 25086 3281 1 10 . 1 1 20 20 THR H H 20 8.263 8.263 8.234 0.029 25086 3282 1 10 . 1 1 21 21 LEU N N 21 121.199 121.199 121.672 -0.473 25086 3283 1 10 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.218 0.008 25086 3284 1 10 . 1 1 21 21 LEU C C 21 178.002 178.002 178.859 -0.857 25086 3285 1 10 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.178 -0.235 25086 3286 1 10 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.098 -0.066 25086 3287 1 10 . 1 1 21 21 LEU H H 21 7.040 7.040 7.728 -0.688 25086 3288 1 10 . 1 1 22 22 MET N N 22 117.150 117.150 118.949 -1.799 25086 3289 1 10 . 1 1 22 22 MET HA H 22 4.019 4.019 3.932 0.087 25086 3290 1 10 . 1 1 22 22 MET C C 22 178.951 178.951 178.740 0.211 25086 3291 1 10 . 1 1 22 22 MET CA C 22 57.881 57.881 58.851 -0.970 25086 3292 1 10 . 1 1 22 22 MET CB C 22 30.803 30.803 31.323 -0.520 25086 3293 1 10 . 1 1 22 22 MET H H 22 7.415 7.415 8.020 -0.605 25086 3294 1 10 . 1 1 23 23 GLN N N 23 116.690 116.690 116.489 0.201 25086 3295 1 10 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.108 0.052 25086 3296 1 10 . 1 1 23 23 GLN C C 23 179.589 179.589 178.607 0.982 25086 3297 1 10 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.267 0.248 25086 3298 1 10 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.520 -0.232 25086 3299 1 10 . 1 1 23 23 GLN H H 23 7.953 7.953 7.928 0.025 25086 3300 1 10 . 1 1 24 24 ALA N N 24 122.104 122.104 121.500 0.604 25086 3301 1 10 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.209 -0.101 25086 3302 1 10 . 1 1 24 24 ALA C C 24 179.010 179.010 178.939 0.071 25086 3303 1 10 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.447 0.298 25086 3304 1 10 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.782 -0.063 25086 3305 1 10 . 1 1 24 24 ALA H H 24 7.617 7.617 7.542 0.075 25086 3306 1 10 . 1 1 25 25 LEU N N 25 115.630 115.630 116.036 -0.406 25086 3307 1 10 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.291 0.015 25086 3308 1 10 . 1 1 25 25 LEU C C 25 175.862 175.862 176.493 -0.631 25086 3309 1 10 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.802 -0.793 25086 3310 1 10 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.381 1.236 25086 3311 1 10 . 1 1 25 25 LEU H H 25 7.381 7.381 8.052 -0.671 25086 3312 1 10 . 1 1 26 26 ASN N N 26 118.019 118.019 114.870 3.149 25086 3313 1 10 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.394 -0.105 25086 3314 1 10 . 1 1 26 26 ASN C C 26 173.478 173.478 174.788 -1.310 25086 3315 1 10 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.364 -0.171 25086 3316 1 10 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.012 0.346 25086 3317 1 10 . 1 1 26 26 ASN H H 26 7.966 7.966 7.758 0.208 25086 3318 1 10 . 1 1 27 27 LEU N N 27 118.539 118.539 115.608 2.931 25086 3319 1 10 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.680 -0.097 25086 3320 1 10 . 1 1 27 27 LEU C C 27 174.995 174.995 175.396 -0.401 25086 3321 1 10 . 1 1 27 27 LEU CA C 27 53.740 53.740 54.117 -0.377 25086 3322 1 10 . 1 1 27 27 LEU CB C 27 46.165 46.165 43.587 2.578 25086 3323 1 10 . 1 1 27 27 LEU H H 27 8.023 8.023 7.718 0.305 25086 3324 1 10 . 1 1 28 28 ASN N N 28 121.416 121.416 114.806 6.610 25086 3325 1 10 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.835 0.045 25086 3326 1 10 . 1 1 28 28 ASN C C 28 174.980 174.980 174.560 0.420 25086 3327 1 10 . 1 1 28 28 ASN CA C 28 51.344 51.344 52.049 -0.705 25086 3328 1 10 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.072 1.480 25086 3329 1 10 . 1 1 28 28 ASN H H 28 8.889 8.889 8.636 0.253 25086 3330 1 10 . 1 1 29 29 ILE N N 29 120.022 120.022 120.482 -0.460 25086 3331 1 10 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.163 -0.836 25086 3332 1 10 . 1 1 29 29 ILE C C 29 176.499 176.499 176.157 0.342 25086 3333 1 10 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.457 0.787 25086 3334 1 10 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.409 -0.143 25086 3335 1 10 . 1 1 29 29 ILE H H 29 8.396 8.396 8.467 -0.071 25086 3336 1 10 . 1 1 30 30 ASP N N 30 121.326 121.326 122.493 -1.167 25086 3337 1 10 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.390 0.011 25086 3338 1 10 . 1 1 30 30 ASP C C 30 175.994 175.994 175.238 0.756 25086 3339 1 10 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.185 2.758 25086 3340 1 10 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.360 -1.545 25086 3341 1 10 . 1 1 30 30 ASP H H 30 9.114 9.114 8.783 0.331 25086 3342 1 10 . 1 1 31 31 ASP N N 31 121.764 121.764 121.031 0.733 25086 3343 1 10 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.651 0.042 25086 3344 1 10 . 1 1 31 31 ASP C C 31 175.904 175.904 175.741 0.163 25086 3345 1 10 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.543 0.749 25086 3346 1 10 . 1 1 31 31 ASP CB C 31 41.176 41.176 41.456 -0.280 25086 3347 1 10 . 1 1 31 31 ASP H H 31 8.056 8.056 7.893 0.163 25086 3348 1 10 . 1 1 32 32 GLU N N 32 120.895 120.895 126.368 -5.473 25086 3349 1 10 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.337 0.359 25086 3350 1 10 . 1 1 32 32 GLU C C 32 176.717 176.717 175.066 1.651 25086 3351 1 10 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.315 0.094 25086 3352 1 10 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.755 0.549 25086 3353 1 10 . 1 1 32 32 GLU H H 32 8.683 8.683 8.472 0.211 25086 3354 1 10 . 1 1 33 33 VAL N N 33 114.605 114.605 119.806 -5.201 25086 3355 1 10 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.466 0.540 25086 3356 1 10 . 1 1 33 33 VAL C C 33 173.447 173.447 174.784 -1.337 25086 3357 1 10 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.879 -1.451 25086 3358 1 10 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.340 0.424 25086 3359 1 10 . 1 1 33 33 VAL H H 33 8.423 8.423 8.140 0.283 25086 3360 1 10 . 1 1 34 34 LYS N N 34 122.276 122.276 123.934 -1.658 25086 3361 1 10 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.520 0.247 25086 3362 1 10 . 1 1 34 34 LYS C C 34 175.062 175.062 175.575 -0.513 25086 3363 1 10 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.470 -0.818 25086 3364 1 10 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.208 1.649 25086 3365 1 10 . 1 1 34 34 LYS H H 34 8.989 8.989 8.164 0.825 25086 3366 1 10 . 1 1 35 35 ILE N N 35 124.021 124.021 127.706 -3.685 25086 3367 1 10 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.498 0.556 25086 3368 1 10 . 1 1 35 35 ILE C C 35 174.111 174.111 175.464 -1.353 25086 3369 1 10 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.417 -0.179 25086 3370 1 10 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.604 2.385 25086 3371 1 10 . 1 1 35 35 ILE H H 35 8.717 8.717 8.583 0.134 25086 3372 1 10 . 1 1 36 36 ASP N N 36 126.126 126.126 128.923 -2.797 25086 3373 1 10 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.866 0.188 25086 3374 1 10 . 1 1 36 36 ASP C C 36 173.496 173.496 174.424 -0.928 25086 3375 1 10 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.503 -1.260 25086 3376 1 10 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.359 1.921 25086 3377 1 10 . 1 1 36 36 ASP H H 36 8.948 8.948 8.039 0.909 25086 3378 1 10 . 1 1 37 37 LEU N N 37 123.664 123.664 125.840 -2.176 25086 3379 1 10 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.080 0.121 25086 3380 1 10 . 1 1 37 37 LEU C C 37 175.865 175.865 175.674 0.191 25086 3381 1 10 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.504 0.557 25086 3382 1 10 . 1 1 37 37 LEU CB C 37 44.306 44.306 43.029 1.277 25086 3383 1 10 . 1 1 37 37 LEU H H 37 8.629 8.629 8.583 0.046 25086 3384 1 10 . 1 1 38 38 VAL N N 38 126.795 126.795 127.073 -0.278 25086 3385 1 10 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.309 -0.120 25086 3386 1 10 . 1 1 38 38 VAL C C 38 175.379 175.379 175.062 0.317 25086 3387 1 10 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.877 -0.397 25086 3388 1 10 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.147 0.955 25086 3389 1 10 . 1 1 38 38 VAL H H 38 8.772 8.772 9.061 -0.289 25086 3390 1 10 . 1 1 39 39 ASP N N 39 127.355 127.355 128.409 -1.054 25086 3391 1 10 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.312 -0.091 25086 3392 1 10 . 1 1 39 39 ASP C C 39 175.944 175.944 176.614 -0.670 25086 3393 1 10 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.173 0.051 25086 3394 1 10 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.178 -0.172 25086 3395 1 10 . 1 1 39 39 ASP H H 39 9.154 9.154 9.096 0.058 25086 3396 1 10 . 1 1 40 40 GLY N N 40 103.124 103.124 104.254 -1.130 25086 3397 1 10 . 1 1 40 40 GLY C C 40 172.842 172.842 173.700 -0.858 25086 3398 1 10 . 1 1 40 40 GLY CA C 40 46.062 46.062 44.867 1.195 25086 3399 1 10 . 1 1 40 40 GLY H H 40 8.425 8.425 8.157 0.268 25086 3400 1 10 . 1 1 41 41 LYS N N 41 117.155 117.155 122.080 -4.925 25086 3401 1 10 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.475 0.270 25086 3402 1 10 . 1 1 41 41 LYS C C 41 174.385 174.385 175.220 -0.835 25086 3403 1 10 . 1 1 41 41 LYS CA C 41 54.490 54.490 55.945 -1.455 25086 3404 1 10 . 1 1 41 41 LYS CB C 41 35.244 35.244 33.713 1.531 25086 3405 1 10 . 1 1 41 41 LYS H H 41 7.676 7.676 7.788 -0.112 25086 3406 1 10 . 1 1 42 42 LEU N N 42 119.938 119.938 125.130 -5.192 25086 3407 1 10 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.875 0.191 25086 3408 1 10 . 1 1 42 42 LEU C C 42 174.895 174.895 176.862 -1.967 25086 3409 1 10 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.105 -0.545 25086 3410 1 10 . 1 1 42 42 LEU CB C 42 43.448 43.448 43.381 0.067 25086 3411 1 10 . 1 1 42 42 LEU H H 42 8.585 8.585 8.454 0.131 25086 3412 1 10 . 1 1 43 43 ILE N N 43 123.764 123.764 124.270 -0.506 25086 3413 1 10 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.408 0.517 25086 3414 1 10 . 1 1 43 43 ILE C C 43 175.893 175.893 174.663 1.230 25086 3415 1 10 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.412 -0.125 25086 3416 1 10 . 1 1 43 43 ILE CB C 43 39.178 39.178 40.190 -1.012 25086 3417 1 10 . 1 1 43 43 ILE H H 43 9.075 9.075 8.467 0.608 25086 3418 1 10 . 1 1 44 44 ILE N N 44 126.815 126.815 125.946 0.869 25086 3419 1 10 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.459 0.497 25086 3420 1 10 . 1 1 44 44 ILE C C 44 174.230 174.230 175.670 -1.440 25086 3421 1 10 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.100 1.118 25086 3422 1 10 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.805 1.356 25086 3423 1 10 . 1 1 44 44 ILE H H 44 9.411 9.411 8.457 0.954 25086 3424 1 10 . 1 1 45 45 GLU N N 45 126.742 126.742 130.029 -3.287 25086 3425 1 10 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.951 0.223 25086 3426 1 10 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.639 -0.688 25086 3427 1 10 . 1 1 45 45 GLU CB C 45 33.866 33.866 33.204 0.662 25086 3428 1 10 . 1 1 45 45 GLU H H 45 8.929 8.929 8.284 0.645 25086 3429 1 10 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.550 0.002 25086 3430 1 10 . 1 1 46 46 PRO C C 46 175.856 175.856 176.023 -0.167 25086 3431 1 10 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.148 1.067 25086 3432 1 10 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.876 -0.438 25086 3433 1 10 . 1 1 47 47 VAL N N 47 123.846 123.846 120.933 2.913 25086 3434 1 10 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.109 -0.092 25086 3435 1 10 . 1 1 47 47 VAL C C 47 175.776 175.776 175.271 0.505 25086 3436 1 10 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.872 0.784 25086 3437 1 10 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.052 1.219 25086 3438 1 10 . 1 1 47 47 VAL H H 47 7.893 7.893 7.917 -0.024 25086 3439 1 10 . 1 1 48 48 ARG N N 48 126.674 126.674 128.462 -1.788 25086 3440 1 10 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.433 -0.027 25086 3441 1 10 . 1 1 48 48 ARG C C 48 175.887 175.887 175.824 0.063 25086 3442 1 10 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.660 -0.140 25086 3443 1 10 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.786 0.015 25086 3444 1 10 . 1 1 48 48 ARG H H 48 8.646 8.646 7.903 0.743 25086 3445 1 10 . 1 1 49 49 LYS N N 49 124.176 124.176 123.603 0.573 25086 3446 1 10 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.568 -0.209 25086 3447 1 10 . 1 1 49 49 LYS C C 49 175.579 175.579 175.888 -0.309 25086 3448 1 10 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.823 0.347 25086 3449 1 10 . 1 1 49 49 LYS CB C 49 33.218 33.218 33.517 -0.300 25086 3450 1 10 . 1 1 49 49 LYS H H 49 8.563 8.563 8.419 0.144 25086 3451 1 11 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.890 -0.283 25086 3452 1 11 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.739 0.066 25086 3453 1 11 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.959 0.139 25086 3454 1 11 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 29.608 0.772 25086 3455 1 11 . 1 1 -14 -14 LYS N N -14 122.750 122.750 124.693 -1.943 25086 3456 1 11 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.629 -0.386 25086 3457 1 11 . 1 1 -14 -14 LYS C C -14 176.150 176.150 176.141 0.009 25086 3458 1 11 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.522 0.826 25086 3459 1 11 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 33.806 -0.821 25086 3460 1 11 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.411 -0.057 25086 3461 1 11 . 1 1 -13 -13 VAL N N -13 121.546 121.546 117.826 3.720 25086 3462 1 11 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.522 -0.544 25086 3463 1 11 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.028 -0.417 25086 3464 1 11 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 61.580 0.568 25086 3465 1 11 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 33.510 -0.695 25086 3466 1 11 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.352 -0.254 25086 3467 1 11 . 1 1 -12 -12 HIS N N -12 123.329 123.329 122.534 0.795 25086 3468 1 11 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.614 -1.088 25086 3469 1 11 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 30.445 -0.005 25086 3470 1 11 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.883 -0.445 25086 3471 1 11 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.585 0.021 25086 3472 1 11 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.765 -1.051 25086 3473 1 11 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.252 0.729 25086 3474 1 11 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.919 -1.014 25086 3475 1 11 . 1 1 -6 -6 MET N N -6 122.431 122.431 122.116 0.315 25086 3476 1 11 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.513 -0.060 25086 3477 1 11 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.584 0.507 25086 3478 1 11 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.523 1.135 25086 3479 1 11 . 1 1 -6 -6 MET CB C -6 32.952 32.952 30.340 2.612 25086 3480 1 11 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.687 -0.167 25086 3481 1 11 . 1 1 -5 -5 SER N N -5 116.616 116.616 116.430 0.186 25086 3482 1 11 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.719 -0.275 25086 3483 1 11 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.727 -1.265 25086 3484 1 11 . 1 1 -5 -5 SER CA C -5 58.379 58.379 58.880 -0.500 25086 3485 1 11 . 1 1 -5 -5 SER CB C -5 63.989 63.989 64.753 -0.764 25086 3486 1 11 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.429 -0.019 25086 3487 1 11 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.969 -0.649 25086 3488 1 11 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.590 0.012 25086 3489 1 11 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.977 -0.779 25086 3490 1 11 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 57.267 -2.487 25086 3491 1 11 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.149 -0.032 25086 3492 1 11 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.809 -0.380 25086 3493 1 11 . 1 1 -3 -3 ASP N N -3 119.793 119.793 116.009 3.784 25086 3494 1 11 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.543 0.021 25086 3495 1 11 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.449 -0.203 25086 3496 1 11 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 54.935 -0.206 25086 3497 1 11 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 39.645 1.548 25086 3498 1 11 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.604 -0.398 25086 3499 1 11 . 1 1 -2 -2 ASP N N -2 120.270 120.270 121.135 -0.865 25086 3500 1 11 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.488 0.079 25086 3501 1 11 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.521 0.532 25086 3502 1 11 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.787 -1.049 25086 3503 1 11 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.335 -0.091 25086 3504 1 11 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.598 0.572 25086 3505 1 11 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.873 0.406 25086 3506 1 11 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.608 -0.018 25086 3507 1 11 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.035 0.271 25086 3508 1 11 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.445 -0.030 25086 3509 1 11 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.393 0.711 25086 3510 1 11 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.678 0.547 25086 3511 1 11 . 1 1 0 0 LYS N N 0 121.408 121.408 123.657 -2.249 25086 3512 1 11 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.613 -0.228 25086 3513 1 11 . 1 1 0 0 LYS C C 0 177.017 177.017 176.386 0.631 25086 3514 1 11 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.121 -0.024 25086 3515 1 11 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.701 -0.732 25086 3516 1 11 . 1 1 0 0 LYS H H 0 8.251 8.251 7.850 0.401 25086 3517 1 11 . 1 1 1 1 GLY N N 1 109.054 109.054 109.852 -0.798 25086 3518 1 11 . 1 1 1 1 GLY C C 1 173.630 173.630 173.852 -0.222 25086 3519 1 11 . 1 1 1 1 GLY CA C 1 45.285 45.285 43.701 1.584 25086 3520 1 11 . 1 1 1 1 GLY H H 1 8.370 8.370 7.994 0.376 25086 3521 1 11 . 1 1 2 2 ILE N N 2 120.862 120.862 121.750 -0.888 25086 3522 1 11 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.911 0.386 25086 3523 1 11 . 1 1 2 2 ILE C C 2 175.993 175.993 175.514 0.479 25086 3524 1 11 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.576 0.256 25086 3525 1 11 . 1 1 2 2 ILE CB C 2 39.733 39.733 36.656 3.077 25086 3526 1 11 . 1 1 2 2 ILE H H 2 8.579 8.579 7.997 0.582 25086 3527 1 11 . 1 1 3 3 HIS N N 3 124.483 124.483 128.015 -3.532 25086 3528 1 11 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.710 0.524 25086 3529 1 11 . 1 1 3 3 HIS C C 3 174.751 174.751 174.699 0.052 25086 3530 1 11 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.516 -0.231 25086 3531 1 11 . 1 1 3 3 HIS CB C 3 30.076 30.076 28.829 1.247 25086 3532 1 11 . 1 1 3 3 HIS H H 3 8.920 8.920 8.645 0.275 25086 3533 1 11 . 1 1 4 4 SER N N 4 117.417 117.417 119.072 -1.655 25086 3534 1 11 . 1 1 4 4 SER HA H 4 4.712 4.712 4.844 -0.132 25086 3535 1 11 . 1 1 4 4 SER C C 4 174.112 174.112 173.999 0.113 25086 3536 1 11 . 1 1 4 4 SER CA C 4 56.102 56.102 57.748 -1.646 25086 3537 1 11 . 1 1 4 4 SER CB C 4 64.679 64.679 64.388 0.291 25086 3538 1 11 . 1 1 4 4 SER H H 4 8.925 8.925 8.352 0.573 25086 3539 1 11 . 1 1 5 5 SER N N 5 114.372 114.372 115.595 -1.223 25086 3540 1 11 . 1 1 5 5 SER HA H 5 5.390 5.390 4.715 0.675 25086 3541 1 11 . 1 1 5 5 SER C C 5 173.075 173.075 172.409 0.666 25086 3542 1 11 . 1 1 5 5 SER CA C 5 57.153 57.153 57.994 -0.841 25086 3543 1 11 . 1 1 5 5 SER CB C 5 65.752 65.752 63.940 1.812 25086 3544 1 11 . 1 1 5 5 SER H H 5 8.623 8.623 8.172 0.451 25086 3545 1 11 . 1 1 6 6 VAL N N 6 121.311 121.311 124.706 -3.395 25086 3546 1 11 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.471 -0.302 25086 3547 1 11 . 1 1 6 6 VAL C C 6 175.872 175.872 176.108 -0.236 25086 3548 1 11 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.091 0.655 25086 3549 1 11 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.869 -0.371 25086 3550 1 11 . 1 1 6 6 VAL H H 6 8.384 8.384 8.466 -0.082 25086 3551 1 11 . 1 1 7 7 LYS N N 7 128.341 128.341 128.898 -0.557 25086 3552 1 11 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.858 0.107 25086 3553 1 11 . 1 1 7 7 LYS C C 7 174.655 174.655 174.683 -0.028 25086 3554 1 11 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.487 0.122 25086 3555 1 11 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.629 0.945 25086 3556 1 11 . 1 1 7 7 LYS H H 7 9.042 9.042 9.053 -0.011 25086 3557 1 11 . 1 1 8 8 ARG N N 8 120.527 120.527 121.791 -1.264 25086 3558 1 11 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.653 -0.289 25086 3559 1 11 . 1 1 8 8 ARG C C 8 174.148 174.148 175.750 -1.602 25086 3560 1 11 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.183 -0.007 25086 3561 1 11 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.300 0.206 25086 3562 1 11 . 1 1 8 8 ARG H H 8 8.791 8.791 8.709 0.082 25086 3563 1 11 . 1 1 9 9 TRP N N 9 131.164 131.164 130.674 0.490 25086 3564 1 11 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.706 -0.054 25086 3565 1 11 . 1 1 9 9 TRP C C 9 176.351 176.351 175.918 0.433 25086 3566 1 11 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.913 -1.876 25086 3567 1 11 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.178 -1.113 25086 3568 1 11 . 1 1 9 9 TRP H H 9 8.994 8.994 9.158 -0.164 25086 3569 1 11 . 1 1 10 10 GLY N N 10 117.757 117.757 117.667 0.090 25086 3570 1 11 . 1 1 10 10 GLY C C 10 173.798 173.798 173.440 0.358 25086 3571 1 11 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.273 1.051 25086 3572 1 11 . 1 1 10 10 GLY H H 10 9.134 9.134 8.253 0.881 25086 3573 1 11 . 1 1 11 11 ASN N N 11 125.396 125.396 123.111 2.285 25086 3574 1 11 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.833 -0.064 25086 3575 1 11 . 1 1 11 11 ASN C C 11 175.190 175.190 174.186 1.004 25086 3576 1 11 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.251 0.492 25086 3577 1 11 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.050 0.261 25086 3578 1 11 . 1 1 11 11 ASN H H 11 8.667 8.667 8.598 0.069 25086 3579 1 11 . 1 1 12 12 SER N N 12 115.939 115.939 116.358 -0.419 25086 3580 1 11 . 1 1 12 12 SER HA H 12 5.038 5.038 4.950 0.088 25086 3581 1 11 . 1 1 12 12 SER CA C 12 56.293 56.293 55.031 1.262 25086 3582 1 11 . 1 1 12 12 SER CB C 12 65.254 65.254 64.683 0.571 25086 3583 1 11 . 1 1 12 12 SER H H 12 7.798 7.798 7.641 0.157 25086 3584 1 11 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.854 0.009 25086 3585 1 11 . 1 1 13 13 PRO C C 13 177.322 177.322 175.899 1.423 25086 3586 1 11 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.715 -0.585 25086 3587 1 11 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.810 0.808 25086 3588 1 11 . 1 1 14 14 ALA N N 14 125.096 125.096 128.792 -3.696 25086 3589 1 11 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.938 0.351 25086 3590 1 11 . 1 1 14 14 ALA C C 14 174.888 174.888 175.473 -0.585 25086 3591 1 11 . 1 1 14 14 ALA CA C 14 51.770 51.770 50.863 0.907 25086 3592 1 11 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.816 1.455 25086 3593 1 11 . 1 1 14 14 ALA H H 14 9.419 9.419 9.157 0.262 25086 3594 1 11 . 1 1 15 15 VAL N N 15 116.316 116.316 122.897 -6.581 25086 3595 1 11 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.293 0.448 25086 3596 1 11 . 1 1 15 15 VAL C C 15 175.375 175.375 175.901 -0.526 25086 3597 1 11 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.255 -1.423 25086 3598 1 11 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.026 2.515 25086 3599 1 11 . 1 1 15 15 VAL H H 15 8.491 8.491 8.595 -0.104 25086 3600 1 11 . 1 1 16 16 ARG N N 16 125.595 125.595 127.108 -1.513 25086 3601 1 11 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.325 0.408 25086 3602 1 11 . 1 1 16 16 ARG C C 16 176.071 176.071 175.142 0.929 25086 3603 1 11 . 1 1 16 16 ARG CA C 16 56.204 56.204 56.071 0.133 25086 3604 1 11 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.615 -0.122 25086 3605 1 11 . 1 1 16 16 ARG H H 16 8.812 8.812 8.707 0.105 25086 3606 1 11 . 1 1 17 17 ILE N N 17 123.572 123.572 126.613 -3.041 25086 3607 1 11 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.392 0.003 25086 3608 1 11 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.072 -0.481 25086 3609 1 11 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.416 0.365 25086 3610 1 11 . 1 1 17 17 ILE H H 17 8.020 8.020 8.350 -0.330 25086 3611 1 11 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.532 -0.141 25086 3612 1 11 . 1 1 18 18 PRO C C 18 177.860 177.860 177.068 0.792 25086 3613 1 11 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.553 0.315 25086 3614 1 11 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.311 0.525 25086 3615 1 11 . 1 1 19 19 ALA N N 19 128.602 128.602 128.573 0.029 25086 3616 1 11 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.018 -0.080 25086 3617 1 11 . 1 1 19 19 ALA C C 19 180.059 180.059 179.594 0.465 25086 3618 1 11 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.192 0.683 25086 3619 1 11 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.256 0.044 25086 3620 1 11 . 1 1 19 19 ALA H H 19 8.975 8.975 8.791 0.184 25086 3621 1 11 . 1 1 20 20 THR N N 20 108.352 108.352 115.341 -6.989 25086 3622 1 11 . 1 1 20 20 THR HA H 20 4.041 4.041 4.002 0.039 25086 3623 1 11 . 1 1 20 20 THR C C 20 177.381 177.381 176.393 0.988 25086 3624 1 11 . 1 1 20 20 THR CA C 20 64.688 64.688 65.995 -1.307 25086 3625 1 11 . 1 1 20 20 THR CB C 20 68.155 68.155 68.372 -0.217 25086 3626 1 11 . 1 1 20 20 THR H H 20 8.263 8.263 8.187 0.076 25086 3627 1 11 . 1 1 21 21 LEU N N 21 121.199 121.199 121.326 -0.127 25086 3628 1 11 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.204 0.022 25086 3629 1 11 . 1 1 21 21 LEU C C 21 178.002 178.002 178.530 -0.528 25086 3630 1 11 . 1 1 21 21 LEU CA C 21 56.943 56.943 56.943 0.000 25086 3631 1 11 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.210 -0.178 25086 3632 1 11 . 1 1 21 21 LEU H H 21 7.040 7.040 7.743 -0.703 25086 3633 1 11 . 1 1 22 22 MET N N 22 117.150 117.150 118.748 -1.598 25086 3634 1 11 . 1 1 22 22 MET HA H 22 4.019 4.019 3.839 0.180 25086 3635 1 11 . 1 1 22 22 MET C C 22 178.951 178.951 178.530 0.421 25086 3636 1 11 . 1 1 22 22 MET CA C 22 57.881 57.881 60.095 -2.214 25086 3637 1 11 . 1 1 22 22 MET CB C 22 30.803 30.803 32.110 -1.307 25086 3638 1 11 . 1 1 22 22 MET H H 22 7.415 7.415 8.203 -0.788 25086 3639 1 11 . 1 1 23 23 GLN N N 23 116.690 116.690 117.020 -0.330 25086 3640 1 11 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.032 0.128 25086 3641 1 11 . 1 1 23 23 GLN C C 23 179.589 179.589 178.827 0.762 25086 3642 1 11 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.532 -0.017 25086 3643 1 11 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.449 -0.161 25086 3644 1 11 . 1 1 23 23 GLN H H 23 7.953 7.953 7.916 0.037 25086 3645 1 11 . 1 1 24 24 ALA N N 24 122.104 122.104 121.619 0.485 25086 3646 1 11 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.152 -0.044 25086 3647 1 11 . 1 1 24 24 ALA C C 24 179.010 179.010 178.746 0.264 25086 3648 1 11 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.374 0.371 25086 3649 1 11 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.886 -0.167 25086 3650 1 11 . 1 1 24 24 ALA H H 24 7.617 7.617 7.476 0.141 25086 3651 1 11 . 1 1 25 25 LEU N N 25 115.630 115.630 115.961 -0.331 25086 3652 1 11 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.425 -0.119 25086 3653 1 11 . 1 1 25 25 LEU C C 25 175.862 175.862 176.633 -0.771 25086 3654 1 11 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.863 -0.854 25086 3655 1 11 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.311 1.306 25086 3656 1 11 . 1 1 25 25 LEU H H 25 7.381 7.381 7.953 -0.572 25086 3657 1 11 . 1 1 26 26 ASN N N 26 118.019 118.019 112.892 5.127 25086 3658 1 11 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.502 -0.213 25086 3659 1 11 . 1 1 26 26 ASN C C 26 173.478 173.478 174.739 -1.261 25086 3660 1 11 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.343 -0.150 25086 3661 1 11 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.403 -0.045 25086 3662 1 11 . 1 1 26 26 ASN H H 26 7.966 7.966 7.697 0.269 25086 3663 1 11 . 1 1 27 27 LEU N N 27 118.539 118.539 115.345 3.194 25086 3664 1 11 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.639 -0.056 25086 3665 1 11 . 1 1 27 27 LEU C C 27 174.995 174.995 175.160 -0.165 25086 3666 1 11 . 1 1 27 27 LEU CA C 27 53.740 53.740 54.400 -0.660 25086 3667 1 11 . 1 1 27 27 LEU CB C 27 46.165 46.165 43.603 2.562 25086 3668 1 11 . 1 1 27 27 LEU H H 27 8.023 8.023 7.763 0.260 25086 3669 1 11 . 1 1 28 28 ASN N N 28 121.416 121.416 115.698 5.718 25086 3670 1 11 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.861 0.019 25086 3671 1 11 . 1 1 28 28 ASN C C 28 174.980 174.980 174.533 0.447 25086 3672 1 11 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.910 -0.566 25086 3673 1 11 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.004 1.550 25086 3674 1 11 . 1 1 28 28 ASN H H 28 8.889 8.889 8.133 0.756 25086 3675 1 11 . 1 1 29 29 ILE N N 29 120.022 120.022 121.229 -1.207 25086 3676 1 11 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.132 -0.805 25086 3677 1 11 . 1 1 29 29 ILE C C 29 176.499 176.499 176.940 -0.441 25086 3678 1 11 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.189 1.055 25086 3679 1 11 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.178 -0.912 25086 3680 1 11 . 1 1 29 29 ILE H H 29 8.396 8.396 8.388 0.008 25086 3681 1 11 . 1 1 30 30 ASP N N 30 121.326 121.326 123.299 -1.973 25086 3682 1 11 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.377 0.024 25086 3683 1 11 . 1 1 30 30 ASP C C 30 175.994 175.994 174.784 1.210 25086 3684 1 11 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.120 2.823 25086 3685 1 11 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.589 -1.774 25086 3686 1 11 . 1 1 30 30 ASP H H 30 9.114 9.114 8.805 0.309 25086 3687 1 11 . 1 1 31 31 ASP N N 31 121.764 121.764 119.418 2.346 25086 3688 1 11 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.722 -0.029 25086 3689 1 11 . 1 1 31 31 ASP C C 31 175.904 175.904 175.551 0.353 25086 3690 1 11 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.832 1.460 25086 3691 1 11 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.719 -1.543 25086 3692 1 11 . 1 1 31 31 ASP H H 31 8.056 8.056 7.898 0.158 25086 3693 1 11 . 1 1 32 32 GLU N N 32 120.895 120.895 124.058 -3.163 25086 3694 1 11 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.418 0.278 25086 3695 1 11 . 1 1 32 32 GLU C C 32 176.717 176.717 175.000 1.717 25086 3696 1 11 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.069 0.340 25086 3697 1 11 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.750 0.554 25086 3698 1 11 . 1 1 32 32 GLU H H 32 8.683 8.683 8.546 0.137 25086 3699 1 11 . 1 1 33 33 VAL N N 33 114.605 114.605 118.447 -3.842 25086 3700 1 11 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.420 0.586 25086 3701 1 11 . 1 1 33 33 VAL C C 33 173.447 173.447 174.681 -1.234 25086 3702 1 11 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.457 -1.029 25086 3703 1 11 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.998 0.766 25086 3704 1 11 . 1 1 33 33 VAL H H 33 8.423 8.423 8.118 0.305 25086 3705 1 11 . 1 1 34 34 LYS N N 34 122.276 122.276 124.050 -1.774 25086 3706 1 11 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.569 0.198 25086 3707 1 11 . 1 1 34 34 LYS C C 34 175.062 175.062 175.453 -0.391 25086 3708 1 11 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.399 -0.747 25086 3709 1 11 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.944 0.913 25086 3710 1 11 . 1 1 34 34 LYS H H 34 8.989 8.989 8.080 0.909 25086 3711 1 11 . 1 1 35 35 ILE N N 35 124.021 124.021 126.483 -2.462 25086 3712 1 11 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.601 0.453 25086 3713 1 11 . 1 1 35 35 ILE C C 35 174.111 174.111 175.408 -1.297 25086 3714 1 11 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.159 0.079 25086 3715 1 11 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.654 2.335 25086 3716 1 11 . 1 1 35 35 ILE H H 35 8.717 8.717 8.648 0.069 25086 3717 1 11 . 1 1 36 36 ASP N N 36 126.126 126.126 128.396 -2.270 25086 3718 1 11 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.864 0.190 25086 3719 1 11 . 1 1 36 36 ASP C C 36 173.496 173.496 174.614 -1.118 25086 3720 1 11 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.174 -0.931 25086 3721 1 11 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.786 1.494 25086 3722 1 11 . 1 1 36 36 ASP H H 36 8.948 8.948 8.355 0.593 25086 3723 1 11 . 1 1 37 37 LEU N N 37 123.664 123.664 125.609 -1.945 25086 3724 1 11 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.887 0.314 25086 3725 1 11 . 1 1 37 37 LEU C C 37 175.865 175.865 175.572 0.293 25086 3726 1 11 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.084 -0.023 25086 3727 1 11 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.712 1.594 25086 3728 1 11 . 1 1 37 37 LEU H H 37 8.629 8.629 8.547 0.082 25086 3729 1 11 . 1 1 38 38 VAL N N 38 126.795 126.795 127.006 -0.211 25086 3730 1 11 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.390 -0.201 25086 3731 1 11 . 1 1 38 38 VAL C C 38 175.379 175.379 175.233 0.146 25086 3732 1 11 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.524 -0.044 25086 3733 1 11 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.754 -0.652 25086 3734 1 11 . 1 1 38 38 VAL H H 38 8.772 8.772 8.534 0.238 25086 3735 1 11 . 1 1 39 39 ASP N N 39 127.355 127.355 127.288 0.067 25086 3736 1 11 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.333 -0.112 25086 3737 1 11 . 1 1 39 39 ASP C C 39 175.944 175.944 176.554 -0.610 25086 3738 1 11 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.401 -0.177 25086 3739 1 11 . 1 1 39 39 ASP CB C 39 40.006 40.006 39.915 0.091 25086 3740 1 11 . 1 1 39 39 ASP H H 39 9.154 9.154 9.211 -0.057 25086 3741 1 11 . 1 1 40 40 GLY N N 40 103.124 103.124 102.590 0.534 25086 3742 1 11 . 1 1 40 40 GLY C C 40 172.842 172.842 173.469 -0.627 25086 3743 1 11 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.219 0.843 25086 3744 1 11 . 1 1 40 40 GLY H H 40 8.425 8.425 8.559 -0.134 25086 3745 1 11 . 1 1 41 41 LYS N N 41 117.155 117.155 118.883 -1.728 25086 3746 1 11 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.664 0.081 25086 3747 1 11 . 1 1 41 41 LYS C C 41 174.385 174.385 174.750 -0.365 25086 3748 1 11 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.047 0.443 25086 3749 1 11 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.249 -0.005 25086 3750 1 11 . 1 1 41 41 LYS H H 41 7.676 7.676 8.053 -0.377 25086 3751 1 11 . 1 1 42 42 LEU N N 42 119.938 119.938 122.473 -2.535 25086 3752 1 11 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.508 0.558 25086 3753 1 11 . 1 1 42 42 LEU C C 42 174.895 174.895 176.548 -1.653 25086 3754 1 11 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.104 -0.544 25086 3755 1 11 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.824 0.624 25086 3756 1 11 . 1 1 42 42 LEU H H 42 8.585 8.585 8.510 0.075 25086 3757 1 11 . 1 1 43 43 ILE N N 43 123.764 123.764 124.333 -0.569 25086 3758 1 11 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.367 0.558 25086 3759 1 11 . 1 1 43 43 ILE C C 43 175.893 175.893 174.656 1.237 25086 3760 1 11 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.076 0.211 25086 3761 1 11 . 1 1 43 43 ILE CB C 43 39.178 39.178 40.018 -0.840 25086 3762 1 11 . 1 1 43 43 ILE H H 43 9.075 9.075 8.634 0.441 25086 3763 1 11 . 1 1 44 44 ILE N N 44 126.815 126.815 126.435 0.380 25086 3764 1 11 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.474 0.482 25086 3765 1 11 . 1 1 44 44 ILE C C 44 174.230 174.230 175.649 -1.419 25086 3766 1 11 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.079 1.139 25086 3767 1 11 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.571 1.590 25086 3768 1 11 . 1 1 44 44 ILE H H 44 9.411 9.411 8.488 0.923 25086 3769 1 11 . 1 1 45 45 GLU N N 45 126.742 126.742 129.951 -3.209 25086 3770 1 11 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.890 0.284 25086 3771 1 11 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.593 -0.642 25086 3772 1 11 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.931 0.935 25086 3773 1 11 . 1 1 45 45 GLU H H 45 8.929 8.929 8.405 0.524 25086 3774 1 11 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.857 -0.305 25086 3775 1 11 . 1 1 46 46 PRO C C 46 175.856 175.856 176.131 -0.275 25086 3776 1 11 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.093 1.122 25086 3777 1 11 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.700 -0.262 25086 3778 1 11 . 1 1 47 47 VAL N N 47 123.846 123.846 121.104 2.742 25086 3779 1 11 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.298 -0.281 25086 3780 1 11 . 1 1 47 47 VAL C C 47 175.776 175.776 175.240 0.536 25086 3781 1 11 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.157 1.499 25086 3782 1 11 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.090 0.181 25086 3783 1 11 . 