data_18171 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18171 _Entry.PDB_ID 2LNM 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 18171 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 115.081 115.081 121.172 -6.091 18171 2 1 1 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.999 -0.139 18171 3 1 1 . 1 1 2 2 GLU C C 2 179.259 179.259 178.287 0.972 18171 4 1 1 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.203 1.157 18171 5 1 1 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.354 -0.628 18171 6 1 1 . 1 1 2 2 GLU H H 2 8.756 8.756 8.936 -0.180 18171 7 1 1 . 1 1 3 3 GLU N N 3 120.051 120.051 120.044 0.007 18171 8 1 1 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.020 -0.004 18171 9 1 1 . 1 1 3 3 GLU C C 3 178.863 178.863 178.937 -0.074 18171 10 1 1 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.455 -0.449 18171 11 1 1 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.422 0.943 18171 12 1 1 . 1 1 3 3 GLU H H 3 7.722 7.722 8.315 -0.593 18171 13 1 1 . 1 1 4 4 VAL N N 4 120.223 120.223 119.132 1.091 18171 14 1 1 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.627 -0.118 18171 15 1 1 . 1 1 4 4 VAL C C 4 177.687 177.687 177.647 0.040 18171 16 1 1 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.259 1.408 18171 17 1 1 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.771 -0.230 18171 18 1 1 . 1 1 4 4 VAL H H 4 7.815 7.815 7.534 0.281 18171 19 1 1 . 1 1 5 5 ILE N N 5 118.475 118.475 119.147 -0.672 18171 20 1 1 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.537 -0.037 18171 21 1 1 . 1 1 5 5 ILE C C 5 177.638 177.638 177.822 -0.184 18171 22 1 1 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.111 -0.749 18171 23 1 1 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.444 -0.307 18171 24 1 1 . 1 1 5 5 ILE H H 5 8.293 8.293 7.973 0.320 18171 25 1 1 . 1 1 6 6 SER N N 6 113.327 113.327 114.729 -1.402 18171 26 1 1 . 1 1 6 6 SER HA H 6 4.034 4.034 4.182 -0.148 18171 27 1 1 . 1 1 6 6 SER C C 6 176.398 176.398 176.034 0.364 18171 28 1 1 . 1 1 6 6 SER CA C 6 61.781 61.781 61.179 0.602 18171 29 1 1 . 1 1 6 6 SER CB C 6 62.770 62.770 63.010 -0.240 18171 30 1 1 . 1 1 6 6 SER H H 6 7.740 7.740 7.811 -0.072 18171 31 1 1 . 1 1 7 7 LYS N N 7 119.755 119.755 121.870 -2.115 18171 32 1 1 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.101 0.042 18171 33 1 1 . 1 1 7 7 LYS C C 7 179.622 179.622 178.515 1.107 18171 34 1 1 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.588 -0.582 18171 35 1 1 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.581 0.161 18171 36 1 1 . 1 1 7 7 LYS H H 7 7.523 7.523 7.689 -0.166 18171 37 1 1 . 1 1 8 8 ILE N N 8 119.544 119.544 120.344 -0.800 18171 38 1 1 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.660 -0.017 18171 39 1 1 . 1 1 8 8 ILE C C 8 177.510 177.510 176.893 0.617 18171 40 1 1 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.181 1.999 18171 41 1 1 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.382 1.079 18171 42 1 1 . 1 1 8 8 ILE H H 8 8.132 8.132 7.537 0.595 18171 43 1 1 . 1 1 9 9 MET N N 9 114.616 114.616 117.518 -2.902 18171 44 1 1 . 1 1 9 9 MET HA H 9 4.104 4.104 4.164 -0.060 18171 45 1 1 . 1 1 9 9 MET C C 9 177.018 177.018 177.570 -0.552 18171 46 1 1 . 1 1 9 9 MET CA C 9 56.601 56.601 56.894 -0.293 18171 47 1 1 . 1 1 9 9 MET CB C 9 31.479 31.479 30.833 0.646 18171 48 1 1 . 1 1 9 9 MET H H 9 7.835 7.835 7.663 0.172 18171 49 1 1 . 1 1 10 10 GLU N N 10 116.206 116.206 119.866 -3.660 18171 50 1 1 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.125 0.027 18171 51 1 1 . 1 1 10 10 GLU C C 10 176.263 176.263 177.024 -0.761 18171 52 1 1 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.826 -0.743 18171 53 1 1 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.907 0.103 18171 54 1 1 . 1 1 10 10 GLU H H 10 7.318 7.318 8.026 -0.708 18171 55 1 1 . 1 1 11 11 ASN N N 11 119.007 119.007 119.245 -0.238 18171 56 1 1 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.170 -0.029 18171 57 1 1 . 1 1 11 11 ASN C C 11 173.093 173.093 173.440 -0.347 18171 58 1 1 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.187 0.522 18171 59 1 1 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.800 1.300 18171 60 1 1 . 1 1 11 11 ASN H H 11 7.707 7.707 7.783 -0.076 18171 61 1 1 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.096 0.187 18171 62 1 1 . 1 1 12 12 PRO C C 12 177.932 177.932 177.624 0.308 18171 63 1 1 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.365 -0.137 18171 64 1 1 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.944 0.064 18171 65 1 1 . 1 1 13 13 ASP N N 13 116.410 116.410 116.765 -0.355 18171 66 1 1 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.456 -0.031 18171 67 1 1 . 1 1 13 13 ASP C C 13 178.456 178.456 178.314 0.142 18171 68 1 1 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.019 -0.210 18171 69 1 1 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.653 -0.714 18171 70 1 1 . 1 1 13 13 ASP H H 13 8.218 8.218 8.439 -0.221 18171 71 1 1 . 1 1 14 14 VAL N N 14 120.053 120.053 120.250 -0.197 18171 72 1 1 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.691 0.091 18171 73 1 1 . 1 1 14 14 VAL C C 14 177.045 177.045 177.784 -0.739 18171 74 1 1 . 1 1 14 14 VAL CA C 14 64.350 64.350 66.096 -1.746 18171 75 1 1 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.633 0.128 18171 76 1 1 . 1 1 14 14 VAL H H 14 7.722 7.722 8.175 -0.453 18171 77 1 1 . 1 1 15 15 ALA N N 15 121.814 121.814 122.288 -0.474 18171 78 1 1 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.770 0.152 18171 79 1 1 . 1 1 15 15 ALA C C 15 180.315 180.315 179.044 1.271 18171 80 1 1 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.129 0.525 18171 81 1 1 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.179 -0.002 18171 82 1 1 . 1 1 15 15 ALA H H 15 8.245 8.245 7.630 0.615 18171 83 1 1 . 1 1 16 16 MET N N 16 114.438 114.438 117.712 -3.274 18171 84 1 1 . 1 1 16 16 MET HA H 16 4.234 4.234 4.531 -0.297 18171 85 1 1 . 1 1 16 16 MET C C 16 178.930 178.930 178.819 0.111 18171 86 1 1 . 1 1 16 16 MET CA C 16 58.011 58.011 58.454 -0.443 18171 87 1 1 . 1 1 16 16 MET CB C 16 32.027 32.027 33.098 -1.071 18171 88 1 1 . 1 1 16 16 MET H H 16 7.878 7.878 7.709 0.169 18171 89 1 1 . 1 1 17 17 ALA N N 17 123.280 123.280 123.649 -0.369 18171 90 1 1 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.173 0.005 18171 91 1 1 . 1 1 17 17 ALA C C 17 179.091 179.091 179.509 -0.418 18171 92 1 1 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.950 -0.387 18171 93 1 1 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.152 0.239 18171 94 1 1 . 1 1 17 17 ALA H H 17 7.647 7.647 8.102 -0.455 18171 95 1 1 . 1 1 18 18 PHE N N 18 114.808 114.808 116.318 -1.510 18171 96 1 1 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.270 -0.152 18171 97 1 1 . 1 1 18 18 PHE C C 18 175.169 175.169 176.606 -1.437 18171 98 1 1 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.413 -0.979 18171 99 1 1 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.737 0.306 18171 100 1 1 . 1 1 18 18 PHE H H 18 8.032 8.032 8.638 -0.606 18171 101 1 1 . 1 1 19 19 GLN N N 19 114.221 114.221 116.974 -2.753 18171 102 1 1 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.342 -0.275 18171 103 1 1 . 1 1 19 19 GLN C C 19 175.843 175.843 175.518 0.325 18171 104 1 1 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.658 0.488 18171 105 1 1 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.678 -0.058 18171 106 1 1 . 1 1 19 19 GLN H H 19 7.414 7.414 7.606 -0.192 18171 107 1 1 . 1 1 20 20 ASN N N 20 119.994 119.994 119.218 0.776 18171 108 1 1 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.199 -0.316 18171 109 1 1 . 1 1 20 20 ASN C C 20 174.726 174.726 173.947 0.779 18171 110 1 1 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.300 0.301 18171 111 1 1 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.558 -1.301 18171 112 1 1 . 1 1 20 20 ASN H H 20 7.497 7.497 7.935 -0.438 18171 113 1 1 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.368 -0.179 18171 114 1 1 . 1 1 21 21 PRO C C 21 178.747 178.747 178.189 0.558 18171 115 1 1 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.755 -0.709 18171 116 1 1 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.093 0.028 18171 117 1 1 . 1 1 22 22 ARG N N 22 117.899 117.899 118.111 -0.212 18171 118 1 1 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.099 -0.006 18171 119 1 1 . 1 1 22 22 ARG C C 22 178.827 178.827 178.521 0.306 18171 120 1 1 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.551 0.435 18171 121 1 1 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.820 1.611 18171 122 1 1 . 1 1 22 22 ARG H H 22 8.066 8.066 8.716 -0.650 18171 123 1 1 . 1 1 23 23 VAL N N 23 119.694 119.694 120.448 -0.754 18171 124 1 1 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.529 -0.145 18171 125 1 1 . 1 1 23 23 VAL C C 23 177.319 177.319 177.832 -0.513 18171 126 1 1 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.438 -0.690 18171 127 1 1 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.482 0.039 18171 128 1 1 . 1 1 23 23 VAL H H 23 7.199 7.199 7.740 -0.541 18171 129 1 1 . 1 1 24 24 GLN N N 24 117.842 117.842 119.120 -1.278 18171 130 1 1 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.797 -0.164 18171 131 1 1 . 1 1 24 24 GLN C C 24 177.902 177.902 178.419 -0.517 18171 132 1 1 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.149 0.520 18171 133 1 1 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.463 -0.443 18171 134 1 1 . 1 1 24 24 GLN H H 24 7.790 7.790 8.040 -0.250 18171 135 1 1 . 1 1 25 25 ALA N N 25 119.267 119.267 121.381 -2.114 18171 136 1 1 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.023 0.023 18171 137 1 1 . 1 1 25 25 ALA C C 25 179.854 179.854 178.919 0.935 18171 138 1 1 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.793 0.253 18171 139 1 1 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.280 -0.456 18171 140 1 1 . 1 1 25 25 ALA H H 25 7.808 7.808 8.412 -0.604 18171 141 1 1 . 1 1 26 26 ALA N N 26 120.738 120.738 121.938 -1.200 18171 142 1 1 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.367 0.554 18171 143 1 1 . 1 1 26 26 ALA C C 26 179.988 179.988 179.707 0.281 18171 144 1 1 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.376 0.823 18171 145 1 1 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.623 0.548 18171 146 1 1 . 1 1 26 26 ALA H H 26 7.500 7.500 7.425 0.075 18171 147 1 1 . 1 1 27 27 LEU N N 27 118.511 118.511 118.964 -0.453 18171 148 1 1 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.083 -0.170 18171 149 1 1 . 1 1 27 27 LEU C C 27 179.923 179.923 179.293 0.630 18171 150 1 1 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.753 0.306 18171 151 1 1 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.855 -0.927 18171 152 1 1 . 1 1 27 27 LEU H H 27 8.324 8.324 8.459 -0.135 18171 153 1 1 . 1 1 28 28 MET N N 28 118.681 118.681 117.112 1.569 18171 154 1 1 . 1 1 28 28 MET HA H 28 4.144 4.144 4.109 0.035 18171 155 1 1 . 1 1 28 28 MET C C 28 179.635 179.635 179.308 0.327 18171 156 1 1 . 1 1 28 28 MET CA C 28 58.734 58.734 57.709 1.025 18171 157 1 1 . 1 1 28 28 MET CB C 28 31.901 31.901 31.714 0.187 18171 158 1 1 . 1 1 28 28 MET H H 28 8.127 8.127 8.327 -0.200 18171 159 1 1 . 1 1 29 29 GLU N N 29 119.813 119.813 120.593 -0.780 18171 160 1 1 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.231 -0.005 18171 161 1 1 . 1 1 29 29 GLU C C 29 180.544 180.544 179.003 1.541 18171 162 1 1 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.935 0.761 18171 163 1 1 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.280 0.397 18171 164 1 1 . 1 1 29 29 GLU H H 29 8.302 8.302 8.339 -0.037 18171 165 1 1 . 1 1 30 30 CYS N N 30 118.465 118.465 117.954 0.511 18171 166 1 1 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.199 0.254 18171 167 1 1 . 1 1 30 30 CYS C C 30 175.357 175.357 175.590 -0.233 18171 168 1 1 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.951 0.531 18171 169 1 1 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.440 -0.650 18171 170 1 1 . 1 1 30 30 CYS H H 30 8.465 8.465 8.156 0.309 18171 171 1 1 . 1 1 31 31 SER N N 31 114.366 114.366 115.090 -0.724 18171 172 1 1 . 1 1 31 31 SER HA H 31 4.174 4.174 4.151 0.023 18171 173 1 1 . 1 1 31 31 SER C C 31 175.371 175.371 176.450 -1.079 18171 174 1 1 . 1 1 31 31 SER CA C 31 60.932 60.932 61.056 -0.124 18171 175 1 1 . 1 1 31 31 SER CB C 31 62.749 62.749 62.866 -0.117 18171 176 1 1 . 1 1 31 31 SER H H 31 7.859 7.859 7.549 0.310 18171 177 1 1 . 1 1 32 32 GLU N N 32 119.996 119.996 121.613 -1.617 18171 178 1 1 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.192 0.012 18171 179 1 1 . 1 1 32 32 GLU C C 32 176.983 176.983 176.687 0.296 18171 180 1 1 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.493 -0.521 18171 181 1 1 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.277 -0.200 18171 182 1 1 . 1 1 32 32 GLU H H 32 7.254 7.254 8.440 -1.186 18171 183 1 1 . 1 1 33 33 ASN N N 33 113.026 113.026 111.358 1.668 18171 184 1 1 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.894 0.079 18171 185 1 1 . 1 1 33 33 ASN C C 33 173.504 173.504 173.054 0.450 18171 186 1 1 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.950 -1.214 18171 187 1 1 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.801 2.684 18171 188 1 1 . 1 1 33 33 ASN H H 33 7.370 7.370 7.688 -0.318 18171 189 1 1 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.300 0.274 18171 190 1 1 . 1 1 34 34 PRO C C 34 178.270 178.270 177.206 1.064 18171 191 1 1 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.064 -0.237 18171 192 1 1 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.761 -0.007 18171 193 1 1 . 1 1 35 35 MET N N 35 115.258 115.258 114.977 0.281 18171 194 1 1 . 1 1 35 35 MET HA H 35 4.330 4.330 4.425 -0.095 18171 195 1 1 . 1 1 35 35 MET C C 35 178.569 178.569 177.771 0.798 18171 196 1 1 . 1 1 35 35 MET CA C 35 57.050 57.050 56.479 0.571 18171 197 1 1 . 1 1 35 35 MET CB C 35 31.300 31.300 31.032 0.268 18171 198 1 1 . 1 1 35 35 MET H H 35 7.962 7.962 8.001 -0.039 18171 199 1 1 . 1 1 36 36 ASN N N 36 117.357 117.357 119.956 -2.599 18171 200 1 1 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.528 0.045 18171 201 1 1 . 1 1 36 36 ASN C C 36 176.470 176.470 177.453 -0.983 18171 202 1 1 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.216 -1.090 18171 203 1 1 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.361 0.081 18171 204 1 1 . 1 1 36 36 ASN H H 36 8.462 8.462 8.813 -0.351 18171 205 1 1 . 1 1 37 37 ILE N N 37 121.622 121.622 122.412 -0.790 18171 206 1 1 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.809 0.301 18171 207 1 1 . 1 1 37 37 ILE C C 37 177.331 177.331 176.562 0.769 18171 208 1 1 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.278 -0.690 18171 209 1 1 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.071 -0.056 18171 210 1 1 . 1 1 37 37 ILE H H 37 7.820 7.820 7.543 0.277 18171 211 1 1 . 1 1 38 38 MET N N 38 118.071 118.071 117.169 0.902 18171 212 1 1 . 1 1 38 38 MET HA H 38 4.174 4.174 4.121 0.053 18171 213 1 1 . 1 1 38 38 MET C C 38 178.456 178.456 177.175 1.281 18171 214 1 1 . 1 1 38 38 MET CA C 38 57.563 57.563 57.914 -0.351 18171 215 1 1 . 1 1 38 38 MET CB C 38 31.533 31.533 32.207 -0.674 18171 216 1 1 . 1 1 38 38 MET H H 38 7.479 7.479 7.601 -0.122 18171 217 1 1 . 1 1 39 39 LYS N N 39 117.427 117.427 118.600 -1.173 18171 218 1 1 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.169 -0.222 18171 219 1 1 . 1 1 39 39 LYS C C 39 177.456 177.456 178.459 -1.003 18171 220 1 1 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.105 -0.093 18171 221 1 1 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.260 -1.487 18171 222 1 1 . 1 1 39 39 LYS H H 39 7.580 7.580 8.093 -0.513 18171 223 1 1 . 1 1 40 40 TYR N N 40 116.049 116.049 118.970 -2.921 18171 224 1 1 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.282 0.248 18171 225 1 1 . 1 1 40 40 TYR C C 40 175.635 175.635 177.930 -2.295 18171 226 1 1 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.331 -0.933 18171 227 1 1 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.003 2.487 18171 228 1 1 . 1 1 40 40 TYR H H 40 7.651 7.651 7.554 0.097 18171 229 1 1 . 1 1 41 41 GLN N N 41 116.626 116.626 119.758 -3.132 18171 230 1 1 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.980 0.353 18171 231 1 1 . 1 1 41 41 GLN C C 41 175.887 175.887 176.869 -0.982 18171 232 1 1 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.395 0.191 18171 233 1 1 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.592 1.455 18171 234 1 1 . 1 1 41 41 GLN H H 41 7.001 7.001 7.777 -0.776 18171 235 1 1 . 1 1 42 42 ASN N N 42 114.491 114.491 115.695 -1.204 18171 236 1 1 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.719 0.143 18171 237 1 1 . 1 1 42 42 ASN C C 42 173.784 173.784 175.293 -1.509 18171 238 1 1 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.534 -2.002 18171 239 1 1 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.990 -0.402 18171 240 1 1 . 1 1 42 42 ASN H H 42 8.281 8.281 7.653 0.628 18171 241 1 1 . 1 1 43 43 ASP N N 43 122.981 122.981 122.166 0.815 18171 242 1 1 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.720 0.035 18171 243 1 1 . 1 1 43 43 ASP C C 43 174.773 174.773 176.118 -1.345 18171 244 1 1 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.367 -0.760 18171 245 1 1 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.723 0.646 18171 246 1 1 . 1 1 43 43 ASP H H 43 7.960 7.960 8.019 -0.059 18171 247 1 1 . 1 1 44 44 LYS N N 44 125.893 125.893 126.527 -0.634 18171 248 1 1 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.866 -0.006 18171 249 1 1 . 1 1 44 44 LYS C C 44 177.796 177.796 178.080 -0.284 18171 250 1 1 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.302 0.494 18171 251 1 1 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.554 -0.018 18171 252 1 1 . 1 1 44 44 LYS H H 44 8.361 8.361 8.092 0.269 18171 253 1 1 . 1 1 45 45 GLU N N 45 116.698 116.698 118.471 -1.773 18171 254 1 1 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.138 -0.071 18171 255 1 1 . 1 1 45 45 GLU C C 45 178.724 178.724 178.915 -0.191 18171 256 1 1 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.474 -0.019 18171 257 1 1 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.435 0.322 18171 258 1 1 . 1 1 45 45 GLU H H 45 8.127 8.127 7.815 0.312 18171 259 1 1 . 1 1 46 46 VAL N N 46 117.476 117.476 120.094 -2.618 18171 260 1 1 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.682 -0.268 18171 261 1 1 . 1 1 46 46 VAL C C 46 177.879 177.879 178.400 -0.521 18171 262 1 1 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.027 0.403 18171 263 1 1 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.287 0.741 18171 264 1 1 . 1 1 46 46 VAL H H 46 7.452 7.452 7.732 -0.280 18171 265 1 1 . 1 1 47 47 MET N N 47 117.027 117.027 119.816 -2.789 18171 266 1 1 . 1 1 47 47 MET HA H 47 4.479 4.479 4.164 0.315 18171 267 1 1 . 1 1 47 47 MET C C 47 179.307 179.307 178.376 0.931 18171 268 1 1 . 1 1 47 47 MET CA C 47 56.809 56.809 57.986 -1.177 18171 269 1 1 . 1 1 47 47 MET CB C 47 30.371 30.371 31.030 -0.659 18171 270 1 1 . 1 1 47 47 MET H H 47 8.542 8.542 7.944 0.598 18171 271 1 1 . 1 1 48 48 ASP N N 48 119.811 119.811 119.706 0.105 18171 272 1 1 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.420 0.072 18171 273 1 1 . 1 1 48 48 ASP C C 48 179.136 179.136 179.373 -0.237 18171 274 1 1 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.464 0.107 18171 275 1 1 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.777 -0.324 18171 276 1 1 . 1 1 48 48 ASP H H 48 8.580 8.580 7.893 0.687 18171 277 1 1 . 1 1 49 49 VAL N N 49 118.816 118.816 119.558 -0.742 18171 278 1 1 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.782 -0.144 18171 279 1 1 . 1 1 49 49 VAL C C 49 177.777 177.777 177.978 -0.201 18171 280 1 1 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.185 0.272 18171 281 1 1 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.622 -0.556 18171 282 1 1 . 1 1 49 49 VAL H H 49 7.319 7.319 7.532 -0.212 18171 283 1 1 . 1 1 50 50 PHE N N 50 120.305 120.305 119.999 0.306 18171 284 1 1 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.217 -0.081 18171 285 1 1 . 1 1 50 50 PHE C C 50 178.505 178.505 178.231 0.274 18171 286 1 1 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.119 -0.579 18171 287 1 1 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.425 -0.117 18171 288 1 1 . 1 1 50 50 PHE H H 50 8.529 8.529 9.296 -0.767 18171 289 1 1 . 1 1 51 51 ASN N N 51 117.888 117.888 117.063 0.825 18171 290 1 1 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.526 -0.111 18171 291 1 1 . 1 1 51 51 ASN C C 51 177.863 177.863 177.137 0.726 18171 292 1 1 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.625 0.543 18171 293 1 1 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.231 0.078 18171 294 1 1 . 1 1 51 51 ASN H H 51 8.886 8.886 8.830 0.056 18171 295 1 1 . 1 1 52 52 LYS N N 52 120.120 120.120 121.959 -1.839 18171 296 1 1 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.071 0.039 18171 297 1 1 . 1 1 52 52 LYS C C 52 179.002 179.002 178.310 0.692 18171 298 1 1 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.063 -0.089 18171 299 1 1 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.376 -0.321 18171 300 1 1 . 1 1 52 52 LYS H H 52 7.760 7.760 7.139 0.621 18171 301 1 1 . 1 1 53 53 ILE N N 53 117.988 117.988 120.210 -2.222 18171 302 1 1 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.481 0.276 18171 303 1 1 . 1 1 53 53 ILE C C 53 177.686 177.686 177.567 0.119 18171 304 1 1 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.921 0.120 18171 305 1 1 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.736 -0.069 18171 306 1 1 . 1 1 53 53 ILE H H 53 8.400 8.400 8.617 -0.217 18171 307 1 1 . 1 1 54 54 SER N N 54 114.267 114.267 113.974 0.293 18171 308 1 1 . 1 1 54 54 SER HA H 54 4.050 4.050 4.329 -0.279 18171 309 1 1 . 1 1 54 54 SER C C 54 175.690 175.690 176.244 -0.554 18171 310 1 1 . 1 1 54 54 SER CA C 54 61.417 61.417 61.137 0.280 18171 311 1 1 . 1 1 54 54 SER CB C 54 62.922 62.922 62.992 -0.070 18171 312 1 1 . 1 1 54 54 SER H H 54 8.042 8.042 7.616 0.426 18171 313 1 1 . 1 1 55 55 GLN N N 55 118.045 118.045 119.999 -1.954 18171 314 1 1 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.062 0.078 18171 315 1 1 . 1 1 55 55 GLN C C 55 177.193 177.193 177.869 -0.676 18171 316 1 1 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.062 -0.980 18171 317 1 1 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.921 -0.201 18171 318 1 1 . 1 1 55 55 GLN H H 55 7.415 7.415 7.541 -0.126 18171 319 1 1 . 1 1 56 56 LEU N N 56 118.492 118.492 117.286 1.206 18171 320 1 1 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.110 -0.077 18171 321 1 1 . 1 1 56 56 LEU C C 56 176.578 176.578 176.688 -0.110 18171 322 1 1 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.150 -0.245 18171 323 1 1 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.602 -0.053 18171 324 1 1 . 1 1 56 56 LEU H H 56 7.732 7.732 7.753 -0.021 18171 325 1 1 . 1 1 57 57 PHE N N 57 116.774 116.774 115.936 0.838 18171 326 1 1 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.915 -0.023 18171 327 1 1 . 1 1 57 57 PHE C C 57 173.125 173.125 173.832 -0.707 18171 328 1 1 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.798 1.413 18171 329 1 1 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.522 1.501 18171 330 1 1 . 1 1 57 57 PHE H H 57 7.629 7.629 7.294 0.335 18171 331 1 1 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.366 0.114 18171 332 1 1 . 1 1 58 58 PRO C C 58 178.090 178.090 178.532 -0.442 18171 333 1 1 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.500 -0.528 18171 334 1 1 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.891 -0.964 18171 335 1 1 . 1 1 59 59 GLY N N 59 108.335 108.335 105.416 2.919 18171 336 1 1 . 1 1 59 59 GLY C C 59 174.930 174.930 174.267 0.663 18171 337 1 1 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.231 1.153 18171 338 1 1 . 1 1 59 59 GLY H H 59 8.411 8.411 8.388 0.023 18171 339 1 1 . 1 1 60 60 MET N N 60 119.206 119.206 118.689 0.517 18171 340 1 1 . 1 1 60 60 MET HA H 60 4.467 4.467 4.203 0.264 18171 341 1 1 . 1 1 60 60 MET C C 60 176.320 176.320 176.752 -0.432 18171 342 1 1 . 1 1 60 60 MET CA C 60 56.395 56.395 55.745 0.650 18171 343 1 1 . 1 1 60 60 MET CB C 60 32.964 32.964 32.129 0.835 18171 344 1 1 . 1 1 60 60 MET H H 60 8.053 8.053 7.287 0.766 18171 345 1 1 . 1 1 61 61 THR N N 61 111.041 111.041 117.852 -6.811 18171 346 1 1 . 1 1 61 61 THR HA H 61 4.402 4.402 4.174 0.228 18171 347 1 1 . 1 1 61 61 THR C C 61 173.976 173.976 175.680 -1.704 18171 348 1 1 . 1 1 61 61 THR CA C 61 61.233 61.233 62.453 -1.220 18171 349 1 1 . 1 1 61 61 THR CB C 61 70.120 70.120 68.930 1.190 18171 350 1 1 . 1 1 61 61 THR H H 61 7.880 7.880 8.215 -0.335 18171 351 1 2 . 1 1 2 2 GLU N N 2 115.081 115.081 121.531 -6.450 18171 352 1 2 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.963 -0.103 18171 353 1 2 . 1 1 2 2 GLU C C 2 179.259 179.259 178.036 1.223 18171 354 1 2 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.166 1.194 18171 355 1 2 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.273 -0.547 18171 356 1 2 . 1 1 2 2 GLU H H 2 8.756 8.756 8.930 -0.174 18171 357 1 2 . 1 1 3 3 GLU N N 3 120.051 120.051 118.839 1.212 18171 358 1 2 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.021 -0.005 18171 359 1 2 . 1 1 3 3 GLU C C 3 178.863 178.863 178.715 0.148 18171 360 1 2 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.401 -0.395 18171 361 1 2 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.445 0.920 18171 362 1 2 . 1 1 3 3 GLU H H 3 7.722 7.722 8.505 -0.783 18171 363 1 2 . 1 1 4 4 VAL N N 4 120.223 120.223 118.420 1.803 18171 364 1 2 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.688 -0.179 18171 365 1 2 . 1 1 4 4 VAL C C 4 177.687 177.687 178.022 -0.335 18171 366 1 2 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.487 1.180 18171 367 1 2 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.417 0.124 18171 368 1 2 . 1 1 4 4 VAL H H 4 7.815 7.815 7.567 0.248 18171 369 1 2 . 1 1 5 5 ILE N N 5 118.475 118.475 120.720 -2.245 18171 370 1 2 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.565 -0.065 18171 371 1 2 . 1 1 5 5 ILE C C 5 177.638 177.638 178.088 -0.450 18171 372 1 2 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.416 -0.055 18171 373 1 2 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.052 1.084 18171 374 1 2 . 1 1 5 5 ILE H H 5 8.293 8.293 8.199 0.094 18171 375 1 2 . 1 1 6 6 SER N N 6 113.327 113.327 114.693 -1.366 18171 376 1 2 . 1 1 6 6 SER HA H 6 4.034 4.034 4.208 -0.174 18171 377 1 2 . 1 1 6 6 SER C C 6 176.398 176.398 175.246 1.152 18171 378 1 2 . 1 1 6 6 SER CA C 6 61.781 61.781 60.775 1.006 18171 379 1 2 . 1 1 6 6 SER CB C 6 62.770 62.770 62.847 -0.077 18171 380 1 2 . 1 1 6 6 SER H H 6 7.740 7.740 7.750 -0.010 18171 381 1 2 . 1 1 7 7 LYS N N 7 119.755 119.755 120.363 -0.608 18171 382 1 2 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.098 0.045 18171 383 1 2 . 1 1 7 7 LYS C C 7 179.622 179.622 178.675 0.947 18171 384 1 2 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.018 -0.012 18171 385 1 2 . 1 1 7 7 LYS CB C 7 31.742 31.742 32.041 -0.299 18171 386 1 2 . 1 1 7 7 LYS H H 7 7.523 7.523 7.740 -0.217 18171 387 1 2 . 1 1 8 8 ILE N N 8 119.544 119.544 121.404 -1.860 18171 388 1 2 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.716 -0.073 18171 389 1 2 . 1 1 8 8 ILE C C 8 177.510 177.510 177.379 0.131 18171 390 1 2 . 1 1 8 8 ILE CA C 8 65.180 65.180 64.069 1.111 18171 391 1 2 . 1 1 8 8 ILE CB C 8 37.461 37.461 37.842 -0.381 18171 392 1 2 . 1 1 8 8 ILE H H 8 8.132 8.132 7.364 0.768 18171 393 1 2 . 1 1 9 9 MET N N 9 114.616 114.616 118.053 -3.437 18171 394 1 2 . 1 1 9 9 MET HA H 9 4.104 4.104 4.099 0.005 18171 395 1 2 . 1 1 9 9 MET C C 9 177.018 177.018 176.866 0.152 18171 396 1 2 . 1 1 9 9 MET CA C 9 56.601 56.601 57.877 -1.276 18171 397 1 2 . 1 1 9 9 MET CB C 9 31.479 31.479 31.915 -0.436 18171 398 1 2 . 1 1 9 9 MET H H 9 7.835 7.835 7.640 0.195 18171 399 1 2 . 1 1 10 10 GLU N N 10 116.206 116.206 119.493 -3.287 18171 400 1 2 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.109 0.043 18171 401 1 2 . 1 1 10 10 GLU C C 10 176.263 176.263 177.206 -0.943 18171 402 1 2 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.854 -0.771 18171 403 1 2 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.765 0.245 18171 404 1 2 . 1 1 10 10 GLU H H 10 7.318 7.318 7.674 -0.356 18171 405 1 2 . 1 1 11 11 ASN N N 11 119.007 119.007 119.344 -0.337 18171 406 1 2 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.164 -0.023 18171 407 1 2 . 1 1 11 11 ASN C C 11 173.093 173.093 173.441 -0.348 18171 408 1 2 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.021 0.688 18171 409 1 2 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.902 1.198 18171 410 1 2 . 1 1 11 11 ASN H H 11 7.707 7.707 7.729 -0.022 18171 411 1 2 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.089 0.194 18171 412 1 2 . 1 1 12 12 PRO C C 12 177.932 177.932 177.656 0.276 18171 413 1 2 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.183 0.045 18171 414 1 2 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.742 0.266 18171 415 1 2 . 1 1 13 13 ASP N N 13 116.410 116.410 117.088 -0.678 18171 416 1 2 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.500 -0.075 18171 417 1 2 . 1 1 13 13 ASP C C 13 178.456 178.456 178.540 -0.084 18171 418 1 2 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.216 -0.407 18171 419 1 2 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.688 -0.749 18171 420 1 2 . 1 1 13 13 ASP H H 13 8.218 8.218 8.454 -0.236 18171 421 1 2 . 1 1 14 14 VAL N N 14 120.053 120.053 120.938 -0.885 18171 422 1 2 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.850 -0.068 18171 423 1 2 . 1 1 14 14 VAL C C 14 177.045 177.045 177.636 -0.591 18171 424 1 2 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.814 -1.464 18171 425 1 2 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.537 0.224 18171 426 1 2 . 1 1 14 14 VAL H H 14 7.722 7.722 8.107 -0.385 18171 427 1 2 . 1 1 15 15 ALA N N 15 121.814 121.814 122.786 -0.972 18171 428 1 2 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.803 0.119 18171 429 1 2 . 1 1 15 15 ALA C C 15 180.315 180.315 179.361 0.954 18171 430 1 2 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.271 0.383 18171 431 1 2 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.228 -0.051 18171 432 1 2 . 1 1 15 15 ALA H H 15 8.245 8.245 7.624 0.621 18171 433 1 2 . 1 1 16 16 MET N N 16 114.438 114.438 115.840 -1.402 18171 434 1 2 . 1 1 16 16 MET HA H 16 4.234 4.234 4.382 -0.148 18171 435 1 2 . 1 1 16 16 MET C C 16 178.930 178.930 178.933 -0.003 18171 436 1 2 . 1 1 16 16 MET CA C 16 58.011 58.011 56.977 1.034 18171 437 1 2 . 1 1 16 16 MET CB C 16 32.027 32.027 32.269 -0.242 18171 438 1 2 . 1 1 16 16 MET H H 16 7.878 7.878 7.777 0.101 18171 439 1 2 . 1 1 17 17 ALA N N 17 123.280 123.280 123.832 -0.552 18171 440 1 2 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.207 -0.029 18171 441 1 2 . 1 1 17 17 ALA C C 17 179.091 179.091 179.772 -0.681 18171 442 1 2 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.991 -0.428 18171 443 1 2 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.081 0.310 18171 444 1 2 . 1 1 17 17 ALA H H 17 7.647 7.647 8.001 -0.354 18171 445 1 2 . 1 1 18 18 PHE N N 18 114.808 114.808 116.358 -1.550 18171 446 1 2 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.254 -0.136 18171 447 1 2 . 1 1 18 18 PHE C C 18 175.169 175.169 176.323 -1.154 18171 448 1 2 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.616 -1.182 18171 449 1 2 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.731 0.312 18171 450 1 2 . 1 1 18 18 PHE H H 18 8.032 8.032 8.735 -0.703 18171 451 1 2 . 1 1 19 19 GLN N N 19 114.221 114.221 116.737 -2.516 18171 452 1 2 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.344 -0.277 18171 453 1 2 . 1 1 19 19 GLN C C 19 175.843 175.843 175.607 0.236 18171 454 1 2 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.506 0.641 18171 455 1 2 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.760 -0.140 18171 456 1 2 . 1 1 19 19 GLN H H 19 7.414 7.414 7.549 -0.135 18171 457 1 2 . 1 1 20 20 ASN N N 20 119.994 119.994 119.364 0.630 18171 458 1 2 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.191 -0.308 18171 459 1 2 . 1 1 20 20 ASN C C 20 174.726 174.726 173.984 0.742 18171 460 1 2 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.298 0.303 18171 461 1 2 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.631 -1.374 18171 462 1 2 . 1 1 20 20 ASN H H 20 7.497 7.497 7.972 -0.475 18171 463 1 2 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.340 -0.151 18171 464 1 2 . 1 1 21 21 PRO C C 21 178.747 178.747 178.559 0.188 18171 465 1 2 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.616 -0.570 18171 466 1 2 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.128 -0.007 18171 467 1 2 . 1 1 22 22 ARG N N 22 117.899 117.899 118.423 -0.524 18171 468 1 2 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.937 0.156 18171 469 1 2 . 1 1 22 22 ARG C C 22 178.827 178.827 178.496 0.331 18171 470 1 2 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.437 -0.451 18171 471 1 2 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.598 0.833 18171 472 1 2 . 1 1 22 22 ARG H H 22 8.066 8.066 8.428 -0.362 18171 473 1 2 . 1 1 23 23 VAL N N 23 119.694 119.694 119.203 0.491 18171 474 1 2 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.555 -0.172 18171 475 1 2 . 1 1 23 23 VAL C C 23 177.319 177.319 177.458 -0.139 18171 476 1 2 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.015 -0.267 18171 477 1 2 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.363 0.158 18171 478 1 2 . 1 1 23 23 VAL H H 23 7.199 7.199 7.519 -0.320 18171 479 1 2 . 1 1 24 24 GLN N N 24 117.842 117.842 119.571 -1.729 18171 480 1 2 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.704 -0.071 18171 481 1 2 . 1 1 24 24 GLN C C 24 177.902 177.902 178.123 -0.221 18171 482 1 2 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.228 0.441 18171 483 1 2 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.574 -0.554 18171 484 1 2 . 1 1 24 24 GLN H H 24 7.790 7.790 8.372 -0.582 18171 485 1 2 . 1 1 25 25 ALA N N 25 119.267 119.267 120.644 -1.377 18171 486 1 2 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.036 0.010 18171 487 1 2 . 1 1 25 25 ALA C C 25 179.854 179.854 178.807 1.047 18171 488 1 2 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.624 0.422 18171 489 1 2 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.254 -0.430 18171 490 1 2 . 1 1 25 25 ALA H H 25 7.808 7.808 8.366 -0.558 18171 491 1 2 . 1 1 26 26 ALA N N 26 120.738 120.738 122.316 -1.578 18171 492 1 2 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.512 0.409 18171 493 1 2 . 1 1 26 26 ALA C C 26 179.988 179.988 179.524 0.464 18171 494 1 2 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.324 0.875 18171 495 1 2 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.995 0.175 18171 496 1 2 . 1 1 26 26 ALA H H 26 7.500 7.500 7.275 0.225 18171 497 1 2 . 1 1 27 27 LEU N N 27 118.511 118.511 119.078 -0.567 18171 498 1 2 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.142 -0.229 18171 499 1 2 . 1 1 27 27 LEU C C 27 179.923 179.923 179.006 0.917 18171 500 1 2 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.749 0.310 18171 501 1 2 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.932 -1.004 18171 502 1 2 . 1 1 27 27 LEU H H 27 8.324 8.324 8.310 0.014 18171 503 1 2 . 1 1 28 28 MET N N 28 118.681 118.681 118.517 0.164 18171 504 1 2 . 1 1 28 28 MET HA H 28 4.144 4.144 4.125 0.019 18171 505 1 2 . 1 1 28 28 MET C C 28 179.635 179.635 178.379 1.256 18171 506 1 2 . 1 1 28 28 MET CA C 28 58.734 58.734 57.802 0.932 18171 507 1 2 . 1 1 28 28 MET CB C 28 31.901 31.901 32.486 -0.585 18171 508 1 2 . 1 1 28 28 MET H H 28 8.127 8.127 8.242 -0.115 18171 509 1 2 . 1 1 29 29 GLU N N 29 119.813 119.813 118.889 0.924 18171 510 1 2 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.194 0.032 18171 511 1 2 . 1 1 29 29 GLU C C 29 180.544 180.544 178.799 1.745 18171 512 1 2 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.909 0.787 18171 513 1 2 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.986 -0.309 18171 514 1 2 . 1 1 29 29 GLU H H 29 8.302 8.302 8.280 0.022 18171 515 1 2 . 1 1 30 30 CYS N N 30 118.465 118.465 118.021 0.444 18171 516 1 2 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.543 -0.090 18171 517 1 2 . 1 1 30 30 CYS C C 30 175.357 175.357 176.266 -0.909 18171 518 1 2 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.236 1.246 18171 519 1 2 . 1 1 30 30 CYS CB C 30 26.790 26.790 28.179 -1.389 18171 520 1 2 . 1 1 30 30 CYS H H 30 8.465 8.465 7.982 0.483 18171 521 1 2 . 1 1 31 31 SER N N 31 114.366 114.366 115.546 -1.180 18171 522 1 2 . 1 1 31 31 SER HA H 31 4.174 4.174 4.192 -0.018 18171 523 1 2 . 1 1 31 31 SER C C 31 175.371 175.371 175.954 -0.583 18171 524 1 2 . 1 1 31 31 SER CA C 31 60.932 60.932 61.136 -0.205 18171 525 1 2 . 1 1 31 31 SER CB C 31 62.749 62.749 62.890 -0.141 18171 526 1 2 . 1 1 31 31 SER H H 31 7.859 7.859 7.833 0.026 18171 527 1 2 . 1 1 32 32 GLU N N 32 119.996 119.996 120.204 -0.208 18171 528 1 2 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.210 -0.006 18171 529 1 2 . 1 1 32 32 GLU C C 32 176.983 176.983 176.674 0.309 18171 530 1 2 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.329 -0.357 18171 531 1 2 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.541 -0.464 18171 532 1 2 . 1 1 32 32 GLU H H 32 7.254 7.254 7.970 -0.716 18171 533 1 2 . 1 1 33 33 ASN N N 33 113.026 113.026 112.538 0.488 18171 534 1 2 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.912 0.061 18171 535 1 2 . 1 1 33 33 ASN C C 33 173.504 173.504 173.243 0.261 18171 536 1 2 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.645 -1.909 18171 537 1 2 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.679 0.806 18171 538 1 2 . 1 1 33 33 ASN H H 33 7.370 7.370 7.569 -0.199 18171 539 1 2 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.387 0.187 18171 540 1 2 . 1 1 34 34 PRO C C 34 178.270 178.270 177.255 1.015 18171 541 1 2 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.811 0.016 18171 542 1 2 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.997 -0.243 18171 543 1 2 . 1 1 35 35 MET N N 35 115.258 115.258 114.175 1.083 18171 544 1 2 . 1 1 35 35 MET HA H 35 4.330 4.330 4.250 0.080 18171 545 1 2 . 1 1 35 35 MET C C 35 178.569 178.569 177.360 1.209 18171 546 1 2 . 1 1 35 35 MET CA C 35 57.050 57.050 56.380 0.670 18171 547 1 2 . 1 1 35 35 MET CB C 35 31.300 31.300 30.875 0.425 18171 548 1 2 . 1 1 35 35 MET H H 35 7.962 7.962 8.044 -0.082 18171 549 1 2 . 1 1 36 36 ASN N N 36 117.357 117.357 118.834 -1.477 18171 550 1 2 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.569 0.004 18171 551 1 2 . 1 1 36 36 ASN C C 36 176.470 176.470 177.517 -1.047 18171 552 1 2 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.954 -0.828 18171 553 1 2 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.629 0.813 18171 554 1 2 . 1 1 36 36 ASN H H 36 8.462 8.462 8.351 0.111 18171 555 1 2 . 1 1 37 37 ILE N N 37 121.622 121.622 122.432 -0.810 18171 556 1 2 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.825 0.285 18171 557 1 2 . 1 1 37 37 ILE C C 37 177.331 177.331 177.299 0.032 18171 558 1 2 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.215 -0.627 18171 559 1 2 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.923 0.092 18171 560 1 2 . 1 1 37 37 ILE H H 37 7.820 7.820 7.553 0.267 18171 561 1 2 . 1 1 38 38 MET N N 38 118.071 118.071 116.099 1.972 18171 562 1 2 . 1 1 38 38 MET HA H 38 4.174 4.174 4.160 0.014 18171 563 1 2 . 1 1 38 38 MET C C 38 178.456 178.456 177.326 1.130 18171 564 1 2 . 1 1 38 38 MET CA C 38 57.563 57.563 57.044 0.519 18171 565 1 2 . 1 1 38 38 MET CB C 38 31.533 31.533 31.469 0.064 18171 566 1 2 . 1 1 38 38 MET H H 38 7.479 7.479 7.591 -0.112 18171 567 1 2 . 1 1 39 39 LYS N N 39 117.427 117.427 118.366 -0.939 18171 568 1 2 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.129 -0.182 18171 569 1 2 . 1 1 39 39 LYS C C 39 177.456 177.456 178.547 -1.091 18171 570 1 2 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.832 0.180 18171 571 1 2 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.480 -1.706 18171 572 1 2 . 1 1 39 39 LYS H H 39 7.580 7.580 7.715 -0.135 18171 573 1 2 . 1 1 40 40 TYR N N 40 116.049 116.049 118.766 -2.717 18171 574 1 2 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.663 -0.133 18171 575 1 2 . 1 1 40 40 TYR C C 40 175.635 175.635 178.324 -2.689 18171 576 1 2 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.609 -0.211 18171 577 1 2 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.713 2.777 18171 578 1 2 . 1 1 40 40 TYR H H 40 7.651 7.651 7.669 -0.018 18171 579 1 2 . 1 1 41 41 GLN N N 41 116.626 116.626 119.895 -3.269 18171 580 1 2 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.971 0.362 18171 581 1 2 . 1 1 41 41 GLN C C 41 175.887 175.887 176.190 -0.303 18171 582 1 2 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.599 -0.013 18171 583 1 2 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.856 1.191 18171 584 1 2 . 1 1 41 41 GLN H H 41 7.001 7.001 7.773 -0.772 18171 585 1 2 . 1 1 42 42 ASN N N 42 114.491 114.491 113.959 0.532 18171 586 1 2 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.642 0.220 18171 587 1 2 . 1 1 42 42 ASN C C 42 173.784 173.784 175.234 -1.450 18171 588 1 2 . 1 1 42 42 ASN CA C 42 52.532 52.532 52.858 -0.326 18171 589 1 2 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.935 -0.347 18171 590 1 2 . 1 1 42 42 ASN H H 42 8.281 8.281 7.585 0.697 18171 591 1 2 . 1 1 43 43 ASP N N 43 122.981 122.981 122.523 0.458 18171 592 1 2 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.738 0.017 18171 593 1 2 . 1 1 43 43 ASP C C 43 174.773 174.773 176.034 -1.261 18171 594 1 2 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.127 -0.520 18171 595 1 2 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.937 0.432 18171 596 1 2 . 1 1 43 43 ASP H H 43 7.960 7.960 8.205 -0.245 18171 597 1 2 . 1 1 44 44 LYS N N 44 125.893 125.893 127.632 -1.739 18171 598 1 2 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.897 -0.037 18171 599 1 2 . 1 1 44 44 LYS C C 44 177.796 177.796 178.176 -0.380 18171 600 1 2 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.410 0.387 18171 601 1 2 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.543 -0.007 18171 602 1 2 . 1 1 44 44 LYS H H 44 8.361 8.361 8.006 0.355 18171 603 1 2 . 1 1 45 45 GLU N N 45 116.698 116.698 118.247 -1.549 18171 604 1 2 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.121 -0.054 18171 605 1 2 . 1 1 45 45 GLU C C 45 178.724 178.724 178.805 -0.081 18171 606 1 2 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.449 0.006 18171 607 1 2 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.307 0.450 18171 608 1 2 . 1 1 45 45 GLU H H 45 8.127 8.127 7.938 0.189 18171 609 1 2 . 1 1 46 46 VAL N N 46 117.476 117.476 119.720 -2.244 18171 610 1 2 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.689 -0.275 18171 611 1 2 . 1 1 46 46 VAL C C 46 177.879 177.879 178.010 -0.131 18171 612 1 2 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.222 0.208 18171 613 1 2 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.511 0.517 18171 614 1 2 . 1 1 46 46 VAL H H 46 7.452 7.452 7.535 -0.083 18171 615 1 2 . 1 1 47 47 MET N N 47 117.027 117.027 120.062 -3.035 18171 616 1 2 . 1 1 47 47 MET HA H 47 4.479 4.479 4.033 0.446 18171 617 1 2 . 1 1 47 47 MET C C 47 179.307 179.307 178.577 0.730 18171 618 1 2 . 1 1 47 47 MET CA C 47 56.809 56.809 59.989 -3.180 18171 619 1 2 . 1 1 47 47 MET CB C 47 30.371 30.371 32.109 -1.738 18171 620 1 2 . 1 1 47 47 MET H H 47 8.542 8.542 8.238 0.304 18171 621 1 2 . 1 1 48 48 ASP N N 48 119.811 119.811 120.279 -0.468 18171 622 1 2 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.472 0.020 18171 623 1 2 . 1 1 48 48 ASP C C 48 179.136 179.136 179.065 0.071 18171 624 1 2 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.853 -0.282 18171 625 1 2 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.448 0.005 18171 626 1 2 . 1 1 48 48 ASP H H 48 8.580 8.580 8.087 0.493 18171 627 1 2 . 1 1 49 49 VAL N N 49 118.816 118.816 120.637 -1.821 18171 628 1 2 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.709 -0.071 18171 629 1 2 . 1 1 49 49 VAL C C 49 177.777 177.777 177.724 0.053 18171 630 1 2 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.771 -0.314 18171 631 1 2 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.184 -1.118 18171 632 1 2 . 1 1 49 49 VAL H H 49 7.319 7.319 7.592 -0.273 18171 633 1 2 . 1 1 50 50 PHE N N 50 120.305 120.305 119.101 1.204 18171 634 1 2 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.229 -0.093 18171 635 1 2 . 1 1 50 50 PHE C C 50 178.505 178.505 178.054 0.451 18171 636 1 2 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.984 -0.444 18171 637 1 2 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.608 -0.299 18171 638 1 2 . 1 1 50 50 PHE H H 50 8.529 8.529 9.201 -0.672 18171 639 1 2 . 1 1 51 51 ASN N N 51 117.888 117.888 117.430 0.458 18171 640 1 2 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.571 -0.156 18171 641 1 2 . 1 1 51 51 ASN C C 51 177.863 177.863 177.105 0.758 18171 642 1 2 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.763 0.405 18171 643 1 2 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.555 -0.246 18171 644 1 2 . 1 1 51 51 ASN H H 51 8.886 8.886 8.549 0.337 18171 645 1 2 . 1 1 52 52 LYS N N 52 120.120 120.120 120.707 -0.587 18171 646 1 2 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.043 0.067 18171 647 1 2 . 