1 1 47 47 VAL H H 47 7.893 7.893 8.180 -0.287 25086 3784 1 11 . 1 1 48 48 ARG N N 48 126.674 126.674 127.553 -0.879 25086 3785 1 11 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.388 0.018 25086 3786 1 11 . 1 1 48 48 ARG C C 48 175.887 175.887 176.013 -0.126 25086 3787 1 11 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.182 -0.662 25086 3788 1 11 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.657 0.144 25086 3789 1 11 . 1 1 48 48 ARG H H 48 8.646 8.646 8.320 0.326 25086 3790 1 11 . 1 1 49 49 LYS N N 49 124.176 124.176 125.116 -0.940 25086 3791 1 11 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.372 -0.013 25086 3792 1 11 . 1 1 49 49 LYS C C 49 175.579 175.579 175.917 -0.338 25086 3793 1 11 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.343 -0.173 25086 3794 1 11 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.539 1.679 25086 3795 1 11 . 1 1 49 49 LYS H H 49 8.563 8.563 8.484 0.079 25086 3796 1 12 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.828 -0.221 25086 3797 1 12 . 1 1 -15 -15 HIS C C -15 174.805 174.805 175.514 -0.709 25086 3798 1 12 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.014 0.084 25086 3799 1 12 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.821 -0.441 25086 3800 1 12 . 1 1 -14 -14 LYS N N -14 122.750 122.750 120.910 1.840 25086 3801 1 12 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.392 -0.149 25086 3802 1 12 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.401 0.749 25086 3803 1 12 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.857 0.491 25086 3804 1 12 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.253 0.732 25086 3805 1 12 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.522 -0.168 25086 3806 1 12 . 1 1 -13 -13 VAL N N -13 121.546 121.546 121.730 -0.184 25086 3807 1 12 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.070 -0.092 25086 3808 1 12 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.675 -0.064 25086 3809 1 12 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.022 0.126 25086 3810 1 12 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.811 0.004 25086 3811 1 12 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.581 0.517 25086 3812 1 12 . 1 1 -12 -12 HIS N N -12 123.329 123.329 127.536 -4.207 25086 3813 1 12 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.421 -0.895 25086 3814 1 12 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 29.178 1.262 25086 3815 1 12 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.659 -0.221 25086 3816 1 12 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.643 -0.037 25086 3817 1 12 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.103 -0.389 25086 3818 1 12 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.496 0.485 25086 3819 1 12 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.574 -1.669 25086 3820 1 12 . 1 1 -6 -6 MET N N -6 122.431 122.431 118.570 3.861 25086 3821 1 12 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.721 -0.268 25086 3822 1 12 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.847 0.244 25086 3823 1 12 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.049 1.609 25086 3824 1 12 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.914 1.038 25086 3825 1 12 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.812 -0.292 25086 3826 1 12 . 1 1 -5 -5 SER N N -5 116.616 116.616 112.547 4.069 25086 3827 1 12 . 1 1 -5 -5 SER HA H -5 4.444 4.444 3.963 0.481 25086 3828 1 12 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.627 -0.165 25086 3829 1 12 . 1 1 -5 -5 SER CA C -5 58.379 58.379 59.162 -0.783 25086 3830 1 12 . 1 1 -5 -5 SER CB C -5 63.989 63.989 62.453 1.536 25086 3831 1 12 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.509 -0.099 25086 3832 1 12 . 1 1 -4 -4 ASP N N -4 122.320 122.320 118.588 3.732 25086 3833 1 12 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.275 0.327 25086 3834 1 12 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.769 -0.571 25086 3835 1 12 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 57.230 -2.450 25086 3836 1 12 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.771 0.346 25086 3837 1 12 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.656 -0.227 25086 3838 1 12 . 1 1 -3 -3 ASP N N -3 119.793 119.793 116.389 3.404 25086 3839 1 12 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.428 0.136 25086 3840 1 12 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.196 -0.950 25086 3841 1 12 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.883 -1.154 25086 3842 1 12 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.342 -0.148 25086 3843 1 12 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.048 0.158 25086 3844 1 12 . 1 1 -2 -2 ASP N N -2 120.270 120.270 120.079 0.191 25086 3845 1 12 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.337 0.230 25086 3846 1 12 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.342 -0.289 25086 3847 1 12 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 56.354 -1.616 25086 3848 1 12 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.377 -0.133 25086 3849 1 12 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.707 0.463 25086 3850 1 12 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.127 1.152 25086 3851 1 12 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.707 -0.117 25086 3852 1 12 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.614 0.692 25086 3853 1 12 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 53.783 0.632 25086 3854 1 12 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.218 -0.114 25086 3855 1 12 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.771 0.454 25086 3856 1 12 . 1 1 0 0 LYS N N 0 121.408 121.408 126.925 -5.517 25086 3857 1 12 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.607 -0.222 25086 3858 1 12 . 1 1 0 0 LYS C C 0 177.017 177.017 176.682 0.335 25086 3859 1 12 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.442 0.655 25086 3860 1 12 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.855 0.114 25086 3861 1 12 . 1 1 0 0 LYS H H 0 8.251 8.251 8.386 -0.135 25086 3862 1 12 . 1 1 1 1 GLY N N 1 109.054 109.054 111.362 -2.308 25086 3863 1 12 . 1 1 1 1 GLY C C 1 173.630 173.630 174.191 -0.561 25086 3864 1 12 . 1 1 1 1 GLY CA C 1 45.285 45.285 45.645 -0.360 25086 3865 1 12 . 1 1 1 1 GLY H H 1 8.370 8.370 8.435 -0.065 25086 3866 1 12 . 1 1 2 2 ILE N N 2 120.862 120.862 122.425 -1.563 25086 3867 1 12 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.264 0.033 25086 3868 1 12 . 1 1 2 2 ILE C C 2 175.993 175.993 174.964 1.029 25086 3869 1 12 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.741 0.091 25086 3870 1 12 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.568 1.165 25086 3871 1 12 . 1 1 2 2 ILE H H 2 8.579 8.579 7.805 0.774 25086 3872 1 12 . 1 1 3 3 HIS N N 3 124.483 124.483 125.298 -0.815 25086 3873 1 12 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.911 0.323 25086 3874 1 12 . 1 1 3 3 HIS C C 3 174.751 174.751 174.447 0.304 25086 3875 1 12 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.468 -0.183 25086 3876 1 12 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.139 -0.062 25086 3877 1 12 . 1 1 3 3 HIS H H 3 8.920 8.920 8.469 0.451 25086 3878 1 12 . 1 1 4 4 SER N N 4 117.417 117.417 119.468 -2.051 25086 3879 1 12 . 1 1 4 4 SER HA H 4 4.712 4.712 4.727 -0.015 25086 3880 1 12 . 1 1 4 4 SER C C 4 174.112 174.112 173.526 0.586 25086 3881 1 12 . 1 1 4 4 SER CA C 4 56.102 56.102 57.146 -1.044 25086 3882 1 12 . 1 1 4 4 SER CB C 4 64.679 64.679 65.116 -0.437 25086 3883 1 12 . 1 1 4 4 SER H H 4 8.925 8.925 8.607 0.318 25086 3884 1 12 . 1 1 5 5 SER N N 5 114.372 114.372 115.935 -1.563 25086 3885 1 12 . 1 1 5 5 SER HA H 5 5.390 5.390 4.685 0.705 25086 3886 1 12 . 1 1 5 5 SER C C 5 173.075 173.075 173.193 -0.118 25086 3887 1 12 . 1 1 5 5 SER CA C 5 57.153 57.153 57.773 -0.620 25086 3888 1 12 . 1 1 5 5 SER CB C 5 65.752 65.752 65.475 0.277 25086 3889 1 12 . 1 1 5 5 SER H H 5 8.623 8.623 8.307 0.316 25086 3890 1 12 . 1 1 6 6 VAL N N 6 121.311 121.311 122.319 -1.008 25086 3891 1 12 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.104 0.065 25086 3892 1 12 . 1 1 6 6 VAL C C 6 175.872 175.872 175.944 -0.072 25086 3893 1 12 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.653 0.093 25086 3894 1 12 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.050 -0.553 25086 3895 1 12 . 1 1 6 6 VAL H H 6 8.384 8.384 8.508 -0.124 25086 3896 1 12 . 1 1 7 7 LYS N N 7 128.341 128.341 129.291 -0.950 25086 3897 1 12 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.765 0.200 25086 3898 1 12 . 1 1 7 7 LYS C C 7 174.655 174.655 174.759 -0.104 25086 3899 1 12 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.597 0.012 25086 3900 1 12 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.154 1.419 25086 3901 1 12 . 1 1 7 7 LYS H H 7 9.042 9.042 8.713 0.329 25086 3902 1 12 . 1 1 8 8 ARG N N 8 120.527 120.527 121.337 -0.810 25086 3903 1 12 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.728 -0.364 25086 3904 1 12 . 1 1 8 8 ARG C C 8 174.148 174.148 175.518 -1.370 25086 3905 1 12 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.815 0.361 25086 3906 1 12 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.759 -0.253 25086 3907 1 12 . 1 1 8 8 ARG H H 8 8.791 8.791 8.653 0.138 25086 3908 1 12 . 1 1 9 9 TRP N N 9 131.164 131.164 130.486 0.678 25086 3909 1 12 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.722 -0.070 25086 3910 1 12 . 1 1 9 9 TRP C C 9 176.351 176.351 175.878 0.473 25086 3911 1 12 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.883 -1.846 25086 3912 1 12 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.461 -1.395 25086 3913 1 12 . 1 1 9 9 TRP H H 9 8.994 8.994 9.189 -0.195 25086 3914 1 12 . 1 1 10 10 GLY N N 10 117.757 117.757 118.211 -0.454 25086 3915 1 12 . 1 1 10 10 GLY C C 10 173.798 173.798 173.592 0.206 25086 3916 1 12 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.634 0.690 25086 3917 1 12 . 1 1 10 10 GLY H H 10 9.134 9.134 8.274 0.860 25086 3918 1 12 . 1 1 11 11 ASN N N 11 125.396 125.396 121.445 3.951 25086 3919 1 12 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.781 -0.012 25086 3920 1 12 . 1 1 11 11 ASN C C 11 175.190 175.190 174.374 0.816 25086 3921 1 12 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.245 0.497 25086 3922 1 12 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.230 1.080 25086 3923 1 12 . 1 1 11 11 ASN H H 11 8.667 8.667 8.432 0.235 25086 3924 1 12 . 1 1 12 12 SER N N 12 115.939 115.939 117.317 -1.378 25086 3925 1 12 . 1 1 12 12 SER HA H 12 5.038 5.038 4.891 0.147 25086 3926 1 12 . 1 1 12 12 SER CA C 12 56.293 56.293 55.036 1.257 25086 3927 1 12 . 1 1 12 12 SER CB C 12 65.254 65.254 65.041 0.213 25086 3928 1 12 . 1 1 12 12 SER H H 12 7.798 7.798 7.820 -0.022 25086 3929 1 12 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.845 0.018 25086 3930 1 12 . 1 1 13 13 PRO C C 13 177.322 177.322 175.894 1.428 25086 3931 1 12 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.893 -0.764 25086 3932 1 12 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.680 0.938 25086 3933 1 12 . 1 1 14 14 ALA N N 14 125.096 125.096 128.545 -3.449 25086 3934 1 12 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.944 0.345 25086 3935 1 12 . 1 1 14 14 ALA C C 14 174.888 174.888 175.395 -0.507 25086 3936 1 12 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.006 0.764 25086 3937 1 12 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.890 1.381 25086 3938 1 12 . 1 1 14 14 ALA H H 14 9.419 9.419 9.166 0.253 25086 3939 1 12 . 1 1 15 15 VAL N N 15 116.316 116.316 123.205 -6.889 25086 3940 1 12 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.275 0.466 25086 3941 1 12 . 1 1 15 15 VAL C C 15 175.375 175.375 175.939 -0.564 25086 3942 1 12 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.054 -1.222 25086 3943 1 12 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.328 2.213 25086 3944 1 12 . 1 1 15 15 VAL H H 15 8.491 8.491 8.555 -0.064 25086 3945 1 12 . 1 1 16 16 ARG N N 16 125.595 125.595 126.317 -0.722 25086 3946 1 12 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.340 0.393 25086 3947 1 12 . 1 1 16 16 ARG C C 16 176.071 176.071 175.253 0.818 25086 3948 1 12 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.913 0.291 25086 3949 1 12 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.423 0.070 25086 3950 1 12 . 1 1 16 16 ARG H H 16 8.812 8.812 8.517 0.295 25086 3951 1 12 . 1 1 17 17 ILE N N 17 123.572 123.572 127.135 -3.563 25086 3952 1 12 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.368 0.027 25086 3953 1 12 . 1 1 17 17 ILE CA C 17 56.591 56.591 56.914 -0.323 25086 3954 1 12 . 1 1 17 17 ILE CB C 17 38.781 38.781 37.988 0.793 25086 3955 1 12 . 1 1 17 17 ILE H H 17 8.020 8.020 8.344 -0.324 25086 3956 1 12 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.457 -0.066 25086 3957 1 12 . 1 1 18 18 PRO C C 18 177.860 177.860 177.589 0.271 25086 3958 1 12 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.672 0.196 25086 3959 1 12 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.314 0.522 25086 3960 1 12 . 1 1 19 19 ALA N N 19 128.602 128.602 128.517 0.085 25086 3961 1 12 . 1 1 19 19 ALA HA H 19 3.938 3.938 3.981 -0.043 25086 3962 1 12 . 1 1 19 19 ALA C C 19 180.059 180.059 179.773 0.286 25086 3963 1 12 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.110 0.765 25086 3964 1 12 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.201 0.099 25086 3965 1 12 . 1 1 19 19 ALA H H 19 8.975 8.975 8.760 0.215 25086 3966 1 12 . 1 1 20 20 THR N N 20 108.352 108.352 115.385 -7.033 25086 3967 1 12 . 1 1 20 20 THR HA H 20 4.041 4.041 3.996 0.045 25086 3968 1 12 . 1 1 20 20 THR C C 20 177.381 177.381 176.456 0.925 25086 3969 1 12 . 1 1 20 20 THR CA C 20 64.688 64.688 66.101 -1.413 25086 3970 1 12 . 1 1 20 20 THR CB C 20 68.155 68.155 68.388 -0.233 25086 3971 1 12 . 1 1 20 20 THR H H 20 8.263 8.263 8.186 0.077 25086 3972 1 12 . 1 1 21 21 LEU N N 21 121.199 121.199 121.617 -0.418 25086 3973 1 12 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.155 0.071 25086 3974 1 12 . 1 1 21 21 LEU C C 21 178.002 178.002 178.761 -0.759 25086 3975 1 12 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.410 -0.467 25086 3976 1 12 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.236 -0.204 25086 3977 1 12 . 1 1 21 21 LEU H H 21 7.040 7.040 7.691 -0.651 25086 3978 1 12 . 1 1 22 22 MET N N 22 117.150 117.150 118.159 -1.009 25086 3979 1 12 . 1 1 22 22 MET HA H 22 4.019 4.019 3.936 0.083 25086 3980 1 12 . 1 1 22 22 MET C C 22 178.951 178.951 178.823 0.128 25086 3981 1 12 . 1 1 22 22 MET CA C 22 57.881 57.881 58.436 -0.555 25086 3982 1 12 . 1 1 22 22 MET CB C 22 30.803 30.803 31.109 -0.306 25086 3983 1 12 . 1 1 22 22 MET H H 22 7.415 7.415 8.190 -0.775 25086 3984 1 12 . 1 1 23 23 GLN N N 23 116.690 116.690 117.387 -0.697 25086 3985 1 12 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.030 0.130 25086 3986 1 12 . 1 1 23 23 GLN C C 23 179.589 179.589 178.841 0.748 25086 3987 1 12 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.596 -0.081 25086 3988 1 12 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.451 -0.163 25086 3989 1 12 . 1 1 23 23 GLN H H 23 7.953 7.953 8.110 -0.157 25086 3990 1 12 . 1 1 24 24 ALA N N 24 122.104 122.104 121.570 0.534 25086 3991 1 12 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.206 -0.098 25086 3992 1 12 . 1 1 24 24 ALA C C 24 179.010 179.010 178.499 0.511 25086 3993 1 12 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.320 0.425 25086 3994 1 12 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.863 -0.144 25086 3995 1 12 . 1 1 24 24 ALA H H 24 7.617 7.617 7.550 0.067 25086 3996 1 12 . 1 1 25 25 LEU N N 25 115.630 115.630 117.112 -1.482 25086 3997 1 12 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.421 -0.115 25086 3998 1 12 . 1 1 25 25 LEU C C 25 175.862 175.862 176.273 -0.411 25086 3999 1 12 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.583 -0.574 25086 4000 1 12 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.515 1.102 25086 4001 1 12 . 1 1 25 25 LEU H H 25 7.381 7.381 8.191 -0.810 25086 4002 1 12 . 1 1 26 26 ASN N N 26 118.019 118.019 114.026 3.993 25086 4003 1 12 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.321 -0.032 25086 4004 1 12 . 1 1 26 26 ASN C C 26 173.478 173.478 174.385 -0.907 25086 4005 1 12 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.589 -0.396 25086 4006 1 12 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.895 0.463 25086 4007 1 12 . 1 1 26 26 ASN H H 26 7.966 7.966 7.693 0.273 25086 4008 1 12 . 1 1 27 27 LEU N N 27 118.539 118.539 115.352 3.187 25086 4009 1 12 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.766 -0.183 25086 4010 1 12 . 1 1 27 27 LEU C C 27 174.995 174.995 174.841 0.154 25086 4011 1 12 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.800 -0.060 25086 4012 1 12 . 1 1 27 27 LEU CB C 27 46.165 46.165 43.841 2.324 25086 4013 1 12 . 1 1 27 27 LEU H H 27 8.023 8.023 7.759 0.264 25086 4014 1 12 . 1 1 28 28 ASN N N 28 121.416 121.416 117.664 3.752 25086 4015 1 12 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.908 -0.028 25086 4016 1 12 . 1 1 28 28 ASN C C 28 174.980 174.980 174.452 0.528 25086 4017 1 12 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.497 -0.153 25086 4018 1 12 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.271 1.282 25086 4019 1 12 . 1 1 28 28 ASN H H 28 8.889 8.889 8.336 0.553 25086 4020 1 12 . 1 1 29 29 ILE N N 29 120.022 120.022 120.832 -0.810 25086 4021 1 12 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.111 -0.784 25086 4022 1 12 . 1 1 29 29 ILE C C 29 176.499 176.499 177.071 -0.572 25086 4023 1 12 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.812 0.432 25086 4024 1 12 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.923 -0.658 25086 4025 1 12 . 1 1 29 29 ILE H H 29 8.396 8.396 8.390 0.006 25086 4026 1 12 . 1 1 30 30 ASP N N 30 121.326 121.326 123.431 -2.105 25086 4027 1 12 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.407 -0.006 25086 4028 1 12 . 1 1 30 30 ASP C C 30 175.994 175.994 175.002 0.992 25086 4029 1 12 . 1 1 30 30 ASP CA C 30 57.943 57.943 54.961 2.982 25086 4030 1 12 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.441 -1.625 25086 4031 1 12 . 1 1 30 30 ASP H H 30 9.114 9.114 8.777 0.337 25086 4032 1 12 . 1 1 31 31 ASP N N 31 121.764 121.764 120.066 1.698 25086 4033 1 12 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.640 0.053 25086 4034 1 12 . 1 1 31 31 ASP C C 31 175.904 175.904 175.791 0.113 25086 4035 1 12 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.178 1.113 25086 4036 1 12 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.184 -1.008 25086 4037 1 12 . 1 1 31 31 ASP H H 31 8.056 8.056 7.892 0.164 25086 4038 1 12 . 1 1 32 32 GLU N N 32 120.895 120.895 124.380 -3.485 25086 4039 1 12 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.262 0.434 25086 4040 1 12 . 1 1 32 32 GLU C C 32 176.717 176.717 174.836 1.881 25086 4041 1 12 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.590 -0.181 25086 4042 1 12 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.298 1.006 25086 4043 1 12 . 1 1 32 32 GLU H H 32 8.683 8.683 8.548 0.135 25086 4044 1 12 . 1 1 33 33 VAL N N 33 114.605 114.605 118.947 -4.342 25086 4045 1 12 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.754 0.252 25086 4046 1 12 . 1 1 33 33 VAL C C 33 173.447 173.447 174.699 -1.252 25086 4047 1 12 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.182 -0.754 25086 4048 1 12 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.346 0.418 25086 4049 1 12 . 1 1 33 33 VAL H H 33 8.423 8.423 8.070 0.353 25086 4050 1 12 . 1 1 34 34 LYS N N 34 122.276 122.276 124.815 -2.539 25086 4051 1 12 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.588 0.179 25086 4052 1 12 . 1 1 34 34 LYS C C 34 175.062 175.062 175.489 -0.427 25086 4053 1 12 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.290 -0.638 25086 4054 1 12 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.889 0.968 25086 4055 1 12 . 1 1 34 34 LYS H H 34 8.989 8.989 8.830 0.159 25086 4056 1 12 . 1 1 35 35 ILE N N 35 124.021 124.021 127.480 -3.459 25086 4057 1 12 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.976 0.078 25086 4058 1 12 . 1 1 35 35 ILE C C 35 174.111 174.111 175.557 -1.446 25086 4059 1 12 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.039 0.199 25086 4060 1 12 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.116 1.873 25086 4061 1 12 . 1 1 35 35 ILE H H 35 8.717 8.717 8.724 -0.007 25086 4062 1 12 . 1 1 36 36 ASP N N 36 126.126 126.126 128.817 -2.691 25086 4063 1 12 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.970 0.084 25086 4064 1 12 . 1 1 36 36 ASP C C 36 173.496 173.496 174.558 -1.062 25086 4065 1 12 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.982 -0.739 25086 4066 1 12 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.899 1.381 25086 4067 1 12 . 1 1 36 36 ASP H H 36 8.948 8.948 8.823 0.125 25086 4068 1 12 . 1 1 37 37 LEU N N 37 123.664 123.664 124.747 -1.083 25086 4069 1 12 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.141 0.060 25086 4070 1 12 . 1 1 37 37 LEU C C 37 175.865 175.865 176.155 -0.290 25086 4071 1 12 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.969 0.092 25086 4072 1 12 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.569 1.737 25086 4073 1 12 . 1 1 37 37 LEU H H 37 8.629 8.629 8.635 -0.006 25086 4074 1 12 . 1 1 38 38 VAL N N 38 126.795 126.795 126.811 -0.016 25086 4075 1 12 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.316 -0.127 25086 4076 1 12 . 1 1 38 38 VAL C C 38 175.379 175.379 175.235 0.144 25086 4077 1 12 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.737 -0.257 25086 4078 1 12 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.877 0.225 25086 4079 1 12 . 1 1 38 38 VAL H H 38 8.772 8.772 8.908 -0.136 25086 4080 1 12 . 1 1 39 39 ASP N N 39 127.355 127.355 126.647 0.708 25086 4081 1 12 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.301 -0.080 25086 4082 1 12 . 1 1 39 39 ASP C C 39 175.944 175.944 176.858 -0.914 25086 4083 1 12 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.664 -0.440 25086 4084 1 12 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.595 -0.589 25086 4085 1 12 . 1 1 39 39 ASP H H 39 9.154 9.154 9.240 -0.086 25086 4086 1 12 . 1 1 40 40 GLY N N 40 103.124 103.124 102.553 0.571 25086 4087 1 12 . 1 1 40 40 GLY C C 40 172.842 172.842 173.683 -0.841 25086 4088 1 12 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.079 0.983 25086 4089 1 12 . 1 1 40 40 GLY H H 40 8.425 8.425 8.351 0.074 25086 4090 1 12 . 1 1 41 41 LYS N N 41 117.155 117.155 119.412 -2.257 25086 4091 1 12 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.718 0.027 25086 4092 1 12 . 1 1 41 41 LYS C C 41 174.385 174.385 174.706 -0.321 25086 4093 1 12 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.546 0.944 25086 4094 1 12 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.109 0.135 25086 4095 1 12 . 1 1 41 41 LYS H H 41 7.676 7.676 8.020 -0.344 25086 4096 1 12 . 1 1 42 42 LEU N N 42 119.938 119.938 122.102 -2.164 25086 4097 1 12 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.471 0.595 25086 4098 1 12 . 1 1 42 42 LEU C C 42 174.895 174.895 176.588 -1.693 25086 4099 1 12 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.324 -0.764 25086 4100 1 12 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.310 1.138 25086 4101 1 12 . 1 1 42 42 LEU H H 42 8.585 8.585 8.591 -0.006 25086 4102 1 12 . 1 1 43 43 ILE N N 43 123.764 123.764 127.362 -3.598 25086 4103 1 12 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.237 0.688 25086 4104 1 12 . 1 1 43 43 ILE C C 43 175.893 175.893 174.541 1.352 25086 4105 1 12 . 1 1 43 43 ILE CA C 43 59.287 59.287 60.096 -0.809 25086 4106 1 12 . 1 1 43 43 ILE CB C 43 39.178 39.178 39.093 0.085 25086 4107 1 12 . 1 1 43 43 ILE H H 43 9.075 9.075 9.070 0.005 25086 4108 1 12 . 1 1 44 44 ILE N N 44 126.815 126.815 130.204 -3.389 25086 4109 1 12 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.644 0.312 25086 4110 1 12 . 1 1 44 44 ILE C C 44 174.230 174.230 175.403 -1.173 25086 4111 1 12 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.736 0.482 25086 4112 1 12 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.877 0.284 25086 4113 1 12 . 1 1 44 44 ILE H H 44 9.411 9.411 8.548 0.863 25086 4114 1 12 . 1 1 45 45 GLU N N 45 126.742 126.742 129.826 -3.084 25086 4115 1 12 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.910 0.264 25086 4116 1 12 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.312 -0.361 25086 4117 1 12 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.420 1.446 25086 4118 1 12 . 1 1 45 45 GLU H H 45 8.929 8.929 9.110 -0.181 25086 4119 1 12 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.383 0.169 25086 4120 1 12 . 1 1 46 46 PRO C C 46 175.856 175.856 176.260 -0.404 25086 4121 1 12 . 1 1 46 46 PRO CA C 46 63.215 63.215 63.060 0.155 25086 4122 1 12 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.300 0.138 25086 4123 1 12 . 1 1 47 47 VAL N N 47 123.846 123.846 122.956 0.890 25086 4124 1 12 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.215 -0.198 25086 4125 1 12 . 1 1 47 47 VAL C C 47 175.776 175.776 175.340 0.436 25086 4126 1 12 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.372 1.284 25086 4127 1 12 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.438 -0.167 25086 4128 1 12 . 1 1 47 47 VAL H H 47 7.893 7.893 8.284 -0.391 25086 4129 1 12 . 1 1 48 48 ARG N N 48 126.674 126.674 128.623 -1.949 25086 4130 1 12 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.408 -0.002 25086 4131 1 12 . 1 1 48 48 ARG C C 48 175.887 175.887 176.055 -0.168 25086 4132 1 12 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.096 -0.576 25086 4133 1 12 . 1 1 48 48 ARG CB C 48 30.801 30.801 31.063 -0.262 25086 4134 1 12 . 1 1 48 48 ARG H H 48 8.646 8.646 8.611 0.035 25086 4135 1 12 . 1 1 49 49 LYS N N 49 124.176 124.176 123.803 0.373 25086 4136 1 12 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.461 -0.102 25086 4137 1 12 . 1 1 49 49 LYS C C 49 175.579 175.579 176.225 -0.646 25086 4138 1 12 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.031 0.139 25086 4139 1 12 . 1 1 49 49 LYS CB C 49 33.218 33.218 32.008 1.210 25086 4140 1 12 . 1 1 49 49 LYS H H 49 8.563 8.563 8.467 0.096 25086 4141 1 13 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.697 -0.090 25086 4142 1 13 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.405 0.400 25086 4143 1 13 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.657 -0.559 25086 4144 1 13 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 31.269 -0.889 25086 4145 1 13 . 1 1 -14 -14 LYS N N -14 122.750 122.750 127.556 -4.806 25086 4146 1 13 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.335 -0.092 25086 4147 1 13 . 1 1 -14 -14 LYS C C -14 176.150 176.150 176.490 -0.340 25086 4148 1 13 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.337 1.011 25086 4149 1 13 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 31.535 1.450 25086 4150 1 13 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.280 0.074 25086 4151 1 13 . 1 1 -13 -13 VAL N N -13 121.546 121.546 121.671 -0.125 25086 4152 1 13 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.268 -0.290 25086 4153 1 13 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.297 -0.686 25086 4154 1 13 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.248 -0.100 25086 4155 1 13 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.628 0.187 25086 4156 1 13 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.978 0.120 25086 4157 1 13 . 1 1 -12 -12 HIS N N -12 123.329 123.329 127.452 -4.123 25086 4158 1 13 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.168 -0.642 25086 4159 1 13 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 28.541 1.899 25086 4160 1 13 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.754 -0.316 25086 4161 1 13 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.595 0.011 25086 4162 1 13 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.876 -0.162 25086 4163 1 13 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 54.818 1.163 25086 4164 1 13 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.437 -1.532 25086 4165 1 13 . 1 1 -6 -6 MET N N -6 122.431 122.431 126.000 -3.569 25086 4166 1 13 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.324 0.129 25086 4167 1 13 . 1 1 -6 -6 MET C C -6 176.091 176.091 176.970 -0.879 25086 4168 1 13 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.407 0.251 25086 4169 1 13 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.453 1.499 25086 4170 1 13 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.734 -0.214 25086 4171 1 13 . 1 1 -5 -5 SER N N -5 116.616 116.616 117.981 -1.365 25086 4172 1 13 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.232 0.212 25086 4173 1 13 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.367 -0.905 25086 4174 1 13 . 1 1 -5 -5 SER CA C -5 58.379 58.379 60.929 -2.550 25086 4175 1 13 . 1 1 -5 -5 SER CB C -5 63.989 63.989 62.911 1.077 25086 4176 1 13 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.359 0.051 25086 4177 1 13 . 1 1 -4 -4 ASP N N -4 122.320 122.320 118.432 3.888 25086 4178 1 13 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.374 0.228 25086 4179 1 13 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.751 -0.553 25086 4180 1 13 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.257 -1.477 25086 4181 1 13 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.152 0.965 25086 4182 1 13 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.613 -0.184 25086 4183 1 13 . 1 1 -3 -3 ASP N N -3 119.793 119.793 119.616 0.177 25086 4184 1 13 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.555 0.009 25086 4185 1 13 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.109 -0.863 25086 4186 1 13 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.070 -1.341 25086 4187 1 13 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.794 -0.600 25086 4188 1 13 . 1 1 -3 -3 ASP H H -3 8.206 8.206 7.583 0.623 25086 4189 1 13 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.442 1.828 25086 4190 1 13 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.523 0.044 25086 4191 1 13 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.130 -0.077 25086 4192 1 13 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 54.752 -0.014 25086 4193 1 13 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.516 -0.272 25086 4194 1 13 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.902 0.268 25086 4195 1 13 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.493 -0.214 25086 4196 1 13 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.541 0.049 25086 4197 1 13 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.046 0.260 25086 4198 1 13 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.276 0.139 25086 4199 1 13 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.082 1.022 25086 4200 1 13 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.916 0.309 25086 4201 1 13 . 1 1 0 0 LYS N N 0 121.408 121.408 123.208 -1.800 25086 4202 1 13 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.456 -0.071 25086 4203 1 13 . 1 1 0 0 LYS C C 0 177.017 177.017 176.817 0.200 25086 4204 1 13 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.813 0.284 25086 4205 1 13 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.227 -0.258 25086 4206 1 13 . 1 1 0 0 LYS H H 0 8.251 8.251 8.119 0.132 25086 4207 1 13 . 1 1 1 1 GLY N N 1 109.054 109.054 110.958 -1.904 25086 4208 1 13 . 1 1 1 1 GLY C C 1 173.630 173.630 174.291 -0.661 25086 4209 1 13 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.637 0.648 25086 4210 1 13 . 1 1 1 1 GLY H H 1 8.370 8.370 8.001 0.369 25086 4211 1 13 . 1 1 2 2 ILE N N 2 120.862 120.862 122.974 -2.112 25086 4212 1 13 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.768 0.529 25086 4213 1 13 . 1 1 2 2 ILE C C 2 175.993 175.993 176.497 -0.504 25086 4214 1 13 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.920 -1.088 25086 4215 1 13 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.430 1.303 25086 4216 1 13 . 1 1 2 2 ILE H H 2 8.579 8.579 7.493 1.086 25086 4217 1 13 . 1 1 3 3 HIS N N 3 124.483 124.483 126.319 -1.836 25086 4218 1 13 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.600 0.634 25086 4219 1 13 . 1 1 3 3 HIS C C 3 174.751 174.751 174.487 0.264 25086 4220 1 13 . 1 1 3 3 HIS CA C 3 55.285 55.285 57.214 -1.929 25086 4221 1 13 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.508 -0.432 25086 4222 1 13 . 1 1 3 3 HIS H H 3 8.920 8.920 8.597 0.323 25086 4223 1 13 . 1 1 4 4 SER N N 4 117.417 117.417 118.838 -1.421 25086 4224 1 13 . 1 1 4 4 SER HA H 4 4.712 4.712 4.910 -0.198 25086 4225 1 13 . 1 1 4 4 SER C C 4 174.112 174.112 173.243 0.869 25086 4226 1 13 . 1 1 4 4 SER CA C 4 56.102 56.102 57.779 -1.677 25086 4227 1 13 . 1 1 4 4 SER CB C 4 64.679 64.679 64.846 -0.167 25086 4228 1 13 . 1 1 4 4 SER H H 4 8.925 8.925 8.684 0.241 25086 4229 1 13 . 1 1 5 5 SER N N 5 114.372 114.372 115.989 -1.617 25086 4230 1 13 . 1 1 5 5 SER HA H 5 5.390 5.390 4.749 0.641 25086 4231 1 13 . 1 1 5 5 SER C C 5 173.075 173.075 172.751 0.324 25086 4232 1 13 . 1 1 5 5 SER CA C 5 57.153 57.153 58.035 -0.882 25086 4233 1 13 . 1 1 5 5 SER CB C 5 65.752 65.752 64.944 0.808 25086 4234 1 13 . 1 1 5 5 SER H H 5 8.623 8.623 8.003 0.620 25086 4235 1 13 . 1 1 6 6 VAL N N 6 121.311 121.311 122.598 -1.287 25086 4236 1 13 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.033 0.136 25086 4237 1 13 . 1 1 6 6 VAL C C 6 175.872 175.872 175.933 -0.061 25086 4238 1 13 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.809 -0.063 25086 4239 1 13 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.735 -0.238 25086 4240 1 13 . 1 1 6 6 VAL H H 6 8.384 8.384 8.535 -0.151 25086 4241 1 13 . 1 1 7 7 LYS N N 7 128.341 128.341 129.170 -0.829 25086 4242 1 13 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.758 0.207 25086 4243 1 13 . 1 1 7 7 LYS C C 7 174.655 174.655 174.923 -0.268 25086 4244 1 13 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.871 -0.262 25086 4245 1 13 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.151 1.423 25086 4246 1 13 . 1 1 7 7 LYS H H 7 9.042 9.042 8.680 0.362 25086 4247 1 13 . 1 1 8 8 ARG N N 8 120.527 120.527 121.644 -1.117 25086 4248 1 13 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.578 -0.214 25086 4249 1 13 . 1 1 8 8 ARG C C 8 174.148 174.148 175.507 -1.359 25086 4250 1 13 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.029 0.147 25086 4251 1 13 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.095 0.411 25086 4252 1 13 . 1 1 8 8 ARG H H 8 8.791 8.791 8.697 0.094 25086 4253 1 13 . 1 1 9 9 TRP N N 9 131.164 131.164 130.715 0.449 25086 4254 1 13 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.664 -0.012 25086 4255 1 13 . 1 1 9 9 TRP C C 9 176.351 176.351 175.999 0.352 25086 4256 1 13 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.917 -1.880 25086 4257 1 13 . 1 1 9 9 TRP CB C 9 28.066 28.066 28.875 -0.809 25086 4258 1 13 . 1 1 9 9 TRP H H 9 8.994 8.994 9.027 -0.033 25086 4259 1 13 . 1 1 10 10 GLY N N 10 117.757 117.757 118.366 -0.609 25086 4260 1 13 . 1 1 10 10 GLY C C 10 173.798 173.798 174.039 -0.241 25086 4261 1 13 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.311 1.013 25086 4262 1 13 . 1 1 10 10 GLY H H 10 9.134 9.134 8.072 1.062 25086 4263 1 13 . 1 1 11 11 ASN N N 11 125.396 125.396 123.946 1.450 25086 4264 1 13 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.987 -0.218 25086 4265 1 13 . 1 1 11 11 ASN C C 11 175.190 175.190 174.179 1.011 25086 4266 1 13 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.417 0.325 25086 4267 1 13 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.849 0.461 25086 4268 1 13 . 1 1 11 11 ASN H H 11 8.667 8.667 8.588 0.079 25086 4269 1 13 . 1 1 12 12 SER N N 12 115.939 115.939 116.641 -0.702 25086 4270 1 13 . 1 1 12 12 SER HA H 12 5.038 5.038 4.921 0.117 25086 4271 1 13 . 1 1 12 12 SER CA C 12 56.293 56.293 55.859 0.434 25086 4272 1 13 . 1 1 12 12 SER CB C 12 65.254 65.254 65.132 0.122 25086 4273 1 13 . 1 1 12 12 SER H H 12 7.798 7.798 7.626 0.172 25086 4274 1 13 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.906 -0.043 25086 4275 1 13 . 1 1 13 13 PRO C C 13 177.322 177.322 176.066 1.256 25086 4276 1 13 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.688 -0.559 25086 4277 1 13 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.906 0.712 25086 4278 1 13 . 1 1 14 14 ALA N N 14 125.096 125.096 128.813 -3.717 25086 4279 1 13 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.859 0.430 25086 4280 1 13 . 1 1 14 14 ALA C C 14 174.888 174.888 175.349 -0.461 25086 4281 1 13 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.415 0.355 25086 4282 1 13 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.752 1.519 25086 4283 1 13 . 1 1 14 14 ALA H H 14 9.419 9.419 9.158 0.261 25086 4284 1 13 . 1 1 15 15 VAL N N 15 116.316 116.316 121.745 -5.429 25086 4285 1 13 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.400 0.341 25086 4286 1 13 . 1 1 15 15 VAL C C 15 175.375 175.375 176.211 -0.836 25086 4287 1 13 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.007 -1.175 25086 4288 1 13 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.473 2.068 25086 4289 1 13 . 1 1 15 15 VAL H H 15 8.491 8.491 8.535 -0.044 25086 4290 1 13 . 1 1 16 16 ARG N N 16 125.595 125.595 126.301 -0.706 25086 4291 1 13 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.311 0.422 25086 4292 1 13 . 1 1 16 16 ARG C C 16 176.071 176.071 175.310 0.761 25086 4293 1 13 . 1 1 16 16 ARG CA C 16 56.204 56.204 56.176 0.028 25086 4294 1 13 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.805 -0.312 25086 4295 1 13 . 1 1 16 16 ARG H H 16 8.812 8.812 8.682 0.130 25086 4296 1 13 . 1 1 17 17 ILE N N 17 123.572 123.572 126.738 -3.166 25086 4297 1 13 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.355 0.040 25086 4298 1 13 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.977 -1.386 25086 4299 1 13 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.840 -0.059 25086 4300 1 13 . 1 1 17 17 ILE H H 17 8.020 8.020 8.313 -0.293 25086 4301 1 13 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.515 -0.124 25086 4302 1 13 . 1 1 18 18 PRO C C 18 177.860 177.860 177.562 0.298 25086 4303 1 13 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.423 0.445 25086 4304 1 13 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.381 0.455 25086 4305 1 13 . 1 1 19 19 ALA N N 19 128.602 128.602 126.779 1.823 25086 4306 1 13 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.029 -0.091 25086 4307 1 13 . 1 1 19 19 ALA C C 19 180.059 180.059 179.551 0.508 25086 4308 1 13 . 1 1 19 19 ALA CA C 19 55.875 55.875 54.901 0.973 25086 4309 1 13 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.092 0.208 25086 4310 1 13 . 1 1 19 19 ALA H H 19 8.975 8.975 8.732 0.243 25086 4311 1 13 . 1 1 20 20 THR N N 20 108.352 108.352 114.911 -6.559 25086 4312 1 13 . 1 1 20 20 THR HA H 20 4.041 4.041 4.050 -0.009 25086 4313 1 13 . 1 1 20 20 THR C C 20 177.381 177.381 176.398 0.983 25086 4314 1 13 . 1 1 20 20 THR CA C 20 64.688 64.688 65.990 -1.302 25086 4315 1 13 . 1 1 20 20 THR CB C 20 68.155 68.155 68.243 -0.088 25086 4316 1 13 . 1 1 20 20 THR H H 20 8.263 8.263 8.250 0.013 25086 4317 1 13 . 1 1 21 21 LEU N N 21 121.199 121.199 121.466 -0.267 25086 4318 1 13 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.184 0.042 25086 4319 1 13 . 1 1 21 21 LEU C C 21 178.002 178.002 178.717 -0.715 25086 4320 1 13 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.065 -0.122 25086 4321 1 13 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.131 -0.099 25086 4322 1 13 . 1 1 21 21 LEU H H 21 7.040 7.040 7.708 -0.668 25086 4323 1 13 . 1 1 22 22 MET N N 22 117.150 117.150 118.137 -0.987 25086 4324 1 13 . 1 1 22 22 MET HA H 22 4.019 4.019 3.875 0.144 25086 4325 1 13 . 1 1 22 22 MET C C 22 178.951 178.951 178.550 0.401 25086 4326 1 13 . 1 1 22 22 MET CA C 22 57.881 57.881 59.974 -2.093 25086 4327 1 13 . 1 1 22 22 MET CB C 22 30.803 30.803 32.130 -1.327 25086 4328 1 13 . 1 1 22 22 MET H H 22 7.415 7.415 7.915 -0.500 25086 4329 1 13 . 1 1 23 23 GLN N N 23 116.690 116.690 116.628 0.062 25086 4330 1 13 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.111 0.049 25086 4331 1 13 . 1 1 23 23 GLN C C 23 179.589 179.589 178.199 1.390 25086 4332 1 13 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.153 0.362 25086 4333 1 13 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.499 -0.211 25086 4334 1 13 . 1 1 23 23 GLN H H 23 7.953 7.953 7.776 0.177 25086 4335 1 13 . 1 1 24 24 ALA N N 24 122.104 122.104 121.264 0.840 25086 4336 1 13 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.245 -0.137 25086 4337 1 13 . 1 1 24 24 ALA C C 24 179.010 179.010 178.167 0.843 25086 4338 1 13 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.304 0.441 25086 4339 1 13 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.137 -0.418 25086 4340 1 13 . 1 1 24 24 ALA H H 24 7.617 7.617 7.594 0.023 25086 4341 1 13 . 1 1 25 25 LEU N N 25 115.630 115.630 115.955 -0.325 25086 4342 1 13 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.423 -0.117 25086 4343 1 13 . 1 1 25 25 LEU C C 25 175.862 175.862 176.265 -0.403 25086 4344 1 13 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.408 -0.400 25086 4345 1 13 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.540 1.077 25086 4346 1 13 . 1 1 25 25 LEU H H 25 7.381 7.381 7.463 -0.082 25086 4347 1 13 . 1 1 26 26 ASN N N 26 118.019 118.019 114.219 3.800 25086 4348 1 13 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.390 -0.101 25086 4349 1 13 . 1 1 26 26 ASN C C 26 173.478 173.478 174.680 -1.202 25086 4350 1 13 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.359 -0.166 25086 4351 1 13 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.306 0.052 25086 4352 1 13 . 1 1 26 26 ASN H H 26 7.966 7.966 7.640 0.326 25086 4353 1 13 . 1 1 27 27 LEU N N 27 118.539 118.539 115.013 3.526 25086 4354 1 13 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.656 -0.073 25086 4355 1 13 . 1 1 27 27 LEU C C 27 174.995 174.995 175.258 -0.263 25086 4356 1 13 . 1 1 27 27 LEU CA C 27 53.740 53.740 54.057 -0.317 25086 4357 1 13 . 1 1 27 27 LEU CB C 27 46.165 46.165 43.306 2.859 25086 4358 1 13 . 1 1 27 27 LEU H H 27 8.023 8.023 7.853 0.170 25086 4359 1 13 . 1 1 28 28 ASN N N 28 121.416 121.416 116.695 4.721 25086 4360 1 13 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.873 0.007 25086 4361 1 13 . 1 1 28 28 ASN C C 28 174.980 174.980 175.059 -0.079 25086 4362 1 13 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.367 -0.023 25086 4363 1 13 . 1 1 28 28 ASN CB C 28 42.553 42.553 40.882 1.671 25086 4364 1 13 . 1 1 28 28 ASN H H 28 8.889 8.889 8.341 0.548 25086 4365 1 13 . 1 1 29 29 ILE N N 29 120.022 120.022 121.239 -1.217 25086 4366 1 13 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.147 -0.820 25086 4367 1 13 . 1 1 29 29 ILE C C 29 176.499 176.499 176.271 0.228 25086 4368 1 13 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.277 0.967 25086 4369 1 13 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.279 -1.013 25086 4370 1 13 . 1 1 29 29 ILE H H 29 8.396 8.396 8.466 -0.070 25086 4371 1 13 . 1 1 30 30 ASP N N 30 121.326 121.326 121.808 -0.482 25086 4372 1 13 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.363 0.038 25086 4373 1 13 . 1 1 30 30 ASP C C 30 175.994 175.994 175.135 0.859 25086 4374 1 13 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.233 2.710 25086 4375 1 13 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.371 -1.556 25086 4376 1 13 . 1 1 30 30 ASP H H 30 9.114 9.114 8.800 0.315 25086 4377 1 13 . 1 1 31 31 ASP N N 31 121.764 121.764 121.373 0.391 25086 4378 1 13 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.623 0.070 25086 4379 1 13 . 1 1 31 31 ASP C C 31 175.904 175.904 176.171 -0.267 25086 4380 1 13 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.448 0.844 25086 4381 1 13 . 1 1 31 31 ASP CB C 31 41.176 41.176 41.785 -0.610 25086 4382 1 13 . 1 1 31 31 ASP H H 31 8.056 8.056 7.720 0.336 25086 4383 1 13 . 1 1 32 32 GLU N N 32 120.895 120.895 125.391 -4.496 25086 4384 1 13 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.370 0.326 25086 4385 1 13 . 1 1 32 32 GLU C C 32 176.717 176.717 174.857 1.860 25086 4386 1 13 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.791 0.618 25086 4387 1 13 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.273 1.031 25086 4388 1 13 . 1 1 32 32 GLU H H 32 8.683 8.683 8.742 -0.059 25086 4389 1 13 . 1 1 33 33 VAL N N 33 114.605 114.605 116.201 -1.596 25086 4390 1 13 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.408 0.598 25086 4391 1 13 . 1 1 33 33 VAL C C 33 173.447 173.447 174.691 -1.244 25086 4392 1 13 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.362 -0.934 25086 4393 1 13 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.065 0.699 25086 4394 1 13 . 1 1 33 33 VAL H H 33 8.423 8.423 8.084 0.339 25086 4395 1 13 . 1 1 34 34 LYS N N 34 122.276 122.276 124.354 -2.078 25086 4396 1 13 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.613 0.154 25086 4397 1 13 . 1 1 34 34 LYS C C 34 175.062 175.062 175.409 -0.347 25086 4398 1 13 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.195 -0.543 25086 4399 1 13 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.011 0.846 25086 4400 1 13 . 1 1 34 34 LYS H H 34 8.989 8.989 8.521 0.468 25086 4401 1 13 . 1 1 35 35 ILE N N 35 124.021 124.021 127.747 -3.726 25086 4402 1 13 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.600 0.454 25086 4403 1 13 . 1 1 35 35 ILE C C 35 174.111 174.111 175.550 -1.439 25086 4404 1 13 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.237 0.000 25086 4405 1 13 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.889 2.100 25086 4406 1 13 . 1 1 35 35 ILE H H 35 8.717 8.717 8.803 -0.086 25086 4407 1 13 . 1 1 36 36 ASP N N 36 126.126 126.126 128.984 -2.858 25086 4408 1 13 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.919 0.135 25086 4409 1 13 . 1 1 36 36 ASP C C 36 173.496 173.496 174.596 -1.100 25086 4410 1 13 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.761 -1.518 25086 4411 1 13 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.234 2.046 25086 4412 1 13 . 1 1 36 36 ASP H H 36 8.948 8.948 8.444 0.504 25086 4413 1 13 . 1 1 37 37 LEU N N 37 123.664 123.664 125.441 -1.777 25086 4414 1 13 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.948 0.253 25086 4415 1 13 . 1 1 37 37 LEU C C 37 175.865 175.865 175.869 -0.004 25086 4416 1 13 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.294 -0.233 25086 4417 1 13 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.664 1.642 25086 4418 1 13 . 1 1 37 37 LEU H H 37 8.629 8.629 8.662 -0.033 25086 4419 1 13 . 1 1 38 38 VAL N N 38 126.795 126.795 126.129 0.666 25086 4420 1 13 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.328 -0.139 25086 4421 1 13 . 1 1 38 38 VAL C C 38 175.379 175.379 175.044 0.335 25086 4422 1 13 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.757 -0.277 25086 4423 1 13 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.734 0.368 25086 4424 1 13 . 1 1 38 38 VAL H H 38 8.772 8.772 8.900 -0.128 25086 4425 1 13 . 1 1 39 39 ASP N N 39 127.355 127.355 127.901 -0.546 25086 4426 1 13 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.322 -0.101 25086 4427 1 13 . 1 1 39 39 ASP C C 39 175.944 175.944 176.360 -0.416 25086 4428 1 13 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.681 0.543 25086 4429 1 13 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.369 -0.363 25086 4430 1 13 . 1 1 39 39 ASP H H 39 9.154 9.154 9.188 -0.034 25086 4431 1 13 . 1 1 40 40 GLY N N 40 103.124 103.124 102.894 0.230 25086 4432 1 13 . 1 1 40 40 GLY C C 40 172.842 172.842 173.557 -0.715 25086 4433 1 13 . 1 1 40 40 GLY CA C 40 46.062 46.062 44.989 1.073 25086 4434 1 13 . 1 1 40 40 GLY H H 40 8.425 8.425 8.362 0.063 25086 4435 1 13 . 1 1 41 41 LYS N N 41 117.155 117.155 119.825 -2.670 25086 4436 1 13 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.588 0.157 25086 4437 1 13 . 1 1 41 41 LYS C C 41 174.385 174.385 174.892 -0.507 25086 4438 1 13 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.291 0.199 25086 4439 1 13 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.160 0.084 25086 4440 1 13 . 1 1 41 41 LYS H H 41 7.676 7.676 7.839 -0.163 25086 4441 1 13 . 1 1 42 42 LEU N N 42 119.938 119.938 126.157 -6.219 25086 4442 1 13 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.390 0.676 25086 4443 1 13 . 1 1 42 42 LEU C C 42 174.895 174.895 176.434 -1.539 25086 4444 1 13 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.735 -1.175 25086 4445 1 13 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.376 1.072 25086 4446 1 13 . 1 1 42 42 LEU H H 42 8.585 8.585 8.605 -0.020 25086 4447 1 13 . 1 1 43 43 ILE N N 43 123.764 123.764 126.275 -2.511 25086 4448 1 13 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.313 0.612 25086 4449 1 13 . 1 1 43 43 ILE C C 43 175.893 175.893 174.114 1.779 25086 4450 1 13 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.111 0.176 25086 4451 1 13 . 1 1 43 43 ILE CB C 43 39.178 39.178 37.394 1.784 25086 4452 1 13 . 1 1 43 43 ILE H H 43 9.075 9.075 8.838 0.237 25086 4453 1 13 . 1 1 44 44 ILE N N 44 126.815 126.815 129.383 -2.568 25086 4454 1 13 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.549 0.407 25086 4455 1 13 . 1 1 44 44 ILE C C 44 174.230 174.230 175.924 -1.694 25086 4456 1 13 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.983 0.234 25086 4457 1 13 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.545 0.616 25086 4458 1 13 . 1 1 44 44 ILE H H 44 9.411 9.411 8.502 0.909 25086 4459 1 13 . 1 1 45 45 GLU N N 45 126.742 126.742 128.751 -2.009 25086 4460 1 13 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.916 0.258 25086 4461 1 13 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.869 -0.918 25086 4462 1 13 . 1 1 45 45 GLU CB C 45 33.866 33.866 31.882 1.984 25086 4463 1 13 . 1 1 45 45 GLU H H 45 8.929 8.929 8.451 0.478 25086 4464 1 13 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.521 0.031 25086 4465 1 13 . 1 1 46 46 PRO C C 46 175.856 175.856 176.016 -0.160 25086 4466 1 13 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.027 1.188 25086 4467 1 13 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.833 -0.395 25086 4468 1 13 . 1 1 47 47 VAL N N 47 123.846 123.846 120.561 3.285 25086 4469 1 13 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.326 -0.309 25086 4470 1 13 . 1 1 47 47 VAL C C 47 175.776 175.776 175.424 0.352 25086 4471 1 13 . 1 1 47 47 VAL CA C 47 62.656 62.656 60.773 1.883 25086 4472 1 13 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.499 0.772 25086 4473 1 13 . 1 1 47 47 VAL H H 47 7.893 7.893 8.329 -0.435 25086 4474 1 13 . 1 1 48 48 ARG N N 48 126.674 126.674 128.334 -1.660 25086 4475 1 13 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.286 0.120 25086 4476 1 13 . 1 1 48 48 ARG C C 48 175.887 175.887 175.598 0.289 25086 4477 1 13 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.181 -0.661 25086 4478 1 13 . 1 1 48 48 ARG CB C 48 30.801 30.801 31.314 -0.513 25086 4479 1 13 . 1 1 48 48 ARG H H 48 8.646 8.646 8.566 0.080 25086 4480 1 13 . 1 1 49 49 LYS N N 49 124.176 124.176 124.627 -0.451 25086 4481 1 13 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.306 0.053 25086 4482 1 13 . 1 1 49 49 LYS C C 49 175.579 175.579 175.914 -0.335 25086 4483 1 13 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.275 -0.105 25086 4484 1 13 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.822 1.396 25086 4485 1 13 . 1 1 49 49 LYS H H 49 8.563 8.563 8.341 0.222 25086 4486 1 14 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.865 -0.258 25086 4487 1 14 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.609 0.196 25086 4488 1 14 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.484 0.614 25086 4489 1 14 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 31.401 -1.021 25086 4490 1 14 . 1 1 -14 -14 LYS N N -14 122.750 122.750 119.826 2.924 25086 4491 1 14 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.552 -0.309 25086 4492 1 14 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.952 0.198 25086 4493 1 14 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 54.863 1.485 25086 4494 1 14 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 34.515 -1.530 25086 4495 1 14 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.084 0.270 25086 4496 1 14 . 1 1 -13 -13 VAL N N -13 121.546 121.546 123.353 -1.807 25086 4497 1 14 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.979 -0.001 25086 4498 1 14 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.670 -0.059 25086 4499 1 14 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.145 0.003 25086 4500 1 14 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.453 1.362 25086 4501 1 14 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.315 -0.217 25086 4502 1 14 . 1 1 -12 -12 HIS N N -12 123.329 123.329 126.049 -2.720 25086 4503 1 14 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.397 -0.871 25086 4504 1 14 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 29.890 0.550 25086 4505 1 14 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.325 0.113 25086 4506 1 14 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.830 -0.224 25086 4507 1 14 . 1 1 -7 -7 HIS C C -7 174.714 174.714 173.970 0.744 25086 4508 1 14 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 53.663 2.318 25086 4509 1 14 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.572 -0.667 25086 4510 1 14 . 1 1 -6 -6 MET N N -6 122.431 122.431 126.487 -4.056 25086 4511 1 14 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.626 -0.173 25086 4512 1 14 . 1 1 -6 -6 MET C C -6 176.091 176.091 176.201 -0.110 25086 4513 1 14 . 1 1 -6 -6 MET CA C -6 55.658 55.658 56.884 -1.226 25086 4514 1 14 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.508 1.444 25086 4515 1 14 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.892 -0.372 25086 4516 1 14 . 1 1 -5 -5 SER N N -5 116.616 116.616 119.066 -2.450 25086 4517 1 14 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.488 -0.044 25086 4518 1 14 . 1 1 -5 -5 SER C C -5 174.462 174.462 173.909 0.553 25086 4519 1 14 . 1 1 -5 -5 SER CA C -5 58.379 58.379 60.023 -1.644 25086 4520 1 14 . 1 1 -5 -5 SER CB C -5 63.989 63.989 64.703 -0.714 25086 4521 1 14 . 1 1 -5 -5 SER H H -5 8.410 8.410 9.221 -0.811 25086 4522 1 14 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.907 -0.587 25086 4523 1 14 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.667 -0.065 25086 4524 1 14 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.446 -1.248 25086 4525 1 14 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 55.759 -0.979 25086 4526 1 14 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.331 -0.214 25086 4527 1 14 . 1 1 -4 -4 ASP H H -4 8.429 8.429 7.839 0.590 25086 4528 1 14 . 1 1 -3 -3 ASP N N -3 119.793 119.793 119.630 0.163 25086 4529 1 14 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.380 0.184 25086 4530 1 14 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.977 -0.731 25086 4531 1 14 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.741 -2.012 25086 4532 1 14 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.813 0.381 25086 4533 1 14 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.444 -0.238 25086 4534 1 14 . 1 1 -2 -2 ASP N N -2 120.270 120.270 116.726 3.544 25086 4535 1 14 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.638 -0.071 25086 4536 1 14 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.604 0.449 25086 4537 1 14 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 54.552 0.186 25086 4538 1 14 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.157 -0.913 25086 4539 1 14 . 1 1 -2 -2 ASP H H -2 8.170 8.170 8.168 0.002 25086 4540 1 14 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.994 -0.715 25086 4541 1 14 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.634 -0.044 25086 4542 1 14 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.492 0.814 25086 4543 1 14 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.102 0.313 25086 4544 1 14 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.344 0.760 25086 4545 1 14 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.814 0.411 25086 4546 1 14 . 1 1 0 0 LYS N N 0 121.408 121.408 122.604 -1.196 25086 4547 1 14 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.643 -0.258 25086 4548 1 14 . 1 1 0 0 LYS C C 0 177.017 177.017 175.752 1.265 25086 4549 1 14 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.053 0.044 25086 4550 1 14 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.176 -0.207 25086 4551 1 14 . 1 1 0 0 LYS H H 0 8.251 8.251 7.917 0.334 25086 4552 1 14 . 1 1 1 1 GLY N N 1 109.054 109.054 108.734 0.320 25086 4553 1 14 . 1 1 1 1 GLY C C 1 173.630 173.630 173.464 0.166 25086 4554 1 14 . 1 1 1 1 GLY CA C 1 45.285 45.285 45.606 -0.321 25086 4555 1 14 . 1 1 1 1 GLY H H 1 8.370 8.370 8.049 0.321 25086 4556 1 14 . 1 1 2 2 ILE N N 2 120.862 120.862 122.404 -1.542 25086 4557 1 14 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.275 0.022 25086 4558 1 14 . 1 1 2 2 ILE C C 2 175.993 175.993 175.580 0.413 25086 4559 1 14 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.068 -0.236 25086 4560 1 14 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.618 1.115 25086 4561 1 14 . 1 1 2 2 ILE H H 2 8.579 8.579 7.901 0.679 25086 4562 1 14 . 1 1 3 3 HIS N N 3 124.483 124.483 127.926 -3.443 25086 4563 1 14 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.761 0.473 25086 4564 1 14 . 1 1 3 3 HIS C C 3 174.751 174.751 174.962 -0.211 25086 4565 1 14 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.821 -0.536 25086 4566 1 14 . 1 1 3 3 HIS CB C 3 30.076 30.076 29.605 0.471 25086 4567 1 14 . 1 1 3 3 HIS H H 3 8.920 8.920 8.821 0.099 25086 4568 1 14 . 1 1 4 4 SER N N 4 117.417 117.417 120.420 -3.003 25086 4569 1 14 . 1 1 4 4 SER HA H 4 4.712 4.712 4.831 -0.119 25086 4570 1 14 . 1 1 4 4 SER C C 4 174.112 174.112 173.438 0.674 25086 4571 1 14 . 1 1 4 4 SER CA C 4 56.102 56.102 57.546 -1.444 25086 4572 1 14 . 1 1 4 4 SER CB C 4 64.679 64.679 64.648 0.031 25086 4573 1 14 . 1 1 4 4 SER H H 4 8.925 8.925 8.317 0.608 25086 4574 1 14 . 1 1 5 5 SER N N 5 114.372 114.372 116.052 -1.680 25086 4575 1 14 . 1 1 5 5 SER HA H 5 5.390 5.390 4.638 0.752 25086 4576 1 14 . 1 1 5 5 SER C C 5 173.075 173.075 172.704 0.371 25086 4577 1 14 . 1 1 5 5 SER CA C 5 57.153 57.153 57.946 -0.793 25086 4578 1 14 . 1 1 5 5 SER CB C 5 65.752 65.752 64.892 0.860 25086 4579 1 14 . 1 1 5 5 SER H H 5 8.623 8.623 8.079 0.544 25086 4580 1 14 . 1 1 6 6 VAL N N 6 121.311 121.311 122.015 -0.704 25086 4581 1 14 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.143 0.026 25086 4582 1 14 . 1 1 6 6 VAL C C 6 175.872 175.872 176.111 -0.239 25086 4583 1 14 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.737 0.009 25086 4584 1 14 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.944 -0.447 25086 4585 1 14 . 1 1 6 6 VAL H H 6 8.384 8.384 8.595 -0.211 25086 4586 1 14 . 1 1 7 7 LYS N N 7 128.341 128.341 128.892 -0.551 25086 4587 1 14 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.805 0.160 25086 4588 1 14 . 1 1 7 7 LYS C C 7 174.655 174.655 174.843 -0.188 25086 4589 1 14 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.720 -0.111 25086 4590 1 14 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.249 1.325 25086 4591 1 14 . 1 1 7 7 LYS H H 7 9.042 9.042 8.871 0.171 25086 4592 1 14 . 1 1 8 8 ARG N N 8 120.527 120.527 121.199 -0.672 25086 4593 1 14 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.722 -0.358 25086 4594 1 14 . 1 1 8 8 ARG C C 8 174.148 174.148 175.619 -1.471 25086 4595 1 14 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.895 0.281 25086 4596 1 14 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.664 -0.158 25086 4597 1 14 . 1 1 8 8 ARG H H 8 8.791 8.791 8.651 0.140 25086 4598 1 14 . 1 1 9 9 TRP N N 9 131.164 131.164 130.677 0.487 25086 4599 1 14 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.719 -0.067 25086 4600 1 14 . 1 1 9 9 TRP C C 9 176.351 176.351 175.880 0.471 25086 4601 1 14 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.798 -1.761 25086 4602 1 14 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.268 -1.202 25086 4603 1 14 . 1 1 9 9 TRP H H 9 8.994 8.994 9.141 -0.147 25086 4604 1 14 . 1 1 10 10 GLY N N 10 117.757 117.757 118.393 -0.636 25086 4605 1 14 . 1 1 10 10 GLY C C 10 173.798 173.798 173.915 -0.117 25086 4606 1 14 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.424 0.900 25086 4607 1 14 . 1 1 10 10 GLY H H 10 9.134 9.134 8.170 0.964 25086 4608 1 14 . 1 1 11 11 ASN N N 11 125.396 125.396 124.111 1.285 25086 4609 1 14 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.938 -0.169 25086 4610 1 14 . 1 1 11 11 ASN C C 11 175.190 175.190 173.984 1.206 25086 4611 1 14 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.681 0.061 25086 4612 1 14 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.467 -0.156 25086 4613 1 14 . 1 1 11 11 ASN H H 11 8.667 8.667 8.518 0.149 25086 4614 1 14 . 1 1 12 12 SER N N 12 115.939 115.939 116.919 -0.980 25086 4615 1 14 . 1 1 12 12 SER HA H 12 5.038 5.038 4.839 0.199 25086 4616 1 14 . 1 1 12 12 SER CA C 12 56.293 56.293 55.859 0.434 25086 4617 1 14 . 1 1 12 12 SER CB C 12 65.254 65.254 65.668 -0.414 25086 4618 1 14 . 1 1 12 12 SER H H 12 7.798 7.798 7.781 0.017 25086 4619 1 14 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.971 -0.108 25086 4620 1 14 . 1 1 13 13 PRO C C 13 177.322 177.322 176.055 1.267 25086 4621 1 14 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.400 -0.271 25086 4622 1 14 . 1 1 13 13 PRO CB C 13 32.618 32.618 32.032 0.586 25086 4623 1 14 . 1 1 14 14 ALA N N 14 125.096 125.096 128.564 -3.468 25086 4624 1 14 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.942 0.347 25086 4625 1 14 . 1 1 14 14 ALA C C 14 174.888 174.888 175.375 -0.487 25086 4626 1 14 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.368 0.402 25086 4627 1 14 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.959 1.312 25086 4628 1 14 . 1 1 14 14 ALA H H 14 9.419 9.419 9.126 0.293 25086 4629 1 14 . 1 1 15 15 VAL N N 15 116.316 116.316 122.611 -6.295 25086 4630 1 14 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.339 0.402 25086 4631 1 14 . 1 1 15 15 VAL C C 15 175.375 175.375 176.035 -0.660 25086 4632 1 14 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.041 -1.209 25086 4633 1 14 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.284 2.257 25086 4634 1 14 . 1 1 15 15 VAL H H 15 8.491 8.491 8.559 -0.068 25086 4635 1 14 . 1 1 16 16 ARG N N 16 125.595 125.595 126.813 -1.218 25086 4636 1 14 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.287 0.446 25086 4637 1 14 . 1 1 16 16 ARG C C 16 176.071 176.071 175.169 0.902 25086 4638 1 14 . 1 1 16 16 ARG CA C 16 56.204 56.204 56.160 0.044 25086 4639 1 14 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.621 -0.128 25086 4640 1 14 . 1 1 16 16 ARG H H 16 8.812 8.812 8.700 0.112 25086 4641 1 14 . 1 1 17 17 ILE N N 17 123.572 123.572 127.252 -3.680 25086 4642 1 14 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.384 0.011 25086 4643 1 14 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.769 -1.178 25086 4644 1 14 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.620 0.161 25086 4645 1 14 . 1 1 17 17 ILE H H 17 8.020 8.020 8.230 -0.210 25086 4646 1 14 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.476 -0.085 25086 4647 1 14 . 1 1 18 18 PRO C C 18 177.860 177.860 177.423 0.437 25086 4648 1 14 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.511 0.357 25086 4649 1 14 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.572 0.264 25086 4650 1 14 . 1 1 19 19 ALA N N 19 128.602 128.602 127.488 1.114 25086 4651 1 14 . 1 1 19 19 ALA HA H 19 3.938 3.938 3.993 -0.055 25086 4652 1 14 . 1 1 19 19 ALA C C 19 180.059 180.059 179.539 0.520 25086 4653 1 14 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.158 0.717 25086 4654 1 14 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.193 0.107 25086 4655 1 14 . 1 1 19 19 ALA H H 19 8.975 8.975 8.796 0.179 25086 4656 1 14 . 1 1 20 20 THR N N 20 108.352 108.352 115.071 -6.719 25086 4657 1 14 . 1 1 20 20 THR HA H 20 4.041 4.041 4.002 0.039 25086 4658 1 14 . 1 1 20 20 THR C C 20 177.381 177.381 176.171 1.210 25086 4659 1 14 . 1 1 20 20 THR CA C 20 64.688 64.688 66.781 -2.093 25086 4660 1 14 . 1 1 20 20 THR CB C 20 68.155 68.155 68.378 -0.223 25086 4661 1 14 . 1 1 20 20 THR H H 20 8.263 8.263 8.277 -0.014 25086 4662 1 14 . 1 1 21 21 LEU N N 21 121.199 121.199 121.347 -0.148 25086 4663 1 14 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.275 -0.049 25086 4664 1 14 . 1 1 21 21 LEU C C 21 178.002 178.002 178.242 -0.240 25086 4665 1 14 . 1 1 21 21 LEU CA C 21 56.943 56.943 56.885 0.058 25086 4666 1 14 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.159 -0.127 25086 4667 1 14 . 1 1 21 21 LEU H H 21 7.040 7.040 7.873 -0.833 25086 4668 1 14 . 1 1 22 22 MET N N 22 117.150 117.150 119.059 -1.909 25086 4669 1 14 . 1 1 22 22 MET HA H 22 4.019 4.019 3.954 0.065 25086 4670 1 14 . 1 1 22 22 MET C C 22 178.951 178.951 178.802 0.149 25086 4671 1 14 . 1 1 22 22 MET CA C 22 57.881 57.881 58.803 -0.922 25086 4672 1 14 . 1 1 22 22 MET CB C 22 30.803 30.803 31.347 -0.544 25086 4673 1 14 . 1 1 22 22 MET H H 22 7.415 7.415 7.907 -0.492 25086 4674 1 14 . 1 1 23 23 GLN N N 23 116.690 116.690 117.129 -0.439 25086 4675 1 14 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.111 0.049 25086 4676 1 14 . 1 1 23 23 GLN C C 23 179.589 179.589 178.940 0.649 25086 4677 1 14 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.540 -0.025 25086 4678 1 14 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.259 0.028 25086 4679 1 14 . 1 1 23 23 GLN H H 23 7.953 7.953 8.451 -0.498 25086 4680 1 14 . 1 1 24 24 ALA N N 24 122.104 122.104 121.702 0.402 25086 4681 1 14 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.089 0.019 25086 4682 1 14 . 1 1 24 24 ALA C C 24 179.010 179.010 178.460 0.550 25086 4683 1 14 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.505 0.240 25086 4684 1 14 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.893 -0.174 25086 4685 1 14 . 1 1 24 24 ALA H H 24 7.617 7.617 7.542 0.075 25086 4686 1 14 . 1 1 25 25 LEU N N 25 115.630 115.630 114.510 1.120 25086 4687 1 14 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.380 -0.074 25086 4688 1 14 . 1 1 25 25 LEU C C 25 175.862 175.862 176.070 -0.208 25086 4689 1 14 . 1 1 25 25 LEU CA C 25 54.009 54.009 53.802 0.207 25086 4690 1 14 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.447 1.170 25086 4691 1 14 . 1 1 25 25 LEU H H 25 7.381 7.381 7.610 -0.229 25086 4692 1 14 . 1 1 26 26 ASN N N 26 118.019 118.019 118.251 -0.232 25086 4693 1 14 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.375 -0.086 25086 4694 1 14 . 1 1 26 26 ASN C C 26 173.478 173.478 174.333 -0.855 25086 4695 1 14 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.055 0.138 25086 4696 1 14 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.927 0.431 25086 4697 1 14 . 1 1 26 26 ASN H H 26 7.966 7.966 7.481 0.485 25086 4698 1 14 . 1 1 27 27 LEU N N 27 118.539 118.539 114.739 3.800 25086 4699 1 14 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.828 -0.245 25086 4700 1 14 . 1 1 27 27 LEU C C 27 174.995 174.995 174.383 0.612 25086 4701 1 14 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.310 0.430 25086 4702 1 14 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.493 1.671 25086 4703 1 14 . 1 1 27 27 LEU H H 27 8.023 8.023 7.833 0.190 25086 4704 1 14 . 1 1 28 28 ASN N N 28 121.416 121.416 116.533 4.883 25086 4705 1 14 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.918 -0.038 25086 4706 1 14 . 1 1 28 28 ASN C C 28 174.980 174.980 174.546 0.434 25086 4707 1 14 . 1 1 28 28 ASN CA C 28 51.344 51.344 52.030 -0.686 25086 4708 1 14 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.666 0.887 25086 4709 1 14 . 1 1 28 28 ASN H H 28 8.889 8.889 8.381 0.508 25086 4710 1 14 . 1 1 29 29 ILE N N 29 120.022 120.022 121.241 -1.219 25086 4711 1 14 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.116 -0.789 25086 4712 1 14 . 1 1 29 29 ILE C C 29 176.499 176.499 177.003 -0.504 25086 4713 1 14 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.676 0.568 25086 4714 1 14 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.214 -0.948 25086 4715 1 14 . 1 1 29 29 ILE H H 29 8.396 8.396 8.414 -0.018 25086 4716 1 14 . 1 1 30 30 ASP N N 30 121.326 121.326 122.783 -1.457 25086 4717 1 14 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.403 -0.002 25086 4718 1 14 . 1 1 30 30 ASP C C 30 175.994 175.994 175.049 0.945 25086 4719 1 14 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.157 2.786 25086 4720 1 14 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.533 -1.718 25086 4721 1 14 . 1 1 30 30 ASP H H 30 9.114 9.114 8.761 0.353 25086 4722 1 14 . 1 1 31 31 ASP N N 31 121.764 121.764 120.191 1.573 25086 4723 1 14 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.738 -0.045 25086 4724 1 14 . 1 1 31 31 ASP C C 31 175.904 175.904 176.281 -0.377 25086 4725 1 14 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.047 1.246 25086 4726 1 14 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.059 -0.883 25086 4727 1 14 . 1 1 31 31 ASP H H 31 8.056 8.056 7.811 0.245 25086 4728 1 14 . 1 1 32 32 GLU N N 32 120.895 120.895 122.847 -1.952 25086 4729 1 14 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.416 0.280 25086 4730 1 14 . 1 1 32 32 GLU C C 32 176.717 176.717 175.281 1.436 25086 4731 1 14 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.089 0.320 25086 4732 1 14 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.834 0.471 25086 4733 1 14 . 1 1 32 32 GLU H H 32 8.683 8.683 8.589 0.094 25086 4734 1 14 . 1 1 33 33 VAL N N 33 114.605 114.605 115.026 -0.421 25086 4735 1 14 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.491 0.515 25086 4736 1 14 . 1 1 33 33 VAL C C 33 173.447 173.447 174.836 -1.389 25086 4737 1 14 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.784 -1.356 25086 4738 1 14 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.475 0.289 25086 4739 1 14 . 1 1 33 33 VAL H H 33 8.423 8.423 8.166 0.257 25086 4740 1 14 . 1 1 34 34 LYS N N 34 122.276 122.276 124.432 -2.156 25086 4741 1 14 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.531 0.236 25086 4742 1 14 . 1 1 34 34 LYS C C 34 175.062 175.062 175.147 -0.085 25086 4743 1 14 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.452 -0.800 25086 4744 1 14 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.353 1.504 25086 4745 1 14 . 1 1 34 34 LYS H H 34 8.989 8.989 8.780 0.209 25086 4746 1 14 . 1 1 35 35 ILE N N 35 124.021 124.021 128.240 -4.219 25086 4747 1 14 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.481 0.573 25086 4748 1 14 . 1 1 35 35 ILE C C 35 174.111 174.111 175.640 -1.529 25086 4749 1 14 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.538 -0.300 25086 4750 1 14 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.613 2.376 25086 4751 1 14 . 1 1 35 35 ILE H H 35 8.717 8.717 8.769 -0.052 25086 4752 1 14 . 1 1 36 36 ASP N N 36 126.126 126.126 129.503 -3.377 25086 4753 1 14 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.920 0.134 25086 4754 1 14 . 1 1 36 36 ASP C C 36 173.496 173.496 174.274 -0.778 25086 4755 1 14 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.653 -1.410 25086 4756 1 14 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.932 1.348 25086 4757 1 14 . 1 1 36 36 ASP H H 36 8.948 8.948 8.770 0.178 25086 4758 1 14 . 1 1 37 37 LEU N N 37 123.664 123.664 123.918 -0.254 25086 4759 1 14 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.342 -0.141 25086 4760 1 14 . 1 1 37 37 LEU C C 37 175.865 175.865 176.187 -0.322 25086 4761 1 14 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.005 0.056 25086 4762 1 14 . 1 1 37 37 LEU CB C 37 44.306 44.306 43.997 0.309 25086 4763 1 14 . 1 1 37 37 LEU H H 37 8.629 8.629 8.548 0.081 25086 4764 1 14 . 1 1 38 38 VAL N N 38 126.795 126.795 125.768 1.027 25086 4765 1 14 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.308 -0.119 25086 4766 1 14 . 1 1 38 38 VAL C C 38 175.379 175.379 175.116 0.263 25086 4767 1 14 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.667 -0.187 25086 4768 1 14 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.238 0.864 25086 4769 1 14 . 1 1 38 38 VAL H H 38 8.772 8.772 8.528 0.244 25086 4770 1 14 . 1 1 39 39 ASP N N 39 127.355 127.355 127.266 0.089 25086 4771 1 14 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.308 -0.087 25086 4772 1 14 . 1 1 39 39 ASP C C 39 175.944 175.944 176.604 -0.660 25086 4773 1 14 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.341 -0.117 25086 4774 1 14 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.394 -0.388 25086 4775 1 14 . 1 1 39 39 ASP H H 39 9.154 9.154 9.086 0.068 25086 4776 1 14 . 1 1 40 40 GLY N N 40 103.124 103.124 102.224 0.900 25086 4777 1 14 . 1 1 40 40 GLY C C 40 172.842 172.842 173.633 -0.791 25086 4778 1 14 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.121 0.941 25086 4779 1 14 . 1 1 40 40 GLY H H 40 8.425 8.425 8.462 -0.037 25086 4780 1 14 . 1 1 41 41 LYS N N 41 117.155 117.155 119.749 -2.594 25086 4781 1 14 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.617 0.128 25086 4782 1 14 . 