1 1 52 52 LYS C C 52 179.002 179.002 178.428 0.574 18171 648 1 2 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.153 -0.179 18171 649 1 2 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.373 -0.318 18171 650 1 2 . 1 1 52 52 LYS H H 52 7.760 7.760 7.185 0.575 18171 651 1 2 . 1 1 53 53 ILE N N 53 117.988 117.988 119.434 -1.446 18171 652 1 2 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.607 0.150 18171 653 1 2 . 1 1 53 53 ILE C C 53 177.686 177.686 177.522 0.164 18171 654 1 2 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.798 0.243 18171 655 1 2 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.871 -0.204 18171 656 1 2 . 1 1 53 53 ILE H H 53 8.400 8.400 8.589 -0.189 18171 657 1 2 . 1 1 54 54 SER N N 54 114.267 114.267 113.165 1.102 18171 658 1 2 . 1 1 54 54 SER HA H 54 4.050 4.050 4.234 -0.184 18171 659 1 2 . 1 1 54 54 SER C C 54 175.690 175.690 175.836 -0.146 18171 660 1 2 . 1 1 54 54 SER CA C 54 61.417 61.417 60.202 1.215 18171 661 1 2 . 1 1 54 54 SER CB C 54 62.922 62.922 63.052 -0.130 18171 662 1 2 . 1 1 54 54 SER H H 54 8.042 8.042 7.582 0.460 18171 663 1 2 . 1 1 55 55 GLN N N 55 118.045 118.045 118.797 -0.752 18171 664 1 2 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.138 0.002 18171 665 1 2 . 1 1 55 55 GLN C C 55 177.193 177.193 177.238 -0.045 18171 666 1 2 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.786 -0.704 18171 667 1 2 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.986 -0.266 18171 668 1 2 . 1 1 55 55 GLN H H 55 7.415 7.415 7.360 0.055 18171 669 1 2 . 1 1 56 56 LEU N N 56 118.492 118.492 116.689 1.803 18171 670 1 2 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.175 -0.142 18171 671 1 2 . 1 1 56 56 LEU C C 56 176.578 176.578 176.833 -0.255 18171 672 1 2 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.828 0.077 18171 673 1 2 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.737 -0.188 18171 674 1 2 . 1 1 56 56 LEU H H 56 7.732 7.732 7.403 0.329 18171 675 1 2 . 1 1 57 57 PHE N N 57 116.774 116.774 115.785 0.989 18171 676 1 2 . 1 1 57 57 PHE HA H 57 4.892 4.892 5.003 -0.111 18171 677 1 2 . 1 1 57 57 PHE C C 57 173.125 173.125 174.727 -1.602 18171 678 1 2 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.777 1.434 18171 679 1 2 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.837 1.186 18171 680 1 2 . 1 1 57 57 PHE H H 57 7.629 7.629 7.435 0.194 18171 681 1 2 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.410 0.070 18171 682 1 2 . 1 1 58 58 PRO C C 58 178.090 178.090 176.929 1.161 18171 683 1 2 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.777 0.195 18171 684 1 2 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.906 -0.979 18171 685 1 2 . 1 1 59 59 GLY N N 59 108.335 108.335 106.288 2.047 18171 686 1 2 . 1 1 59 59 GLY C C 59 174.930 174.930 173.085 1.845 18171 687 1 2 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.651 -0.267 18171 688 1 2 . 1 1 59 59 GLY H H 59 8.411 8.411 7.669 0.742 18171 689 1 2 . 1 1 60 60 MET N N 60 119.206 119.206 123.290 -4.084 18171 690 1 2 . 1 1 60 60 MET HA H 60 4.467 4.467 4.522 -0.055 18171 691 1 2 . 1 1 60 60 MET C C 60 176.320 176.320 176.050 0.270 18171 692 1 2 . 1 1 60 60 MET CA C 60 56.395 56.395 56.848 -0.453 18171 693 1 2 . 1 1 60 60 MET CB C 60 32.964 32.964 32.615 0.349 18171 694 1 2 . 1 1 60 60 MET H H 60 8.053 8.053 8.105 -0.052 18171 695 1 2 . 1 1 61 61 THR N N 61 111.041 111.041 116.625 -5.584 18171 696 1 2 . 1 1 61 61 THR HA H 61 4.402 4.402 4.140 0.262 18171 697 1 2 . 1 1 61 61 THR C C 61 173.976 173.976 175.698 -1.722 18171 698 1 2 . 1 1 61 61 THR CA C 61 61.233 61.233 63.407 -2.174 18171 699 1 2 . 1 1 61 61 THR CB C 61 70.120 70.120 68.834 1.286 18171 700 1 2 . 1 1 61 61 THR H H 61 7.880 7.880 8.006 -0.126 18171 701 1 3 . 1 1 2 2 GLU N N 2 115.081 115.081 121.521 -6.440 18171 702 1 3 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.063 -0.203 18171 703 1 3 . 1 1 2 2 GLU C C 2 179.259 179.259 178.525 0.734 18171 704 1 3 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.104 1.256 18171 705 1 3 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.054 -0.328 18171 706 1 3 . 1 1 2 2 GLU H H 2 8.756 8.756 8.961 -0.205 18171 707 1 3 . 1 1 3 3 GLU N N 3 120.051 120.051 118.762 1.289 18171 708 1 3 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.023 -0.007 18171 709 1 3 . 1 1 3 3 GLU C C 3 178.863 178.863 178.755 0.108 18171 710 1 3 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.477 -0.471 18171 711 1 3 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.375 0.990 18171 712 1 3 . 1 1 3 3 GLU H H 3 7.722 7.722 8.492 -0.770 18171 713 1 3 . 1 1 4 4 VAL N N 4 120.223 120.223 119.671 0.552 18171 714 1 3 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.705 -0.196 18171 715 1 3 . 1 1 4 4 VAL C C 4 177.687 177.687 178.166 -0.479 18171 716 1 3 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.669 0.998 18171 717 1 3 . 1 1 4 4 VAL CB C 4 31.541 31.541 32.014 -0.473 18171 718 1 3 . 1 1 4 4 VAL H H 4 7.815 7.815 7.402 0.413 18171 719 1 3 . 1 1 5 5 ILE N N 5 118.475 118.475 119.550 -1.075 18171 720 1 3 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.536 -0.036 18171 721 1 3 . 1 1 5 5 ILE C C 5 177.638 177.638 177.877 -0.239 18171 722 1 3 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.029 -0.668 18171 723 1 3 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.341 -0.205 18171 724 1 3 . 1 1 5 5 ILE H H 5 8.293 8.293 8.023 0.270 18171 725 1 3 . 1 1 6 6 SER N N 6 113.327 113.327 114.621 -1.294 18171 726 1 3 . 1 1 6 6 SER HA H 6 4.034 4.034 4.160 -0.126 18171 727 1 3 . 1 1 6 6 SER C C 6 176.398 176.398 176.119 0.279 18171 728 1 3 . 1 1 6 6 SER CA C 6 61.781 61.781 61.712 0.069 18171 729 1 3 . 1 1 6 6 SER CB C 6 62.770 62.770 63.083 -0.313 18171 730 1 3 . 1 1 6 6 SER H H 6 7.740 7.740 7.764 -0.024 18171 731 1 3 . 1 1 7 7 LYS N N 7 119.755 119.755 122.716 -2.961 18171 732 1 3 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.089 0.054 18171 733 1 3 . 1 1 7 7 LYS C C 7 179.622 179.622 178.277 1.345 18171 734 1 3 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.580 -0.574 18171 735 1 3 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.737 0.005 18171 736 1 3 . 1 1 7 7 LYS H H 7 7.523 7.523 7.930 -0.407 18171 737 1 3 . 1 1 8 8 ILE N N 8 119.544 119.544 120.249 -0.705 18171 738 1 3 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.652 -0.009 18171 739 1 3 . 1 1 8 8 ILE C C 8 177.510 177.510 177.184 0.326 18171 740 1 3 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.952 2.228 18171 741 1 3 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.108 1.353 18171 742 1 3 . 1 1 8 8 ILE H H 8 8.132 8.132 7.870 0.262 18171 743 1 3 . 1 1 9 9 MET N N 9 114.616 114.616 117.914 -3.298 18171 744 1 3 . 1 1 9 9 MET HA H 9 4.104 4.104 4.144 -0.040 18171 745 1 3 . 1 1 9 9 MET C C 9 177.018 177.018 176.947 0.071 18171 746 1 3 . 1 1 9 9 MET CA C 9 56.601 56.601 57.852 -1.251 18171 747 1 3 . 1 1 9 9 MET CB C 9 31.479 31.479 31.749 -0.270 18171 748 1 3 . 1 1 9 9 MET H H 9 7.835 7.835 7.575 0.260 18171 749 1 3 . 1 1 10 10 GLU N N 10 116.206 116.206 118.930 -2.724 18171 750 1 3 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.112 0.040 18171 751 1 3 . 1 1 10 10 GLU C C 10 176.263 176.263 176.935 -0.672 18171 752 1 3 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.027 0.056 18171 753 1 3 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.765 0.245 18171 754 1 3 . 1 1 10 10 GLU H H 10 7.318 7.318 7.902 -0.584 18171 755 1 3 . 1 1 11 11 ASN N N 11 119.007 119.007 117.699 1.308 18171 756 1 3 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.044 0.097 18171 757 1 3 . 1 1 11 11 ASN C C 11 173.093 173.093 173.064 0.029 18171 758 1 3 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.243 -0.534 18171 759 1 3 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.216 0.884 18171 760 1 3 . 1 1 11 11 ASN H H 11 7.707 7.707 7.787 -0.080 18171 761 1 3 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.028 0.255 18171 762 1 3 . 1 1 12 12 PRO C C 12 177.932 177.932 177.260 0.672 18171 763 1 3 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.481 -0.253 18171 764 1 3 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.642 0.366 18171 765 1 3 . 1 1 13 13 ASP N N 13 116.410 116.410 117.960 -1.550 18171 766 1 3 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.417 0.008 18171 767 1 3 . 1 1 13 13 ASP C C 13 178.456 178.456 177.900 0.556 18171 768 1 3 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.196 -0.387 18171 769 1 3 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.476 -0.537 18171 770 1 3 . 1 1 13 13 ASP H H 13 8.218 8.218 8.213 0.005 18171 771 1 3 . 1 1 14 14 VAL N N 14 120.053 120.053 120.658 -0.605 18171 772 1 3 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.801 -0.019 18171 773 1 3 . 1 1 14 14 VAL C C 14 177.045 177.045 177.571 -0.526 18171 774 1 3 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.683 -1.333 18171 775 1 3 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.365 0.396 18171 776 1 3 . 1 1 14 14 VAL H H 14 7.722 7.722 8.107 -0.385 18171 777 1 3 . 1 1 15 15 ALA N N 15 121.814 121.814 122.338 -0.524 18171 778 1 3 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.778 0.144 18171 779 1 3 . 1 1 15 15 ALA C C 15 180.315 180.315 179.175 1.140 18171 780 1 3 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.095 0.559 18171 781 1 3 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.163 0.014 18171 782 1 3 . 1 1 15 15 ALA H H 15 8.245 8.245 7.428 0.817 18171 783 1 3 . 1 1 16 16 MET N N 16 114.438 114.438 117.175 -2.737 18171 784 1 3 . 1 1 16 16 MET HA H 16 4.234 4.234 4.295 -0.061 18171 785 1 3 . 1 1 16 16 MET C C 16 178.930 178.930 178.606 0.324 18171 786 1 3 . 1 1 16 16 MET CA C 16 58.011 58.011 58.161 -0.150 18171 787 1 3 . 1 1 16 16 MET CB C 16 32.027 32.027 32.934 -0.907 18171 788 1 3 . 1 1 16 16 MET H H 16 7.878 7.878 7.725 0.153 18171 789 1 3 . 1 1 17 17 ALA N N 17 123.280 123.280 123.435 -0.155 18171 790 1 3 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.155 0.023 18171 791 1 3 . 1 1 17 17 ALA C C 17 179.091 179.091 179.435 -0.344 18171 792 1 3 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.929 -0.366 18171 793 1 3 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.169 0.222 18171 794 1 3 . 1 1 17 17 ALA H H 17 7.647 7.647 8.152 -0.505 18171 795 1 3 . 1 1 18 18 PHE N N 18 114.808 114.808 116.059 -1.251 18171 796 1 3 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.303 -0.185 18171 797 1 3 . 1 1 18 18 PHE C C 18 175.169 175.169 176.641 -1.472 18171 798 1 3 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.164 -0.730 18171 799 1 3 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.642 0.401 18171 800 1 3 . 1 1 18 18 PHE H H 18 8.032 8.032 8.698 -0.666 18171 801 1 3 . 1 1 19 19 GLN N N 19 114.221 114.221 116.558 -2.337 18171 802 1 3 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.358 -0.291 18171 803 1 3 . 1 1 19 19 GLN C C 19 175.843 175.843 175.661 0.182 18171 804 1 3 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.321 0.826 18171 805 1 3 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.593 0.027 18171 806 1 3 . 1 1 19 19 GLN H H 19 7.414 7.414 7.575 -0.161 18171 807 1 3 . 1 1 20 20 ASN N N 20 119.994 119.994 119.785 0.209 18171 808 1 3 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.224 -0.341 18171 809 1 3 . 1 1 20 20 ASN C C 20 174.726 174.726 174.271 0.455 18171 810 1 3 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.400 0.201 18171 811 1 3 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.515 -0.258 18171 812 1 3 . 1 1 20 20 ASN H H 20 7.497 7.497 7.834 -0.337 18171 813 1 3 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.368 -0.179 18171 814 1 3 . 1 1 21 21 PRO C C 21 178.747 178.747 178.606 0.141 18171 815 1 3 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.673 -0.627 18171 816 1 3 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.311 -0.190 18171 817 1 3 . 1 1 22 22 ARG N N 22 117.899 117.899 118.279 -0.380 18171 818 1 3 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.046 0.047 18171 819 1 3 . 1 1 22 22 ARG C C 22 178.827 178.827 178.551 0.276 18171 820 1 3 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.572 -0.586 18171 821 1 3 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.624 0.807 18171 822 1 3 . 1 1 22 22 ARG H H 22 8.066 8.066 8.429 -0.363 18171 823 1 3 . 1 1 23 23 VAL N N 23 119.694 119.694 119.218 0.476 18171 824 1 3 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.661 -0.277 18171 825 1 3 . 1 1 23 23 VAL C C 23 177.319 177.319 177.604 -0.285 18171 826 1 3 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.127 -0.379 18171 827 1 3 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.338 0.183 18171 828 1 3 . 1 1 23 23 VAL H H 23 7.199 7.199 7.566 -0.367 18171 829 1 3 . 1 1 24 24 GLN N N 24 117.842 117.842 119.676 -1.834 18171 830 1 3 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.708 -0.075 18171 831 1 3 . 1 1 24 24 GLN C C 24 177.902 177.902 178.144 -0.242 18171 832 1 3 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.185 0.484 18171 833 1 3 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.590 -0.570 18171 834 1 3 . 1 1 24 24 GLN H H 24 7.790 7.790 8.211 -0.421 18171 835 1 3 . 1 1 25 25 ALA N N 25 119.267 119.267 121.090 -1.823 18171 836 1 3 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.102 -0.056 18171 837 1 3 . 1 1 25 25 ALA C C 25 179.854 179.854 179.079 0.775 18171 838 1 3 . 1 1 25 25 ALA CA C 25 55.046 55.046 55.002 0.044 18171 839 1 3 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.975 -0.151 18171 840 1 3 . 1 1 25 25 ALA H H 25 7.808 7.808 8.480 -0.672 18171 841 1 3 . 1 1 26 26 ALA N N 26 120.738 120.738 121.981 -1.243 18171 842 1 3 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.421 0.500 18171 843 1 3 . 1 1 26 26 ALA C C 26 179.988 179.988 179.751 0.237 18171 844 1 3 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.339 0.860 18171 845 1 3 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.686 0.485 18171 846 1 3 . 1 1 26 26 ALA H H 26 7.500 7.500 7.061 0.439 18171 847 1 3 . 1 1 27 27 LEU N N 27 118.511 118.511 119.245 -0.734 18171 848 1 3 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.011 -0.098 18171 849 1 3 . 1 1 27 27 LEU C C 27 179.923 179.923 179.023 0.900 18171 850 1 3 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.841 0.218 18171 851 1 3 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.790 -0.862 18171 852 1 3 . 1 1 27 27 LEU H H 27 8.324 8.324 8.368 -0.044 18171 853 1 3 . 1 1 28 28 MET N N 28 118.681 118.681 118.280 0.401 18171 854 1 3 . 1 1 28 28 MET HA H 28 4.144 4.144 3.954 0.190 18171 855 1 3 . 1 1 28 28 MET C C 28 179.635 179.635 178.048 1.587 18171 856 1 3 . 1 1 28 28 MET CA C 28 58.734 58.734 59.093 -0.359 18171 857 1 3 . 1 1 28 28 MET CB C 28 31.901 31.901 32.648 -0.747 18171 858 1 3 . 1 1 28 28 MET H H 28 8.127 8.127 8.389 -0.262 18171 859 1 3 . 1 1 29 29 GLU N N 29 119.813 119.813 119.751 0.062 18171 860 1 3 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.093 0.133 18171 861 1 3 . 1 1 29 29 GLU C C 29 180.544 180.544 179.253 1.291 18171 862 1 3 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.052 0.644 18171 863 1 3 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.529 0.148 18171 864 1 3 . 1 1 29 29 GLU H H 29 8.302 8.302 8.313 -0.011 18171 865 1 3 . 1 1 30 30 CYS N N 30 118.465 118.465 118.338 0.127 18171 866 1 3 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.359 0.094 18171 867 1 3 . 1 1 30 30 CYS C C 30 175.357 175.357 175.885 -0.528 18171 868 1 3 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.834 0.648 18171 869 1 3 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.460 -0.670 18171 870 1 3 . 1 1 30 30 CYS H H 30 8.465 8.465 8.488 -0.023 18171 871 1 3 . 1 1 31 31 SER N N 31 114.366 114.366 115.588 -1.222 18171 872 1 3 . 1 1 31 31 SER HA H 31 4.174 4.174 4.213 -0.039 18171 873 1 3 . 1 1 31 31 SER C C 31 175.371 175.371 176.409 -1.038 18171 874 1 3 . 1 1 31 31 SER CA C 31 60.932 60.932 61.325 -0.393 18171 875 1 3 . 1 1 31 31 SER CB C 31 62.749 62.749 62.635 0.114 18171 876 1 3 . 1 1 31 31 SER H H 31 7.859 7.859 7.575 0.284 18171 877 1 3 . 1 1 32 32 GLU N N 32 119.996 119.996 121.709 -1.713 18171 878 1 3 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.187 0.017 18171 879 1 3 . 1 1 32 32 GLU C C 32 176.983 176.983 176.880 0.103 18171 880 1 3 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.258 -0.286 18171 881 1 3 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.373 -0.296 18171 882 1 3 . 1 1 32 32 GLU H H 32 7.254 7.254 8.287 -1.033 18171 883 1 3 . 1 1 33 33 ASN N N 33 113.026 113.026 113.216 -0.190 18171 884 1 3 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.971 0.002 18171 885 1 3 . 1 1 33 33 ASN C C 33 173.504 173.504 173.090 0.414 18171 886 1 3 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.667 -1.931 18171 887 1 3 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.990 0.495 18171 888 1 3 . 1 1 33 33 ASN H H 33 7.370 7.370 8.461 -1.091 18171 889 1 3 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.299 0.275 18171 890 1 3 . 1 1 34 34 PRO C C 34 178.270 178.270 177.733 0.537 18171 891 1 3 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.037 -0.210 18171 892 1 3 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.004 -0.250 18171 893 1 3 . 1 1 35 35 MET N N 35 115.258 115.258 113.398 1.860 18171 894 1 3 . 1 1 35 35 MET HA H 35 4.330 4.330 4.399 -0.069 18171 895 1 3 . 1 1 35 35 MET C C 35 178.569 178.569 176.947 1.622 18171 896 1 3 . 1 1 35 35 MET CA C 35 57.050 57.050 57.517 -0.467 18171 897 1 3 . 1 1 35 35 MET CB C 35 31.300 31.300 31.299 0.000 18171 898 1 3 . 1 1 35 35 MET H H 35 7.962 7.962 7.886 0.076 18171 899 1 3 . 1 1 36 36 ASN N N 36 117.357 117.357 119.407 -2.050 18171 900 1 3 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.562 0.011 18171 901 1 3 . 1 1 36 36 ASN C C 36 176.470 176.470 177.407 -0.937 18171 902 1 3 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.843 -0.717 18171 903 1 3 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.680 -0.238 18171 904 1 3 . 1 1 36 36 ASN H H 36 8.462 8.462 8.451 0.011 18171 905 1 3 . 1 1 37 37 ILE N N 37 121.622 121.622 122.011 -0.389 18171 906 1 3 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.690 0.420 18171 907 1 3 . 1 1 37 37 ILE C C 37 177.331 177.331 176.574 0.757 18171 908 1 3 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.651 -1.063 18171 909 1 3 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.077 -0.062 18171 910 1 3 . 1 1 37 37 ILE H H 37 7.820 7.820 7.473 0.347 18171 911 1 3 . 1 1 38 38 MET N N 38 118.071 118.071 116.433 1.638 18171 912 1 3 . 1 1 38 38 MET HA H 38 4.174 4.174 4.125 0.049 18171 913 1 3 . 1 1 38 38 MET C C 38 178.456 178.456 177.428 1.028 18171 914 1 3 . 1 1 38 38 MET CA C 38 57.563 57.563 57.495 0.068 18171 915 1 3 . 1 1 38 38 MET CB C 38 31.533 31.533 31.533 0.000 18171 916 1 3 . 1 1 38 38 MET H H 38 7.479 7.479 7.709 -0.230 18171 917 1 3 . 1 1 39 39 LYS N N 39 117.427 117.427 118.641 -1.214 18171 918 1 3 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.082 -0.135 18171 919 1 3 . 1 1 39 39 LYS C C 39 177.456 177.456 178.670 -1.214 18171 920 1 3 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.336 -0.324 18171 921 1 3 . 1 1 39 39 LYS CB C 39 31.773 31.773 32.987 -1.214 18171 922 1 3 . 1 1 39 39 LYS H H 39 7.580 7.580 7.875 -0.295 18171 923 1 3 . 1 1 40 40 TYR N N 40 116.049 116.049 118.357 -2.308 18171 924 1 3 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.284 0.246 18171 925 1 3 . 1 1 40 40 TYR C C 40 175.635 175.635 177.987 -2.352 18171 926 1 3 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.146 -0.748 18171 927 1 3 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.902 2.588 18171 928 1 3 . 1 1 40 40 TYR H H 40 7.651 7.651 7.589 0.062 18171 929 1 3 . 1 1 41 41 GLN N N 41 116.626 116.626 120.646 -4.020 18171 930 1 3 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.962 0.371 18171 931 1 3 . 1 1 41 41 GLN C C 41 175.887 175.887 176.569 -0.682 18171 932 1 3 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.600 -0.014 18171 933 1 3 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.339 1.708 18171 934 1 3 . 1 1 41 41 GLN H H 41 7.001 7.001 7.808 -0.807 18171 935 1 3 . 1 1 42 42 ASN N N 42 114.491 114.491 115.880 -1.389 18171 936 1 3 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.602 0.260 18171 937 1 3 . 1 1 42 42 ASN C C 42 173.784 173.784 174.963 -1.179 18171 938 1 3 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.951 -1.419 18171 939 1 3 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.462 -0.874 18171 940 1 3 . 1 1 42 42 ASN H H 42 8.281 8.281 7.522 0.759 18171 941 1 3 . 1 1 43 43 ASP N N 43 122.981 122.981 122.129 0.852 18171 942 1 3 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.750 0.005 18171 943 1 3 . 1 1 43 43 ASP C C 43 174.773 174.773 176.114 -1.341 18171 944 1 3 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.006 -0.399 18171 945 1 3 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.642 0.727 18171 946 1 3 . 1 1 43 43 ASP H H 43 7.960 7.960 7.986 -0.026 18171 947 1 3 . 1 1 44 44 LYS N N 44 125.893 125.893 127.213 -1.320 18171 948 1 3 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.897 -0.037 18171 949 1 3 . 1 1 44 44 LYS C C 44 177.796 177.796 178.054 -0.258 18171 950 1 3 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.294 0.502 18171 951 1 3 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.539 -0.003 18171 952 1 3 . 1 1 44 44 LYS H H 44 8.361 8.361 7.981 0.380 18171 953 1 3 . 1 1 45 45 GLU N N 45 116.698 116.698 118.233 -1.535 18171 954 1 3 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.134 -0.067 18171 955 1 3 . 1 1 45 45 GLU C C 45 178.724 178.724 178.729 -0.005 18171 956 1 3 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.416 0.039 18171 957 1 3 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.337 0.420 18171 958 1 3 . 1 1 45 45 GLU H H 45 8.127 8.127 7.924 0.203 18171 959 1 3 . 1 1 46 46 VAL N N 46 117.476 117.476 119.788 -2.312 18171 960 1 3 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.706 -0.292 18171 961 1 3 . 1 1 46 46 VAL C C 46 177.879 177.879 178.009 -0.130 18171 962 1 3 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.177 0.254 18171 963 1 3 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.469 0.559 18171 964 1 3 . 1 1 46 46 VAL H H 46 7.452 7.452 7.594 -0.142 18171 965 1 3 . 1 1 47 47 MET N N 47 117.027 117.027 119.777 -2.750 18171 966 1 3 . 1 1 47 47 MET HA H 47 4.479 4.479 4.010 0.469 18171 967 1 3 . 1 1 47 47 MET C C 47 179.307 179.307 178.350 0.957 18171 968 1 3 . 1 1 47 47 MET CA C 47 56.809 56.809 60.072 -3.263 18171 969 1 3 . 1 1 47 47 MET CB C 47 30.371 30.371 32.037 -1.666 18171 970 1 3 . 1 1 47 47 MET H H 47 8.542 8.542 7.928 0.614 18171 971 1 3 . 1 1 48 48 ASP N N 48 119.811 119.811 119.459 0.352 18171 972 1 3 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.368 0.124 18171 973 1 3 . 1 1 48 48 ASP C C 48 179.136 179.136 179.070 0.066 18171 974 1 3 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.854 -0.283 18171 975 1 3 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.922 -0.469 18171 976 1 3 . 1 1 48 48 ASP H H 48 8.580 8.580 7.877 0.703 18171 977 1 3 . 1 1 49 49 VAL N N 49 118.816 118.816 119.613 -0.797 18171 978 1 3 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.762 -0.124 18171 979 1 3 . 1 1 49 49 VAL C C 49 177.777 177.777 177.701 0.076 18171 980 1 3 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.477 -0.020 18171 981 1 3 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.712 -0.646 18171 982 1 3 . 1 1 49 49 VAL H H 49 7.319 7.319 7.554 -0.235 18171 983 1 3 . 1 1 50 50 PHE N N 50 120.305 120.305 119.510 0.795 18171 984 1 3 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.122 0.014 18171 985 1 3 . 1 1 50 50 PHE C C 50 178.505 178.505 177.898 0.607 18171 986 1 3 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.576 -1.036 18171 987 1 3 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.602 -0.293 18171 988 1 3 . 1 1 50 50 PHE H H 50 8.529 8.529 9.156 -0.627 18171 989 1 3 . 1 1 51 51 ASN N N 51 117.888 117.888 117.221 0.667 18171 990 1 3 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.546 -0.131 18171 991 1 3 . 1 1 51 51 ASN C C 51 177.863 177.863 177.022 0.841 18171 992 1 3 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.893 0.275 18171 993 1 3 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.473 -0.164 18171 994 1 3 . 1 1 51 51 ASN H H 51 8.886 8.886 8.657 0.229 18171 995 1 3 . 1 1 52 52 LYS N N 52 120.120 120.120 122.159 -2.039 18171 996 1 3 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.101 0.009 18171 997 1 3 . 1 1 52 52 LYS C C 52 179.002 179.002 178.366 0.636 18171 998 1 3 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.001 -0.027 18171 999 1 3 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.526 -0.471 18171 1000 1 3 . 1 1 52 52 LYS H H 52 7.760 7.760 7.163 0.597 18171 1001 1 3 . 1 1 53 53 ILE N N 53 117.988 117.988 120.201 -2.213 18171 1002 1 3 . 1 1 53 53 ILE HA H 53 3.757 3.757 2.772 0.985 18171 1003 1 3 . 1 1 53 53 ILE C C 53 177.686 177.686 177.043 0.643 18171 1004 1 3 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.107 0.934 18171 1005 1 3 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.264 0.404 18171 1006 1 3 . 1 1 53 53 ILE H H 53 8.400 8.400 8.495 -0.095 18171 1007 1 3 . 1 1 54 54 SER N N 54 114.267 114.267 113.819 0.448 18171 1008 1 3 . 1 1 54 54 SER HA H 54 4.050 4.050 4.073 -0.023 18171 1009 1 3 . 1 1 54 54 SER C C 54 175.690 175.690 176.138 -0.448 18171 1010 1 3 . 1 1 54 54 SER CA C 54 61.417 61.417 60.772 0.645 18171 1011 1 3 . 1 1 54 54 SER CB C 54 62.922 62.922 63.153 -0.231 18171 1012 1 3 . 1 1 54 54 SER H H 54 8.042 8.042 7.486 0.556 18171 1013 1 3 . 1 1 55 55 GLN N N 55 118.045 118.045 119.793 -1.748 18171 1014 1 3 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.062 0.078 18171 1015 1 3 . 1 1 55 55 GLN C C 55 177.193 177.193 177.761 -0.568 18171 1016 1 3 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.054 -0.972 18171 1017 1 3 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.072 -0.352 18171 1018 1 3 . 1 1 55 55 GLN H H 55 7.415 7.415 7.457 -0.042 18171 1019 1 3 . 1 1 56 56 LEU N N 56 118.492 118.492 117.276 1.216 18171 1020 1 3 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.330 -0.297 18171 1021 1 3 . 1 1 56 56 LEU C C 56 176.578 176.578 176.783 -0.205 18171 1022 1 3 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.211 -0.306 18171 1023 1 3 . 1 1 56 56 LEU CB C 56 42.549 42.549 43.754 -1.205 18171 1024 1 3 . 1 1 56 56 LEU H H 56 7.732 7.732 7.767 -0.035 18171 1025 1 3 . 1 1 57 57 PHE N N 57 116.774 116.774 113.624 3.150 18171 1026 1 3 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.857 0.035 18171 1027 1 3 . 1 1 57 57 PHE C C 57 173.125 173.125 173.180 -0.055 18171 1028 1 3 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.309 0.902 18171 1029 1 3 . 1 1 57 57 PHE CB C 57 39.023 39.023 39.442 -0.419 18171 1030 1 3 . 1 1 57 57 PHE H H 57 7.629 7.629 7.429 0.200 18171 1031 1 3 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.621 -0.141 18171 1032 1 3 . 1 1 58 58 PRO C C 58 178.090 178.090 176.343 1.747 18171 1033 1 3 . 1 1 58 58 PRO CA C 58 63.972 63.972 62.716 1.256 18171 1034 1 3 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.226 0.701 18171 1035 1 3 . 1 1 59 59 GLY N N 59 108.335 108.335 109.191 -0.856 18171 1036 1 3 . 1 1 59 59 GLY C C 59 174.930 174.930 173.644 1.286 18171 1037 1 3 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.845 -0.461 18171 1038 1 3 . 1 1 59 59 GLY H H 59 8.411 8.411 7.729 0.682 18171 1039 1 3 . 1 1 60 60 MET N N 60 119.206 119.206 118.536 0.670 18171 1040 1 3 . 1 1 60 60 MET HA H 60 4.467 4.467 4.690 -0.223 18171 1041 1 3 . 1 1 60 60 MET C C 60 176.320 176.320 177.115 -0.795 18171 1042 1 3 . 1 1 60 60 MET CA C 60 56.395 56.395 55.941 0.454 18171 1043 1 3 . 1 1 60 60 MET CB C 60 32.964 32.964 33.298 -0.334 18171 1044 1 3 . 1 1 60 60 MET H H 60 8.053 8.053 8.104 -0.051 18171 1045 1 3 . 1 1 61 61 THR N N 61 111.041 111.041 116.544 -5.503 18171 1046 1 3 . 1 1 61 61 THR HA H 61 4.402 4.402 4.214 0.188 18171 1047 1 3 . 1 1 61 61 THR C C 61 173.976 173.976 175.924 -1.948 18171 1048 1 3 . 1 1 61 61 THR CA C 61 61.233 61.233 63.065 -1.832 18171 1049 1 3 . 1 1 61 61 THR CB C 61 70.120 70.120 68.956 1.164 18171 1050 1 3 . 1 1 61 61 THR H H 61 7.880 7.880 8.467 -0.587 18171 1051 1 4 . 1 1 2 2 GLU N N 2 115.081 115.081 121.175 -6.094 18171 1052 1 4 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.000 -0.140 18171 1053 1 4 . 1 1 2 2 GLU C C 2 179.259 179.259 178.318 0.941 18171 1054 1 4 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.188 1.171 18171 1055 1 4 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.312 -0.586 18171 1056 1 4 . 1 1 2 2 GLU H H 2 8.756 8.756 8.956 -0.200 18171 1057 1 4 . 1 1 3 3 GLU N N 3 120.051 120.051 119.604 0.447 18171 1058 1 4 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.096 -0.080 18171 1059 1 4 . 1 1 3 3 GLU C C 3 178.863 178.863 178.810 0.053 18171 1060 1 4 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.491 -0.485 18171 1061 1 4 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.335 1.030 18171 1062 1 4 . 1 1 3 3 GLU H H 3 7.722 7.722 8.424 -0.702 18171 1063 1 4 . 1 1 4 4 VAL N N 4 120.223 120.223 119.899 0.324 18171 1064 1 4 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.762 -0.253 18171 1065 1 4 . 1 1 4 4 VAL C C 4 177.687 177.687 178.196 -0.509 18171 1066 1 4 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.727 0.940 18171 1067 1 4 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.788 -0.247 18171 1068 1 4 . 1 1 4 4 VAL H H 4 7.815 7.815 7.452 0.363 18171 1069 1 4 . 1 1 5 5 ILE N N 5 118.475 118.475 118.900 -0.425 18171 1070 1 4 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.468 0.032 18171 1071 1 4 . 1 1 5 5 ILE C C 5 177.638 177.638 177.855 -0.217 18171 1072 1 4 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.033 -0.672 18171 1073 1 4 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.157 -0.021 18171 1074 1 4 . 1 1 5 5 ILE H H 5 8.293 8.293 8.009 0.284 18171 1075 1 4 . 1 1 6 6 SER N N 6 113.327 113.327 114.525 -1.198 18171 1076 1 4 . 1 1 6 6 SER HA H 6 4.034 4.034 4.174 -0.140 18171 1077 1 4 . 1 1 6 6 SER C C 6 176.398 176.398 176.628 -0.230 18171 1078 1 4 . 1 1 6 6 SER CA C 6 61.781 61.781 61.228 0.552 18171 1079 1 4 . 1 1 6 6 SER CB C 6 62.770 62.770 62.923 -0.153 18171 1080 1 4 . 1 1 6 6 SER H H 6 7.740 7.740 7.790 -0.050 18171 1081 1 4 . 1 1 7 7 LYS N N 7 119.755 119.755 122.415 -2.660 18171 1082 1 4 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.180 -0.037 18171 1083 1 4 . 1 1 7 7 LYS C C 7 179.622 179.622 178.818 0.804 18171 1084 1 4 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.733 -0.727 18171 1085 1 4 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.908 -0.166 18171 1086 1 4 . 1 1 7 7 LYS H H 7 7.523 7.523 8.114 -0.591 18171 1087 1 4 . 1 1 8 8 ILE N N 8 119.544 119.544 120.173 -0.629 18171 1088 1 4 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.853 -0.210 18171 1089 1 4 . 1 1 8 8 ILE C C 8 177.510 177.510 177.241 0.269 18171 1090 1 4 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.027 2.153 18171 1091 1 4 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.167 1.294 18171 1092 1 4 . 1 1 8 8 ILE H H 8 8.132 8.132 7.873 0.259 18171 1093 1 4 . 1 1 9 9 MET N N 9 114.616 114.616 116.895 -2.279 18171 1094 1 4 . 1 1 9 9 MET HA H 9 4.104 4.104 4.187 -0.083 18171 1095 1 4 . 1 1 9 9 MET C C 9 177.018 177.018 177.099 -0.081 18171 1096 1 4 . 1 1 9 9 MET CA C 9 56.601 56.601 57.800 -1.199 18171 1097 1 4 . 1 1 9 9 MET CB C 9 31.479 31.479 31.642 -0.163 18171 1098 1 4 . 1 1 9 9 MET H H 9 7.835 7.835 7.451 0.384 18171 1099 1 4 . 1 1 10 10 GLU N N 10 116.206 116.206 118.154 -1.948 18171 1100 1 4 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.104 0.048 18171 1101 1 4 . 1 1 10 10 GLU C C 10 176.263 176.263 176.981 -0.718 18171 1102 1 4 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.282 -0.200 18171 1103 1 4 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.829 0.181 18171 1104 1 4 . 1 1 10 10 GLU H H 10 7.318 7.318 7.875 -0.557 18171 1105 1 4 . 1 1 11 11 ASN N N 11 119.007 119.007 117.412 1.595 18171 1106 1 4 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.125 0.016 18171 1107 1 4 . 1 1 11 11 ASN C C 11 173.093 173.093 173.149 -0.056 18171 1108 1 4 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.751 -1.042 18171 1109 1 4 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.402 0.698 18171 1110 1 4 . 1 1 11 11 ASN H H 11 7.707 7.707 7.955 -0.248 18171 1111 1 4 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.125 0.158 18171 1112 1 4 . 1 1 12 12 PRO C C 12 177.932 177.932 177.860 0.072 18171 1113 1 4 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.987 0.241 18171 1114 1 4 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.777 0.230 18171 1115 1 4 . 1 1 13 13 ASP N N 13 116.410 116.410 116.919 -0.509 18171 1116 1 4 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.442 -0.017 18171 1117 1 4 . 1 1 13 13 ASP C C 13 178.456 178.456 178.086 0.370 18171 1118 1 4 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.209 -0.400 18171 1119 1 4 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.921 -0.982 18171 1120 1 4 . 1 1 13 13 ASP H H 13 8.218 8.218 8.305 -0.087 18171 1121 1 4 . 1 1 14 14 VAL N N 14 120.053 120.053 120.115 -0.062 18171 1122 1 4 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.869 -0.087 18171 1123 1 4 . 1 1 14 14 VAL C C 14 177.045 177.045 177.932 -0.887 18171 1124 1 4 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.697 -1.347 18171 1125 1 4 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.249 0.512 18171 1126 1 4 . 1 1 14 14 VAL H H 14 7.722 7.722 8.227 -0.505 18171 1127 1 4 . 1 1 15 15 ALA N N 15 121.814 121.814 122.424 -0.610 18171 1128 1 4 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.738 0.184 18171 1129 1 4 . 1 1 15 15 ALA C C 15 180.315 180.315 179.075 1.240 18171 1130 1 4 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.038 0.616 18171 1131 1 4 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.198 -0.021 18171 1132 1 4 . 1 1 15 15 ALA H H 15 8.245 8.245 7.442 0.803 18171 1133 1 4 . 1 1 16 16 MET N N 16 114.438 114.438 117.376 -2.938 18171 1134 1 4 . 1 1 16 16 MET HA H 16 4.234 4.234 4.395 -0.161 18171 1135 1 4 . 1 1 16 16 MET C C 16 178.930 178.930 178.619 0.311 18171 1136 1 4 . 1 1 16 16 MET CA C 16 58.011 58.011 58.412 -0.401 18171 1137 1 4 . 1 1 16 16 MET CB C 16 32.027 32.027 33.126 -1.099 18171 1138 1 4 . 1 1 16 16 MET H H 16 7.878 7.878 7.844 0.034 18171 1139 1 4 . 1 1 17 17 ALA N N 17 123.280 123.280 123.549 -0.269 18171 1140 1 4 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.169 0.009 18171 1141 1 4 . 1 1 17 17 ALA C C 17 179.091 179.091 179.602 -0.511 18171 1142 1 4 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.971 -0.408 18171 1143 1 4 . 1 1 17 17 ALA CB C 17 18.391 18.391 17.998 0.393 18171 1144 1 4 . 1 1 17 17 ALA H H 17 7.647 7.647 8.186 -0.539 18171 1145 1 4 . 1 1 18 18 PHE N N 18 114.808 114.808 116.638 -1.830 18171 1146 1 4 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.251 -0.133 18171 1147 1 4 . 1 1 18 18 PHE C C 18 175.169 175.169 176.793 -1.624 18171 1148 1 4 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.433 -0.999 18171 1149 1 4 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.705 0.338 18171 1150 1 4 . 1 1 18 18 PHE H H 18 8.032 8.032 8.527 -0.495 18171 1151 1 4 . 1 1 19 19 GLN N N 19 114.221 114.221 117.133 -2.912 18171 1152 1 4 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.339 -0.272 18171 1153 1 4 . 1 1 19 19 GLN C C 19 175.843 175.843 175.742 0.101 18171 1154 1 4 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.687 0.460 18171 1155 1 4 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.479 0.141 18171 1156 1 4 . 1 1 19 19 GLN H H 19 7.414 7.414 7.652 -0.238 18171 1157 1 4 . 1 1 20 20 ASN N N 20 119.994 119.994 118.825 1.169 18171 1158 1 4 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.180 -0.297 18171 1159 1 4 . 1 1 20 20 ASN C C 20 174.726 174.726 174.117 0.609 18171 1160 1 4 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.479 0.122 18171 1161 1 4 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.762 -1.505 18171 1162 1 4 . 1 1 20 20 ASN H H 20 7.497 7.497 7.929 -0.432 18171 1163 1 4 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.461 -0.272 18171 1164 1 4 . 1 1 21 21 PRO C C 21 178.747 178.747 178.500 0.247 18171 1165 1 4 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.578 -0.532 18171 1166 1 4 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.221 -0.100 18171 1167 1 4 . 1 1 22 22 ARG N N 22 117.899 117.899 118.254 -0.355 18171 1168 1 4 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.923 0.170 18171 1169 1 4 . 1 1 22 22 ARG C C 22 178.827 178.827 178.332 0.495 18171 1170 1 4 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.391 -0.404 18171 1171 1 4 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.501 0.930 18171 1172 1 4 . 1 1 22 22 ARG H H 22 8.066 8.066 8.341 -0.275 18171 1173 1 4 . 1 1 23 23 VAL N N 23 119.694 119.694 119.197 0.497 18171 1174 1 4 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.632 -0.248 18171 1175 1 4 . 1 1 23 23 VAL C C 23 177.319 177.319 177.652 -0.333 18171 1176 1 4 . 1 1 23 23 VAL CA C 23 65.748 65.748 65.997 -0.249 18171 1177 1 4 . 1 1 23 23 VAL CB C 23 31.521 31.521 30.956 0.565 18171 1178 1 4 . 1 1 23 23 VAL H H 23 7.199 7.199 7.530 -0.331 18171 1179 1 4 . 1 1 24 24 GLN N N 24 117.842 117.842 119.853 -2.011 18171 1180 1 4 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.731 -0.098 18171 1181 1 4 . 1 1 24 24 GLN C C 24 177.902 177.902 178.150 -0.248 18171 1182 1 4 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.216 0.453 18171 1183 1 4 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.512 -0.492 18171 1184 1 4 . 1 1 24 24 GLN H H 24 7.790 7.790 8.375 -0.585 18171 1185 1 4 . 1 1 25 25 ALA N N 25 119.267 119.267 120.594 -1.327 18171 1186 1 4 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.001 0.045 18171 1187 1 4 . 1 1 25 25 ALA C C 25 179.854 179.854 178.734 1.120 18171 1188 1 4 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.637 0.409 18171 1189 1 4 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.176 -0.352 18171 1190 1 4 . 1 1 25 25 ALA H H 25 7.808 7.808 8.293 -0.485 18171 1191 1 4 . 1 1 26 26 ALA N N 26 120.738 120.738 122.147 -1.409 18171 1192 1 4 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.561 0.360 18171 1193 1 4 . 1 1 26 26 ALA C C 26 179.988 179.988 179.671 0.317 18171 1194 1 4 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.361 0.838 18171 1195 1 4 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.656 0.515 18171 1196 1 4 . 1 1 26 26 ALA H H 26 7.500 7.500 7.345 0.155 18171 1197 1 4 . 1 1 27 27 LEU N N 27 118.511 118.511 119.088 -0.577 18171 1198 1 4 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.120 -0.207 18171 1199 1 4 . 1 1 27 27 LEU C C 27 179.923 179.923 178.955 0.968 18171 1200 1 4 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.727 0.332 18171 1201 1 4 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.889 -0.961 18171 1202 1 4 . 1 1 27 27 LEU H H 27 8.324 8.324 8.108 0.216 18171 1203 1 4 . 1 1 28 28 MET N N 28 118.681 118.681 118.797 -0.116 18171 1204 1 4 . 1 1 28 28 MET HA H 28 4.144 4.144 4.101 0.043 18171 1205 1 4 . 1 1 28 28 MET C C 28 179.635 179.635 178.028 1.607 18171 1206 1 4 . 1 1 28 28 MET CA C 28 58.734 58.734 57.812 0.922 18171 1207 1 4 . 1 1 28 28 MET CB C 28 31.901 31.901 32.447 -0.546 18171 1208 1 4 . 1 1 28 28 MET H H 28 8.127 8.127 8.362 -0.235 18171 1209 1 4 . 1 1 29 29 GLU N N 29 119.813 119.813 118.270 1.543 18171 1210 1 4 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.232 -0.006 18171 1211 1 4 . 1 1 29 29 GLU C C 29 180.544 180.544 179.130 1.414 18171 1212 1 4 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.635 1.061 18171 1213 1 4 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.636 0.041 18171 1214 1 4 . 1 1 29 29 GLU H H 29 8.302 8.302 8.103 0.199 18171 1215 1 4 . 1 1 30 30 CYS N N 30 118.465 118.465 119.440 -0.975 18171 1216 1 4 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.472 -0.019 18171 1217 1 4 . 1 1 30 30 CYS C C 30 175.357 175.357 175.840 -0.483 18171 1218 1 4 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.282 0.200 18171 1219 1 4 . 1 1 30 30 CYS CB C 30 26.790 26.790 28.050 -1.260 18171 1220 1 4 . 1 1 30 30 CYS H H 30 8.465 8.465 7.982 0.483 18171 1221 1 4 . 1 1 31 31 SER N N 31 114.366 114.366 113.768 0.598 18171 1222 1 4 . 1 1 31 31 SER HA H 31 4.174 4.174 4.184 -0.010 18171 1223 1 4 . 1 1 31 31 SER C C 31 175.371 175.371 175.865 -0.494 18171 1224 1 4 . 1 1 31 31 SER CA C 31 60.932 60.932 60.915 0.017 18171 1225 1 4 . 1 1 31 31 SER CB C 31 62.749 62.749 63.003 -0.254 18171 1226 1 4 . 1 1 31 31 SER H H 31 7.859 7.859 7.721 0.138 18171 1227 1 4 . 1 1 32 32 GLU N N 32 119.996 119.996 119.689 0.307 18171 1228 1 4 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.287 -0.083 18171 1229 1 4 . 1 1 32 32 GLU C C 32 176.983 176.983 176.463 0.520 18171 1230 1 4 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.995 -0.023 18171 1231 1 4 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.474 -0.397 18171 1232 1 4 . 1 1 32 32 GLU H H 32 7.254 7.254 8.097 -0.843 18171 1233 1 4 . 1 1 33 33 ASN N N 33 113.026 113.026 112.691 0.335 18171 1234 1 4 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.897 0.076 18171 1235 1 4 . 1 1 33 33 ASN C C 33 173.504 173.504 173.055 0.449 18171 1236 1 4 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.964 -1.228 18171 1237 1 4 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.858 2.627 18171 1238 1 4 . 1 1 33 33 ASN H H 33 7.370 7.370 7.715 -0.345 18171 1239 1 4 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.402 0.172 18171 1240 1 4 . 1 1 34 34 PRO C C 34 178.270 178.270 177.229 1.041 18171 1241 1 4 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.200 -0.373 18171 1242 1 4 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.847 -0.093 18171 1243 1 4 . 1 1 35 35 MET N N 35 115.258 115.258 113.933 1.325 18171 1244 1 4 . 1 1 35 35 MET HA H 35 4.330 4.330 4.248 0.082 18171 1245 1 4 . 1 1 35 35 MET C C 35 178.569 178.569 177.002 1.567 18171 1246 1 4 . 1 1 35 35 MET CA C 35 57.050 57.050 56.770 0.280 18171 1247 1 4 . 1 1 35 35 MET CB C 35 31.300 31.300 31.236 0.064 18171 1248 1 4 . 1 1 35 35 MET H H 35 7.962 7.962 8.033 -0.071 18171 1249 1 4 . 1 1 36 36 ASN N N 36 117.357 117.357 117.319 0.038 18171 1250 1 4 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.383 0.190 18171 1251 1 4 . 1 1 36 36 ASN C C 36 176.470 176.470 177.081 -0.611 18171 1252 1 4 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.920 -0.794 18171 1253 1 4 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.325 0.117 18171 1254 1 4 . 1 1 36 36 ASN H H 36 8.462 8.462 8.306 0.156 18171 1255 1 4 . 1 1 37 37 ILE N N 37 121.622 121.622 121.704 -0.082 18171 1256 1 4 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.959 0.151 18171 1257 1 4 . 1 1 37 37 ILE C C 37 177.331 177.331 176.283 1.048 18171 1258 1 4 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.387 0.201 18171 1259 1 4 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.187 -0.172 18171 1260 1 4 . 1 1 37 37 ILE H H 37 7.820 7.820 7.485 0.335 18171 1261 1 4 . 1 1 38 38 MET N N 38 118.071 118.071 117.132 0.939 18171 1262 1 4 . 1 1 38 38 MET HA H 38 4.174 4.174 4.262 -0.088 18171 1263 1 4 . 1 1 38 38 MET C C 38 178.456 178.456 176.293 2.163 18171 1264 1 4 . 1 1 38 38 MET CA C 38 57.563 57.563 55.766 1.797 18171 1265 1 4 . 1 1 38 38 MET CB C 38 31.533 31.533 30.313 1.220 18171 1266 1 4 . 1 1 38 38 MET H H 38 7.479 7.479 7.666 -0.187 18171 1267 1 4 . 1 1 39 39 LYS N N 39 117.427 117.427 117.573 -0.146 18171 1268 1 4 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.267 -0.320 18171 1269 1 4 . 1 1 39 39 LYS C C 39 177.456 177.456 177.439 0.017 18171 1270 1 4 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.824 1.188 18171 1271 1 4 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.491 -2.718 18171 1272 1 4 . 1 1 39 39 LYS H H 39 7.580 7.580 7.481 0.099 18171 1273 1 4 . 1 1 40 40 TYR N N 40 116.049 116.049 119.268 -3.219 18171 1274 1 4 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.721 -0.191 18171 1275 1 4 . 1 1 40 40 TYR C C 40 175.635 175.635 178.083 -2.448 18171 1276 1 4 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.302 0.096 18171 1277 1 4 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.983 2.507 18171 1278 1 4 . 1 1 40 40 TYR H H 40 7.651 7.651 7.311 0.340 18171 1279 1 4 . 1 1 41 41 GLN N N 41 116.626 116.626 119.900 -3.274 18171 1280 1 4 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.966 0.367 18171 1281 1 4 . 1 1 41 41 GLN C C 41 175.887 175.887 176.600 -0.713 18171 1282 1 4 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.512 0.074 18171 1283 1 4 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.265 1.782 18171 1284 1 4 . 1 1 41 41 GLN H H 41 7.001 7.001 7.798 -0.797 18171 1285 1 4 . 1 1 42 42 ASN N N 42 114.491 114.491 113.965 0.526 18171 1286 1 4 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.570 0.292 18171 1287 1 4 . 1 1 42 42 ASN C C 42 173.784 173.784 175.361 -1.577 18171 1288 1 4 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.251 -0.719 18171 1289 1 4 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.640 -0.052 18171 1290 1 4 . 1 1 42 42 ASN H H 42 8.281 8.281 7.631 0.650 18171 1291 1 4 . 1 1 43 43 ASP N N 43 122.981 122.981 122.582 0.399 18171 1292 1 4 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.708 0.047 18171 1293 1 4 . 