1 1 41 41 LYS C C 41 174.385 174.385 175.109 -0.724 25086 4783 1 14 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.376 0.114 25086 4784 1 14 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.450 -0.206 25086 4785 1 14 . 1 1 41 41 LYS H H 41 7.676 7.676 7.692 -0.016 25086 4786 1 14 . 1 1 42 42 LEU N N 42 119.938 119.938 125.084 -5.146 25086 4787 1 14 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.419 0.647 25086 4788 1 14 . 1 1 42 42 LEU C C 42 174.895 174.895 176.356 -1.461 25086 4789 1 14 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.809 -1.249 25086 4790 1 14 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.080 1.368 25086 4791 1 14 . 1 1 42 42 LEU H H 42 8.585 8.585 8.533 0.052 25086 4792 1 14 . 1 1 43 43 ILE N N 43 123.764 123.764 126.674 -2.910 25086 4793 1 14 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.293 0.632 25086 4794 1 14 . 1 1 43 43 ILE C C 43 175.893 175.893 174.560 1.333 25086 4795 1 14 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.232 0.055 25086 4796 1 14 . 1 1 43 43 ILE CB C 43 39.178 39.178 37.469 1.709 25086 4797 1 14 . 1 1 43 43 ILE H H 43 9.075 9.075 8.889 0.186 25086 4798 1 14 . 1 1 44 44 ILE N N 44 126.815 126.815 129.682 -2.867 25086 4799 1 14 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.533 0.423 25086 4800 1 14 . 1 1 44 44 ILE C C 44 174.230 174.230 175.803 -1.573 25086 4801 1 14 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.984 0.233 25086 4802 1 14 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.526 0.635 25086 4803 1 14 . 1 1 44 44 ILE H H 44 9.411 9.411 8.424 0.987 25086 4804 1 14 . 1 1 45 45 GLU N N 45 126.742 126.742 130.022 -3.280 25086 4805 1 14 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.897 0.277 25086 4806 1 14 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.385 -0.434 25086 4807 1 14 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.207 1.659 25086 4808 1 14 . 1 1 45 45 GLU H H 45 8.929 8.929 9.043 -0.114 25086 4809 1 14 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.373 0.179 25086 4810 1 14 . 1 1 46 46 PRO C C 46 175.856 175.856 176.211 -0.355 25086 4811 1 14 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.862 0.353 25086 4812 1 14 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.368 0.070 25086 4813 1 14 . 1 1 47 47 VAL N N 47 123.846 123.846 123.161 0.685 25086 4814 1 14 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.139 -0.122 25086 4815 1 14 . 1 1 47 47 VAL C C 47 175.776 175.776 175.376 0.400 25086 4816 1 14 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.342 1.314 25086 4817 1 14 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.899 0.372 25086 4818 1 14 . 1 1 47 47 VAL H H 47 7.893 7.893 8.110 -0.217 25086 4819 1 14 . 1 1 48 48 ARG N N 48 126.674 126.674 127.538 -0.864 25086 4820 1 14 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.249 0.157 25086 4821 1 14 . 1 1 48 48 ARG C C 48 175.887 175.887 176.017 -0.130 25086 4822 1 14 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.609 -1.089 25086 4823 1 14 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.462 0.339 25086 4824 1 14 . 1 1 48 48 ARG H H 48 8.646 8.646 8.156 0.490 25086 4825 1 14 . 1 1 49 49 LYS N N 49 124.176 124.176 125.439 -1.263 25086 4826 1 14 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.514 -0.155 25086 4827 1 14 . 1 1 49 49 LYS C C 49 175.579 175.579 175.824 -0.245 25086 4828 1 14 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.744 0.426 25086 4829 1 14 . 1 1 49 49 LYS CB C 49 33.218 33.218 30.958 2.260 25086 4830 1 14 . 1 1 49 49 LYS H H 49 8.563 8.563 8.596 -0.033 25086 4831 1 15 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.548 0.059 25086 4832 1 15 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.510 0.295 25086 4833 1 15 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.120 -0.022 25086 4834 1 15 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.610 -0.230 25086 4835 1 15 . 1 1 -14 -14 LYS N N -14 122.750 122.750 127.250 -4.500 25086 4836 1 15 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.322 -0.079 25086 4837 1 15 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.381 0.769 25086 4838 1 15 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 54.534 1.814 25086 4839 1 15 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.154 0.832 25086 4840 1 15 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.562 -0.208 25086 4841 1 15 . 1 1 -13 -13 VAL N N -13 121.546 121.546 122.090 -0.544 25086 4842 1 15 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.209 0.769 25086 4843 1 15 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.966 -0.355 25086 4844 1 15 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.899 -0.751 25086 4845 1 15 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.923 0.892 25086 4846 1 15 . 1 1 -13 -13 VAL H H -13 8.098 8.098 7.627 0.471 25086 4847 1 15 . 1 1 -12 -12 HIS N N -12 123.329 123.329 121.564 1.765 25086 4848 1 15 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 54.967 0.559 25086 4849 1 15 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 29.266 1.174 25086 4850 1 15 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.115 0.323 25086 4851 1 15 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.789 -0.183 25086 4852 1 15 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.183 0.531 25086 4853 1 15 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.518 0.463 25086 4854 1 15 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 31.409 -1.504 25086 4855 1 15 . 1 1 -6 -6 MET N N -6 122.431 122.431 120.396 2.035 25086 4856 1 15 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.946 -0.493 25086 4857 1 15 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.065 1.026 25086 4858 1 15 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.644 0.014 25086 4859 1 15 . 1 1 -6 -6 MET CB C -6 32.952 32.952 34.051 -1.099 25086 4860 1 15 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.730 -0.210 25086 4861 1 15 . 1 1 -5 -5 SER N N -5 116.616 116.616 116.163 0.453 25086 4862 1 15 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.602 -0.158 25086 4863 1 15 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.169 -0.707 25086 4864 1 15 . 1 1 -5 -5 SER CA C -5 58.379 58.379 59.467 -1.088 25086 4865 1 15 . 1 1 -5 -5 SER CB C -5 63.989 63.989 65.339 -1.350 25086 4866 1 15 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.103 0.307 25086 4867 1 15 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.517 -0.197 25086 4868 1 15 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.582 0.020 25086 4869 1 15 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.912 -1.714 25086 4870 1 15 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 57.299 -2.519 25086 4871 1 15 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.742 0.375 25086 4872 1 15 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.746 -0.317 25086 4873 1 15 . 1 1 -3 -3 ASP N N -3 119.793 119.793 119.753 0.040 25086 4874 1 15 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.359 0.205 25086 4875 1 15 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.176 -0.930 25086 4876 1 15 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 57.319 -2.590 25086 4877 1 15 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.520 0.673 25086 4878 1 15 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.666 -0.460 25086 4879 1 15 . 1 1 -2 -2 ASP N N -2 120.270 120.270 116.393 3.877 25086 4880 1 15 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.680 -0.113 25086 4881 1 15 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.781 0.272 25086 4882 1 15 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 54.890 -0.152 25086 4883 1 15 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 40.998 0.246 25086 4884 1 15 . 1 1 -2 -2 ASP H H -2 8.170 8.170 8.518 -0.348 25086 4885 1 15 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.802 -0.523 25086 4886 1 15 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.716 -0.126 25086 4887 1 15 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.773 0.533 25086 4888 1 15 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.361 0.054 25086 4889 1 15 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.072 0.033 25086 4890 1 15 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.611 0.614 25086 4891 1 15 . 1 1 0 0 LYS N N 0 121.408 121.408 125.411 -4.003 25086 4892 1 15 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.300 0.085 25086 4893 1 15 . 1 1 0 0 LYS C C 0 177.017 177.017 177.564 -0.547 25086 4894 1 15 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.237 -0.140 25086 4895 1 15 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.058 -0.089 25086 4896 1 15 . 1 1 0 0 LYS H H 0 8.251 8.251 8.095 0.156 25086 4897 1 15 . 1 1 1 1 GLY N N 1 109.054 109.054 109.888 -0.834 25086 4898 1 15 . 1 1 1 1 GLY C C 1 173.630 173.630 174.580 -0.950 25086 4899 1 15 . 1 1 1 1 GLY CA C 1 45.285 45.285 45.116 0.169 25086 4900 1 15 . 1 1 1 1 GLY H H 1 8.370 8.370 8.369 0.001 25086 4901 1 15 . 1 1 2 2 ILE N N 2 120.862 120.862 121.244 -0.382 25086 4902 1 15 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.978 0.319 25086 4903 1 15 . 1 1 2 2 ILE C C 2 175.993 175.993 175.909 0.084 25086 4904 1 15 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.496 -0.664 25086 4905 1 15 . 1 1 2 2 ILE CB C 2 39.733 39.733 37.810 1.923 25086 4906 1 15 . 1 1 2 2 ILE H H 2 8.579 8.579 8.026 0.553 25086 4907 1 15 . 1 1 3 3 HIS N N 3 124.483 124.483 127.861 -3.378 25086 4908 1 15 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.690 0.544 25086 4909 1 15 . 1 1 3 3 HIS C C 3 174.751 174.751 174.818 -0.067 25086 4910 1 15 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.225 -0.940 25086 4911 1 15 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.305 -0.229 25086 4912 1 15 . 1 1 3 3 HIS H H 3 8.920 8.920 8.809 0.111 25086 4913 1 15 . 1 1 4 4 SER N N 4 117.417 117.417 121.005 -3.588 25086 4914 1 15 . 1 1 4 4 SER HA H 4 4.712 4.712 4.695 0.017 25086 4915 1 15 . 1 1 4 4 SER C C 4 174.112 174.112 173.507 0.605 25086 4916 1 15 . 1 1 4 4 SER CA C 4 56.102 56.102 57.824 -1.722 25086 4917 1 15 . 1 1 4 4 SER CB C 4 64.679 64.679 65.060 -0.381 25086 4918 1 15 . 1 1 4 4 SER H H 4 8.925 8.925 8.730 0.195 25086 4919 1 15 . 1 1 5 5 SER N N 5 114.372 114.372 115.444 -1.072 25086 4920 1 15 . 1 1 5 5 SER HA H 5 5.390 5.390 4.736 0.654 25086 4921 1 15 . 1 1 5 5 SER C C 5 173.075 173.075 172.914 0.161 25086 4922 1 15 . 1 1 5 5 SER CA C 5 57.153 57.153 58.124 -0.971 25086 4923 1 15 . 1 1 5 5 SER CB C 5 65.752 65.752 64.918 0.834 25086 4924 1 15 . 1 1 5 5 SER H H 5 8.623 8.623 8.234 0.389 25086 4925 1 15 . 1 1 6 6 VAL N N 6 121.311 121.311 124.339 -3.028 25086 4926 1 15 . 1 1 6 6 VAL HA H 6 4.169 4.169 3.997 0.172 25086 4927 1 15 . 1 1 6 6 VAL C C 6 175.872 175.872 175.798 0.074 25086 4928 1 15 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.274 0.472 25086 4929 1 15 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.346 -0.849 25086 4930 1 15 . 1 1 6 6 VAL H H 6 8.384 8.384 8.619 -0.235 25086 4931 1 15 . 1 1 7 7 LYS N N 7 128.341 128.341 128.968 -0.627 25086 4932 1 15 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.780 0.185 25086 4933 1 15 . 1 1 7 7 LYS C C 7 174.655 174.655 174.686 -0.031 25086 4934 1 15 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.559 0.050 25086 4935 1 15 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.715 0.859 25086 4936 1 15 . 1 1 7 7 LYS H H 7 9.042 9.042 8.674 0.368 25086 4937 1 15 . 1 1 8 8 ARG N N 8 120.527 120.527 121.419 -0.892 25086 4938 1 15 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.717 -0.353 25086 4939 1 15 . 1 1 8 8 ARG C C 8 174.148 174.148 175.563 -1.415 25086 4940 1 15 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.934 0.242 25086 4941 1 15 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.717 -0.211 25086 4942 1 15 . 1 1 8 8 ARG H H 8 8.791 8.791 8.666 0.125 25086 4943 1 15 . 1 1 9 9 TRP N N 9 131.164 131.164 130.693 0.471 25086 4944 1 15 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.768 -0.116 25086 4945 1 15 . 1 1 9 9 TRP C C 9 176.351 176.351 175.395 0.956 25086 4946 1 15 . 1 1 9 9 TRP CA C 9 53.037 53.037 55.008 -1.971 25086 4947 1 15 . 1 1 9 9 TRP CB C 9 28.066 28.066 30.075 -2.009 25086 4948 1 15 . 1 1 9 9 TRP H H 9 8.994 8.994 9.229 -0.235 25086 4949 1 15 . 1 1 10 10 GLY N N 10 117.757 117.757 117.955 -0.198 25086 4950 1 15 . 1 1 10 10 GLY C C 10 173.798 173.798 173.744 0.054 25086 4951 1 15 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.722 0.602 25086 4952 1 15 . 1 1 10 10 GLY H H 10 9.134 9.134 8.369 0.765 25086 4953 1 15 . 1 1 11 11 ASN N N 11 125.396 125.396 122.703 2.693 25086 4954 1 15 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.812 -0.043 25086 4955 1 15 . 1 1 11 11 ASN C C 11 175.190 175.190 174.529 0.661 25086 4956 1 15 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.562 0.180 25086 4957 1 15 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.534 0.776 25086 4958 1 15 . 1 1 11 11 ASN H H 11 8.667 8.667 8.449 0.218 25086 4959 1 15 . 1 1 12 12 SER N N 12 115.939 115.939 116.437 -0.498 25086 4960 1 15 . 1 1 12 12 SER HA H 12 5.038 5.038 4.859 0.179 25086 4961 1 15 . 1 1 12 12 SER CA C 12 56.293 56.293 55.392 0.900 25086 4962 1 15 . 1 1 12 12 SER CB C 12 65.254 65.254 64.291 0.963 25086 4963 1 15 . 1 1 12 12 SER H H 12 7.798 7.798 7.769 0.029 25086 4964 1 15 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.754 0.109 25086 4965 1 15 . 1 1 13 13 PRO C C 13 177.322 177.322 176.090 1.232 25086 4966 1 15 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.959 -0.830 25086 4967 1 15 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.271 1.347 25086 4968 1 15 . 1 1 14 14 ALA N N 14 125.096 125.096 129.797 -4.701 25086 4969 1 15 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.878 0.411 25086 4970 1 15 . 1 1 14 14 ALA C C 14 174.888 174.888 175.432 -0.544 25086 4971 1 15 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.332 0.438 25086 4972 1 15 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.529 1.742 25086 4973 1 15 . 1 1 14 14 ALA H H 14 9.419 9.419 9.189 0.230 25086 4974 1 15 . 1 1 15 15 VAL N N 15 116.316 116.316 123.356 -7.040 25086 4975 1 15 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.332 0.409 25086 4976 1 15 . 1 1 15 15 VAL C C 15 175.375 175.375 176.391 -1.016 25086 4977 1 15 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.377 -1.545 25086 4978 1 15 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.439 2.102 25086 4979 1 15 . 1 1 15 15 VAL H H 15 8.491 8.491 8.584 -0.093 25086 4980 1 15 . 1 1 16 16 ARG N N 16 125.595 125.595 127.410 -1.815 25086 4981 1 15 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.320 0.413 25086 4982 1 15 . 1 1 16 16 ARG C C 16 176.071 176.071 175.886 0.185 25086 4983 1 15 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.561 0.643 25086 4984 1 15 . 1 1 16 16 ARG CB C 16 30.493 30.493 29.893 0.600 25086 4985 1 15 . 1 1 16 16 ARG H H 16 8.812 8.812 8.545 0.267 25086 4986 1 15 . 1 1 17 17 ILE N N 17 123.572 123.572 127.146 -3.574 25086 4987 1 15 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.262 0.133 25086 4988 1 15 . 1 1 17 17 ILE CA C 17 56.591 56.591 58.199 -1.608 25086 4989 1 15 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.693 0.088 25086 4990 1 15 . 1 1 17 17 ILE H H 17 8.020 8.020 8.167 -0.147 25086 4991 1 15 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.405 -0.014 25086 4992 1 15 . 1 1 18 18 PRO C C 18 177.860 177.860 177.246 0.614 25086 4993 1 15 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.786 0.082 25086 4994 1 15 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.234 0.602 25086 4995 1 15 . 1 1 19 19 ALA N N 19 128.602 128.602 128.983 -0.381 25086 4996 1 15 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.026 -0.088 25086 4997 1 15 . 1 1 19 19 ALA C C 19 180.059 180.059 179.413 0.646 25086 4998 1 15 . 1 1 19 19 ALA CA C 19 55.875 55.875 54.964 0.911 25086 4999 1 15 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.242 0.058 25086 5000 1 15 . 1 1 19 19 ALA H H 19 8.975 8.975 8.761 0.214 25086 5001 1 15 . 1 1 20 20 THR N N 20 108.352 108.352 115.716 -7.364 25086 5002 1 15 . 1 1 20 20 THR HA H 20 4.041 4.041 4.222 -0.181 25086 5003 1 15 . 1 1 20 20 THR C C 20 177.381 177.381 176.365 1.016 25086 5004 1 15 . 1 1 20 20 THR CA C 20 64.688 64.688 66.788 -2.100 25086 5005 1 15 . 1 1 20 20 THR CB C 20 68.155 68.155 68.438 -0.283 25086 5006 1 15 . 1 1 20 20 THR H H 20 8.263 8.263 8.287 -0.024 25086 5007 1 15 . 1 1 21 21 LEU N N 21 121.199 121.199 121.068 0.131 25086 5008 1 15 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.264 -0.038 25086 5009 1 15 . 1 1 21 21 LEU C C 21 178.002 178.002 178.382 -0.380 25086 5010 1 15 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.250 -0.307 25086 5011 1 15 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.201 -0.169 25086 5012 1 15 . 1 1 21 21 LEU H H 21 7.040 7.040 7.883 -0.843 25086 5013 1 15 . 1 1 22 22 MET N N 22 117.150 117.150 118.533 -1.383 25086 5014 1 15 . 1 1 22 22 MET HA H 22 4.019 4.019 3.963 0.056 25086 5015 1 15 . 1 1 22 22 MET C C 22 178.951 178.951 178.812 0.139 25086 5016 1 15 . 1 1 22 22 MET CA C 22 57.881 57.881 58.438 -0.557 25086 5017 1 15 . 1 1 22 22 MET CB C 22 30.803 30.803 31.238 -0.436 25086 5018 1 15 . 1 1 22 22 MET H H 22 7.415 7.415 7.636 -0.221 25086 5019 1 15 . 1 1 23 23 GLN N N 23 116.690 116.690 117.316 -0.626 25086 5020 1 15 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.051 0.109 25086 5021 1 15 . 1 1 23 23 GLN C C 23 179.589 179.589 178.907 0.682 25086 5022 1 15 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.588 -0.073 25086 5023 1 15 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.381 -0.093 25086 5024 1 15 . 1 1 23 23 GLN H H 23 7.953 7.953 8.484 -0.531 25086 5025 1 15 . 1 1 24 24 ALA N N 24 122.104 122.104 121.808 0.296 25086 5026 1 15 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.194 -0.086 25086 5027 1 15 . 1 1 24 24 ALA C C 24 179.010 179.010 178.817 0.193 25086 5028 1 15 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.296 0.449 25086 5029 1 15 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.755 -0.036 25086 5030 1 15 . 1 1 24 24 ALA H H 24 7.617 7.617 7.497 0.120 25086 5031 1 15 . 1 1 25 25 LEU N N 25 115.630 115.630 116.915 -1.285 25086 5032 1 15 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.393 -0.087 25086 5033 1 15 . 1 1 25 25 LEU C C 25 175.862 175.862 175.344 0.518 25086 5034 1 15 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.471 -0.462 25086 5035 1 15 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.183 1.434 25086 5036 1 15 . 1 1 25 25 LEU H H 25 7.381 7.381 7.868 -0.487 25086 5037 1 15 . 1 1 26 26 ASN N N 26 118.019 118.019 114.093 3.926 25086 5038 1 15 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.478 -0.189 25086 5039 1 15 . 1 1 26 26 ASN C C 26 173.478 173.478 174.680 -1.202 25086 5040 1 15 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.184 0.009 25086 5041 1 15 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.505 -0.147 25086 5042 1 15 . 1 1 26 26 ASN H H 26 7.966 7.966 7.490 0.476 25086 5043 1 15 . 1 1 27 27 LEU N N 27 118.539 118.539 113.845 4.694 25086 5044 1 15 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.721 -0.138 25086 5045 1 15 . 1 1 27 27 LEU C C 27 174.995 174.995 175.221 -0.226 25086 5046 1 15 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.861 -0.121 25086 5047 1 15 . 1 1 27 27 LEU CB C 27 46.165 46.165 43.985 2.180 25086 5048 1 15 . 1 1 27 27 LEU H H 27 8.023 8.023 7.816 0.207 25086 5049 1 15 . 1 1 28 28 ASN N N 28 121.416 121.416 116.981 4.435 25086 5050 1 15 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.920 -0.040 25086 5051 1 15 . 1 1 28 28 ASN C C 28 174.980 174.980 174.613 0.367 25086 5052 1 15 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.779 -0.435 25086 5053 1 15 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.628 0.925 25086 5054 1 15 . 1 1 28 28 ASN H H 28 8.889 8.889 8.221 0.668 25086 5055 1 15 . 1 1 29 29 ILE N N 29 120.022 120.022 121.560 -1.538 25086 5056 1 15 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.121 -0.794 25086 5057 1 15 . 1 1 29 29 ILE C C 29 176.499 176.499 176.415 0.084 25086 5058 1 15 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.736 0.508 25086 5059 1 15 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.851 -0.585 25086 5060 1 15 . 1 1 29 29 ILE H H 29 8.396 8.396 8.471 -0.075 25086 5061 1 15 . 1 1 30 30 ASP N N 30 121.326 121.326 121.526 -0.200 25086 5062 1 15 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.410 -0.009 25086 5063 1 15 . 1 1 30 30 ASP C C 30 175.994 175.994 175.386 0.608 25086 5064 1 15 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.132 2.811 25086 5065 1 15 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.239 -1.424 25086 5066 1 15 . 1 1 30 30 ASP H H 30 9.114 9.114 8.799 0.315 25086 5067 1 15 . 1 1 31 31 ASP N N 31 121.764 121.764 119.220 2.544 25086 5068 1 15 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.858 -0.165 25086 5069 1 15 . 1 1 31 31 ASP C C 31 175.904 175.904 175.239 0.665 25086 5070 1 15 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.653 1.639 25086 5071 1 15 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.560 -1.384 25086 5072 1 15 . 1 1 31 31 ASP H H 31 8.056 8.056 7.830 0.226 25086 5073 1 15 . 1 1 32 32 GLU N N 32 120.895 120.895 120.608 0.287 25086 5074 1 15 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.609 0.087 25086 5075 1 15 . 1 1 32 32 GLU C C 32 176.717 176.717 174.768 1.949 25086 5076 1 15 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.357 1.052 25086 5077 1 15 . 1 1 32 32 GLU CB C 32 31.304 31.304 31.419 -0.115 25086 5078 1 15 . 1 1 32 32 GLU H H 32 8.683 8.683 8.630 0.053 25086 5079 1 15 . 1 1 33 33 VAL N N 33 114.605 114.605 119.446 -4.841 25086 5080 1 15 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.398 0.608 25086 5081 1 15 . 1 1 33 33 VAL C C 33 173.447 173.447 174.580 -1.133 25086 5082 1 15 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.535 -1.107 25086 5083 1 15 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.857 0.907 25086 5084 1 15 . 1 1 33 33 VAL H H 33 8.423 8.423 8.332 0.091 25086 5085 1 15 . 1 1 34 34 LYS N N 34 122.276 122.276 123.486 -1.210 25086 5086 1 15 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.600 0.167 25086 5087 1 15 . 1 1 34 34 LYS C C 34 175.062 175.062 175.423 -0.361 25086 5088 1 15 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.181 -0.529 25086 5089 1 15 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.819 1.038 25086 5090 1 15 . 1 1 34 34 LYS H H 34 8.989 8.989 8.722 0.267 25086 5091 1 15 . 1 1 35 35 ILE N N 35 124.021 124.021 126.905 -2.884 25086 5092 1 15 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.470 0.584 25086 5093 1 15 . 1 1 35 35 ILE C C 35 174.111 174.111 175.298 -1.187 25086 5094 1 15 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.529 -0.291 25086 5095 1 15 . 1 1 35 35 ILE CB C 35 39.989 39.989 38.230 1.759 25086 5096 1 15 . 1 1 35 35 ILE H H 35 8.717 8.717 8.721 -0.004 25086 5097 1 15 . 1 1 36 36 ASP N N 36 126.126 126.126 128.868 -2.742 25086 5098 1 15 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.944 0.110 25086 5099 1 15 . 1 1 36 36 ASP C C 36 173.496 173.496 174.261 -0.765 25086 5100 1 15 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.635 -0.392 25086 5101 1 15 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.142 1.138 25086 5102 1 15 . 1 1 36 36 ASP H H 36 8.948 8.948 8.936 0.012 25086 5103 1 15 . 1 1 37 37 LEU N N 37 123.664 123.664 125.457 -1.793 25086 5104 1 15 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.092 0.109 25086 5105 1 15 . 1 1 37 37 LEU C C 37 175.865 175.865 175.778 0.087 25086 5106 1 15 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.108 -0.047 25086 5107 1 15 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.805 1.501 25086 5108 1 15 . 1 1 37 37 LEU H H 37 8.629 8.629 8.619 0.010 25086 5109 1 15 . 1 1 38 38 VAL N N 38 126.795 126.795 127.069 -0.274 25086 5110 1 15 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.332 -0.143 25086 5111 1 15 . 1 1 38 38 VAL C C 38 175.379 175.379 175.462 -0.083 25086 5112 1 15 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.423 0.057 25086 5113 1 15 . 1 1 38 38 VAL CB C 38 35.102 35.102 33.525 1.577 25086 5114 1 15 . 1 1 38 38 VAL H H 38 8.772 8.772 8.862 -0.090 25086 5115 1 15 . 1 1 39 39 ASP N N 39 127.355 127.355 128.647 -1.292 25086 5116 1 15 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.299 -0.078 25086 5117 1 15 . 1 1 39 39 ASP C C 39 175.944 175.944 176.701 -0.757 25086 5118 1 15 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.743 0.481 25086 5119 1 15 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.269 -0.263 25086 5120 1 15 . 1 1 39 39 ASP H H 39 9.154 9.154 9.171 -0.017 25086 5121 1 15 . 1 1 40 40 GLY N N 40 103.124 103.124 102.637 0.487 25086 5122 1 15 . 1 1 40 40 GLY C C 40 172.842 172.842 173.891 -1.049 25086 5123 1 15 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.028 1.034 25086 5124 1 15 . 1 1 40 40 GLY H H 40 8.425 8.425 8.275 0.150 25086 5125 1 15 . 1 1 41 41 LYS N N 41 117.155 117.155 121.214 -4.059 25086 5126 1 15 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.622 0.123 25086 5127 1 15 . 1 1 41 41 LYS C C 41 174.385 174.385 175.351 -0.966 25086 5128 1 15 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.218 0.272 25086 5129 1 15 . 1 1 41 41 LYS CB C 41 35.244 35.244 34.401 0.843 25086 5130 1 15 . 1 1 41 41 LYS H H 41 7.676 7.676 7.761 -0.085 25086 5131 1 15 . 1 1 42 42 LEU N N 42 119.938 119.938 126.094 -6.156 25086 5132 1 15 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.408 0.658 25086 5133 1 15 . 1 1 42 42 LEU C C 42 174.895 174.895 176.365 -1.470 25086 5134 1 15 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.546 -0.986 25086 5135 1 15 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.133 1.315 25086 5136 1 15 . 1 1 42 42 LEU H H 42 8.585 8.585 8.649 -0.064 25086 5137 1 15 . 1 1 43 43 ILE N N 43 123.764 123.764 126.848 -3.084 25086 5138 1 15 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.284 0.641 25086 5139 1 15 . 1 1 43 43 ILE C C 43 175.893 175.893 174.605 1.288 25086 5140 1 15 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.278 0.009 25086 5141 1 15 . 1 1 43 43 ILE CB C 43 39.178 39.178 37.371 1.807 25086 5142 1 15 . 1 1 43 43 ILE H H 43 9.075 9.075 8.679 0.396 25086 5143 1 15 . 1 1 44 44 ILE N N 44 126.815 126.815 130.187 -3.372 25086 5144 1 15 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.831 0.125 25086 5145 1 15 . 1 1 44 44 ILE C C 44 174.230 174.230 176.026 -1.796 25086 5146 1 15 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.873 0.345 25086 5147 1 15 . 1 1 44 44 ILE CB C 44 39.161 39.161 39.269 -0.108 25086 5148 1 15 . 1 1 44 44 ILE H H 44 9.411 9.411 8.491 0.920 25086 5149 1 15 . 1 1 45 45 GLU N N 45 126.742 126.742 127.734 -0.992 25086 5150 1 15 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.912 0.262 25086 5151 1 15 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.992 -1.041 25086 5152 1 15 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.364 1.502 25086 5153 1 15 . 1 1 45 45 GLU H H 45 8.929 8.929 8.927 0.002 25086 5154 1 15 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.579 -0.027 25086 5155 1 15 . 1 1 46 46 PRO C C 46 175.856 175.856 176.143 -0.287 25086 5156 1 15 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.090 1.125 25086 5157 1 15 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.796 -0.358 25086 5158 1 15 . 1 1 47 47 VAL N N 47 123.846 123.846 120.425 3.421 25086 5159 1 15 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.170 -0.153 25086 5160 1 15 . 1 1 47 47 VAL C C 47 175.776 175.776 175.176 0.600 25086 5161 1 15 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.228 1.428 25086 5162 1 15 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.139 0.132 25086 5163 1 15 . 1 1 47 47 VAL H H 47 7.893 7.893 7.930 -0.037 25086 5164 1 15 . 1 1 48 48 ARG N N 48 126.674 126.674 127.835 -1.161 25086 5165 1 15 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.330 0.076 25086 5166 1 15 . 1 1 48 48 ARG C C 48 175.887 175.887 176.212 -0.325 25086 5167 1 15 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.758 -0.238 25086 5168 1 15 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.883 -0.082 25086 5169 1 15 . 1 1 48 48 ARG H H 48 8.646 8.646 8.517 0.129 25086 5170 1 15 . 1 1 49 49 LYS N N 49 124.176 124.176 125.786 -1.610 25086 5171 1 15 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.365 -0.006 25086 5172 1 15 . 1 1 49 49 LYS C C 49 175.579 175.579 176.019 -0.440 25086 5173 1 15 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.052 0.118 25086 5174 1 15 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.868 1.350 25086 5175 1 15 . 1 1 49 49 LYS H H 49 8.563 8.563 8.597 -0.034 25086 5176 1 16 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.370 0.237 25086 5177 1 16 . 1 1 -15 -15 HIS C C -15 174.805 174.805 173.792 1.013 25086 5178 1 16 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.956 -0.858 25086 5179 1 16 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.007 0.373 25086 5180 1 16 . 1 1 -14 -14 LYS N N -14 122.750 122.750 126.144 -3.394 25086 5181 1 16 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.362 -0.119 25086 5182 1 16 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.207 0.943 25086 5183 1 16 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.251 1.097 25086 5184 1 16 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.529 0.456 25086 5185 1 16 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.078 0.276 25086 5186 1 16 . 1 1 -13 -13 VAL N N -13 121.546 121.546 118.150 3.396 25086 5187 1 16 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.033 -0.055 25086 5188 1 16 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.933 -0.322 25086 5189 1 16 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.197 -0.049 25086 5190 1 16 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.843 0.972 25086 5191 1 16 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.265 -0.167 25086 5192 1 16 . 1 1 -12 -12 HIS N N -12 123.329 123.329 117.027 6.302 25086 5193 1 16 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.505 -0.979 25086 5194 1 16 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 28.633 1.807 25086 5195 1 16 . 1 1 -12 -12 HIS H H -12 8.438 8.438 7.570 0.868 25086 5196 1 16 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.707 -0.101 25086 5197 1 16 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.124 -0.410 25086 5198 1 16 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.968 0.013 25086 5199 1 16 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.761 -0.856 25086 5200 1 16 . 1 1 -6 -6 MET N N -6 122.431 122.431 125.436 -3.005 25086 5201 1 16 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.385 0.068 25086 5202 1 16 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.626 0.465 25086 5203 1 16 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.287 0.371 25086 5204 1 16 . 1 1 -6 -6 MET CB C -6 32.952 32.952 33.218 -0.266 25086 5205 1 16 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.375 0.145 25086 5206 1 16 . 1 1 -5 -5 SER N N -5 116.616 116.616 113.926 2.690 25086 5207 1 16 . 1 1 -5 -5 SER HA H -5 4.444 4.444 3.519 0.925 25086 5208 1 16 . 1 1 -5 -5 SER C C -5 174.462 174.462 173.162 1.300 25086 5209 1 16 . 1 1 -5 -5 SER CA C -5 58.379 58.379 57.415 0.964 25086 5210 1 16 . 1 1 -5 -5 SER CB C -5 63.989 63.989 62.985 1.004 25086 5211 1 16 . 1 1 -5 -5 SER H H -5 8.410 8.410 6.847 1.563 25086 5212 1 16 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.813 -0.493 25086 5213 1 16 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.367 0.235 25086 5214 1 16 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.438 -0.240 25086 5215 1 16 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 55.964 -1.184 25086 5216 1 16 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.679 0.438 25086 5217 1 16 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.477 -0.048 25086 5218 1 16 . 1 1 -3 -3 ASP N N -3 119.793 119.793 117.547 2.246 25086 5219 1 16 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.662 -0.098 25086 5220 1 16 . 1 1 -3 -3 ASP C C -3 176.246 176.246 175.868 0.378 25086 5221 1 16 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.113 -0.384 25086 5222 1 16 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.236 -0.042 25086 5223 1 16 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.097 0.109 25086 5224 1 16 . 1 1 -2 -2 ASP N N -2 120.270 120.270 119.183 1.087 25086 5225 1 16 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.684 -0.117 25086 5226 1 16 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.842 0.211 25086 5227 1 16 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 53.882 0.856 25086 5228 1 16 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.789 -1.545 25086 5229 1 16 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.679 0.491 25086 5230 1 16 . 1 1 -1 -1 ASP N N -1 120.279 120.279 121.197 -0.918 25086 5231 1 16 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.526 0.064 25086 5232 1 16 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.224 0.082 25086 5233 1 16 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.962 -0.547 25086 5234 1 16 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.917 -0.813 25086 5235 1 16 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.935 0.290 25086 5236 1 16 . 1 1 0 0 LYS N N 0 121.408 121.408 122.928 -1.520 25086 5237 1 16 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.390 -0.005 25086 5238 1 16 . 1 1 0 0 LYS C C 0 177.017 177.017 176.383 0.634 25086 5239 1 16 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.111 -0.014 25086 5240 1 16 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.608 0.362 25086 5241 1 16 . 1 1 0 0 LYS H H 0 8.251 8.251 8.654 -0.403 25086 5242 1 16 . 1 1 1 1 GLY N N 1 109.054 109.054 108.101 0.953 25086 5243 1 16 . 1 1 1 1 GLY C C 1 173.630 173.630 173.038 0.592 25086 5244 1 16 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.761 0.524 25086 5245 1 16 . 1 1 1 1 GLY H H 1 8.370 8.370 8.393 -0.023 25086 5246 1 16 . 1 1 2 2 ILE N N 2 120.862 120.862 123.824 -2.962 25086 5247 1 16 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.168 0.129 25086 5248 1 16 . 1 1 2 2 ILE C C 2 175.993 175.993 175.490 0.503 25086 5249 1 16 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.126 -0.294 25086 5250 1 16 . 1 1 2 2 ILE CB C 2 39.733 39.733 37.785 1.948 25086 5251 1 16 . 1 1 2 2 ILE H H 2 8.579 8.579 8.252 0.327 25086 5252 1 16 . 1 1 3 3 HIS N N 3 124.483 124.483 127.348 -2.865 25086 5253 1 16 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.678 0.556 25086 5254 1 16 . 1 1 3 3 HIS C C 3 174.751 174.751 174.565 0.186 25086 5255 1 16 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.557 -1.272 25086 5256 1 16 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.782 -0.706 25086 5257 1 16 . 1 1 3 3 HIS H H 3 8.920 8.920 8.831 0.089 25086 5258 1 16 . 1 1 4 4 SER N N 4 117.417 117.417 117.693 -0.276 25086 5259 1 16 . 1 1 4 4 SER HA H 4 4.712 4.712 4.700 0.012 25086 5260 1 16 . 1 1 4 4 SER C C 4 174.112 174.112 172.918 1.194 25086 5261 1 16 . 1 1 4 4 SER CA C 4 56.102 56.102 57.748 -1.646 25086 5262 1 16 . 1 1 4 4 SER CB C 4 64.679 64.679 65.308 -0.629 25086 5263 1 16 . 1 1 4 4 SER H H 4 8.925 8.925 8.765 0.160 25086 5264 1 16 . 1 1 5 5 SER N N 5 114.372 114.372 116.314 -1.942 25086 5265 1 16 . 1 1 5 5 SER HA H 5 5.390 5.390 4.719 0.671 25086 5266 1 16 . 1 1 5 5 SER C C 5 173.075 173.075 173.011 0.064 25086 5267 1 16 . 1 1 5 5 SER CA C 5 57.153 57.153 58.094 -0.942 25086 5268 1 16 . 1 1 5 5 SER CB C 5 65.752 65.752 64.894 0.858 25086 5269 1 16 . 1 1 5 5 SER H H 5 8.623 8.623 8.236 0.387 25086 5270 1 16 . 1 1 6 6 VAL N N 6 121.311 121.311 121.453 -0.142 25086 5271 1 16 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.001 0.168 25086 5272 1 16 . 1 1 6 6 VAL C C 6 175.872 175.872 175.796 0.076 25086 5273 1 16 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.295 0.451 25086 5274 1 16 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.392 -0.895 25086 5275 1 16 . 1 1 6 6 VAL H H 6 8.384 8.384 8.601 -0.217 25086 5276 1 16 . 1 1 7 7 LYS N N 7 128.341 128.341 128.742 -0.401 25086 5277 1 16 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.777 0.188 25086 5278 1 16 . 1 1 7 7 LYS C C 7 174.655 174.655 174.812 -0.157 25086 5279 1 16 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.419 0.190 25086 5280 1 16 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.230 1.344 25086 5281 1 16 . 1 1 7 7 LYS H H 7 9.042 9.042 8.955 0.087 25086 5282 1 16 . 