1 1 43 43 ASP C C 43 174.773 174.773 176.117 -1.344 18171 1294 1 4 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.227 -0.620 18171 1295 1 4 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.844 0.525 18171 1296 1 4 . 1 1 43 43 ASP H H 43 7.960 7.960 8.227 -0.267 18171 1297 1 4 . 1 1 44 44 LYS N N 44 125.893 125.893 127.420 -1.527 18171 1298 1 4 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.892 -0.032 18171 1299 1 4 . 1 1 44 44 LYS C C 44 177.796 177.796 178.185 -0.389 18171 1300 1 4 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.427 0.369 18171 1301 1 4 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.532 0.004 18171 1302 1 4 . 1 1 44 44 LYS H H 44 8.361 8.361 8.009 0.352 18171 1303 1 4 . 1 1 45 45 GLU N N 45 116.698 116.698 118.320 -1.622 18171 1304 1 4 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.128 -0.061 18171 1305 1 4 . 1 1 45 45 GLU C C 45 178.724 178.724 178.769 -0.045 18171 1306 1 4 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.344 0.111 18171 1307 1 4 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.343 0.414 18171 1308 1 4 . 1 1 45 45 GLU H H 45 8.127 8.127 7.951 0.176 18171 1309 1 4 . 1 1 46 46 VAL N N 46 117.476 117.476 119.487 -2.011 18171 1310 1 4 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.656 -0.242 18171 1311 1 4 . 1 1 46 46 VAL C C 46 177.879 177.879 178.158 -0.279 18171 1312 1 4 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.798 0.632 18171 1313 1 4 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.072 0.956 18171 1314 1 4 . 1 1 46 46 VAL H H 46 7.452 7.452 7.547 -0.095 18171 1315 1 4 . 1 1 47 47 MET N N 47 117.027 117.027 119.965 -2.938 18171 1316 1 4 . 1 1 47 47 MET HA H 47 4.479 4.479 4.035 0.444 18171 1317 1 4 . 1 1 47 47 MET C C 47 179.307 179.307 178.409 0.898 18171 1318 1 4 . 1 1 47 47 MET CA C 47 56.809 56.809 60.161 -3.352 18171 1319 1 4 . 1 1 47 47 MET CB C 47 30.371 30.371 32.135 -1.764 18171 1320 1 4 . 1 1 47 47 MET H H 47 8.542 8.542 8.099 0.443 18171 1321 1 4 . 1 1 48 48 ASP N N 48 119.811 119.811 119.323 0.488 18171 1322 1 4 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.426 0.066 18171 1323 1 4 . 1 1 48 48 ASP C C 48 179.136 179.136 179.072 0.064 18171 1324 1 4 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.828 -0.257 18171 1325 1 4 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.976 -0.523 18171 1326 1 4 . 1 1 48 48 ASP H H 48 8.580 8.580 7.837 0.743 18171 1327 1 4 . 1 1 49 49 VAL N N 49 118.816 118.816 119.851 -1.035 18171 1328 1 4 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.719 -0.081 18171 1329 1 4 . 1 1 49 49 VAL C C 49 177.777 177.777 177.802 -0.025 18171 1330 1 4 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.710 -0.253 18171 1331 1 4 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.143 -1.077 18171 1332 1 4 . 1 1 49 49 VAL H H 49 7.319 7.319 7.553 -0.234 18171 1333 1 4 . 1 1 50 50 PHE N N 50 120.305 120.305 118.683 1.622 18171 1334 1 4 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.192 -0.056 18171 1335 1 4 . 1 1 50 50 PHE C C 50 178.505 178.505 177.935 0.570 18171 1336 1 4 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.475 0.065 18171 1337 1 4 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.623 -0.314 18171 1338 1 4 . 1 1 50 50 PHE H H 50 8.529 8.529 9.090 -0.561 18171 1339 1 4 . 1 1 51 51 ASN N N 51 117.888 117.888 117.515 0.373 18171 1340 1 4 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.570 -0.155 18171 1341 1 4 . 1 1 51 51 ASN C C 51 177.863 177.863 177.303 0.560 18171 1342 1 4 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.945 0.223 18171 1343 1 4 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.695 -0.386 18171 1344 1 4 . 1 1 51 51 ASN H H 51 8.886 8.886 8.676 0.210 18171 1345 1 4 . 1 1 52 52 LYS N N 52 120.120 120.120 121.392 -1.272 18171 1346 1 4 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.232 -0.122 18171 1347 1 4 . 1 1 52 52 LYS C C 52 179.002 179.002 178.939 0.063 18171 1348 1 4 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.194 -0.220 18171 1349 1 4 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.503 -0.448 18171 1350 1 4 . 1 1 52 52 LYS H H 52 7.760 7.760 7.478 0.282 18171 1351 1 4 . 1 1 53 53 ILE N N 53 117.988 117.988 119.556 -1.568 18171 1352 1 4 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.449 0.308 18171 1353 1 4 . 1 1 53 53 ILE C C 53 177.686 177.686 176.671 1.015 18171 1354 1 4 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.155 0.886 18171 1355 1 4 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.430 0.237 18171 1356 1 4 . 1 1 53 53 ILE H H 53 8.400 8.400 8.490 -0.090 18171 1357 1 4 . 1 1 54 54 SER N N 54 114.267 114.267 112.117 2.150 18171 1358 1 4 . 1 1 54 54 SER HA H 54 4.050 4.050 4.248 -0.199 18171 1359 1 4 . 1 1 54 54 SER C C 54 175.690 175.690 175.788 -0.098 18171 1360 1 4 . 1 1 54 54 SER CA C 54 61.417 61.417 60.657 0.760 18171 1361 1 4 . 1 1 54 54 SER CB C 54 62.922 62.922 63.896 -0.974 18171 1362 1 4 . 1 1 54 54 SER H H 54 8.042 8.042 7.654 0.388 18171 1363 1 4 . 1 1 55 55 GLN N N 55 118.045 118.045 119.239 -1.194 18171 1364 1 4 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.294 -0.154 18171 1365 1 4 . 1 1 55 55 GLN C C 55 177.193 177.193 178.102 -0.909 18171 1366 1 4 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.429 -0.347 18171 1367 1 4 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.344 -0.624 18171 1368 1 4 . 1 1 55 55 GLN H H 55 7.415 7.415 7.583 -0.168 18171 1369 1 4 . 1 1 56 56 LEU N N 56 118.492 118.492 119.766 -1.274 18171 1370 1 4 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.242 -0.209 18171 1371 1 4 . 1 1 56 56 LEU C C 56 176.578 176.578 176.008 0.570 18171 1372 1 4 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.025 -0.120 18171 1373 1 4 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.164 0.385 18171 1374 1 4 . 1 1 56 56 LEU H H 56 7.732 7.732 8.146 -0.414 18171 1375 1 4 . 1 1 57 57 PHE N N 57 116.774 116.774 117.124 -0.350 18171 1376 1 4 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.905 -0.013 18171 1377 1 4 . 1 1 57 57 PHE C C 57 173.125 173.125 173.827 -0.702 18171 1378 1 4 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.797 1.415 18171 1379 1 4 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.585 0.438 18171 1380 1 4 . 1 1 57 57 PHE H H 57 7.629 7.629 7.697 -0.068 18171 1381 1 4 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.603 -0.123 18171 1382 1 4 . 1 1 58 58 PRO C C 58 178.090 178.090 177.888 0.202 18171 1383 1 4 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.811 0.161 18171 1384 1 4 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.065 -1.138 18171 1385 1 4 . 1 1 59 59 GLY N N 59 108.335 108.335 110.909 -2.574 18171 1386 1 4 . 1 1 59 59 GLY C C 59 174.930 174.930 174.899 0.031 18171 1387 1 4 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.808 0.576 18171 1388 1 4 . 1 1 59 59 GLY H H 59 8.411 8.411 8.406 0.005 18171 1389 1 4 . 1 1 60 60 MET N N 60 119.206 119.206 117.137 2.069 18171 1390 1 4 . 1 1 60 60 MET HA H 60 4.467 4.467 4.156 0.311 18171 1391 1 4 . 1 1 60 60 MET C C 60 176.320 176.320 176.961 -0.641 18171 1392 1 4 . 1 1 60 60 MET CA C 60 56.395 56.395 55.622 0.773 18171 1393 1 4 . 1 1 60 60 MET CB C 60 32.964 32.964 31.584 1.380 18171 1394 1 4 . 1 1 60 60 MET H H 60 8.053 8.053 7.729 0.324 18171 1395 1 4 . 1 1 61 61 THR N N 61 111.041 111.041 116.308 -5.267 18171 1396 1 4 . 1 1 61 61 THR HA H 61 4.402 4.402 4.175 0.227 18171 1397 1 4 . 1 1 61 61 THR C C 61 173.976 173.976 175.360 -1.384 18171 1398 1 4 . 1 1 61 61 THR CA C 61 61.233 61.233 63.568 -2.335 18171 1399 1 4 . 1 1 61 61 THR CB C 61 70.120 70.120 69.091 1.029 18171 1400 1 4 . 1 1 61 61 THR H H 61 7.880 7.880 8.141 -0.261 18171 1401 1 5 . 1 1 2 2 GLU N N 2 115.081 115.081 121.624 -6.543 18171 1402 1 5 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.045 -0.185 18171 1403 1 5 . 1 1 2 2 GLU C C 2 179.259 179.259 178.697 0.562 18171 1404 1 5 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.563 0.797 18171 1405 1 5 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.721 -0.995 18171 1406 1 5 . 1 1 2 2 GLU H H 2 8.756 8.756 8.754 0.002 18171 1407 1 5 . 1 1 3 3 GLU N N 3 120.051 120.051 119.798 0.253 18171 1408 1 5 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.059 -0.043 18171 1409 1 5 . 1 1 3 3 GLU C C 3 178.863 178.863 178.757 0.106 18171 1410 1 5 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.639 -0.633 18171 1411 1 5 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.461 0.904 18171 1412 1 5 . 1 1 3 3 GLU H H 3 7.722 7.722 8.540 -0.818 18171 1413 1 5 . 1 1 4 4 VAL N N 4 120.223 120.223 118.457 1.766 18171 1414 1 5 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.732 -0.223 18171 1415 1 5 . 1 1 4 4 VAL C C 4 177.687 177.687 178.056 -0.369 18171 1416 1 5 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.752 0.915 18171 1417 1 5 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.417 0.124 18171 1418 1 5 . 1 1 4 4 VAL H H 4 7.815 7.815 7.904 -0.089 18171 1419 1 5 . 1 1 5 5 ILE N N 5 118.475 118.475 119.604 -1.129 18171 1420 1 5 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.667 -0.167 18171 1421 1 5 . 1 1 5 5 ILE C C 5 177.638 177.638 178.304 -0.666 18171 1422 1 5 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.446 -0.085 18171 1423 1 5 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.537 0.599 18171 1424 1 5 . 1 1 5 5 ILE H H 5 8.293 8.293 8.676 -0.383 18171 1425 1 5 . 1 1 6 6 SER N N 6 113.327 113.327 114.647 -1.320 18171 1426 1 5 . 1 1 6 6 SER HA H 6 4.034 4.034 4.282 -0.248 18171 1427 1 5 . 1 1 6 6 SER C C 6 176.398 176.398 176.401 -0.003 18171 1428 1 5 . 1 1 6 6 SER CA C 6 61.781 61.781 60.841 0.940 18171 1429 1 5 . 1 1 6 6 SER CB C 6 62.770 62.770 62.883 -0.113 18171 1430 1 5 . 1 1 6 6 SER H H 6 7.740 7.740 7.878 -0.138 18171 1431 1 5 . 1 1 7 7 LYS N N 7 119.755 119.755 122.573 -2.818 18171 1432 1 5 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.153 -0.010 18171 1433 1 5 . 1 1 7 7 LYS C C 7 179.622 179.622 178.721 0.901 18171 1434 1 5 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.216 -0.210 18171 1435 1 5 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.877 -0.135 18171 1436 1 5 . 1 1 7 7 LYS H H 7 7.523 7.523 7.878 -0.355 18171 1437 1 5 . 1 1 8 8 ILE N N 8 119.544 119.544 120.229 -0.685 18171 1438 1 5 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.705 -0.062 18171 1439 1 5 . 1 1 8 8 ILE C C 8 177.510 177.510 177.340 0.170 18171 1440 1 5 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.849 2.331 18171 1441 1 5 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.381 1.080 18171 1442 1 5 . 1 1 8 8 ILE H H 8 8.132 8.132 7.699 0.433 18171 1443 1 5 . 1 1 9 9 MET N N 9 114.616 114.616 116.744 -2.128 18171 1444 1 5 . 1 1 9 9 MET HA H 9 4.104 4.104 4.053 0.051 18171 1445 1 5 . 1 1 9 9 MET C C 9 177.018 177.018 176.911 0.107 18171 1446 1 5 . 1 1 9 9 MET CA C 9 56.601 56.601 57.589 -0.988 18171 1447 1 5 . 1 1 9 9 MET CB C 9 31.479 31.479 31.677 -0.198 18171 1448 1 5 . 1 1 9 9 MET H H 9 7.835 7.835 7.409 0.426 18171 1449 1 5 . 1 1 10 10 GLU N N 10 116.206 116.206 117.094 -0.888 18171 1450 1 5 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.069 0.083 18171 1451 1 5 . 1 1 10 10 GLU C C 10 176.263 176.263 177.123 -0.860 18171 1452 1 5 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.471 -0.388 18171 1453 1 5 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.872 0.138 18171 1454 1 5 . 1 1 10 10 GLU H H 10 7.318 7.318 7.674 -0.356 18171 1455 1 5 . 1 1 11 11 ASN N N 11 119.007 119.007 117.974 1.033 18171 1456 1 5 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.125 0.016 18171 1457 1 5 . 1 1 11 11 ASN C C 11 173.093 173.093 173.291 -0.198 18171 1458 1 5 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.643 0.066 18171 1459 1 5 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.288 0.812 18171 1460 1 5 . 1 1 11 11 ASN H H 11 7.707 7.707 7.871 -0.164 18171 1461 1 5 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.068 0.215 18171 1462 1 5 . 1 1 12 12 PRO C C 12 177.932 177.932 177.846 0.086 18171 1463 1 5 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.165 0.063 18171 1464 1 5 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.822 0.186 18171 1465 1 5 . 1 1 13 13 ASP N N 13 116.410 116.410 118.144 -1.734 18171 1466 1 5 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.407 0.018 18171 1467 1 5 . 1 1 13 13 ASP C C 13 178.456 178.456 178.215 0.241 18171 1468 1 5 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.292 -0.483 18171 1469 1 5 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.930 -0.991 18171 1470 1 5 . 1 1 13 13 ASP H H 13 8.218 8.218 8.190 0.028 18171 1471 1 5 . 1 1 14 14 VAL N N 14 120.053 120.053 120.316 -0.263 18171 1472 1 5 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.801 -0.019 18171 1473 1 5 . 1 1 14 14 VAL C C 14 177.045 177.045 177.533 -0.488 18171 1474 1 5 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.859 -1.509 18171 1475 1 5 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.471 0.290 18171 1476 1 5 . 1 1 14 14 VAL H H 14 7.722 7.722 8.158 -0.436 18171 1477 1 5 . 1 1 15 15 ALA N N 15 121.814 121.814 122.392 -0.578 18171 1478 1 5 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.782 0.140 18171 1479 1 5 . 1 1 15 15 ALA C C 15 180.315 180.315 179.271 1.044 18171 1480 1 5 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.132 0.522 18171 1481 1 5 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.165 0.012 18171 1482 1 5 . 1 1 15 15 ALA H H 15 8.245 8.245 7.544 0.701 18171 1483 1 5 . 1 1 16 16 MET N N 16 114.438 114.438 117.191 -2.753 18171 1484 1 5 . 1 1 16 16 MET HA H 16 4.234 4.234 4.289 -0.055 18171 1485 1 5 . 1 1 16 16 MET C C 16 178.930 178.930 178.581 0.349 18171 1486 1 5 . 1 1 16 16 MET CA C 16 58.011 58.011 58.171 -0.160 18171 1487 1 5 . 1 1 16 16 MET CB C 16 32.027 32.027 32.885 -0.858 18171 1488 1 5 . 1 1 16 16 MET H H 16 7.878 7.878 7.809 0.069 18171 1489 1 5 . 1 1 17 17 ALA N N 17 123.280 123.280 123.538 -0.258 18171 1490 1 5 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.186 -0.008 18171 1491 1 5 . 1 1 17 17 ALA C C 17 179.091 179.091 179.675 -0.584 18171 1492 1 5 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.945 -0.382 18171 1493 1 5 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.084 0.307 18171 1494 1 5 . 1 1 17 17 ALA H H 17 7.647 7.647 7.971 -0.324 18171 1495 1 5 . 1 1 18 18 PHE N N 18 114.808 114.808 116.335 -1.527 18171 1496 1 5 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.255 -0.137 18171 1497 1 5 . 1 1 18 18 PHE C C 18 175.169 175.169 176.363 -1.194 18171 1498 1 5 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.558 -1.124 18171 1499 1 5 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.741 0.302 18171 1500 1 5 . 1 1 18 18 PHE H H 18 8.032 8.032 8.646 -0.614 18171 1501 1 5 . 1 1 19 19 GLN N N 19 114.221 114.221 116.966 -2.745 18171 1502 1 5 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.333 -0.266 18171 1503 1 5 . 1 1 19 19 GLN C C 19 175.843 175.843 175.422 0.421 18171 1504 1 5 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.480 0.667 18171 1505 1 5 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.785 -0.165 18171 1506 1 5 . 1 1 19 19 GLN H H 19 7.414 7.414 7.539 -0.125 18171 1507 1 5 . 1 1 20 20 ASN N N 20 119.994 119.994 119.512 0.482 18171 1508 1 5 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.209 -0.326 18171 1509 1 5 . 1 1 20 20 ASN C C 20 174.726 174.726 174.022 0.704 18171 1510 1 5 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.023 0.578 18171 1511 1 5 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.130 0.127 18171 1512 1 5 . 1 1 20 20 ASN H H 20 7.497 7.497 7.861 -0.364 18171 1513 1 5 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.324 -0.135 18171 1514 1 5 . 1 1 21 21 PRO C C 21 178.747 178.747 178.544 0.203 18171 1515 1 5 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.624 -0.577 18171 1516 1 5 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.305 -0.184 18171 1517 1 5 . 1 1 22 22 ARG N N 22 117.899 117.899 118.169 -0.270 18171 1518 1 5 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.945 0.148 18171 1519 1 5 . 1 1 22 22 ARG C C 22 178.827 178.827 178.519 0.308 18171 1520 1 5 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.467 -0.481 18171 1521 1 5 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.575 0.856 18171 1522 1 5 . 1 1 22 22 ARG H H 22 8.066 8.066 8.366 -0.300 18171 1523 1 5 . 1 1 23 23 VAL N N 23 119.694 119.694 119.531 0.163 18171 1524 1 5 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.703 -0.319 18171 1525 1 5 . 1 1 23 23 VAL C C 23 177.319 177.319 177.775 -0.456 18171 1526 1 5 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.140 -0.392 18171 1527 1 5 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.162 0.359 18171 1528 1 5 . 1 1 23 23 VAL H H 23 7.199 7.199 7.523 -0.324 18171 1529 1 5 . 1 1 24 24 GLN N N 24 117.842 117.842 119.596 -1.754 18171 1530 1 5 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.748 -0.115 18171 1531 1 5 . 1 1 24 24 GLN C C 24 177.902 177.902 178.241 -0.339 18171 1532 1 5 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.974 0.695 18171 1533 1 5 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.297 -0.276 18171 1534 1 5 . 1 1 24 24 GLN H H 24 7.790 7.790 8.337 -0.547 18171 1535 1 5 . 1 1 25 25 ALA N N 25 119.267 119.267 120.956 -1.689 18171 1536 1 5 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.990 0.056 18171 1537 1 5 . 1 1 25 25 ALA C C 25 179.854 179.854 178.727 1.127 18171 1538 1 5 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.842 0.204 18171 1539 1 5 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.262 -0.438 18171 1540 1 5 . 1 1 25 25 ALA H H 25 7.808 7.808 8.315 -0.507 18171 1541 1 5 . 1 1 26 26 ALA N N 26 120.738 120.738 122.204 -1.466 18171 1542 1 5 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.762 0.159 18171 1543 1 5 . 1 1 26 26 ALA C C 26 179.988 179.988 179.891 0.097 18171 1544 1 5 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.610 0.589 18171 1545 1 5 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.028 0.143 18171 1546 1 5 . 1 1 26 26 ALA H H 26 7.500 7.500 7.369 0.131 18171 1547 1 5 . 1 1 27 27 LEU N N 27 118.511 118.511 119.597 -1.086 18171 1548 1 5 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.125 -0.212 18171 1549 1 5 . 1 1 27 27 LEU C C 27 179.923 179.923 178.808 1.115 18171 1550 1 5 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.127 -0.068 18171 1551 1 5 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.666 -0.738 18171 1552 1 5 . 1 1 27 27 LEU H H 27 8.324 8.324 8.429 -0.105 18171 1553 1 5 . 1 1 28 28 MET N N 28 118.681 118.681 118.833 -0.152 18171 1554 1 5 . 1 1 28 28 MET HA H 28 4.144 4.144 3.976 0.168 18171 1555 1 5 . 1 1 28 28 MET C C 28 179.635 179.635 178.365 1.270 18171 1556 1 5 . 1 1 28 28 MET CA C 28 58.734 58.734 59.191 -0.456 18171 1557 1 5 . 1 1 28 28 MET CB C 28 31.901 31.901 32.581 -0.680 18171 1558 1 5 . 1 1 28 28 MET H H 28 8.127 8.127 8.241 -0.114 18171 1559 1 5 . 1 1 29 29 GLU N N 29 119.813 119.813 118.230 1.583 18171 1560 1 5 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.217 0.009 18171 1561 1 5 . 1 1 29 29 GLU C C 29 180.544 180.544 179.239 1.305 18171 1562 1 5 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.747 0.949 18171 1563 1 5 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.590 0.087 18171 1564 1 5 . 1 1 29 29 GLU H H 29 8.302 8.302 8.321 -0.019 18171 1565 1 5 . 1 1 30 30 CYS N N 30 118.465 118.465 119.701 -1.236 18171 1566 1 5 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.523 -0.070 18171 1567 1 5 . 1 1 30 30 CYS C C 30 175.357 175.357 176.122 -0.765 18171 1568 1 5 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.966 0.516 18171 1569 1 5 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.117 -0.327 18171 1570 1 5 . 1 1 30 30 CYS H H 30 8.465 8.465 8.204 0.261 18171 1571 1 5 . 1 1 31 31 SER N N 31 114.366 114.366 114.167 0.199 18171 1572 1 5 . 1 1 31 31 SER HA H 31 4.174 4.174 4.250 -0.076 18171 1573 1 5 . 1 1 31 31 SER C C 31 175.371 175.371 176.272 -0.901 18171 1574 1 5 . 1 1 31 31 SER CA C 31 60.932 60.932 61.486 -0.554 18171 1575 1 5 . 1 1 31 31 SER CB C 31 62.749 62.749 63.039 -0.290 18171 1576 1 5 . 1 1 31 31 SER H H 31 7.859 7.859 7.828 0.031 18171 1577 1 5 . 1 1 32 32 GLU N N 32 119.996 119.996 119.773 0.223 18171 1578 1 5 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.282 -0.078 18171 1579 1 5 . 1 1 32 32 GLU C C 32 176.983 176.983 176.670 0.313 18171 1580 1 5 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.823 0.149 18171 1581 1 5 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.528 -0.451 18171 1582 1 5 . 1 1 32 32 GLU H H 32 7.254 7.254 7.942 -0.688 18171 1583 1 5 . 1 1 33 33 ASN N N 33 113.026 113.026 113.494 -0.468 18171 1584 1 5 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.961 0.012 18171 1585 1 5 . 1 1 33 33 ASN C C 33 173.504 173.504 173.226 0.278 18171 1586 1 5 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.534 -1.798 18171 1587 1 5 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.910 0.575 18171 1588 1 5 . 1 1 33 33 ASN H H 33 7.370 7.370 7.628 -0.258 18171 1589 1 5 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.394 0.180 18171 1590 1 5 . 1 1 34 34 PRO C C 34 178.270 178.270 177.550 0.720 18171 1591 1 5 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.925 -0.098 18171 1592 1 5 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.075 -0.321 18171 1593 1 5 . 1 1 35 35 MET N N 35 115.258 115.258 113.840 1.418 18171 1594 1 5 . 1 1 35 35 MET HA H 35 4.330 4.330 4.189 0.141 18171 1595 1 5 . 1 1 35 35 MET C C 35 178.569 178.569 176.647 1.922 18171 1596 1 5 . 1 1 35 35 MET CA C 35 57.050 57.050 57.768 -0.718 18171 1597 1 5 . 1 1 35 35 MET CB C 35 31.300 31.300 31.314 -0.014 18171 1598 1 5 . 1 1 35 35 MET H H 35 7.962 7.962 8.101 -0.139 18171 1599 1 5 . 1 1 36 36 ASN N N 36 117.357 117.357 116.945 0.412 18171 1600 1 5 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.428 0.145 18171 1601 1 5 . 1 1 36 36 ASN C C 36 176.470 176.470 177.006 -0.536 18171 1602 1 5 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.690 -0.564 18171 1603 1 5 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.268 0.174 18171 1604 1 5 . 1 1 36 36 ASN H H 36 8.462 8.462 8.048 0.414 18171 1605 1 5 . 1 1 37 37 ILE N N 37 121.622 121.622 121.116 0.506 18171 1606 1 5 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.805 0.305 18171 1607 1 5 . 1 1 37 37 ILE C C 37 177.331 177.331 176.467 0.864 18171 1608 1 5 . 1 1 37 37 ILE CA C 37 62.588 62.588 61.649 0.939 18171 1609 1 5 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.805 0.210 18171 1610 1 5 . 1 1 37 37 ILE H H 37 7.820 7.820 7.276 0.544 18171 1611 1 5 . 1 1 38 38 MET N N 38 118.071 118.071 116.961 1.110 18171 1612 1 5 . 1 1 38 38 MET HA H 38 4.174 4.174 4.467 -0.293 18171 1613 1 5 . 1 1 38 38 MET C C 38 178.456 178.456 175.470 2.986 18171 1614 1 5 . 1 1 38 38 MET CA C 38 57.563 57.563 55.593 1.970 18171 1615 1 5 . 1 1 38 38 MET CB C 38 31.533 31.533 30.301 1.232 18171 1616 1 5 . 1 1 38 38 MET H H 38 7.479 7.479 7.630 -0.151 18171 1617 1 5 . 1 1 39 39 LYS N N 39 117.427 117.427 116.280 1.147 18171 1618 1 5 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.226 -0.279 18171 1619 1 5 . 1 1 39 39 LYS C C 39 177.456 177.456 177.504 -0.048 18171 1620 1 5 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.337 1.675 18171 1621 1 5 . 1 1 39 39 LYS CB C 39 31.773 31.773 32.902 -1.129 18171 1622 1 5 . 1 1 39 39 LYS H H 39 7.580 7.580 7.119 0.461 18171 1623 1 5 . 1 1 40 40 TYR N N 40 116.049 116.049 120.874 -4.825 18171 1624 1 5 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.757 -0.227 18171 1625 1 5 . 1 1 40 40 TYR C C 40 175.635 175.635 178.138 -2.503 18171 1626 1 5 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.473 -0.075 18171 1627 1 5 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.011 2.479 18171 1628 1 5 . 1 1 40 40 TYR H H 40 7.651 7.651 7.257 0.394 18171 1629 1 5 . 1 1 41 41 GLN N N 41 116.626 116.626 118.606 -1.980 18171 1630 1 5 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.978 0.355 18171 1631 1 5 . 1 1 41 41 GLN C C 41 175.887 175.887 176.550 -0.663 18171 1632 1 5 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.711 -0.125 18171 1633 1 5 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.316 0.731 18171 1634 1 5 . 1 1 41 41 GLN H H 41 7.001 7.001 7.711 -0.710 18171 1635 1 5 . 1 1 42 42 ASN N N 42 114.491 114.491 113.241 1.250 18171 1636 1 5 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.630 0.232 18171 1637 1 5 . 1 1 42 42 ASN C C 42 173.784 173.784 175.370 -1.586 18171 1638 1 5 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.061 -0.529 18171 1639 1 5 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.813 -0.225 18171 1640 1 5 . 1 1 42 42 ASN H H 42 8.281 8.281 7.496 0.785 18171 1641 1 5 . 1 1 43 43 ASP N N 43 122.981 122.981 122.596 0.385 18171 1642 1 5 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.646 0.109 18171 1643 1 5 . 1 1 43 43 ASP C C 43 174.773 174.773 176.295 -1.522 18171 1644 1 5 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.517 -0.910 18171 1645 1 5 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.946 0.423 18171 1646 1 5 . 1 1 43 43 ASP H H 43 7.960 7.960 8.135 -0.175 18171 1647 1 5 . 1 1 44 44 LYS N N 44 125.893 125.893 128.128 -2.235 18171 1648 1 5 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.885 -0.025 18171 1649 1 5 . 1 1 44 44 LYS C C 44 177.796 177.796 178.194 -0.398 18171 1650 1 5 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.296 0.500 18171 1651 1 5 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.522 0.014 18171 1652 1 5 . 1 1 44 44 LYS H H 44 8.361 8.361 8.120 0.241 18171 1653 1 5 . 1 1 45 45 GLU N N 45 116.698 116.698 118.256 -1.558 18171 1654 1 5 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.153 -0.086 18171 1655 1 5 . 1 1 45 45 GLU C C 45 178.724 178.724 178.727 -0.003 18171 1656 1 5 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.339 0.116 18171 1657 1 5 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.455 0.302 18171 1658 1 5 . 1 1 45 45 GLU H H 45 8.127 8.127 8.126 0.001 18171 1659 1 5 . 1 1 46 46 VAL N N 46 117.476 117.476 119.692 -2.216 18171 1660 1 5 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.752 -0.338 18171 1661 1 5 . 1 1 46 46 VAL C C 46 177.879 177.879 178.161 -0.282 18171 1662 1 5 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.759 0.671 18171 1663 1 5 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.192 0.836 18171 1664 1 5 . 1 1 46 46 VAL H H 46 7.452 7.452 7.581 -0.129 18171 1665 1 5 . 1 1 47 47 MET N N 47 117.027 117.027 120.197 -3.170 18171 1666 1 5 . 1 1 47 47 MET HA H 47 4.479 4.479 4.035 0.444 18171 1667 1 5 . 1 1 47 47 MET C C 47 179.307 179.307 178.273 1.034 18171 1668 1 5 . 1 1 47 47 MET CA C 47 56.809 56.809 60.244 -3.435 18171 1669 1 5 . 1 1 47 47 MET CB C 47 30.371 30.371 32.129 -1.758 18171 1670 1 5 . 1 1 47 47 MET H H 47 8.542 8.542 8.343 0.199 18171 1671 1 5 . 1 1 48 48 ASP N N 48 119.811 119.811 119.378 0.433 18171 1672 1 5 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.409 0.083 18171 1673 1 5 . 1 1 48 48 ASP C C 48 179.136 179.136 179.075 0.061 18171 1674 1 5 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.808 -0.237 18171 1675 1 5 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.873 -0.420 18171 1676 1 5 . 1 1 48 48 ASP H H 48 8.580 8.580 7.856 0.724 18171 1677 1 5 . 1 1 49 49 VAL N N 49 118.816 118.816 119.587 -0.771 18171 1678 1 5 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.774 -0.136 18171 1679 1 5 . 1 1 49 49 VAL C C 49 177.777 177.777 177.845 -0.068 18171 1680 1 5 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.509 -0.052 18171 1681 1 5 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.783 -0.717 18171 1682 1 5 . 1 1 49 49 VAL H H 49 7.319 7.319 7.522 -0.203 18171 1683 1 5 . 1 1 50 50 PHE N N 50 120.305 120.305 119.757 0.548 18171 1684 1 5 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.217 -0.081 18171 1685 1 5 . 1 1 50 50 PHE C C 50 178.505 178.505 178.156 0.349 18171 1686 1 5 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.669 -1.129 18171 1687 1 5 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.673 -0.364 18171 1688 1 5 . 1 1 50 50 PHE H H 50 8.529 8.529 9.178 -0.649 18171 1689 1 5 . 1 1 51 51 ASN N N 51 117.888 117.888 117.108 0.780 18171 1690 1 5 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.486 -0.071 18171 1691 1 5 . 1 1 51 51 ASN C C 51 177.863 177.863 176.970 0.893 18171 1692 1 5 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.997 0.171 18171 1693 1 5 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.643 -0.334 18171 1694 1 5 . 1 1 51 51 ASN H H 51 8.886 8.886 8.701 0.185 18171 1695 1 5 . 1 1 52 52 LYS N N 52 120.120 120.120 121.929 -1.809 18171 1696 1 5 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.064 0.046 18171 1697 1 5 . 1 1 52 52 LYS C C 52 179.002 179.002 178.253 0.749 18171 1698 1 5 . 1 1 52 52 LYS CA C 52 58.974 58.974 58.974 -0.000 18171 1699 1 5 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.400 -0.345 18171 1700 1 5 . 1 1 52 52 LYS H H 52 7.760 7.760 7.128 0.631 18171 1701 1 5 . 1 1 53 53 ILE N N 53 117.988 117.988 119.705 -1.717 18171 1702 1 5 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.498 0.259 18171 1703 1 5 . 1 1 53 53 ILE C C 53 177.686 177.686 177.720 -0.034 18171 1704 1 5 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.709 0.332 18171 1705 1 5 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.743 -0.076 18171 1706 1 5 . 1 1 53 53 ILE H H 53 8.400 8.400 8.565 -0.165 18171 1707 1 5 . 1 1 54 54 SER N N 54 114.267 114.267 113.118 1.149 18171 1708 1 5 . 1 1 54 54 SER HA H 54 4.050 4.050 4.252 -0.202 18171 1709 1 5 . 1 1 54 54 SER C C 54 175.690 175.690 176.329 -0.639 18171 1710 1 5 . 1 1 54 54 SER CA C 54 61.417 61.417 60.493 0.923 18171 1711 1 5 . 1 1 54 54 SER CB C 54 62.922 62.922 63.241 -0.319 18171 1712 1 5 . 1 1 54 54 SER H H 54 8.042 8.042 7.622 0.420 18171 1713 1 5 . 1 1 55 55 GLN N N 55 118.045 118.045 120.105 -2.060 18171 1714 1 5 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.084 0.056 18171 1715 1 5 . 1 1 55 55 GLN C C 55 177.193 177.193 177.751 -0.558 18171 1716 1 5 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.007 -0.925 18171 1717 1 5 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.927 -0.207 18171 1718 1 5 . 1 1 55 55 GLN H H 55 7.415 7.415 7.406 0.009 18171 1719 1 5 . 1 1 56 56 LEU N N 56 118.492 118.492 117.667 0.825 18171 1720 1 5 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.174 -0.141 18171 1721 1 5 . 1 1 56 56 LEU C C 56 176.578 176.578 176.713 -0.135 18171 1722 1 5 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.189 -0.284 18171 1723 1 5 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.484 0.065 18171 1724 1 5 . 1 1 56 56 LEU H H 56 7.732 7.732 7.825 -0.093 18171 1725 1 5 . 1 1 57 57 PHE N N 57 116.774 116.774 114.412 2.362 18171 1726 1 5 . 1 1 57 57 PHE HA H 57 4.892 4.892 5.021 -0.129 18171 1727 1 5 . 1 1 57 57 PHE C C 57 173.125 173.125 174.065 -0.940 18171 1728 1 5 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.360 1.851 18171 1729 1 5 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.853 1.170 18171 1730 1 5 . 1 1 57 57 PHE H H 57 7.629 7.629 7.228 0.401 18171 1731 1 5 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.464 0.016 18171 1732 1 5 . 1 1 58 58 PRO C C 58 178.090 178.090 177.105 0.985 18171 1733 1 5 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.022 -0.050 18171 1734 1 5 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.166 -0.239 18171 1735 1 5 . 1 1 59 59 GLY N N 59 108.335 108.335 105.889 2.446 18171 1736 1 5 . 1 1 59 59 GLY C C 59 174.930 174.930 173.520 1.410 18171 1737 1 5 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.102 0.282 18171 1738 1 5 . 1 1 59 59 GLY H H 59 8.411 8.411 7.717 0.694 18171 1739 1 5 . 1 1 60 60 MET N N 60 119.206 119.206 118.582 0.624 18171 1740 1 5 . 1 1 60 60 MET HA H 60 4.467 4.467 4.072 0.395 18171 1741 1 5 . 1 1 60 60 MET C C 60 176.320 176.320 175.316 1.004 18171 1742 1 5 . 1 1 60 60 MET CA C 60 56.395 56.395 55.542 0.853 18171 1743 1 5 . 1 1 60 60 MET CB C 60 32.964 32.964 30.211 2.753 18171 1744 1 5 . 1 1 60 60 MET H H 60 8.053 8.053 7.911 0.142 18171 1745 1 5 . 1 1 61 61 THR N N 61 111.041 111.041 110.748 0.293 18171 1746 1 5 . 1 1 61 61 THR HA H 61 4.402 4.402 4.112 0.290 18171 1747 1 5 . 1 1 61 61 THR C C 61 173.976 173.976 175.372 -1.396 18171 1748 1 5 . 1 1 61 61 THR CA C 61 61.233 61.233 62.565 -1.332 18171 1749 1 5 . 1 1 61 61 THR CB C 61 70.120 70.120 68.518 1.602 18171 1750 1 5 . 1 1 61 61 THR H H 61 7.880 7.880 8.219 -0.339 18171 1751 1 6 . 1 1 2 2 GLU N N 2 115.081 115.081 121.027 -5.946 18171 1752 1 6 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.025 -0.165 18171 1753 1 6 . 1 1 2 2 GLU C C 2 179.259 179.259 178.283 0.976 18171 1754 1 6 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.516 0.844 18171 1755 1 6 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.267 -0.541 18171 1756 1 6 . 1 1 2 2 GLU H H 2 8.756 8.756 9.037 -0.281 18171 1757 1 6 . 1 1 3 3 GLU N N 3 120.051 120.051 119.325 0.726 18171 1758 1 6 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.059 -0.043 18171 1759 1 6 . 1 1 3 3 GLU C C 3 178.863 178.863 179.091 -0.228 18171 1760 1 6 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.158 -0.152 18171 1761 1 6 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.197 1.168 18171 1762 1 6 . 1 1 3 3 GLU H H 3 7.722 7.722 8.407 -0.685 18171 1763 1 6 . 1 1 4 4 VAL N N 4 120.223 120.223 120.579 -0.356 18171 1764 1 6 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.738 -0.229 18171 1765 1 6 . 1 1 4 4 VAL C C 4 177.687 177.687 177.225 0.462 18171 1766 1 6 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.201 1.466 18171 1767 1 6 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.734 -0.193 18171 1768 1 6 . 1 1 4 4 VAL H H 4 7.815 7.815 7.819 -0.004 18171 1769 1 6 . 1 1 5 5 ILE N N 5 118.475 118.475 118.742 -0.267 18171 1770 1 6 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.568 -0.068 18171 1771 1 6 . 1 1 5 5 ILE C C 5 177.638 177.638 177.975 -0.337 18171 1772 1 6 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.245 -0.884 18171 1773 1 6 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.351 -0.215 18171 1774 1 6 . 1 1 5 5 ILE H H 5 8.293 8.293 8.107 0.186 18171 1775 1 6 . 1 1 6 6 SER N N 6 113.327 113.327 114.487 -1.160 18171 1776 1 6 . 1 1 6 6 SER HA H 6 4.034 4.034 4.203 -0.169 18171 1777 1 6 . 1 1 6 6 SER C C 6 176.398 176.398 176.269 0.129 18171 1778 1 6 . 1 1 6 6 SER CA C 6 61.781 61.781 61.425 0.356 18171 1779 1 6 . 1 1 6 6 SER CB C 6 62.770 62.770 63.056 -0.286 18171 1780 1 6 . 1 1 6 6 SER H H 6 7.740 7.740 7.958 -0.218 18171 1781 1 6 . 1 1 7 7 LYS N N 7 119.755 119.755 121.715 -1.960 18171 1782 1 6 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.118 0.025 18171 1783 1 6 . 1 1 7 7 LYS C C 7 179.622 179.622 178.668 0.954 18171 1784 1 6 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.535 -0.529 18171 1785 1 6 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.517 0.225 18171 1786 1 6 . 1 1 7 7 LYS H H 7 7.523 7.523 7.611 -0.088 18171 1787 1 6 . 1 1 8 8 ILE N N 8 119.544 119.544 120.569 -1.025 18171 1788 1 6 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.723 -0.080 18171 1789 1 6 . 1 1 8 8 ILE C C 8 177.510 177.510 177.216 0.294 18171 1790 1 6 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.151 2.029 18171 1791 1 6 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.312 1.149 18171 1792 1 6 . 1 1 8 8 ILE H H 8 8.132 8.132 7.620 0.512 18171 1793 1 6 . 1 1 9 9 MET N N 9 114.616 114.616 117.802 -3.186 18171 1794 1 6 . 1 1 9 9 MET HA H 9 4.104 4.104 4.183 -0.079 18171 1795 1 6 . 1 1 9 9 MET C C 9 177.018 177.018 177.336 -0.318 18171 1796 1 6 . 1 1 9 9 MET CA C 9 56.601 56.601 56.628 -0.027 18171 1797 1 6 . 1 1 9 9 MET CB C 9 31.479 31.479 31.025 0.454 18171 1798 1 6 . 1 1 9 9 MET H H 9 7.835 7.835 7.739 0.096 18171 1799 1 6 . 1 1 10 10 GLU N N 10 116.206 116.206 118.885 -2.679 18171 1800 1 6 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.130 0.022 18171 1801 1 6 . 1 1 10 10 GLU C C 10 176.263 176.263 176.948 -0.685 18171 1802 1 6 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.428 -0.345 18171 1803 1 6 . 1 1 10 10 GLU CB C 10 30.010 30.010 30.125 -0.115 18171 1804 1 6 . 1 1 10 10 GLU H H 10 7.318 7.318 7.936 -0.618 18171 1805 1 6 . 1 1 11 11 ASN N N 11 119.007 119.007 118.399 0.608 18171 1806 1 6 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.165 -0.024 18171 1807 1 6 . 1 1 11 11 ASN C C 11 173.093 173.093 173.210 -0.117 18171 1808 1 6 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.719 -0.010 18171 1809 1 6 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.515 1.585 18171 1810 1 6 . 1 1 11 11 ASN H H 11 7.707 7.707 7.936 -0.229 18171 1811 1 6 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.121 0.162 18171 1812 1 6 . 1 1 12 12 PRO C C 12 177.932 177.932 177.398 0.534 18171 1813 1 6 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.323 -0.095 18171 1814 1 6 . 1 1 12 12 PRO CB C 12 32.008 32.008 32.041 -0.033 18171 1815 1 6 . 1 1 13 13 ASP N N 13 116.410 116.410 117.439 -1.029 18171 1816 1 6 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.492 -0.067 18171 1817 1 6 . 1 1 13 13 ASP C C 13 178.456 178.456 178.548 -0.092 18171 1818 1 6 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.126 -0.317 18171 1819 1 6 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.839 -0.900 18171 1820 1 6 . 1 1 13 13 ASP H H 13 8.218 8.218 8.522 -0.304 18171 1821 1 6 . 1 1 14 14 VAL N N 14 120.053 120.053 120.413 -0.360 18171 1822 1 6 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.780 0.002 18171 1823 1 6 . 1 1 14 14 VAL C C 14 177.045 177.045 177.467 -0.422 18171 1824 1 6 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.449 -1.099 18171 1825 1 6 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.724 0.037 18171 1826 1 6 . 1 1 14 14 VAL H H 14 7.722 7.722 8.207 -0.485 18171 1827 1 6 . 1 1 15 15 ALA N N 15 121.814 121.814 122.843 -1.029 18171 1828 1 6 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.779 0.143 18171 1829 1 6 . 1 1 15 15 ALA C C 15 180.315 180.315 179.339 0.976 18171 1830 1 6 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.180 0.474 18171 1831 1 6 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.270 -0.093 18171 1832 1 6 . 1 1 15 15 ALA H H 15 8.245 8.245 7.503 0.742 18171 1833 1 6 . 1 1 16 16 MET N N 16 114.438 114.438 116.562 -2.124 18171 1834 1 6 . 1 1 16 16 MET HA H 16 4.234 4.234 4.349 -0.115 18171 1835 1 6 . 1 1 16 16 MET C C 16 178.930 178.930 178.910 0.020 18171 1836 1 6 . 1 1 16 16 MET CA C 16 58.011 58.011 56.743 1.268 18171 1837 1 6 . 1 1 16 16 MET CB C 16 32.027 32.027 32.187 -0.160 18171 1838 1 6 . 1 1 16 16 MET H H 16 7.878 7.878 7.838 0.040 18171 1839 1 6 . 1 1 17 17 ALA N N 17 123.280 123.280 123.628 -0.348 18171 1840 1 6 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.226 -0.048 18171 1841 1 6 . 1 1 17 17 ALA C C 17 179.091 179.091 179.876 -0.785 18171 1842 1 6 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.976 -0.413 18171 1843 1 6 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.083 0.308 18171 1844 1 6 . 1 1 17 17 ALA H H 17 7.647 7.647 7.881 -0.234 18171 1845 1 6 . 1 1 18 18 PHE N N 18 114.808 114.808 115.922 -1.114 18171 1846 1 6 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.305 -0.187 18171 1847 1 6 . 1 1 18 18 PHE C C 18 175.169 175.169 176.654 -1.485 18171 1848 1 6 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.208 -0.774 18171 1849 1 6 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.617 0.426 18171 1850 1 6 . 1 1 18 18 PHE H H 18 8.032 8.032 8.740 -0.708 18171 1851 1 6 . 1 1 19 19 GLN N N 19 114.221 114.221 116.462 -2.241 18171 1852 1 6 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.353 -0.286 18171 1853 1 6 . 1 1 19 19 GLN C C 19 175.843 175.843 175.743 0.100 18171 1854 1 6 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.315 0.832 18171 1855 1 6 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.648 -0.028 18171 1856 1 6 . 1 1 19 19 GLN H H 19 7.414 7.414 7.559 -0.145 18171 1857 1 6 . 1 1 20 20 ASN N N 20 119.994 119.994 119.719 0.275 18171 1858 1 6 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.163 -0.280 18171 1859 1 6 . 1 1 20 20 ASN C C 20 174.726 174.726 174.423 0.303 18171 1860 1 6 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.638 -0.037 18171 1861 1 6 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.633 -1.376 18171 1862 1 6 . 1 1 20 20 ASN H H 20 7.497 7.497 7.910 -0.413 18171 1863 1 6 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.646 -0.457 18171 1864 1 6 . 1 1 21 21 PRO C C 21 178.747 178.747 178.740 0.007 18171 1865 1 6 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.286 -0.240 18171 1866 1 6 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.535 -0.414 18171 1867 1 6 . 1 1 22 22 ARG N N 22 117.899 117.899 118.432 -0.533 18171 1868 1 6 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.084 0.009 18171 1869 1 6 . 1 1 22 22 ARG C C 22 178.827 178.827 178.512 0.315 18171 1870 1 6 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.320 -0.334 18171 1871 1 6 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.332 1.099 18171 1872 1 6 . 1 1 22 22 ARG H H 22 8.066 8.066 8.494 -0.428 18171 1873 1 6 . 1 1 23 23 VAL N N 23 119.694 119.694 120.176 -0.482 18171 1874 1 6 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.455 -0.071 18171 1875 1 6 . 1 1 23 23 VAL C C 23 177.319 177.319 177.413 -0.094 18171 1876 1 6 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.391 -0.643 18171 1877 1 6 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.548 -0.027 18171 1878 1 6 . 1 1 23 23 VAL H H 23 7.199 7.199 7.596 -0.397 18171 1879 1 6 . 1 1 24 24 GLN N N 24 117.842 117.842 118.878 -1.036 18171 1880 1 6 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.703 -0.070 18171 1881 1 6 . 1 1 24 24 GLN C C 24 177.902 177.902 178.414 -0.512 18171 1882 1 6 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.213 0.456 18171 1883 1 6 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.343 -0.323 18171 1884 1 6 . 1 1 24 24 GLN H H 24 7.790 7.790 7.981 -0.191 18171 1885 1 6 . 1 1 25 25 ALA N N 25 119.267 119.267 121.100 -1.833 18171 1886 1 6 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.108 -0.062 18171 1887 1 6 . 1 1 25 25 ALA C C 25 179.854 179.854 179.153 0.701 18171 1888 1 6 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.464 0.582 18171 1889 1 6 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.026 -0.202 18171 1890 1 6 . 1 1 25 25 ALA H H 25 7.808 7.808 8.055 -0.247 18171 1891 1 6 . 1 1 26 26 ALA N N 26 120.738 120.738 122.541 -1.803 18171 1892 1 6 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.723 0.198 18171 1893 1 6 . 1 1 26 26 ALA C C 26 179.988 179.988 179.462 0.526 18171 1894 1 6 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.253 0.946 18171 1895 1 6 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.066 0.105 18171 1896 1 6 . 1 1 26 26 ALA H H 26 7.500 7.500 7.436 0.064 18171 1897 1 6 . 1 1 27 27 LEU N N 27 118.511 118.511 119.057 -0.546 18171 1898 1 6 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.065 -0.152 18171 1899 1 6 . 1 1 27 27 LEU C C 27 179.923 179.923 179.102 0.821 18171 1900 1 6 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.214 -0.155 18171 1901 1 6 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.718 -0.790 18171 1902 1 6 . 1 1 27 27 LEU H H 27 8.324 8.324 8.467 -0.143 18171 1903 1 6 . 1 1 28 28 MET N N 28 118.681 118.681 117.715 0.966 18171 1904 1 6 . 1 1 28 28 MET HA H 28 4.144 4.144 4.043 0.101 18171 1905 1 6 . 1 1 28 28 MET C C 28 179.635 179.635 178.789 0.846 18171 1906 1 6 . 1 1 28 28 MET CA C 28 58.734 58.734 58.001 0.733 18171 1907 1 6 . 1 1 28 28 MET CB C 28 31.901 31.901 32.249 -0.348 18171 1908 1 6 . 1 1 28 28 MET H H 28 8.127 8.127 8.073 0.054 18171 1909 1 6 . 1 1 29 29 GLU N N 29 119.813 119.813 119.372 0.441 18171 1910 1 6 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.124 0.102 18171 1911 1 6 . 1 1 29 29 GLU C C 29 180.544 180.544 178.873 1.671 18171 1912 1 6 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.734 0.962 18171 1913 1 6 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.506 0.171 18171 1914 1 6 . 1 1 29 29 GLU H H 29 8.302 8.302 8.226 0.076 18171 1915 1 6 . 1 1 30 30 CYS N N 30 118.465 118.465 118.210 0.255 18171 1916 1 6 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.142 0.311 18171 1917 1 6 . 1 1 30 30 CYS C C 30 175.357 175.357 175.678 -0.321 18171 1918 1 6 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.053 0.429 18171 1919 1 6 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.088 -0.298 18171 1920 1 6 . 1 1 30 30 CYS H H 30 8.465 8.465 7.935 0.530 18171 1921 1 6 . 1 1 31 31 SER N N 31 114.366 114.366 113.895 0.471 18171 1922 1 6 . 1 1 31 31 SER HA H 31 4.174 4.174 4.228 -0.054 18171 1923 1 6 . 1 1 31 31 SER C C 31 175.371 175.371 176.204 -0.833 18171 1924 1 6 . 1 1 31 31 SER CA C 31 60.932 60.932 61.004 -0.072 18171 1925 1 6 . 1 1 31 31 SER CB C 31 62.749 62.749 63.069 -0.320 18171 1926 1 6 . 1 1 31 31 SER H H 31 7.859 7.859 7.716 0.143 18171 1927 1 6 . 1 1 32 32 GLU N N 32 119.996 119.996 119.946 0.050 18171 1928 1 6 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.250 -0.046 18171 1929 1 6 . 1 1 32 32 GLU C C 32 176.983 176.983 176.562 0.421 18171 1930 1 6 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.127 -0.155 18171 1931 1 6 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.381 -0.304 18171 1932 1 6 . 1 1 32 32 GLU H H 32 7.254 7.254 8.161 -0.907 18171 1933 1 6 . 1 1 33 33 ASN N N 33 113.026 113.026 112.491 0.535 18171 1934 1 6 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.873 0.100 18171 1935 1 6 . 1 1 33 33 ASN C C 33 173.504 173.504 173.086 0.418 18171 1936 1 6 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.060 -1.325 18171 1937 1 6 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.805 2.680 18171 1938 1 6 . 1 1 33 33 ASN H H 33 7.370 7.370 7.642 -0.272 18171 1939 1 6 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.241 0.333 18171 1940 1 6 . 1 1 34 34 PRO C C 34 178.270 178.270 177.539 0.731 18171 1941 1 6 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.922 -0.095 18171 1942 1 6 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.852 -0.098 18171 1943 1 6 . 1 1 35 35 MET N N 35 115.258 115.258 113.418 1.840 18171 1944 1 6 . 1 1 35 35 MET HA H 35 4.330 4.330 4.204 0.126 18171 1945 1 6 . 1 1 35 35 MET C C 35 178.569 178.569 177.043 1.526 18171 1946 1 6 . 1 1 35 35 MET CA C 35 57.050 57.050 57.332 -0.282 18171 1947 1 6 . 1 1 35 35 MET CB C 35 31.300 31.300 31.272 0.028 18171 1948 1 6 . 1 1 35 35 MET H H 35 7.962 7.962 7.990 -0.028 18171 1949 1 6 . 1 1 36 36 ASN N N 36 117.357 117.357 119.065 -1.708 18171 1950 1 6 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.655 -0.082 18171 1951 1 6 . 1 1 36 36 ASN C C 36 176.470 176.470 177.855 -1.385 18171 1952 1 6 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.151 -1.024 18171 1953 1 6 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.854 -0.412 18171 1954 1 6 . 1 1 36 36 ASN H H 36 8.462 8.462 7.966 0.496 18171 1955 1 6 . 1 1 37 37 ILE N N 37 121.622 121.622 121.938 -0.316 18171 1956 1 6 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.761 0.349 18171 1957 1 6 . 1 1 37 37 ILE C C 37 177.331 177.331 177.109 0.222 18171 1958 1 6 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.238 -0.650 18171 1959 1 6 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.942 0.073 18171 1960 1 6 . 1 1 37 37 ILE H H 37 7.820 7.820 7.807 0.013 18171 1961 1 6 . 1 1 38 38 MET N N 38 118.071 118.071 117.282 0.789 18171 1962 1 6 . 1 1 38 38 MET HA H 38 4.174 4.174 4.067 0.107 18171 1963 1 6 . 1 1 38 38 MET C C 38 178.456 178.456 177.419 1.037 18171 1964 1 6 . 1 1 38 38 MET CA C 38 57.563 57.563 58.344 -0.781 18171 1965 1 6 . 1 1 38 38 MET CB C 38 31.533 31.533 32.347 -0.814 18171 1966 1 6 . 1 1 38 38 MET H H 38 7.479 7.479 7.647 -0.168 18171 1967 1 6 . 1 1 39 39 LYS N N 39 117.427 117.427 117.740 -0.313 18171 1968 1 6 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.238 -0.291 18171 1969 1 6 . 1 1 39 39 LYS C C 39 177.456 177.456 178.625 -1.169 18171 1970 1 6 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.202 -0.190 18171 1971 1 6 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.654 -1.881 18171 1972 1 6 . 1 1 39 39 LYS H H 39 7.580 7.580 8.087 -0.507 18171 1973 1 6 . 1 1 40 40 TYR N N 40 116.049 116.049 119.416 -3.367 18171 1974 1 6 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.294 0.236 18171 1975 1 6 . 1 1 40 40 TYR C C 40 175.635 175.635 177.892 -2.257 18171 1976 1 6 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.529 -1.131 18171 1977 1 6 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.132 2.358 18171 1978 1 6 . 1 1 40 40 TYR H H 40 7.651 7.651 7.836 -0.185 18171 1979 1 6 . 1 1 41 41 GLN N N 41 116.626 116.626 119.646 -3.020 18171 1980 1 6 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.038 0.295 18171 1981 1 6 . 1 1 41 41 GLN C C 41 175.887 175.887 176.309 -0.422 18171 1982 1 6 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.561 0.025 18171 1983 1 6 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.696 1.351 18171 1984 1 6 . 1 1 41 41 GLN H H 41 7.001 7.001 7.865 -0.864 18171 1985 1 6 . 1 1 42 42 ASN N N 42 114.491 114.491 115.068 -0.577 18171 1986 1 6 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.788 0.074 18171 1987 1 6 . 1 1 42 42 ASN C C 42 173.784 173.784 174.750 -0.966 18171 1988 1 6 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.541 -1.008 18171 1989 1 6 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.363 -0.775 18171 1990 1 6 . 1 1 42 42 ASN H H 42 8.281 8.281 7.538 0.743 18171 1991 1 6 . 1 1 43 43 ASP N N 43 122.981 122.981 122.337 0.644 18171 1992 1 6 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.796 -0.041 18171 1993 1 6 . 1 1 43 43 ASP C C 43 174.773 174.773 176.043 -1.270 18171 1994 1 6 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.842 -0.235 18171 1995 1 6 . 1 1 43 43 ASP CB C 43 41.369 41.369 41.017 0.352 18171 1996 1 6 . 1 1 43 43 ASP H H 43 7.960 7.960 8.252 -0.292 18171 1997 1 6 . 1 1 44 44 LYS N N 44 125.893 125.893 128.280 -2.387 18171 1998 1 6 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.935 -0.075 18171 1999 1 6 . 1 1 44 44 LYS C C 44 177.796 177.796 178.148 -0.352 18171 2000 1 6 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.121 0.675 18171 2001 1 6 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.599 -0.063 18171 2002 1 6 . 1 1 44 44 LYS H H 44 8.361 8.361 8.165 0.196 18171 2003 1 6 . 1 1 45 45 GLU N N 45 116.698 116.698 118.868 -2.170 18171 2004 1 6 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.140 -0.073 18171 2005 1 6 . 1 1 45 45 GLU C C 45 178.724 178.724 178.431 0.293 18171 2006 1 6 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.604 -0.149 18171 2007 1 6 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.673 0.084 18171 2008 1 6 . 1 1 45 45 GLU H H 45 8.127 8.127 8.002 0.125 18171 2009 1 6 . 1 1 46 46 VAL N N 46 117.476 117.476 119.966 -2.490 18171 2010 1 6 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.738 -0.324 18171 2011 1 6 . 1 1 46 46 VAL C C 46 177.879 177.879 178.253 -0.374 18171 2012 1 6 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.032 0.398 18171 2013 1 6 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.538 0.490 18171 2014 1 6 . 1 1 46 46 VAL H H 46 7.452 7.452 7.860 -0.408 18171 2015 1 6 . 1 1 47 47 MET N N 47 117.027 117.027 119.811 -2.784 18171 2016 1 6 . 1 1 47 47 MET HA H 47 4.479 4.479 4.094 0.385 18171 2017 1 6 . 1 1 47 47 MET C C 47 179.307 179.307 178.495 0.812 18171 2018 1 6 . 1 1 47 47 MET CA C 47 56.809 56.809 59.869 -3.060 18171 2019 1 6 . 1 1 47 47 MET CB C 47 30.371 30.371 32.067 -1.696 18171 2020 1 6 . 1 1 47 47 MET H H 47 8.542 8.542 8.479 0.063 18171 2021 1 6 . 1 1 48 48 ASP N N 48 119.811 119.811 120.438 -0.627 18171 2022 1 6 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.417 0.075 18171 2023 1 6 . 1 1 48 48 ASP C C 48 179.136 179.136 179.042 0.094 18171 2024 1 6 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.500 0.071 18171 2025 1 6 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.438 0.015 18171 2026 1 6 . 1 1 48 48 ASP H H 48 8.580 8.580 7.946 0.634 18171 2027 1 6 . 1 1 49 49 VAL N N 49 118.816 118.816 120.014 -1.198 18171 2028 1 6 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.841 -0.203 18171 2029 1 6 . 1 1 49 49 VAL C C 49 177.777 177.777 177.198 0.579 18171 2030 1 6 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.391 1.066 18171 2031 1 6 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.732 -0.666 18171 2032 1 6 . 1 1 49 49 VAL H H 49 7.319 7.319 7.554 -0.235 18171 2033 1 6 . 1 1 50 50 PHE N N 50 120.305 120.305 119.946 0.359 18171 2034 1 6 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.255 -0.119 18171 2035 1 6 . 1 1 50 50 PHE C C 50 178.505 178.505 177.646 0.859 18171 2036 1 6 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.044 -0.504 18171 2037 1 6 . 1 1 50 50 PHE CB C 50 38.309 38.309 39.119 -0.810 18171 2038 1 6 . 1 1 50 50 PHE H H 50 8.529 8.529 8.745 -0.216 18171 2039 1 6 . 1 1 51 51 ASN N N 51 117.888 117.888 117.308 0.580 18171 2040 1 6 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.476 -0.061 18171 2041 1 6 . 1 1 51 51 ASN C C 51 177.863 177.863 177.302 0.561 18171 2042 1 6 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.957 0.211 18171 2043 1 6 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.592 -0.283 18171 2044 1 6 . 1 1 51 51 ASN H H 51 8.886 8.886 8.515 0.371 18171 2045 1 6 . 1 1 52 52 LYS N N 52 120.120 120.120 121.163 -1.043 18171 2046 1 6 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.019 0.091 18171 2047 1 6 . 1 1 52 52 LYS C C 52 179.002 179.002 178.454 0.548 18171 2048 1 6 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.162 -0.188 18171 2049 1 6 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.293 -0.238 18171 2050 1 6 . 1 1 52 52 LYS H H 52 7.760 7.760 7.376 0.384 18171 2051 1 6 . 1 1 53 53 ILE N N 53 117.988 117.988 119.697 -1.709 18171 2052 1 6 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.561 0.196 18171 2053 1 6 . 1 1 53 53 ILE C C 53 177.686 177.686 177.669 0.017 18171 2054 1 6 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.751 0.290 18171 2055 1 6 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.751 -0.083 18171 2056 1 6 . 1 1 53 53 ILE H H 53 8.400 8.400 8.206 0.194 18171 2057 1 6 . 1 1 54 54 SER N N 54 114.267 114.267 113.414 0.853 18171 2058 1 6 . 1 1 54 54 SER HA H 54 4.050 4.050 4.185 -0.135 18171 2059 1 6 . 1 1 54 54 SER C C 54 175.690 175.690 176.060 -0.370 18171 2060 1 6 . 1 1 54 54 SER CA C 54 61.417 61.417 60.514 0.903 18171 2061 1 6 . 1 1 54 54 SER CB C 54 62.922 62.922 62.986 -0.064 18171 2062 1 6 . 1 1 54 54 SER H H 54 8.042 8.042 7.499 0.543 18171 2063 1 6 . 1 1 55 55 GLN N N 55 118.045 118.045 119.619 -1.574 18171 2064 1 6 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.089 0.051 18171 2065 1 6 . 1 1 55 55 GLN C C 55 177.193 177.193 177.354 -0.161 18171 2066 1 6 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.248 -1.166 18171 2067 1 6 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.654 0.066 18171 2068 1 6 . 1 1 55 55 GLN H H 55 7.415 7.415 7.230 0.185 18171 2069 1 6 . 1 1 56 56 LEU N N 56 118.492 118.492 116.903 1.589 18171 2070 1 6 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.203 -0.170 18171 2071 1 6 . 1 1 56 56 LEU C C 56 176.578 176.578 176.910 -0.332 18171 2072 1 6 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.457 0.448 18171 2073 1 6 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.357 0.192 18171 2074 1 6 . 1 1 56 56 LEU H H 56 7.732 7.732 7.647 0.085 18171 2075 1 6 . 1 1 57 57 PHE N N 57 116.774 116.774 115.247 1.527 18171 2076 1 6 . 1 1 57 57 PHE HA H 57 4.892 4.892 5.006 -0.114 18171 2077 1 6 . 1 1 57 57 PHE C C 57 173.125 173.125 174.389 -1.264 18171 2078 1 6 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.799 1.412 18171 2079 1 6 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.650 1.373 18171 2080 1 6 . 1 1 57 57 PHE H H 57 7.629 7.629 7.291 0.338 18171 2081 1 6 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.448 0.032 18171 2082 1 6 . 1 1 58 58 PRO C C 58 178.090 178.090 178.130 -0.040 18171 2083 1 6 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.408 -0.436 18171 2084 1 6 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.890 -0.963 18171 2085 1 6 . 1 1 59 59 GLY N N 59 108.335 108.335 106.552 1.783 18171 2086 1 6 . 1 1 59 59 GLY C C 59 174.930 174.930 174.352 0.578 18171 2087 1 6 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.671 0.713 18171 2088 1 6 . 1 1 59 59 GLY H H 59 8.411 8.411 8.348 0.063 18171 2089 1 6 . 1 1 60 60 MET N N 60 119.206 119.206 117.676 1.530 18171 2090 1 6 . 1 1 60 60 MET HA H 60 4.467 4.467 4.211 0.256 18171 2091 1 6 . 1 1 60 60 MET C C 60 176.320 176.320 175.962 0.358 18171 2092 1 6 . 1 1 60 60 MET CA C 60 56.395 56.395 55.285 1.110 18171 2093 1 6 . 1 1 60 60 MET CB C 60 32.964 32.964 30.481 2.483 18171 2094 1 6 . 1 1 60 60 MET H H 60 8.053 8.053 7.785 0.268 18171 2095 1 6 . 1 1 61 61 THR N N 61 111.041 111.041 116.537 -5.496 18171 2096 1 6 . 1 1 61 61 THR HA H 61 4.402 4.402 4.360 0.042 18171 2097 1 6 . 1 1 61 61 THR C C 61 173.976 173.976 175.538 -1.562 18171 2098 1 6 . 1 1 61 61 THR CA C 61 61.233 61.233 61.686 -0.453 18171 2099 1 6 . 1 1 61 61 THR CB C 61 70.120 70.120 69.589 0.531 18171 2100 1 6 . 1 1 61 61 THR H H 61 7.880 7.880 7.995 -0.115 18171 2101 1 7 . 1 1 2 2 GLU N N 2 115.081 115.081 120.846 -5.765 18171 2102 1 7 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.060 -0.200 18171 2103 1 7 . 1 1 2 2 GLU C C 2 179.259 179.259 178.214 1.045 18171 2104 1 7 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.182 1.178 18171 2105 1 7 . 1 1 2 2 GLU CB C 2 28.726 28.726 28.983 -0.257 18171 2106 1 7 . 1 1 2 2 GLU H H 2 8.756 8.756 9.139 -0.383 18171 2107 1 7 . 1 1 3 3 GLU N N 3 120.051 120.051 119.268 0.783 18171 2108 1 7 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.069 -0.053 18171 2109 1 7 . 1 1 3 3 GLU C C 3 178.863 178.863 179.016 -0.153 18171 2110 1 7 . 1 1 3 3 GLU CA C 3 59.006 59.006 58.896 0.110 18171 2111 1 7 . 1 1 3 3 GLU CB C 3 30.365 30.365 28.783 1.582 18171 2112 1 7 . 1 1 3 3 GLU H H 3 7.722 7.722 8.602 -0.880 18171 2113 1 7 . 1 1 4 4 VAL N N 4 120.223 120.223 120.653 -0.430 18171 2114 1 7 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.737 -0.228 18171 2115 1 7 . 1 1 4 4 VAL C C 4 177.687 177.687 177.578 0.109 18171 2116 1 7 . 1 1 4 4 VAL CA C 4 66.667 66.667 64.868 1.799 18171 2117 1 7 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.781 -0.240 18171 2118 1 7 . 1 1 4 4 VAL H H 4 7.815 7.815 7.400 0.415 18171 2119 1 7 . 1 1 5 5 ILE N N 5 118.475 118.475 119.513 -1.038 18171 2120 1 7 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.537 -0.037 18171 2121 1 7 . 1 1 5 5 ILE C C 5 177.638 177.638 177.947 -0.309 18171 2122 1 7 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.100 -0.739 18171 2123 1 7 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.363 -0.227 18171 2124 1 7 . 1 1 5 5 ILE H H 5 8.293 8.293 8.017 0.276 18171 2125 1 7 . 1 1 6 6 SER N N 6 113.327 113.327 114.515 -1.188 18171 2126 1 7 . 1 1 6 6 SER HA H 6 4.034 4.034 4.189 -0.155 18171 2127 1 7 . 1 1 6 6 SER C C 6 176.398 176.398 176.576 -0.178 18171 2128 1 7 . 1 1 6 6 SER CA C 6 61.781 61.781 61.375 0.406 18171 2129 1 7 . 1 1 6 6 SER CB C 6 62.770 62.770 63.002 -0.232 18171 2130 1 7 . 1 1 6 6 SER H H 6 7.740 7.740 7.766 -0.026 18171 2131 1 7 . 1 1 7 7 LYS N N 7 119.755 119.755 122.098 -2.343 18171 2132 1 7 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.113 0.030 18171 2133 1 7 . 1 1 7 7 LYS C C 7 179.622 179.622 178.885 0.737 18171 2134 1 7 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.467 -0.461 18171 2135 1 7 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.737 0.005 18171 2136 1 7 . 1 1 7 7 LYS H H 7 7.523 7.523 7.813 -0.290 18171 2137 1 7 . 1 1 8 8 ILE N N 8 119.544 119.544 119.905 -0.361 18171 2138 1 7 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.740 -0.097 18171 2139 1 7 . 1 1 8 8 ILE C C 8 177.510 177.510 177.157 0.353 18171 2140 1 7 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.916 2.264 18171 2141 1 7 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.082 1.379 18171 2142 1 7 . 1 1 8 8 ILE H H 8 8.132 8.132 7.636 0.496 18171 2143 1 7 . 1 1 9 9 MET N N 9 114.616 114.616 118.068 -3.452 18171 2144 1 7 . 1 1 9 9 MET HA H 9 4.104 4.104 4.165 -0.061 18171 2145 1 7 . 1 1 9 9 MET C C 9 177.018 177.018 176.974 0.044 18171 2146 1 7 . 1 1 9 9 MET CA C 9 56.601 56.601 57.880 -1.280 18171 2147 1 7 . 1 1 9 9 MET CB C 9 31.479 31.479 31.748 -0.269 18171 2148 1 7 . 1 1 9 9 MET H H 9 7.835 7.835 7.610 0.225 18171 2149 1 7 . 1 1 10 10 GLU N N 10 116.206 116.206 118.426 -2.220 18171 2150 1 7 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.111 0.041 18171 2151 1 7 . 1 1 10 10 GLU C C 10 176.263 176.263 176.951 -0.688 18171 2152 1 7 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.365 -0.282 18171 2153 1 7 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.650 0.360 18171 2154 1 7 . 1 1 10 10 GLU H H 10 7.318 7.318 7.825 -0.507 18171 2155 1 7 . 1 1 11 11 ASN N N 11 119.007 119.007 118.261 0.746 18171 2156 1 7 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.133 0.008 18171 2157 1 7 . 1 1 11 11 ASN C C 11 173.093 173.093 172.928 0.165 18171 2158 1 7 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.839 -1.130 18171 2159 1 7 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.404 0.695 18171 2160 1 7 . 1 1 11 11 ASN H H 11 7.707 7.707 7.835 -0.128 18171 2161 1 7 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.035 0.248 18171 2162 1 7 . 1 1 12 12 PRO C C 12 177.932 177.932 177.240 0.692 18171 2163 1 7 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.506 -0.278 18171 2164 1 7 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.635 0.373 18171 2165 1 7 . 1 1 13 13 ASP N N 13 116.410 116.410 117.871 -1.461 18171 2166 1 7 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.385 0.040 18171 2167 1 7 . 1 1 13 13 ASP C C 13 178.456 178.456 178.002 0.454 18171 2168 1 7 . 1 1 13 13 ASP CA C 13 56.809 56.809 56.967 -0.158 18171 2169 1 7 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.434 -0.495 18171 2170 1 7 . 1 1 13 13 ASP H H 13 8.218 8.218 8.247 -0.029 18171 2171 1 7 . 1 1 14 14 VAL N N 14 120.053 120.053 120.321 -0.268 18171 2172 1 7 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.740 0.042 18171 2173 1 7 . 1 1 14 14 VAL C C 14 177.045 177.045 177.499 -0.454 18171 2174 1 7 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.525 -1.175 18171 2175 1 7 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.640 0.121 18171 2176 1 7 . 1 1 14 14 VAL H H 14 7.722 7.722 8.168 -0.446 18171 2177 1 7 . 1 1 15 15 ALA N N 15 121.814 121.814 122.638 -0.824 18171 2178 1 7 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.746 0.176 18171 2179 1 7 . 1 1 15 15 ALA C C 15 180.315 180.315 179.143 1.172 18171 2180 1 7 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.087 0.567 18171 2181 1 7 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.172 0.005 18171 2182 1 7 . 1 1 15 15 ALA H H 15 8.245 8.245 7.432 0.813 18171 2183 1 7 . 1 1 16 16 MET N N 16 114.438 114.438 116.402 -1.964 18171 2184 1 7 . 1 1 16 16 MET HA H 16 4.234 4.234 4.282 -0.048 18171 2185 1 7 . 1 1 16 16 MET C C 16 178.930 178.930 178.836 0.094 18171 2186 1 7 . 1 1 16 16 MET CA C 16 58.011 58.011 58.437 -0.426 18171 2187 1 7 . 1 1 16 16 MET CB C 16 32.027 32.027 32.986 -0.959 18171 2188 1 7 . 1 1 16 16 MET H H 16 7.878 7.878 7.706 0.172 18171 2189 1 7 . 1 1 17 17 ALA N N 17 123.280 123.280 123.712 -0.432 18171 2190 1 7 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.200 -0.022 18171 2191 1 7 . 1 1 17 17 ALA C C 17 179.091 179.091 179.616 -0.525 18171 2192 1 7 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.956 -0.393 18171 2193 1 7 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.096 0.295 18171 2194 1 7 . 1 1 17 17 ALA H H 17 7.647 7.647 7.978 -0.331 18171 2195 1 7 . 1 1 18 18 PHE N N 18 114.808 114.808 115.485 -0.677 18171 2196 1 7 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.239 -0.121 18171 2197 1 7 . 1 1 18 18 PHE C C 18 175.169 175.169 176.372 -1.203 18171 2198 1 7 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.351 -0.917 18171 2199 1 7 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.575 0.468 18171 2200 1 7 . 1 1 18 18 PHE H H 18 8.032 8.032 8.613 -0.581 18171 2201 1 7 . 1 1 19 19 GLN N N 19 114.221 114.221 116.553 -2.332 18171 2202 1 7 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.390 -0.323 18171 2203 1 7 . 1 1 19 19 GLN C C 19 175.843 175.843 175.553 0.290 18171 2204 1 7 . 1 1 19 19 GLN CA C 19 56.147 56.147 54.969 1.178 18171 2205 1 7 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.676 -0.056 18171 2206 1 7 . 1 1 19 19 GLN H H 19 7.414 7.414 7.592 -0.178 18171 2207 1 7 . 1 1 20 20 ASN N N 20 119.994 119.994 120.050 -0.056 18171 2208 1 7 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.186 -0.303 18171 2209 1 7 . 1 1 20 20 ASN C C 20 174.726 174.726 174.160 0.566 18171 2210 1 7 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.835 -0.234 18171 2211 1 7 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.861 -1.604 18171 2212 1 7 . 1 1 20 20 ASN H H 20 7.497 7.497 8.008 -0.511 18171 2213 1 7 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.266 -0.077 18171 2214 1 7 . 1 1 21 21 PRO C C 21 178.747 178.747 178.225 0.522 18171 2215 1 7 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.769 -0.723 18171 2216 1 7 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.142 -0.021 18171 2217 1 7 . 1 1 22 22 ARG N N 22 117.899 117.899 118.551 -0.652 18171 2218 1 7 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.051 0.042 18171 2219 1 7 . 1 1 22 22 ARG C C 22 178.827 178.827 178.398 0.429 18171 2220 1 7 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.519 0.467 18171 2221 1 7 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.670 1.761 18171 2222 1 7 . 1 1 22 22 ARG H H 22 8.066 8.066 8.691 -0.625 18171 2223 1 7 . 1 1 23 23 VAL N N 23 119.694 119.694 120.523 -0.829 18171 2224 1 7 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.689 -0.305 18171 2225 1 7 . 1 1 23 23 VAL C C 23 177.319 177.319 177.975 -0.656 18171 2226 1 7 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.205 -0.457 18171 2227 1 7 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.169 0.352 18171 2228 1 7 . 1 1 23 23 VAL H H 23 7.199 7.199 7.546 -0.347 18171 2229 1 7 . 1 1 24 24 GLN N N 24 117.842 117.842 118.611 -0.769 18171 2230 1 7 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.743 -0.110 18171 2231 1 7 . 1 1 24 24 GLN C C 24 177.902 177.902 178.464 -0.562 18171 2232 1 7 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.828 0.841 18171 2233 1 7 . 1 1 24 24 GLN CB C 24 28.020 28.020 27.892 0.128 18171 2234 1 7 . 1 1 24 24 GLN H H 24 7.790 7.790 7.995 -0.205 18171 2235 1 7 . 1 1 25 25 ALA N N 25 119.267 119.267 120.999 -1.732 18171 2236 1 7 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.137 -0.091 18171 2237 1 7 . 1 1 25 25 ALA C C 25 179.854 179.854 179.193 0.661 18171 2238 1 7 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.732 0.314 18171 2239 1 7 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.169 -0.345 18171 2240 1 7 . 1 1 25 25 ALA H H 25 7.808 7.808 8.122 -0.314 18171 2241 1 7 . 1 1 26 26 ALA N N 26 120.738 120.738 122.105 -1.367 18171 2242 1 7 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.833 0.088 18171 2243 1 7 . 1 1 26 26 ALA C C 26 179.988 179.988 179.676 0.312 18171 2244 1 7 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.514 0.685 18171 2245 1 7 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.350 -0.179 18171 2246 1 7 . 1 1 26 26 ALA H H 26 7.500 7.500 6.987 0.513 18171 2247 1 7 . 1 1 27 27 LEU N N 27 118.511 118.511 119.387 -0.876 18171 2248 1 7 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.186 -0.273 18171 2249 1 7 . 1 1 27 27 LEU C C 27 179.923 179.923 178.979 0.944 18171 2250 1 7 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.037 0.022 18171 2251 1 7 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.639 -0.711 18171 2252 1 7 . 1 1 27 27 LEU H H 27 8.324 8.324 8.465 -0.141 18171 2253 1 7 . 1 1 28 28 MET N N 28 118.681 118.681 118.797 -0.116 18171 2254 1 7 . 1 1 28 28 MET HA H 28 4.144 4.144 4.101 0.043 18171 2255 1 7 . 1 1 28 28 MET C C 28 179.635 179.635 178.575 1.060 18171 2256 1 7 . 1 1 28 28 MET CA C 28 58.734 58.734 57.816 0.918 18171 2257 1 7 . 1 1 28 28 MET CB C 28 31.901 31.901 32.467 -0.566 18171 2258 1 7 . 1 1 28 28 MET H H 28 8.127 8.127 8.174 -0.047 18171 2259 1 7 . 1 1 29 29 GLU N N 29 119.813 119.813 118.821 0.992 18171 2260 1 7 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.156 0.070 18171 2261 1 7 . 1 1 29 29 GLU C C 29 180.544 180.544 179.063 1.481 18171 2262 1 7 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.697 0.999 18171 2263 1 7 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.798 -0.121 18171 2264 1 7 . 1 1 29 29 GLU H H 29 8.302 8.302 8.316 -0.014 18171 2265 1 7 . 1 1 30 30 CYS N N 30 118.465 118.465 119.597 -1.132 18171 2266 1 7 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.517 -0.064 18171 2267 1 7 . 1 1 30 30 CYS C C 30 175.357 175.357 175.836 -0.479 18171 2268 1 7 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.003 0.479 18171 2269 1 7 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.815 -0.025 18171 2270 1 7 . 1 1 30 30 CYS H H 30 8.465 8.465 8.048 0.417 18171 2271 1 7 . 1 1 31 31 SER N N 31 114.366 114.366 113.131 1.235 18171 2272 1 7 . 1 1 31 31 SER HA H 31 4.174 4.174 4.149 0.025 18171 2273 1 7 . 1 1 31 31 SER C C 31 175.371 175.371 175.975 -0.604 18171 2274 1 7 . 1 1 31 31 SER CA C 31 60.932 60.932 60.861 0.071 18171 2275 1 7 . 1 1 31 31 SER CB C 31 62.749 62.749 63.236 -0.487 18171 2276 1 7 . 1 1 31 31 SER H H 31 7.859 7.859 7.691 0.168 18171 2277 1 7 . 1 1 32 32 GLU N N 32 119.996 119.996 119.447 0.549 18171 2278 1 7 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.211 -0.007 18171 2279 1 7 . 1 1 32 32 GLU C C 32 176.983 176.983 176.503 0.480 18171 2280 1 7 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.249 -0.278 18171 2281 1 7 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.534 -0.457 18171 2282 1 7 . 1 1 32 32 GLU H H 32 7.254 7.254 7.957 -0.703 18171 2283 1 7 . 1 1 33 33 ASN N N 33 113.026 113.026 111.307 1.719 18171 2284 1 7 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.926 0.047 18171 2285 1 7 . 1 1 33 33 ASN C C 33 173.504 173.504 172.893 0.611 18171 2286 1 7 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.664 -0.928 18171 2287 1 7 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.829 1.656 18171 2288 1 7 . 1 1 33 33 ASN H H 33 7.370 7.370 7.599 -0.229 18171 2289 1 7 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.290 0.284 18171 2290 1 7 . 1 1 34 34 PRO C C 34 178.270 178.270 177.640 0.630 18171 2291 1 7 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.073 -0.246 18171 2292 1 7 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.828 -0.074 18171 2293 1 7 . 1 1 35 35 MET N N 35 115.258 115.258 115.179 0.079 18171 2294 1 7 . 1 1 35 35 MET HA H 35 4.330 4.330 4.183 0.147 18171 2295 1 7 . 1 1 35 35 MET C C 35 178.569 178.569 177.252 1.317 18171 2296 1 7 . 1 1 35 35 MET CA C 35 57.050 57.050 57.760 -0.709 18171 2297 1 7 . 1 1 35 35 MET CB C 35 31.300 31.300 31.616 -0.316 18171 2298 1 7 . 1 1 35 35 MET H H 35 7.962 7.962 7.889 0.073 18171 2299 1 7 . 1 1 36 36 ASN N N 36 117.357 117.357 119.086 -1.729 18171 2300 1 7 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.589 -0.016 18171 2301 1 7 . 1 1 36 36 ASN C C 36 176.470 176.470 177.364 -0.894 18171 2302 1 7 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.937 -0.811 18171 2303 1 7 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.764 0.678 18171 2304 1 7 . 1 1 36 36 ASN H H 36 8.462 8.462 8.278 0.184 18171 2305 1 7 . 1 1 37 37 ILE N N 37 121.622 121.622 122.220 -0.598 18171 2306 1 7 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.916 0.194 18171 2307 1 7 . 1 1 37 37 ILE C C 37 177.331 177.331 177.234 0.097 18171 2308 1 7 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.937 -0.348 18171 2309 1 7 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.715 0.300 18171 2310 1 7 . 1 1 37 37 ILE H H 37 7.820 7.820 7.425 0.395 18171 2311 1 7 . 1 1 38 38 MET N N 38 118.071 118.071 116.624 1.447 18171 2312 1 7 . 1 1 38 38 MET HA H 38 4.174 4.174 4.094 0.080 18171 2313 1 7 . 1 1 38 38 MET C C 38 178.456 178.456 177.362 1.094 18171 2314 1 7 . 1 1 38 38 MET CA C 38 57.563 57.563 57.406 0.157 18171 2315 1 7 . 1 1 38 38 MET CB C 38 31.533 31.533 31.564 -0.031 18171 2316 1 7 . 1 1 38 38 MET H H 38 7.479 7.479 7.531 -0.052 18171 2317 1 7 . 1 1 39 39 LYS N N 39 117.427 117.427 118.493 -1.066 18171 2318 1 7 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.140 -0.193 18171 2319 1 7 . 1 1 39 39 LYS C C 39 177.456 177.456 178.601 -1.145 18171 2320 1 7 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.917 0.095 18171 2321 1 7 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.456 -1.683 18171 2322 1 7 . 1 1 39 39 LYS H H 39 7.580 7.580 7.645 -0.065 18171 2323 1 7 . 1 1 40 40 TYR N N 40 116.049 116.049 119.175 -3.126 18171 2324 1 7 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.316 0.214 18171 2325 1 7 . 1 1 40 40 TYR C C 40 175.635 175.635 177.995 -2.360 18171 2326 1 7 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.044 -0.645 18171 2327 1 7 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.790 2.700 18171 2328 1 7 . 1 1 40 40 TYR H H 40 7.651 7.651 7.670 -0.019 18171 2329 1 7 . 1 1 41 41 GLN N N 41 116.626 116.626 120.035 -3.409 18171 2330 1 7 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.955 0.378 18171 2331 1 7 . 1 1 41 41 GLN C C 41 175.887 175.887 176.652 -0.765 18171 2332 1 7 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.707 -0.121 18171 2333 1 7 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.586 1.461 18171 2334 1 7 . 1 1 41 41 GLN H H 41 7.001 7.001 7.923 -0.922 18171 2335 1 7 . 1 1 42 42 ASN N N 42 114.491 114.491 115.303 -0.812 18171 2336 1 7 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.709 0.153 18171 2337 1 7 . 1 1 42 42 ASN C C 42 173.784 173.784 175.223 -1.439 18171 2338 1 7 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.431 -1.899 18171 2339 1 7 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.126 -0.538 18171 2340 1 7 . 1 1 42 42 ASN H H 42 8.281 8.281 7.564 0.717 18171 2341 1 7 . 1 1 43 43 ASP N N 43 122.981 122.981 122.197 0.784 18171 2342 1 7 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.778 -0.023 18171 2343 1 7 . 1 1 43 43 ASP C C 43 174.773 174.773 176.119 -1.346 18171 2344 1 7 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.978 -0.371 18171 2345 1 7 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.740 0.629 18171 2346 1 7 . 1 1 43 43 ASP H H 43 7.960 7.960 8.276 -0.316 18171 2347 1 7 . 1 1 44 44 LYS N N 44 125.893 125.893 127.167 -1.274 18171 2348 1 7 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.906 -0.046 18171 2349 1 7 . 1 1 44 44 LYS C C 44 177.796 177.796 178.058 -0.262 18171 2350 1 7 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.574 0.222 18171 2351 1 7 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.548 -0.012 18171 2352 1 7 . 1 1 44 44 LYS H H 44 8.361 8.361 7.989 0.372 18171 2353 1 7 . 1 1 45 45 GLU N N 45 116.698 116.698 119.043 -2.345 18171 2354 1 7 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.122 -0.055 18171 2355 1 7 . 1 1 45 45 GLU C C 45 178.724 178.724 178.743 -0.019 18171 2356 1 7 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.282 0.173 18171 2357 1 7 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.244 0.513 18171 2358 1 7 . 1 1 45 45 GLU H H 45 8.127 8.127 7.934 0.193 18171 2359 1 7 . 1 1 46 46 VAL N N 46 117.476 117.476 119.807 -2.331 18171 2360 1 7 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.737 -0.323 18171 2361 1 7 . 1 1 46 46 VAL C C 46 177.879 177.879 178.320 -0.441 18171 2362 1 7 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.181 0.249 18171 2363 1 7 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.231 0.797 18171 2364 1 7 . 1 1 46 46 VAL H H 46 7.452 7.452 7.832 -0.380 18171 2365 1 7 . 1 1 47 47 MET N N 47 117.027 117.027 119.598 -2.571 18171 2366 1 7 . 1 1 47 47 MET HA H 47 4.479 4.479 4.069 0.410 18171 2367 1 7 . 1 1 47 47 MET C C 47 179.307 179.307 178.552 0.755 18171 2368 1 7 . 1 1 47 47 MET CA C 47 56.809 56.809 59.870 -3.061 18171 2369 1 7 . 1 1 47 47 MET CB C 47 30.371 30.371 32.091 -1.720 18171 2370 1 7 . 1 1 47 47 MET H H 47 8.542 8.542 8.272 0.270 18171 2371 1 7 . 1 1 48 48 ASP N N 48 119.811 119.811 120.557 -0.746 18171 2372 1 7 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.400 0.092 18171 2373 1 7 . 1 1 48 48 ASP C C 48 179.136 179.136 179.036 0.100 18171 2374 1 7 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.700 -0.129 18171 2375 1 7 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.610 -0.157 18171 2376 1 7 . 1 1 48 48 ASP H H 48 8.580 8.580 8.057 0.523 18171 2377 1 7 . 1 1 49 49 VAL N N 49 118.816 118.816 119.965 -1.149 18171 2378 1 7 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.753 -0.115 18171 2379 1 7 . 1 1 49 49 VAL C C 49 177.777 177.777 177.210 0.567 18171 2380 1 7 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.716 0.741 18171 2381 1 7 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.086 -1.020 18171 2382 1 7 . 1 1 49 49 VAL H H 49 7.319 7.319 7.595 -0.276 18171 2383 1 7 . 1 1 50 50 PHE N N 50 120.305 120.305 119.319 0.986 18171 2384 1 7 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.245 -0.109 18171 2385 1 7 . 1 1 50 50 PHE C C 50 178.505 178.505 177.499 1.006 18171 2386 1 7 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.773 -0.233 18171 2387 1 7 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.970 -0.661 18171 2388 1 7 . 1 1 50 50 PHE H H 50 8.529 8.529 8.847 -0.318 18171 2389 1 7 . 1 1 51 51 ASN N N 51 117.888 117.888 117.342 0.546 18171 2390 1 7 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.543 -0.128 18171 2391 1 7 . 1 1 51 51 ASN C C 51 177.863 177.863 177.435 0.428 18171 2392 1 7 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.075 0.093 18171 2393 1 7 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.577 -0.268 18171 2394 1 7 . 1 1 51 51 ASN H H 51 8.886 8.886 8.585 0.301 18171 2395 1 7 . 1 1 52 52 LYS N N 52 120.120 120.120 121.235 -1.115 18171 2396 1 7 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.067 0.043 18171 2397 1 7 . 1 1 52 52 LYS C C 52 179.002 179.002 178.576 0.426 18171 2398 1 7 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.188 -0.214 18171 2399 1 7 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.300 -0.245 18171 2400 1 7 . 1 1 52 52 LYS H H 52 7.760 7.760 7.445 0.315 18171 2401 1 7 . 1 1 53 53 ILE N N 53 117.988 117.988 119.980 -1.992 18171 2402 1 7 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.651 0.106 18171 2403 1 7 . 1 1 53 53 ILE C C 53 177.686 177.686 177.798 -0.112 18171 2404 1 7 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.682 0.359 18171 2405 1 7 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.830 -0.163 18171 2406 1 7 . 1 1 53 53 ILE H H 53 8.400 8.400 8.270 0.130 18171 2407 1 7 . 1 1 54 54 SER N N 54 114.267 114.267 114.159 0.108 18171 2408 1 7 . 1 1 54 54 SER HA H 54 4.050 4.050 4.550 -0.500 18171 2409 1 7 . 1 1 54 54 SER C C 54 175.690 175.690 176.561 -0.871 18171 2410 1 7 . 1 1 54 54 SER CA C 54 61.417 61.417 60.650 0.767 18171 2411 1 7 . 1 1 54 54 SER CB C 54 62.922 62.922 63.293 -0.371 18171 2412 1 7 . 1 1 54 54 SER H H 54 8.042 8.042 7.741 0.301 18171 2413 1 7 . 1 1 55 55 GLN N N 55 118.045 118.045 120.373 -2.328 18171 2414 1 7 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.051 0.089 18171 2415 1 7 . 1 1 55 55 GLN C C 55 177.193 177.193 178.022 -0.829 18171 2416 1 7 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.329 -1.247 18171 2417 1 7 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.853 -0.133 18171 2418 1 7 . 1 1 55 55 GLN H H 55 7.415 7.415 7.538 -0.123 18171 2419 1 7 . 1 1 56 56 LEU N N 56 118.492 118.492 117.142 1.350 18171 2420 1 7 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.103 -0.070 18171 2421 1 7 . 1 1 56 56 LEU C C 56 176.578 176.578 176.355 0.223 18171 2422 1 7 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.105 -0.200 18171 2423 1 7 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.447 0.102 18171 2424 1 7 . 1 1 56 56 LEU H H 56 7.732 7.732 7.758 -0.026 18171 2425 1 7 . 1 1 57 57 PHE N N 57 116.774 116.774 116.136 0.638 18171 2426 1 7 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.933 -0.041 18171 2427 1 7 . 1 1 57 57 PHE C C 57 173.125 173.125 173.204 -0.079 18171 2428 1 7 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.403 1.808 18171 2429 1 7 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.220 0.803 18171 2430 1 7 . 1 1 57 57 PHE H H 57 7.629 7.629 7.335 0.294 18171 2431 1 7 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.353 0.127 18171 2432 1 7 . 1 1 58 58 PRO C C 58 178.090 178.090 177.720 0.370 18171 2433 1 7 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.917 0.055 18171 2434 1 7 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.623 0.304 18171 2435 1 7 . 1 1 59 59 GLY N N 59 108.335 108.335 113.748 -5.413 18171 2436 1 7 . 1 1 59 59 GLY C C 59 174.930 174.930 173.465 1.465 18171 2437 1 7 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.077 0.307 18171 2438 1 7 . 1 1 59 59 GLY H H 59 8.411 8.411 8.462 -0.051 18171 2439 1 7 . 1 1 60 60 MET N N 60 119.206 119.206 121.018 -1.812 18171 2440 1 7 . 1 1 60 60 MET HA H 60 4.467 4.467 4.761 -0.294 18171 2441 1 7 . 1 1 60 60 MET C C 60 176.320 176.320 175.858 0.462 18171 2442 1 7 . 1 1 60 60 MET CA C 60 56.395 56.395 56.033 0.362 18171 2443 1 7 . 1 1 60 60 MET CB C 60 32.964 32.964 33.584 -0.620 18171 2444 1 7 . 1 1 60 60 MET H H 60 8.053 8.053 8.238 -0.185 18171 2445 1 7 . 1 1 61 61 THR N N 61 111.041 111.041 118.257 -7.216 18171 2446 1 7 . 1 1 61 61 THR HA H 61 4.402 4.402 4.273 0.129 18171 2447 1 7 . 1 1 61 61 THR C C 61 173.976 173.976 175.703 -1.727 18171 2448 1 7 . 1 1 61 61 THR CA C 61 61.233 61.233 62.622 -1.389 18171 2449 1 7 . 1 1 61 61 THR CB C 61 70.120 70.120 68.826 1.294 18171 2450 1 7 . 1 1 61 61 THR H H 61 7.880 7.880 8.202 -0.322 18171 2451 1 8 . 1 1 2 2 GLU N N 2 115.081 115.081 121.699 -6.618 18171 2452 1 8 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.991 -0.131 18171 2453 1 8 . 1 1 2 2 GLU C C 2 179.259 179.259 178.502 0.757 18171 2454 1 8 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.444 0.916 18171 2455 1 8 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.837 -1.111 18171 2456 1 8 . 1 1 2 2 GLU H H 2 8.756 8.756 8.730 0.026 18171 2457 1 8 . 1 1 3 3 GLU N N 3 120.051 120.051 119.890 0.161 18171 2458 1 8 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.099 -0.083 18171 2459 1 8 . 1 1 3 3 GLU C C 3 178.863 178.863 179.099 -0.236 18171 2460 1 8 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.470 -0.464 18171 2461 1 8 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.677 0.688 18171 2462 1 8 . 1 1 3 3 GLU H H 3 7.722 7.722 8.370 -0.648 18171 2463 1 8 . 1 1 4 4 VAL N N 4 120.223 120.223 119.345 0.878 18171 2464 1 8 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.842 -0.333 18171 2465 1 8 . 1 1 4 4 VAL C C 4 177.687 177.687 177.401 0.286 18171 2466 1 8 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.258 1.409 18171 2467 1 8 . 1 1 4 4 VAL CB C 4 31.541 31.541 32.072 -0.531 18171 2468 1 8 . 1 1 4 4 VAL H H 4 7.815 7.815 7.898 -0.083 18171 2469 1 8 . 1 1 5 5 ILE N N 5 118.475 118.475 118.883 -0.408 18171 2470 1 8 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.571 -0.071 18171 2471 1 8 . 1 1 5 5 ILE C C 5 177.638 177.638 177.464 0.174 18171 2472 1 8 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.866 -0.505 18171 2473 1 8 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.411 -0.275 18171 2474 1 8 . 1 1 5 5 ILE H H 5 8.293 8.293 8.306 -0.013 18171 2475 1 8 . 1 1 6 6 SER N N 6 113.327 113.327 114.553 -1.226 18171 2476 1 8 . 1 1 6 6 SER HA H 6 4.034 4.034 4.223 -0.189 18171 2477 1 8 . 1 1 6 6 SER C C 6 176.398 176.398 176.383 0.015 18171 2478 1 8 . 1 1 6 6 SER CA C 6 61.781 61.781 61.255 0.526 18171 2479 1 8 . 1 1 6 6 SER CB C 6 62.770 62.770 63.041 -0.271 18171 2480 1 8 . 1 1 6 6 SER H H 6 7.740 7.740 7.821 -0.081 18171 2481 1 8 . 1 1 7 7 LYS N N 7 119.755 119.755 122.853 -3.098 18171 2482 1 8 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.202 -0.059 18171 2483 1 8 . 1 1 7 7 LYS C C 7 179.622 179.622 178.593 1.029 18171 2484 1 8 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.458 -0.452 18171 2485 1 8 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.943 -0.201 18171 2486 1 8 . 1 1 7 7 LYS H H 7 7.523 7.523 7.930 -0.407 18171 2487 1 8 . 1 1 8 8 ILE N N 8 119.544 119.544 120.338 -0.794 18171 2488 1 8 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.886 -0.243 18171 2489 1 8 . 1 1 8 8 ILE C C 8 177.510 177.510 177.216 0.294 18171 2490 1 8 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.804 2.376 18171 2491 1 8 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.223 1.238 18171 2492 1 8 . 1 1 8 8 ILE H H 8 8.132 8.132 7.908 0.224 18171 2493 1 8 . 1 1 9 9 MET N N 9 114.616 114.616 115.985 -1.369 18171 2494 1 8 . 1 1 9 9 MET HA H 9 4.104 4.104 4.142 -0.038 18171 2495 1 8 . 1 1 9 9 MET C C 9 177.018 177.018 176.777 0.241 18171 2496 1 8 . 1 1 9 9 MET CA C 9 56.601 56.601 57.618 -1.017 18171 2497 1 8 . 1 1 9 9 MET CB C 9 31.479 31.479 31.740 -0.261 18171 2498 1 8 . 1 1 9 9 MET H H 9 7.835 7.835 7.369 0.466 18171 2499 1 8 . 1 1 10 10 GLU N N 10 116.206 116.206 117.965 -1.759 18171 2500 1 8 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.074 0.078 18171 2501 1 8 . 1 1 10 10 GLU C C 10 176.263 176.263 176.920 -0.657 18171 2502 1 8 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.359 -0.276 18171 2503 1 8 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.561 0.449 18171 2504 1 8 . 1 1 10 10 GLU H H 10 7.318 7.318 7.880 -0.562 18171 2505 1 8 . 1 1 11 11 ASN N N 11 119.007 119.007 116.710 2.297 18171 2506 1 8 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.051 0.090 18171 2507 1 8 . 1 1 11 11 ASN C C 11 173.093 173.093 173.188 -0.095 18171 2508 1 8 . 1 1 11 11 ASN CA C 11 50.709 50.709 52.027 -1.318 18171 2509 1 8 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.649 0.451 18171 2510 1 8 . 1 1 11 11 ASN H H 11 7.707 7.707 7.739 -0.032 18171 2511 1 8 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.091 0.192 18171 2512 1 8 . 1 1 12 12 PRO C C 12 177.932 177.932 177.166 0.766 18171 2513 1 8 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.196 0.032 18171 2514 1 8 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.975 0.033 18171 2515 1 8 . 1 1 13 13 ASP N N 13 116.410 116.410 117.444 -1.034 18171 2516 1 8 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.505 -0.080 18171 2517 1 8 . 1 1 13 13 ASP C C 13 178.456 178.456 178.581 -0.125 18171 2518 1 8 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.112 -0.303 18171 2519 1 8 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.801 -0.862 18171 2520 1 8 . 1 1 13 13 ASP H H 13 8.218 8.218 8.540 -0.322 18171 2521 1 8 . 1 1 14 14 VAL N N 14 120.053 120.053 120.495 -0.442 18171 2522 1 8 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.795 -0.013 18171 2523 1 8 . 1 1 14 14 VAL C C 14 177.045 177.045 177.507 -0.462 18171 2524 1 8 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.504 -1.154 18171 2525 1 8 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.765 -0.004 18171 2526 1 8 . 1 1 14 14 VAL H H 14 7.722 7.722 8.201 -0.479 18171 2527 1 8 . 1 1 15 15 ALA N N 15 121.814 121.814 122.833 -1.019 18171 2528 1 8 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.785 0.137 18171 2529 1 8 . 1 1 15 15 ALA C C 15 180.315 180.315 179.374 0.941 18171 2530 1 8 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.209 0.445 18171 2531 1 8 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.286 -0.109 18171 2532 1 8 . 1 1 15 15 ALA H H 15 8.245 8.245 7.553 0.692 18171 2533 1 8 . 1 1 16 16 MET N N 16 114.438 114.438 116.754 -2.316 18171 2534 1 8 . 1 1 16 16 MET HA H 16 4.234 4.234 4.487 -0.253 18171 2535 1 8 . 1 1 16 16 MET C C 16 178.930 178.930 179.088 -0.158 18171 2536 1 8 . 1 1 16 16 MET CA C 16 58.011 58.011 56.482 1.529 18171 2537 1 8 . 1 1 16 16 MET CB C 16 32.027 32.027 32.247 -0.220 18171 2538 1 8 . 1 1 16 16 MET H H 16 7.878 7.878 7.838 0.040 18171 2539 1 8 . 1 1 17 17 ALA N N 17 123.280 123.280 123.554 -0.274 18171 2540 1 8 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.206 -0.028 18171 2541 1 8 . 1 1 17 17 ALA C C 17 179.091 179.091 179.844 -0.753 18171 2542 1 8 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.950 -0.388 18171 2543 1 8 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.046 0.345 18171 2544 1 8 . 1 1 17 17 ALA H H 17 7.647 7.647 7.936 -0.289 18171 2545 1 8 . 1 1 18 18 PHE N N 18 114.808 114.808 116.291 -1.483 18171 2546 1 8 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.263 -0.145 18171 2547 1 8 . 1 1 18 18 PHE C C 18 175.169 175.169 176.670 -1.501 18171 2548 1 8 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.397 -0.963 18171 2549 1 8 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.703 0.340 18171 2550 1 8 . 1 1 18 18 PHE H H 18 8.032 8.032 8.695 -0.663 18171 2551 1 8 . 1 1 19 19 GLN N N 19 114.221 114.221 116.909 -2.688 18171 2552 1 8 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.316 -0.249 18171 2553 1 8 . 1 1 19 19 GLN C C 19 175.843 175.843 175.631 0.212 18171 2554 1 8 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.749 0.397 18171 2555 1 8 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.677 -0.057 18171 2556 1 8 . 1 1 19 19 GLN H H 19 7.414 7.414 7.588 -0.173 18171 2557 1 8 . 1 1 20 20 ASN N N 20 119.994 119.994 119.300 0.694 18171 2558 1 8 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.173 -0.290 18171 2559 1 8 . 1 1 20 20 ASN C C 20 174.726 174.726 173.967 0.759 18171 2560 1 8 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.471 0.130 18171 2561 1 8 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.440 -1.183 18171 2562 1 8 . 1 1 20 20 ASN H H 20 7.497 7.497 7.870 -0.373 18171 2563 1 8 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.384 -0.195 18171 2564 1 8 . 1 1 21 21 PRO C C 21 178.747 178.747 178.521 0.226 18171 2565 1 8 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.722 -0.676 18171 2566 1 8 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.165 -0.044 18171 2567 1 8 . 1 1 22 22 ARG N N 22 117.899 117.899 118.830 -0.931 18171 2568 1 8 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.002 0.091 18171 2569 1 8 . 1 1 22 22 ARG C C 22 178.827 178.827 178.545 0.282 18171 2570 1 8 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.847 0.139 18171 2571 1 8 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.195 1.236 18171 2572 1 8 . 1 1 22 22 ARG H H 22 8.066 8.066 8.669 -0.603 18171 2573 1 8 . 1 1 23 23 VAL N N 23 119.694 119.694 119.499 0.195 18171 2574 1 8 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.512 -0.128 18171 2575 1 8 . 