1 1 8 8 ARG N N 8 120.527 120.527 120.877 -0.350 25086 5283 1 16 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.690 -0.326 25086 5284 1 16 . 1 1 8 8 ARG C C 8 174.148 174.148 175.528 -1.380 25086 5285 1 16 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.916 0.260 25086 5286 1 16 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.770 -0.264 25086 5287 1 16 . 1 1 8 8 ARG H H 8 8.791 8.791 8.637 0.154 25086 5288 1 16 . 1 1 9 9 TRP N N 9 131.164 131.164 130.488 0.676 25086 5289 1 16 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.784 -0.132 25086 5290 1 16 . 1 1 9 9 TRP C C 9 176.351 176.351 175.401 0.950 25086 5291 1 16 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.735 -1.698 25086 5292 1 16 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.931 -1.865 25086 5293 1 16 . 1 1 9 9 TRP H H 9 8.994 8.994 9.272 -0.278 25086 5294 1 16 . 1 1 10 10 GLY N N 10 117.757 117.757 117.289 0.468 25086 5295 1 16 . 1 1 10 10 GLY C C 10 173.798 173.798 173.790 0.008 25086 5296 1 16 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.421 0.903 25086 5297 1 16 . 1 1 10 10 GLY H H 10 9.134 9.134 8.397 0.737 25086 5298 1 16 . 1 1 11 11 ASN N N 11 125.396 125.396 123.321 2.075 25086 5299 1 16 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.849 -0.080 25086 5300 1 16 . 1 1 11 11 ASN C C 11 175.190 175.190 174.402 0.788 25086 5301 1 16 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.632 0.110 25086 5302 1 16 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.603 0.707 25086 5303 1 16 . 1 1 11 11 ASN H H 11 8.667 8.667 8.632 0.035 25086 5304 1 16 . 1 1 12 12 SER N N 12 115.939 115.939 116.974 -1.035 25086 5305 1 16 . 1 1 12 12 SER HA H 12 5.038 5.038 4.996 0.042 25086 5306 1 16 . 1 1 12 12 SER CA C 12 56.293 56.293 55.362 0.931 25086 5307 1 16 . 1 1 12 12 SER CB C 12 65.254 65.254 64.041 1.213 25086 5308 1 16 . 1 1 12 12 SER H H 12 7.798 7.798 7.769 0.029 25086 5309 1 16 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.865 -0.002 25086 5310 1 16 . 1 1 13 13 PRO C C 13 177.322 177.322 176.136 1.186 25086 5311 1 16 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.816 -0.687 25086 5312 1 16 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.454 1.163 25086 5313 1 16 . 1 1 14 14 ALA N N 14 125.096 125.096 129.036 -3.940 25086 5314 1 16 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.948 0.341 25086 5315 1 16 . 1 1 14 14 ALA C C 14 174.888 174.888 175.403 -0.515 25086 5316 1 16 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.222 0.548 25086 5317 1 16 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.904 1.367 25086 5318 1 16 . 1 1 14 14 ALA H H 14 9.419 9.419 9.142 0.277 25086 5319 1 16 . 1 1 15 15 VAL N N 15 116.316 116.316 122.805 -6.489 25086 5320 1 16 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.376 0.365 25086 5321 1 16 . 1 1 15 15 VAL C C 15 175.375 175.375 176.133 -0.758 25086 5322 1 16 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.062 -1.230 25086 5323 1 16 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.332 2.209 25086 5324 1 16 . 1 1 15 15 VAL H H 15 8.491 8.491 8.592 -0.101 25086 5325 1 16 . 1 1 16 16 ARG N N 16 125.595 125.595 127.587 -1.992 25086 5326 1 16 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.263 0.470 25086 5327 1 16 . 1 1 16 16 ARG C C 16 176.071 176.071 175.819 0.252 25086 5328 1 16 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.564 0.640 25086 5329 1 16 . 1 1 16 16 ARG CB C 16 30.493 30.493 29.903 0.590 25086 5330 1 16 . 1 1 16 16 ARG H H 16 8.812 8.812 8.601 0.211 25086 5331 1 16 . 1 1 17 17 ILE N N 17 123.572 123.572 127.442 -3.870 25086 5332 1 16 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.269 0.126 25086 5333 1 16 . 1 1 17 17 ILE CA C 17 56.591 56.591 58.323 -1.732 25086 5334 1 16 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.616 0.165 25086 5335 1 16 . 1 1 17 17 ILE H H 17 8.020 8.020 8.209 -0.189 25086 5336 1 16 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.437 -0.046 25086 5337 1 16 . 1 1 18 18 PRO C C 18 177.860 177.860 177.119 0.741 25086 5338 1 16 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.515 0.353 25086 5339 1 16 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.616 0.220 25086 5340 1 16 . 1 1 19 19 ALA N N 19 128.602 128.602 128.059 0.543 25086 5341 1 16 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.048 -0.110 25086 5342 1 16 . 1 1 19 19 ALA C C 19 180.059 180.059 179.378 0.681 25086 5343 1 16 . 1 1 19 19 ALA CA C 19 55.875 55.875 54.730 1.145 25086 5344 1 16 . 1 1 19 19 ALA CB C 19 18.300 18.300 19.017 -0.717 25086 5345 1 16 . 1 1 19 19 ALA H H 19 8.975 8.975 8.536 0.439 25086 5346 1 16 . 1 1 20 20 THR N N 20 108.352 108.352 114.546 -6.194 25086 5347 1 16 . 1 1 20 20 THR HA H 20 4.041 4.041 3.966 0.075 25086 5348 1 16 . 1 1 20 20 THR C C 20 177.381 177.381 176.418 0.963 25086 5349 1 16 . 1 1 20 20 THR CA C 20 64.688 64.688 65.966 -1.278 25086 5350 1 16 . 1 1 20 20 THR CB C 20 68.155 68.155 68.540 -0.385 25086 5351 1 16 . 1 1 20 20 THR H H 20 8.263 8.263 7.932 0.331 25086 5352 1 16 . 1 1 21 21 LEU N N 21 121.199 121.199 121.321 -0.122 25086 5353 1 16 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.146 0.080 25086 5354 1 16 . 1 1 21 21 LEU C C 21 178.002 178.002 178.614 -0.612 25086 5355 1 16 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.447 -0.504 25086 5356 1 16 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.077 -0.045 25086 5357 1 16 . 1 1 21 21 LEU H H 21 7.040 7.040 7.709 -0.669 25086 5358 1 16 . 1 1 22 22 MET N N 22 117.150 117.150 117.935 -0.785 25086 5359 1 16 . 1 1 22 22 MET HA H 22 4.019 4.019 3.970 0.049 25086 5360 1 16 . 1 1 22 22 MET C C 22 178.951 178.951 178.850 0.101 25086 5361 1 16 . 1 1 22 22 MET CA C 22 57.881 57.881 58.526 -0.645 25086 5362 1 16 . 1 1 22 22 MET CB C 22 30.803 30.803 31.239 -0.436 25086 5363 1 16 . 1 1 22 22 MET H H 22 7.415 7.415 7.968 -0.553 25086 5364 1 16 . 1 1 23 23 GLN N N 23 116.690 116.690 116.852 -0.162 25086 5365 1 16 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.204 -0.044 25086 5366 1 16 . 1 1 23 23 GLN C C 23 179.589 179.589 178.013 1.576 25086 5367 1 16 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.137 0.378 25086 5368 1 16 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.556 -0.268 25086 5369 1 16 . 1 1 23 23 GLN H H 23 7.953 7.953 8.150 -0.197 25086 5370 1 16 . 1 1 24 24 ALA N N 24 122.104 122.104 121.026 1.078 25086 5371 1 16 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.272 -0.164 25086 5372 1 16 . 1 1 24 24 ALA C C 24 179.010 179.010 178.437 0.573 25086 5373 1 16 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.285 0.460 25086 5374 1 16 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.245 -0.526 25086 5375 1 16 . 1 1 24 24 ALA H H 24 7.617 7.617 7.668 -0.051 25086 5376 1 16 . 1 1 25 25 LEU N N 25 115.630 115.630 116.737 -1.107 25086 5377 1 16 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.356 -0.050 25086 5378 1 16 . 1 1 25 25 LEU C C 25 175.862 175.862 176.950 -1.088 25086 5379 1 16 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.570 -0.561 25086 5380 1 16 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.782 0.835 25086 5381 1 16 . 1 1 25 25 LEU H H 25 7.381 7.381 8.313 -0.932 25086 5382 1 16 . 1 1 26 26 ASN N N 26 118.019 118.019 117.618 0.401 25086 5383 1 16 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.355 -0.066 25086 5384 1 16 . 1 1 26 26 ASN C C 26 173.478 173.478 173.943 -0.465 25086 5385 1 16 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.130 0.063 25086 5386 1 16 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.721 0.637 25086 5387 1 16 . 1 1 26 26 ASN H H 26 7.966 7.966 7.704 0.262 25086 5388 1 16 . 1 1 27 27 LEU N N 27 118.539 118.539 114.490 4.049 25086 5389 1 16 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.937 -0.354 25086 5390 1 16 . 1 1 27 27 LEU C C 27 174.995 174.995 174.685 0.310 25086 5391 1 16 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.171 0.569 25086 5392 1 16 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.990 1.175 25086 5393 1 16 . 1 1 27 27 LEU H H 27 8.023 8.023 8.020 0.003 25086 5394 1 16 . 1 1 28 28 ASN N N 28 121.416 121.416 116.416 5.000 25086 5395 1 16 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.971 -0.091 25086 5396 1 16 . 1 1 28 28 ASN C C 28 174.980 174.980 174.596 0.384 25086 5397 1 16 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.860 -0.516 25086 5398 1 16 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.828 0.725 25086 5399 1 16 . 1 1 28 28 ASN H H 28 8.889 8.889 8.395 0.494 25086 5400 1 16 . 1 1 29 29 ILE N N 29 120.022 120.022 121.411 -1.389 25086 5401 1 16 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.103 -0.776 25086 5402 1 16 . 1 1 29 29 ILE C C 29 176.499 176.499 177.001 -0.502 25086 5403 1 16 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.991 0.253 25086 5404 1 16 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.964 -0.698 25086 5405 1 16 . 1 1 29 29 ILE H H 29 8.396 8.396 8.468 -0.072 25086 5406 1 16 . 1 1 30 30 ASP N N 30 121.326 121.326 123.003 -1.677 25086 5407 1 16 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.390 0.011 25086 5408 1 16 . 1 1 30 30 ASP C C 30 175.994 175.994 175.024 0.970 25086 5409 1 16 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.055 2.888 25086 5410 1 16 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.589 -1.774 25086 5411 1 16 . 1 1 30 30 ASP H H 30 9.114 9.114 8.744 0.370 25086 5412 1 16 . 1 1 31 31 ASP N N 31 121.764 121.764 119.742 2.022 25086 5413 1 16 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.714 -0.021 25086 5414 1 16 . 1 1 31 31 ASP C C 31 175.904 175.904 175.770 0.134 25086 5415 1 16 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.926 1.365 25086 5416 1 16 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.482 -1.306 25086 5417 1 16 . 1 1 31 31 ASP H H 31 8.056 8.056 7.825 0.231 25086 5418 1 16 . 1 1 32 32 GLU N N 32 120.895 120.895 122.543 -1.648 25086 5419 1 16 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.425 0.271 25086 5420 1 16 . 1 1 32 32 GLU C C 32 176.717 176.717 175.100 1.617 25086 5421 1 16 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.145 0.264 25086 5422 1 16 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.605 0.699 25086 5423 1 16 . 1 1 32 32 GLU H H 32 8.683 8.683 8.476 0.207 25086 5424 1 16 . 1 1 33 33 VAL N N 33 114.605 114.605 118.502 -3.897 25086 5425 1 16 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.429 0.577 25086 5426 1 16 . 1 1 33 33 VAL C C 33 173.447 173.447 174.629 -1.182 25086 5427 1 16 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.301 -0.873 25086 5428 1 16 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.972 0.792 25086 5429 1 16 . 1 1 33 33 VAL H H 33 8.423 8.423 8.136 0.287 25086 5430 1 16 . 1 1 34 34 LYS N N 34 122.276 122.276 122.801 -0.525 25086 5431 1 16 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.608 0.159 25086 5432 1 16 . 1 1 34 34 LYS C C 34 175.062 175.062 175.313 -0.251 25086 5433 1 16 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.221 -0.570 25086 5434 1 16 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.439 0.418 25086 5435 1 16 . 1 1 34 34 LYS H H 34 8.989 8.989 8.257 0.732 25086 5436 1 16 . 1 1 35 35 ILE N N 35 124.021 124.021 126.177 -2.156 25086 5437 1 16 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.382 0.672 25086 5438 1 16 . 1 1 35 35 ILE C C 35 174.111 174.111 175.321 -1.210 25086 5439 1 16 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.316 -0.078 25086 5440 1 16 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.807 2.182 25086 5441 1 16 . 1 1 35 35 ILE H H 35 8.717 8.717 8.648 0.069 25086 5442 1 16 . 1 1 36 36 ASP N N 36 126.126 126.126 128.827 -2.701 25086 5443 1 16 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.959 0.095 25086 5444 1 16 . 1 1 36 36 ASP C C 36 173.496 173.496 174.421 -0.925 25086 5445 1 16 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.186 -0.943 25086 5446 1 16 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.599 1.681 25086 5447 1 16 . 1 1 36 36 ASP H H 36 8.948 8.948 8.766 0.182 25086 5448 1 16 . 1 1 37 37 LEU N N 37 123.664 123.664 124.509 -0.845 25086 5449 1 16 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.973 0.228 25086 5450 1 16 . 1 1 37 37 LEU C C 37 175.865 175.865 175.912 -0.047 25086 5451 1 16 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.816 0.245 25086 5452 1 16 . 1 1 37 37 LEU CB C 37 44.306 44.306 43.151 1.155 25086 5453 1 16 . 1 1 37 37 LEU H H 37 8.629 8.629 8.638 -0.009 25086 5454 1 16 . 1 1 38 38 VAL N N 38 126.795 126.795 126.679 0.116 25086 5455 1 16 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.314 -0.125 25086 5456 1 16 . 1 1 38 38 VAL C C 38 175.379 175.379 175.224 0.155 25086 5457 1 16 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.794 -0.314 25086 5458 1 16 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.658 0.444 25086 5459 1 16 . 1 1 38 38 VAL H H 38 8.772 8.772 8.693 0.079 25086 5460 1 16 . 1 1 39 39 ASP N N 39 127.355 127.355 128.014 -0.659 25086 5461 1 16 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.315 -0.094 25086 5462 1 16 . 1 1 39 39 ASP C C 39 175.944 175.944 176.405 -0.461 25086 5463 1 16 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.335 -0.111 25086 5464 1 16 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.079 -0.073 25086 5465 1 16 . 1 1 39 39 ASP H H 39 9.154 9.154 9.188 -0.034 25086 5466 1 16 . 1 1 40 40 GLY N N 40 103.124 103.124 104.084 -0.960 25086 5467 1 16 . 1 1 40 40 GLY C C 40 172.842 172.842 173.877 -1.035 25086 5468 1 16 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.158 0.903 25086 5469 1 16 . 1 1 40 40 GLY H H 40 8.425 8.425 8.196 0.229 25086 5470 1 16 . 1 1 41 41 LYS N N 41 117.155 117.155 119.869 -2.714 25086 5471 1 16 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.680 0.065 25086 5472 1 16 . 1 1 41 41 LYS C C 41 174.385 174.385 174.909 -0.524 25086 5473 1 16 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.876 0.614 25086 5474 1 16 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.189 0.055 25086 5475 1 16 . 1 1 41 41 LYS H H 41 7.676 7.676 8.175 -0.499 25086 5476 1 16 . 1 1 42 42 LEU N N 42 119.938 119.938 123.281 -3.343 25086 5477 1 16 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.428 0.638 25086 5478 1 16 . 1 1 42 42 LEU C C 42 174.895 174.895 176.700 -1.805 25086 5479 1 16 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.608 -1.048 25086 5480 1 16 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.331 1.117 25086 5481 1 16 . 1 1 42 42 LEU H H 42 8.585 8.585 8.614 -0.029 25086 5482 1 16 . 1 1 43 43 ILE N N 43 123.764 123.764 126.428 -2.664 25086 5483 1 16 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.332 0.593 25086 5484 1 16 . 1 1 43 43 ILE C C 43 175.893 175.893 174.560 1.333 25086 5485 1 16 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.597 -0.310 25086 5486 1 16 . 1 1 43 43 ILE CB C 43 39.178 39.178 37.340 1.839 25086 5487 1 16 . 1 1 43 43 ILE H H 43 9.075 9.075 8.996 0.079 25086 5488 1 16 . 1 1 44 44 ILE N N 44 126.815 126.815 128.951 -2.136 25086 5489 1 16 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.781 0.175 25086 5490 1 16 . 1 1 44 44 ILE C C 44 174.230 174.230 176.006 -1.776 25086 5491 1 16 . 1 1 44 44 ILE CA C 44 60.218 60.218 60.564 -0.346 25086 5492 1 16 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.838 0.323 25086 5493 1 16 . 1 1 44 44 ILE H H 44 9.411 9.411 8.416 0.995 25086 5494 1 16 . 1 1 45 45 GLU N N 45 126.742 126.742 130.162 -3.420 25086 5495 1 16 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.899 0.275 25086 5496 1 16 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.441 -0.490 25086 5497 1 16 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.505 1.361 25086 5498 1 16 . 1 1 45 45 GLU H H 45 8.929 8.929 8.315 0.614 25086 5499 1 16 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.499 0.053 25086 5500 1 16 . 1 1 46 46 PRO C C 46 175.856 175.856 176.071 -0.215 25086 5501 1 16 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.271 0.944 25086 5502 1 16 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.734 -0.296 25086 5503 1 16 . 1 1 47 47 VAL N N 47 123.846 123.846 120.489 3.357 25086 5504 1 16 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.179 -0.162 25086 5505 1 16 . 1 1 47 47 VAL C C 47 175.776 175.776 175.408 0.368 25086 5506 1 16 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.028 1.628 25086 5507 1 16 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.001 0.270 25086 5508 1 16 . 1 1 47 47 VAL H H 47 7.893 7.893 7.962 -0.069 25086 5509 1 16 . 1 1 48 48 ARG N N 48 126.674 126.674 127.953 -1.279 25086 5510 1 16 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.378 0.028 25086 5511 1 16 . 1 1 48 48 ARG C C 48 175.887 175.887 175.844 0.043 25086 5512 1 16 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.905 -0.385 25086 5513 1 16 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.724 0.077 25086 5514 1 16 . 1 1 48 48 ARG H H 48 8.646 8.646 8.314 0.332 25086 5515 1 16 . 1 1 49 49 LYS N N 49 124.176 124.176 123.112 1.064 25086 5516 1 16 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.379 -0.020 25086 5517 1 16 . 1 1 49 49 LYS C C 49 175.579 175.579 176.259 -0.680 25086 5518 1 16 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.381 0.789 25086 5519 1 16 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.077 2.141 25086 5520 1 16 . 1 1 49 49 LYS H H 49 8.563 8.563 8.412 0.151 25086 5521 1 17 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.607 0.000 25086 5522 1 17 . 1 1 -15 -15 HIS C C -15 174.805 174.805 175.159 -0.354 25086 5523 1 17 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.203 -0.105 25086 5524 1 17 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.373 0.007 25086 5525 1 17 . 1 1 -14 -14 LYS N N -14 122.750 122.750 127.134 -4.384 25086 5526 1 17 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.232 0.011 25086 5527 1 17 . 1 1 -14 -14 LYS C C -14 176.150 176.150 176.717 -0.567 25086 5528 1 17 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 58.160 -1.812 25086 5529 1 17 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.397 0.588 25086 5530 1 17 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.567 -0.213 25086 5531 1 17 . 1 1 -13 -13 VAL N N -13 121.546 121.546 117.779 3.767 25086 5532 1 17 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.923 0.055 25086 5533 1 17 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.069 -0.458 25086 5534 1 17 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 64.226 -2.078 25086 5535 1 17 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.878 0.937 25086 5536 1 17 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.208 -0.110 25086 5537 1 17 . 1 1 -12 -12 HIS N N -12 123.329 123.329 117.032 6.297 25086 5538 1 17 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 55.392 0.134 25086 5539 1 17 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 30.675 -0.235 25086 5540 1 17 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.090 0.348 25086 5541 1 17 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.699 -0.093 25086 5542 1 17 . 1 1 -7 -7 HIS C C -7 174.714 174.714 175.401 -0.687 25086 5543 1 17 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 56.125 -0.144 25086 5544 1 17 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.942 -1.037 25086 5545 1 17 . 1 1 -6 -6 MET N N -6 122.431 122.431 122.680 -0.249 25086 5546 1 17 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.757 -0.304 25086 5547 1 17 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.153 0.938 25086 5548 1 17 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.463 0.195 25086 5549 1 17 . 1 1 -6 -6 MET CB C -6 32.952 32.952 33.291 -0.339 25086 5550 1 17 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.729 -0.209 25086 5551 1 17 . 1 1 -5 -5 SER N N -5 116.616 116.616 117.088 -0.472 25086 5552 1 17 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.622 -0.178 25086 5553 1 17 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.528 -0.066 25086 5554 1 17 . 1 1 -5 -5 SER CA C -5 58.379 58.379 58.694 -0.315 25086 5555 1 17 . 1 1 -5 -5 SER CB C -5 63.989 63.989 63.805 0.184 25086 5556 1 17 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.870 -0.460 25086 5557 1 17 . 1 1 -4 -4 ASP N N -4 122.320 122.320 121.049 1.271 25086 5558 1 17 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.560 0.042 25086 5559 1 17 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.646 -0.448 25086 5560 1 17 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 54.838 -0.058 25086 5561 1 17 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.405 -0.288 25086 5562 1 17 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.270 0.159 25086 5563 1 17 . 1 1 -3 -3 ASP N N -3 119.793 119.793 117.999 1.794 25086 5564 1 17 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.495 0.069 25086 5565 1 17 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.057 -0.811 25086 5566 1 17 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.762 -1.033 25086 5567 1 17 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.707 0.487 25086 5568 1 17 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.317 -0.111 25086 5569 1 17 . 1 1 -2 -2 ASP N N -2 120.270 120.270 119.999 0.271 25086 5570 1 17 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.492 0.075 25086 5571 1 17 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.182 -0.129 25086 5572 1 17 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.786 -1.048 25086 5573 1 17 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.546 -0.302 25086 5574 1 17 . 1 1 -2 -2 ASP H H -2 8.170 8.170 8.139 0.031 25086 5575 1 17 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.453 0.826 25086 5576 1 17 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.619 -0.029 25086 5577 1 17 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.153 0.153 25086 5578 1 17 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.410 0.005 25086 5579 1 17 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.882 0.222 25086 5580 1 17 . 1 1 -1 -1 ASP H H -1 8.225 8.225 8.498 -0.273 25086 5581 1 17 . 1 1 0 0 LYS N N 0 121.408 121.408 124.103 -2.695 25086 5582 1 17 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.435 -0.050 25086 5583 1 17 . 1 1 0 0 LYS C C 0 177.017 177.017 176.052 0.965 25086 5584 1 17 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.929 0.168 25086 5585 1 17 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.298 -0.329 25086 5586 1 17 . 1 1 0 0 LYS H H 0 8.251 8.251 7.804 0.447 25086 5587 1 17 . 1 1 1 1 GLY N N 1 109.054 109.054 110.371 -1.317 25086 5588 1 17 . 1 1 1 1 GLY C C 1 173.630 173.630 173.583 0.047 25086 5589 1 17 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.502 0.783 25086 5590 1 17 . 1 1 1 1 GLY H H 1 8.370 8.370 7.959 0.411 25086 5591 1 17 . 1 1 2 2 ILE N N 2 120.862 120.862 123.588 -2.726 25086 5592 1 17 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.121 0.176 25086 5593 1 17 . 1 1 2 2 ILE C C 2 175.993 175.993 175.532 0.461 25086 5594 1 17 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.954 -0.122 25086 5595 1 17 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.923 0.810 25086 5596 1 17 . 1 1 2 2 ILE H H 2 8.579 8.579 8.151 0.428 25086 5597 1 17 . 1 1 3 3 HIS N N 3 124.483 124.483 125.802 -1.319 25086 5598 1 17 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.824 0.410 25086 5599 1 17 . 1 1 3 3 HIS C C 3 174.751 174.751 174.456 0.295 25086 5600 1 17 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.235 -0.950 25086 5601 1 17 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.913 -0.837 25086 5602 1 17 . 1 1 3 3 HIS H H 3 8.920 8.920 8.570 0.350 25086 5603 1 17 . 1 1 4 4 SER N N 4 117.417 117.417 117.256 0.161 25086 5604 1 17 . 1 1 4 4 SER HA H 4 4.712 4.712 4.814 -0.102 25086 5605 1 17 . 1 1 4 4 SER C C 4 174.112 174.112 172.971 1.141 25086 5606 1 17 . 1 1 4 4 SER CA C 4 56.102 56.102 57.620 -1.518 25086 5607 1 17 . 1 1 4 4 SER CB C 4 64.679 64.679 64.735 -0.056 25086 5608 1 17 . 1 1 4 4 SER H H 4 8.925 8.925 8.694 0.231 25086 5609 1 17 . 1 1 5 5 SER N N 5 114.372 114.372 116.998 -2.626 25086 5610 1 17 . 1 1 5 5 SER HA H 5 5.390 5.390 4.780 0.610 25086 5611 1 17 . 1 1 5 5 SER C C 5 173.075 173.075 172.751 0.324 25086 5612 1 17 . 1 1 5 5 SER CA C 5 57.153 57.153 57.831 -0.678 25086 5613 1 17 . 1 1 5 5 SER CB C 5 65.752 65.752 65.708 0.044 25086 5614 1 17 . 1 1 5 5 SER H H 5 8.623 8.623 8.188 0.435 25086 5615 1 17 . 1 1 6 6 VAL N N 6 121.311 121.311 121.968 -0.657 25086 5616 1 17 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.096 0.073 25086 5617 1 17 . 1 1 6 6 VAL C C 6 175.872 175.872 175.873 -0.001 25086 5618 1 17 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.539 0.207 25086 5619 1 17 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.897 -0.400 25086 5620 1 17 . 1 1 6 6 VAL H H 6 8.384 8.384 8.561 -0.177 25086 5621 1 17 . 1 1 7 7 LYS N N 7 128.341 128.341 129.221 -0.880 25086 5622 1 17 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.775 0.190 25086 5623 1 17 . 1 1 7 7 LYS C C 7 174.655 174.655 174.833 -0.178 25086 5624 1 17 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.695 -0.086 25086 5625 1 17 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.636 0.938 25086 5626 1 17 . 1 1 7 7 LYS H H 7 9.042 9.042 8.512 0.530 25086 5627 1 17 . 1 1 8 8 ARG N N 8 120.527 120.527 121.448 -0.921 25086 5628 1 17 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.687 -0.323 25086 5629 1 17 . 1 1 8 8 ARG C C 8 174.148 174.148 175.585 -1.437 25086 5630 1 17 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.938 0.238 25086 5631 1 17 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.537 -0.031 25086 5632 1 17 . 1 1 8 8 ARG H H 8 8.791 8.791 8.655 0.136 25086 5633 1 17 . 1 1 9 9 TRP N N 9 131.164 131.164 130.457 0.707 25086 5634 1 17 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.720 -0.068 25086 5635 1 17 . 1 1 9 9 TRP C C 9 176.351 176.351 175.999 0.352 25086 5636 1 17 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.943 -1.906 25086 5637 1 17 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.389 -1.323 25086 5638 1 17 . 1 1 9 9 TRP H H 9 8.994 8.994 9.179 -0.185 25086 5639 1 17 . 1 1 10 10 GLY N N 10 117.757 117.757 117.750 0.007 25086 5640 1 17 . 1 1 10 10 GLY C C 10 173.798 173.798 173.821 -0.023 25086 5641 1 17 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.413 0.911 25086 5642 1 17 . 1 1 10 10 GLY H H 10 9.134 9.134 8.227 0.907 25086 5643 1 17 . 1 1 11 11 ASN N N 11 125.396 125.396 122.148 3.248 25086 5644 1 17 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.872 -0.103 25086 5645 1 17 . 1 1 11 11 ASN C C 11 175.190 175.190 174.630 0.560 25086 5646 1 17 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.652 0.090 25086 5647 1 17 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.376 0.934 25086 5648 1 17 . 1 1 11 11 ASN H H 11 8.667 8.667 8.660 0.007 25086 5649 1 17 . 1 1 12 12 SER N N 12 115.939 115.939 117.107 -1.168 25086 5650 1 17 . 1 1 12 12 SER HA H 12 5.038 5.038 4.971 0.067 25086 5651 1 17 . 1 1 12 12 SER CA C 12 56.293 56.293 55.479 0.814 25086 5652 1 17 . 1 1 12 12 SER CB C 12 65.254 65.254 64.437 0.817 25086 5653 1 17 . 1 1 12 12 SER H H 12 7.798 7.798 7.739 0.059 25086 5654 1 17 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.907 -0.044 25086 5655 1 17 . 1 1 13 13 PRO C C 13 177.322 177.322 176.062 1.260 25086 5656 1 17 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.498 -0.369 25086 5657 1 17 . 1 1 13 13 PRO CB C 13 32.618 32.618 32.140 0.478 25086 5658 1 17 . 1 1 14 14 ALA N N 14 125.096 125.096 128.432 -3.336 25086 5659 1 17 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.851 0.438 25086 5660 1 17 . 1 1 14 14 ALA C C 14 174.888 174.888 175.458 -0.570 25086 5661 1 17 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.444 0.326 25086 5662 1 17 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.679 1.592 25086 5663 1 17 . 1 1 14 14 ALA H H 14 9.419 9.419 9.147 0.272 25086 5664 1 17 . 1 1 15 15 VAL N N 15 116.316 116.316 122.599 -6.283 25086 5665 1 17 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.266 0.475 25086 5666 1 17 . 1 1 15 15 VAL C C 15 175.375 175.375 175.948 -0.573 25086 5667 1 17 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.175 -1.343 25086 5668 1 17 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.079 2.462 25086 5669 1 17 . 1 1 15 15 VAL H H 15 8.491 8.491 8.476 0.015 25086 5670 1 17 . 1 1 16 16 ARG N N 16 125.595 125.595 126.770 -1.175 25086 5671 1 17 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.364 0.369 25086 5672 1 17 . 1 1 16 16 ARG C C 16 176.071 176.071 175.206 0.865 25086 5673 1 17 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.954 0.250 25086 5674 1 17 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.812 -0.319 25086 5675 1 17 . 1 1 16 16 ARG H H 16 8.812 8.812 8.442 0.370 25086 5676 1 17 . 1 1 17 17 ILE N N 17 123.572 123.572 128.289 -4.717 25086 5677 1 17 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.415 -0.020 25086 5678 1 17 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.804 -1.213 25086 5679 1 17 . 1 1 17 17 ILE CB C 17 38.781 38.781 39.316 -0.535 25086 5680 1 17 . 1 1 17 17 ILE H H 17 8.020 8.020 8.274 -0.254 25086 5681 1 17 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.515 -0.124 25086 5682 1 17 . 1 1 18 18 PRO C C 18 177.860 177.860 177.403 0.457 25086 5683 1 17 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.456 0.412 25086 5684 1 17 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.396 0.440 25086 5685 1 17 . 1 1 19 19 ALA N N 19 128.602 128.602 127.740 0.862 25086 5686 1 17 . 1 1 19 19 ALA HA H 19 3.938 3.938 3.994 -0.056 25086 5687 1 17 . 1 1 19 19 ALA C C 19 180.059 180.059 179.664 0.395 25086 5688 1 17 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.030 0.845 25086 5689 1 17 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.186 0.114 25086 5690 1 17 . 1 1 19 19 ALA H H 19 8.975 8.975 8.783 0.192 25086 5691 1 17 . 1 1 20 20 THR N N 20 108.352 108.352 115.362 -7.010 25086 5692 1 17 . 1 1 20 20 THR HA H 20 4.041 4.041 4.003 0.038 25086 5693 1 17 . 1 1 20 20 THR C C 20 177.381 177.381 176.471 0.910 25086 5694 1 17 . 1 1 20 20 THR CA C 20 64.688 64.688 65.983 -1.295 25086 5695 1 17 . 1 1 20 20 THR CB C 20 68.155 68.155 68.385 -0.230 25086 5696 1 17 . 1 1 20 20 THR H H 20 8.263 8.263 8.163 0.100 25086 5697 1 17 . 1 1 21 21 LEU N N 21 121.199 121.199 121.571 -0.372 25086 5698 1 17 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.207 0.019 25086 5699 1 17 . 1 1 21 21 LEU C C 21 178.002 178.002 178.676 -0.674 25086 5700 1 17 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.383 -0.440 25086 5701 1 17 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.181 -0.149 25086 5702 1 17 . 1 1 21 21 LEU H H 21 7.040 7.040 7.744 -0.704 25086 5703 1 17 . 1 1 22 22 MET N N 22 117.150 117.150 118.319 -1.169 25086 5704 1 17 . 1 1 22 22 MET HA H 22 4.019 4.019 3.974 0.045 25086 5705 1 17 . 1 1 22 22 MET C C 22 178.951 178.951 178.905 0.046 25086 5706 1 17 . 1 1 22 22 MET CA C 22 57.881 57.881 58.450 -0.570 25086 5707 1 17 . 1 1 22 22 MET CB C 22 30.803 30.803 31.140 -0.337 25086 5708 1 17 . 1 1 22 22 MET H H 22 7.415 7.415 7.864 -0.449 25086 5709 1 17 . 1 1 23 23 GLN N N 23 116.690 116.690 117.291 -0.601 25086 5710 1 17 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.124 0.036 25086 5711 1 17 . 1 1 23 23 GLN C C 23 179.589 179.589 178.245 1.344 25086 5712 1 17 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.316 0.199 25086 5713 1 17 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.497 -0.209 25086 5714 1 17 . 1 1 23 23 GLN H H 23 7.953 7.953 8.339 -0.386 25086 5715 1 17 . 1 1 24 24 ALA N N 24 122.104 122.104 121.265 0.839 25086 5716 1 17 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.226 -0.118 25086 5717 1 17 . 1 1 24 24 ALA C C 24 179.010 179.010 178.660 0.350 25086 5718 1 17 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.364 0.381 25086 5719 1 17 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.127 -0.407 25086 5720 1 17 . 1 1 24 24 ALA H H 24 7.617 7.617 7.583 0.034 25086 5721 1 17 . 1 1 25 25 LEU N N 25 115.630 115.630 116.250 -0.620 25086 5722 1 17 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.398 -0.092 25086 5723 1 17 . 1 1 25 25 LEU C C 25 175.862 175.862 176.288 -0.426 25086 5724 1 17 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.316 -0.306 25086 5725 1 17 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.455 1.162 25086 5726 1 17 . 1 1 25 25 LEU H H 25 7.381 7.381 8.013 -0.632 25086 5727 1 17 . 1 1 26 26 ASN N N 26 118.019 118.019 116.930 1.089 25086 5728 1 17 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.379 -0.090 25086 5729 1 17 . 1 1 26 26 ASN C C 26 173.478 173.478 173.771 -0.293 25086 5730 1 17 . 1 1 26 26 ASN CA C 26 54.193 54.193 53.796 0.397 25086 5731 1 17 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.857 0.501 25086 5732 1 17 . 1 1 26 26 ASN H H 26 7.966 7.966 7.638 0.328 25086 5733 1 17 . 1 1 27 27 LEU N N 27 118.539 118.539 113.782 4.757 25086 5734 1 17 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.825 -0.242 25086 5735 1 17 . 1 1 27 27 LEU C C 27 174.995 174.995 174.508 0.487 25086 5736 1 17 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.473 0.267 25086 5737 1 17 . 1 1 27 27 LEU CB C 27 46.165 46.165 45.151 1.014 25086 5738 1 17 . 1 1 27 27 LEU H H 27 8.023 8.023 8.101 -0.078 25086 5739 1 17 . 1 1 28 28 ASN N N 28 121.416 121.416 116.122 5.294 25086 5740 1 17 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.999 -0.119 25086 5741 1 17 . 1 1 28 28 ASN C C 28 174.980 174.980 174.304 0.676 25086 5742 1 17 . 1 1 28 28 ASN CA C 28 51.344 51.344 52.127 -0.783 25086 5743 1 17 . 1 1 28 28 ASN CB C 28 42.553 42.553 42.019 0.534 25086 5744 1 17 . 1 1 28 28 ASN H H 28 8.889 8.889 9.116 -0.227 25086 5745 1 17 . 1 1 29 29 ILE N N 29 120.022 120.022 121.961 -1.939 25086 5746 1 17 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.094 -0.767 25086 5747 1 17 . 1 1 29 29 ILE C C 29 176.499 176.499 176.566 -0.067 25086 5748 1 17 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.833 0.411 25086 5749 1 17 . 1 1 29 29 ILE CB C 29 36.266 36.266 36.729 -0.463 25086 5750 1 17 . 1 1 29 29 ILE H H 29 8.396 8.396 8.465 -0.069 25086 5751 1 17 . 1 1 30 30 ASP N N 30 121.326 121.326 122.168 -0.842 25086 5752 1 17 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.415 -0.014 25086 5753 1 17 . 1 1 30 30 ASP C C 30 175.994 175.994 175.601 0.393 25086 5754 1 17 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.304 2.639 25086 5755 1 17 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.430 -1.615 25086 5756 1 17 . 1 1 30 30 ASP H H 30 9.114 9.114 8.832 0.282 25086 5757 1 17 . 1 1 31 31 ASP N N 31 121.764 121.764 121.220 0.544 25086 5758 1 17 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.723 -0.030 25086 5759 1 17 . 1 1 31 31 ASP C C 31 175.904 175.904 175.785 0.119 25086 5760 1 17 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.809 0.483 25086 5761 1 17 . 1 1 31 31 ASP CB C 31 41.176 41.176 41.411 -0.235 25086 5762 1 17 . 1 1 31 31 ASP H H 31 8.056 8.056 7.819 0.237 25086 5763 1 17 . 1 1 32 32 GLU N N 32 120.895 120.895 124.834 -3.939 25086 5764 1 17 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.260 0.436 25086 5765 1 17 . 1 1 32 32 GLU C C 32 176.717 176.717 175.119 1.598 25086 5766 1 17 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.509 -0.100 25086 5767 1 17 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.662 0.642 25086 5768 1 17 . 1 1 32 32 GLU H H 32 8.683 8.683 8.628 0.055 25086 5769 1 17 . 1 1 33 33 VAL N N 33 114.605 114.605 118.135 -3.530 25086 5770 1 17 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.461 0.545 25086 5771 1 17 . 1 1 33 33 VAL C C 33 173.447 173.447 174.762 -1.315 25086 5772 1 17 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.123 -0.695 25086 5773 1 17 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.210 0.554 25086 5774 1 17 . 1 1 33 33 VAL H H 33 8.423 8.423 8.002 0.421 25086 5775 1 17 . 1 1 34 34 LYS N N 34 122.276 122.276 124.669 -2.393 25086 5776 1 17 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.554 0.213 25086 5777 1 17 . 1 1 34 34 LYS C C 34 175.062 175.062 175.367 -0.305 25086 5778 1 17 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.442 -0.790 25086 5779 1 17 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.534 1.323 25086 5780 1 17 . 1 1 34 34 LYS H H 34 8.989 8.989 8.640 0.349 25086 5781 1 17 . 1 1 35 35 ILE N N 35 124.021 124.021 127.852 -3.831 25086 5782 1 17 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.681 0.373 25086 5783 1 17 . 1 1 35 35 ILE C C 35 174.111 174.111 175.341 -1.230 25086 5784 1 17 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.405 -0.167 25086 5785 1 17 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.579 2.410 25086 5786 1 17 . 