1 1 23 23 VAL C C 23 177.319 177.319 177.419 -0.100 18171 2576 1 8 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.206 -0.458 18171 2577 1 8 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.395 0.126 18171 2578 1 8 . 1 1 23 23 VAL H H 23 7.199 7.199 7.561 -0.362 18171 2579 1 8 . 1 1 24 24 GLN N N 24 117.842 117.842 119.559 -1.717 18171 2580 1 8 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.734 -0.101 18171 2581 1 8 . 1 1 24 24 GLN C C 24 177.902 177.902 178.077 -0.175 18171 2582 1 8 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.151 0.518 18171 2583 1 8 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.585 -0.565 18171 2584 1 8 . 1 1 24 24 GLN H H 24 7.790 7.790 8.027 -0.237 18171 2585 1 8 . 1 1 25 25 ALA N N 25 119.267 119.267 120.345 -1.078 18171 2586 1 8 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.988 0.058 18171 2587 1 8 . 1 1 25 25 ALA C C 25 179.854 179.854 178.675 1.179 18171 2588 1 8 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.681 0.365 18171 2589 1 8 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.231 -0.407 18171 2590 1 8 . 1 1 25 25 ALA H H 25 7.808 7.808 8.438 -0.629 18171 2591 1 8 . 1 1 26 26 ALA N N 26 120.738 120.738 122.147 -1.409 18171 2592 1 8 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.611 0.310 18171 2593 1 8 . 1 1 26 26 ALA C C 26 179.988 179.988 179.690 0.298 18171 2594 1 8 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.385 0.814 18171 2595 1 8 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.651 0.520 18171 2596 1 8 . 1 1 26 26 ALA H H 26 7.500 7.500 7.381 0.119 18171 2597 1 8 . 1 1 27 27 LEU N N 27 118.511 118.511 119.213 -0.702 18171 2598 1 8 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.138 -0.225 18171 2599 1 8 . 1 1 27 27 LEU C C 27 179.923 179.923 178.970 0.953 18171 2600 1 8 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.750 0.309 18171 2601 1 8 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.918 -0.990 18171 2602 1 8 . 1 1 27 27 LEU H H 27 8.324 8.324 8.059 0.265 18171 2603 1 8 . 1 1 28 28 MET N N 28 118.681 118.681 118.698 -0.017 18171 2604 1 8 . 1 1 28 28 MET HA H 28 4.144 4.144 4.027 0.117 18171 2605 1 8 . 1 1 28 28 MET C C 28 179.635 179.635 178.106 1.529 18171 2606 1 8 . 1 1 28 28 MET CA C 28 58.734 58.734 58.206 0.528 18171 2607 1 8 . 1 1 28 28 MET CB C 28 31.901 31.901 32.283 -0.383 18171 2608 1 8 . 1 1 28 28 MET H H 28 8.127 8.127 8.422 -0.295 18171 2609 1 8 . 1 1 29 29 GLU N N 29 119.813 119.813 119.248 0.565 18171 2610 1 8 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.204 0.022 18171 2611 1 8 . 1 1 29 29 GLU C C 29 180.544 180.544 179.305 1.239 18171 2612 1 8 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.138 0.558 18171 2613 1 8 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.105 0.572 18171 2614 1 8 . 1 1 29 29 GLU H H 29 8.302 8.302 8.353 -0.051 18171 2615 1 8 . 1 1 30 30 CYS N N 30 118.465 118.465 119.501 -1.036 18171 2616 1 8 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.297 0.156 18171 2617 1 8 . 1 1 30 30 CYS C C 30 175.357 175.357 175.892 -0.535 18171 2618 1 8 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.810 0.672 18171 2619 1 8 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.211 -0.421 18171 2620 1 8 . 1 1 30 30 CYS H H 30 8.465 8.465 8.061 0.404 18171 2621 1 8 . 1 1 31 31 SER N N 31 114.366 114.366 114.554 -0.188 18171 2622 1 8 . 1 1 31 31 SER HA H 31 4.174 4.174 4.183 -0.009 18171 2623 1 8 . 1 1 31 31 SER C C 31 175.371 175.371 176.132 -0.761 18171 2624 1 8 . 1 1 31 31 SER CA C 31 60.932 60.932 60.979 -0.047 18171 2625 1 8 . 1 1 31 31 SER CB C 31 62.749 62.749 63.027 -0.278 18171 2626 1 8 . 1 1 31 31 SER H H 31 7.859 7.859 7.748 0.111 18171 2627 1 8 . 1 1 32 32 GLU N N 32 119.996 119.996 121.238 -1.242 18171 2628 1 8 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.229 -0.025 18171 2629 1 8 . 1 1 32 32 GLU C C 32 176.983 176.983 176.541 0.442 18171 2630 1 8 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.386 -0.414 18171 2631 1 8 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.508 -0.431 18171 2632 1 8 . 1 1 32 32 GLU H H 32 7.254 7.254 8.223 -0.969 18171 2633 1 8 . 1 1 33 33 ASN N N 33 113.026 113.026 112.098 0.928 18171 2634 1 8 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.890 0.083 18171 2635 1 8 . 1 1 33 33 ASN C C 33 173.504 173.504 173.122 0.382 18171 2636 1 8 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.884 -1.148 18171 2637 1 8 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.842 2.643 18171 2638 1 8 . 1 1 33 33 ASN H H 33 7.370 7.370 7.708 -0.338 18171 2639 1 8 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.223 0.351 18171 2640 1 8 . 1 1 34 34 PRO C C 34 178.270 178.270 177.222 1.048 18171 2641 1 8 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.117 -0.290 18171 2642 1 8 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.721 0.033 18171 2643 1 8 . 1 1 35 35 MET N N 35 115.258 115.258 115.701 -0.443 18171 2644 1 8 . 1 1 35 35 MET HA H 35 4.330 4.330 4.250 0.080 18171 2645 1 8 . 1 1 35 35 MET C C 35 178.569 178.569 176.715 1.854 18171 2646 1 8 . 1 1 35 35 MET CA C 35 57.050 57.050 55.870 1.180 18171 2647 1 8 . 1 1 35 35 MET CB C 35 31.300 31.300 31.630 -0.330 18171 2648 1 8 . 1 1 35 35 MET H H 35 7.962 7.962 7.979 -0.017 18171 2649 1 8 . 1 1 36 36 ASN N N 36 117.357 117.357 118.885 -1.528 18171 2650 1 8 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.353 0.220 18171 2651 1 8 . 1 1 36 36 ASN C C 36 176.470 176.470 177.322 -0.852 18171 2652 1 8 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.091 -0.965 18171 2653 1 8 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.620 0.822 18171 2654 1 8 . 1 1 36 36 ASN H H 36 8.462 8.462 8.417 0.045 18171 2655 1 8 . 1 1 37 37 ILE N N 37 121.622 121.622 121.071 0.551 18171 2656 1 8 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.866 0.244 18171 2657 1 8 . 1 1 37 37 ILE C C 37 177.331 177.331 176.961 0.370 18171 2658 1 8 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.142 -0.554 18171 2659 1 8 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.091 -0.076 18171 2660 1 8 . 1 1 37 37 ILE H H 37 7.820 7.820 7.504 0.316 18171 2661 1 8 . 1 1 38 38 MET N N 38 118.071 118.071 116.516 1.555 18171 2662 1 8 . 1 1 38 38 MET HA H 38 4.174 4.174 4.125 0.049 18171 2663 1 8 . 1 1 38 38 MET C C 38 178.456 178.456 177.538 0.918 18171 2664 1 8 . 1 1 38 38 MET CA C 38 57.563 57.563 57.316 0.247 18171 2665 1 8 . 1 1 38 38 MET CB C 38 31.533 31.533 31.449 0.084 18171 2666 1 8 . 1 1 38 38 MET H H 38 7.479 7.479 7.865 -0.386 18171 2667 1 8 . 1 1 39 39 LYS N N 39 117.427 117.427 118.330 -0.903 18171 2668 1 8 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.125 -0.178 18171 2669 1 8 . 1 1 39 39 LYS C C 39 177.456 177.456 178.510 -1.054 18171 2670 1 8 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.817 0.195 18171 2671 1 8 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.378 -1.605 18171 2672 1 8 . 1 1 39 39 LYS H H 39 7.580 7.580 7.435 0.145 18171 2673 1 8 . 1 1 40 40 TYR N N 40 116.049 116.049 118.718 -2.669 18171 2674 1 8 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.292 0.238 18171 2675 1 8 . 1 1 40 40 TYR C C 40 175.635 175.635 178.057 -2.422 18171 2676 1 8 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.602 -0.204 18171 2677 1 8 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.513 2.977 18171 2678 1 8 . 1 1 40 40 TYR H H 40 7.651 7.651 7.372 0.279 18171 2679 1 8 . 1 1 41 41 GLN N N 41 116.626 116.626 119.933 -3.307 18171 2680 1 8 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.073 0.260 18171 2681 1 8 . 1 1 41 41 GLN C C 41 175.887 175.887 176.804 -0.917 18171 2682 1 8 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.023 0.563 18171 2683 1 8 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.374 1.673 18171 2684 1 8 . 1 1 41 41 GLN H H 41 7.001 7.001 7.742 -0.741 18171 2685 1 8 . 1 1 42 42 ASN N N 42 114.491 114.491 115.426 -0.935 18171 2686 1 8 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.765 0.097 18171 2687 1 8 . 1 1 42 42 ASN C C 42 173.784 173.784 175.050 -1.266 18171 2688 1 8 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.246 -1.714 18171 2689 1 8 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.160 -0.572 18171 2690 1 8 . 1 1 42 42 ASN H H 42 8.281 8.281 7.663 0.618 18171 2691 1 8 . 1 1 43 43 ASP N N 43 122.981 122.981 122.036 0.945 18171 2692 1 8 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.772 -0.017 18171 2693 1 8 . 1 1 43 43 ASP C C 43 174.773 174.773 176.224 -1.451 18171 2694 1 8 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.868 -0.261 18171 2695 1 8 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.533 0.835 18171 2696 1 8 . 1 1 43 43 ASP H H 43 7.960 7.960 7.964 -0.004 18171 2697 1 8 . 1 1 44 44 LYS N N 44 125.893 125.893 125.420 0.473 18171 2698 1 8 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.864 -0.004 18171 2699 1 8 . 1 1 44 44 LYS C C 44 177.796 177.796 178.371 -0.575 18171 2700 1 8 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.937 -0.141 18171 2701 1 8 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.446 0.090 18171 2702 1 8 . 1 1 44 44 LYS H H 44 8.361 8.361 7.899 0.463 18171 2703 1 8 . 1 1 45 45 GLU N N 45 116.698 116.698 119.415 -2.717 18171 2704 1 8 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.105 -0.038 18171 2705 1 8 . 1 1 45 45 GLU C C 45 178.724 178.724 178.791 -0.067 18171 2706 1 8 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.418 0.037 18171 2707 1 8 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.154 0.603 18171 2708 1 8 . 1 1 45 45 GLU H H 45 8.127 8.127 7.906 0.221 18171 2709 1 8 . 1 1 46 46 VAL N N 46 117.476 117.476 119.948 -2.472 18171 2710 1 8 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.655 -0.241 18171 2711 1 8 . 1 1 46 46 VAL C C 46 177.879 177.879 178.180 -0.301 18171 2712 1 8 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.081 0.349 18171 2713 1 8 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.159 0.869 18171 2714 1 8 . 1 1 46 46 VAL H H 46 7.452 7.452 7.761 -0.309 18171 2715 1 8 . 1 1 47 47 MET N N 47 117.027 117.027 119.695 -2.668 18171 2716 1 8 . 1 1 47 47 MET HA H 47 4.479 4.479 4.131 0.348 18171 2717 1 8 . 1 1 47 47 MET C C 47 179.307 179.307 178.737 0.570 18171 2718 1 8 . 1 1 47 47 MET CA C 47 56.809 56.809 58.157 -1.349 18171 2719 1 8 . 1 1 47 47 MET CB C 47 30.371 30.371 31.126 -0.755 18171 2720 1 8 . 1 1 47 47 MET H H 47 8.542 8.542 8.087 0.455 18171 2721 1 8 . 1 1 48 48 ASP N N 48 119.811 119.811 119.684 0.127 18171 2722 1 8 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.429 0.063 18171 2723 1 8 . 1 1 48 48 ASP C C 48 179.136 179.136 179.303 -0.167 18171 2724 1 8 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.750 -0.179 18171 2725 1 8 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.945 -0.492 18171 2726 1 8 . 1 1 48 48 ASP H H 48 8.580 8.580 8.136 0.444 18171 2727 1 8 . 1 1 49 49 VAL N N 49 118.816 118.816 119.519 -0.703 18171 2728 1 8 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.814 -0.176 18171 2729 1 8 . 1 1 49 49 VAL C C 49 177.777 177.777 177.886 -0.109 18171 2730 1 8 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.534 -0.077 18171 2731 1 8 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.767 -0.701 18171 2732 1 8 . 1 1 49 49 VAL H H 49 7.319 7.319 7.569 -0.250 18171 2733 1 8 . 1 1 50 50 PHE N N 50 120.305 120.305 119.800 0.505 18171 2734 1 8 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.205 -0.069 18171 2735 1 8 . 1 1 50 50 PHE C C 50 178.505 178.505 178.277 0.228 18171 2736 1 8 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.635 -0.095 18171 2737 1 8 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.381 -0.072 18171 2738 1 8 . 1 1 50 50 PHE H H 50 8.529 8.529 9.216 -0.687 18171 2739 1 8 . 1 1 51 51 ASN N N 51 117.888 117.888 117.616 0.272 18171 2740 1 8 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.517 -0.102 18171 2741 1 8 . 1 1 51 51 ASN C C 51 177.863 177.863 177.034 0.829 18171 2742 1 8 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.288 0.880 18171 2743 1 8 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.387 -0.078 18171 2744 1 8 . 1 1 51 51 ASN H H 51 8.886 8.886 8.830 0.056 18171 2745 1 8 . 1 1 52 52 LYS N N 52 120.120 120.120 120.815 -0.695 18171 2746 1 8 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.204 -0.094 18171 2747 1 8 . 1 1 52 52 LYS C C 52 179.002 179.002 178.783 0.219 18171 2748 1 8 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.309 -0.335 18171 2749 1 8 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.508 -0.453 18171 2750 1 8 . 1 1 52 52 LYS H H 52 7.760 7.760 7.205 0.555 18171 2751 1 8 . 1 1 53 53 ILE N N 53 117.988 117.988 119.827 -1.839 18171 2752 1 8 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.465 0.292 18171 2753 1 8 . 1 1 53 53 ILE C C 53 177.686 177.686 176.699 0.987 18171 2754 1 8 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.061 0.980 18171 2755 1 8 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.193 0.474 18171 2756 1 8 . 1 1 53 53 ILE H H 53 8.400 8.400 8.551 -0.151 18171 2757 1 8 . 1 1 54 54 SER N N 54 114.267 114.267 112.175 2.092 18171 2758 1 8 . 1 1 54 54 SER HA H 54 4.050 4.050 4.253 -0.203 18171 2759 1 8 . 1 1 54 54 SER C C 54 175.690 175.690 175.519 0.171 18171 2760 1 8 . 1 1 54 54 SER CA C 54 61.417 61.417 60.292 1.125 18171 2761 1 8 . 1 1 54 54 SER CB C 54 62.922 62.922 63.917 -0.995 18171 2762 1 8 . 1 1 54 54 SER H H 54 8.042 8.042 7.664 0.378 18171 2763 1 8 . 1 1 55 55 GLN N N 55 118.045 118.045 119.502 -1.457 18171 2764 1 8 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.314 -0.174 18171 2765 1 8 . 1 1 55 55 GLN C C 55 177.193 177.193 177.860 -0.667 18171 2766 1 8 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.917 -0.835 18171 2767 1 8 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.352 -0.632 18171 2768 1 8 . 1 1 55 55 GLN H H 55 7.415 7.415 7.553 -0.138 18171 2769 1 8 . 1 1 56 56 LEU N N 56 118.492 118.492 119.059 -0.567 18171 2770 1 8 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.215 -0.182 18171 2771 1 8 . 1 1 56 56 LEU C C 56 176.578 176.578 176.454 0.124 18171 2772 1 8 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.950 -0.045 18171 2773 1 8 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.135 0.414 18171 2774 1 8 . 1 1 56 56 LEU H H 56 7.732 7.732 8.220 -0.488 18171 2775 1 8 . 1 1 57 57 PHE N N 57 116.774 116.774 115.678 1.096 18171 2776 1 8 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.973 -0.081 18171 2777 1 8 . 1 1 57 57 PHE C C 57 173.125 173.125 174.586 -1.461 18171 2778 1 8 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.568 0.643 18171 2779 1 8 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.510 0.513 18171 2780 1 8 . 1 1 57 57 PHE H H 57 7.629 7.629 7.991 -0.362 18171 2781 1 8 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.265 0.215 18171 2782 1 8 . 1 1 58 58 PRO C C 58 178.090 178.090 177.206 0.884 18171 2783 1 8 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.769 -0.797 18171 2784 1 8 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.059 -1.132 18171 2785 1 8 . 1 1 59 59 GLY N N 59 108.335 108.335 102.948 5.387 18171 2786 1 8 . 1 1 59 59 GLY C C 59 174.930 174.930 173.316 1.614 18171 2787 1 8 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.918 0.466 18171 2788 1 8 . 1 1 59 59 GLY H H 59 8.411 8.411 7.851 0.560 18171 2789 1 8 . 1 1 60 60 MET N N 60 119.206 119.206 118.776 0.430 18171 2790 1 8 . 1 1 60 60 MET HA H 60 4.467 4.467 4.299 0.168 18171 2791 1 8 . 1 1 60 60 MET C C 60 176.320 176.320 175.985 0.335 18171 2792 1 8 . 1 1 60 60 MET CA C 60 56.395 56.395 55.315 1.081 18171 2793 1 8 . 1 1 60 60 MET CB C 60 32.964 32.964 31.445 1.519 18171 2794 1 8 . 1 1 60 60 MET H H 60 8.053 8.053 7.965 0.088 18171 2795 1 8 . 1 1 61 61 THR N N 61 111.041 111.041 115.645 -4.604 18171 2796 1 8 . 1 1 61 61 THR HA H 61 4.402 4.402 4.306 0.096 18171 2797 1 8 . 1 1 61 61 THR C C 61 173.976 173.976 175.299 -1.323 18171 2798 1 8 . 1 1 61 61 THR CA C 61 61.233 61.233 62.593 -1.360 18171 2799 1 8 . 1 1 61 61 THR CB C 61 70.120 70.120 68.398 1.722 18171 2800 1 8 . 1 1 61 61 THR H H 61 7.880 7.880 8.254 -0.374 18171 2801 1 9 . 1 1 2 2 GLU N N 2 115.081 115.081 121.566 -6.485 18171 2802 1 9 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.061 -0.201 18171 2803 1 9 . 1 1 2 2 GLU C C 2 179.259 179.259 178.676 0.583 18171 2804 1 9 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.210 1.150 18171 2805 1 9 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.003 -0.277 18171 2806 1 9 . 1 1 2 2 GLU H H 2 8.756 8.756 8.984 -0.228 18171 2807 1 9 . 1 1 3 3 GLU N N 3 120.051 120.051 118.659 1.392 18171 2808 1 9 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.057 -0.041 18171 2809 1 9 . 1 1 3 3 GLU C C 3 178.863 178.863 178.609 0.254 18171 2810 1 9 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.395 -0.390 18171 2811 1 9 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.299 1.066 18171 2812 1 9 . 1 1 3 3 GLU H H 3 7.722 7.722 8.507 -0.785 18171 2813 1 9 . 1 1 4 4 VAL N N 4 120.223 120.223 119.554 0.669 18171 2814 1 9 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.717 -0.208 18171 2815 1 9 . 1 1 4 4 VAL C C 4 177.687 177.687 178.404 -0.717 18171 2816 1 9 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.594 1.073 18171 2817 1 9 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.857 -0.316 18171 2818 1 9 . 1 1 4 4 VAL H H 4 7.815 7.815 7.452 0.363 18171 2819 1 9 . 1 1 5 5 ILE N N 5 118.475 118.475 119.956 -1.481 18171 2820 1 9 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.585 -0.085 18171 2821 1 9 . 1 1 5 5 ILE C C 5 177.638 177.638 177.735 -0.097 18171 2822 1 9 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.215 -0.854 18171 2823 1 9 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.134 0.002 18171 2824 1 9 . 1 1 5 5 ILE H H 5 8.293 8.293 8.242 0.051 18171 2825 1 9 . 1 1 6 6 SER N N 6 113.327 113.327 114.907 -1.580 18171 2826 1 9 . 1 1 6 6 SER HA H 6 4.034 4.034 4.224 -0.190 18171 2827 1 9 . 1 1 6 6 SER C C 6 176.398 176.398 176.148 0.250 18171 2828 1 9 . 1 1 6 6 SER CA C 6 61.781 61.781 61.052 0.729 18171 2829 1 9 . 1 1 6 6 SER CB C 6 62.770 62.770 62.994 -0.224 18171 2830 1 9 . 1 1 6 6 SER H H 6 7.740 7.740 7.811 -0.071 18171 2831 1 9 . 1 1 7 7 LYS N N 7 119.755 119.755 121.287 -1.532 18171 2832 1 9 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.130 0.013 18171 2833 1 9 . 1 1 7 7 LYS C C 7 179.622 179.622 178.785 0.837 18171 2834 1 9 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.410 -0.404 18171 2835 1 9 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.801 -0.059 18171 2836 1 9 . 1 1 7 7 LYS H H 7 7.523 7.523 7.836 -0.313 18171 2837 1 9 . 1 1 8 8 ILE N N 8 119.544 119.544 120.805 -1.261 18171 2838 1 9 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.600 0.043 18171 2839 1 9 . 1 1 8 8 ILE C C 8 177.510 177.510 177.056 0.454 18171 2840 1 9 . 1 1 8 8 ILE CA C 8 65.180 65.180 64.361 0.819 18171 2841 1 9 . 1 1 8 8 ILE CB C 8 37.461 37.461 37.805 -0.344 18171 2842 1 9 . 1 1 8 8 ILE H H 8 8.132 8.132 7.279 0.853 18171 2843 1 9 . 1 1 9 9 MET N N 9 114.616 114.616 118.177 -3.561 18171 2844 1 9 . 1 1 9 9 MET HA H 9 4.104 4.104 4.081 0.023 18171 2845 1 9 . 1 1 9 9 MET C C 9 177.018 177.018 176.743 0.275 18171 2846 1 9 . 1 1 9 9 MET CA C 9 56.601 56.601 57.447 -0.846 18171 2847 1 9 . 1 1 9 9 MET CB C 9 31.479 31.479 31.812 -0.333 18171 2848 1 9 . 1 1 9 9 MET H H 9 7.835 7.835 7.548 0.287 18171 2849 1 9 . 1 1 10 10 GLU N N 10 116.206 116.206 119.547 -3.341 18171 2850 1 9 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.099 0.053 18171 2851 1 9 . 1 1 10 10 GLU C C 10 176.263 176.263 177.254 -0.991 18171 2852 1 9 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.896 -0.813 18171 2853 1 9 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.756 0.254 18171 2854 1 9 . 1 1 10 10 GLU H H 10 7.318 7.318 7.726 -0.408 18171 2855 1 9 . 1 1 11 11 ASN N N 11 119.007 119.007 119.319 -0.312 18171 2856 1 9 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.142 -0.001 18171 2857 1 9 . 1 1 11 11 ASN C C 11 173.093 173.093 173.467 -0.374 18171 2858 1 9 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.004 0.705 18171 2859 1 9 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.844 1.256 18171 2860 1 9 . 1 1 11 11 ASN H H 11 7.707 7.707 7.725 -0.018 18171 2861 1 9 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.067 0.216 18171 2862 1 9 . 1 1 12 12 PRO C C 12 177.932 177.932 177.707 0.225 18171 2863 1 9 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.249 -0.021 18171 2864 1 9 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.727 0.281 18171 2865 1 9 . 1 1 13 13 ASP N N 13 116.410 116.410 117.003 -0.593 18171 2866 1 9 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.481 -0.056 18171 2867 1 9 . 1 1 13 13 ASP C C 13 178.456 178.456 178.474 -0.018 18171 2868 1 9 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.090 -0.281 18171 2869 1 9 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.791 -0.852 18171 2870 1 9 . 1 1 13 13 ASP H H 13 8.218 8.218 8.436 -0.218 18171 2871 1 9 . 1 1 14 14 VAL N N 14 120.053 120.053 120.254 -0.201 18171 2872 1 9 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.863 -0.081 18171 2873 1 9 . 1 1 14 14 VAL C C 14 177.045 177.045 177.907 -0.862 18171 2874 1 9 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.272 -0.922 18171 2875 1 9 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.127 0.634 18171 2876 1 9 . 1 1 14 14 VAL H H 14 7.722 7.722 8.191 -0.469 18171 2877 1 9 . 1 1 15 15 ALA N N 15 121.814 121.814 123.093 -1.279 18171 2878 1 9 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.799 0.123 18171 2879 1 9 . 1 1 15 15 ALA C C 15 180.315 180.315 179.507 0.808 18171 2880 1 9 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.241 0.413 18171 2881 1 9 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.231 -0.054 18171 2882 1 9 . 1 1 15 15 ALA H H 15 8.245 8.245 7.736 0.509 18171 2883 1 9 . 1 1 16 16 MET N N 16 114.438 114.438 116.031 -1.593 18171 2884 1 9 . 1 1 16 16 MET HA H 16 4.234 4.234 4.598 -0.364 18171 2885 1 9 . 1 1 16 16 MET C C 16 178.930 178.930 179.210 -0.280 18171 2886 1 9 . 1 1 16 16 MET CA C 16 58.011 58.011 56.988 1.023 18171 2887 1 9 . 1 1 16 16 MET CB C 16 32.027 32.027 32.226 -0.199 18171 2888 1 9 . 1 1 16 16 MET H H 16 7.878 7.878 7.824 0.054 18171 2889 1 9 . 1 1 17 17 ALA N N 17 123.280 123.280 123.815 -0.535 18171 2890 1 9 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.189 -0.011 18171 2891 1 9 . 1 1 17 17 ALA C C 17 179.091 179.091 179.761 -0.670 18171 2892 1 9 . 1 1 17 17 ALA CA C 17 54.563 54.563 55.008 -0.445 18171 2893 1 9 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.057 0.334 18171 2894 1 9 . 1 1 17 17 ALA H H 17 7.647 7.647 7.991 -0.344 18171 2895 1 9 . 1 1 18 18 PHE N N 18 114.808 114.808 115.829 -1.021 18171 2896 1 9 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.219 -0.101 18171 2897 1 9 . 1 1 18 18 PHE C C 18 175.169 175.169 176.454 -1.285 18171 2898 1 9 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.606 -1.172 18171 2899 1 9 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.654 0.389 18171 2900 1 9 . 1 1 18 18 PHE H H 18 8.032 8.032 8.579 -0.547 18171 2901 1 9 . 1 1 19 19 GLN N N 19 114.221 114.221 117.112 -2.891 18171 2902 1 9 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.355 -0.288 18171 2903 1 9 . 1 1 19 19 GLN C C 19 175.843 175.843 175.486 0.357 18171 2904 1 9 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.519 0.628 18171 2905 1 9 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.767 -0.147 18171 2906 1 9 . 1 1 19 19 GLN H H 19 7.414 7.414 7.600 -0.186 18171 2907 1 9 . 1 1 20 20 ASN N N 20 119.994 119.994 119.378 0.616 18171 2908 1 9 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.194 -0.311 18171 2909 1 9 . 1 1 20 20 ASN C C 20 174.726 174.726 174.022 0.704 18171 2910 1 9 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.365 0.236 18171 2911 1 9 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.584 -1.327 18171 2912 1 9 . 1 1 20 20 ASN H H 20 7.497 7.497 7.983 -0.486 18171 2913 1 9 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.355 -0.166 18171 2914 1 9 . 1 1 21 21 PRO C C 21 178.747 178.747 178.169 0.578 18171 2915 1 9 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.688 -0.642 18171 2916 1 9 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.058 0.063 18171 2917 1 9 . 1 1 22 22 ARG N N 22 117.899 117.899 118.624 -0.725 18171 2918 1 9 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.052 0.041 18171 2919 1 9 . 1 1 22 22 ARG C C 22 178.827 178.827 178.565 0.262 18171 2920 1 9 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.395 0.591 18171 2921 1 9 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.913 1.518 18171 2922 1 9 . 1 1 22 22 ARG H H 22 8.066 8.066 8.782 -0.716 18171 2923 1 9 . 1 1 23 23 VAL N N 23 119.694 119.694 120.399 -0.705 18171 2924 1 9 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.635 -0.251 18171 2925 1 9 . 1 1 23 23 VAL C C 23 177.319 177.319 177.605 -0.286 18171 2926 1 9 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.340 -0.592 18171 2927 1 9 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.271 0.250 18171 2928 1 9 . 1 1 23 23 VAL H H 23 7.199 7.199 7.490 -0.291 18171 2929 1 9 . 1 1 24 24 GLN N N 24 117.842 117.842 119.619 -1.777 18171 2930 1 9 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.773 -0.140 18171 2931 1 9 . 1 1 24 24 GLN C C 24 177.902 177.902 178.170 -0.268 18171 2932 1 9 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.236 0.433 18171 2933 1 9 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.598 -0.578 18171 2934 1 9 . 1 1 24 24 GLN H H 24 7.790 7.790 8.177 -0.387 18171 2935 1 9 . 1 1 25 25 ALA N N 25 119.267 119.267 120.806 -1.539 18171 2936 1 9 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.140 -0.094 18171 2937 1 9 . 1 1 25 25 ALA C C 25 179.854 179.854 179.225 0.629 18171 2938 1 9 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.494 0.552 18171 2939 1 9 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.980 -0.156 18171 2940 1 9 . 1 1 25 25 ALA H H 25 7.808 7.808 8.350 -0.542 18171 2941 1 9 . 1 1 26 26 ALA N N 26 120.738 120.738 122.364 -1.626 18171 2942 1 9 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.712 0.209 18171 2943 1 9 . 1 1 26 26 ALA C C 26 179.988 179.988 179.642 0.346 18171 2944 1 9 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.518 0.681 18171 2945 1 9 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.349 -0.178 18171 2946 1 9 . 1 1 26 26 ALA H H 26 7.500 7.500 7.451 0.049 18171 2947 1 9 . 1 1 27 27 LEU N N 27 118.511 118.511 119.083 -0.572 18171 2948 1 9 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.132 -0.219 18171 2949 1 9 . 1 1 27 27 LEU C C 27 179.923 179.923 178.996 0.927 18171 2950 1 9 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.720 0.339 18171 2951 1 9 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.876 -0.948 18171 2952 1 9 . 1 1 27 27 LEU H H 27 8.324 8.324 8.566 -0.242 18171 2953 1 9 . 1 1 28 28 MET N N 28 118.681 118.681 117.923 0.758 18171 2954 1 9 . 1 1 28 28 MET HA H 28 4.144 4.144 4.092 0.052 18171 2955 1 9 . 1 1 28 28 MET C C 28 179.635 179.635 178.410 1.225 18171 2956 1 9 . 1 1 28 28 MET CA C 28 58.734 58.734 58.070 0.664 18171 2957 1 9 . 1 1 28 28 MET CB C 28 31.901 31.901 32.277 -0.376 18171 2958 1 9 . 1 1 28 28 MET H H 28 8.127 8.127 8.207 -0.080 18171 2959 1 9 . 1 1 29 29 GLU N N 29 119.813 119.813 118.358 1.455 18171 2960 1 9 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.146 0.080 18171 2961 1 9 . 1 1 29 29 GLU C C 29 180.544 180.544 179.009 1.535 18171 2962 1 9 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.668 1.028 18171 2963 1 9 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.902 -0.225 18171 2964 1 9 . 1 1 29 29 GLU H H 29 8.302 8.302 8.227 0.075 18171 2965 1 9 . 1 1 30 30 CYS N N 30 118.465 118.465 119.684 -1.219 18171 2966 1 9 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.494 -0.041 18171 2967 1 9 . 1 1 30 30 CYS C C 30 175.357 175.357 176.043 -0.686 18171 2968 1 9 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.853 0.629 18171 2969 1 9 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.870 -0.080 18171 2970 1 9 . 1 1 30 30 CYS H H 30 8.465 8.465 8.139 0.326 18171 2971 1 9 . 1 1 31 31 SER N N 31 114.366 114.366 114.679 -0.313 18171 2972 1 9 . 1 1 31 31 SER HA H 31 4.174 4.174 4.220 -0.046 18171 2973 1 9 . 1 1 31 31 SER C C 31 175.371 175.371 176.160 -0.789 18171 2974 1 9 . 1 1 31 31 SER CA C 31 60.932 60.932 60.927 0.005 18171 2975 1 9 . 1 1 31 31 SER CB C 31 62.749 62.749 62.830 -0.081 18171 2976 1 9 . 1 1 31 31 SER H H 31 7.859 7.859 7.744 0.115 18171 2977 1 9 . 1 1 32 32 GLU N N 32 119.996 119.996 121.332 -1.336 18171 2978 1 9 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.210 -0.006 18171 2979 1 9 . 1 1 32 32 GLU C C 32 176.983 176.983 176.977 0.006 18171 2980 1 9 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.344 -0.372 18171 2981 1 9 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.405 -0.328 18171 2982 1 9 . 1 1 32 32 GLU H H 32 7.254 7.254 8.000 -0.746 18171 2983 1 9 . 1 1 33 33 ASN N N 33 113.026 113.026 112.374 0.652 18171 2984 1 9 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.847 0.126 18171 2985 1 9 . 1 1 33 33 ASN C C 33 173.504 173.504 173.079 0.425 18171 2986 1 9 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.451 -1.715 18171 2987 1 9 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.685 -0.200 18171 2988 1 9 . 1 1 33 33 ASN H H 33 7.370 7.370 7.534 -0.164 18171 2989 1 9 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.334 0.240 18171 2990 1 9 . 1 1 34 34 PRO C C 34 178.270 178.270 177.246 1.024 18171 2991 1 9 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.009 -0.182 18171 2992 1 9 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.026 -0.273 18171 2993 1 9 . 1 1 35 35 MET N N 35 115.258 115.258 113.070 2.188 18171 2994 1 9 . 1 1 35 35 MET HA H 35 4.330 4.330 4.217 0.113 18171 2995 1 9 . 1 1 35 35 MET C C 35 178.569 178.569 176.648 1.921 18171 2996 1 9 . 1 1 35 35 MET CA C 35 57.050 57.050 56.732 0.318 18171 2997 1 9 . 1 1 35 35 MET CB C 35 31.300 31.300 31.007 0.293 18171 2998 1 9 . 1 1 35 35 MET H H 35 7.962 7.962 7.787 0.175 18171 2999 1 9 . 1 1 36 36 ASN N N 36 117.357 117.357 118.504 -1.147 18171 3000 1 9 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.581 -0.008 18171 3001 1 9 . 1 1 36 36 ASN C C 36 176.470 176.470 177.687 -1.217 18171 3002 1 9 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.411 -0.285 18171 3003 1 9 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.673 0.769 18171 3004 1 9 . 1 1 36 36 ASN H H 36 8.462 8.462 8.105 0.357 18171 3005 1 9 . 1 1 37 37 ILE N N 37 121.622 121.622 122.882 -1.260 18171 3006 1 9 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.813 0.297 18171 3007 1 9 . 1 1 37 37 ILE C C 37 177.331 177.331 176.892 0.439 18171 3008 1 9 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.130 -0.542 18171 3009 1 9 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.785 0.230 18171 3010 1 9 . 1 1 37 37 ILE H H 37 7.820 7.820 7.454 0.366 18171 3011 1 9 . 1 1 38 38 MET N N 38 118.071 118.071 116.067 2.004 18171 3012 1 9 . 1 1 38 38 MET HA H 38 4.174 4.174 4.074 0.100 18171 3013 1 9 . 1 1 38 38 MET C C 38 178.456 178.456 177.339 1.117 18171 3014 1 9 . 1 1 38 38 MET CA C 38 57.563 57.563 57.253 0.310 18171 3015 1 9 . 1 1 38 38 MET CB C 38 31.533 31.533 31.454 0.079 18171 3016 1 9 . 1 1 38 38 MET H H 38 7.479 7.479 7.626 -0.147 18171 3017 1 9 . 1 1 39 39 LYS N N 39 117.427 117.427 116.154 1.273 18171 3018 1 9 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.162 -0.215 18171 3019 1 9 . 1 1 39 39 LYS C C 39 177.456 177.456 177.452 0.004 18171 3020 1 9 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.002 1.010 18171 3021 1 9 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.826 -2.053 18171 3022 1 9 . 1 1 39 39 LYS H H 39 7.580 7.580 7.662 -0.082 18171 3023 1 9 . 1 1 40 40 TYR N N 40 116.049 116.049 119.101 -3.052 18171 3024 1 9 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.860 -0.330 18171 3025 1 9 . 1 1 40 40 TYR C C 40 175.635 175.635 176.359 -0.724 18171 3026 1 9 . 1 1 40 40 TYR CA C 40 58.398 58.398 57.523 0.875 18171 3027 1 9 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.095 2.395 18171 3028 1 9 . 1 1 40 40 TYR H H 40 7.651 7.651 7.115 0.536 18171 3029 1 9 . 1 1 41 41 GLN N N 41 116.626 116.626 117.356 -0.730 18171 3030 1 9 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.992 0.341 18171 3031 1 9 . 1 1 41 41 GLN C C 41 175.887 175.887 176.701 -0.814 18171 3032 1 9 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.340 0.246 18171 3033 1 9 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.583 0.464 18171 3034 1 9 . 1 1 41 41 GLN H H 41 7.001 7.001 7.666 -0.665 18171 3035 1 9 . 1 1 42 42 ASN N N 42 114.491 114.491 113.994 0.497 18171 3036 1 9 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.603 0.259 18171 3037 1 9 . 1 1 42 42 ASN C C 42 173.784 173.784 175.323 -1.539 18171 3038 1 9 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.418 -0.886 18171 3039 1 9 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.560 0.028 18171 3040 1 9 . 1 1 42 42 ASN H H 42 8.281 8.281 7.842 0.439 18171 3041 1 9 . 1 1 43 43 ASP N N 43 122.981 122.981 121.841 1.140 18171 3042 1 9 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.653 0.102 18171 3043 1 9 . 1 1 43 43 ASP C C 43 174.773 174.773 176.467 -1.694 18171 3044 1 9 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.779 -1.172 18171 3045 1 9 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.775 0.594 18171 3046 1 9 . 1 1 43 43 ASP H H 43 7.960 7.960 7.527 0.433 18171 3047 1 9 . 1 1 44 44 LYS N N 44 125.893 125.893 127.727 -1.834 18171 3048 1 9 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.897 -0.037 18171 3049 1 9 . 1 1 44 44 LYS C C 44 177.796 177.796 178.296 -0.500 18171 3050 1 9 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.580 0.216 18171 3051 1 9 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.544 -0.008 18171 3052 1 9 . 1 1 44 44 LYS H H 44 8.361 8.361 8.109 0.252 18171 3053 1 9 . 1 1 45 45 GLU N N 45 116.698 116.698 118.309 -1.611 18171 3054 1 9 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.118 -0.051 18171 3055 1 9 . 1 1 45 45 GLU C C 45 178.724 178.724 178.971 -0.247 18171 3056 1 9 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.471 -0.016 18171 3057 1 9 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.250 0.507 18171 3058 1 9 . 1 1 45 45 GLU H H 45 8.127 8.127 7.964 0.163 18171 3059 1 9 . 1 1 46 46 VAL N N 46 117.476 117.476 119.599 -2.123 18171 3060 1 9 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.761 -0.347 18171 3061 1 9 . 1 1 46 46 VAL C C 46 177.879 177.879 178.032 -0.153 18171 3062 1 9 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.244 0.186 18171 3063 1 9 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.589 0.439 18171 3064 1 9 . 1 1 46 46 VAL H H 46 7.452 7.452 7.609 -0.157 18171 3065 1 9 . 1 1 47 47 MET N N 47 117.027 117.027 120.427 -3.400 18171 3066 1 9 . 1 1 47 47 MET HA H 47 4.479 4.479 4.054 0.425 18171 3067 1 9 . 1 1 47 47 MET C C 47 179.307 179.307 178.551 0.756 18171 3068 1 9 . 1 1 47 47 MET CA C 47 56.809 56.809 60.079 -3.270 18171 3069 1 9 . 1 1 47 47 MET CB C 47 30.371 30.371 32.148 -1.776 18171 3070 1 9 . 1 1 47 47 MET H H 47 8.542 8.542 8.160 0.382 18171 3071 1 9 . 1 1 48 48 ASP N N 48 119.811 119.811 119.366 0.445 18171 3072 1 9 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.443 0.049 18171 3073 1 9 . 1 1 48 48 ASP C C 48 179.136 179.136 179.198 -0.062 18171 3074 1 9 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.790 -0.219 18171 3075 1 9 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.447 0.006 18171 3076 1 9 . 1 1 48 48 ASP H H 48 8.580 8.580 8.158 0.422 18171 3077 1 9 . 1 1 49 49 VAL N N 49 118.816 118.816 120.112 -1.296 18171 3078 1 9 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.775 -0.137 18171 3079 1 9 . 1 1 49 49 VAL C C 49 177.777 177.777 177.606 0.171 18171 3080 1 9 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.335 0.122 18171 3081 1 9 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.902 -0.836 18171 3082 1 9 . 1 1 49 49 VAL H H 49 7.319 7.319 7.610 -0.291 18171 3083 1 9 . 1 1 50 50 PHE N N 50 120.305 120.305 119.222 1.083 18171 3084 1 9 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.241 -0.105 18171 3085 1 9 . 1 1 50 50 PHE C C 50 178.505 178.505 178.111 0.394 18171 3086 1 9 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.530 -0.990 18171 3087 1 9 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.973 -0.664 18171 3088 1 9 . 1 1 50 50 PHE H H 50 8.529 8.529 9.083 -0.554 18171 3089 1 9 . 1 1 51 51 ASN N N 51 117.888 117.888 118.050 -0.162 18171 3090 1 9 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.540 -0.125 18171 3091 1 9 . 1 1 51 51 ASN C C 51 177.863 177.863 177.145 0.718 18171 3092 1 9 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.084 0.084 18171 3093 1 9 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.725 -0.416 18171 3094 1 9 . 1 1 51 51 ASN H H 51 8.886 8.886 8.622 0.264 18171 3095 1 9 . 1 1 52 52 LYS N N 52 120.120 120.120 121.205 -1.085 18171 3096 1 9 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.042 0.068 18171 3097 1 9 . 1 1 52 52 LYS C C 52 179.002 179.002 178.337 0.665 18171 3098 1 9 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.258 -0.284 18171 3099 1 9 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.260 -0.205 18171 3100 1 9 . 1 1 52 52 LYS H H 52 7.760 7.760 7.093 0.667 18171 3101 1 9 . 1 1 53 53 ILE N N 53 117.988 117.988 119.729 -1.741 18171 3102 1 9 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.464 0.293 18171 3103 1 9 . 1 1 53 53 ILE C C 53 177.686 177.686 177.572 0.114 18171 3104 1 9 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.870 0.171 18171 3105 1 9 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.791 -0.124 18171 3106 1 9 . 1 1 53 53 ILE H H 53 8.400 8.400 8.618 -0.218 18171 3107 1 9 . 1 1 54 54 SER N N 54 114.267 114.267 115.097 -0.830 18171 3108 1 9 . 1 1 54 54 SER HA H 54 4.050 4.050 4.402 -0.352 18171 3109 1 9 . 1 1 54 54 SER C C 54 175.690 175.690 176.744 -1.054 18171 3110 1 9 . 1 1 54 54 SER CA C 54 61.417 61.417 61.303 0.114 18171 3111 1 9 . 1 1 54 54 SER CB C 54 62.922 62.922 63.104 -0.182 18171 3112 1 9 . 1 1 54 54 SER H H 54 8.042 8.042 7.733 0.309 18171 3113 1 9 . 1 1 55 55 GLN N N 55 118.045 118.045 120.681 -2.636 18171 3114 1 9 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.073 0.067 18171 3115 1 9 . 1 1 55 55 GLN C C 55 177.193 177.193 177.906 -0.713 18171 3116 1 9 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.079 -0.997 18171 3117 1 9 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.739 -0.019 18171 3118 1 9 . 1 1 55 55 GLN H H 55 7.415 7.415 7.590 -0.175 18171 3119 1 9 . 1 1 56 56 LEU N N 56 118.492 118.492 117.558 0.934 18171 3120 1 9 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.119 -0.086 18171 3121 1 9 . 1 1 56 56 LEU C C 56 176.578 176.578 176.566 0.012 18171 3122 1 9 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.019 -0.114 18171 3123 1 9 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.706 -0.157 18171 3124 1 9 . 1 1 56 56 LEU H H 56 7.732 7.732 7.799 -0.067 18171 3125 1 9 . 1 1 57 57 PHE N N 57 116.774 116.774 115.994 0.780 18171 3126 1 9 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.967 -0.075 18171 3127 1 9 . 1 1 57 57 PHE C C 57 173.125 173.125 174.741 -1.616 18171 3128 1 9 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.599 1.612 18171 3129 1 9 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.000 1.023 18171 3130 1 9 . 1 1 57 57 PHE H H 57 7.629 7.629 7.323 0.306 18171 3131 1 9 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.367 0.113 18171 3132 1 9 . 1 1 58 58 PRO C C 58 178.090 178.090 176.947 1.143 18171 3133 1 9 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.500 -0.528 18171 3134 1 9 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.686 -0.759 18171 3135 1 9 . 1 1 59 59 GLY N N 59 108.335 108.335 107.007 1.328 18171 3136 1 9 . 1 1 59 59 GLY C C 59 174.930 174.930 173.320 1.610 18171 3137 1 9 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.366 0.018 18171 3138 1 9 . 1 1 59 59 GLY H H 59 8.411 8.411 8.337 0.074 18171 3139 1 9 . 1 1 60 60 MET N N 60 119.206 119.206 122.267 -3.061 18171 3140 1 9 . 1 1 60 60 MET HA H 60 4.467 4.467 4.577 -0.110 18171 3141 1 9 . 1 1 60 60 MET C C 60 176.320 176.320 174.736 1.584 18171 3142 1 9 . 1 1 60 60 MET CA C 60 56.395 56.395 55.855 0.540 18171 3143 1 9 . 1 1 60 60 MET CB C 60 32.964 32.964 32.614 0.350 18171 3144 1 9 . 1 1 60 60 MET H H 60 8.053 8.053 7.694 0.359 18171 3145 1 9 . 1 1 61 61 THR N N 61 111.041 111.041 117.271 -6.230 18171 3146 1 9 . 1 1 61 61 THR HA H 61 4.402 4.402 4.317 0.085 18171 3147 1 9 . 1 1 61 61 THR C C 61 173.976 173.976 175.637 -1.661 18171 3148 1 9 . 1 1 61 61 THR CA C 61 61.233 61.233 61.780 -0.547 18171 3149 1 9 . 1 1 61 61 THR CB C 61 70.120 70.120 67.744 2.376 18171 3150 1 9 . 1 1 61 61 THR H H 61 7.880 7.880 8.509 -0.629 18171 3151 1 10 . 1 1 2 2 GLU N N 2 115.081 115.081 121.558 -6.477 18171 3152 1 10 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.079 -0.219 18171 3153 1 10 . 1 1 2 2 GLU C C 2 179.259 179.259 178.654 0.605 18171 3154 1 10 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.177 1.183 18171 3155 1 10 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.044 -0.318 18171 3156 1 10 . 1 1 2 2 GLU H H 2 8.756 8.756 8.993 -0.237 18171 3157 1 10 . 1 1 3 3 GLU N N 3 120.051 120.051 119.323 0.728 18171 3158 1 10 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.070 -0.054 18171 3159 1 10 . 1 1 3 3 GLU C C 3 178.863 178.863 178.481 0.382 18171 3160 1 10 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.366 -0.360 18171 3161 1 10 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.358 1.007 18171 3162 1 10 . 1 1 3 3 GLU H H 3 7.722 7.722 8.557 -0.835 18171 3163 1 10 . 1 1 4 4 VAL N N 4 120.223 120.223 118.769 1.454 18171 3164 1 10 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.699 -0.190 18171 3165 1 10 . 1 1 4 4 VAL C C 4 177.687 177.687 178.408 -0.721 18171 3166 1 10 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.907 0.760 18171 3167 1 10 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.907 -0.366 18171 3168 1 10 . 1 1 4 4 VAL H H 4 7.815 7.815 7.377 0.438 18171 3169 1 10 . 1 1 5 5 ILE N N 5 118.475 118.475 119.036 -0.561 18171 3170 1 10 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.590 -0.090 18171 3171 1 10 . 1 1 5 5 ILE C C 5 177.638 177.638 177.973 -0.335 18171 3172 1 10 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.917 -0.556 18171 3173 1 10 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.309 -0.173 18171 3174 1 10 . 1 1 5 5 ILE H H 5 8.293 8.293 8.085 0.208 18171 3175 1 10 . 1 1 6 6 SER N N 6 113.327 113.327 114.883 -1.556 18171 3176 1 10 . 1 1 6 6 SER HA H 6 4.034 4.034 4.238 -0.204 18171 3177 1 10 . 1 1 6 6 SER C C 6 176.398 176.398 176.316 0.082 18171 3178 1 10 . 1 1 6 6 SER CA C 6 61.781 61.781 61.334 0.447 18171 3179 1 10 . 1 1 6 6 SER CB C 6 62.770 62.770 62.841 -0.071 18171 3180 1 10 . 1 1 6 6 SER H H 6 7.740 7.740 7.880 -0.140 18171 3181 1 10 . 1 1 7 7 LYS N N 7 119.755 119.755 122.363 -2.608 18171 3182 1 10 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.212 -0.069 18171 3183 1 10 . 1 1 7 7 LYS C C 7 179.622 179.622 178.682 0.940 18171 3184 1 10 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.755 -0.749 18171 3185 1 10 . 1 1 7 7 LYS CB C 7 31.742 31.742 32.539 -0.797 18171 3186 1 10 . 1 1 7 7 LYS H H 7 7.523 7.523 7.848 -0.325 18171 3187 1 10 . 1 1 8 8 ILE N N 8 119.544 119.544 120.166 -0.622 18171 3188 1 10 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.700 -0.057 18171 3189 1 10 . 1 1 8 8 ILE C C 8 177.510 177.510 177.828 -0.318 18171 3190 1 10 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.601 1.579 18171 3191 1 10 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.072 1.389 18171 3192 1 10 . 1 1 8 8 ILE H H 8 8.132 8.132 8.110 0.022 18171 3193 1 10 . 1 1 9 9 MET N N 9 114.616 114.616 118.185 -3.569 18171 3194 1 10 . 1 1 9 9 MET HA H 9 4.104 4.104 4.227 -0.123 18171 3195 1 10 . 1 1 9 9 MET C C 9 177.018 177.018 177.090 -0.072 18171 3196 1 10 . 1 1 9 9 MET CA C 9 56.601 56.601 57.376 -0.775 18171 3197 1 10 . 1 1 9 9 MET CB C 9 31.479 31.479 31.624 -0.145 18171 3198 1 10 . 1 1 9 9 MET H H 9 7.835 7.835 7.660 0.175 18171 3199 1 10 . 1 1 10 10 GLU N N 10 116.206 116.206 119.000 -2.794 18171 3200 1 10 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.085 0.067 18171 3201 1 10 . 1 1 10 10 GLU C C 10 176.263 176.263 177.036 -0.773 18171 3202 1 10 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.042 0.041 18171 3203 1 10 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.837 0.173 18171 3204 1 10 . 1 1 10 10 GLU H H 10 7.318 7.318 8.600 -1.282 18171 3205 1 10 . 1 1 11 11 ASN N N 11 119.007 119.007 118.168 0.839 18171 3206 1 10 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.098 0.043 18171 3207 1 10 . 1 1 11 11 ASN C C 11 173.093 173.093 173.597 -0.504 18171 3208 1 10 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.245 0.464 18171 3209 1 10 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.629 0.471 18171 3210 1 10 . 1 1 11 11 ASN H H 11 7.707 7.707 7.845 -0.138 18171 3211 1 10 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.079 0.204 18171 3212 1 10 . 1 1 12 12 PRO C C 12 177.932 177.932 177.711 0.221 18171 3213 1 10 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.991 0.237 18171 3214 1 10 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.672 0.337 18171 3215 1 10 . 1 1 13 13 ASP N N 13 116.410 116.410 118.506 -2.096 18171 3216 1 10 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.430 -0.005 18171 3217 1 10 . 1 1 13 13 ASP C C 13 178.456 178.456 178.119 0.337 18171 3218 1 10 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.215 -0.406 18171 3219 1 10 . 1 1 13 13 ASP CB C 13 39.939 39.939 41.150 -1.211 18171 3220 1 10 . 1 1 13 13 ASP H H 13 8.218 8.218 8.236 -0.018 18171 3221 1 10 . 1 1 14 14 VAL N N 14 120.053 120.053 120.344 -0.291 18171 3222 1 10 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.806 -0.024 18171 3223 1 10 . 1 1 14 14 VAL C C 14 177.045 177.045 177.537 -0.492 18171 3224 1 10 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.413 -1.063 18171 3225 1 10 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.753 0.008 18171 3226 1 10 . 1 1 14 14 VAL H H 14 7.722 7.722 8.002 -0.280 18171 3227 1 10 . 1 1 15 15 ALA N N 15 121.814 121.814 122.619 -0.805 18171 3228 1 10 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.755 0.167 18171 3229 1 10 . 1 1 15 15 ALA C C 15 180.315 180.315 179.462 0.853 18171 3230 1 10 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.189 0.465 18171 3231 1 10 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.173 0.004 18171 3232 1 10 . 1 1 15 15 ALA H H 15 8.245 8.245 7.520 0.725 18171 3233 1 10 . 1 1 16 16 MET N N 16 114.438 114.438 116.632 -2.194 18171 3234 1 10 . 1 1 16 16 MET HA H 16 4.234 4.234 4.257 -0.023 18171 3235 1 10 . 1 1 16 16 MET C C 16 178.930 178.930 178.849 0.081 18171 3236 1 10 . 1 1 16 16 MET CA C 16 58.011 58.011 58.515 -0.504 18171 3237 1 10 . 1 1 16 16 MET CB C 16 32.027 32.027 32.835 -0.808 18171 3238 1 10 . 1 1 16 16 MET H H 16 7.878 7.878 7.754 0.124 18171 3239 1 10 . 1 1 17 17 ALA N N 17 123.280 123.280 123.580 -0.300 18171 3240 1 10 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.214 -0.036 18171 3241 1 10 . 1 1 17 17 ALA C C 17 179.091 179.091 179.680 -0.589 18171 3242 1 10 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.933 -0.370 18171 3243 1 10 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.111 0.280 18171 3244 1 10 . 1 1 17 17 ALA H H 17 7.647 7.647 7.757 -0.110 18171 3245 1 10 . 1 1 18 18 PHE N N 18 114.808 114.808 116.505 -1.697 18171 3246 1 10 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.239 -0.121 18171 3247 1 10 . 1 1 18 18 PHE C C 18 175.169 175.169 176.717 -1.548 18171 3248 1 10 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.541 -1.107 18171 3249 1 10 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.712 0.331 18171 3250 1 10 . 1 1 18 18 PHE H H 18 8.032 8.032 8.707 -0.675 18171 3251 1 10 . 1 1 19 19 GLN N N 19 114.221 114.221 116.830 -2.609 18171 3252 1 10 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.273 -0.206 18171 3253 1 10 . 1 1 19 19 GLN C C 19 175.843 175.843 175.795 0.048 18171 3254 1 10 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.972 0.175 18171 3255 1 10 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.639 -0.019 18171 3256 1 10 . 1 1 19 19 GLN H H 19 7.414 7.414 7.562 -0.148 18171 3257 1 10 . 1 1 20 20 ASN N N 20 119.994 119.994 119.151 0.843 18171 3258 1 10 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.157 -0.274 18171 3259 1 10 . 1 1 20 20 ASN C C 20 174.726 174.726 173.976 0.750 18171 3260 1 10 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.630 -0.029 18171 3261 1 10 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.631 -1.374 18171 3262 1 10 . 1 1 20 20 ASN H H 20 7.497 7.497 7.833 -0.336 18171 3263 1 10 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.360 -0.171 18171 3264 1 10 . 1 1 21 21 PRO C C 21 178.747 178.747 178.448 0.299 18171 3265 1 10 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.575 -0.529 18171 3266 1 10 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.190 -0.069 18171 3267 1 10 . 1 1 22 22 ARG N N 22 117.899 117.899 118.801 -0.902 18171 3268 1 10 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.996 0.097 18171 3269 1 10 . 1 1 22 22 ARG C C 22 178.827 178.827 178.526 0.301 18171 3270 1 10 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.974 0.012 18171 3271 1 10 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.556 0.875 18171 3272 1 10 . 1 1 22 22 ARG H H 22 8.066 8.066 8.552 -0.486 18171 3273 1 10 . 1 1 23 23 VAL N N 23 119.694 119.694 119.394 0.300 18171 3274 1 10 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.529 -0.145 18171 3275 1 10 . 1 1 23 23 VAL C C 23 177.319 177.319 177.470 -0.151 18171 3276 1 10 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.050 -0.302 18171 3277 1 10 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.432 0.089 18171 3278 1 10 . 1 1 23 23 VAL H H 23 7.199 7.199 7.323 -0.124 18171 3279 1 10 . 1 1 24 24 GLN N N 24 117.842 117.842 119.425 -1.583 18171 3280 1 10 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.704 -0.071 18171 3281 1 10 . 1 1 24 24 GLN C C 24 177.902 177.902 177.881 0.021 18171 3282 1 10 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.656 1.013 18171 3283 1 10 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.080 -0.060 18171 3284 1 10 . 1 1 24 24 GLN H H 24 7.790 7.790 7.824 -0.034 18171 3285 1 10 . 1 1 25 25 ALA N N 25 119.267 119.267 120.595 -1.328 18171 3286 1 10 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.965 0.081 18171 3287 1 10 . 1 1 25 25 ALA C C 25 179.854 179.854 178.762 1.092 18171 3288 1 10 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.689 0.357 18171 3289 1 10 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.188 -0.364 18171 3290 1 10 . 1 1 25 25 ALA H H 25 7.808 7.808 7.983 -0.175 18171 3291 1 10 . 1 1 26 26 ALA N N 26 120.738 120.738 122.192 -1.454 18171 3292 1 10 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.668 0.253 18171 3293 1 10 . 1 1 26 26 ALA C C 26 179.988 179.988 179.646 0.342 18171 3294 1 10 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.468 0.731 18171 3295 1 10 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.880 0.291 18171 3296 1 10 . 1 1 26 26 ALA H H 26 7.500 7.500 7.414 0.086 18171 3297 1 10 . 1 1 27 27 LEU N N 27 118.511 118.511 119.416 -0.905 18171 3298 1 10 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.084 -0.171 18171 3299 1 10 . 1 1 27 27 LEU C C 27 179.923 179.923 179.198 0.725 18171 3300 1 10 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.219 -0.160 18171 3301 1 10 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.624 -0.696 18171 3302 1 10 . 1 1 27 27 LEU H H 27 8.324 8.324 7.976 0.348 18171 3303 1 10 . 1 1 28 28 MET N N 28 118.681 118.681 117.084 1.597 18171 3304 1 10 . 1 1 28 28 MET HA H 28 4.144 4.144 4.017 0.127 18171 3305 1 10 . 1 1 28 28 MET C C 28 179.635 179.635 178.850 0.785 18171 3306 1 10 . 1 1 28 28 MET CA C 28 58.734 58.734 57.899 0.835 18171 3307 1 10 . 1 1 28 28 MET CB C 28 31.901 31.901 31.525 0.376 18171 3308 1 10 . 1 1 28 28 MET H H 28 8.127 8.127 8.334 -0.207 18171 3309 1 10 . 1 1 29 29 GLU N N 29 119.813 119.813 120.306 -0.493 18171 3310 1 10 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.177 0.049 18171 3311 1 10 . 1 1 29 29 GLU C C 29 180.544 180.544 179.299 1.245 18171 3312 1 10 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.133 0.563 18171 3313 1 10 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.095 0.582 18171 3314 1 10 . 1 1 29 29 GLU H H 29 8.302 8.302 8.364 -0.062 18171 3315 1 10 . 1 1 30 30 CYS N N 30 118.465 118.465 119.439 -0.974 18171 3316 1 10 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.485 -0.032 18171 3317 1 10 . 1 1 30 30 CYS C C 30 175.357 175.357 176.017 -0.660 18171 3318 1 10 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.614 0.868 18171 3319 1 10 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.770 0.020 18171 3320 1 10 . 1 1 30 30 CYS H H 30 8.465 8.465 8.089 0.376 18171 3321 1 10 . 1 1 31 31 SER N N 31 114.366 114.366 115.107 -0.741 18171 3322 1 10 . 1 1 31 31 SER HA H 31 4.174 4.174 4.191 -0.017 18171 3323 1 10 . 1 1 31 31 SER C C 31 175.371 175.371 176.305 -0.934 18171 3324 1 10 . 1 1 31 31 SER CA C 31 60.932 60.932 61.307 -0.375 18171 3325 1 10 . 1 1 31 31 SER CB C 31 62.749 62.749 62.729 0.020 18171 3326 1 10 . 1 1 31 31 SER H H 31 7.859 7.859 7.698 0.161 18171 3327 1 10 . 1 1 32 32 GLU N N 32 119.996 119.996 121.947 -1.951 18171 3328 1 10 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.284 -0.080 18171 3329 1 10 . 1 1 32 32 GLU C C 32 176.983 176.983 176.579 0.404 18171 3330 1 10 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.878 0.094 18171 3331 1 10 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.529 -0.452 18171 3332 1 10 . 1 1 32 32 GLU H H 32 7.254 7.254 8.195 -0.941 18171 3333 1 10 . 1 1 33 33 ASN N N 33 113.026 113.026 113.014 0.012 18171 3334 1 10 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.883 0.090 18171 3335 1 10 . 1 1 33 33 ASN C C 33 173.504 173.504 173.091 0.413 18171 3336 1 10 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.428 -1.692 18171 3337 1 10 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.582 -0.097 18171 3338 1 10 . 1 1 33 33 ASN H H 33 7.370 7.370 7.527 -0.157 18171 3339 1 10 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.351 0.223 18171 3340 1 10 . 1 1 34 34 PRO C C 34 178.270 178.270 177.154 1.116 18171 3341 1 10 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.838 -0.011 18171 3342 1 10 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.971 -0.218 18171 3343 1 10 . 1 1 35 35 MET N N 35 115.258 115.258 113.906 1.352 18171 3344 1 10 . 1 1 35 35 MET HA H 35 4.330 4.330 4.242 0.088 18171 3345 1 10 . 1 1 35 35 MET C C 35 178.569 178.569 177.224 1.345 18171 3346 1 10 . 1 1 35 35 MET CA C 35 57.050 57.050 56.541 0.509 18171 3347 1 10 . 1 1 35 35 MET CB C 35 31.300 31.300 30.863 0.437 18171 3348 1 10 . 1 1 35 35 MET H H 35 7.962 7.962 8.047 -0.085 18171 3349 1 10 . 1 1 36 36 ASN N N 36 117.357 117.357 119.078 -1.721 18171 3350 1 10 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.329 0.244 18171 3351 1 10 . 1 1 36 36 ASN C C 36 176.470 176.470 177.328 -0.858 18171 3352 1 10 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.162 -1.036 18171 3353 1 10 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.543 0.899 18171 3354 1 10 . 1 1 36 36 ASN H H 36 8.462 8.462 8.337 0.125 18171 3355 1 10 . 1 1 37 37 ILE N N 37 121.622 121.622 122.302 -0.680 18171 3356 1 10 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.858 0.252 18171 3357 1 10 . 1 1 37 37 ILE C C 37 177.331 177.331 177.189 0.142 18171 3358 1 10 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.778 -0.189 18171 3359 1 10 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.838 0.177 18171 3360 1 10 . 1 1 37 37 ILE H H 37 7.820 7.820 7.503 0.317 18171 3361 1 10 . 1 1 38 38 MET N N 38 118.071 118.071 116.996 1.075 18171 3362 1 10 . 1 1 38 38 MET HA H 38 4.174 4.174 4.068 0.106 18171 3363 1 10 . 1 1 38 38 MET C C 38 178.456 178.456 177.406 1.050 18171 3364 1 10 . 1 1 38 38 MET CA C 38 57.563 57.563 58.459 -0.896 18171 3365 1 10 . 1 1 38 38 MET CB C 38 31.533 31.533 32.300 -0.767 18171 3366 1 10 . 1 1 38 38 MET H H 38 7.479 7.479 7.587 -0.108 18171 3367 1 10 . 1 1 39 39 LYS N N 39 117.427 117.427 117.889 -0.462 18171 3368 1 10 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.107 -0.160 18171 3369 1 10 . 1 1 39 39 LYS C C 39 177.456 177.456 178.565 -1.109 18171 3370 1 10 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.163 -0.151 18171 3371 1 10 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.172 -1.399 18171 3372 1 10 . 1 1 39 39 LYS H H 39 7.580 7.580 7.662 -0.082 18171 3373 1 10 . 1 1 40 40 TYR N N 40 116.049 116.049 119.075 -3.026 18171 3374 1 10 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.313 0.217 18171 3375 1 10 . 1 1 40 40 TYR C C 40 175.635 175.635 177.910 -2.275 18171 3376 1 10 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.760 -0.362 18171 3377 1 10 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.687 2.803 18171 3378 1 10 . 1 1 40 40 TYR H H 40 7.651 7.651 7.721 -0.070 18171 3379 1 10 . 1 1 41 41 GLN N N 41 116.626 116.626 119.574 -2.948 18171 3380 1 10 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.968 0.365 18171 3381 1 10 . 1 1 41 41 GLN C C 41 175.887 175.887 176.559 -0.672 18171 3382 1 10 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.408 0.178 18171 3383 1 10 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.631 1.416 18171 3384 1 10 . 1 1 41 41 GLN H H 41 7.001 7.001 7.879 -0.878 18171 3385 1 10 . 1 1 42 42 ASN N N 42 114.491 114.491 114.800 -0.309 18171 3386 1 10 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.633 0.229 18171 3387 1 10 . 1 1 42 42 ASN C C 42 173.784 173.784 175.760 -1.976 18171 3388 1 10 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.418 -0.886 18171 3389 1 10 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.792 -0.204 18171 3390 1 10 . 1 1 42 42 ASN H H 42 8.281 8.281 7.636 0.645 18171 3391 1 10 . 1 1 43 43 ASP N N 43 122.981 122.981 122.025 0.956 18171 3392 1 10 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.692 0.063 18171 3393 1 10 . 1 1 43 43 ASP C C 43 174.773 174.773 176.254 -1.481 18171 3394 1 10 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.960 -0.353 18171 3395 1 10 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.672 0.697 18171 3396 1 10 . 1 1 43 43 ASP H H 43 7.960 7.960 8.129 -0.169 18171 3397 1 10 . 1 1 44 44 LYS N N 44 125.893 125.893 127.157 -1.264 18171 3398 1 10 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.883 -0.023 18171 3399 1 10 . 1 1 44 44 LYS C C 44 177.796 177.796 178.235 -0.439 18171 3400 1 10 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.494 0.302 18171 3401 1 10 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.592 -0.056 18171 3402 1 10 . 1 1 44 44 LYS H H 44 8.361 8.361 7.983 0.378 18171 3403 1 10 . 1 1 45 45 GLU N N 45 116.698 116.698 119.096 -2.398 18171 3404 1 10 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.119 -0.052 18171 3405 1 10 . 1 1 45 45 GLU C C 45 178.724 178.724 178.702 0.022 18171 3406 1 10 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.391 0.064 18171 3407 1 10 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.230 0.527 18171 3408 1 10 . 1 1 45 45 GLU H H 45 8.127 8.127 7.935 0.192 18171 3409 1 10 . 1 1 46 46 VAL N N 46 117.476 117.476 119.953 -2.477 18171 3410 1 10 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.710 -0.296 18171 3411 1 10 . 1 1 46 46 VAL C C 46 177.879 177.879 178.362 -0.483 18171 3412 1 10 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.106 0.324 18171 3413 1 10 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.121 0.907 18171 3414 1 10 . 1 1 46 46 VAL H H 46 7.452 7.452 7.804 -0.352 18171 3415 1 10 . 1 1 47 47 MET N N 47 117.027 117.027 119.651 -2.624 18171 3416 1 10 . 1 1 47 47 MET HA H 47 4.479 4.479 4.192 0.287 18171 3417 1 10 . 1 1 47 47 MET C C 47 179.307 179.307 178.753 0.554 18171 3418 1 10 . 1 1 47 47 MET CA C 47 56.809 56.809 58.322 -1.513 18171 3419 1 10 . 1 1 47 47 MET CB C 47 30.371 30.371 31.084 -0.713 18171 3420 1 10 . 1 1 47 47 MET H H 47 8.542 8.542 8.408 0.134 18171 3421 1 10 . 1 1 48 48 ASP N N 48 119.811 119.811 120.824 -1.013 18171 3422 1 10 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.429 0.063 18171 3423 1 10 . 1 1 48 48 ASP C C 48 179.136 179.136 179.329 -0.193 18171 3424 1 10 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.632 -0.061 18171 3425 1 10 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.457 -0.004 18171 3426 1 10 . 1 1 48 48 ASP H H 48 8.580 8.580 8.142 0.438 18171 3427 1 10 . 1 1 49 49 VAL N N 49 118.816 118.816 120.027 -1.211 18171 3428 1 10 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.769 -0.131 18171 3429 1 10 . 1 1 49 49 VAL C C 49 177.777 177.777 177.120 0.657 18171 3430 1 10 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.752 0.705 18171 3431 1 10 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.015 -0.949 18171 3432 1 10 . 1 1 49 49 VAL H H 49 7.319 7.319 7.581 -0.262 18171 3433 1 10 . 1 1 50 50 PHE N N 50 120.305 120.305 120.023 0.282 18171 3434 1 10 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.190 -0.054 18171 3435 1 10 . 1 1 50 50 PHE C C 50 178.505 178.505 177.491 1.014 18171 3436 1 10 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.899 -0.359 18171 3437 1 10 . 1 1 50 50 PHE CB C 50 38.309 38.309 39.071 -0.762 18171 3438 1 10 . 1 1 50 50 PHE H H 50 8.529 8.529 8.939 -0.410 18171 3439 1 10 . 1 1 51 51 ASN N N 51 117.888 117.888 117.422 0.466 18171 3440 1 10 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.431 -0.016 18171 3441 1 10 . 1 1 51 51 ASN C C 51 177.863 177.863 176.932 0.931 18171 3442 1 10 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.077 0.091 18171 3443 1 10 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.578 -0.269 18171 3444 1 10 . 1 1 51 51 ASN H H 51 8.886 8.886 8.646 0.240 18171 3445 1 10 . 1 1 52 52 LYS N N 52 120.120 120.120 121.929 -1.809 18171 3446 1 10 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.181 -0.071 18171 3447 1 10 . 1 1 52 52 LYS C C 52 179.002 179.002 178.642 0.360 18171 3448 1 10 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.337 -0.363 18171 3449 1 10 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.666 -0.611 18171 3450 1 10 . 1 1 52 52 LYS H H 52 7.760 7.760 7.459 0.301 18171 3451 1 10 . 1 1 53 53 ILE N N 53 117.988 117.988 119.748 -1.760 18171 3452 1 10 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.485 0.272 18171 3453 1 10 . 1 1 53 53 ILE C C 53 177.686 177.686 176.709 0.977 18171 3454 1 10 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.049 0.992 18171 3455 1 10 . 1 1 53 53 ILE CB C 53 37.667 37.667 36.598 1.069 18171 3456 1 10 . 1 1 53 53 ILE H H 53 8.400 8.400 8.426 -0.026 18171 3457 1 10 . 1 1 54 54 SER N N 54 114.267 114.267 112.239 2.028 18171 3458 1 10 . 1 1 54 54 SER HA H 54 4.050 4.050 4.166 -0.116 18171 3459 1 10 . 1 1 54 54 SER C C 54 175.690 175.690 175.745 -0.055 18171 3460 1 10 . 1 1 54 54 SER CA C 54 61.417 61.417 60.643 0.774 18171 3461 1 10 . 1 1 54 54 SER CB C 54 62.922 62.922 63.782 -0.860 18171 3462 1 10 . 1 1 54 54 SER H H 54 8.042 8.042 7.456 0.586 18171 3463 1 10 . 1 1 55 55 GLN N N 55 118.045 118.045 119.808 -1.763 18171 3464 1 10 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.278 -0.138 18171 3465 1 10 . 1 1 55 55 GLN C C 55 177.193 177.193 177.995 -0.802 18171 3466 1 10 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.498 -0.416 18171 3467 1 10 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.394 -0.674 18171 3468 1 10 . 1 1 55 55 GLN H H 55 7.415 7.415 7.568 -0.153 18171 3469 1 10 . 1 1 56 56 LEU N N 56 118.492 118.492 119.059 -0.567 18171 3470 1 10 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.192 -0.159 18171 3471 1 10 . 1 1 56 56 LEU C C 56 176.578 176.578 176.462 0.116 18171 3472 1 10 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.056 -0.151 18171 3473 1 10 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.246 0.303 18171 3474 1 10 . 1 1 56 56 LEU H H 56 7.732 7.732 8.078 -0.346 18171 3475 1 10 . 1 1 57 57 PHE N N 57 116.774 116.774 115.691 1.083 18171 3476 1 10 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.948 -0.056 18171 3477 1 10 . 1 1 57 57 PHE C C 57 173.125 173.125 174.633 -1.508 18171 3478 1 10 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.453 0.758 18171 3479 1 10 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.324 0.699 18171 3480 1 10 . 1 1 57 57 PHE H H 57 7.629 7.629 7.999 -0.370 18171 3481 1 10 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.254 0.226 18171 3482 1 10 . 1 1 58 58 PRO C C 58 178.090 178.090 177.129 0.961 18171 3483 1 10 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.773 -0.801 18171 3484 1 10 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.021 -1.094 18171 3485 1 10 . 1 1 59 59 GLY N N 59 108.335 108.335 103.546 4.789 18171 3486 1 10 . 1 1 59 59 GLY C C 59 174.930 174.930 173.486 1.444 18171 3487 1 10 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.925 0.459 18171 3488 1 10 . 1 1 59 59 GLY H H 59 8.411 8.411 7.811 0.600 18171 3489 1 10 . 1 1 60 60 MET N N 60 119.206 119.206 119.242 -0.036 18171 3490 1 10 . 1 1 60 60 MET HA H 60 4.467 4.467 4.199 0.268 18171 3491 1 10 . 1 1 60 60 MET C C 60 176.320 176.320 175.705 0.615 18171 3492 1 10 . 1 1 60 60 MET CA C 60 56.395 56.395 55.840 0.555 18171 3493 1 10 . 1 1 60 60 MET CB C 60 32.964 32.964 30.597 2.367 18171 3494 1 10 . 1 1 60 60 MET H H 60 8.053 8.053 8.117 -0.064 18171 3495 1 10 . 1 1 61 61 THR N N 61 111.041 111.041 113.509 -2.468 18171 3496 1 10 . 1 1 61 61 THR HA H 61 4.402 4.402 4.331 0.071 18171 3497 1 10 . 1 1 61 61 THR C C 61 173.976 173.976 175.378 -1.402 18171 3498 1 10 . 1 1 61 61 THR CA C 61 61.233 61.233 61.832 -0.599 18171 3499 1 10 . 1 1 61 61 THR CB C 61 70.120 70.120 68.929 1.191 18171 3500 1 10 . 1 1 61 61 THR H H 61 7.880 7.880 8.236 -0.356 18171 3501 1 11 . 1 1 2 2 GLU N N 2 115.081 115.081 121.137 -6.056 18171 3502 1 11 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.998 -0.138 18171 3503 1 11 . 1 1 2 2 GLU C C 2 179.259 179.259 178.298 0.961 18171 3504 1 11 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.190 1.170 18171 3505 1 11 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.318 -0.592 18171 3506 1 11 . 1 1 2 2 GLU H H 2 8.756 8.756 8.953 -0.197 18171 3507 1 11 . 1 1 3 3 GLU N N 3 120.051 120.051 119.913 0.138 18171 3508 1 11 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.100 -0.084 18171 3509 1 11 . 1 1 3 3 GLU C C 3 178.863 178.863 178.822 0.041 18171 3510 1 11 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.458 -0.452 18171 3511 1 11 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.349 1.016 18171 3512 1 11 . 1 1 3 3 GLU H H 3 7.722 7.722 8.460 -0.739 18171 3513 1 11 . 1 1 4 4 VAL N N 4 120.223 120.223 118.878 1.345 18171 3514 1 11 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.785 -0.276 18171 3515 1 11 . 1 1 4 4 VAL C C 4 177.687 177.687 178.388 -0.701 18171 3516 1 11 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.765 0.902 18171 3517 1 11 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.479 0.062 18171 3518 1 11 . 1 1 4 4 VAL H H 4 7.815 7.815 7.438 0.377 18171 3519 1 11 . 1 1 5 5 ILE N N 5 118.475 118.475 119.013 -0.538 18171 3520 1 11 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.549 -0.049 18171 3521 1 11 . 1 1 5 5 ILE C C 5 177.638 177.638 177.902 -0.264 18171 3522 1 11 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.962 -0.601 18171 3523 1 11 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.216 -0.080 18171 3524 1 11 . 1 1 5 5 ILE H H 5 8.293 8.293 8.134 0.159 18171 3525 1 11 . 1 1 6 6 SER N N 6 113.327 113.327 114.889 -1.562 18171 3526 1 11 . 1 1 6 6 SER HA H 6 4.034 4.034 4.213 -0.179 18171 3527 1 11 . 1 1 6 6 SER C C 6 176.398 176.398 176.492 -0.094 18171 3528 1 11 . 1 1 6 6 SER CA C 6 61.781 61.781 61.276 0.504 18171 3529 1 11 . 1 1 6 6 SER CB C 6 62.770 62.770 63.027 -0.257 18171 3530 1 11 . 1 1 6 6 SER H H 6 7.740 7.740 7.841 -0.101 18171 3531 1 11 . 1 1 7 7 LYS N N 7 119.755 119.755 122.819 -3.064 18171 3532 1 11 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.224 -0.081 18171 3533 1 11 . 1 1 7 7 LYS C C 7 179.622 179.622 178.702 0.920 18171 3534 1 11 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.449 -0.443 18171 3535 1 11 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.960 -0.218 18171 3536 1 11 . 1 1 7 7 LYS H H 7 7.523 7.523 8.067 -0.544 18171 3537 1 11 . 1 1 8 8 ILE N N 8 119.544 119.544 119.794 -0.250 18171 3538 1 11 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.832 -0.189 18171 3539 1 11 . 1 1 8 8 ILE C C 8 177.510 177.510 177.306 0.204 18171 3540 1 11 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.068 2.112 18171 3541 1 11 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.227 1.234 18171 3542 1 11 . 1 1 8 8 ILE H H 8 8.132 8.132 7.916 0.216 18171 3543 1 11 . 1 1 9 9 MET N N 9 114.616 114.616 116.744 -2.128 18171 3544 1 11 . 1 1 9 9 MET HA H 9 4.104 4.104 4.209 -0.105 18171 3545 1 11 . 1 1 9 9 MET C C 9 177.018 177.018 176.806 0.212 18171 3546 1 11 . 1 1 9 9 MET CA C 9 56.601 56.601 57.154 -0.553 18171 3547 1 11 . 1 1 9 9 MET CB C 9 31.479 31.479 31.384 0.095 18171 3548 1 11 . 1 1 9 9 MET H H 9 7.835 7.835 7.462 0.373 18171 3549 1 11 . 1 1 10 10 GLU N N 10 116.206 116.206 118.421 -2.215 18171 3550 1 11 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.082 0.070 18171 3551 1 11 . 1 1 10 10 GLU C C 10 176.263 176.263 177.084 -0.821 18171 3552 1 11 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.001 0.082 18171 3553 1 11 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.552 0.458 18171 3554 1 11 . 1 1 10 10 GLU H H 10 7.318 7.318 7.791 -0.473 18171 3555 1 11 . 1 1 11 11 ASN N N 11 119.007 119.007 117.296 1.711 18171 3556 1 11 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.030 0.111 18171 3557 1 11 . 1 1 11 11 ASN C C 11 173.093 173.093 173.026 0.067 18171 3558 1 11 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.898 -0.189 18171 3559 1 11 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.077 0.023 18171 3560 1 11 . 1 1 11 11 ASN H H 11 7.707 7.707 7.848 -0.141 18171 3561 1 11 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.141 0.142 18171 3562 1 11 . 1 1 12 12 PRO C C 12 177.932 177.932 177.072 0.860 18171 3563 1 11 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.106 0.122 18171 3564 1 11 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.771 0.237 18171 3565 1 11 . 1 1 13 13 ASP N N 13 116.410 116.410 117.677 -1.267 18171 3566 1 11 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.499 -0.074 18171 3567 1 11 . 1 1 13 13 ASP C C 13 178.456 178.456 178.575 -0.119 18171 3568 1 11 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.128 -0.319 18171 3569 1 11 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.749 -0.810 18171 3570 1 11 . 1 1 13 13 ASP H H 13 8.218 8.218 8.529 -0.311 18171 3571 1 11 . 1 1 14 14 VAL N N 14 120.053 120.053 120.403 -0.350 18171 3572 1 11 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.739 0.043 18171 3573 1 11 . 1 1 14 14 VAL C C 14 177.045 177.045 177.588 -0.543 18171 3574 1 11 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.668 -1.318 18171 3575 1 11 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.648 0.113 18171 3576 1 11 . 1 1 14 14 VAL H H 14 7.722 7.722 8.149 -0.427 18171 3577 1 11 . 1 1 15 15 ALA N N 15 121.814 121.814 122.822 -1.008 18171 3578 1 11 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.789 0.133 18171 3579 1 11 . 1 1 15 15 ALA C C 15 180.315 180.315 179.240 1.075 18171 3580 1 11 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.133 0.521 18171 3581 1 11 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.302 -0.125 18171 3582 1 11 . 1 1 15 15 ALA H H 15 8.245 8.245 7.429 0.816 18171 3583 1 11 . 1 1 16 16 MET N N 16 114.438 114.438 116.619 -2.181 18171 3584 1 11 . 1 1 16 16 MET HA H 16 4.234 4.234 4.357 -0.123 18171 3585 1 11 . 1 1 16 16 MET C C 16 178.930 178.930 178.926 0.004 18171 3586 1 11 . 1 1 16 16 MET CA C 16 58.011 58.011 56.730 1.281 18171 3587 1 11 . 1 1 16 16 MET CB C 16 32.027 32.027 32.331 -0.304 18171 3588 1 11 . 1 1 16 16 MET H H 16 7.878 7.878 7.884 -0.006 18171 3589 1 11 . 1 1 17 17 ALA N N 17 123.280 123.280 123.509 -0.229 18171 3590 1 11 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.200 -0.022 18171 3591 1 11 . 1 1 17 17 ALA C C 17 179.091 179.091 179.736 -0.645 18171 3592 1 11 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.936 -0.373 18171 3593 1 11 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.025 0.366 18171 3594 1 11 . 1 1 17 17 ALA H H 17 7.647 7.647 8.191 -0.544 18171 3595 1 11 . 1 1 18 18 PHE N N 18 114.808 114.808 116.249 -1.441 18171 3596 1 11 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.234 -0.116 18171 3597 1 11 . 1 1 18 18 PHE C C 18 175.169 175.169 176.597 -1.428 18171 3598 1 11 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.350 -0.916 18171 3599 1 11 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.689 0.354 18171 3600 1 11 . 1 1 18 18 PHE H H 18 8.032 8.032 8.561 -0.529 18171 3601 1 11 . 1 1 19 19 GLN N N 19 114.221 114.221 116.983 -2.762 18171 3602 1 11 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.309 -0.242 18171 3603 1 11 . 1 1 19 19 GLN C C 19 175.843 175.843 175.455 0.388 18171 3604 1 11 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.688 0.459 18171 3605 1 11 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.777 -0.157 18171 3606 1 11 . 1 1 19 19 GLN H H 19 7.414 7.414 7.528 -0.114 18171 3607 1 11 . 1 1 20 20 ASN N N 20 119.994 119.994 119.452 0.542 18171 3608 1 11 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.207 -0.324 18171 3609 1 11 . 1 1 20 20 ASN C C 20 174.726 174.726 173.983 0.743 18171 3610 1 11 . 1 1 20 20 ASN CA C 20 50.601 50.601 49.989 0.612 18171 3611 1 11 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.221 0.036 18171 3612 1 11 . 1 1 20 20 ASN H H 20 7.497 7.497 7.922 -0.425 18171 3613 1 11 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.351 -0.162 18171 3614 1 11 . 1 1 21 21 PRO C C 21 178.747 178.747 178.170 0.577 18171 3615 1 11 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.578 -0.532 18171 3616 1 11 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.278 -0.157 18171 3617 1 11 . 1 1 22 22 ARG N N 22 117.899 117.899 118.073 -0.174 18171 3618 1 11 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.001 0.092 18171 3619 1 11 . 1 1 22 22 ARG C C 22 178.827 178.827 178.465 0.362 18171 3620 1 11 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.518 0.468 18171 3621 1 11 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.821 1.610 18171 3622 1 11 . 1 1 22 22 ARG H H 22 8.066 8.066 8.684 -0.618 18171 3623 1 11 . 1 1 23 23 VAL N N 23 119.694 119.694 120.578 -0.884 18171 3624 1 11 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.662 -0.278 18171 3625 1 11 . 1 1 23 23 VAL C C 23 177.319 177.319 177.931 -0.612 18171 3626 1 11 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.372 -0.624 18171 3627 1 11 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.341 0.180 18171 3628 1 11 . 1 1 23 23 VAL H H 23 7.199 7.199 7.669 -0.470 18171 3629 1 11 . 1 1 24 24 GLN N N 24 117.842 117.842 118.393 -0.551 18171 3630 1 11 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.780 -0.147 18171 3631 1 11 . 1 1 24 24 GLN C C 24 177.902 177.902 178.395 -0.493 18171 3632 1 11 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.707 0.962 18171 3633 1 11 . 1 1 24 24 GLN CB C 24 28.020 28.020 27.992 0.028 18171 3634 1 11 . 1 1 24 24 GLN H H 24 7.790 7.790 8.125 -0.335 18171 3635 1 11 . 1 1 25 25 ALA N N 25 119.267 119.267 121.219 -1.952 18171 3636 1 11 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.115 -0.069 18171 3637 1 11 . 1 1 25 25 ALA C C 25 179.854 179.854 179.255 0.599 18171 3638 1 11 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.509 0.537 18171 3639 1 11 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.037 -0.213 18171 3640 1 11 . 1 1 25 25 ALA H H 25 7.808 7.808 8.477 -0.669 18171 3641 1 11 . 1 1 26 26 ALA N N 26 120.738 120.738 121.498 -0.760 18171 3642 1 11 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.541 0.380 18171 3643 1 11 . 1 1 26 26 ALA C C 26 179.988 179.988 179.372 0.616 18171 3644 1 11 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.419 0.780 18171 3645 1 11 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.204 -0.033 18171 3646 1 11 . 1 1 26 26 ALA H H 26 7.500 7.500 7.458 0.042 18171 3647 1 11 . 1 1 27 27 LEU N N 27 118.511 118.511 119.573 -1.062 18171 3648 1 11 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.122 -0.209 18171 3649 1 11 . 1 1 27 27 LEU C C 27 179.923 179.923 178.983 0.940 18171 3650 1 11 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.908 0.151 18171 3651 1 11 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.940 -1.012 18171 3652 1 11 . 1 1 27 27 LEU H H 27 8.324 8.324 8.286 0.038 18171 3653 1 11 . 1 1 28 28 MET N N 28 118.681 118.681 117.831 0.850 18171 3654 1 11 . 1 1 28 28 MET HA H 28 4.144 4.144 4.082 0.062 18171 3655 1 11 . 1 1 28 28 MET C C 28 179.635 179.635 178.626 1.009 18171 3656 1 11 . 1 1 28 28 MET CA C 28 58.734 58.734 58.279 0.455 18171 3657 1 11 . 1 1 28 28 MET CB C 28 31.901 31.901 31.896 0.005 18171 3658 1 11 . 1 1 28 28 MET H H 28 8.127 8.127 8.218 -0.091 18171 3659 1 11 . 1 1 29 29 GLU N N 29 119.813 119.813 118.980 0.833 18171 3660 1 11 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.190 0.036 18171 3661 1 11 . 1 1 29 29 GLU C C 29 180.544 180.544 178.803 1.741 18171 3662 1 11 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.793 0.903 18171 3663 1 11 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.790 -0.113 18171 3664 1 11 . 1 1 29 29 GLU H H 29 8.302 8.302 8.264 0.038 18171 3665 1 11 . 1 1 30 30 CYS N N 30 118.465 118.465 119.318 -0.853 18171 3666 1 11 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.382 0.071 18171 3667 1 11 . 1 1 30 30 CYS C C 30 175.357 175.357 175.887 -0.530 18171 3668 1 11 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.038 0.444 18171 3669 1 11 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.843 -1.053 18171 3670 1 11 . 1 1 30 30 CYS H H 30 8.465 8.465 8.120 0.345 18171 3671 1 11 . 1 1 31 31 SER N N 31 114.366 114.366 113.790 0.576 18171 3672 1 11 . 1 1 31 31 SER HA H 31 4.174 4.174 4.172 0.002 18171 3673 1 11 . 1 1 31 31 SER C C 31 175.371 175.371 176.002 -0.631 18171 3674 1 11 . 1 1 31 31 SER CA C 31 60.932 60.932 60.919 0.013 18171 3675 1 11 . 1 1 31 31 SER CB C 31 62.749 62.749 63.158 -0.409 18171 3676 1 11 . 1 1 31 31 SER H H 31 7.859 7.859 7.711 0.148 18171 3677 1 11 . 1 1 32 32 GLU N N 32 119.996 119.996 119.385 0.611 18171 3678 1 11 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.205 -0.001 18171 3679 1 11 . 1 1 32 32 GLU C C 32 176.983 176.983 176.746 0.237 18171 3680 1 11 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.229 -0.257 18171 3681 1 11 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.478 -0.401 18171 3682 1 11 . 1 1 32 32 GLU H H 32 7.254 7.254 7.887 -0.633 18171 3683 1 11 . 1 1 33 33 ASN N N 33 113.026 113.026 112.520 0.506 18171 3684 1 11 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.893 0.080 18171 3685 1 11 . 1 1 33 33 ASN C C 33 173.504 173.504 173.211 0.293 18171 3686 1 11 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.617 -1.881 18171 3687 1 11 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.676 0.809 18171 3688 1 11 . 1 1 33 33 ASN H H 33 7.370 7.370 7.541 -0.171 18171 3689 1 11 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.334 0.240 18171 3690 1 11 . 1 1 34 34 PRO C C 34 178.270 178.270 177.190 1.080 18171 3691 1 11 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.753 0.074 18171 3692 1 11 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.965 -0.211 18171 3693 1 11 . 1 1 35 35 MET N N 35 115.258 115.258 113.640 1.618 18171 3694 1 11 . 1 1 35 35 MET HA H 35 4.330 4.330 4.229 0.101 18171 3695 1 11 . 1 1 35 35 MET C C 35 178.569 178.569 176.899 1.670 18171 3696 1 11 . 1 1 35 35 MET CA C 35 57.050 57.050 56.515 0.535 18171 3697 1 11 . 1 1 35 35 MET CB C 35 31.300 31.300 30.628 0.672 18171 3698 1 11 . 1 1 35 35 MET H H 35 7.962 7.962 8.146 -0.184 18171 3699 1 11 . 1 1 36 36 ASN N N 36 117.357 117.357 116.739 0.618 18171 3700 1 11 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.617 -0.044 18171 3701 1 11 . 1 1 36 36 ASN C C 36 176.470 176.470 177.065 -0.595 18171 3702 1 11 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.385 -0.259 18171 3703 1 11 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.086 0.356 18171 3704 1 11 . 1 1 36 36 ASN H H 36 8.462 8.462 8.163 0.299 18171 3705 1 11 . 1 1 37 37 ILE N N 37 121.622 121.622 122.072 -0.450 18171 3706 1 11 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.889 0.221 18171 3707 1 11 . 1 1 37 37 ILE C C 37 177.331 177.331 176.823 0.508 18171 3708 1 11 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.768 -0.180 18171 3709 1 11 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.940 0.075 18171 3710 1 11 . 1 1 37 37 ILE H H 37 7.820 7.820 7.443 0.377 18171 3711 1 11 . 1 1 38 38 MET N N 38 118.071 118.071 116.153 1.918 18171 3712 1 11 . 1 1 38 38 MET HA H 38 4.174 4.174 4.230 -0.056 18171 3713 1 11 . 1 1 38 38 MET C C 38 178.456 178.456 176.403 2.053 18171 3714 1 11 . 1 1 38 38 MET CA C 38 57.563 57.563 56.020 1.543 18171 3715 1 11 . 1 1 38 38 MET CB C 38 31.533 31.533 30.789 0.744 18171 3716 1 11 . 1 1 38 38 MET H H 38 7.479 7.479 7.557 -0.078 18171 3717 1 11 . 1 1 39 39 LYS N N 39 117.427 117.427 118.131 -0.704 18171 3718 1 11 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.250 -0.303 18171 3719 1 11 . 1 1 39 39 LYS C C 39 177.456 177.456 177.985 -0.529 18171 3720 1 11 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.051 0.961 18171 3721 1 11 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.438 -2.665 18171 3722 1 11 . 1 1 39 39 LYS H H 39 7.580 7.580 7.746 -0.166 18171 3723 1 11 . 1 1 40 40 TYR N N 40 116.049 116.049 119.721 -3.672 18171 3724 1 11 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.321 0.209 18171 3725 1 11 . 1 1 40 40 TYR C C 40 175.635 175.635 177.741 -2.106 18171 3726 1 11 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.051 -0.653 18171 3727 1 11 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.011 2.479 18171 3728 1 11 . 1 1 40 40 TYR H H 40 7.651 7.651 7.664 -0.013 18171 3729 1 11 . 1 1 41 41 GLN N N 41 116.626 116.626 119.976 -3.350 18171 3730 1 11 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.964 0.369 18171 3731 1 11 . 1 1 41 41 GLN C C 41 175.887 175.887 176.795 -0.908 18171 3732 1 11 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.870 -0.284 18171 3733 1 11 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.544 1.502 18171 3734 1 11 . 1 1 41 41 GLN H H 41 7.001 7.001 7.777 -0.776 18171 3735 1 11 . 1 1 42 42 ASN N N 42 114.491 114.491 115.571 -1.080 18171 3736 1 11 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.667 0.195 18171 3737 1 11 . 1 1 42 42 ASN C C 42 173.784 173.784 174.911 -1.127 18171 3738 1 11 . 1 1 42 42 ASN CA C 42 52.532 52.532 54.369 -1.837 18171 3739 1 11 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.161 -0.573 18171 3740 1 11 . 1 1 42 42 ASN H H 42 8.281 8.281 7.579 0.702 18171 3741 1 11 . 1 1 43 43 ASP N N 43 122.981 122.981 121.523 1.458 18171 3742 1 11 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.730 0.025 18171 3743 1 11 . 1 1 43 43 ASP C C 43 174.773 174.773 176.411 -1.638 18171 3744 1 11 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.576 -0.969 18171 3745 1 11 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.585 0.784 18171 3746 1 11 . 1 1 43 43 ASP H H 43 7.960 7.960 8.177 -0.217 18171 3747 1 11 . 1 1 44 44 LYS N N 44 125.893 125.893 126.420 -0.527 18171 3748 1 11 . 1 1 44 44 LYS HA H 44 3.860 3.860 4.007 -0.147 18171 3749 1 11 . 1 1 44 44 LYS C C 44 177.796 177.796 178.712 -0.916 18171 3750 1 11 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.063 0.733 18171 3751 1 11 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.289 0.247 18171 3752 1 11 . 1 1 44 44 LYS H H 44 8.361 8.361 8.135 0.226 18171 3753 1 11 . 1 1 45 45 GLU N N 45 116.698 116.698 118.950 -2.252 18171 3754 1 11 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.148 -0.081 18171 3755 1 11 . 1 1 45 45 GLU C C 45 178.724 178.724 178.691 0.033 18171 3756 1 11 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.277 0.178 18171 3757 1 11 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.267 0.490 18171 3758 1 11 . 1 1 45 45 GLU H H 45 8.127 8.127 7.941 0.186 18171 3759 1 11 . 1 1 46 46 VAL N N 46 117.476 117.476 119.786 -2.310 18171 3760 1 11 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.757 -0.343 18171 3761 1 11 . 1 1 46 46 VAL C C 46 177.879 177.879 177.859 0.020 18171 3762 1 11 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.459 -0.029 18171 3763 1 11 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.636 0.392 18171 3764 1 11 . 1 1 46 46 VAL H H 46 7.452 7.452 7.605 -0.153 18171 3765 1 11 . 1 1 47 47 MET N N 47 117.027 117.027 119.198 -2.171 18171 3766 1 11 . 1 1 47 47 MET HA H 47 4.479 4.479 4.128 0.351 18171 3767 1 11 . 1 1 47 47 MET C C 47 179.307 179.307 177.974 1.333 18171 3768 1 11 . 1 1 47 47 MET CA C 47 56.809 56.809 59.733 -2.924 18171 3769 1 11 . 1 1 47 47 MET CB C 47 30.371 30.371 32.038 -1.667 18171 3770 1 11 . 1 1 47 47 MET H H 47 8.542 8.542 8.341 0.202 18171 3771 1 11 . 1 1 48 48 ASP N N 48 119.811 119.811 120.936 -1.125 18171 3772 1 11 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.439 0.053 18171 3773 1 11 . 1 1 48 48 ASP C C 48 179.136 179.136 179.164 -0.028 18171 3774 1 11 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.721 -0.150 18171 3775 1 11 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.590 -0.137 18171 3776 1 11 . 1 1 48 48 ASP H H 48 8.580 8.580 8.068 0.512 18171 3777 1 11 . 1 1 49 49 VAL N N 49 118.816 118.816 120.609 -1.793 18171 3778 1 11 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.689 -0.051 18171 3779 1 11 . 1 1 49 49 VAL C C 49 177.777 177.777 177.839 -0.062 18171 3780 1 11 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.590 -0.133 18171 3781 1 11 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.161 -1.095 18171 3782 1 11 . 1 1 49 49 VAL H H 49 7.319 7.319 7.492 -0.173 18171 3783 1 11 . 1 1 50 50 PHE N N 50 120.305 120.305 119.255 1.050 18171 3784 1 11 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.122 0.014 18171 3785 1 11 . 1 1 50 50 PHE C C 50 178.505 178.505 177.851 0.654 18171 3786 1 11 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.612 -1.072 18171 3787 1 11 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.777 -0.468 18171 3788 1 11 . 1 1 50 50 PHE H H 50 8.529 8.529 9.117 -0.588 18171 3789 1 11 . 1 1 51 51 ASN N N 51 117.888 117.888 117.194 0.694 18171 3790 1 11 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.608 -0.193 18171 3791 1 11 . 1 1 51 51 ASN C C 51 177.863 177.863 177.090 0.773 18171 3792 1 11 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.898 0.270 18171 3793 1 11 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.509 -0.200 18171 3794 1 11 . 1 1 51 51 ASN H H 51 8.886 8.886 8.607 0.279 18171 3795 1 11 . 1 1 52 52 LYS N N 52 120.120 120.120 121.858 -1.738 18171 3796 1 11 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.234 -0.124 18171 3797 1 11 . 1 1 52 52 LYS C C 52 179.002 179.002 178.632 0.370 18171 3798 1 11 . 1 1 52 52 LYS CA C 52 58.974 58.974 58.996 -0.022 18171 3799 1 11 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.461 -0.406 18171 3800 1 11 . 1 1 52 52 LYS H H 52 7.760 7.760 7.249 0.511 18171 3801 1 11 . 1 1 53 53 ILE N N 53 117.988 117.988 119.657 -1.669 18171 3802 1 11 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.468 0.289 18171 3803 1 11 . 1 1 53 53 ILE C C 53 177.686 177.686 176.738 0.948 18171 3804 1 11 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.879 1.162 18171 3805 1 11 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.462 0.206 18171 3806 1 11 . 1 1 53 53 ILE H H 53 8.400 8.400 8.512 -0.112 18171 3807 1 11 . 1 1 54 54 SER N N 54 114.267 114.267 112.318 1.949 18171 3808 1 11 . 1 1 54 54 SER HA H 54 4.050 4.050 4.277 -0.227 18171 3809 1 11 . 1 1 54 54 SER C C 54 175.690 175.690 175.741 -0.051 18171 3810 1 11 . 1 1 54 54 SER CA C 54 61.417 61.417 60.774 0.643 18171 3811 1 11 . 1 1 54 54 SER CB C 54 62.922 62.922 63.606 -0.684 18171 3812 1 11 . 1 1 54 54 SER H H 54 8.042 8.042 7.634 0.408 18171 3813 1 11 . 1 1 55 55 GLN N N 55 118.045 118.045 119.600 -1.555 18171 3814 1 11 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.283 -0.143 18171 3815 1 11 . 1 1 55 55 GLN C C 55 177.193 177.193 178.182 -0.989 18171 3816 1 11 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.553 -0.471 18171 3817 1 11 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.307 -0.587 18171 3818 1 11 . 1 1 55 55 GLN H H 55 7.415 7.415 7.591 -0.176 18171 3819 1 11 . 1 1 56 56 LEU N N 56 118.492 118.492 119.227 -0.735 18171 3820 1 11 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.199 -0.166 18171 3821 1 11 . 1 1 56 56 LEU C C 56 176.578 176.578 176.049 0.529 18171 3822 1 11 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.328 -0.423 18171 3823 1 11 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.452 0.097 18171 3824 1 11 . 1 1 56 56 LEU H H 56 7.732 7.732 8.014 -0.282 18171 3825 1 11 . 1 1 57 57 PHE N N 57 116.774 116.774 116.754 0.020 18171 3826 1 11 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.865 0.027 18171 3827 1 11 . 1 1 57 57 PHE C C 57 173.125 173.125 173.364 -0.239 18171 3828 1 11 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.702 1.509 18171 3829 1 11 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.438 0.585 18171 3830 1 11 . 1 1 57 57 PHE H H 57 7.629 7.629 7.747 -0.118 18171 3831 1 11 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.307 0.173 18171 3832 1 11 . 1 1 58 58 PRO C C 58 178.090 178.090 177.900 0.190 18171 3833 1 11 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.402 -0.430 18171 3834 1 11 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.330 -0.403 18171 3835 1 11 . 1 1 59 59 GLY N N 59 108.335 108.335 111.210 -2.875 18171 3836 1 11 . 1 1 59 59 GLY C C 59 174.930 174.930 174.121 0.809 18171 3837 1 11 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.045 0.338 18171 3838 1 11 . 1 1 59 59 GLY H H 59 8.411 8.411 8.503 -0.092 18171 3839 1 11 . 1 1 60 60 MET N N 60 119.206 119.206 116.934 2.272 18171 3840 1 11 . 1 1 60 60 MET HA H 60 4.467 4.467 4.096 0.371 18171 3841 1 11 . 1 1 60 60 MET C C 60 176.320 176.320 176.356 -0.036 18171 3842 1 11 . 1 1 60 60 MET CA C 60 56.395 56.395 56.993 -0.598 18171 3843 1 11 . 1 1 60 60 MET CB C 60 32.964 32.964 31.615 1.349 18171 3844 1 11 . 1 1 60 60 MET H H 60 8.053 8.053 8.169 -0.116 18171 3845 1 11 . 