1 1 35 35 ILE H H 35 8.717 8.717 8.690 0.027 25086 5787 1 17 . 1 1 36 36 ASP N N 36 126.126 126.126 128.401 -2.275 25086 5788 1 17 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.929 0.125 25086 5789 1 17 . 1 1 36 36 ASP C C 36 173.496 173.496 174.456 -0.960 25086 5790 1 17 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.844 -0.601 25086 5791 1 17 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.391 0.889 25086 5792 1 17 . 1 1 36 36 ASP H H 36 8.948 8.948 8.728 0.220 25086 5793 1 17 . 1 1 37 37 LEU N N 37 123.664 123.664 125.987 -2.323 25086 5794 1 17 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.949 0.252 25086 5795 1 17 . 1 1 37 37 LEU C C 37 175.865 175.865 175.801 0.064 25086 5796 1 17 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.356 -0.295 25086 5797 1 17 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.337 1.968 25086 5798 1 17 . 1 1 37 37 LEU H H 37 8.629 8.629 8.695 -0.066 25086 5799 1 17 . 1 1 38 38 VAL N N 38 126.795 126.795 126.168 0.627 25086 5800 1 17 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.333 -0.144 25086 5801 1 17 . 1 1 38 38 VAL C C 38 175.379 175.379 175.059 0.320 25086 5802 1 17 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.507 -0.027 25086 5803 1 17 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.005 0.097 25086 5804 1 17 . 1 1 38 38 VAL H H 38 8.772 8.772 9.098 -0.326 25086 5805 1 17 . 1 1 39 39 ASP N N 39 127.355 127.355 127.674 -0.319 25086 5806 1 17 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.300 -0.079 25086 5807 1 17 . 1 1 39 39 ASP C C 39 175.944 175.944 176.901 -0.957 25086 5808 1 17 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.781 0.443 25086 5809 1 17 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.572 -0.566 25086 5810 1 17 . 1 1 39 39 ASP H H 39 9.154 9.154 9.186 -0.032 25086 5811 1 17 . 1 1 40 40 GLY N N 40 103.124 103.124 102.449 0.675 25086 5812 1 17 . 1 1 40 40 GLY C C 40 172.842 172.842 173.910 -1.068 25086 5813 1 17 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.184 0.878 25086 5814 1 17 . 1 1 40 40 GLY H H 40 8.425 8.425 8.403 0.022 25086 5815 1 17 . 1 1 41 41 LYS N N 41 117.155 117.155 119.577 -2.422 25086 5816 1 17 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.706 0.039 25086 5817 1 17 . 1 1 41 41 LYS C C 41 174.385 174.385 174.686 -0.301 25086 5818 1 17 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.758 0.732 25086 5819 1 17 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.125 0.119 25086 5820 1 17 . 1 1 41 41 LYS H H 41 7.676 7.676 7.954 -0.278 25086 5821 1 17 . 1 1 42 42 LEU N N 42 119.938 119.938 122.098 -2.160 25086 5822 1 17 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.633 0.433 25086 5823 1 17 . 1 1 42 42 LEU C C 42 174.895 174.895 176.626 -1.731 25086 5824 1 17 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.310 -0.750 25086 5825 1 17 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.684 0.763 25086 5826 1 17 . 1 1 42 42 LEU H H 42 8.585 8.585 8.561 0.024 25086 5827 1 17 . 1 1 43 43 ILE N N 43 123.764 123.764 125.584 -1.820 25086 5828 1 17 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.343 0.582 25086 5829 1 17 . 1 1 43 43 ILE C C 43 175.893 175.893 174.666 1.227 25086 5830 1 17 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.283 0.004 25086 5831 1 17 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.506 0.672 25086 5832 1 17 . 1 1 43 43 ILE H H 43 9.075 9.075 9.010 0.065 25086 5833 1 17 . 1 1 44 44 ILE N N 44 126.815 126.815 128.584 -1.769 25086 5834 1 17 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.699 0.257 25086 5835 1 17 . 1 1 44 44 ILE C C 44 174.230 174.230 176.155 -1.925 25086 5836 1 17 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.937 1.281 25086 5837 1 17 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.018 2.143 25086 5838 1 17 . 1 1 44 44 ILE H H 44 9.411 9.411 8.740 0.671 25086 5839 1 17 . 1 1 45 45 GLU N N 45 126.742 126.742 128.665 -1.923 25086 5840 1 17 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.910 0.264 25086 5841 1 17 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.964 -1.013 25086 5842 1 17 . 1 1 45 45 GLU CB C 45 33.866 33.866 31.939 1.927 25086 5843 1 17 . 1 1 45 45 GLU H H 45 8.929 8.929 8.813 0.116 25086 5844 1 17 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.593 -0.041 25086 5845 1 17 . 1 1 46 46 PRO C C 46 175.856 175.856 176.152 -0.296 25086 5846 1 17 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.102 1.113 25086 5847 1 17 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.878 -0.440 25086 5848 1 17 . 1 1 47 47 VAL N N 47 123.846 123.846 120.306 3.540 25086 5849 1 17 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.167 -0.150 25086 5850 1 17 . 1 1 47 47 VAL C C 47 175.776 175.776 175.343 0.433 25086 5851 1 17 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.316 1.340 25086 5852 1 17 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.616 -0.345 25086 5853 1 17 . 1 1 47 47 VAL H H 47 7.893 7.893 7.936 -0.043 25086 5854 1 17 . 1 1 48 48 ARG N N 48 126.674 126.674 127.277 -0.603 25086 5855 1 17 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.346 0.060 25086 5856 1 17 . 1 1 48 48 ARG C C 48 175.887 175.887 176.522 -0.635 25086 5857 1 17 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.992 -0.471 25086 5858 1 17 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.886 -0.085 25086 5859 1 17 . 1 1 48 48 ARG H H 48 8.646 8.646 8.450 0.196 25086 5860 1 17 . 1 1 49 49 LYS N N 49 124.176 124.176 124.677 -0.501 25086 5861 1 17 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.382 -0.023 25086 5862 1 17 . 1 1 49 49 LYS C C 49 175.579 175.579 175.883 -0.304 25086 5863 1 17 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.232 -0.062 25086 5864 1 17 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.862 1.356 25086 5865 1 17 . 1 1 49 49 LYS H H 49 8.563 8.563 8.478 0.085 25086 5866 1 18 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.917 -0.310 25086 5867 1 18 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.562 0.243 25086 5868 1 18 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.155 -0.057 25086 5869 1 18 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 29.986 0.394 25086 5870 1 18 . 1 1 -14 -14 LYS N N -14 122.750 122.750 125.096 -2.346 25086 5871 1 18 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.565 -0.322 25086 5872 1 18 . 1 1 -14 -14 LYS C C -14 176.150 176.150 177.402 -1.252 25086 5873 1 18 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 57.255 -0.907 25086 5874 1 18 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 33.934 -0.949 25086 5875 1 18 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.342 0.012 25086 5876 1 18 . 1 1 -13 -13 VAL N N -13 121.546 121.546 119.128 2.418 25086 5877 1 18 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.904 0.074 25086 5878 1 18 . 1 1 -13 -13 VAL C C -13 175.611 175.611 177.058 -1.447 25086 5879 1 18 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 64.815 -2.667 25086 5880 1 18 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.826 0.989 25086 5881 1 18 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.253 -0.155 25086 5882 1 18 . 1 1 -12 -12 HIS N N -12 123.329 123.329 115.810 7.519 25086 5883 1 18 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 55.697 -0.171 25086 5884 1 18 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 28.879 1.561 25086 5885 1 18 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.176 0.262 25086 5886 1 18 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.155 0.451 25086 5887 1 18 . 1 1 -7 -7 HIS C C -7 174.714 174.714 173.888 0.826 25086 5888 1 18 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 57.791 -1.810 25086 5889 1 18 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 29.095 0.810 25086 5890 1 18 . 1 1 -6 -6 MET N N -6 122.431 122.431 118.722 3.709 25086 5891 1 18 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.601 -0.148 25086 5892 1 18 . 1 1 -6 -6 MET C C -6 176.091 176.091 177.581 -1.490 25086 5893 1 18 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.977 -0.319 25086 5894 1 18 . 1 1 -6 -6 MET CB C -6 32.952 32.952 34.870 -1.917 25086 5895 1 18 . 1 1 -6 -6 MET H H -6 8.520 8.520 9.503 -0.983 25086 5896 1 18 . 1 1 -5 -5 SER N N -5 116.616 116.616 113.881 2.735 25086 5897 1 18 . 1 1 -5 -5 SER HA H -5 4.444 4.444 3.974 0.470 25086 5898 1 18 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.483 -0.021 25086 5899 1 18 . 1 1 -5 -5 SER CA C -5 58.379 58.379 62.460 -4.081 25086 5900 1 18 . 1 1 -5 -5 SER CB C -5 63.989 63.989 61.126 2.863 25086 5901 1 18 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.925 -0.515 25086 5902 1 18 . 1 1 -4 -4 ASP N N -4 122.320 122.320 121.047 1.273 25086 5903 1 18 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.667 -0.065 25086 5904 1 18 . 1 1 -4 -4 ASP C C -4 176.198 176.198 177.155 -0.957 25086 5905 1 18 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.581 -1.802 25086 5906 1 18 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 41.127 -0.010 25086 5907 1 18 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.245 0.184 25086 5908 1 18 . 1 1 -3 -3 ASP N N -3 119.793 119.793 114.108 5.685 25086 5909 1 18 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.443 0.121 25086 5910 1 18 . 1 1 -3 -3 ASP C C -3 176.246 176.246 175.986 0.260 25086 5911 1 18 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.353 -0.624 25086 5912 1 18 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.651 0.542 25086 5913 1 18 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.401 -0.195 25086 5914 1 18 . 1 1 -2 -2 ASP N N -2 120.270 120.270 119.355 0.915 25086 5915 1 18 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.607 -0.040 25086 5916 1 18 . 1 1 -2 -2 ASP C C -2 176.053 176.053 177.438 -1.385 25086 5917 1 18 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.786 -1.048 25086 5918 1 18 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.133 -0.889 25086 5919 1 18 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.781 0.389 25086 5920 1 18 . 1 1 -1 -1 ASP N N -1 120.279 120.279 118.273 2.006 25086 5921 1 18 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.583 0.007 25086 5922 1 18 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.399 -0.093 25086 5923 1 18 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.675 -0.259 25086 5924 1 18 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.329 -0.225 25086 5925 1 18 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.930 0.295 25086 5926 1 18 . 1 1 0 0 LYS N N 0 121.408 121.408 120.587 0.821 25086 5927 1 18 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.652 -0.267 25086 5928 1 18 . 1 1 0 0 LYS C C 0 177.017 177.017 176.265 0.752 25086 5929 1 18 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.151 0.946 25086 5930 1 18 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.729 0.240 25086 5931 1 18 . 1 1 0 0 LYS H H 0 8.251 8.251 7.611 0.640 25086 5932 1 18 . 1 1 1 1 GLY N N 1 109.054 109.054 111.506 -2.452 25086 5933 1 18 . 1 1 1 1 GLY C C 1 173.630 173.630 174.533 -0.903 25086 5934 1 18 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.776 0.509 25086 5935 1 18 . 1 1 1 1 GLY H H 1 8.370 8.370 8.427 -0.057 25086 5936 1 18 . 1 1 2 2 ILE N N 2 120.862 120.862 123.122 -2.260 25086 5937 1 18 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.315 -0.018 25086 5938 1 18 . 1 1 2 2 ILE C C 2 175.993 175.993 175.140 0.853 25086 5939 1 18 . 1 1 2 2 ILE CA C 2 60.832 60.832 60.743 0.089 25086 5940 1 18 . 1 1 2 2 ILE CB C 2 39.733 39.733 39.620 0.113 25086 5941 1 18 . 1 1 2 2 ILE H H 2 8.579 8.579 7.869 0.710 25086 5942 1 18 . 1 1 3 3 HIS N N 3 124.483 124.483 123.003 1.480 25086 5943 1 18 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.929 0.305 25086 5944 1 18 . 1 1 3 3 HIS C C 3 174.751 174.751 173.988 0.763 25086 5945 1 18 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.852 -0.567 25086 5946 1 18 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.579 -0.503 25086 5947 1 18 . 1 1 3 3 HIS H H 3 8.920 8.920 8.316 0.604 25086 5948 1 18 . 1 1 4 4 SER N N 4 117.417 117.417 117.687 -0.270 25086 5949 1 18 . 1 1 4 4 SER HA H 4 4.712 4.712 4.704 0.008 25086 5950 1 18 . 1 1 4 4 SER C C 4 174.112 174.112 173.148 0.964 25086 5951 1 18 . 1 1 4 4 SER CA C 4 56.102 56.102 57.751 -1.649 25086 5952 1 18 . 1 1 4 4 SER CB C 4 64.679 64.679 65.050 -0.371 25086 5953 1 18 . 1 1 4 4 SER H H 4 8.925 8.925 8.766 0.159 25086 5954 1 18 . 1 1 5 5 SER N N 5 114.372 114.372 116.416 -2.044 25086 5955 1 18 . 1 1 5 5 SER HA H 5 5.390 5.390 4.709 0.681 25086 5956 1 18 . 1 1 5 5 SER C C 5 173.075 173.075 173.062 0.013 25086 5957 1 18 . 1 1 5 5 SER CA C 5 57.153 57.153 58.123 -0.970 25086 5958 1 18 . 1 1 5 5 SER CB C 5 65.752 65.752 64.749 1.003 25086 5959 1 18 . 1 1 5 5 SER H H 5 8.623 8.623 8.293 0.330 25086 5960 1 18 . 1 1 6 6 VAL N N 6 121.311 121.311 121.920 -0.609 25086 5961 1 18 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.209 -0.040 25086 5962 1 18 . 1 1 6 6 VAL C C 6 175.872 175.872 175.902 -0.030 25086 5963 1 18 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.271 0.475 25086 5964 1 18 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.481 -0.984 25086 5965 1 18 . 1 1 6 6 VAL H H 6 8.384 8.384 8.610 -0.226 25086 5966 1 18 . 1 1 7 7 LYS N N 7 128.341 128.341 128.806 -0.465 25086 5967 1 18 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.790 0.175 25086 5968 1 18 . 1 1 7 7 LYS C C 7 174.655 174.655 174.678 -0.023 25086 5969 1 18 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.549 0.060 25086 5970 1 18 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.664 0.910 25086 5971 1 18 . 1 1 7 7 LYS H H 7 9.042 9.042 8.961 0.081 25086 5972 1 18 . 1 1 8 8 ARG N N 8 120.527 120.527 121.759 -1.232 25086 5973 1 18 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.726 -0.362 25086 5974 1 18 . 1 1 8 8 ARG C C 8 174.148 174.148 175.687 -1.539 25086 5975 1 18 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.997 0.179 25086 5976 1 18 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.552 -0.046 25086 5977 1 18 . 1 1 8 8 ARG H H 8 8.791 8.791 8.693 0.098 25086 5978 1 18 . 1 1 9 9 TRP N N 9 131.164 131.164 130.699 0.465 25086 5979 1 18 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.722 -0.070 25086 5980 1 18 . 1 1 9 9 TRP C C 9 176.351 176.351 175.962 0.389 25086 5981 1 18 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.806 -1.769 25086 5982 1 18 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.181 -1.115 25086 5983 1 18 . 1 1 9 9 TRP H H 9 8.994 8.994 9.156 -0.162 25086 5984 1 18 . 1 1 10 10 GLY N N 10 117.757 117.757 118.264 -0.507 25086 5985 1 18 . 1 1 10 10 GLY C C 10 173.798 173.798 174.125 -0.327 25086 5986 1 18 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.514 0.810 25086 5987 1 18 . 1 1 10 10 GLY H H 10 9.134 9.134 8.200 0.934 25086 5988 1 18 . 1 1 11 11 ASN N N 11 125.396 125.396 123.148 2.248 25086 5989 1 18 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.922 -0.153 25086 5990 1 18 . 1 1 11 11 ASN C C 11 175.190 175.190 174.155 1.035 25086 5991 1 18 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.374 0.368 25086 5992 1 18 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.835 0.475 25086 5993 1 18 . 1 1 11 11 ASN H H 11 8.667 8.667 8.527 0.140 25086 5994 1 18 . 1 1 12 12 SER N N 12 115.939 115.939 116.817 -0.878 25086 5995 1 18 . 1 1 12 12 SER HA H 12 5.038 5.038 4.976 0.062 25086 5996 1 18 . 1 1 12 12 SER CA C 12 56.293 56.293 55.208 1.085 25086 5997 1 18 . 1 1 12 12 SER CB C 12 65.254 65.254 64.627 0.627 25086 5998 1 18 . 1 1 12 12 SER H H 12 7.798 7.798 7.689 0.109 25086 5999 1 18 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.968 -0.105 25086 6000 1 18 . 1 1 13 13 PRO C C 13 177.322 177.322 175.911 1.411 25086 6001 1 18 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.622 -0.493 25086 6002 1 18 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.837 0.781 25086 6003 1 18 . 1 1 14 14 ALA N N 14 125.096 125.096 128.458 -3.362 25086 6004 1 18 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.864 0.425 25086 6005 1 18 . 1 1 14 14 ALA C C 14 174.888 174.888 175.172 -0.284 25086 6006 1 18 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.113 0.657 25086 6007 1 18 . 1 1 14 14 ALA CB C 14 24.271 24.271 23.093 1.177 25086 6008 1 18 . 1 1 14 14 ALA H H 14 9.419 9.419 9.262 0.157 25086 6009 1 18 . 1 1 15 15 VAL N N 15 116.316 116.316 122.231 -5.915 25086 6010 1 18 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.480 0.261 25086 6011 1 18 . 1 1 15 15 VAL C C 15 175.375 175.375 175.691 -0.316 25086 6012 1 18 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.608 -0.776 25086 6013 1 18 . 1 1 15 15 VAL CB C 15 35.541 35.541 34.774 0.767 25086 6014 1 18 . 1 1 15 15 VAL H H 15 8.491 8.491 8.551 -0.060 25086 6015 1 18 . 1 1 16 16 ARG N N 16 125.595 125.595 128.456 -2.861 25086 6016 1 18 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.454 0.279 25086 6017 1 18 . 1 1 16 16 ARG C C 16 176.071 176.071 175.827 0.244 25086 6018 1 18 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.551 0.653 25086 6019 1 18 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.698 -0.205 25086 6020 1 18 . 1 1 16 16 ARG H H 16 8.812 8.812 8.374 0.438 25086 6021 1 18 . 1 1 17 17 ILE N N 17 123.572 123.572 126.885 -3.313 25086 6022 1 18 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.314 0.081 25086 6023 1 18 . 1 1 17 17 ILE CA C 17 56.591 56.591 58.293 -1.702 25086 6024 1 18 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.548 0.233 25086 6025 1 18 . 1 1 17 17 ILE H H 17 8.020 8.020 8.245 -0.225 25086 6026 1 18 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.494 -0.103 25086 6027 1 18 . 1 1 18 18 PRO C C 18 177.860 177.860 177.280 0.580 25086 6028 1 18 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.416 0.452 25086 6029 1 18 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.351 0.485 25086 6030 1 18 . 1 1 19 19 ALA N N 19 128.602 128.602 127.366 1.236 25086 6031 1 18 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.000 -0.062 25086 6032 1 18 . 1 1 19 19 ALA C C 19 180.059 180.059 179.560 0.499 25086 6033 1 18 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.083 0.792 25086 6034 1 18 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.112 0.188 25086 6035 1 18 . 1 1 19 19 ALA H H 19 8.975 8.975 8.766 0.209 25086 6036 1 18 . 1 1 20 20 THR N N 20 108.352 108.352 115.500 -7.148 25086 6037 1 18 . 1 1 20 20 THR HA H 20 4.041 4.041 4.153 -0.112 25086 6038 1 18 . 1 1 20 20 THR C C 20 177.381 177.381 176.335 1.046 25086 6039 1 18 . 1 1 20 20 THR CA C 20 64.688 64.688 66.826 -2.138 25086 6040 1 18 . 1 1 20 20 THR CB C 20 68.155 68.155 68.372 -0.217 25086 6041 1 18 . 1 1 20 20 THR H H 20 8.263 8.263 8.296 -0.033 25086 6042 1 18 . 1 1 21 21 LEU N N 21 121.199 121.199 121.138 0.061 25086 6043 1 18 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.177 0.049 25086 6044 1 18 . 1 1 21 21 LEU C C 21 178.002 178.002 178.400 -0.398 25086 6045 1 18 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.257 -0.314 25086 6046 1 18 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.117 -0.085 25086 6047 1 18 . 1 1 21 21 LEU H H 21 7.040 7.040 7.711 -0.671 25086 6048 1 18 . 1 1 22 22 MET N N 22 117.150 117.150 118.534 -1.384 25086 6049 1 18 . 1 1 22 22 MET HA H 22 4.019 4.019 3.866 0.153 25086 6050 1 18 . 1 1 22 22 MET C C 22 178.951 178.951 178.726 0.225 25086 6051 1 18 . 1 1 22 22 MET CA C 22 57.881 57.881 60.117 -2.236 25086 6052 1 18 . 1 1 22 22 MET CB C 22 30.803 30.803 32.054 -1.251 25086 6053 1 18 . 1 1 22 22 MET H H 22 7.415 7.415 7.809 -0.394 25086 6054 1 18 . 1 1 23 23 GLN N N 23 116.690 116.690 117.206 -0.516 25086 6055 1 18 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.105 0.055 25086 6056 1 18 . 1 1 23 23 GLN C C 23 179.589 179.589 178.085 1.504 25086 6057 1 18 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.269 0.246 25086 6058 1 18 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.537 -0.249 25086 6059 1 18 . 1 1 23 23 GLN H H 23 7.953 7.953 7.996 -0.043 25086 6060 1 18 . 1 1 24 24 ALA N N 24 122.104 122.104 121.092 1.012 25086 6061 1 18 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.232 -0.124 25086 6062 1 18 . 1 1 24 24 ALA C C 24 179.010 179.010 178.567 0.443 25086 6063 1 18 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.307 0.438 25086 6064 1 18 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.106 -0.387 25086 6065 1 18 . 1 1 24 24 ALA H H 24 7.617 7.617 7.618 -0.001 25086 6066 1 18 . 1 1 25 25 LEU N N 25 115.630 115.630 116.927 -1.297 25086 6067 1 18 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.299 0.007 25086 6068 1 18 . 1 1 25 25 LEU C C 25 175.862 175.862 177.195 -1.333 25086 6069 1 18 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.909 -0.900 25086 6070 1 18 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.724 0.893 25086 6071 1 18 . 1 1 25 25 LEU H H 25 7.381 7.381 8.211 -0.830 25086 6072 1 18 . 1 1 26 26 ASN N N 26 118.019 118.019 116.920 1.099 25086 6073 1 18 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.361 -0.072 25086 6074 1 18 . 1 1 26 26 ASN C C 26 173.478 173.478 173.818 -0.340 25086 6075 1 18 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.054 0.139 25086 6076 1 18 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.018 0.340 25086 6077 1 18 . 1 1 26 26 ASN H H 26 7.966 7.966 7.849 0.117 25086 6078 1 18 . 1 1 27 27 LEU N N 27 118.539 118.539 113.478 5.061 25086 6079 1 18 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.871 -0.288 25086 6080 1 18 . 1 1 27 27 LEU C C 27 174.995 174.995 174.827 0.168 25086 6081 1 18 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.349 0.391 25086 6082 1 18 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.499 1.666 25086 6083 1 18 . 1 1 27 27 LEU H H 27 8.023 8.023 7.917 0.106 25086 6084 1 18 . 1 1 28 28 ASN N N 28 121.416 121.416 117.348 4.068 25086 6085 1 18 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.863 0.017 25086 6086 1 18 . 1 1 28 28 ASN C C 28 174.980 174.980 174.798 0.182 25086 6087 1 18 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.378 -0.034 25086 6088 1 18 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.108 1.446 25086 6089 1 18 . 1 1 28 28 ASN H H 28 8.889 8.889 8.090 0.799 25086 6090 1 18 . 1 1 29 29 ILE N N 29 120.022 120.022 120.759 -0.737 25086 6091 1 18 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.123 -0.796 25086 6092 1 18 . 1 1 29 29 ILE C C 29 176.499 176.499 176.847 -0.348 25086 6093 1 18 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.487 0.757 25086 6094 1 18 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.266 -1.000 25086 6095 1 18 . 1 1 29 29 ILE H H 29 8.396 8.396 8.405 -0.009 25086 6096 1 18 . 1 1 30 30 ASP N N 30 121.326 121.326 123.057 -1.731 25086 6097 1 18 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.382 0.019 25086 6098 1 18 . 1 1 30 30 ASP C C 30 175.994 175.994 174.879 1.115 25086 6099 1 18 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.098 2.845 25086 6100 1 18 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.578 -1.763 25086 6101 1 18 . 1 1 30 30 ASP H H 30 9.114 9.114 8.777 0.337 25086 6102 1 18 . 1 1 31 31 ASP N N 31 121.764 121.764 119.377 2.387 25086 6103 1 18 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.711 -0.018 25086 6104 1 18 . 1 1 31 31 ASP C C 31 175.904 175.904 175.677 0.227 25086 6105 1 18 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.008 1.284 25086 6106 1 18 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.625 -1.449 25086 6107 1 18 . 1 1 31 31 ASP H H 31 8.056 8.056 7.915 0.141 25086 6108 1 18 . 1 1 32 32 GLU N N 32 120.895 120.895 123.675 -2.780 25086 6109 1 18 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.425 0.271 25086 6110 1 18 . 1 1 32 32 GLU C C 32 176.717 176.717 174.989 1.728 25086 6111 1 18 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.037 0.372 25086 6112 1 18 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.869 0.435 25086 6113 1 18 . 1 1 32 32 GLU H H 32 8.683 8.683 8.444 0.239 25086 6114 1 18 . 1 1 33 33 VAL N N 33 114.605 114.605 119.486 -4.881 25086 6115 1 18 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.334 0.672 25086 6116 1 18 . 1 1 33 33 VAL C C 33 173.447 173.447 174.273 -0.826 25086 6117 1 18 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.648 -1.220 25086 6118 1 18 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.987 0.777 25086 6119 1 18 . 1 1 33 33 VAL H H 33 8.423 8.423 8.100 0.323 25086 6120 1 18 . 1 1 34 34 LYS N N 34 122.276 122.276 123.638 -1.362 25086 6121 1 18 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.677 0.090 25086 6122 1 18 . 1 1 34 34 LYS C C 34 175.062 175.062 175.251 -0.189 25086 6123 1 18 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.052 -0.400 25086 6124 1 18 . 1 1 34 34 LYS CB C 34 34.857 34.857 34.169 0.688 25086 6125 1 18 . 1 1 34 34 LYS H H 34 8.989 8.989 8.738 0.251 25086 6126 1 18 . 1 1 35 35 ILE N N 35 124.021 124.021 128.309 -4.288 25086 6127 1 18 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.769 0.285 25086 6128 1 18 . 1 1 35 35 ILE C C 35 174.111 174.111 175.369 -1.258 25086 6129 1 18 . 1 1 35 35 ILE CA C 35 60.238 60.238 58.902 1.336 25086 6130 1 18 . 1 1 35 35 ILE CB C 35 39.989 39.989 36.841 3.148 25086 6131 1 18 . 1 1 35 35 ILE H H 35 8.717 8.717 8.665 0.052 25086 6132 1 18 . 1 1 36 36 ASP N N 36 126.126 126.126 128.638 -2.512 25086 6133 1 18 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.969 0.085 25086 6134 1 18 . 1 1 36 36 ASP C C 36 173.496 173.496 174.354 -0.858 25086 6135 1 18 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.944 -0.701 25086 6136 1 18 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.300 0.980 25086 6137 1 18 . 1 1 36 36 ASP H H 36 8.948 8.948 8.707 0.241 25086 6138 1 18 . 1 1 37 37 LEU N N 37 123.664 123.664 123.878 -0.214 25086 6139 1 18 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.144 0.057 25086 6140 1 18 . 1 1 37 37 LEU C C 37 175.865 175.865 175.933 -0.068 25086 6141 1 18 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.663 0.398 25086 6142 1 18 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.723 1.583 25086 6143 1 18 . 1 1 37 37 LEU H H 37 8.629 8.629 8.562 0.067 25086 6144 1 18 . 1 1 38 38 VAL N N 38 126.795 126.795 125.967 0.828 25086 6145 1 18 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.328 -0.139 25086 6146 1 18 . 1 1 38 38 VAL C C 38 175.379 175.379 175.191 0.188 25086 6147 1 18 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.608 -0.129 25086 6148 1 18 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.290 -0.188 25086 6149 1 18 . 1 1 38 38 VAL H H 38 8.772 8.772 8.812 -0.040 25086 6150 1 18 . 1 1 39 39 ASP N N 39 127.355 127.355 127.125 0.230 25086 6151 1 18 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.295 -0.074 25086 6152 1 18 . 1 1 39 39 ASP C C 39 175.944 175.944 176.755 -0.811 25086 6153 1 18 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.697 0.527 25086 6154 1 18 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.481 -0.475 25086 6155 1 18 . 1 1 39 39 ASP H H 39 9.154 9.154 9.110 0.044 25086 6156 1 18 . 1 1 40 40 GLY N N 40 103.124 103.124 102.440 0.684 25086 6157 1 18 . 1 1 40 40 GLY C C 40 172.842 172.842 173.614 -0.772 25086 6158 1 18 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.162 0.900 25086 6159 1 18 . 1 1 40 40 GLY H H 40 8.425 8.425 8.500 -0.075 25086 6160 1 18 . 1 1 41 41 LYS N N 41 117.155 117.155 118.038 -0.883 25086 6161 1 18 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.633 0.112 25086 6162 1 18 . 1 1 41 41 LYS C C 41 174.385 174.385 174.572 -0.187 25086 6163 1 18 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.982 0.508 25086 6164 1 18 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.105 0.139 25086 6165 1 18 . 1 1 41 41 LYS H H 41 7.676 7.676 7.980 -0.304 25086 6166 1 18 . 1 1 42 42 LEU N N 42 119.938 119.938 121.990 -2.052 25086 6167 1 18 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.705 0.361 25086 6168 1 18 . 1 1 42 42 LEU C C 42 174.895 174.895 176.576 -1.681 25086 6169 1 18 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.477 -0.916 25086 6170 1 18 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.742 0.706 25086 6171 1 18 . 1 1 42 42 LEU H H 42 8.585 8.585 8.531 0.054 25086 6172 1 18 . 1 1 43 43 ILE N N 43 123.764 123.764 125.159 -1.395 25086 6173 1 18 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.398 0.527 25086 6174 1 18 . 1 1 43 43 ILE C C 43 175.893 175.893 174.442 1.451 25086 6175 1 18 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.244 0.043 25086 6176 1 18 . 1 1 43 43 ILE CB C 43 39.178 39.178 39.821 -0.643 25086 6177 1 18 . 1 1 43 43 ILE H H 43 9.075 9.075 9.052 0.023 25086 6178 1 18 . 1 1 44 44 ILE N N 44 126.815 126.815 127.148 -0.333 25086 6179 1 18 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.676 0.280 25086 6180 1 18 . 1 1 44 44 ILE C C 44 174.230 174.230 175.654 -1.424 25086 6181 1 18 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.906 1.312 25086 6182 1 18 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.620 1.541 25086 6183 1 18 . 1 1 44 44 ILE H H 44 9.411 9.411 8.560 0.851 25086 6184 1 18 . 1 1 45 45 GLU N N 45 126.742 126.742 129.534 -2.792 25086 6185 1 18 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.922 0.252 25086 6186 1 18 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.391 -0.440 25086 6187 1 18 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.810 1.056 25086 6188 1 18 . 1 1 45 45 GLU H H 45 8.929 8.929 8.675 0.254 25086 6189 1 18 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.473 0.079 25086 6190 1 18 . 1 1 46 46 PRO C C 46 175.856 175.856 176.052 -0.196 25086 6191 1 18 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.364 0.852 25086 6192 1 18 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.664 -0.226 25086 6193 1 18 . 1 1 47 47 VAL N N 47 123.846 123.846 120.850 2.996 25086 6194 1 18 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.220 -0.203 25086 6195 1 18 . 1 1 47 47 VAL C C 47 175.776 175.776 175.402 0.374 25086 6196 1 18 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.133 1.523 25086 6197 1 18 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.983 0.288 25086 6198 1 18 . 1 1 47 47 VAL H H 47 7.893 7.893 8.203 -0.310 25086 6199 1 18 . 1 1 48 48 ARG N N 48 126.674 126.674 128.474 -1.800 25086 6200 1 18 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.329 0.077 25086 6201 1 18 . 1 1 48 48 ARG C C 48 175.887 175.887 175.978 -0.091 25086 6202 1 18 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.553 -1.033 25086 6203 1 18 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.835 -0.034 25086 6204 1 18 . 1 1 48 48 ARG H H 48 8.646 8.646 8.581 0.065 25086 6205 1 18 . 1 1 49 49 LYS N N 49 124.176 124.176 124.027 0.149 25086 6206 1 18 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.442 -0.083 25086 6207 1 18 . 1 1 49 49 LYS C C 49 175.579 175.579 176.113 -0.534 25086 6208 1 18 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.903 0.267 25086 6209 1 18 . 1 1 49 49 LYS CB C 49 33.218 33.218 30.547 2.671 25086 6210 1 18 . 1 1 49 49 LYS H H 49 8.563 8.563 8.463 0.100 25086 6211 1 19 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.516 0.091 25086 6212 1 19 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.997 -0.192 25086 6213 1 19 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 57.179 -1.081 25086 6214 1 19 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.461 -0.081 25086 6215 1 19 . 1 1 -14 -14 LYS N N -14 122.750 122.750 120.234 2.516 25086 6216 1 19 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.330 -0.087 25086 6217 1 19 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.574 0.576 25086 6218 1 19 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.380 0.968 25086 6219 1 19 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 33.937 -0.952 25086 6220 1 19 . 1 1 -14 -14 LYS H H -14 8.354 8.354 7.609 0.745 25086 6221 1 19 . 1 1 -13 -13 VAL N N -13 121.546 121.546 119.777 1.769 25086 6222 1 19 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 3.764 0.214 25086 6223 1 19 . 1 1 -13 -13 VAL C C -13 175.611 175.611 176.006 -0.395 25086 6224 1 19 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 63.917 -1.769 25086 6225 1 19 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.159 0.656 25086 6226 1 19 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.233 -0.135 25086 6227 1 19 . 1 1 -12 -12 HIS N N -12 123.329 123.329 116.888 6.441 25086 6228 1 19 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 54.270 1.256 25086 6229 1 19 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 28.819 1.621 25086 6230 1 19 . 1 1 -12 -12 HIS H H -12 8.438 8.438 7.667 0.771 25086 6231 1 19 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.313 0.293 25086 6232 1 19 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.651 0.063 25086 6233 1 19 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.361 0.620 25086 6234 1 19 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.597 -0.692 25086 6235 1 19 . 1 1 -6 -6 MET N N -6 122.431 122.431 124.129 -1.698 25086 6236 1 19 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.474 -0.021 25086 6237 1 19 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.470 0.621 25086 6238 1 19 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.271 0.387 25086 6239 1 19 . 1 1 -6 -6 MET CB C -6 32.952 32.952 34.737 -1.785 25086 6240 1 19 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.363 0.157 25086 6241 1 19 . 1 1 -5 -5 SER N N -5 116.616 116.616 118.411 -1.795 25086 6242 1 19 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.153 0.291 25086 6243 1 19 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.725 -0.263 25086 6244 1 19 . 1 1 -5 -5 SER CA C -5 58.379 58.379 58.657 -0.278 25086 6245 1 19 . 1 1 -5 -5 SER CB C -5 63.989 63.989 62.345 1.644 25086 6246 1 19 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.749 -0.339 25086 6247 1 19 . 1 1 -4 -4 ASP N N -4 122.320 122.320 121.008 1.312 25086 6248 1 19 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.437 0.165 25086 6249 1 19 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.230 -0.032 25086 6250 1 19 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.390 -1.610 25086 6251 1 19 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.966 0.151 25086 6252 1 19 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.750 -0.321 25086 6253 1 19 . 1 1 -3 -3 ASP N N -3 119.793 119.793 116.467 3.326 25086 6254 1 19 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.539 0.025 25086 6255 1 19 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.620 -0.374 25086 6256 1 19 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.543 -0.814 25086 6257 1 19 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 40.887 0.307 25086 6258 1 19 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.236 -0.030 25086 6259 1 19 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.383 1.887 25086 6260 1 19 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.619 -0.052 25086 6261 1 19 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.181 -0.128 25086 6262 1 19 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.119 -0.381 25086 6263 1 19 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 42.256 -1.012 25086 6264 1 19 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.624 0.546 25086 6265 1 19 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.905 -0.626 25086 6266 1 19 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.589 0.001 25086 6267 1 19 . 1 1 -1 -1 ASP C C -1 176.306 176.306 176.323 -0.017 25086 6268 1 19 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.598 -0.183 25086 6269 1 19 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.858 -0.754 25086 6270 1 19 . 1 1 -1 -1 ASP H H -1 8.225 8.225 8.161 0.064 25086 6271 1 19 . 1 1 0 0 LYS N N 0 121.408 121.408 123.946 -2.538 25086 6272 1 19 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.408 -0.023 25086 6273 1 19 . 1 1 0 0 LYS C C 0 177.017 177.017 176.520 0.497 25086 6274 1 19 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.199 -0.102 25086 6275 1 19 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.495 0.474 25086 6276 1 19 . 1 1 0 0 LYS H H 0 8.251 8.251 8.316 -0.065 25086 6277 1 19 . 1 1 1 1 GLY N N 1 109.054 109.054 110.321 -1.267 25086 6278 1 19 . 1 1 1 1 GLY C C 1 173.630 173.630 173.626 0.004 25086 6279 1 19 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.523 0.762 25086 6280 1 19 . 1 1 1 1 GLY H H 1 8.370 8.370 7.825 0.545 25086 6281 1 19 . 