1 1 61 61 THR N N 61 111.041 111.041 111.343 -0.302 18171 3846 1 11 . 1 1 61 61 THR HA H 61 4.402 4.402 4.318 0.084 18171 3847 1 11 . 1 1 61 61 THR C C 61 173.976 173.976 175.003 -1.027 18171 3848 1 11 . 1 1 61 61 THR CA C 61 61.233 61.233 63.534 -2.301 18171 3849 1 11 . 1 1 61 61 THR CB C 61 70.120 70.120 69.124 0.996 18171 3850 1 11 . 1 1 61 61 THR H H 61 7.880 7.880 8.404 -0.524 18171 3851 1 12 . 1 1 2 2 GLU N N 2 115.081 115.081 121.381 -6.300 18171 3852 1 12 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.977 -0.117 18171 3853 1 12 . 1 1 2 2 GLU C C 2 179.259 179.259 178.047 1.212 18171 3854 1 12 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.617 0.743 18171 3855 1 12 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.086 -0.360 18171 3856 1 12 . 1 1 2 2 GLU H H 2 8.756 8.756 8.996 -0.240 18171 3857 1 12 . 1 1 3 3 GLU N N 3 120.051 120.051 118.212 1.839 18171 3858 1 12 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.060 -0.044 18171 3859 1 12 . 1 1 3 3 GLU C C 3 178.863 178.863 178.709 0.154 18171 3860 1 12 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.038 -0.032 18171 3861 1 12 . 1 1 3 3 GLU CB C 3 30.365 30.365 28.915 1.450 18171 3862 1 12 . 1 1 3 3 GLU H H 3 7.722 7.722 8.680 -0.958 18171 3863 1 12 . 1 1 4 4 VAL N N 4 120.223 120.223 120.105 0.118 18171 3864 1 12 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.599 -0.090 18171 3865 1 12 . 1 1 4 4 VAL C C 4 177.687 177.687 177.996 -0.309 18171 3866 1 12 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.475 1.192 18171 3867 1 12 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.856 -0.315 18171 3868 1 12 . 1 1 4 4 VAL H H 4 7.815 7.815 7.401 0.414 18171 3869 1 12 . 1 1 5 5 ILE N N 5 118.475 118.475 118.731 -0.256 18171 3870 1 12 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.591 -0.091 18171 3871 1 12 . 1 1 5 5 ILE C C 5 177.638 177.638 177.680 -0.042 18171 3872 1 12 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.847 -0.486 18171 3873 1 12 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.278 -0.142 18171 3874 1 12 . 1 1 5 5 ILE H H 5 8.293 8.293 7.889 0.404 18171 3875 1 12 . 1 1 6 6 SER N N 6 113.327 113.327 114.309 -0.982 18171 3876 1 12 . 1 1 6 6 SER HA H 6 4.034 4.034 4.246 -0.212 18171 3877 1 12 . 1 1 6 6 SER C C 6 176.398 176.398 176.134 0.264 18171 3878 1 12 . 1 1 6 6 SER CA C 6 61.781 61.781 60.972 0.809 18171 3879 1 12 . 1 1 6 6 SER CB C 6 62.770 62.770 62.846 -0.076 18171 3880 1 12 . 1 1 6 6 SER H H 6 7.740 7.740 7.699 0.041 18171 3881 1 12 . 1 1 7 7 LYS N N 7 119.755 119.755 122.528 -2.773 18171 3882 1 12 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.125 0.018 18171 3883 1 12 . 1 1 7 7 LYS C C 7 179.622 179.622 178.580 1.042 18171 3884 1 12 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.403 -0.397 18171 3885 1 12 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.780 -0.038 18171 3886 1 12 . 1 1 7 7 LYS H H 7 7.523 7.523 7.839 -0.316 18171 3887 1 12 . 1 1 8 8 ILE N N 8 119.544 119.544 120.150 -0.606 18171 3888 1 12 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.682 -0.039 18171 3889 1 12 . 1 1 8 8 ILE C C 8 177.510 177.510 177.273 0.237 18171 3890 1 12 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.232 1.948 18171 3891 1 12 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.182 1.279 18171 3892 1 12 . 1 1 8 8 ILE H H 8 8.132 8.132 7.692 0.440 18171 3893 1 12 . 1 1 9 9 MET N N 9 114.616 114.616 117.997 -3.381 18171 3894 1 12 . 1 1 9 9 MET HA H 9 4.104 4.104 4.165 -0.061 18171 3895 1 12 . 1 1 9 9 MET C C 9 177.018 177.018 176.960 0.058 18171 3896 1 12 . 1 1 9 9 MET CA C 9 56.601 56.601 57.864 -1.263 18171 3897 1 12 . 1 1 9 9 MET CB C 9 31.479 31.479 31.747 -0.268 18171 3898 1 12 . 1 1 9 9 MET H H 9 7.835 7.835 7.590 0.245 18171 3899 1 12 . 1 1 10 10 GLU N N 10 116.206 116.206 118.875 -2.669 18171 3900 1 12 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.167 -0.015 18171 3901 1 12 . 1 1 10 10 GLU C C 10 176.263 176.263 176.978 -0.715 18171 3902 1 12 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.087 -0.005 18171 3903 1 12 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.834 0.176 18171 3904 1 12 . 1 1 10 10 GLU H H 10 7.318 7.318 7.912 -0.594 18171 3905 1 12 . 1 1 11 11 ASN N N 11 119.007 119.007 117.776 1.231 18171 3906 1 12 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.083 0.058 18171 3907 1 12 . 1 1 11 11 ASN C C 11 173.093 173.093 173.103 -0.010 18171 3908 1 12 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.237 -0.528 18171 3909 1 12 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.306 0.794 18171 3910 1 12 . 1 1 11 11 ASN H H 11 7.707 7.707 7.918 -0.211 18171 3911 1 12 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.065 0.218 18171 3912 1 12 . 1 1 12 12 PRO C C 12 177.932 177.932 177.556 0.376 18171 3913 1 12 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.146 0.082 18171 3914 1 12 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.698 0.310 18171 3915 1 12 . 1 1 13 13 ASP N N 13 116.410 116.410 117.180 -0.770 18171 3916 1 12 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.482 -0.057 18171 3917 1 12 . 1 1 13 13 ASP C C 13 178.456 178.456 178.478 -0.022 18171 3918 1 12 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.270 -0.461 18171 3919 1 12 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.789 -0.850 18171 3920 1 12 . 1 1 13 13 ASP H H 13 8.218 8.218 8.405 -0.188 18171 3921 1 12 . 1 1 14 14 VAL N N 14 120.053 120.053 120.615 -0.562 18171 3922 1 12 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.846 -0.064 18171 3923 1 12 . 1 1 14 14 VAL C C 14 177.045 177.045 177.555 -0.510 18171 3924 1 12 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.647 -1.298 18171 3925 1 12 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.417 0.344 18171 3926 1 12 . 1 1 14 14 VAL H H 14 7.722 7.722 8.173 -0.451 18171 3927 1 12 . 1 1 15 15 ALA N N 15 121.814 121.814 122.933 -1.119 18171 3928 1 12 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.809 0.113 18171 3929 1 12 . 1 1 15 15 ALA C C 15 180.315 180.315 179.298 1.017 18171 3930 1 12 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.212 0.442 18171 3931 1 12 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.212 -0.035 18171 3932 1 12 . 1 1 15 15 ALA H H 15 8.245 8.245 7.481 0.764 18171 3933 1 12 . 1 1 16 16 MET N N 16 114.438 114.438 115.785 -1.347 18171 3934 1 12 . 1 1 16 16 MET HA H 16 4.234 4.234 4.385 -0.151 18171 3935 1 12 . 1 1 16 16 MET C C 16 178.930 178.930 178.899 0.031 18171 3936 1 12 . 1 1 16 16 MET CA C 16 58.011 58.011 56.996 1.015 18171 3937 1 12 . 1 1 16 16 MET CB C 16 32.027 32.027 32.255 -0.228 18171 3938 1 12 . 1 1 16 16 MET H H 16 7.878 7.878 7.727 0.151 18171 3939 1 12 . 1 1 17 17 ALA N N 17 123.280 123.280 123.597 -0.317 18171 3940 1 12 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.221 -0.043 18171 3941 1 12 . 1 1 17 17 ALA C C 17 179.091 179.091 179.551 -0.460 18171 3942 1 12 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.773 -0.210 18171 3943 1 12 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.074 0.317 18171 3944 1 12 . 1 1 17 17 ALA H H 17 7.647 7.647 7.961 -0.314 18171 3945 1 12 . 1 1 18 18 PHE N N 18 114.808 114.808 117.016 -2.208 18171 3946 1 12 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.264 -0.146 18171 3947 1 12 . 1 1 18 18 PHE C C 18 175.169 175.169 176.574 -1.405 18171 3948 1 12 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.434 -1.000 18171 3949 1 12 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.817 0.226 18171 3950 1 12 . 1 1 18 18 PHE H H 18 8.032 8.032 8.736 -0.704 18171 3951 1 12 . 1 1 19 19 GLN N N 19 114.221 114.221 117.244 -3.023 18171 3952 1 12 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.234 -0.167 18171 3953 1 12 . 1 1 19 19 GLN C C 19 175.843 175.843 176.017 -0.174 18171 3954 1 12 . 1 1 19 19 GLN CA C 19 56.147 56.147 56.036 0.111 18171 3955 1 12 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.827 -0.207 18171 3956 1 12 . 1 1 19 19 GLN H H 19 7.414 7.414 7.532 -0.118 18171 3957 1 12 . 1 1 20 20 ASN N N 20 119.994 119.994 120.592 -0.598 18171 3958 1 12 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.198 -0.315 18171 3959 1 12 . 1 1 20 20 ASN C C 20 174.726 174.726 173.941 0.785 18171 3960 1 12 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.122 0.479 18171 3961 1 12 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.590 -0.333 18171 3962 1 12 . 1 1 20 20 ASN H H 20 7.497 7.497 7.926 -0.429 18171 3963 1 12 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.476 -0.287 18171 3964 1 12 . 1 1 21 21 PRO C C 21 178.747 178.747 178.371 0.376 18171 3965 1 12 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.576 -0.530 18171 3966 1 12 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.406 -0.285 18171 3967 1 12 . 1 1 22 22 ARG N N 22 117.899 117.899 118.788 -0.889 18171 3968 1 12 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.985 0.108 18171 3969 1 12 . 1 1 22 22 ARG C C 22 178.827 178.827 178.401 0.426 18171 3970 1 12 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.963 0.023 18171 3971 1 12 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.424 1.008 18171 3972 1 12 . 1 1 22 22 ARG H H 22 8.066 8.066 8.589 -0.523 18171 3973 1 12 . 1 1 23 23 VAL N N 23 119.694 119.694 119.508 0.186 18171 3974 1 12 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.714 -0.330 18171 3975 1 12 . 1 1 23 23 VAL C C 23 177.319 177.319 177.653 -0.334 18171 3976 1 12 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.206 -0.458 18171 3977 1 12 . 1 1 23 23 VAL CB C 23 31.521 31.521 30.955 0.566 18171 3978 1 12 . 1 1 23 23 VAL H H 23 7.199 7.199 7.437 -0.238 18171 3979 1 12 . 1 1 24 24 GLN N N 24 117.842 117.842 119.769 -1.927 18171 3980 1 12 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.705 -0.072 18171 3981 1 12 . 1 1 24 24 GLN C C 24 177.902 177.902 178.150 -0.248 18171 3982 1 12 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.138 0.531 18171 3983 1 12 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.538 -0.518 18171 3984 1 12 . 1 1 24 24 GLN H H 24 7.790 7.790 7.869 -0.079 18171 3985 1 12 . 1 1 25 25 ALA N N 25 119.267 119.267 120.709 -1.442 18171 3986 1 12 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.042 0.004 18171 3987 1 12 . 1 1 25 25 ALA C C 25 179.854 179.854 179.044 0.810 18171 3988 1 12 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.619 0.427 18171 3989 1 12 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.139 -0.315 18171 3990 1 12 . 1 1 25 25 ALA H H 25 7.808 7.808 8.556 -0.748 18171 3991 1 12 . 1 1 26 26 ALA N N 26 120.738 120.738 122.000 -1.262 18171 3992 1 12 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.650 0.271 18171 3993 1 12 . 1 1 26 26 ALA C C 26 179.988 179.988 179.773 0.215 18171 3994 1 12 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.543 0.656 18171 3995 1 12 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.898 0.273 18171 3996 1 12 . 1 1 26 26 ALA H H 26 7.500 7.500 7.453 0.047 18171 3997 1 12 . 1 1 27 27 LEU N N 27 118.511 118.511 118.977 -0.466 18171 3998 1 12 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.130 -0.217 18171 3999 1 12 . 1 1 27 27 LEU C C 27 179.923 179.923 179.163 0.760 18171 4000 1 12 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.979 0.080 18171 4001 1 12 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.917 -0.989 18171 4002 1 12 . 1 1 27 27 LEU H H 27 8.324 8.324 8.093 0.231 18171 4003 1 12 . 1 1 28 28 MET N N 28 118.681 118.681 116.952 1.729 18171 4004 1 12 . 1 1 28 28 MET HA H 28 4.144 4.144 4.048 0.096 18171 4005 1 12 . 1 1 28 28 MET C C 28 179.635 179.635 178.979 0.656 18171 4006 1 12 . 1 1 28 28 MET CA C 28 58.734 58.734 59.067 -0.333 18171 4007 1 12 . 1 1 28 28 MET CB C 28 31.901 31.901 32.409 -0.508 18171 4008 1 12 . 1 1 28 28 MET H H 28 8.127 8.127 8.326 -0.199 18171 4009 1 12 . 1 1 29 29 GLU N N 29 119.813 119.813 119.181 0.632 18171 4010 1 12 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.192 0.034 18171 4011 1 12 . 1 1 29 29 GLU C C 29 180.544 180.544 179.005 1.539 18171 4012 1 12 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.916 0.780 18171 4013 1 12 . 1 1 29 29 GLU CB C 29 29.677 29.677 30.032 -0.355 18171 4014 1 12 . 1 1 29 29 GLU H H 29 8.302 8.302 8.240 0.062 18171 4015 1 12 . 1 1 30 30 CYS N N 30 118.465 118.465 119.690 -1.225 18171 4016 1 12 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.313 0.140 18171 4017 1 12 . 1 1 30 30 CYS C C 30 175.357 175.357 175.959 -0.602 18171 4018 1 12 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.266 0.216 18171 4019 1 12 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.553 0.237 18171 4020 1 12 . 1 1 30 30 CYS H H 30 8.465 8.465 8.035 0.430 18171 4021 1 12 . 1 1 31 31 SER N N 31 114.366 114.366 113.833 0.533 18171 4022 1 12 . 1 1 31 31 SER HA H 31 4.174 4.174 4.229 -0.055 18171 4023 1 12 . 1 1 31 31 SER C C 31 175.371 175.371 176.029 -0.658 18171 4024 1 12 . 1 1 31 31 SER CA C 31 60.932 60.932 60.946 -0.014 18171 4025 1 12 . 1 1 31 31 SER CB C 31 62.749 62.749 63.261 -0.512 18171 4026 1 12 . 1 1 31 31 SER H H 31 7.859 7.859 7.725 0.134 18171 4027 1 12 . 1 1 32 32 GLU N N 32 119.996 119.996 119.347 0.649 18171 4028 1 12 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.225 -0.021 18171 4029 1 12 . 1 1 32 32 GLU C C 32 176.983 176.983 176.632 0.351 18171 4030 1 12 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.163 -0.191 18171 4031 1 12 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.530 -0.453 18171 4032 1 12 . 1 1 32 32 GLU H H 32 7.254 7.254 7.948 -0.694 18171 4033 1 12 . 1 1 33 33 ASN N N 33 113.026 113.026 111.895 1.131 18171 4034 1 12 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.894 0.079 18171 4035 1 12 . 1 1 33 33 ASN C C 33 173.504 173.504 173.009 0.495 18171 4036 1 12 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.635 -0.899 18171 4037 1 12 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.855 1.629 18171 4038 1 12 . 1 1 33 33 ASN H H 33 7.370 7.370 7.646 -0.276 18171 4039 1 12 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.340 0.234 18171 4040 1 12 . 1 1 34 34 PRO C C 34 178.270 178.270 177.318 0.952 18171 4041 1 12 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.084 -0.257 18171 4042 1 12 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.761 -0.007 18171 4043 1 12 . 1 1 35 35 MET N N 35 115.258 115.258 113.373 1.885 18171 4044 1 12 . 1 1 35 35 MET HA H 35 4.330 4.330 4.263 0.067 18171 4045 1 12 . 1 1 35 35 MET C C 35 178.569 178.569 176.847 1.722 18171 4046 1 12 . 1 1 35 35 MET CA C 35 57.050 57.050 56.514 0.536 18171 4047 1 12 . 1 1 35 35 MET CB C 35 31.300 31.300 30.657 0.643 18171 4048 1 12 . 1 1 35 35 MET H H 35 7.962 7.962 8.300 -0.338 18171 4049 1 12 . 1 1 36 36 ASN N N 36 117.357 117.357 116.793 0.564 18171 4050 1 12 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.745 -0.172 18171 4051 1 12 . 1 1 36 36 ASN C C 36 176.470 176.470 177.084 -0.614 18171 4052 1 12 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.007 0.119 18171 4053 1 12 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.768 0.674 18171 4054 1 12 . 1 1 36 36 ASN H H 36 8.462 8.462 8.219 0.243 18171 4055 1 12 . 1 1 37 37 ILE N N 37 121.622 121.622 121.740 -0.118 18171 4056 1 12 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.870 0.240 18171 4057 1 12 . 1 1 37 37 ILE C C 37 177.331 177.331 176.453 0.878 18171 4058 1 12 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.199 0.389 18171 4059 1 12 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.018 -0.003 18171 4060 1 12 . 1 1 37 37 ILE H H 37 7.820 7.820 7.470 0.350 18171 4061 1 12 . 1 1 38 38 MET N N 38 118.071 118.071 117.554 0.517 18171 4062 1 12 . 1 1 38 38 MET HA H 38 4.174 4.174 4.159 0.015 18171 4063 1 12 . 1 1 38 38 MET C C 38 178.456 178.456 176.270 2.186 18171 4064 1 12 . 1 1 38 38 MET CA C 38 57.563 57.563 57.288 0.275 18171 4065 1 12 . 1 1 38 38 MET CB C 38 31.533 31.533 31.350 0.183 18171 4066 1 12 . 1 1 38 38 MET H H 38 7.479 7.479 7.531 -0.052 18171 4067 1 12 . 1 1 39 39 LYS N N 39 117.427 117.427 117.261 0.166 18171 4068 1 12 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.268 -0.321 18171 4069 1 12 . 1 1 39 39 LYS C C 39 177.456 177.456 177.842 -0.386 18171 4070 1 12 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.864 1.149 18171 4071 1 12 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.898 -2.125 18171 4072 1 12 . 1 1 39 39 LYS H H 39 7.580 7.580 7.430 0.150 18171 4073 1 12 . 1 1 40 40 TYR N N 40 116.049 116.049 119.770 -3.721 18171 4074 1 12 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.405 0.125 18171 4075 1 12 . 1 1 40 40 TYR C C 40 175.635 175.635 177.928 -2.293 18171 4076 1 12 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.572 -0.174 18171 4077 1 12 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.167 2.322 18171 4078 1 12 . 1 1 40 40 TYR H H 40 7.651 7.651 7.299 0.352 18171 4079 1 12 . 1 1 41 41 GLN N N 41 116.626 116.626 119.289 -2.663 18171 4080 1 12 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.970 0.363 18171 4081 1 12 . 1 1 41 41 GLN C C 41 175.887 175.887 176.891 -1.004 18171 4082 1 12 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.759 -0.173 18171 4083 1 12 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.898 1.149 18171 4084 1 12 . 1 1 41 41 GLN H H 41 7.001 7.001 7.736 -0.735 18171 4085 1 12 . 1 1 42 42 ASN N N 42 114.491 114.491 115.986 -1.495 18171 4086 1 12 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.653 0.209 18171 4087 1 12 . 1 1 42 42 ASN C C 42 173.784 173.784 175.464 -1.680 18171 4088 1 12 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.878 -1.346 18171 4089 1 12 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.530 -0.942 18171 4090 1 12 . 1 1 42 42 ASN H H 42 8.281 8.281 7.536 0.745 18171 4091 1 12 . 1 1 43 43 ASP N N 43 122.981 122.981 122.041 0.940 18171 4092 1 12 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.634 0.121 18171 4093 1 12 . 1 1 43 43 ASP C C 43 174.773 174.773 176.367 -1.594 18171 4094 1 12 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.376 -0.769 18171 4095 1 12 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.700 0.669 18171 4096 1 12 . 1 1 43 43 ASP H H 43 7.960 7.960 7.865 0.095 18171 4097 1 12 . 1 1 44 44 LYS N N 44 125.893 125.893 127.571 -1.678 18171 4098 1 12 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.871 -0.011 18171 4099 1 12 . 1 1 44 44 LYS C C 44 177.796 177.796 178.238 -0.442 18171 4100 1 12 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.336 0.460 18171 4101 1 12 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.520 0.016 18171 4102 1 12 . 1 1 44 44 LYS H H 44 8.361 8.361 8.099 0.262 18171 4103 1 12 . 1 1 45 45 GLU N N 45 116.698 116.698 119.139 -2.441 18171 4104 1 12 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.141 -0.074 18171 4105 1 12 . 1 1 45 45 GLU C C 45 178.724 178.724 178.899 -0.175 18171 4106 1 12 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.242 0.213 18171 4107 1 12 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.388 0.369 18171 4108 1 12 . 1 1 45 45 GLU H H 45 8.127 8.127 8.190 -0.063 18171 4109 1 12 . 1 1 46 46 VAL N N 46 117.476 117.476 119.643 -2.167 18171 4110 1 12 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.693 -0.279 18171 4111 1 12 . 1 1 46 46 VAL C C 46 177.879 177.879 178.005 -0.126 18171 4112 1 12 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.784 0.646 18171 4113 1 12 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.592 0.436 18171 4114 1 12 . 1 1 46 46 VAL H H 46 7.452 7.452 7.724 -0.272 18171 4115 1 12 . 1 1 47 47 MET N N 47 117.027 117.027 119.349 -2.322 18171 4116 1 12 . 1 1 47 47 MET HA H 47 4.479 4.479 4.218 0.261 18171 4117 1 12 . 1 1 47 47 MET C C 47 179.307 179.307 177.605 1.702 18171 4118 1 12 . 1 1 47 47 MET CA C 47 56.809 56.809 58.751 -1.942 18171 4119 1 12 . 1 1 47 47 MET CB C 47 30.371 30.371 31.711 -1.340 18171 4120 1 12 . 1 1 47 47 MET H H 47 8.542 8.542 8.364 0.178 18171 4121 1 12 . 1 1 48 48 ASP N N 48 119.811 119.811 120.231 -0.420 18171 4122 1 12 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.475 0.017 18171 4123 1 12 . 1 1 48 48 ASP C C 48 179.136 179.136 178.973 0.163 18171 4124 1 12 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.268 0.303 18171 4125 1 12 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.933 -0.480 18171 4126 1 12 . 1 1 48 48 ASP H H 48 8.580 8.580 7.857 0.723 18171 4127 1 12 . 1 1 49 49 VAL N N 49 118.816 118.816 120.337 -1.521 18171 4128 1 12 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.692 -0.054 18171 4129 1 12 . 1 1 49 49 VAL C C 49 177.777 177.777 177.948 -0.171 18171 4130 1 12 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.601 -0.144 18171 4131 1 12 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.153 -1.087 18171 4132 1 12 . 1 1 49 49 VAL H H 49 7.319 7.319 7.485 -0.166 18171 4133 1 12 . 1 1 50 50 PHE N N 50 120.305 120.305 118.532 1.773 18171 4134 1 12 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.214 -0.078 18171 4135 1 12 . 1 1 50 50 PHE C C 50 178.505 178.505 177.945 0.560 18171 4136 1 12 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.915 -0.375 18171 4137 1 12 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.574 -0.265 18171 4138 1 12 . 1 1 50 50 PHE H H 50 8.529 8.529 9.205 -0.676 18171 4139 1 12 . 1 1 51 51 ASN N N 51 117.888 117.888 117.203 0.685 18171 4140 1 12 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.556 -0.141 18171 4141 1 12 . 1 1 51 51 ASN C C 51 177.863 177.863 177.230 0.633 18171 4142 1 12 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.012 0.156 18171 4143 1 12 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.642 -0.333 18171 4144 1 12 . 1 1 51 51 ASN H H 51 8.886 8.886 8.510 0.376 18171 4145 1 12 . 1 1 52 52 LYS N N 52 120.120 120.120 121.363 -1.243 18171 4146 1 12 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.048 0.062 18171 4147 1 12 . 1 1 52 52 LYS C C 52 179.002 179.002 178.476 0.526 18171 4148 1 12 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.062 -0.088 18171 4149 1 12 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.439 -0.384 18171 4150 1 12 . 1 1 52 52 LYS H H 52 7.760 7.760 7.329 0.431 18171 4151 1 12 . 1 1 53 53 ILE N N 53 117.988 117.988 120.100 -2.112 18171 4152 1 12 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.506 0.251 18171 4153 1 12 . 1 1 53 53 ILE C C 53 177.686 177.686 177.708 -0.022 18171 4154 1 12 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.901 0.140 18171 4155 1 12 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.709 -0.042 18171 4156 1 12 . 1 1 53 53 ILE H H 53 8.400 8.400 8.705 -0.305 18171 4157 1 12 . 1 1 54 54 SER N N 54 114.267 114.267 113.872 0.395 18171 4158 1 12 . 1 1 54 54 SER HA H 54 4.050 4.050 4.239 -0.189 18171 4159 1 12 . 1 1 54 54 SER C C 54 175.690 175.690 176.108 -0.418 18171 4160 1 12 . 1 1 54 54 SER CA C 54 61.417 61.417 60.632 0.785 18171 4161 1 12 . 1 1 54 54 SER CB C 54 62.922 62.922 63.014 -0.092 18171 4162 1 12 . 1 1 54 54 SER H H 54 8.042 8.042 7.591 0.451 18171 4163 1 12 . 1 1 55 55 GLN N N 55 118.045 118.045 119.531 -1.486 18171 4164 1 12 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.078 0.062 18171 4165 1 12 . 1 1 55 55 GLN C C 55 177.193 177.193 177.879 -0.686 18171 4166 1 12 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.935 -0.853 18171 4167 1 12 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.997 -0.277 18171 4168 1 12 . 1 1 55 55 GLN H H 55 7.415 7.415 7.495 -0.080 18171 4169 1 12 . 1 1 56 56 LEU N N 56 118.492 118.492 117.573 0.919 18171 4170 1 12 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.101 -0.068 18171 4171 1 12 . 1 1 56 56 LEU C C 56 176.578 176.578 176.489 0.089 18171 4172 1 12 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.153 -0.248 18171 4173 1 12 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.650 -0.101 18171 4174 1 12 . 1 1 56 56 LEU H H 56 7.732 7.732 7.809 -0.077 18171 4175 1 12 . 1 1 57 57 PHE N N 57 116.774 116.774 115.276 1.498 18171 4176 1 12 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.932 -0.040 18171 4177 1 12 . 1 1 57 57 PHE C C 57 173.125 173.125 173.738 -0.613 18171 4178 1 12 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.666 1.545 18171 4179 1 12 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.816 1.207 18171 4180 1 12 . 1 1 57 57 PHE H H 57 7.629 7.629 7.270 0.359 18171 4181 1 12 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.412 0.068 18171 4182 1 12 . 1 1 58 58 PRO C C 58 178.090 178.090 177.102 0.988 18171 4183 1 12 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.826 0.146 18171 4184 1 12 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.372 -0.445 18171 4185 1 12 . 1 1 59 59 GLY N N 59 108.335 108.335 106.561 1.774 18171 4186 1 12 . 1 1 59 59 GLY C C 59 174.930 174.930 173.491 1.439 18171 4187 1 12 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.627 -0.243 18171 4188 1 12 . 1 1 59 59 GLY H H 59 8.411 8.411 8.223 0.188 18171 4189 1 12 . 1 1 60 60 MET N N 60 119.206 119.206 122.064 -2.858 18171 4190 1 12 . 1 1 60 60 MET HA H 60 4.467 4.467 4.428 0.039 18171 4191 1 12 . 1 1 60 60 MET C C 60 176.320 176.320 175.741 0.579 18171 4192 1 12 . 1 1 60 60 MET CA C 60 56.395 56.395 56.424 -0.029 18171 4193 1 12 . 1 1 60 60 MET CB C 60 32.964 32.964 30.731 2.233 18171 4194 1 12 . 1 1 60 60 MET H H 60 8.053 8.053 8.270 -0.217 18171 4195 1 12 . 1 1 61 61 THR N N 61 111.041 111.041 116.793 -5.752 18171 4196 1 12 . 1 1 61 61 THR HA H 61 4.402 4.402 4.365 0.037 18171 4197 1 12 . 1 1 61 61 THR C C 61 173.976 173.976 175.018 -1.042 18171 4198 1 12 . 1 1 61 61 THR CA C 61 61.233 61.233 62.020 -0.787 18171 4199 1 12 . 1 1 61 61 THR CB C 61 70.120 70.120 70.198 -0.078 18171 4200 1 12 . 1 1 61 61 THR H H 61 7.880 7.880 8.022 -0.142 18171 4201 1 13 . 1 1 2 2 GLU N N 2 115.081 115.081 121.204 -6.123 18171 4202 1 13 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.986 -0.126 18171 4203 1 13 . 1 1 2 2 GLU C C 2 179.259 179.259 178.298 0.961 18171 4204 1 13 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.199 1.161 18171 4205 1 13 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.287 -0.561 18171 4206 1 13 . 1 1 2 2 GLU H H 2 8.756 8.756 8.950 -0.195 18171 4207 1 13 . 1 1 3 3 GLU N N 3 120.051 120.051 119.179 0.872 18171 4208 1 13 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.067 -0.051 18171 4209 1 13 . 1 1 3 3 GLU C C 3 178.863 178.863 178.670 0.193 18171 4210 1 13 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.392 -0.386 18171 4211 1 13 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.313 1.052 18171 4212 1 13 . 1 1 3 3 GLU H H 3 7.722 7.722 8.448 -0.726 18171 4213 1 13 . 1 1 4 4 VAL N N 4 120.223 120.223 118.812 1.411 18171 4214 1 13 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.727 -0.218 18171 4215 1 13 . 1 1 4 4 VAL C C 4 177.687 177.687 178.319 -0.632 18171 4216 1 13 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.768 0.899 18171 4217 1 13 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.833 -0.292 18171 4218 1 13 . 1 1 4 4 VAL H H 4 7.815 7.815 7.394 0.421 18171 4219 1 13 . 1 1 5 5 ILE N N 5 118.475 118.475 119.871 -1.396 18171 4220 1 13 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.502 -0.002 18171 4221 1 13 . 1 1 5 5 ILE C C 5 177.638 177.638 177.434 0.204 18171 4222 1 13 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.784 -0.423 18171 4223 1 13 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.103 0.033 18171 4224 1 13 . 1 1 5 5 ILE H H 5 8.293 8.293 8.257 0.036 18171 4225 1 13 . 1 1 6 6 SER N N 6 113.327 113.327 115.029 -1.702 18171 4226 1 13 . 1 1 6 6 SER HA H 6 4.034 4.034 4.203 -0.169 18171 4227 1 13 . 1 1 6 6 SER C C 6 176.398 176.398 176.102 0.296 18171 4228 1 13 . 1 1 6 6 SER CA C 6 61.781 61.781 60.981 0.800 18171 4229 1 13 . 1 1 6 6 SER CB C 6 62.770 62.770 63.095 -0.325 18171 4230 1 13 . 1 1 6 6 SER H H 6 7.740 7.740 7.742 -0.002 18171 4231 1 13 . 1 1 7 7 LYS N N 7 119.755 119.755 122.143 -2.388 18171 4232 1 13 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.065 0.078 18171 4233 1 13 . 1 1 7 7 LYS C C 7 179.622 179.622 178.472 1.150 18171 4234 1 13 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.241 -0.235 18171 4235 1 13 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.882 -0.140 18171 4236 1 13 . 1 1 7 7 LYS H H 7 7.523 7.523 7.900 -0.377 18171 4237 1 13 . 1 1 8 8 ILE N N 8 119.544 119.544 120.426 -0.882 18171 4238 1 13 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.775 -0.132 18171 4239 1 13 . 1 1 8 8 ILE C C 8 177.510 177.510 177.083 0.427 18171 4240 1 13 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.766 1.415 18171 4241 1 13 . 1 1 8 8 ILE CB C 8 37.461 37.461 37.875 -0.414 18171 4242 1 13 . 1 1 8 8 ILE H H 8 8.132 8.132 7.391 0.741 18171 4243 1 13 . 1 1 9 9 MET N N 9 114.616 114.616 116.928 -2.312 18171 4244 1 13 . 1 1 9 9 MET HA H 9 4.104 4.104 4.121 -0.017 18171 4245 1 13 . 1 1 9 9 MET C C 9 177.018 177.018 176.446 0.572 18171 4246 1 13 . 1 1 9 9 MET CA C 9 56.601 56.601 57.388 -0.787 18171 4247 1 13 . 1 1 9 9 MET CB C 9 31.479 31.479 31.845 -0.366 18171 4248 1 13 . 1 1 9 9 MET H H 9 7.835 7.835 7.263 0.572 18171 4249 1 13 . 1 1 10 10 GLU N N 10 116.206 116.206 117.595 -1.389 18171 4250 1 13 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.045 0.107 18171 4251 1 13 . 1 1 10 10 GLU C C 10 176.263 176.263 177.032 -0.769 18171 4252 1 13 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.342 -0.259 18171 4253 1 13 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.396 0.614 18171 4254 1 13 . 1 1 10 10 GLU H H 10 7.318 7.318 7.550 -0.232 18171 4255 1 13 . 1 1 11 11 ASN N N 11 119.007 119.007 117.252 1.755 18171 4256 1 13 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.061 0.080 18171 4257 1 13 . 1 1 11 11 ASN C C 11 173.093 173.093 173.323 -0.230 18171 4258 1 13 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.368 0.341 18171 4259 1 13 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.011 0.089 18171 4260 1 13 . 1 1 11 11 ASN H H 11 7.707 7.707 7.597 0.110 18171 4261 1 13 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.122 0.161 18171 4262 1 13 . 1 1 12 12 PRO C C 12 177.932 177.932 177.671 0.261 18171 4263 1 13 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.130 0.098 18171 4264 1 13 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.746 0.262 18171 4265 1 13 . 1 1 13 13 ASP N N 13 116.410 116.410 116.380 0.030 18171 4266 1 13 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.449 -0.024 18171 4267 1 13 . 1 1 13 13 ASP C C 13 178.456 178.456 178.268 0.188 18171 4268 1 13 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.175 -0.366 18171 4269 1 13 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.575 -0.636 18171 4270 1 13 . 1 1 13 13 ASP H H 13 8.218 8.218 8.313 -0.095 18171 4271 1 13 . 1 1 14 14 VAL N N 14 120.053 120.053 120.635 -0.582 18171 4272 1 13 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.791 -0.009 18171 4273 1 13 . 1 1 14 14 VAL C C 14 177.045 177.045 177.638 -0.593 18171 4274 1 13 . 1 1 14 14 VAL CA C 14 64.350 64.350 66.097 -1.747 18171 4275 1 13 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.475 0.286 18171 4276 1 13 . 1 1 14 14 VAL H H 14 7.722 7.722 8.247 -0.525 18171 4277 1 13 . 1 1 15 15 ALA N N 15 121.814 121.814 122.293 -0.479 18171 4278 1 13 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.791 0.131 18171 4279 1 13 . 1 1 15 15 ALA C C 15 180.315 180.315 179.155 1.160 18171 4280 1 13 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.121 0.533 18171 4281 1 13 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.168 0.009 18171 4282 1 13 . 1 1 15 15 ALA H H 15 8.245 8.245 7.542 0.703 18171 4283 1 13 . 1 1 16 16 MET N N 16 114.438 114.438 117.163 -2.725 18171 4284 1 13 . 1 1 16 16 MET HA H 16 4.234 4.234 4.307 -0.073 18171 4285 1 13 . 1 1 16 16 MET C C 16 178.930 178.930 178.599 0.331 18171 4286 1 13 . 1 1 16 16 MET CA C 16 58.011 58.011 58.140 -0.129 18171 4287 1 13 . 1 1 16 16 MET CB C 16 32.027 32.027 32.988 -0.961 18171 4288 1 13 . 1 1 16 16 MET H H 16 7.878 7.878 7.767 0.111 18171 4289 1 13 . 1 1 17 17 ALA N N 17 123.280 123.280 123.535 -0.255 18171 4290 1 13 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.188 -0.010 18171 4291 1 13 . 1 1 17 17 ALA C C 17 179.091 179.091 179.624 -0.533 18171 4292 1 13 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.926 -0.363 18171 4293 1 13 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.075 0.316 18171 4294 1 13 . 1 1 17 17 ALA H H 17 7.647 7.647 8.160 -0.513 18171 4295 1 13 . 1 1 18 18 PHE N N 18 114.808 114.808 116.067 -1.259 18171 4296 1 13 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.241 -0.123 18171 4297 1 13 . 1 1 18 18 PHE C C 18 175.169 175.169 176.445 -1.276 18171 4298 1 13 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.673 -1.239 18171 4299 1 13 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.722 0.321 18171 4300 1 13 . 1 1 18 18 PHE H H 18 8.032 8.032 8.621 -0.589 18171 4301 1 13 . 1 1 19 19 GLN N N 19 114.221 114.221 117.302 -3.081 18171 4302 1 13 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.325 -0.258 18171 4303 1 13 . 1 1 19 19 GLN C C 19 175.843 175.843 175.569 0.274 18171 4304 1 13 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.783 0.364 18171 4305 1 13 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.805 -0.185 18171 4306 1 13 . 1 1 19 19 GLN H H 19 7.414 7.414 7.605 -0.191 18171 4307 1 13 . 1 1 20 20 ASN N N 20 119.994 119.994 119.356 0.638 18171 4308 1 13 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.184 -0.301 18171 4309 1 13 . 1 1 20 20 ASN C C 20 174.726 174.726 174.030 0.696 18171 4310 1 13 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.388 0.213 18171 4311 1 13 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.473 -1.216 18171 4312 1 13 . 1 1 20 20 ASN H H 20 7.497 7.497 7.905 -0.408 18171 4313 1 13 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.429 -0.240 18171 4314 1 13 . 1 1 21 21 PRO C C 21 178.747 178.747 178.344 0.403 18171 4315 1 13 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.690 -0.644 18171 4316 1 13 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.081 0.039 18171 4317 1 13 . 1 1 22 22 ARG N N 22 117.899 117.899 118.737 -0.838 18171 4318 1 13 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.058 0.035 18171 4319 1 13 . 1 1 22 22 ARG C C 22 178.827 178.827 178.392 0.435 18171 4320 1 13 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.498 0.488 18171 4321 1 13 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.899 1.532 18171 4322 1 13 . 1 1 22 22 ARG H H 22 8.066 8.066 8.732 -0.666 18171 4323 1 13 . 1 1 23 23 VAL N N 23 119.694 119.694 120.032 -0.338 18171 4324 1 13 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.730 -0.346 18171 4325 1 13 . 1 1 23 23 VAL C C 23 177.319 177.319 177.849 -0.530 18171 4326 1 13 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.203 -0.455 18171 4327 1 13 . 1 1 23 23 VAL CB C 23 31.521 31.521 30.821 0.700 18171 4328 1 13 . 1 1 23 23 VAL H H 23 7.199 7.199 7.551 -0.352 18171 4329 1 13 . 1 1 24 24 GLN N N 24 117.842 117.842 119.887 -2.045 18171 4330 1 13 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.788 -0.155 18171 4331 1 13 . 1 1 24 24 GLN C C 24 177.902 177.902 178.195 -0.293 18171 4332 1 13 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.274 0.395 18171 4333 1 13 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.571 -0.551 18171 4334 1 13 . 1 1 24 24 GLN H H 24 7.790 7.790 8.292 -0.502 18171 4335 1 13 . 1 1 25 25 ALA N N 25 119.267 119.267 120.693 -1.426 18171 4336 1 13 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.155 -0.109 18171 4337 1 13 . 1 1 25 25 ALA C C 25 179.854 179.854 179.192 0.662 18171 4338 1 13 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.449 0.597 18171 4339 1 13 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.999 -0.175 18171 4340 1 13 . 1 1 25 25 ALA H H 25 7.808 7.808 8.389 -0.581 18171 4341 1 13 . 1 1 26 26 ALA N N 26 120.738 120.738 122.312 -1.574 18171 4342 1 13 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.692 0.229 18171 4343 1 13 . 1 1 26 26 ALA C C 26 179.988 179.988 179.721 0.267 18171 4344 1 13 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.536 0.663 18171 4345 1 13 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.961 0.210 18171 4346 1 13 . 1 1 26 26 ALA H H 26 7.500 7.500 7.421 0.079 18171 4347 1 13 . 1 1 27 27 LEU N N 27 118.511 118.511 119.307 -0.796 18171 4348 1 13 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.148 -0.235 18171 4349 1 13 . 1 1 27 27 LEU C C 27 179.923 179.923 178.862 1.061 18171 4350 1 13 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.953 0.106 18171 4351 1 13 . 1 1 27 27 LEU CB C 27 40.928 40.928 42.012 -1.084 18171 4352 1 13 . 1 1 27 27 LEU H H 27 8.324 8.324 8.314 0.010 18171 4353 1 13 . 1 1 28 28 MET N N 28 118.681 118.681 118.014 0.667 18171 4354 1 13 . 1 1 28 28 MET HA H 28 4.144 4.144 4.060 0.084 18171 4355 1 13 . 1 1 28 28 MET C C 28 179.635 179.635 178.415 1.220 18171 4356 1 13 . 1 1 28 28 MET CA C 28 58.734 58.734 58.886 -0.152 18171 4357 1 13 . 1 1 28 28 MET CB C 28 31.901 31.901 32.532 -0.631 18171 4358 1 13 . 1 1 28 28 MET H H 28 8.127 8.127 8.123 0.004 18171 4359 1 13 . 1 1 29 29 GLU N N 29 119.813 119.813 118.903 0.910 18171 4360 1 13 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.173 0.053 18171 4361 1 13 . 1 1 29 29 GLU C C 29 180.544 180.544 178.938 1.606 18171 4362 1 13 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.834 0.862 18171 4363 1 13 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.991 -0.314 18171 4364 1 13 . 1 1 29 29 GLU H H 29 8.302 8.302 8.259 0.043 18171 4365 1 13 . 1 1 30 30 CYS N N 30 118.465 118.465 119.960 -1.495 18171 4366 1 13 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.270 0.183 18171 4367 1 13 . 1 1 30 30 CYS C C 30 175.357 175.357 175.916 -0.559 18171 4368 1 13 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.980 0.502 18171 4369 1 13 . 1 1 30 30 CYS CB C 30 26.790 26.790 26.548 0.242 18171 4370 1 13 . 1 1 30 30 CYS H H 30 8.465 8.465 8.061 0.404 18171 4371 1 13 . 1 1 31 31 SER N N 31 114.366 114.366 113.814 0.552 18171 4372 1 13 . 1 1 31 31 SER HA H 31 4.174 4.174 4.252 -0.078 18171 4373 1 13 . 1 1 31 31 SER C C 31 175.371 175.371 176.193 -0.822 18171 4374 1 13 . 1 1 31 31 SER CA C 31 60.932 60.932 61.301 -0.369 18171 4375 1 13 . 1 1 31 31 SER CB C 31 62.749 62.749 63.229 -0.480 18171 4376 1 13 . 1 1 31 31 SER H H 31 7.859 7.859 7.716 0.143 18171 4377 1 13 . 1 1 32 32 GLU N N 32 119.996 119.996 119.691 0.305 18171 4378 1 13 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.262 -0.058 18171 4379 1 13 . 1 1 32 32 GLU C C 32 176.983 176.983 176.405 0.578 18171 4380 1 13 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.856 0.116 18171 4381 1 13 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.471 -0.394 18171 4382 1 13 . 1 1 32 32 GLU H H 32 7.254 7.254 7.945 -0.691 18171 4383 1 13 . 1 1 33 33 ASN N N 33 113.026 113.026 112.074 0.952 18171 4384 1 13 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.957 0.016 18171 4385 1 13 . 1 1 33 33 ASN C C 33 173.504 173.504 172.914 0.590 18171 4386 1 13 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.701 -0.965 18171 4387 1 13 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.816 1.669 18171 4388 1 13 . 1 1 33 33 ASN H H 33 7.370 7.370 7.598 -0.228 18171 4389 1 13 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.312 0.262 18171 4390 1 13 . 1 1 34 34 PRO C C 34 178.270 178.270 177.705 0.565 18171 4391 1 13 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.063 -0.236 18171 4392 1 13 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.813 -0.059 18171 4393 1 13 . 1 1 35 35 MET N N 35 115.258 115.258 116.089 -0.831 18171 4394 1 13 . 1 1 35 35 MET HA H 35 4.330 4.330 4.185 0.145 18171 4395 1 13 . 1 1 35 35 MET C C 35 178.569 178.569 176.619 1.950 18171 4396 1 13 . 1 1 35 35 MET CA C 35 57.050 57.050 57.287 -0.237 18171 4397 1 13 . 1 1 35 35 MET CB C 35 31.300 31.300 32.282 -0.982 18171 4398 1 13 . 1 1 35 35 MET H H 35 7.962 7.962 7.932 0.030 18171 4399 1 13 . 1 1 36 36 ASN N N 36 117.357 117.357 119.155 -1.798 18171 4400 1 13 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.555 0.018 18171 4401 1 13 . 1 1 36 36 ASN C C 36 176.470 176.470 177.407 -0.937 18171 4402 1 13 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.541 -0.415 18171 4403 1 13 . 1 1 36 36 ASN CB C 36 38.442 38.442 36.910 1.532 18171 4404 1 13 . 1 1 36 36 ASN H H 36 8.462 8.462 8.239 0.223 18171 4405 1 13 . 1 1 37 37 ILE N N 37 121.622 121.622 121.886 -0.264 18171 4406 1 13 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.795 0.315 18171 4407 1 13 . 1 1 37 37 ILE C C 37 177.331 177.331 177.233 0.098 18171 4408 1 13 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.296 -0.708 18171 4409 1 13 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.861 0.154 18171 4410 1 13 . 1 1 37 37 ILE H H 37 7.820 7.820 7.400 0.420 18171 4411 1 13 . 1 1 38 38 MET N N 38 118.071 118.071 116.085 1.986 18171 4412 1 13 . 1 1 38 38 MET HA H 38 4.174 4.174 4.144 0.030 18171 4413 1 13 . 1 1 38 38 MET C C 38 178.456 178.456 177.346 1.110 18171 4414 1 13 . 1 1 38 38 MET CA C 38 57.563 57.563 57.084 0.478 18171 4415 1 13 . 1 1 38 38 MET CB C 38 31.533 31.533 31.459 0.074 18171 4416 1 13 . 1 1 38 38 MET H H 38 7.479 7.479 7.572 -0.093 18171 4417 1 13 . 1 1 39 39 LYS N N 39 117.427 117.427 118.400 -0.973 18171 4418 1 13 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.129 -0.182 18171 4419 1 13 . 1 1 39 39 LYS C C 39 177.456 177.456 178.574 -1.118 18171 4420 1 13 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.856 0.156 18171 4421 1 13 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.448 -1.675 18171 4422 1 13 . 1 1 39 39 LYS H H 39 7.580 7.580 7.692 -0.112 18171 4423 1 13 . 1 1 40 40 TYR N N 40 116.049 116.049 119.126 -3.077 18171 4424 1 13 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.292 0.238 18171 4425 1 13 . 1 1 40 40 TYR C C 40 175.635 175.635 177.961 -2.326 18171 4426 1 13 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.873 -0.475 18171 4427 1 13 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.727 2.763 18171 4428 1 13 . 1 1 40 40 TYR H H 40 7.651 7.651 7.744 -0.093 18171 4429 1 13 . 1 1 41 41 GLN N N 41 116.626 116.626 119.997 -3.371 18171 4430 1 13 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.950 0.383 18171 4431 1 13 . 1 1 41 41 GLN C C 41 175.887 175.887 176.369 -0.482 18171 4432 1 13 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.657 -0.071 18171 4433 1 13 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.586 1.461 18171 4434 1 13 . 1 1 41 41 GLN H H 41 7.001 7.001 7.811 -0.810 18171 4435 1 13 . 1 1 42 42 ASN N N 42 114.491 114.491 116.123 -1.632 18171 4436 1 13 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.667 0.195 18171 4437 1 13 . 1 1 42 42 ASN C C 42 173.784 173.784 174.811 -1.027 18171 4438 1 13 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.775 -1.243 18171 4439 1 13 . 1 1 42 42 ASN CB C 42 38.588 38.588 40.026 -1.438 18171 4440 1 13 . 1 1 42 42 ASN H H 42 8.281 8.281 7.521 0.760 18171 4441 1 13 . 1 1 43 43 ASP N N 43 122.981 122.981 122.059 0.922 18171 4442 1 13 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.793 -0.038 18171 4443 1 13 . 1 1 43 43 ASP C C 43 174.773 174.773 176.394 -1.621 18171 4444 1 13 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.928 -0.322 18171 4445 1 13 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.693 0.676 18171 4446 1 13 . 1 1 43 43 ASP H H 43 7.960 7.960 8.132 -0.172 18171 4447 1 13 . 1 1 44 44 LYS N N 44 125.893 125.893 126.318 -0.425 18171 4448 1 13 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.924 -0.064 18171 4449 1 13 . 1 1 44 44 LYS C C 44 177.796 177.796 178.572 -0.776 18171 4450 1 13 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.878 -0.082 18171 4451 1 13 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.420 0.116 18171 4452 1 13 . 1 1 44 44 LYS H H 44 8.361 8.361 7.999 0.362 18171 4453 1 13 . 1 1 45 45 GLU N N 45 116.698 116.698 119.326 -2.628 18171 4454 1 13 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.102 -0.035 18171 4455 1 13 . 1 1 45 45 GLU C C 45 178.724 178.724 178.928 -0.204 18171 4456 1 13 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.492 -0.037 18171 4457 1 13 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.167 0.590 18171 4458 1 13 . 1 1 45 45 GLU H H 45 8.127 8.127 7.991 0.136 18171 4459 1 13 . 1 1 46 46 VAL N N 46 117.476 117.476 119.757 -2.281 18171 4460 1 13 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.720 -0.306 18171 4461 1 13 . 1 1 46 46 VAL C C 46 177.879 177.879 178.032 -0.153 18171 4462 1 13 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.173 0.257 18171 4463 1 13 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.445 0.583 18171 4464 1 13 . 1 1 46 46 VAL H H 46 7.452 7.452 7.793 -0.341 18171 4465 1 13 . 1 1 47 47 MET N N 47 117.027 117.027 120.219 -3.192 18171 4466 1 13 . 1 1 47 47 MET HA H 47 4.479 4.479 4.009 0.470 18171 4467 1 13 . 1 1 47 47 MET C C 47 179.307 179.307 178.621 0.686 18171 4468 1 13 . 1 1 47 47 MET CA C 47 56.809 56.809 60.130 -3.321 18171 4469 1 13 . 1 1 47 47 MET CB C 47 30.371 30.371 32.141 -1.770 18171 4470 1 13 . 1 1 47 47 MET H H 47 8.542 8.542 8.260 0.282 18171 4471 1 13 . 1 1 48 48 ASP N N 48 119.811 119.811 119.643 0.168 18171 4472 1 13 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.401 0.091 18171 4473 1 13 . 1 1 48 48 ASP C C 48 179.136 179.136 179.067 0.069 18171 4474 1 13 . 1 1 48 48 ASP CA C 48 57.571 57.571 58.216 -0.645 18171 4475 1 13 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.690 -0.237 18171 4476 1 13 . 1 1 48 48 ASP H H 48 8.580 8.580 8.302 0.278 18171 4477 1 13 . 