1 1 2 2 ILE N N 2 120.862 120.862 123.821 -2.959 25086 6282 1 19 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.033 0.264 25086 6283 1 19 . 1 1 2 2 ILE C C 2 175.993 175.993 176.149 -0.156 25086 6284 1 19 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.505 -0.673 25086 6285 1 19 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.228 1.504 25086 6286 1 19 . 1 1 2 2 ILE H H 2 8.579 8.579 7.960 0.619 25086 6287 1 19 . 1 1 3 3 HIS N N 3 124.483 124.483 128.027 -3.544 25086 6288 1 19 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.692 0.542 25086 6289 1 19 . 1 1 3 3 HIS C C 3 174.751 174.751 174.811 -0.060 25086 6290 1 19 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.109 -0.824 25086 6291 1 19 . 1 1 3 3 HIS CB C 3 30.076 30.076 29.865 0.211 25086 6292 1 19 . 1 1 3 3 HIS H H 3 8.920 8.920 8.888 0.032 25086 6293 1 19 . 1 1 4 4 SER N N 4 117.417 117.417 121.437 -4.020 25086 6294 1 19 . 1 1 4 4 SER HA H 4 4.712 4.712 4.828 -0.116 25086 6295 1 19 . 1 1 4 4 SER C C 4 174.112 174.112 174.079 0.033 25086 6296 1 19 . 1 1 4 4 SER CA C 4 56.102 56.102 57.701 -1.599 25086 6297 1 19 . 1 1 4 4 SER CB C 4 64.679 64.679 64.582 0.097 25086 6298 1 19 . 1 1 4 4 SER H H 4 8.925 8.925 8.795 0.130 25086 6299 1 19 . 1 1 5 5 SER N N 5 114.372 114.372 116.212 -1.840 25086 6300 1 19 . 1 1 5 5 SER HA H 5 5.390 5.390 4.628 0.762 25086 6301 1 19 . 1 1 5 5 SER C C 5 173.075 173.075 172.954 0.121 25086 6302 1 19 . 1 1 5 5 SER CA C 5 57.153 57.153 58.138 -0.985 25086 6303 1 19 . 1 1 5 5 SER CB C 5 65.752 65.752 65.295 0.457 25086 6304 1 19 . 1 1 5 5 SER H H 5 8.623 8.623 8.387 0.236 25086 6305 1 19 . 1 1 6 6 VAL N N 6 121.311 121.311 123.992 -2.681 25086 6306 1 19 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.056 0.113 25086 6307 1 19 . 1 1 6 6 VAL C C 6 175.872 175.872 175.913 -0.041 25086 6308 1 19 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.917 -0.172 25086 6309 1 19 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.824 -0.327 25086 6310 1 19 . 1 1 6 6 VAL H H 6 8.384 8.384 8.429 -0.045 25086 6311 1 19 . 1 1 7 7 LYS N N 7 128.341 128.341 129.565 -1.224 25086 6312 1 19 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.723 0.242 25086 6313 1 19 . 1 1 7 7 LYS C C 7 174.655 174.655 174.798 -0.143 25086 6314 1 19 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.709 -0.100 25086 6315 1 19 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.113 1.461 25086 6316 1 19 . 1 1 7 7 LYS H H 7 9.042 9.042 8.588 0.454 25086 6317 1 19 . 1 1 8 8 ARG N N 8 120.527 120.527 121.543 -1.016 25086 6318 1 19 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.669 -0.305 25086 6319 1 19 . 1 1 8 8 ARG C C 8 174.148 174.148 175.675 -1.527 25086 6320 1 19 . 1 1 8 8 ARG CA C 8 56.176 56.176 56.026 0.150 25086 6321 1 19 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.519 -0.013 25086 6322 1 19 . 1 1 8 8 ARG H H 8 8.791 8.791 8.670 0.121 25086 6323 1 19 . 1 1 9 9 TRP N N 9 131.164 131.164 130.711 0.453 25086 6324 1 19 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.719 -0.067 25086 6325 1 19 . 1 1 9 9 TRP C C 9 176.351 176.351 175.862 0.489 25086 6326 1 19 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.797 -1.760 25086 6327 1 19 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.299 -1.233 25086 6328 1 19 . 1 1 9 9 TRP H H 9 8.994 8.994 9.209 -0.215 25086 6329 1 19 . 1 1 10 10 GLY N N 10 117.757 117.757 118.179 -0.422 25086 6330 1 19 . 1 1 10 10 GLY C C 10 173.798 173.798 173.391 0.407 25086 6331 1 19 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.522 0.802 25086 6332 1 19 . 1 1 10 10 GLY H H 10 9.134 9.134 8.196 0.938 25086 6333 1 19 . 1 1 11 11 ASN N N 11 125.396 125.396 120.930 4.466 25086 6334 1 19 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.793 -0.024 25086 6335 1 19 . 1 1 11 11 ASN C C 11 175.190 175.190 174.467 0.723 25086 6336 1 19 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.364 0.378 25086 6337 1 19 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.811 0.499 25086 6338 1 19 . 1 1 11 11 ASN H H 11 8.667 8.667 8.362 0.305 25086 6339 1 19 . 1 1 12 12 SER N N 12 115.939 115.939 116.535 -0.596 25086 6340 1 19 . 1 1 12 12 SER HA H 12 5.038 5.038 4.873 0.165 25086 6341 1 19 . 1 1 12 12 SER CA C 12 56.293 56.293 54.889 1.404 25086 6342 1 19 . 1 1 12 12 SER CB C 12 65.254 65.254 65.041 0.213 25086 6343 1 19 . 1 1 12 12 SER H H 12 7.798 7.798 7.824 -0.026 25086 6344 1 19 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.924 -0.061 25086 6345 1 19 . 1 1 13 13 PRO C C 13 177.322 177.322 175.890 1.432 25086 6346 1 19 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.756 -0.627 25086 6347 1 19 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.847 0.771 25086 6348 1 19 . 1 1 14 14 ALA N N 14 125.096 125.096 127.955 -2.859 25086 6349 1 19 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.850 0.439 25086 6350 1 19 . 1 1 14 14 ALA C C 14 174.888 174.888 175.281 -0.393 25086 6351 1 19 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.165 0.605 25086 6352 1 19 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.937 1.334 25086 6353 1 19 . 1 1 14 14 ALA H H 14 9.419 9.419 9.210 0.209 25086 6354 1 19 . 1 1 15 15 VAL N N 15 116.316 116.316 122.632 -6.316 25086 6355 1 19 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.268 0.473 25086 6356 1 19 . 1 1 15 15 VAL C C 15 175.375 175.375 176.278 -0.903 25086 6357 1 19 . 1 1 15 15 VAL CA C 15 59.832 59.832 61.205 -1.373 25086 6358 1 19 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.773 1.768 25086 6359 1 19 . 1 1 15 15 VAL H H 15 8.491 8.491 8.469 0.022 25086 6360 1 19 . 1 1 16 16 ARG N N 16 125.595 125.595 126.068 -0.473 25086 6361 1 19 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.355 0.378 25086 6362 1 19 . 1 1 16 16 ARG C C 16 176.071 176.071 175.296 0.775 25086 6363 1 19 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.921 0.283 25086 6364 1 19 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.641 -0.148 25086 6365 1 19 . 1 1 16 16 ARG H H 16 8.812 8.812 8.448 0.364 25086 6366 1 19 . 1 1 17 17 ILE N N 17 123.572 123.572 126.350 -2.778 25086 6367 1 19 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.377 0.018 25086 6368 1 19 . 1 1 17 17 ILE CA C 17 56.591 56.591 56.958 -0.367 25086 6369 1 19 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.031 0.750 25086 6370 1 19 . 1 1 17 17 ILE H H 17 8.020 8.020 8.362 -0.342 25086 6371 1 19 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.478 -0.087 25086 6372 1 19 . 1 1 18 18 PRO C C 18 177.860 177.860 177.265 0.595 25086 6373 1 19 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.831 0.037 25086 6374 1 19 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.108 0.728 25086 6375 1 19 . 1 1 19 19 ALA N N 19 128.602 128.602 126.795 1.807 25086 6376 1 19 . 1 1 19 19 ALA HA H 19 3.938 3.938 3.968 -0.030 25086 6377 1 19 . 1 1 19 19 ALA C C 19 180.059 180.059 178.801 1.258 25086 6378 1 19 . 1 1 19 19 ALA CA C 19 55.875 55.875 54.757 1.118 25086 6379 1 19 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.831 -0.531 25086 6380 1 19 . 1 1 19 19 ALA H H 19 8.975 8.975 8.831 0.144 25086 6381 1 19 . 1 1 20 20 THR N N 20 108.352 108.352 113.954 -5.602 25086 6382 1 19 . 1 1 20 20 THR HA H 20 4.041 4.041 3.948 0.093 25086 6383 1 19 . 1 1 20 20 THR C C 20 177.381 177.381 176.371 1.010 25086 6384 1 19 . 1 1 20 20 THR CA C 20 64.688 64.688 66.636 -1.948 25086 6385 1 19 . 1 1 20 20 THR CB C 20 68.155 68.155 68.538 -0.383 25086 6386 1 19 . 1 1 20 20 THR H H 20 8.263 8.263 7.908 0.355 25086 6387 1 19 . 1 1 21 21 LEU N N 21 121.199 121.199 121.369 -0.170 25086 6388 1 19 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.184 0.042 25086 6389 1 19 . 1 1 21 21 LEU C C 21 178.002 178.002 178.582 -0.580 25086 6390 1 19 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.453 -0.510 25086 6391 1 19 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.163 -0.131 25086 6392 1 19 . 1 1 21 21 LEU H H 21 7.040 7.040 7.608 -0.568 25086 6393 1 19 . 1 1 22 22 MET N N 22 117.150 117.150 118.655 -1.505 25086 6394 1 19 . 1 1 22 22 MET HA H 22 4.019 4.019 3.942 0.077 25086 6395 1 19 . 1 1 22 22 MET C C 22 178.951 178.951 178.752 0.199 25086 6396 1 19 . 1 1 22 22 MET CA C 22 57.881 57.881 58.869 -0.988 25086 6397 1 19 . 1 1 22 22 MET CB C 22 30.803 30.803 31.370 -0.567 25086 6398 1 19 . 1 1 22 22 MET H H 22 7.415 7.415 8.226 -0.811 25086 6399 1 19 . 1 1 23 23 GLN N N 23 116.690 116.690 116.728 -0.038 25086 6400 1 19 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.113 0.047 25086 6401 1 19 . 1 1 23 23 GLN C C 23 179.589 179.589 178.622 0.967 25086 6402 1 19 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.285 0.230 25086 6403 1 19 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.480 -0.192 25086 6404 1 19 . 1 1 23 23 GLN H H 23 7.953 7.953 8.095 -0.142 25086 6405 1 19 . 1 1 24 24 ALA N N 24 122.104 122.104 121.785 0.319 25086 6406 1 19 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.204 -0.096 25086 6407 1 19 . 1 1 24 24 ALA C C 24 179.010 179.010 178.594 0.416 25086 6408 1 19 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.458 0.287 25086 6409 1 19 . 1 1 24 24 ALA CB C 24 18.719 18.719 18.980 -0.261 25086 6410 1 19 . 1 1 24 24 ALA H H 24 7.617 7.617 7.626 -0.009 25086 6411 1 19 . 1 1 25 25 LEU N N 25 115.630 115.630 115.970 -0.340 25086 6412 1 19 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.364 -0.058 25086 6413 1 19 . 1 1 25 25 LEU C C 25 175.862 175.862 176.578 -0.716 25086 6414 1 19 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.906 -0.897 25086 6415 1 19 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.474 1.143 25086 6416 1 19 . 1 1 25 25 LEU H H 25 7.381 7.381 7.978 -0.597 25086 6417 1 19 . 1 1 26 26 ASN N N 26 118.019 118.019 115.001 3.018 25086 6418 1 19 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.444 -0.155 25086 6419 1 19 . 1 1 26 26 ASN C C 26 173.478 173.478 174.649 -1.171 25086 6420 1 19 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.328 -0.135 25086 6421 1 19 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.240 0.118 25086 6422 1 19 . 1 1 26 26 ASN H H 26 7.966 7.966 7.838 0.128 25086 6423 1 19 . 1 1 27 27 LEU N N 27 118.539 118.539 115.327 3.212 25086 6424 1 19 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.675 -0.092 25086 6425 1 19 . 1 1 27 27 LEU C C 27 174.995 174.995 174.616 0.379 25086 6426 1 19 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.571 0.169 25086 6427 1 19 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.188 1.977 25086 6428 1 19 . 1 1 27 27 LEU H H 27 8.023 8.023 7.757 0.266 25086 6429 1 19 . 1 1 28 28 ASN N N 28 121.416 121.416 117.103 4.313 25086 6430 1 19 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.867 0.013 25086 6431 1 19 . 1 1 28 28 ASN C C 28 174.980 174.980 174.415 0.565 25086 6432 1 19 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.670 -0.326 25086 6433 1 19 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.607 0.946 25086 6434 1 19 . 1 1 28 28 ASN H H 28 8.889 8.889 8.213 0.676 25086 6435 1 19 . 1 1 29 29 ILE N N 29 120.022 120.022 121.345 -1.323 25086 6436 1 19 . 1 1 29 29 ILE HA H 29 3.327 3.327 3.976 -0.649 25086 6437 1 19 . 1 1 29 29 ILE C C 29 176.499 176.499 176.570 -0.071 25086 6438 1 19 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.789 0.455 25086 6439 1 19 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.252 -0.986 25086 6440 1 19 . 1 1 29 29 ILE H H 29 8.396 8.396 8.401 -0.005 25086 6441 1 19 . 1 1 30 30 ASP N N 30 121.326 121.326 121.033 0.293 25086 6442 1 19 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.373 0.028 25086 6443 1 19 . 1 1 30 30 ASP C C 30 175.994 175.994 174.907 1.087 25086 6444 1 19 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.367 2.576 25086 6445 1 19 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.270 -1.455 25086 6446 1 19 . 1 1 30 30 ASP H H 30 9.114 9.114 8.795 0.319 25086 6447 1 19 . 1 1 31 31 ASP N N 31 121.764 121.764 120.138 1.626 25086 6448 1 19 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.681 0.012 25086 6449 1 19 . 1 1 31 31 ASP C C 31 175.904 175.904 175.990 -0.086 25086 6450 1 19 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.367 0.925 25086 6451 1 19 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.051 -0.875 25086 6452 1 19 . 1 1 31 31 ASP H H 31 8.056 8.056 7.833 0.223 25086 6453 1 19 . 1 1 32 32 GLU N N 32 120.895 120.895 126.197 -5.302 25086 6454 1 19 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.367 0.329 25086 6455 1 19 . 1 1 32 32 GLU C C 32 176.717 176.717 174.971 1.746 25086 6456 1 19 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.297 0.112 25086 6457 1 19 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.558 0.746 25086 6458 1 19 . 1 1 32 32 GLU H H 32 8.683 8.683 8.658 0.025 25086 6459 1 19 . 1 1 33 33 VAL N N 33 114.605 114.605 119.764 -5.159 25086 6460 1 19 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.421 0.585 25086 6461 1 19 . 1 1 33 33 VAL C C 33 173.447 173.447 174.633 -1.186 25086 6462 1 19 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.307 -0.879 25086 6463 1 19 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.212 0.552 25086 6464 1 19 . 1 1 33 33 VAL H H 33 8.423 8.423 8.195 0.228 25086 6465 1 19 . 1 1 34 34 LYS N N 34 122.276 122.276 124.021 -1.745 25086 6466 1 19 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.530 0.237 25086 6467 1 19 . 1 1 34 34 LYS C C 34 175.062 175.062 175.680 -0.618 25086 6468 1 19 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.399 -0.747 25086 6469 1 19 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.483 1.374 25086 6470 1 19 . 1 1 34 34 LYS H H 34 8.989 8.989 8.439 0.550 25086 6471 1 19 . 1 1 35 35 ILE N N 35 124.021 124.021 127.154 -3.133 25086 6472 1 19 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.618 0.436 25086 6473 1 19 . 1 1 35 35 ILE C C 35 174.111 174.111 175.361 -1.250 25086 6474 1 19 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.205 0.033 25086 6475 1 19 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.591 2.398 25086 6476 1 19 . 1 1 35 35 ILE H H 35 8.717 8.717 8.710 0.007 25086 6477 1 19 . 1 1 36 36 ASP N N 36 126.126 126.126 128.259 -2.133 25086 6478 1 19 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.924 0.130 25086 6479 1 19 . 1 1 36 36 ASP C C 36 173.496 173.496 174.487 -0.991 25086 6480 1 19 . 1 1 36 36 ASP CA C 36 52.243 52.243 52.787 -0.544 25086 6481 1 19 . 1 1 36 36 ASP CB C 36 45.280 45.280 44.099 1.181 25086 6482 1 19 . 1 1 36 36 ASP H H 36 8.948 8.948 8.790 0.158 25086 6483 1 19 . 1 1 37 37 LEU N N 37 123.664 123.664 126.007 -2.343 25086 6484 1 19 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.085 0.116 25086 6485 1 19 . 1 1 37 37 LEU C C 37 175.865 175.865 175.587 0.278 25086 6486 1 19 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.103 -0.042 25086 6487 1 19 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.754 1.552 25086 6488 1 19 . 1 1 37 37 LEU H H 37 8.629 8.629 8.552 0.077 25086 6489 1 19 . 1 1 38 38 VAL N N 38 126.795 126.795 126.551 0.244 25086 6490 1 19 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.287 -0.098 25086 6491 1 19 . 1 1 38 38 VAL C C 38 175.379 175.379 174.990 0.389 25086 6492 1 19 . 1 1 38 38 VAL CA C 38 61.480 61.480 62.170 -0.690 25086 6493 1 19 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.764 0.339 25086 6494 1 19 . 1 1 38 38 VAL H H 38 8.772 8.772 8.333 0.439 25086 6495 1 19 . 1 1 39 39 ASP N N 39 127.355 127.355 128.183 -0.828 25086 6496 1 19 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.307 -0.086 25086 6497 1 19 . 1 1 39 39 ASP C C 39 175.944 175.944 176.593 -0.649 25086 6498 1 19 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.852 0.372 25086 6499 1 19 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.478 -0.472 25086 6500 1 19 . 1 1 39 39 ASP H H 39 9.154 9.154 9.095 0.059 25086 6501 1 19 . 1 1 40 40 GLY N N 40 103.124 103.124 102.417 0.707 25086 6502 1 19 . 1 1 40 40 GLY C C 40 172.842 172.842 173.921 -1.079 25086 6503 1 19 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.007 1.055 25086 6504 1 19 . 1 1 40 40 GLY H H 40 8.425 8.425 8.453 -0.028 25086 6505 1 19 . 1 1 41 41 LYS N N 41 117.155 117.155 120.646 -3.491 25086 6506 1 19 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.574 0.171 25086 6507 1 19 . 1 1 41 41 LYS C C 41 174.385 174.385 175.235 -0.850 25086 6508 1 19 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.726 -0.236 25086 6509 1 19 . 1 1 41 41 LYS CB C 41 35.244 35.244 34.657 0.587 25086 6510 1 19 . 1 1 41 41 LYS H H 41 7.676 7.676 7.822 -0.146 25086 6511 1 19 . 1 1 42 42 LEU N N 42 119.938 119.938 125.761 -5.823 25086 6512 1 19 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.472 0.594 25086 6513 1 19 . 1 1 42 42 LEU C C 42 174.895 174.895 176.590 -1.695 25086 6514 1 19 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.375 -0.815 25086 6515 1 19 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.564 0.884 25086 6516 1 19 . 1 1 42 42 LEU H H 42 8.585 8.585 8.513 0.072 25086 6517 1 19 . 1 1 43 43 ILE N N 43 123.764 123.764 126.238 -2.474 25086 6518 1 19 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.325 0.600 25086 6519 1 19 . 1 1 43 43 ILE C C 43 175.893 175.893 174.467 1.426 25086 6520 1 19 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.453 -0.166 25086 6521 1 19 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.542 0.636 25086 6522 1 19 . 1 1 43 43 ILE H H 43 9.075 9.075 9.042 0.033 25086 6523 1 19 . 1 1 44 44 ILE N N 44 126.815 126.815 128.589 -1.774 25086 6524 1 19 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.972 -0.016 25086 6525 1 19 . 1 1 44 44 ILE C C 44 174.230 174.230 176.039 -1.809 25086 6526 1 19 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.890 1.328 25086 6527 1 19 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.268 0.893 25086 6528 1 19 . 1 1 44 44 ILE H H 44 9.411 9.411 8.678 0.733 25086 6529 1 19 . 1 1 45 45 GLU N N 45 126.742 126.742 128.046 -1.304 25086 6530 1 19 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.902 0.272 25086 6531 1 19 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.921 -0.970 25086 6532 1 19 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.704 1.162 25086 6533 1 19 . 1 1 45 45 GLU H H 45 8.929 8.929 8.314 0.615 25086 6534 1 19 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.528 0.024 25086 6535 1 19 . 1 1 46 46 PRO C C 46 175.856 175.856 176.150 -0.294 25086 6536 1 19 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.185 1.030 25086 6537 1 19 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.725 -0.287 25086 6538 1 19 . 1 1 47 47 VAL N N 47 123.846 123.846 120.731 3.115 25086 6539 1 19 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.317 -0.300 25086 6540 1 19 . 1 1 47 47 VAL C C 47 175.776 175.776 175.154 0.622 25086 6541 1 19 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.035 1.621 25086 6542 1 19 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.621 -0.350 25086 6543 1 19 . 1 1 47 47 VAL H H 47 7.893 7.893 8.235 -0.342 25086 6544 1 19 . 1 1 48 48 ARG N N 48 126.674 126.674 128.146 -1.472 25086 6545 1 19 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.329 0.077 25086 6546 1 19 . 1 1 48 48 ARG C C 48 175.887 175.887 175.881 0.006 25086 6547 1 19 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.139 -0.619 25086 6548 1 19 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.837 -0.036 25086 6549 1 19 . 1 1 48 48 ARG H H 48 8.646 8.646 8.650 -0.004 25086 6550 1 19 . 1 1 49 49 LYS N N 49 124.176 124.176 124.142 0.034 25086 6551 1 19 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.363 -0.004 25086 6552 1 19 . 1 1 49 49 LYS C C 49 175.579 175.579 175.853 -0.274 25086 6553 1 19 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.811 0.359 25086 6554 1 19 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.191 2.027 25086 6555 1 19 . 1 1 49 49 LYS H H 49 8.563 8.563 8.358 0.205 25086 6556 1 20 . 1 1 -15 -15 HIS HA H -15 4.607 4.607 4.794 -0.187 25086 6557 1 20 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.846 -0.041 25086 6558 1 20 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 55.773 0.325 25086 6559 1 20 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 28.842 1.538 25086 6560 1 20 . 1 1 -14 -14 LYS N N -14 122.750 122.750 120.175 2.575 25086 6561 1 20 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.049 0.194 25086 6562 1 20 . 1 1 -14 -14 LYS C C -14 176.150 176.150 174.826 1.324 25086 6563 1 20 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 56.208 0.140 25086 6564 1 20 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 31.991 0.994 25086 6565 1 20 . 1 1 -14 -14 LYS H H -14 8.354 8.354 7.918 0.436 25086 6566 1 20 . 1 1 -13 -13 VAL N N -13 121.546 121.546 120.785 0.761 25086 6567 1 20 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.191 -0.213 25086 6568 1 20 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.427 0.184 25086 6569 1 20 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.538 -0.390 25086 6570 1 20 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 31.583 1.232 25086 6571 1 20 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.260 -0.162 25086 6572 1 20 . 1 1 -12 -12 HIS N N -12 123.329 123.329 128.433 -5.104 25086 6573 1 20 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 55.662 -0.136 25086 6574 1 20 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 30.102 0.338 25086 6575 1 20 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.790 -0.352 25086 6576 1 20 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.345 0.261 25086 6577 1 20 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.659 0.055 25086 6578 1 20 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 56.382 -0.401 25086 6579 1 20 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.598 -0.692 25086 6580 1 20 . 1 1 -6 -6 MET N N -6 122.431 122.431 123.057 -0.626 25086 6581 1 20 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.804 -0.351 25086 6582 1 20 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.689 0.402 25086 6583 1 20 . 1 1 -6 -6 MET CA C -6 55.658 55.658 54.022 1.636 25086 6584 1 20 . 1 1 -6 -6 MET CB C -6 32.952 32.952 31.151 1.801 25086 6585 1 20 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.282 0.238 25086 6586 1 20 . 1 1 -5 -5 SER N N -5 116.616 116.616 117.932 -1.316 25086 6587 1 20 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.272 0.172 25086 6588 1 20 . 1 1 -5 -5 SER C C -5 174.462 174.462 175.030 -0.568 25086 6589 1 20 . 1 1 -5 -5 SER CA C -5 58.379 58.379 60.001 -1.622 25086 6590 1 20 . 1 1 -5 -5 SER CB C -5 63.989 63.989 63.218 0.771 25086 6591 1 20 . 1 1 -5 -5 SER H H -5 8.410 8.410 7.825 0.585 25086 6592 1 20 . 1 1 -4 -4 ASP N N -4 122.320 122.320 120.688 1.632 25086 6593 1 20 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.379 0.223 25086 6594 1 20 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.701 -0.503 25086 6595 1 20 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.305 -1.525 25086 6596 1 20 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.460 0.657 25086 6597 1 20 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.391 0.038 25086 6598 1 20 . 1 1 -3 -3 ASP N N -3 119.793 119.793 118.396 1.397 25086 6599 1 20 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.459 0.105 25086 6600 1 20 . 1 1 -3 -3 ASP C C -3 176.246 176.246 177.295 -1.049 25086 6601 1 20 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 56.584 -1.855 25086 6602 1 20 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.333 -0.139 25086 6603 1 20 . 1 1 -3 -3 ASP H H -3 8.206 8.206 7.532 0.674 25086 6604 1 20 . 1 1 -2 -2 ASP N N -2 120.270 120.270 117.736 2.534 25086 6605 1 20 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.655 -0.088 25086 6606 1 20 . 1 1 -2 -2 ASP C C -2 176.053 176.053 175.649 0.404 25086 6607 1 20 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 54.673 0.065 25086 6608 1 20 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.864 -0.620 25086 6609 1 20 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.900 0.270 25086 6610 1 20 . 1 1 -1 -1 ASP N N -1 120.279 120.279 120.031 0.248 25086 6611 1 20 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.568 0.022 25086 6612 1 20 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.817 0.489 25086 6613 1 20 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.762 -0.347 25086 6614 1 20 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 40.047 1.057 25086 6615 1 20 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.617 0.608 25086 6616 1 20 . 1 1 0 0 LYS N N 0 121.408 121.408 123.516 -2.108 25086 6617 1 20 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.465 -0.080 25086 6618 1 20 . 1 1 0 0 LYS C C 0 177.017 177.017 175.668 1.349 25086 6619 1 20 . 1 1 0 0 LYS CA C 0 56.097 56.097 55.681 0.416 25086 6620 1 20 . 1 1 0 0 LYS CB C 0 32.969 32.969 33.054 -0.085 25086 6621 1 20 . 1 1 0 0 LYS H H 0 8.251 8.251 7.784 0.467 25086 6622 1 20 . 1 1 1 1 GLY N N 1 109.054 109.054 109.643 -0.589 25086 6623 1 20 . 1 1 1 1 GLY C C 1 173.630 173.630 173.520 0.110 25086 6624 1 20 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.556 0.729 25086 6625 1 20 . 1 1 1 1 GLY H H 1 8.370 8.370 7.789 0.581 25086 6626 1 20 . 1 1 2 2 ILE N N 2 120.862 120.862 123.954 -3.092 25086 6627 1 20 . 1 1 2 2 ILE HA H 2 4.297 4.297 3.929 0.368 25086 6628 1 20 . 1 1 2 2 ILE C C 2 175.993 175.993 175.615 0.378 25086 6629 1 20 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.391 -0.559 25086 6630 1 20 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.253 1.480 25086 6631 1 20 . 1 1 2 2 ILE H H 2 8.579 8.579 8.425 0.154 25086 6632 1 20 . 1 1 3 3 HIS N N 3 124.483 124.483 128.339 -3.856 25086 6633 1 20 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.647 0.587 25086 6634 1 20 . 1 1 3 3 HIS C C 3 174.751 174.751 175.304 -0.553 25086 6635 1 20 . 1 1 3 3 HIS CA C 3 55.285 55.285 56.280 -0.995 25086 6636 1 20 . 1 1 3 3 HIS CB C 3 30.076 30.076 29.333 0.743 25086 6637 1 20 . 1 1 3 3 HIS H H 3 8.920 8.920 8.572 0.348 25086 6638 1 20 . 1 1 4 4 SER N N 4 117.417 117.417 122.381 -4.964 25086 6639 1 20 . 1 1 4 4 SER HA H 4 4.712 4.712 4.671 0.041 25086 6640 1 20 . 1 1 4 4 SER C C 4 174.112 174.112 173.330 0.782 25086 6641 1 20 . 1 1 4 4 SER CA C 4 56.102 56.102 57.626 -1.524 25086 6642 1 20 . 1 1 4 4 SER CB C 4 64.679 64.679 65.047 -0.368 25086 6643 1 20 . 1 1 4 4 SER H H 4 8.925 8.925 8.600 0.325 25086 6644 1 20 . 1 1 5 5 SER N N 5 114.372 114.372 115.799 -1.427 25086 6645 1 20 . 1 1 5 5 SER HA H 5 5.390 5.390 4.534 0.856 25086 6646 1 20 . 1 1 5 5 SER C C 5 173.075 173.075 173.073 0.002 25086 6647 1 20 . 1 1 5 5 SER CA C 5 57.153 57.153 58.481 -1.328 25086 6648 1 20 . 1 1 5 5 SER CB C 5 65.752 65.752 64.960 0.792 25086 6649 1 20 . 1 1 5 5 SER H H 5 8.623 8.623 8.243 0.380 25086 6650 1 20 . 1 1 6 6 VAL N N 6 121.311 121.311 124.174 -2.863 25086 6651 1 20 . 1 1 6 6 VAL HA H 6 4.169 4.169 3.954 0.215 25086 6652 1 20 . 1 1 6 6 VAL C C 6 175.872 175.872 176.183 -0.311 25086 6653 1 20 . 1 1 6 6 VAL CA C 6 62.746 62.746 63.061 -0.315 25086 6654 1 20 . 1 1 6 6 VAL CB C 6 31.497 31.497 31.675 -0.178 25086 6655 1 20 . 1 1 6 6 VAL H H 6 8.384 8.384 8.511 -0.127 25086 6656 1 20 . 1 1 7 7 LYS N N 7 128.341 128.341 129.108 -0.767 25086 6657 1 20 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.766 0.199 25086 6658 1 20 . 1 1 7 7 LYS C C 7 174.655 174.655 174.888 -0.233 25086 6659 1 20 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.822 -0.213 25086 6660 1 20 . 1 1 7 7 LYS CB C 7 36.574 36.574 34.972 1.602 25086 6661 1 20 . 1 1 7 7 LYS H H 7 9.042 9.042 8.816 0.226 25086 6662 1 20 . 1 1 8 8 ARG N N 8 120.527 120.527 121.579 -1.052 25086 6663 1 20 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.720 -0.356 25086 6664 1 20 . 1 1 8 8 ARG C C 8 174.148 174.148 175.660 -1.512 25086 6665 1 20 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.958 0.218 25086 6666 1 20 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.424 0.082 25086 6667 1 20 . 1 1 8 8 ARG H H 8 8.791 8.791 8.675 0.116 25086 6668 1 20 . 1 1 9 9 TRP N N 9 131.164 131.164 130.708 0.456 25086 6669 1 20 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.707 -0.055 25086 6670 1 20 . 1 1 9 9 TRP C C 9 176.351 176.351 175.932 0.419 25086 6671 1 20 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.878 -1.841 25086 6672 1 20 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.113 -1.047 25086 6673 1 20 . 1 1 9 9 TRP H H 9 8.994 8.994 9.205 -0.211 25086 6674 1 20 . 1 1 10 10 GLY N N 10 117.757 117.757 118.011 -0.254 25086 6675 1 20 . 1 1 10 10 GLY C C 10 173.798 173.798 174.063 -0.265 25086 6676 1 20 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.246 1.077 25086 6677 1 20 . 1 1 10 10 GLY H H 10 9.134 9.134 8.196 0.938 25086 6678 1 20 . 1 1 11 11 ASN N N 11 125.396 125.396 123.846 1.550 25086 6679 1 20 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.963 -0.194 25086 6680 1 20 . 1 1 11 11 ASN C C 11 175.190 175.190 174.268 0.922 25086 6681 1 20 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.740 0.002 25086 6682 1 20 . 1 1 11 11 ASN CB C 11 39.310 39.310 39.553 -0.243 25086 6683 1 20 . 1 1 11 11 ASN H H 11 8.667 8.667 8.590 0.077 25086 6684 1 20 . 1 1 12 12 SER N N 12 115.939 115.939 117.013 -1.074 25086 6685 1 20 . 1 1 12 12 SER HA H 12 5.038 5.038 4.937 0.101 25086 6686 1 20 . 1 1 12 12 SER CA C 12 56.293 56.293 56.346 -0.054 25086 6687 1 20 . 1 1 12 12 SER CB C 12 65.254 65.254 65.165 0.089 25086 6688 1 20 . 1 1 12 12 SER H H 12 7.798 7.798 7.651 0.147 25086 6689 1 20 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.912 -0.049 25086 6690 1 20 . 1 1 13 13 PRO C C 13 177.322 177.322 175.911 1.411 25086 6691 1 20 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.645 -0.516 25086 6692 1 20 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.530 1.087 25086 6693 1 20 . 1 1 14 14 ALA N N 14 125.096 125.096 129.348 -4.252 25086 6694 1 20 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.842 0.447 25086 6695 1 20 . 1 1 14 14 ALA C C 14 174.888 174.888 175.243 -0.355 25086 6696 1 20 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.565 0.205 25086 6697 1 20 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.854 1.417 25086 6698 1 20 . 1 1 14 14 ALA H H 14 9.419 9.419 9.118 0.301 25086 6699 1 20 . 1 1 15 15 VAL N N 15 116.316 116.316 122.608 -6.292 25086 6700 1 20 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.357 0.384 25086 6701 1 20 . 1 1 15 15 VAL C C 15 175.375 175.375 175.678 -0.303 25086 6702 1 20 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.850 -1.018 25086 6703 1 20 . 1 1 15 15 VAL CB C 15 35.541 35.541 34.660 0.881 25086 6704 1 20 . 1 1 15 15 VAL H H 15 8.491 8.491 8.533 -0.042 25086 6705 1 20 . 1 1 16 16 ARG N N 16 125.595 125.595 128.444 -2.849 25086 6706 1 20 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.397 0.336 25086 6707 1 20 . 1 1 16 16 ARG C C 16 176.071 176.071 176.003 0.068 25086 6708 1 20 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.663 0.540 25086 6709 1 20 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.541 -0.048 25086 6710 1 20 . 1 1 16 16 ARG H H 16 8.812 8.812 8.607 0.205 25086 6711 1 20 . 1 1 17 17 ILE N N 17 123.572 123.572 126.874 -3.302 25086 6712 1 20 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.303 0.092 25086 6713 1 20 . 1 1 17 17 ILE CA C 17 56.591 56.591 58.185 -1.594 25086 6714 1 20 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.757 0.024 25086 6715 1 20 . 1 1 17 17 ILE H H 17 8.020 8.020 8.290 -0.270 25086 6716 1 20 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.437 -0.046 25086 6717 1 20 . 1 1 18 18 PRO C C 18 177.860 177.860 177.432 0.428 25086 6718 1 20 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.734 0.134 25086 6719 1 20 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.250 0.586 25086 6720 1 20 . 1 1 19 19 ALA N N 19 128.602 128.602 129.179 -0.577 25086 6721 1 20 . 1 1 19 19 ALA HA H 19 3.938 3.938 3.987 -0.049 25086 6722 1 20 . 1 1 19 19 ALA C C 19 180.059 180.059 179.758 0.301 25086 6723 1 20 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.271 0.604 25086 6724 1 20 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.271 0.028 25086 6725 1 20 . 1 1 19 19 ALA H H 19 8.975 8.975 8.770 0.205 25086 6726 1 20 . 1 1 20 20 THR N N 20 108.352 108.352 115.325 -6.973 25086 6727 1 20 . 1 1 20 20 THR HA H 20 4.041 4.041 4.177 -0.136 25086 6728 1 20 . 1 1 20 20 THR C C 20 177.381 177.381 176.386 0.995 25086 6729 1 20 . 1 1 20 20 THR CA C 20 64.688 64.688 65.869 -1.181 25086 6730 1 20 . 1 1 20 20 THR CB C 20 68.155 68.155 68.489 -0.334 25086 6731 1 20 . 1 1 20 20 THR H H 20 8.263 8.263 8.267 -0.004 25086 6732 1 20 . 1 1 21 21 LEU N N 21 121.199 121.199 121.426 -0.227 25086 6733 1 20 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.243 -0.017 25086 6734 1 20 . 1 1 21 21 LEU C C 21 178.002 178.002 178.559 -0.557 25086 6735 1 20 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.156 -0.213 25086 6736 1 20 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.292 -0.260 25086 6737 1 20 . 1 1 21 21 LEU H H 21 7.040 7.040 7.900 -0.860 25086 6738 1 20 . 1 1 22 22 MET N N 22 117.150 117.150 118.547 -1.397 25086 6739 1 20 . 1 1 22 22 MET HA H 22 4.019 4.019 3.960 0.059 25086 6740 1 20 . 1 1 22 22 MET C C 22 178.951 178.951 178.914 0.037 25086 6741 1 20 . 1 1 22 22 MET CA C 22 57.881 57.881 58.467 -0.586 25086 6742 1 20 . 1 1 22 22 MET CB C 22 30.803 30.803 31.168 -0.365 25086 6743 1 20 . 1 1 22 22 MET H H 22 7.415 7.415 7.985 -0.570 25086 6744 1 20 . 1 1 23 23 GLN N N 23 116.690 116.690 117.148 -0.458 25086 6745 1 20 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.139 0.021 25086 6746 1 20 . 1 1 23 23 GLN C C 23 179.589 179.589 178.070 1.519 25086 6747 1 20 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.287 0.228 25086 6748 1 20 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.437 -0.149 25086 6749 1 20 . 1 1 23 23 GLN H H 23 7.953 7.953 8.280 -0.327 25086 6750 1 20 . 1 1 24 24 ALA N N 24 122.104 122.104 120.730 1.374 25086 6751 1 20 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.232 -0.124 25086 6752 1 20 . 1 1 24 24 ALA C C 24 179.010 179.010 178.485 0.525 25086 6753 1 20 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.278 0.467 25086 6754 1 20 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.171 -0.452 25086 6755 1 20 . 1 1 24 24 ALA H H 24 7.617 7.617 7.546 0.071 25086 6756 1 20 . 1 1 25 25 LEU N N 25 115.630 115.630 116.805 -1.175 25086 6757 1 20 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.445 -0.139 25086 6758 1 20 . 1 1 25 25 LEU C C 25 175.862 175.862 176.232 -0.370 25086 6759 1 20 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.420 -0.411 25086 6760 1 20 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.690 0.927 25086 6761 1 20 . 1 1 25 25 LEU H H 25 7.381 7.381 7.825 -0.444 25086 6762 1 20 . 1 1 26 26 ASN N N 26 118.019 118.019 117.543 0.476 25086 6763 1 20 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.447 -0.158 25086 6764 1 20 . 1 1 26 26 ASN C C 26 173.478 173.478 173.767 -0.289 25086 6765 1 20 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.003 0.190 25086 6766 1 20 . 1 1 26 26 ASN CB C 26 37.358 37.358 36.923 0.435 25086 6767 1 20 . 1 1 26 26 ASN H H 26 7.966 7.966 7.701 0.265 25086 6768 1 20 . 1 1 27 27 LEU N N 27 118.539 118.539 114.762 3.777 25086 6769 1 20 . 1 1 27 27 LEU HA H 27 4.583 4.583 5.166 -0.583 25086 6770 1 20 . 1 1 27 27 LEU C C 27 174.995 174.995 174.931 0.064 25086 6771 1 20 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.305 0.435 25086 6772 1 20 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.873 1.292 25086 6773 1 20 . 1 1 27 27 LEU H H 27 8.023 8.023 8.049 -0.026 25086 6774 1 20 . 1 1 28 28 ASN N N 28 121.416 121.416 116.937 4.479 25086 6775 1 20 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.951 -0.071 25086 6776 1 20 . 1 1 28 28 ASN C C 28 174.980 174.980 174.217 0.763 25086 6777 1 20 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.939 -0.595 25086 6778 1 20 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.499 1.054 25086 6779 1 20 . 1 1 28 28 ASN H H 28 8.889 8.889 8.205 0.684 25086 6780 1 20 . 1 1 29 29 ILE N N 29 120.022 120.022 120.776 -0.754 25086 6781 1 20 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.167 -0.840 25086 6782 1 20 . 1 1 29 29 ILE C C 29 176.499 176.499 176.872 -0.373 25086 6783 1 20 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.411 0.833 25086 6784 1 20 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.154 -0.888 25086 6785 1 20 . 1 1 29 29 ILE H H 29 8.396 8.396 8.342 0.054 25086 6786 1 20 . 1 1 30 30 ASP N N 30 121.326 121.326 122.877 -1.551 25086 6787 1 20 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.370 0.031 25086 6788 1 20 . 1 1 30 30 ASP C C 30 175.994 175.994 174.828 1.166 25086 6789 1 20 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.096 2.847 25086 6790 1 20 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.587 -1.772 25086 6791 1 20 . 1 1 30 30 ASP H H 30 9.114 9.114 8.775 0.339 25086 6792 1 20 . 1 1 31 31 ASP N N 31 121.764 121.764 119.307 2.457 25086 6793 1 20 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.725 -0.032 25086 6794 1 20 . 1 1 31 31 ASP C C 31 175.904 175.904 175.632 0.272 25086 6795 1 20 . 1 1 31 31 ASP CA C 31 55.292 55.292 53.713 1.579 25086 6796 1 20 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.628 -1.452 25086 6797 1 20 . 1 1 31 31 ASP H H 31 8.056 8.056 8.005 0.051 25086 6798 1 20 . 1 1 32 32 GLU N N 32 120.895 120.895 124.575 -3.680 25086 6799 1 20 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.527 0.169 25086 6800 1 20 . 1 1 32 32 GLU C C 32 176.717 176.717 175.054 1.663 25086 6801 1 20 . 1 1 32 32 GLU CA C 32 56.409 56.409 55.793 0.616 25086 6802 1 20 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.690 0.614 25086 6803 1 20 . 1 1 32 32 GLU H H 32 8.683 8.683 8.550 0.133 25086 6804 1 20 . 1 1 33 33 VAL N N 33 114.605 114.605 119.543 -4.938 25086 6805 1 20 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.449 0.557 25086 6806 1 20 . 1 1 33 33 VAL C C 33 173.447 173.447 174.830 -1.383 25086 6807 1 20 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.243 -0.815 25086 6808 1 20 . 1 1 33 33 VAL CB C 33 35.764 35.764 34.711 1.053 25086 6809 1 20 . 1 1 33 33 VAL H H 33 8.423 8.423 8.283 0.140 25086 6810 1 20 . 1 1 34 34 LYS N N 34 122.276 122.276 123.454 -1.178 25086 6811 1 20 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.502 0.265 25086 6812 1 20 . 1 1 34 34 LYS C C 34 175.062 175.062 175.699 -0.637 25086 6813 1 20 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.369 -0.717 25086 6814 1 20 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.250 1.607 25086 6815 1 20 . 1 1 34 34 LYS H H 34 8.989 8.989 8.207 0.782 25086 6816 1 20 . 1 1 35 35 ILE N N 35 124.021 124.021 126.772 -2.751 25086 6817 1 20 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.429 0.625 25086 6818 1 20 . 1 1 35 35 ILE C C 35 174.111 174.111 175.319 -1.208 25086 6819 1 20 . 1 1 35 35 ILE CA C 35 60.238 60.238 59.268 0.970 25086 6820 1 20 . 1 1 35 35 ILE CB C 35 39.989 39.989 35.636 4.353 25086 6821 1 20 . 1 1 35 35 ILE H H 35 8.717 8.717 8.674 0.043 25086 6822 1 20 . 1 1 36 36 ASP N N 36 126.126 126.126 128.216 -2.090 25086 6823 1 20 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.829 0.225 25086 6824 1 20 . 1 1 36 36 ASP C C 36 173.496 173.496 174.565 -1.069 25086 6825 1 20 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.044 -0.800 25086 6826 1 20 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.594 1.686 25086 6827 1 20 . 1 1 36 36 ASP H H 36 8.948 8.948 8.611 0.337 25086 6828 1 20 . 1 1 37 37 LEU N N 37 123.664 123.664 126.211 -2.547 25086 6829 1 20 . 1 1 37 37 LEU HA H 37 5.201 5.201 4.892 0.309 25086 6830 1 20 . 1 1 37 37 LEU C C 37 175.865 175.865 175.719 0.146 25086 6831 1 20 . 1 1 37 37 LEU CA C 37 54.061 54.061 54.245 -0.184 25086 6832 1 20 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.331 1.975 25086 6833 1 20 . 1 1 37 37 LEU H H 37 8.629 8.629 8.606 0.023 25086 6834 1 20 . 1 1 38 38 VAL N N 38 126.795 126.795 126.847 -0.052 25086 6835 1 20 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.315 -0.126 25086 6836 1 20 . 1 1 38 38 VAL C C 38 175.379 175.379 175.099 0.280 25086 6837 1 20 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.690 -0.210 25086 6838 1 20 . 1 1 38 38 VAL CB C 38 35.102 35.102 35.178 -0.076 25086 6839 1 20 . 1 1 38 38 VAL H H 38 8.772 8.772 8.555 0.217 25086 6840 1 20 . 1 1 39 39 ASP N N 39 127.355 127.355 127.737 -0.382 25086 6841 1 20 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.267 -0.046 25086 6842 1 20 . 1 1 39 39 ASP C C 39 175.944 175.944 177.029 -1.085 25086 6843 1 20 . 1 1 39 39 ASP CA C 39 55.224 55.224 54.923 0.301 25086 6844 1 20 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.596 -0.590 25086 6845 1 20 . 1 1 39 39 ASP H H 39 9.154 9.154 9.199 -0.045 25086 6846 1 20 . 1 1 40 40 GLY N N 40 103.124 103.124 102.442 0.682 25086 6847 1 20 . 1 1 40 40 GLY C C 40 172.842 172.842 173.930 -1.088 25086 6848 1 20 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.140 0.922 25086 6849 1 20 . 1 1 40 40 GLY H H 40 8.425 8.425 8.314 0.111 25086 6850 1 20 . 1 1 41 41 LYS N N 41 117.155 117.155 119.499 -2.344 25086 6851 1 20 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.714 0.031 25086 6852 1 20 . 1 1 41 41 LYS C C 41 174.385 174.385 174.812 -0.427 25086 6853 1 20 . 1 1 41 41 LYS CA C 41 54.490 54.490 53.745 0.745 25086 6854 1 20 . 1 1 41 41 LYS CB C 41 35.244 35.244 35.182 0.062 25086 6855 1 20 . 1 1 41 41 LYS H H 41 7.676 7.676 8.157 -0.481 25086 6856 1 20 . 1 1 42 42 LEU N N 42 119.938 119.938 122.622 -2.684 25086 6857 1 20 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.402 0.664 25086 6858 1 20 . 1 1 42 42 LEU C C 42 174.895 174.895 176.542 -1.647 25086 6859 1 20 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.347 -0.787 25086 6860 1 20 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.440 1.008 25086 6861 1 20 . 1 1 42 42 LEU H H 42 8.585 8.585 8.567 0.018 25086 6862 1 20 . 1 1 43 43 ILE N N 43 123.764 123.764 126.015 -2.251 25086 6863 1 20 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.320 0.605 25086 6864 1 20 . 1 1 43 43 ILE C C 43 175.893 175.893 174.602 1.291 25086 6865 1 20 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.416 -0.129 25086 6866 1 20 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.683 0.495 25086 6867 1 20 . 1 1 43 43 ILE H H 43 9.075 9.075 8.645 0.430 25086 6868 1 20 . 1 1 44 44 ILE N N 44 126.815 126.815 127.961 -1.146 25086 6869 1 20 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.753 0.203 25086 6870 1 20 . 1 1 44 44 ILE C C 44 174.230 174.230 176.036 -1.806 25086 6871 1 20 . 1 1 44 44 ILE CA C 44 60.218 60.218 58.483 1.735 25086 6872 1 20 . 1 1 44 44 ILE CB C 44 39.161 39.161 37.328 1.833 25086 6873 1 20 . 1 1 44 44 ILE H H 44 9.411 9.411 8.556 0.855 25086 6874 1 20 . 1 1 45 45 GLU N N 45 126.742 126.742 130.358 -3.616 25086 6875 1 20 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.947 0.227 25086 6876 1 20 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.542 -0.591 25086 6877 1 20 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.827 1.039 25086 6878 1 20 . 1 1 45 45 GLU H H 45 8.929 8.929 8.274 0.655 25086 6879 1 20 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.812 -0.260 25086 6880 1 20 . 1 1 46 46 PRO C C 46 175.856 175.856 176.083 -0.227 25086 6881 1 20 . 1 1 46 46 PRO CA C 46 63.215 63.215 61.977 1.238 25086 6882 1 20 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.669 -0.231 25086 6883 1 20 . 1 1 47 47 VAL N N 47 123.846 123.846 121.282 2.564 25086 6884 1 20 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.141 -0.124 25086 6885 1 20 . 1 1 47 47 VAL C C 47 175.776 175.776 175.405 0.371 25086 6886 1 20 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.591 1.065 25086 6887 1 20 . 1 1 47 47 VAL CB C 47 32.271 32.271 31.273 0.997 25086 6888 1 20 . 1 1 47 47 VAL H H 47 7.893 7.893 8.102 -0.209 25086 6889 1 20 . 1 1 48 48 ARG N N 48 126.674 126.674 127.954 -1.280 25086 6890 1 20 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.433 -0.027 25086 6891 1 20 . 1 1 48 48 ARG C C 48 175.887 175.887 176.293 -0.406 25086 6892 1 20 . 1 1 48 48 ARG CA C 48 55.520 55.520 55.870 -0.350 25086 6893 1 20 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.963 -0.162 25086 6894 1 20 . 1 1 48 48 ARG H H 48 8.646 8.646 8.312 0.334 25086 6895 1 20 . 1 1 49 49 LYS N N 49 124.176 124.176 124.930 -0.754 25086 6896 1 20 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.345 0.014 25086 6897 1 20 . 1 1 49 49 LYS C C 49 175.579 175.579 176.251 -0.672 25086 6898 1 20 . 1 1 49 49 LYS CA C 49 56.170 56.170 56.322 -0.152 25086 6899 1 20 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.685 1.533 25086 6900 1 20 . 1 1 49 49 LYS H H 49 8.563 8.563 8.528 0.035 25086 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 56 3.229 1.144 3.048 25086 2 1 1 "Average Difference" HA 63 0.273 -0.042 0.272 25086 3 1 1 "Average Difference" C 57 0.789 0.041 0.795 25086 4 1 1 "Average Difference" CA 61 0.976 0.095 0.979 25086 5 1 1 "Average Difference" CB 58 0.942 -0.368 0.875 25086 6 1 1 "Average Difference" HN 56 0.343 -0.061 0.341 25086 7 1 2 "Average Difference" N 56 2.511 0.747 2.419 25086 8 1 2 "Average Difference" HA 63 0.272 -0.055 0.269 25086 9 1 2 "Average Difference" C 57 0.728 0.050 0.733 25086 10 1 2 "Average Difference" CA 61 1.020 0.096 1.024 25086 11 1 2 "Average Difference" CB 58 1.106 -0.312 1.070 25086 12 1 2 "Average Difference" HN 56 0.412 -0.159 0.384 25086 13 1 3 "Average Difference" N 56 2.685 0.564 2.649 25086 14 1 3 "Average Difference" HA 63 0.253 -0.040 0.252 25086 15 1 3 "Average Difference" C 57 0.868 -0.012 0.876 25086 16 1 3 "Average Difference" CA 61 0.895 0.071 0.900 25086 17 1 3 "Average Difference" CB 58 1.100 -0.357 1.050 25086 18 1 3 "Average Difference" HN 56 0.446 -0.144 0.426 25086 19 1 4 "Average Difference" N 56 3.005 0.519 2.987 25086 20 1 4 "Average Difference" HA 63 0.297 -0.051 0.295 25086 21 1 4 "Average Difference" C 57 0.762 -0.039 0.768 25086 22 1 4 "Average Difference" CA 61 1.005 0.118 1.006 25086 23 1 4 "Average Difference" CB 58 1.043 -0.330 0.998 25086 24 1 4 "Average Difference" HN 56 0.382 -0.138 0.359 25086 25 1 5 "Average Difference" N 56 2.312 0.640 2.242 25086 26 1 5 "Average Difference" HA 63 0.257 -0.045 0.255 25086 27 1 5 "Average Difference" C 57 0.763 0.038 0.769 25086 28 1 5 "Average Difference" CA 61 1.012 0.132 1.012 25086 29 1 5 "Average Difference" CB 58 0.921 -0.241 0.897 25086 30 1 5 "Average Difference" HN 56 0.352 -0.077 0.347 25086 31 1 6 "Average Difference" N 56 2.809 0.950 2.667 25086 32 1 6 "Average Difference" HA 63 0.277 -0.084 0.266 25086 33 1 6 "Average Difference" C 57 0.853 -0.027 0.860 25086 34 1 6 "Average Difference" CA 61 0.963 0.122 0.963 25086 35 1 6 "Average Difference" CB 58 1.028 -0.260 1.004 25086 36 1 6 "Average Difference" HN 56 0.371 -0.130 0.351 25086 37 1 7 "Average Difference" N 56 2.781 0.807 2.686 25086 38 1 7 "Average Difference" HA 63 0.259 -0.084 0.247 25086 39 1 7 "Average Difference" C 57 0.859 0.084 0.863 25086 40 1 7 "Average Difference" CA 61 0.946 0.127 0.946 25086 41 1 7 "Average Difference" CB 58 1.046 -0.391 0.979 25086 42 1 7 "Average Difference" HN 56 0.392 -0.122 0.376 25086 43 1 8 "Average Difference" N 56 2.906 1.090 2.718 25086 44 1 8 "Average Difference" HA 63 0.268 -0.063 0.262 25086 45 1 8 "Average Difference" C 57 0.928 0.020 0.936 25086 46 1 8 "Average Difference" CA 61 1.132 0.086 1.138 25086 47 1 8 "Average Difference" CB 58 1.292 -0.278 1.273 25086 48 1 8 "Average Difference" HN 56 0.386 -0.098 0.377 25086 49 1 9 "Average Difference" N 56 2.613 0.489 2.590 25086 50 1 9 "Average Difference" HA 63 0.277 -0.042 0.276 25086 51 1 9 "Average Difference" C 57 0.797 -0.050 0.802 25086 52 1 9 "Average Difference" CA 61 0.979 0.030 0.986 25086 53 1 9 "Average Difference" CB 58 1.184 -0.341 1.144 25086 54 1 9 "Average Difference" HN 56 0.349 -0.078 0.343 25086 55 1 10 "Average Difference" N 56 2.818 0.702 2.754 25086 56 1 10 "Average Difference" HA 63 0.280 -0.091 0.267 25086 57 1 10 "Average Difference" C 57 0.838 0.081 0.842 25086 58 1 10 "Average Difference" CA 61 0.875 0.075 0.879 25086 59 1 10 "Average Difference" CB 58 1.154 -0.415 1.086 25086 60 1 10 "Average Difference" HN 56 0.418 -0.181 0.380 25086 61 1 11 "Average Difference" N 56 2.498 0.708 2.417 25086 62 1 11 "Average Difference" HA 63 0.291 -0.050 0.289 25086 63 1 11 "Average Difference" C 57 0.786 0.043 0.791 25086 64 1 11 "Average Difference" CA 61 0.972 0.016 0.980 25086 65 1 11 "Average Difference" CB 58 1.167 -0.418 1.099 25086 66 1 11 "Average Difference" HN 56 0.398 -0.123 0.382 25086 67 1 12 "Average Difference" N 56 2.762 0.828 2.659 25086 68 1 12 "Average Difference" HA 63 0.265 -0.079 0.255 25086 69 1 12 "Average Difference" C 57 0.764 0.063 0.769 25086 70 1 12 "Average Difference" CA 61 0.879 0.068 0.884 25086 71 1 12 "Average Difference" CB 58 0.959 -0.377 0.889 25086 72 1 12 "Average Difference" HN 56 0.349 -0.069 0.345 25086 73 1 13 "Average Difference" N 56 2.612 1.077 2.401 25086 74 1 13 "Average Difference" HA 63 0.283 -0.097 0.268 25086 75 1 13 "Average Difference" C 57 0.803 0.096 0.804 25086 76 1 13 "Average Difference" CA 61 1.003 0.163 0.998 25086 77 1 13 "Average Difference" CB 58 1.109 -0.475 1.011 25086 78 1 13 "Average Difference" HN 56 0.368 -0.148 0.340 25086 79 1 14 "Average Difference" N 56 2.511 1.081 2.288 25086 80 1 14 "Average Difference" HA 63 0.280 -0.055 0.277 25086 81 1 14 "Average Difference" C 57 0.774 -0.015 0.781 25086 82 1 14 "Average Difference" CA 61 0.953 0.125 0.953 25086 83 1 14 "Average Difference" CB 58 0.999 -0.341 0.947 25086 84 1 14 "Average Difference" HN 56 0.368 -0.105 0.356 25086 85 1 15 "Average Difference" N 56 2.847 1.037 2.675 25086 86 1 15 "Average Difference" HA 63 0.298 -0.092 0.286 25086 87 1 15 "Average Difference" C 57 0.811 0.067 0.815 25086 88 1 15 "Average Difference" CA 61 1.012 0.119 1.013 25086 89 1 15 "Average Difference" CB 58 1.049 -0.381 0.986 25086 90 1 15 "Average Difference" HN 56 0.334 -0.082 0.327 25086 91 1 16 "Average Difference" N 56 2.583 0.687 2.512 25086 92 1 16 "Average Difference" HA 63 0.296 -0.102 0.280 25086 93 1 16 "Average Difference" C 57 0.810 -0.074 0.814 25086 94 1 16 "Average Difference" CA 61 0.880 0.029 0.887 25086 95 1 16 "Average Difference" CB 58 1.043 -0.357 0.989 25086 96 1 16 "Average Difference" HN 56 0.422 -0.139 0.402 25086 97 1 17 "Average Difference" N 56 2.659 0.727 2.581 25086 98 1 17 "Average Difference" HA 63 0.251 -0.060 0.246 25086 99 1 17 "Average Difference" C 57 0.770 0.046 0.776 25086 100 1 17 "Average Difference" CA 61 0.852 0.118 0.851 25086 101 1 17 "Average Difference" CB 58 0.921 -0.311 0.874 25086 102 1 17 "Average Difference" HN 56 0.316 -0.059 0.313 25086 103 1 18 "Average Difference" N 56 2.727 0.277 2.738 25086 104 1 18 "Average Difference" HA 63 0.259 -0.052 0.256 25086 105 1 18 "Average Difference" C 57 0.854 0.068 0.859 25086 106 1 18 "Average Difference" CA 61 1.163 0.179 1.158 25086 107 1 18 "Average Difference" CB 58 1.072 -0.299 1.038 25086 108 1 18 "Average Difference" HN 56 0.372 -0.081 0.366 25086 109 1 19 "Average Difference" N 56 2.792 0.781 2.705 25086 110 1 19 "Average Difference" HA 63 0.273 -0.097 0.257 25086 111 1 19 "Average Difference" C 57 0.783 0.022 0.790 25086 112 1 19 "Average Difference" CA 61 0.914 0.097 0.917 25086 113 1 19 "Average Difference" CB 58 0.991 -0.339 0.939 25086 114 1 19 "Average Difference" HN 56 0.375 -0.132 0.355 25086 115 1 20 "Average Difference" N 56 2.639 1.136 2.404 25086 116 1 20 "Average Difference" HA 63 0.303 -0.069 0.297 25086 117 1 20 "Average Difference" C 57 0.816 0.014 0.823 25086 118 1 20 "Average Difference" CA 61 0.929 0.060 0.935 25086 119 1 20 "Average Difference" CB 58 1.118 -0.500 1.009 25086 120 1 20 "Average Difference" HN 56 0.389 -0.157 0.359 25086 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 25086 _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 -15 -15 HIS HA H -15 4.607 4.607 4.737 -0.130 25086 2 1 . 1 1 -15 -15 HIS C C -15 174.805 174.805 174.792 0.012 25086 3 1 . 1 1 -15 -15 HIS CA C -15 56.098 56.098 56.084 0.014 25086 4 1 . 1 1 -15 -15 HIS CB C -15 30.380 30.380 30.786 -0.406 25086 5 1 . 1 1 -14 -14 LYS N N -14 122.750 122.750 123.046 -0.296 25086 6 1 . 1 1 -14 -14 LYS HA H -14 4.243 4.243 4.359 -0.116 25086 7 1 . 1 1 -14 -14 LYS C C -14 176.150 176.150 175.928 0.222 25086 8 1 . 1 1 -14 -14 LYS CA C -14 56.348 56.348 55.960 0.388 25086 9 1 . 1 1 -14 -14 LYS CB C -14 32.985 32.985 32.692 0.293 25086 10 1 . 1 1 -14 -14 LYS H H -14 8.354 8.354 8.343 0.011 25086 11 1 . 1 1 -13 -13 VAL N N -13 121.546 121.546 119.802 1.744 25086 12 1 . 1 1 -13 -13 VAL HA H -13 3.978 3.978 4.046 -0.068 25086 13 1 . 1 1 -13 -13 VAL C C -13 175.611 175.611 175.839 -0.228 25086 14 1 . 1 1 -13 -13 VAL CA C -13 62.148 62.148 62.568 -0.420 25086 15 1 . 1 1 -13 -13 VAL CB C -13 32.815 32.815 32.249 0.566 25086 16 1 . 1 1 -13 -13 VAL H H -13 8.098 8.098 8.087 0.011 25086 17 1 . 1 1 -12 -12 HIS N N -12 123.329 123.329 122.045 1.284 25086 18 1 . 1 1 -12 -12 HIS CA C -12 55.526 55.526 56.103 -0.577 25086 19 1 . 1 1 -12 -12 HIS CB C -12 30.440 30.440 29.311 1.129 25086 20 1 . 1 1 -12 -12 HIS H H -12 8.438 8.438 8.296 0.142 25086 21 1 . 1 1 -7 -7 HIS HA H -7 4.606 4.606 4.614 -0.008 25086 22 1 . 1 1 -7 -7 HIS C C -7 174.714 174.714 174.680 0.033 25086 23 1 . 1 1 -7 -7 HIS CA C -7 55.981 55.981 55.611 0.370 25086 24 1 . 1 1 -7 -7 HIS CB C -7 29.905 29.905 30.960 -1.055 25086 25 1 . 1 1 -6 -6 MET N N -6 122.431 122.431 122.316 0.115 25086 26 1 . 1 1 -6 -6 MET HA H -6 4.453 4.453 4.584 -0.131 25086 27 1 . 1 1 -6 -6 MET C C -6 176.091 176.091 175.769 0.322 25086 28 1 . 1 1 -6 -6 MET CA C -6 55.658 55.658 55.377 0.281 25086 29 1 . 1 1 -6 -6 MET CB C -6 32.952 32.952 32.504 0.448 25086 30 1 . 1 1 -6 -6 MET H H -6 8.520 8.520 8.614 -0.094 25086 31 1 . 1 1 -5 -5 SER N N -5 116.616 116.616 117.585 -0.969 25086 32 1 . 1 1 -5 -5 SER HA H -5 4.444 4.444 4.403 0.041 25086 33 1 . 1 1 -5 -5 SER C C -5 174.462 174.462 174.847 -0.385 25086 34 1 . 1 1 -5 -5 SER CA C -5 58.379 58.379 59.205 -0.826 25086 35 1 . 1 1 -5 -5 SER CB C -5 63.989 63.989 63.479 0.510 25086 36 1 . 1 1 -5 -5 SER H H -5 8.410 8.410 8.382 0.028 25086 37 1 . 1 1 -4 -4 ASP N N -4 122.320 122.320 122.284 0.036 25086 38 1 . 1 1 -4 -4 ASP HA H -4 4.602 4.602 4.505 0.097 25086 39 1 . 1 1 -4 -4 ASP C C -4 176.198 176.198 176.989 -0.791 25086 40 1 . 1 1 -4 -4 ASP CA C -4 54.780 54.780 56.539 -1.759 25086 41 1 . 1 1 -4 -4 ASP CB C -4 41.117 41.117 40.894 0.223 25086 42 1 . 1 1 -4 -4 ASP H H -4 8.429 8.429 8.483 -0.055 25086 43 1 . 1 1 -3 -3 ASP N N -3 119.793 119.793 117.635 2.158 25086 44 1 . 1 1 -3 -3 ASP HA H -3 4.564 4.564 4.495 0.069 25086 45 1 . 1 1 -3 -3 ASP C C -3 176.246 176.246 176.902 -0.656 25086 46 1 . 1 1 -3 -3 ASP CA C -3 54.729 54.729 55.830 -1.101 25086 47 1 . 1 1 -3 -3 ASP CB C -3 41.194 41.194 41.013 0.180 25086 48 1 . 1 1 -3 -3 ASP H H -3 8.206 8.206 8.207 -0.000 25086 49 1 . 1 1 -2 -2 ASP N N -2 120.270 120.270 118.721 1.549 25086 50 1 . 1 1 -2 -2 ASP HA H -2 4.567 4.567 4.547 0.020 25086 51 1 . 1 1 -2 -2 ASP C C -2 176.053 176.053 176.152 -0.099 25086 52 1 . 1 1 -2 -2 ASP CA C -2 54.738 54.738 55.475 -0.738 25086 53 1 . 1 1 -2 -2 ASP CB C -2 41.244 41.244 41.756 -0.511 25086 54 1 . 1 1 -2 -2 ASP H H -2 8.170 8.170 7.927 0.243 25086 55 1 . 1 1 -1 -1 ASP N N -1 120.279 120.279 119.767 0.512 25086 56 1 . 1 1 -1 -1 ASP HA H -1 4.590 4.590 4.659 -0.069 25086 57 1 . 1 1 -1 -1 ASP C C -1 176.306 176.306 175.910 0.396 25086 58 1 . 1 1 -1 -1 ASP CA C -1 54.415 54.415 54.209 0.207 25086 59 1 . 1 1 -1 -1 ASP CB C -1 41.104 41.104 41.277 -0.173 25086 60 1 . 1 1 -1 -1 ASP H H -1 8.225 8.225 7.899 0.326 25086 61 1 . 1 1 0 0 LYS N N 0 121.408 121.408 123.602 -2.194 25086 62 1 . 1 1 0 0 LYS HA H 0 4.385 4.385 4.456 -0.071 25086 63 1 . 1 1 0 0 LYS C C 0 177.017 177.017 176.642 0.375 25086 64 1 . 1 1 0 0 LYS CA C 0 56.097 56.097 56.036 0.061 25086 65 1 . 1 1 0 0 LYS CB C 0 32.969 32.969 32.746 0.223 25086 66 1 . 1 1 0 0 LYS H H 0 8.251 8.251 8.152 0.099 25086 67 1 . 1 1 1 1 GLY N N 1 109.054 109.054 109.749 -0.695 25086 68 1 . 1 1 1 1 GLY C C 1 173.630 173.630 174.073 -0.443 25086 69 1 . 1 1 1 1 GLY CA C 1 45.285 45.285 44.986 0.299 25086 70 1 . 1 1 1 1 GLY H H 1 8.370 8.370 8.204 0.166 25086 71 1 . 1 1 2 2 ILE N N 2 120.862 120.862 122.622 -1.760 25086 72 1 . 1 1 2 2 ILE HA H 2 4.297 4.297 4.085 0.212 25086 73 1 . 1 1 2 2 ILE C C 2 175.993 175.993 175.583 0.410 25086 74 1 . 1 1 2 2 ILE CA C 2 60.832 60.832 61.180 -0.348 25086 75 1 . 1 1 2 2 ILE CB C 2 39.733 39.733 38.136 1.597 25086 76 1 . 1 1 2 2 ILE H H 2 8.579 8.579 8.000 0.579 25086 77 1 . 1 1 3 3 HIS N N 3 124.483 124.483 126.237 -1.754 25086 78 1 . 1 1 3 3 HIS HA H 3 5.234 5.234 4.783 0.451 25086 79 1 . 1 1 3 3 HIS C C 3 174.751 174.751 174.538 0.213 25086 80 1 . 1 1 3 3 HIS CA C 3 55.285 55.285 55.990 -0.705 25086 81 1 . 1 1 3 3 HIS CB C 3 30.076 30.076 30.232 -0.156 25086 82 1 . 1 1 3 3 HIS H H 3 8.920 8.920 8.580 0.340 25086 83 1 . 1 1 4 4 SER N N 4 117.417 117.417 119.350 -1.933 25086 84 1 . 1 1 4 4 SER HA H 4 4.712 4.712 4.764 -0.052 25086 85 1 . 1 1 4 4 SER C C 4 174.112 174.112 173.325 0.787 25086 86 1 . 1 1 4 4 SER CA C 4 56.102 56.102 57.602 -1.500 25086 87 1 . 1 1 4 4 SER CB C 4 64.679 64.679 64.893 -0.214 25086 88 1 . 1 1 4 4 SER H H 4 8.925 8.925 8.690 0.235 25086 89 1 . 1 1 5 5 SER N N 5 114.372 114.372 116.158 -1.786 25086 90 1 . 1 1 5 5 SER HA H 5 5.390 5.390 4.680 0.710 25086 91 1 . 1 1 5 5 SER C C 5 173.075 173.075 172.849 0.226 25086 92 1 . 1 1 5 5 SER CA C 5 57.153 57.153 58.082 -0.929 25086 93 1 . 1 1 5 5 SER CB C 5 65.752 65.752 64.888 0.864 25086 94 1 . 1 1 5 5 SER H H 5 8.623 8.623 8.208 0.415 25086 95 1 . 1 1 6 6 VAL N N 6 121.311 121.311 122.891 -1.580 25086 96 1 . 1 1 6 6 VAL HA H 6 4.169 4.169 4.169 -0.000 25086 97 1 . 1 1 6 6 VAL C C 6 175.872 175.872 175.960 -0.088 25086 98 1 . 1 1 6 6 VAL CA C 6 62.746 62.746 62.423 0.322 25086 99 1 . 1 1 6 6 VAL CB C 6 31.497 31.497 32.042 -0.545 25086 100 1 . 1 1 6 6 VAL H H 6 8.384 8.384 8.542 -0.158 25086 101 1 . 1 1 7 7 LYS N N 7 128.341 128.341 128.946 -0.605 25086 102 1 . 1 1 7 7 LYS HA H 7 4.965 4.965 4.793 0.172 25086 103 1 . 1 1 7 7 LYS C C 7 174.655 174.655 174.798 -0.143 25086 104 1 . 1 1 7 7 LYS CA C 7 53.609 53.609 53.724 -0.115 25086 105 1 . 1 1 7 7 LYS CB C 7 36.574 36.574 35.415 1.159 25086 106 1 . 1 1 7 7 LYS H H 7 9.042 9.042 8.833 0.209 25086 107 1 . 1 1 8 8 ARG N N 8 120.527 120.527 121.368 -0.841 25086 108 1 . 1 1 8 8 ARG HA H 8 4.364 4.364 4.683 -0.319 25086 109 1 . 1 1 8 8 ARG C C 8 174.148 174.148 175.573 -1.425 25086 110 1 . 1 1 8 8 ARG CA C 8 56.176 56.176 55.994 0.182 25086 111 1 . 1 1 8 8 ARG CB C 8 31.506 31.506 31.550 -0.044 25086 112 1 . 1 1 8 8 ARG H H 8 8.791 8.791 8.656 0.135 25086 113 1 . 1 1 9 9 TRP N N 9 131.164 131.164 130.538 0.626 25086 114 1 . 1 1 9 9 TRP HA H 9 4.652 4.652 4.716 -0.064 25086 115 1 . 1 1 9 9 TRP C C 9 176.351 176.351 175.866 0.485 25086 116 1 . 1 1 9 9 TRP CA C 9 53.037 53.037 54.881 -1.844 25086 117 1 . 1 1 9 9 TRP CB C 9 28.066 28.066 29.323 -1.257 25086 118 1 . 1 1 9 9 TRP H H 9 8.994 8.994 9.160 -0.166 25086 119 1 . 1 1 10 10 GLY N N 10 117.757 117.757 118.028 -0.271 25086 120 1 . 1 1 10 10 GLY C C 10 173.798 173.798 173.836 -0.038 25086 121 1 . 1 1 10 10 GLY CA C 10 47.324 47.324 46.378 0.946 25086 122 1 . 1 1 10 10 GLY H H 10 9.134 9.134 8.220 0.914 25086 123 1 . 1 1 11 11 ASN N N 11 125.396 125.396 123.003 2.393 25086 124 1 . 1 1 11 11 ASN HA H 11 4.769 4.769 4.880 -0.111 25086 125 1 . 1 1 11 11 ASN C C 11 175.190 175.190 174.346 0.844 25086 126 1 . 1 1 11 11 ASN CA C 11 52.742 52.742 52.580 0.162 25086 127 1 . 1 1 11 11 ASN CB C 11 39.310 39.310 38.828 0.482 25086 128 1 . 1 1 11 11 ASN H H 11 8.667 8.667 8.557 0.110 25086 129 1 . 1 1 12 12 SER N N 12 115.939 115.939 116.939 -1.000 25086 130 1 . 1 1 12 12 SER HA H 12 5.038 5.038 4.918 0.120 25086 131 1 . 1 1 12 12 SER CA C 12 56.293 56.293 55.550 0.743 25086 132 1 . 1 1 12 12 SER CB C 12 65.254 65.254 64.849 0.405 25086 133 1 . 1 1 12 12 SER H H 12 7.798 7.798 7.704 0.094 25086 134 1 . 1 1 13 13 PRO HA H 13 4.863 4.863 4.873 -0.009 25086 135 1 . 1 1 13 13 PRO C C 13 177.322 177.322 175.972 1.350 25086 136 1 . 1 1 13 13 PRO CA C 13 62.129 62.129 62.691 -0.562 25086 137 1 . 1 1 13 13 PRO CB C 13 32.618 32.618 31.741 0.877 25086 138 1 . 1 1 14 14 ALA N N 14 125.096 125.096 128.933 -3.837 25086 139 1 . 1 1 14 14 ALA HA H 14 5.289 5.289 4.893 0.396 25086 140 1 . 1 1 14 14 ALA C C 14 174.888 174.888 175.349 -0.461 25086 141 1 . 1 1 14 14 ALA CA C 14 51.770 51.770 51.227 0.543 25086 142 1 . 1 1 14 14 ALA CB C 14 24.271 24.271 22.791 1.480 25086 143 1 . 1 1 14 14 ALA H H 14 9.419 9.419 9.168 0.251 25086 144 1 . 1 1 15 15 VAL N N 15 116.316 116.316 122.470 -6.154 25086 145 1 . 1 1 15 15 VAL HA H 15 4.741 4.741 4.381 0.360 25086 146 1 . 1 1 15 15 VAL C C 15 175.375 175.375 176.003 -0.628 25086 147 1 . 1 1 15 15 VAL CA C 15 59.832 59.832 60.984 -1.152 25086 148 1 . 1 1 15 15 VAL CB C 15 35.541 35.541 33.716 1.825 25086 149 1 . 1 1 15 15 VAL H H 15 8.491 8.491 8.540 -0.049 25086 150 1 . 1 1 16 16 ARG N N 16 125.595 125.595 127.036 -1.441 25086 151 1 . 1 1 16 16 ARG HA H 16 4.733 4.733 4.347 0.386 25086 152 1 . 1 1 16 16 ARG C C 16 176.071 176.071 175.558 0.513 25086 153 1 . 1 1 16 16 ARG CA C 16 56.204 56.204 55.814 0.390 25086 154 1 . 1 1 16 16 ARG CB C 16 30.493 30.493 30.515 -0.022 25086 155 1 . 1 1 16 16 ARG H H 16 8.812 8.812 8.557 0.255 25086 156 1 . 1 1 17 17 ILE N N 17 123.572 123.572 126.840 -3.267 25086 157 1 . 1 1 17 17 ILE HA H 17 4.395 4.395 4.333 0.062 25086 158 1 . 1 1 17 17 ILE CA C 17 56.591 56.591 57.677 -1.086 25086 159 1 . 1 1 17 17 ILE CB C 17 38.781 38.781 38.480 0.301 25086 160 1 . 1 1 17 17 ILE H H 17 8.020 8.020 8.292 -0.272 25086 161 1 . 1 1 18 18 PRO HA H 18 4.391 4.391 4.458 -0.067 25086 162 1 . 1 1 18 18 PRO C C 18 177.860 177.860 177.307 0.553 25086 163 1 . 1 1 18 18 PRO CA C 18 62.868 62.868 62.608 0.260 25086 164 1 . 1 1 18 18 PRO CB C 18 32.836 32.836 32.333 0.503 25086 165 1 . 1 1 19 19 ALA N N 19 128.602 128.602 128.291 0.311 25086 166 1 . 1 1 19 19 ALA HA H 19 3.938 3.938 4.013 -0.075 25086 167 1 . 1 1 19 19 ALA C C 19 180.059 180.059 179.523 0.536 25086 168 1 . 1 1 19 19 ALA CA C 19 55.875 55.875 55.078 0.797 25086 169 1 . 1 1 19 19 ALA CB C 19 18.300 18.300 18.294 0.006 25086 170 1 . 1 1 19 19 ALA H H 19 8.975 8.975 8.750 0.225 25086 171 1 . 1 1 20 20 THR N N 20 108.352 108.352 115.149 -6.797 25086 172 1 . 1 1 20 20 THR HA H 20 4.041 4.041 4.062 -0.021 25086 173 1 . 1 1 20 20 THR C C 20 177.381 177.381 176.321 1.060 25086 174 1 . 1 1 20 20 THR CA C 20 64.688 64.688 66.338 -1.650 25086 175 1 . 1 1 20 20 THR CB C 20 68.155 68.155 68.378 -0.223 25086 176 1 . 1 1 20 20 THR H H 20 8.263 8.263 8.208 0.055 25086 177 1 . 1 1 21 21 LEU N N 21 121.199 121.199 121.358 -0.159 25086 178 1 . 1 1 21 21 LEU HA H 21 4.226 4.226 4.220 0.006 25086 179 1 . 1 1 21 21 LEU C C 21 178.002 178.002 178.560 -0.558 25086 180 1 . 1 1 21 21 LEU CA C 21 56.943 56.943 57.201 -0.258 25086 181 1 . 1 1 21 21 LEU CB C 21 41.032 41.032 41.180 -0.148 25086 182 1 . 1 1 21 21 LEU H H 21 7.040 7.040 7.758 -0.718 25086 183 1 . 1 1 22 22 MET N N 22 117.150 117.150 118.512 -1.362 25086 184 1 . 1 1 22 22 MET HA H 22 4.019 4.019 3.941 0.078 25086 185 1 . 1 1 22 22 MET C C 22 178.951 178.951 178.781 0.170 25086 186 1 . 1 1 22 22 MET CA C 22 57.881 57.881 58.901 -1.020 25086 187 1 . 1 1 22 22 MET CB C 22 30.803 30.803 31.423 -0.620 25086 188 1 . 1 1 22 22 MET H H 22 7.415 7.415 7.978 -0.563 25086 189 1 . 1 1 23 23 GLN N N 23 116.690 116.690 117.123 -0.433 25086 190 1 . 1 1 23 23 GLN HA H 23 4.160 4.160 4.118 0.042 25086 191 1 . 1 1 23 23 GLN C C 23 179.589 179.589 178.428 1.161 25086 192 1 . 1 1 23 23 GLN CA C 23 58.515 58.515 58.320 0.195 25086 193 1 . 1 1 23 23 GLN CB C 23 28.288 28.288 28.429 -0.141 25086 194 1 . 1 1 23 23 GLN H H 23 7.953 7.953 8.159 -0.207 25086 195 1 . 1 1 24 24 ALA N N 24 122.104 122.104 121.540 0.564 25086 196 1 . 1 1 24 24 ALA HA H 24 4.108 4.108 4.200 -0.092 25086 197 1 . 1 1 24 24 ALA C C 24 179.010 179.010 178.577 0.433 25086 198 1 . 1 1 24 24 ALA CA C 24 54.745 54.745 54.389 0.356 25086 199 1 . 1 1 24 24 ALA CB C 24 18.719 18.719 19.006 -0.287 25086 200 1 . 1 1 24 24 ALA H H 24 7.617 7.617 7.535 0.082 25086 201 1 . 1 1 25 25 LEU N N 25 115.630 115.630 116.219 -0.589 25086 202 1 . 1 1 25 25 LEU HA H 25 4.306 4.306 4.405 -0.099 25086 203 1 . 1 1 25 25 LEU C C 25 175.862 175.862 176.382 -0.520 25086 204 1 . 1 1 25 25 LEU CA C 25 54.009 54.009 54.611 -0.602 25086 205 1 . 1 1 25 25 LEU CB C 25 43.617 43.617 42.475 1.142 25086 206 1 . 1 1 25 25 LEU H H 25 7.381 7.381 7.888 -0.507 25086 207 1 . 1 1 26 26 ASN N N 26 118.019 118.019 115.729 2.290 25086 208 1 . 1 1 26 26 ASN HA H 26 4.289 4.289 4.418 -0.129 25086 209 1 . 1 1 26 26 ASN C C 26 173.478 173.478 174.212 -0.734 25086 210 1 . 1 1 26 26 ASN CA C 26 54.193 54.193 54.147 0.046 25086 211 1 . 1 1 26 26 ASN CB C 26 37.358 37.358 37.053 0.305 25086 212 1 . 1 1 26 26 ASN H H 26 7.966 7.966 7.687 0.279 25086 213 1 . 1 1 27 27 LEU N N 27 118.539 118.539 114.708 3.831 25086 214 1 . 1 1 27 27 LEU HA H 27 4.583 4.583 4.832 -0.249 25086 215 1 . 1 1 27 27 LEU C C 27 174.995 174.995 174.830 0.165 25086 216 1 . 1 1 27 27 LEU CA C 27 53.740 53.740 53.617 0.123 25086 217 1 . 1 1 27 27 LEU CB C 27 46.165 46.165 44.418 1.747 25086 218 1 . 1 1 27 27 LEU H H 27 8.023 8.023 7.939 0.084 25086 219 1 . 1 1 28 28 ASN N N 28 121.416 121.416 116.264 5.152 25086 220 1 . 1 1 28 28 ASN HA H 28 4.880 4.880 4.899 -0.019 25086 221 1 . 1 1 28 28 ASN C C 28 174.980 174.980 174.513 0.467 25086 222 1 . 1 1 28 28 ASN CA C 28 51.344 51.344 51.780 -0.436 25086 223 1 . 1 1 28 28 ASN CB C 28 42.553 42.553 41.324 1.229 25086 224 1 . 1 1 28 28 ASN H H 28 8.889 8.889 8.319 0.570 25086 225 1 . 1 1 29 29 ILE N N 29 120.022 120.022 121.038 -1.016 25086 226 1 . 1 1 29 29 ILE HA H 29 3.327 3.327 4.091 -0.764 25086 227 1 . 1 1 29 29 ILE C C 29 176.499 176.499 176.698 -0.199 25086 228 1 . 1 1 29 29 ILE CA C 29 63.244 63.244 62.607 0.637 25086 229 1 . 1 1 29 29 ILE CB C 29 36.266 36.266 37.051 -0.785 25086 230 1 . 1 1 29 29 ILE H H 29 8.396 8.396 8.410 -0.014 25086 231 1 . 1 1 30 30 ASP N N 30 121.326 121.326 122.646 -1.320 25086 232 1 . 1 1 30 30 ASP HA H 30 4.401 4.401 4.394 0.007 25086 233 1 . 1 1 30 30 ASP C C 30 175.994 175.994 175.073 0.921 25086 234 1 . 1 1 30 30 ASP CA C 30 57.943 57.943 55.157 2.786 25086 235 1 . 1 1 30 30 ASP CB C 30 38.815 38.815 40.498 -1.683 25086 236 1 . 1 1 30 30 ASP H H 30 9.114 9.114 8.758 0.356 25086 237 1 . 1 1 31 31 ASP N N 31 121.764 121.764 119.781 1.983 25086 238 1 . 1 1 31 31 ASP HA H 31 4.693 4.693 4.715 -0.022 25086 239 1 . 1 1 31 31 ASP C C 31 175.904 175.904 175.660 0.244 25086 240 1 . 1 1 31 31 ASP CA C 31 55.292 55.292 54.094 1.198 25086 241 1 . 1 1 31 31 ASP CB C 31 41.176 41.176 42.259 -1.083 25086 242 1 . 1 1 31 31 ASP H H 31 8.056 8.056 7.848 0.208 25086 243 1 . 1 1 32 32 GLU N N 32 120.895 120.895 123.749 -2.854 25086 244 1 . 1 1 32 32 GLU HA H 32 4.696 4.696 4.428 0.268 25086 245 1 . 1 1 32 32 GLU C C 32 176.717 176.717 174.993 1.724 25086 246 1 . 1 1 32 32 GLU CA C 32 56.409 56.409 56.039 0.369 25086 247 1 . 1 1 32 32 GLU CB C 32 31.304 31.304 30.817 0.487 25086 248 1 . 1 1 32 32 GLU H H 32 8.683 8.683 8.581 0.102 25086 249 1 . 1 1 33 33 VAL N N 33 114.605 114.605 118.649 -4.044 25086 250 1 . 1 1 33 33 VAL HA H 33 5.006 5.006 4.467 0.539 25086 251 1 . 1 1 33 33 VAL C C 33 173.447 173.447 174.660 -1.213 25086 252 1 . 1 1 33 33 VAL CA C 33 58.428 58.428 59.460 -1.032 25086 253 1 . 1 1 33 33 VAL CB C 33 35.764 35.764 35.067 0.697 25086 254 1 . 1 1 33 33 VAL H H 33 8.423 8.423 8.145 0.278 25086 255 1 . 1 1 34 34 LYS N N 34 122.276 122.276 124.026 -1.750 25086 256 1 . 1 1 34 34 LYS HA H 34 4.767 4.767 4.583 0.184 25086 257 1 . 1 1 34 34 LYS C C 34 175.062 175.062 175.428 -0.366 25086 258 1 . 1 1 34 34 LYS CA C 34 54.652 54.652 55.328 -0.676 25086 259 1 . 1 1 34 34 LYS CB C 34 34.857 34.857 33.797 1.060 25086 260 1 . 1 1 34 34 LYS H H 34 8.989 8.989 8.468 0.521 25086 261 1 . 1 1 35 35 ILE N N 35 124.021 124.021 126.864 -2.843 25086 262 1 . 1 1 35 35 ILE HA H 35 5.054 5.054 4.665 0.389 25086 263 1 . 1 1 35 35 ILE C C 35 174.111 174.111 175.460 -1.349 25086 264 1 . 1 1 35 35 ILE CA C 35 60.238 60.238 60.047 0.191 25086 265 1 . 1 1 35 35 ILE CB C 35 39.989 39.989 37.925 2.064 25086 266 1 . 1 1 35 35 ILE H H 35 8.717 8.717 8.643 0.074 25086 267 1 . 1 1 36 36 ASP N N 36 126.126 126.126 128.654 -2.528 25086 268 1 . 1 1 36 36 ASP HA H 36 5.054 5.054 4.909 0.145 25086 269 1 . 1 1 36 36 ASP C C 36 173.496 173.496 174.369 -0.873 25086 270 1 . 1 1 36 36 ASP CA C 36 52.243 52.243 53.090 -0.847 25086 271 1 . 1 1 36 36 ASP CB C 36 45.280 45.280 43.983 1.297 25086 272 1 . 1 1 36 36 ASP H H 36 8.948 8.948 8.661 0.287 25086 273 1 . 1 1 37 37 LEU N N 37 123.664 123.664 125.223 -1.559 25086 274 1 . 1 1 37 37 LEU HA H 37 5.201 5.201 5.061 0.140 25086 275 1 . 1 1 37 37 LEU C C 37 175.865 175.865 175.792 0.073 25086 276 1 . 1 1 37 37 LEU CA C 37 54.061 54.061 53.981 0.080 25086 277 1 . 1 1 37 37 LEU CB C 37 44.306 44.306 42.762 1.544 25086 278 1 . 1 1 37 37 LEU H H 37 8.629 8.629 8.576 0.053 25086 279 1 . 1 1 38 38 VAL N N 38 126.795 126.795 126.595 0.200 25086 280 1 . 1 1 38 38 VAL HA H 38 4.189 4.189 4.322 -0.133 25086 281 1 . 1 1 38 38 VAL C C 38 175.379 175.379 175.153 0.226 25086 282 1 . 1 1 38 38 VAL CA C 38 61.480 61.480 61.610 -0.130 25086 283 1 . 1 1 38 38 VAL CB C 38 35.102 35.102 34.696 0.406 25086 284 1 . 1 1 38 38 VAL H H 38 8.772 8.772 8.734 0.038 25086 285 1 . 1 1 39 39 ASP N N 39 127.355 127.355 127.561 -0.206 25086 286 1 . 1 1 39 39 ASP HA H 39 4.221 4.221 4.304 -0.083 25086 287 1 . 1 1 39 39 ASP C C 39 175.944 175.944 176.652 -0.708 25086 288 1 . 1 1 39 39 ASP CA C 39 55.224 55.224 55.122 0.102 25086 289 1 . 1 1 39 39 ASP CB C 39 40.006 40.006 40.302 -0.296 25086 290 1 . 1 1 39 39 ASP H H 39 9.154 9.154 9.165 -0.011 25086 291 1 . 1 1 40 40 GLY N N 40 103.124 103.124 102.940 0.184 25086 292 1 . 1 1 40 40 GLY C C 40 172.842 172.842 173.742 -0.900 25086 293 1 . 1 1 40 40 GLY CA C 40 46.062 46.062 45.144 0.918 25086 294 1 . 1 1 40 40 GLY H H 40 8.425 8.425 8.394 0.031 25086 295 1 . 1 1 41 41 LYS N N 41 117.155 117.155 119.912 -2.757 25086 296 1 . 1 1 41 41 LYS HA H 41 4.745 4.745 4.635 0.110 25086 297 1 . 1 1 41 41 LYS C C 41 174.385 174.385 174.953 -0.568 25086 298 1 . 1 1 41 41 LYS CA C 41 54.490 54.490 54.225 0.265 25086 299 1 . 1 1 41 41 LYS CB C 41 35.244 35.244 34.834 0.410 25086 300 1 . 1 1 41 41 LYS H H 41 7.676 7.676 7.900 -0.224 25086 301 1 . 1 1 42 42 LEU N N 42 119.938 119.938 123.743 -3.805 25086 302 1 . 1 1 42 42 LEU HA H 42 5.066 5.066 4.558 0.508 25086 303 1 . 1 1 42 42 LEU C C 42 174.895 174.895 176.580 -1.685 25086 304 1 . 1 1 42 42 LEU CA C 42 53.560 53.560 54.367 -0.807 25086 305 1 . 1 1 42 42 LEU CB C 42 43.448 43.448 42.508 0.940 25086 306 1 . 1 1 42 42 LEU H H 42 8.585 8.585 8.567 0.019 25086 307 1 . 1 1 43 43 ILE N N 43 123.764 123.764 126.003 -2.239 25086 308 1 . 1 1 43 43 ILE HA H 43 4.925 4.925 4.311 0.613 25086 309 1 . 1 1 43 43 ILE C C 43 175.893 175.893 174.587 1.306 25086 310 1 . 1 1 43 43 ILE CA C 43 59.287 59.287 59.510 -0.223 25086 311 1 . 1 1 43 43 ILE CB C 43 39.178 39.178 38.463 0.715 25086 312 1 . 1 1 43 43 ILE H H 43 9.075 9.075 8.850 0.225 25086 313 1 . 1 1 44 44 ILE N N 44 126.815 126.815 128.350 -1.535 25086 314 1 . 1 1 44 44 ILE HA H 44 4.956 4.956 4.714 0.242 25086 315 1 . 1 1 44 44 ILE C C 44 174.230 174.230 175.807 -1.577 25086 316 1 . 1 1 44 44 ILE CA C 44 60.218 60.218 59.360 0.857 25086 317 1 . 1 1 44 44 ILE CB C 44 39.161 39.161 38.412 0.749 25086 318 1 . 1 1 44 44 ILE H H 44 9.411 9.411 8.509 0.902 25086 319 1 . 1 1 45 45 GLU N N 45 126.742 126.742 129.407 -2.665 25086 320 1 . 1 1 45 45 GLU HA H 45 5.174 5.174 4.911 0.264 25086 321 1 . 1 1 45 45 GLU CA C 45 51.951 51.951 52.597 -0.646 25086 322 1 . 1 1 45 45 GLU CB C 45 33.866 33.866 32.556 1.310 25086 323 1 . 1 1 45 45 GLU H H 45 8.929 8.929 8.596 0.333 25086 324 1 . 1 1 46 46 PRO HA H 46 4.552 4.552 4.549 0.003 25086 325 1 . 1 1 46 46 PRO C C 46 175.856 175.856 176.102 -0.246 25086 326 1 . 1 1 46 46 PRO CA C 46 63.215 63.215 62.408 0.807 25086 327 1 . 1 1 46 46 PRO CB C 46 32.438 32.438 32.640 -0.202 25086 328 1 . 1 1 47 47 VAL N N 47 123.846 123.846 121.442 2.404 25086 329 1 . 1 1 47 47 VAL HA H 47 4.017 4.017 4.221 -0.204 25086 330 1 . 1 1 47 47 VAL C C 47 175.776 175.776 175.205 0.571 25086 331 1 . 1 1 47 47 VAL CA C 47 62.656 62.656 61.159 1.497 25086 332 1 . 1 1 47 47 VAL CB C 47 32.271 32.271 32.337 -0.066 25086 333 1 . 1 1 47 47 VAL H H 47 7.893 7.893 8.123 -0.230 25086 334 1 . 1 1 48 48 ARG N N 48 126.674 126.674 127.787 -1.113 25086 335 1 . 1 1 48 48 ARG HA H 48 4.406 4.406 4.371 0.035 25086 336 1 . 1 1 48 48 ARG C C 48 175.887 175.887 175.956 -0.069 25086 337 1 . 1 1 48 48 ARG CA C 48 55.520 55.520 56.039 -0.519 25086 338 1 . 1 1 48 48 ARG CB C 48 30.801 30.801 30.829 -0.028 25086 339 1 . 1 1 48 48 ARG H H 48 8.646 8.646 8.369 0.277 25086 340 1 . 1 1 49 49 LYS N N 49 124.176 124.176 124.334 -0.158 25086 341 1 . 1 1 49 49 LYS HA H 49 4.359 4.359 4.436 -0.077 25086 342 1 . 1 1 49 49 LYS C C 49 175.579 175.579 175.896 -0.317 25086 343 1 . 1 1 49 49 LYS CA C 49 56.170 56.170 55.928 0.242 25086 344 1 . 1 1 49 49 LYS CB C 49 33.218 33.218 31.885 1.333 25086 345 1 . 1 1 49 49 LYS H H 49 8.563 8.563 8.468 0.095 25086 stop_ save_