1 1 49 49 VAL N N 49 118.816 118.816 120.050 -1.234 18171 4478 1 13 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.764 -0.126 18171 4479 1 13 . 1 1 49 49 VAL C C 49 177.777 177.777 177.484 0.293 18171 4480 1 13 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.228 0.230 18171 4481 1 13 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.826 -0.760 18171 4482 1 13 . 1 1 49 49 VAL H H 49 7.319 7.319 7.608 -0.289 18171 4483 1 13 . 1 1 50 50 PHE N N 50 120.305 120.305 119.225 1.080 18171 4484 1 13 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.164 -0.028 18171 4485 1 13 . 1 1 50 50 PHE C C 50 178.505 178.505 178.070 0.435 18171 4486 1 13 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.471 -0.931 18171 4487 1 13 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.737 -0.428 18171 4488 1 13 . 1 1 50 50 PHE H H 50 8.529 8.529 9.140 -0.611 18171 4489 1 13 . 1 1 51 51 ASN N N 51 117.888 117.888 117.430 0.458 18171 4490 1 13 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.517 -0.102 18171 4491 1 13 . 1 1 51 51 ASN C C 51 177.863 177.863 177.135 0.728 18171 4492 1 13 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.929 0.239 18171 4493 1 13 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.622 -0.313 18171 4494 1 13 . 1 1 51 51 ASN H H 51 8.886 8.886 8.609 0.277 18171 4495 1 13 . 1 1 52 52 LYS N N 52 120.120 120.120 121.153 -1.033 18171 4496 1 13 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.049 0.061 18171 4497 1 13 . 1 1 52 52 LYS C C 52 179.002 179.002 178.403 0.599 18171 4498 1 13 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.029 -0.055 18171 4499 1 13 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.408 -0.353 18171 4500 1 13 . 1 1 52 52 LYS H H 52 7.760 7.760 7.131 0.629 18171 4501 1 13 . 1 1 53 53 ILE N N 53 117.988 117.988 119.489 -1.501 18171 4502 1 13 . 1 1 53 53 ILE HA H 53 3.757 3.757 2.766 0.991 18171 4503 1 13 . 1 1 53 53 ILE C C 53 177.686 177.686 177.476 0.210 18171 4504 1 13 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.662 1.379 18171 4505 1 13 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.284 0.383 18171 4506 1 13 . 1 1 53 53 ILE H H 53 8.400 8.400 8.392 0.008 18171 4507 1 13 . 1 1 54 54 SER N N 54 114.267 114.267 112.652 1.615 18171 4508 1 13 . 1 1 54 54 SER HA H 54 4.050 4.050 4.226 -0.176 18171 4509 1 13 . 1 1 54 54 SER C C 54 175.690 175.690 175.930 -0.240 18171 4510 1 13 . 1 1 54 54 SER CA C 54 61.417 61.417 60.116 1.301 18171 4511 1 13 . 1 1 54 54 SER CB C 54 62.922 62.922 63.085 -0.163 18171 4512 1 13 . 1 1 54 54 SER H H 54 8.042 8.042 7.435 0.607 18171 4513 1 13 . 1 1 55 55 GLN N N 55 118.045 118.045 119.358 -1.313 18171 4514 1 13 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.154 -0.014 18171 4515 1 13 . 1 1 55 55 GLN C C 55 177.193 177.193 177.491 -0.298 18171 4516 1 13 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.835 -0.753 18171 4517 1 13 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.229 -0.509 18171 4518 1 13 . 1 1 55 55 GLN H H 55 7.415 7.415 7.470 -0.055 18171 4519 1 13 . 1 1 56 56 LEU N N 56 118.492 118.492 117.698 0.794 18171 4520 1 13 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.325 -0.292 18171 4521 1 13 . 1 1 56 56 LEU C C 56 176.578 176.578 176.886 -0.308 18171 4522 1 13 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.303 -0.398 18171 4523 1 13 . 1 1 56 56 LEU CB C 56 42.549 42.549 43.273 -0.724 18171 4524 1 13 . 1 1 56 56 LEU H H 56 7.732 7.732 8.037 -0.305 18171 4525 1 13 . 1 1 57 57 PHE N N 57 116.774 116.774 113.737 3.037 18171 4526 1 13 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.867 0.025 18171 4527 1 13 . 1 1 57 57 PHE C C 57 173.125 173.125 172.551 0.574 18171 4528 1 13 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.816 0.394 18171 4529 1 13 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.468 0.555 18171 4530 1 13 . 1 1 57 57 PHE H H 57 7.629 7.629 7.284 0.345 18171 4531 1 13 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.255 0.225 18171 4532 1 13 . 1 1 58 58 PRO C C 58 178.090 178.090 178.124 -0.034 18171 4533 1 13 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.514 0.458 18171 4534 1 13 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.637 0.290 18171 4535 1 13 . 1 1 59 59 GLY N N 59 108.335 108.335 112.968 -4.633 18171 4536 1 13 . 1 1 59 59 GLY C C 59 174.930 174.930 173.592 1.338 18171 4537 1 13 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.721 -0.337 18171 4538 1 13 . 1 1 59 59 GLY H H 59 8.411 8.411 8.447 -0.036 18171 4539 1 13 . 1 1 60 60 MET N N 60 119.206 119.206 119.158 0.048 18171 4540 1 13 . 1 1 60 60 MET HA H 60 4.467 4.467 4.771 -0.304 18171 4541 1 13 . 1 1 60 60 MET C C 60 176.320 176.320 175.534 0.786 18171 4542 1 13 . 1 1 60 60 MET CA C 60 56.395 56.395 55.477 0.917 18171 4543 1 13 . 1 1 60 60 MET CB C 60 32.964 32.964 34.391 -1.427 18171 4544 1 13 . 1 1 60 60 MET H H 60 8.053 8.053 8.009 0.044 18171 4545 1 13 . 1 1 61 61 THR N N 61 111.041 111.041 117.378 -6.337 18171 4546 1 13 . 1 1 61 61 THR HA H 61 4.402 4.402 4.235 0.167 18171 4547 1 13 . 1 1 61 61 THR C C 61 173.976 173.976 175.737 -1.761 18171 4548 1 13 . 1 1 61 61 THR CA C 61 61.233 61.233 63.307 -2.074 18171 4549 1 13 . 1 1 61 61 THR CB C 61 70.120 70.120 68.524 1.596 18171 4550 1 13 . 1 1 61 61 THR H H 61 7.880 7.880 8.231 -0.351 18171 4551 1 14 . 1 1 2 2 GLU N N 2 115.081 115.081 120.861 -5.780 18171 4552 1 14 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.070 -0.210 18171 4553 1 14 . 1 1 2 2 GLU C C 2 179.259 179.259 178.196 1.063 18171 4554 1 14 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.176 1.184 18171 4555 1 14 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.003 -0.277 18171 4556 1 14 . 1 1 2 2 GLU H H 2 8.756 8.756 9.147 -0.391 18171 4557 1 14 . 1 1 3 3 GLU N N 3 120.051 120.051 118.853 1.198 18171 4558 1 14 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.043 -0.027 18171 4559 1 14 . 1 1 3 3 GLU C C 3 178.863 178.863 178.827 0.036 18171 4560 1 14 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.032 -0.026 18171 4561 1 14 . 1 1 3 3 GLU CB C 3 30.365 30.365 28.944 1.421 18171 4562 1 14 . 1 1 3 3 GLU H H 3 7.722 7.722 8.520 -0.798 18171 4563 1 14 . 1 1 4 4 VAL N N 4 120.223 120.223 121.209 -0.986 18171 4564 1 14 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.852 -0.343 18171 4565 1 14 . 1 1 4 4 VAL C C 4 177.687 177.687 177.547 0.140 18171 4566 1 14 . 1 1 4 4 VAL CA C 4 66.667 66.667 64.557 2.110 18171 4567 1 14 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.469 0.072 18171 4568 1 14 . 1 1 4 4 VAL H H 4 7.815 7.815 7.449 0.366 18171 4569 1 14 . 1 1 5 5 ILE N N 5 118.475 118.475 119.773 -1.298 18171 4570 1 14 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.583 -0.083 18171 4571 1 14 . 1 1 5 5 ILE C C 5 177.638 177.638 178.067 -0.429 18171 4572 1 14 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.169 -0.809 18171 4573 1 14 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.331 -0.195 18171 4574 1 14 . 1 1 5 5 ILE H H 5 8.293 8.293 8.064 0.229 18171 4575 1 14 . 1 1 6 6 SER N N 6 113.327 113.327 114.662 -1.335 18171 4576 1 14 . 1 1 6 6 SER HA H 6 4.034 4.034 4.230 -0.196 18171 4577 1 14 . 1 1 6 6 SER C C 6 176.398 176.398 176.357 0.041 18171 4578 1 14 . 1 1 6 6 SER CA C 6 61.781 61.781 61.258 0.523 18171 4579 1 14 . 1 1 6 6 SER CB C 6 62.770 62.770 62.691 0.079 18171 4580 1 14 . 1 1 6 6 SER H H 6 7.740 7.740 7.883 -0.143 18171 4581 1 14 . 1 1 7 7 LYS N N 7 119.755 119.755 122.541 -2.786 18171 4582 1 14 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.200 -0.057 18171 4583 1 14 . 1 1 7 7 LYS C C 7 179.622 179.622 178.755 0.867 18171 4584 1 14 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.532 -0.526 18171 4585 1 14 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.898 -0.156 18171 4586 1 14 . 1 1 7 7 LYS H H 7 7.523 7.523 7.824 -0.301 18171 4587 1 14 . 1 1 8 8 ILE N N 8 119.544 119.544 120.479 -0.935 18171 4588 1 14 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.877 -0.234 18171 4589 1 14 . 1 1 8 8 ILE C C 8 177.510 177.510 177.176 0.334 18171 4590 1 14 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.050 2.130 18171 4591 1 14 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.297 1.164 18171 4592 1 14 . 1 1 8 8 ILE H H 8 8.132 8.132 7.749 0.383 18171 4593 1 14 . 1 1 9 9 MET N N 9 114.616 114.616 118.059 -3.443 18171 4594 1 14 . 1 1 9 9 MET HA H 9 4.104 4.104 4.165 -0.061 18171 4595 1 14 . 1 1 9 9 MET C C 9 177.018 177.018 177.551 -0.533 18171 4596 1 14 . 1 1 9 9 MET CA C 9 56.601 56.601 56.753 -0.152 18171 4597 1 14 . 1 1 9 9 MET CB C 9 31.479 31.479 30.838 0.641 18171 4598 1 14 . 1 1 9 9 MET H H 9 7.835 7.835 7.540 0.295 18171 4599 1 14 . 1 1 10 10 GLU N N 10 116.206 116.206 118.843 -2.637 18171 4600 1 14 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.084 0.068 18171 4601 1 14 . 1 1 10 10 GLU C C 10 176.263 176.263 176.754 -0.491 18171 4602 1 14 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.338 -0.255 18171 4603 1 14 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.810 0.200 18171 4604 1 14 . 1 1 10 10 GLU H H 10 7.318 7.318 7.941 -0.623 18171 4605 1 14 . 1 1 11 11 ASN N N 11 119.007 119.007 118.024 0.983 18171 4606 1 14 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.070 0.071 18171 4607 1 14 . 1 1 11 11 ASN C C 11 173.093 173.093 173.139 -0.046 18171 4608 1 14 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.731 -0.022 18171 4609 1 14 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.247 0.853 18171 4610 1 14 . 1 1 11 11 ASN H H 11 7.707 7.707 7.854 -0.147 18171 4611 1 14 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.061 0.222 18171 4612 1 14 . 1 1 12 12 PRO C C 12 177.932 177.932 177.329 0.603 18171 4613 1 14 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.269 -0.041 18171 4614 1 14 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.950 0.058 18171 4615 1 14 . 1 1 13 13 ASP N N 13 116.410 116.410 116.701 -0.291 18171 4616 1 14 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.430 -0.005 18171 4617 1 14 . 1 1 13 13 ASP C C 13 178.456 178.456 178.280 0.176 18171 4618 1 14 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.255 -0.447 18171 4619 1 14 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.916 -0.977 18171 4620 1 14 . 1 1 13 13 ASP H H 13 8.218 8.218 8.407 -0.189 18171 4621 1 14 . 1 1 14 14 VAL N N 14 120.053 120.053 120.562 -0.509 18171 4622 1 14 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.744 0.038 18171 4623 1 14 . 1 1 14 14 VAL C C 14 177.045 177.045 177.488 -0.443 18171 4624 1 14 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.451 -1.101 18171 4625 1 14 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.747 0.014 18171 4626 1 14 . 1 1 14 14 VAL H H 14 7.722 7.722 8.080 -0.358 18171 4627 1 14 . 1 1 15 15 ALA N N 15 121.814 121.814 122.104 -0.290 18171 4628 1 14 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.727 0.195 18171 4629 1 14 . 1 1 15 15 ALA C C 15 180.315 180.315 179.185 1.130 18171 4630 1 14 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.130 0.524 18171 4631 1 14 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.146 0.031 18171 4632 1 14 . 1 1 15 15 ALA H H 15 8.245 8.245 7.574 0.671 18171 4633 1 14 . 1 1 16 16 MET N N 16 114.438 114.438 117.097 -2.659 18171 4634 1 14 . 1 1 16 16 MET HA H 16 4.234 4.234 4.278 -0.044 18171 4635 1 14 . 1 1 16 16 MET C C 16 178.930 178.930 178.521 0.409 18171 4636 1 14 . 1 1 16 16 MET CA C 16 58.011 58.011 58.144 -0.133 18171 4637 1 14 . 1 1 16 16 MET CB C 16 32.027 32.027 32.842 -0.815 18171 4638 1 14 . 1 1 16 16 MET H H 16 7.878 7.878 7.782 0.096 18171 4639 1 14 . 1 1 17 17 ALA N N 17 123.280 123.280 123.479 -0.199 18171 4640 1 14 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.147 0.031 18171 4641 1 14 . 1 1 17 17 ALA C C 17 179.091 179.091 179.477 -0.386 18171 4642 1 14 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.854 -0.291 18171 4643 1 14 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.108 0.283 18171 4644 1 14 . 1 1 17 17 ALA H H 17 7.647 7.647 7.935 -0.288 18171 4645 1 14 . 1 1 18 18 PHE N N 18 114.808 114.808 116.431 -1.623 18171 4646 1 14 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.222 -0.104 18171 4647 1 14 . 1 1 18 18 PHE C C 18 175.169 175.169 176.653 -1.484 18171 4648 1 14 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.116 -0.682 18171 4649 1 14 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.616 0.427 18171 4650 1 14 . 1 1 18 18 PHE H H 18 8.032 8.032 8.718 -0.686 18171 4651 1 14 . 1 1 19 19 GLN N N 19 114.221 114.221 116.872 -2.651 18171 4652 1 14 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.254 -0.187 18171 4653 1 14 . 1 1 19 19 GLN C C 19 175.843 175.843 175.817 0.026 18171 4654 1 14 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.976 0.171 18171 4655 1 14 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.640 -0.020 18171 4656 1 14 . 1 1 19 19 GLN H H 19 7.414 7.414 7.537 -0.123 18171 4657 1 14 . 1 1 20 20 ASN N N 20 119.994 119.994 119.216 0.778 18171 4658 1 14 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.130 -0.247 18171 4659 1 14 . 1 1 20 20 ASN C C 20 174.726 174.726 174.012 0.714 18171 4660 1 14 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.548 0.053 18171 4661 1 14 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.425 -1.168 18171 4662 1 14 . 1 1 20 20 ASN H H 20 7.497 7.497 7.732 -0.235 18171 4663 1 14 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.343 -0.154 18171 4664 1 14 . 1 1 21 21 PRO C C 21 178.747 178.747 178.410 0.337 18171 4665 1 14 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.668 -0.622 18171 4666 1 14 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.141 -0.020 18171 4667 1 14 . 1 1 22 22 ARG N N 22 117.899 117.899 118.262 -0.363 18171 4668 1 14 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.963 0.130 18171 4669 1 14 . 1 1 22 22 ARG C C 22 178.827 178.827 178.249 0.578 18171 4670 1 14 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.326 -0.340 18171 4671 1 14 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.507 0.924 18171 4672 1 14 . 1 1 22 22 ARG H H 22 8.066 8.066 8.319 -0.253 18171 4673 1 14 . 1 1 23 23 VAL N N 23 119.694 119.694 119.720 -0.026 18171 4674 1 14 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.574 -0.190 18171 4675 1 14 . 1 1 23 23 VAL C C 23 177.319 177.319 177.586 -0.267 18171 4676 1 14 . 1 1 23 23 VAL CA C 23 65.748 65.748 65.971 -0.223 18171 4677 1 14 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.213 0.308 18171 4678 1 14 . 1 1 23 23 VAL H H 23 7.199 7.199 7.502 -0.303 18171 4679 1 14 . 1 1 24 24 GLN N N 24 117.842 117.842 119.049 -1.207 18171 4680 1 14 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.617 0.016 18171 4681 1 14 . 1 1 24 24 GLN C C 24 177.902 177.902 178.398 -0.496 18171 4682 1 14 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.145 0.524 18171 4683 1 14 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.310 -0.290 18171 4684 1 14 . 1 1 24 24 GLN H H 24 7.790 7.790 7.882 -0.092 18171 4685 1 14 . 1 1 25 25 ALA N N 25 119.267 119.267 121.013 -1.746 18171 4686 1 14 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.139 -0.093 18171 4687 1 14 . 1 1 25 25 ALA C C 25 179.854 179.854 179.206 0.648 18171 4688 1 14 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.443 0.603 18171 4689 1 14 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.010 -0.186 18171 4690 1 14 . 1 1 25 25 ALA H H 25 7.808 7.808 8.177 -0.369 18171 4691 1 14 . 1 1 26 26 ALA N N 26 120.738 120.738 122.740 -2.002 18171 4692 1 14 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.879 0.042 18171 4693 1 14 . 1 1 26 26 ALA C C 26 179.988 179.988 179.572 0.416 18171 4694 1 14 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.589 0.610 18171 4695 1 14 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.373 -0.202 18171 4696 1 14 . 1 1 26 26 ALA H H 26 7.500 7.500 7.427 0.073 18171 4697 1 14 . 1 1 27 27 LEU N N 27 118.511 118.511 119.247 -0.736 18171 4698 1 14 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.106 -0.193 18171 4699 1 14 . 1 1 27 27 LEU C C 27 179.923 179.923 178.826 1.097 18171 4700 1 14 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.033 0.026 18171 4701 1 14 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.594 -0.666 18171 4702 1 14 . 1 1 27 27 LEU H H 27 8.324 8.324 8.232 0.092 18171 4703 1 14 . 1 1 28 28 MET N N 28 118.681 118.681 118.742 -0.061 18171 4704 1 14 . 1 1 28 28 MET HA H 28 4.144 4.144 4.026 0.118 18171 4705 1 14 . 1 1 28 28 MET C C 28 179.635 179.635 178.702 0.933 18171 4706 1 14 . 1 1 28 28 MET CA C 28 58.734 58.734 58.811 -0.077 18171 4707 1 14 . 1 1 28 28 MET CB C 28 31.901 31.901 32.635 -0.734 18171 4708 1 14 . 1 1 28 28 MET H H 28 8.127 8.127 8.073 0.054 18171 4709 1 14 . 1 1 29 29 GLU N N 29 119.813 119.813 119.498 0.315 18171 4710 1 14 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.149 0.077 18171 4711 1 14 . 1 1 29 29 GLU C C 29 180.544 180.544 178.852 1.692 18171 4712 1 14 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.930 0.766 18171 4713 1 14 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.736 -0.059 18171 4714 1 14 . 1 1 29 29 GLU H H 29 8.302 8.302 8.355 -0.053 18171 4715 1 14 . 1 1 30 30 CYS N N 30 118.465 118.465 118.632 -0.167 18171 4716 1 14 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.289 0.164 18171 4717 1 14 . 1 1 30 30 CYS C C 30 175.357 175.357 175.531 -0.174 18171 4718 1 14 . 1 1 30 30 CYS CA C 30 62.482 62.482 61.788 0.694 18171 4719 1 14 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.032 -0.242 18171 4720 1 14 . 1 1 30 30 CYS H H 30 8.465 8.465 7.961 0.504 18171 4721 1 14 . 1 1 31 31 SER N N 31 114.366 114.366 113.779 0.587 18171 4722 1 14 . 1 1 31 31 SER HA H 31 4.174 4.174 4.236 -0.062 18171 4723 1 14 . 1 1 31 31 SER C C 31 175.371 175.371 175.819 -0.448 18171 4724 1 14 . 1 1 31 31 SER CA C 31 60.932 60.932 60.894 0.038 18171 4725 1 14 . 1 1 31 31 SER CB C 31 62.749 62.749 63.087 -0.337 18171 4726 1 14 . 1 1 31 31 SER H H 31 7.859 7.859 7.805 0.054 18171 4727 1 14 . 1 1 32 32 GLU N N 32 119.996 119.996 119.845 0.151 18171 4728 1 14 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.250 -0.046 18171 4729 1 14 . 1 1 32 32 GLU C C 32 176.983 176.983 176.381 0.602 18171 4730 1 14 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.048 -0.076 18171 4731 1 14 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.397 -0.320 18171 4732 1 14 . 1 1 32 32 GLU H H 32 7.254 7.254 8.102 -0.848 18171 4733 1 14 . 1 1 33 33 ASN N N 33 113.026 113.026 112.037 0.989 18171 4734 1 14 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.887 0.086 18171 4735 1 14 . 1 1 33 33 ASN C C 33 173.504 173.504 173.261 0.243 18171 4736 1 14 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.459 -1.722 18171 4737 1 14 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.129 0.356 18171 4738 1 14 . 1 1 33 33 ASN H H 33 7.370 7.370 7.365 0.005 18171 4739 1 14 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.327 0.247 18171 4740 1 14 . 1 1 34 34 PRO C C 34 178.270 178.270 177.820 0.450 18171 4741 1 14 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.887 -0.060 18171 4742 1 14 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.029 -0.275 18171 4743 1 14 . 1 1 35 35 MET N N 35 115.258 115.258 113.426 1.832 18171 4744 1 14 . 1 1 35 35 MET HA H 35 4.330 4.330 4.296 0.034 18171 4745 1 14 . 1 1 35 35 MET C C 35 178.569 178.569 176.580 1.989 18171 4746 1 14 . 1 1 35 35 MET CA C 35 57.050 57.050 57.402 -0.352 18171 4747 1 14 . 1 1 35 35 MET CB C 35 31.300 31.300 31.464 -0.164 18171 4748 1 14 . 1 1 35 35 MET H H 35 7.962 7.962 7.690 0.272 18171 4749 1 14 . 1 1 36 36 ASN N N 36 117.357 117.357 119.570 -2.213 18171 4750 1 14 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.596 -0.023 18171 4751 1 14 . 1 1 36 36 ASN C C 36 176.470 176.470 177.355 -0.885 18171 4752 1 14 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.616 -0.490 18171 4753 1 14 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.349 1.093 18171 4754 1 14 . 1 1 36 36 ASN H H 36 8.462 8.462 8.314 0.148 18171 4755 1 14 . 1 1 37 37 ILE N N 37 121.622 121.622 121.863 -0.241 18171 4756 1 14 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.931 0.179 18171 4757 1 14 . 1 1 37 37 ILE C C 37 177.331 177.331 177.115 0.216 18171 4758 1 14 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.524 0.064 18171 4759 1 14 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.675 0.340 18171 4760 1 14 . 1 1 37 37 ILE H H 37 7.820 7.820 7.398 0.422 18171 4761 1 14 . 1 1 38 38 MET N N 38 118.071 118.071 117.114 0.957 18171 4762 1 14 . 1 1 38 38 MET HA H 38 4.174 4.174 4.057 0.117 18171 4763 1 14 . 1 1 38 38 MET C C 38 178.456 178.456 177.241 1.215 18171 4764 1 14 . 1 1 38 38 MET CA C 38 57.563 57.563 58.309 -0.746 18171 4765 1 14 . 1 1 38 38 MET CB C 38 31.533 31.533 32.262 -0.729 18171 4766 1 14 . 1 1 38 38 MET H H 38 7.479 7.479 7.538 -0.059 18171 4767 1 14 . 1 1 39 39 LYS N N 39 117.427 117.427 118.317 -0.890 18171 4768 1 14 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.143 -0.196 18171 4769 1 14 . 1 1 39 39 LYS C C 39 177.456 177.456 178.600 -1.144 18171 4770 1 14 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.124 -0.112 18171 4771 1 14 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.364 -1.591 18171 4772 1 14 . 1 1 39 39 LYS H H 39 7.580 7.580 7.501 0.079 18171 4773 1 14 . 1 1 40 40 TYR N N 40 116.049 116.049 119.021 -2.972 18171 4774 1 14 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.330 0.200 18171 4775 1 14 . 1 1 40 40 TYR C C 40 175.635 175.635 178.023 -2.388 18171 4776 1 14 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.993 -0.595 18171 4777 1 14 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.830 2.660 18171 4778 1 14 . 1 1 40 40 TYR H H 40 7.651 7.651 7.546 0.105 18171 4779 1 14 . 1 1 41 41 GLN N N 41 116.626 116.626 119.844 -3.218 18171 4780 1 14 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.944 0.389 18171 4781 1 14 . 1 1 41 41 GLN C C 41 175.887 175.887 176.932 -1.045 18171 4782 1 14 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.330 0.256 18171 4783 1 14 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.320 1.726 18171 4784 1 14 . 1 1 41 41 GLN H H 41 7.001 7.001 7.918 -0.917 18171 4785 1 14 . 1 1 42 42 ASN N N 42 114.491 114.491 116.593 -2.102 18171 4786 1 14 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.682 0.180 18171 4787 1 14 . 1 1 42 42 ASN C C 42 173.784 173.784 175.148 -1.364 18171 4788 1 14 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.745 -1.213 18171 4789 1 14 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.674 -1.086 18171 4790 1 14 . 1 1 42 42 ASN H H 42 8.281 8.281 7.593 0.688 18171 4791 1 14 . 1 1 43 43 ASP N N 43 122.981 122.981 121.844 1.137 18171 4792 1 14 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.781 -0.026 18171 4793 1 14 . 1 1 43 43 ASP C C 43 174.773 174.773 176.417 -1.644 18171 4794 1 14 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.001 -0.394 18171 4795 1 14 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.439 0.930 18171 4796 1 14 . 1 1 43 43 ASP H H 43 7.960 7.960 8.186 -0.226 18171 4797 1 14 . 1 1 44 44 LYS N N 44 125.893 125.893 125.460 0.433 18171 4798 1 14 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.895 -0.035 18171 4799 1 14 . 1 1 44 44 LYS C C 44 177.796 177.796 178.588 -0.792 18171 4800 1 14 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.903 -0.107 18171 4801 1 14 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.451 0.085 18171 4802 1 14 . 1 1 44 44 LYS H H 44 8.361 8.361 7.924 0.437 18171 4803 1 14 . 1 1 45 45 GLU N N 45 116.698 116.698 119.323 -2.625 18171 4804 1 14 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.105 -0.038 18171 4805 1 14 . 1 1 45 45 GLU C C 45 178.724 178.724 178.661 0.063 18171 4806 1 14 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.447 0.008 18171 4807 1 14 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.179 0.578 18171 4808 1 14 . 1 1 45 45 GLU H H 45 8.127 8.127 7.960 0.167 18171 4809 1 14 . 1 1 46 46 VAL N N 46 117.476 117.476 119.854 -2.378 18171 4810 1 14 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.720 -0.306 18171 4811 1 14 . 1 1 46 46 VAL C C 46 177.879 177.879 178.356 -0.477 18171 4812 1 14 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.236 0.194 18171 4813 1 14 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.250 0.778 18171 4814 1 14 . 1 1 46 46 VAL H H 46 7.452 7.452 7.833 -0.381 18171 4815 1 14 . 1 1 47 47 MET N N 47 117.027 117.027 119.599 -2.572 18171 4816 1 14 . 1 1 47 47 MET HA H 47 4.479 4.479 4.158 0.321 18171 4817 1 14 . 1 1 47 47 MET C C 47 179.307 179.307 178.782 0.525 18171 4818 1 14 . 1 1 47 47 MET CA C 47 56.809 56.809 58.355 -1.546 18171 4819 1 14 . 1 1 47 47 MET CB C 47 30.371 30.371 31.038 -0.667 18171 4820 1 14 . 1 1 47 47 MET H H 47 8.542 8.542 8.378 0.164 18171 4821 1 14 . 1 1 48 48 ASP N N 48 119.811 119.811 120.604 -0.793 18171 4822 1 14 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.405 0.087 18171 4823 1 14 . 1 1 48 48 ASP C C 48 179.136 179.136 179.206 -0.070 18171 4824 1 14 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.769 -0.198 18171 4825 1 14 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.338 0.115 18171 4826 1 14 . 1 1 48 48 ASP H H 48 8.580 8.580 8.315 0.265 18171 4827 1 14 . 1 1 49 49 VAL N N 49 118.816 118.816 119.687 -0.871 18171 4828 1 14 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.722 -0.084 18171 4829 1 14 . 1 1 49 49 VAL C C 49 177.777 177.777 177.264 0.513 18171 4830 1 14 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.792 0.665 18171 4831 1 14 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.922 -0.856 18171 4832 1 14 . 1 1 49 49 VAL H H 49 7.319 7.319 7.493 -0.174 18171 4833 1 14 . 1 1 50 50 PHE N N 50 120.305 120.305 120.208 0.097 18171 4834 1 14 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.191 -0.055 18171 4835 1 14 . 1 1 50 50 PHE C C 50 178.505 178.505 177.469 1.036 18171 4836 1 14 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.504 0.036 18171 4837 1 14 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.985 -0.676 18171 4838 1 14 . 1 1 50 50 PHE H H 50 8.529 8.529 8.921 -0.392 18171 4839 1 14 . 1 1 51 51 ASN N N 51 117.888 117.888 117.385 0.503 18171 4840 1 14 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.458 -0.043 18171 4841 1 14 . 1 1 51 51 ASN C C 51 177.863 177.863 177.070 0.793 18171 4842 1 14 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.037 0.131 18171 4843 1 14 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.511 -0.202 18171 4844 1 14 . 1 1 51 51 ASN H H 51 8.886 8.886 8.794 0.092 18171 4845 1 14 . 1 1 52 52 LYS N N 52 120.120 120.120 121.726 -1.606 18171 4846 1 14 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.207 -0.097 18171 4847 1 14 . 1 1 52 52 LYS C C 52 179.002 179.002 178.716 0.286 18171 4848 1 14 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.294 -0.320 18171 4849 1 14 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.516 -0.461 18171 4850 1 14 . 1 1 52 52 LYS H H 52 7.760 7.760 7.524 0.236 18171 4851 1 14 . 1 1 53 53 ILE N N 53 117.988 117.988 119.103 -1.115 18171 4852 1 14 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.533 0.224 18171 4853 1 14 . 1 1 53 53 ILE C C 53 177.686 177.686 177.253 0.433 18171 4854 1 14 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.042 0.999 18171 4855 1 14 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.510 0.157 18171 4856 1 14 . 1 1 53 53 ILE H H 53 8.400 8.400 8.077 0.323 18171 4857 1 14 . 1 1 54 54 SER N N 54 114.267 114.267 112.041 2.226 18171 4858 1 14 . 1 1 54 54 SER HA H 54 4.050 4.050 4.353 -0.303 18171 4859 1 14 . 1 1 54 54 SER C C 54 175.690 175.690 176.253 -0.563 18171 4860 1 14 . 1 1 54 54 SER CA C 54 61.417 61.417 60.698 0.719 18171 4861 1 14 . 1 1 54 54 SER CB C 54 62.922 62.922 63.723 -0.801 18171 4862 1 14 . 1 1 54 54 SER H H 54 8.042 8.042 7.601 0.441 18171 4863 1 14 . 1 1 55 55 GLN N N 55 118.045 118.045 119.819 -1.774 18171 4864 1 14 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.350 -0.210 18171 4865 1 14 . 1 1 55 55 GLN C C 55 177.193 177.193 177.919 -0.726 18171 4866 1 14 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.655 -0.573 18171 4867 1 14 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.435 -0.715 18171 4868 1 14 . 1 1 55 55 GLN H H 55 7.415 7.415 7.702 -0.287 18171 4869 1 14 . 1 1 56 56 LEU N N 56 118.492 118.492 118.375 0.117 18171 4870 1 14 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.198 -0.165 18171 4871 1 14 . 1 1 56 56 LEU C C 56 176.578 176.578 176.959 -0.381 18171 4872 1 14 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.312 -0.407 18171 4873 1 14 . 1 1 56 56 LEU CB C 56 42.549 42.549 41.960 0.589 18171 4874 1 14 . 1 1 56 56 LEU H H 56 7.732 7.732 8.265 -0.533 18171 4875 1 14 . 1 1 57 57 PHE N N 57 116.774 116.774 116.936 -0.162 18171 4876 1 14 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.970 -0.078 18171 4877 1 14 . 1 1 57 57 PHE C C 57 173.125 173.125 173.420 -0.295 18171 4878 1 14 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.349 0.862 18171 4879 1 14 . 1 1 57 57 PHE CB C 57 39.023 39.023 39.082 -0.059 18171 4880 1 14 . 1 1 57 57 PHE H H 57 7.629 7.629 7.835 -0.206 18171 4881 1 14 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.377 0.103 18171 4882 1 14 . 1 1 58 58 PRO C C 58 178.090 178.090 177.616 0.474 18171 4883 1 14 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.941 0.031 18171 4884 1 14 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.804 -0.877 18171 4885 1 14 . 1 1 59 59 GLY N N 59 108.335 108.335 111.599 -3.264 18171 4886 1 14 . 1 1 59 59 GLY C C 59 174.930 174.930 174.552 0.378 18171 4887 1 14 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.219 0.165 18171 4888 1 14 . 1 1 59 59 GLY H H 59 8.411 8.411 8.676 -0.265 18171 4889 1 14 . 1 1 60 60 MET N N 60 119.206 119.206 116.429 2.777 18171 4890 1 14 . 1 1 60 60 MET HA H 60 4.467 4.467 4.111 0.356 18171 4891 1 14 . 1 1 60 60 MET C C 60 176.320 176.320 174.217 2.103 18171 4892 1 14 . 1 1 60 60 MET CA C 60 56.395 56.395 57.194 -0.799 18171 4893 1 14 . 1 1 60 60 MET CB C 60 32.964 32.964 32.174 0.790 18171 4894 1 14 . 1 1 60 60 MET H H 60 8.053 8.053 8.090 -0.037 18171 4895 1 14 . 1 1 61 61 THR N N 61 111.041 111.041 115.711 -4.670 18171 4896 1 14 . 1 1 61 61 THR HA H 61 4.402 4.402 4.547 -0.145 18171 4897 1 14 . 1 1 61 61 THR C C 61 173.976 173.976 173.979 -0.003 18171 4898 1 14 . 1 1 61 61 THR CA C 61 61.233 61.233 61.736 -0.503 18171 4899 1 14 . 1 1 61 61 THR CB C 61 70.120 70.120 70.099 0.021 18171 4900 1 14 . 1 1 61 61 THR H H 61 7.880 7.880 8.164 -0.284 18171 4901 1 15 . 1 1 2 2 GLU N N 2 115.081 115.081 121.480 -6.399 18171 4902 1 15 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.062 -0.202 18171 4903 1 15 . 1 1 2 2 GLU C C 2 179.259 179.259 178.568 0.691 18171 4904 1 15 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.441 0.919 18171 4905 1 15 . 1 1 2 2 GLU CB C 2 28.726 28.726 28.881 -0.155 18171 4906 1 15 . 1 1 2 2 GLU H H 2 8.756 8.756 9.061 -0.305 18171 4907 1 15 . 1 1 3 3 GLU N N 3 120.051 120.051 119.575 0.476 18171 4908 1 15 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.096 -0.080 18171 4909 1 15 . 1 1 3 3 GLU C C 3 178.863 178.863 178.679 0.184 18171 4910 1 15 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.084 -0.078 18171 4911 1 15 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.108 1.257 18171 4912 1 15 . 1 1 3 3 GLU H H 3 7.722 7.722 8.469 -0.747 18171 4913 1 15 . 1 1 4 4 VAL N N 4 120.223 120.223 119.509 0.714 18171 4914 1 15 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.629 -0.120 18171 4915 1 15 . 1 1 4 4 VAL C C 4 177.687 177.687 178.031 -0.344 18171 4916 1 15 . 1 1 4 4 VAL CA C 4 66.667 66.667 66.142 0.525 18171 4917 1 15 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.252 0.289 18171 4918 1 15 . 1 1 4 4 VAL H H 4 7.815 7.815 7.868 -0.053 18171 4919 1 15 . 1 1 5 5 ILE N N 5 118.475 118.475 117.823 0.652 18171 4920 1 15 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.620 -0.120 18171 4921 1 15 . 1 1 5 5 ILE C C 5 177.638 177.638 177.859 -0.221 18171 4922 1 15 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.044 -0.683 18171 4923 1 15 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.209 -0.073 18171 4924 1 15 . 1 1 5 5 ILE H H 5 8.293 8.293 8.112 0.181 18171 4925 1 15 . 1 1 6 6 SER N N 6 113.327 113.327 114.342 -1.015 18171 4926 1 15 . 1 1 6 6 SER HA H 6 4.034 4.034 4.203 -0.169 18171 4927 1 15 . 1 1 6 6 SER C C 6 176.398 176.398 176.257 0.141 18171 4928 1 15 . 1 1 6 6 SER CA C 6 61.781 61.781 60.747 1.034 18171 4929 1 15 . 1 1 6 6 SER CB C 6 62.770 62.770 62.858 -0.088 18171 4930 1 15 . 1 1 6 6 SER H H 6 7.740 7.740 7.880 -0.140 18171 4931 1 15 . 1 1 7 7 LYS N N 7 119.755 119.755 122.038 -2.283 18171 4932 1 15 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.094 0.049 18171 4933 1 15 . 1 1 7 7 LYS C C 7 179.622 179.622 178.786 0.836 18171 4934 1 15 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.606 -0.600 18171 4935 1 15 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.795 -0.053 18171 4936 1 15 . 1 1 7 7 LYS H H 7 7.523 7.523 7.864 -0.341 18171 4937 1 15 . 1 1 8 8 ILE N N 8 119.544 119.544 120.218 -0.674 18171 4938 1 15 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.676 -0.033 18171 4939 1 15 . 1 1 8 8 ILE C C 8 177.510 177.510 177.368 0.142 18171 4940 1 15 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.631 2.549 18171 4941 1 15 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.337 1.124 18171 4942 1 15 . 1 1 8 8 ILE H H 8 8.132 8.132 7.607 0.525 18171 4943 1 15 . 1 1 9 9 MET N N 9 114.616 114.616 116.656 -2.040 18171 4944 1 15 . 1 1 9 9 MET HA H 9 4.104 4.104 4.052 0.052 18171 4945 1 15 . 1 1 9 9 MET C C 9 177.018 177.018 176.871 0.147 18171 4946 1 15 . 1 1 9 9 MET CA C 9 56.601 56.601 57.585 -0.984 18171 4947 1 15 . 1 1 9 9 MET CB C 9 31.479 31.479 31.689 -0.210 18171 4948 1 15 . 1 1 9 9 MET H H 9 7.835 7.835 7.413 0.422 18171 4949 1 15 . 1 1 10 10 GLU N N 10 116.206 116.206 117.860 -1.654 18171 4950 1 15 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.085 0.067 18171 4951 1 15 . 1 1 10 10 GLU C C 10 176.263 176.263 177.028 -0.765 18171 4952 1 15 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.449 -0.366 18171 4953 1 15 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.746 0.264 18171 4954 1 15 . 1 1 10 10 GLU H H 10 7.318 7.318 7.820 -0.502 18171 4955 1 15 . 1 1 11 11 ASN N N 11 119.007 119.007 117.176 1.831 18171 4956 1 15 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.114 0.027 18171 4957 1 15 . 1 1 11 11 ASN C C 11 173.093 173.093 173.238 -0.145 18171 4958 1 15 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.223 -0.514 18171 4959 1 15 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.855 0.245 18171 4960 1 15 . 1 1 11 11 ASN H H 11 7.707 7.707 7.876 -0.169 18171 4961 1 15 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.081 0.202 18171 4962 1 15 . 1 1 12 12 PRO C C 12 177.932 177.932 177.757 0.175 18171 4963 1 15 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.258 -0.031 18171 4964 1 15 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.850 0.158 18171 4965 1 15 . 1 1 13 13 ASP N N 13 116.410 116.410 116.961 -0.551 18171 4966 1 15 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.487 -0.062 18171 4967 1 15 . 1 1 13 13 ASP C C 13 178.456 178.456 178.325 0.131 18171 4968 1 15 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.164 -0.356 18171 4969 1 15 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.641 -0.702 18171 4970 1 15 . 1 1 13 13 ASP H H 13 8.218 8.218 8.370 -0.152 18171 4971 1 15 . 1 1 14 14 VAL N N 14 120.053 120.053 120.374 -0.321 18171 4972 1 15 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.811 -0.029 18171 4973 1 15 . 1 1 14 14 VAL C C 14 177.045 177.045 177.537 -0.492 18171 4974 1 15 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.757 -1.407 18171 4975 1 15 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.451 0.310 18171 4976 1 15 . 1 1 14 14 VAL H H 14 7.722 7.722 8.150 -0.428 18171 4977 1 15 . 1 1 15 15 ALA N N 15 121.814 121.814 122.917 -1.103 18171 4978 1 15 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.807 0.115 18171 4979 1 15 . 1 1 15 15 ALA C C 15 180.315 180.315 179.539 0.776 18171 4980 1 15 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.249 0.405 18171 4981 1 15 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.220 -0.042 18171 4982 1 15 . 1 1 15 15 ALA H H 15 8.245 8.245 7.585 0.660 18171 4983 1 15 . 1 1 16 16 MET N N 16 114.438 114.438 116.030 -1.592 18171 4984 1 15 . 1 1 16 16 MET HA H 16 4.234 4.234 4.352 -0.118 18171 4985 1 15 . 1 1 16 16 MET C C 16 178.930 178.930 178.993 -0.063 18171 4986 1 15 . 1 1 16 16 MET CA C 16 58.011 58.011 57.030 0.981 18171 4987 1 15 . 1 1 16 16 MET CB C 16 32.027 32.027 32.062 -0.035 18171 4988 1 15 . 1 1 16 16 MET H H 16 7.878 7.878 7.837 0.041 18171 4989 1 15 . 1 1 17 17 ALA N N 17 123.280 123.280 123.604 -0.324 18171 4990 1 15 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.205 -0.027 18171 4991 1 15 . 1 1 17 17 ALA C C 17 179.091 179.091 179.750 -0.659 18171 4992 1 15 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.857 -0.294 18171 4993 1 15 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.060 0.331 18171 4994 1 15 . 1 1 17 17 ALA H H 17 7.647 7.647 7.948 -0.301 18171 4995 1 15 . 1 1 18 18 PHE N N 18 114.808 114.808 116.023 -1.215 18171 4996 1 15 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.289 -0.171 18171 4997 1 15 . 1 1 18 18 PHE C C 18 175.169 175.169 176.622 -1.453 18171 4998 1 15 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.356 -0.922 18171 4999 1 15 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.660 0.383 18171 5000 1 15 . 1 1 18 18 PHE H H 18 8.032 8.032 8.718 -0.686 18171 5001 1 15 . 1 1 19 19 GLN N N 19 114.221 114.221 116.810 -2.589 18171 5002 1 15 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.365 -0.298 18171 5003 1 15 . 1 1 19 19 GLN C C 19 175.843 175.843 175.503 0.340 18171 5004 1 15 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.247 0.900 18171 5005 1 15 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.401 0.219 18171 5006 1 15 . 1 1 19 19 GLN H H 19 7.414 7.414 7.620 -0.206 18171 5007 1 15 . 1 1 20 20 ASN N N 20 119.994 119.994 119.904 0.090 18171 5008 1 15 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.185 -0.302 18171 5009 1 15 . 1 1 20 20 ASN C C 20 174.726 174.726 174.112 0.614 18171 5010 1 15 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.267 0.334 18171 5011 1 15 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.439 -1.182 18171 5012 1 15 . 1 1 20 20 ASN H H 20 7.497 7.497 7.882 -0.385 18171 5013 1 15 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.665 -0.476 18171 5014 1 15 . 1 1 21 21 PRO C C 21 178.747 178.747 178.588 0.159 18171 5015 1 15 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.491 -0.445 18171 5016 1 15 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.211 -0.090 18171 5017 1 15 . 1 1 22 22 ARG N N 22 117.899 117.899 118.330 -0.431 18171 5018 1 15 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.967 0.126 18171 5019 1 15 . 1 1 22 22 ARG C C 22 178.827 178.827 178.243 0.584 18171 5020 1 15 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.204 -0.218 18171 5021 1 15 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.014 1.417 18171 5022 1 15 . 1 1 22 22 ARG H H 22 8.066 8.066 8.405 -0.339 18171 5023 1 15 . 1 1 23 23 VAL N N 23 119.694 119.694 119.448 0.246 18171 5024 1 15 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.719 -0.335 18171 5025 1 15 . 1 1 23 23 VAL C C 23 177.319 177.319 177.915 -0.596 18171 5026 1 15 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.211 -0.463 18171 5027 1 15 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.046 0.475 18171 5028 1 15 . 1 1 23 23 VAL H H 23 7.199 7.199 7.796 -0.597 18171 5029 1 15 . 1 1 24 24 GLN N N 24 117.842 117.842 119.222 -1.380 18171 5030 1 15 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.770 -0.137 18171 5031 1 15 . 1 1 24 24 GLN C C 24 177.902 177.902 178.391 -0.489 18171 5032 1 15 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.284 0.385 18171 5033 1 15 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.312 -0.292 18171 5034 1 15 . 1 1 24 24 GLN H H 24 7.790 7.790 8.261 -0.471 18171 5035 1 15 . 1 1 25 25 ALA N N 25 119.267 119.267 120.896 -1.629 18171 5036 1 15 . 1 1 25 25 ALA HA H 25 4.046 4.046 3.991 0.055 18171 5037 1 15 . 1 1 25 25 ALA C C 25 179.854 179.854 178.770 1.084 18171 5038 1 15 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.715 0.331 18171 5039 1 15 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.224 -0.400 18171 5040 1 15 . 1 1 25 25 ALA H H 25 7.808 7.808 8.393 -0.585 18171 5041 1 15 . 1 1 26 26 ALA N N 26 120.738 120.738 122.184 -1.446 18171 5042 1 15 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.751 0.170 18171 5043 1 15 . 1 1 26 26 ALA C C 26 179.988 179.988 179.766 0.222 18171 5044 1 15 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.484 0.715 18171 5045 1 15 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.079 0.092 18171 5046 1 15 . 1 1 26 26 ALA H H 26 7.500 7.500 7.240 0.260 18171 5047 1 15 . 1 1 27 27 LEU N N 27 118.511 118.511 119.970 -1.459 18171 5048 1 15 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.228 -0.315 18171 5049 1 15 . 1 1 27 27 LEU C C 27 179.923 179.923 178.758 1.165 18171 5050 1 15 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.154 -0.095 18171 5051 1 15 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.978 -1.050 18171 5052 1 15 . 1 1 27 27 LEU H H 27 8.324 8.324 8.408 -0.084 18171 5053 1 15 . 1 1 28 28 MET N N 28 118.681 118.681 118.211 0.470 18171 5054 1 15 . 1 1 28 28 MET HA H 28 4.144 4.144 4.038 0.106 18171 5055 1 15 . 1 1 28 28 MET C C 28 179.635 179.635 178.401 1.234 18171 5056 1 15 . 1 1 28 28 MET CA C 28 58.734 58.734 58.150 0.584 18171 5057 1 15 . 1 1 28 28 MET CB C 28 31.901 31.901 32.304 -0.403 18171 5058 1 15 . 1 1 28 28 MET H H 28 8.127 8.127 8.285 -0.158 18171 5059 1 15 . 1 1 29 29 GLU N N 29 119.813 119.813 118.398 1.415 18171 5060 1 15 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.212 0.014 18171 5061 1 15 . 1 1 29 29 GLU C C 29 180.544 180.544 179.215 1.329 18171 5062 1 15 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.784 0.912 18171 5063 1 15 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.518 0.159 18171 5064 1 15 . 1 1 29 29 GLU H H 29 8.302 8.302 8.174 0.128 18171 5065 1 15 . 1 1 30 30 CYS N N 30 118.465 118.465 119.353 -0.888 18171 5066 1 15 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.228 0.225 18171 5067 1 15 . 1 1 30 30 CYS C C 30 175.357 175.357 175.785 -0.428 18171 5068 1 15 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.589 -0.107 18171 5069 1 15 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.848 -1.058 18171 5070 1 15 . 1 1 30 30 CYS H H 30 8.465 8.465 7.839 0.626 18171 5071 1 15 . 1 1 31 31 SER N N 31 114.366 114.366 113.191 1.175 18171 5072 1 15 . 1 1 31 31 SER HA H 31 4.174 4.174 4.214 -0.040 18171 5073 1 15 . 1 1 31 31 SER C C 31 175.371 175.371 176.210 -0.839 18171 5074 1 15 . 1 1 31 31 SER CA C 31 60.932 60.932 61.127 -0.195 18171 5075 1 15 . 1 1 31 31 SER CB C 31 62.749 62.749 63.214 -0.465 18171 5076 1 15 . 1 1 31 31 SER H H 31 7.859 7.859 7.713 0.146 18171 5077 1 15 . 1 1 32 32 GLU N N 32 119.996 119.996 119.769 0.227 18171 5078 1 15 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.258 -0.054 18171 5079 1 15 . 1 1 32 32 GLU C C 32 176.983 176.983 176.660 0.323 18171 5080 1 15 . 1 1 32 32 GLU CA C 32 57.972 57.972 57.976 -0.004 18171 5081 1 15 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.400 -0.323 18171 5082 1 15 . 1 1 32 32 GLU H H 32 7.254 7.254 7.919 -0.665 18171 5083 1 15 . 1 1 33 33 ASN N N 33 113.026 113.026 112.207 0.819 18171 5084 1 15 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.972 0.001 18171 5085 1 15 . 1 1 33 33 ASN C C 33 173.504 173.504 172.927 0.577 18171 5086 1 15 . 1 1 33 33 ASN CA C 33 50.736 50.736 51.657 -0.921 18171 5087 1 15 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.879 1.606 18171 5088 1 15 . 1 1 33 33 ASN H H 33 7.370 7.370 7.661 -0.291 18171 5089 1 15 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.341 0.233 18171 5090 1 15 . 1 1 34 34 PRO C C 34 178.270 178.270 177.643 0.627 18171 5091 1 15 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.107 -0.280 18171 5092 1 15 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.827 -0.073 18171 5093 1 15 . 1 1 35 35 MET N N 35 115.258 115.258 115.338 -0.080 18171 5094 1 15 . 1 1 35 35 MET HA H 35 4.330 4.330 4.191 0.139 18171 5095 1 15 . 1 1 35 35 MET C C 35 178.569 178.569 177.353 1.216 18171 5096 1 15 . 1 1 35 35 MET CA C 35 57.050 57.050 57.846 -0.796 18171 5097 1 15 . 1 1 35 35 MET CB C 35 31.300 31.300 31.650 -0.350 18171 5098 1 15 . 1 1 35 35 MET H H 35 7.962 7.962 7.934 0.028 18171 5099 1 15 . 1 1 36 36 ASN N N 36 117.357 117.357 119.722 -2.365 18171 5100 1 15 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.431 0.142 18171 5101 1 15 . 1 1 36 36 ASN C C 36 176.470 176.470 177.622 -1.152 18171 5102 1 15 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.864 -0.738 18171 5103 1 15 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.263 1.179 18171 5104 1 15 . 1 1 36 36 ASN H H 36 8.462 8.462 8.331 0.131 18171 5105 1 15 . 1 1 37 37 ILE N N 37 121.622 121.622 121.687 -0.065 18171 5106 1 15 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.891 0.219 18171 5107 1 15 . 1 1 37 37 ILE C C 37 177.331 177.331 176.020 1.311 18171 5108 1 15 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.305 0.283 18171 5109 1 15 . 1 1 37 37 ILE CB C 37 38.015 38.015 38.029 -0.014 18171 5110 1 15 . 1 1 37 37 ILE H H 37 7.820 7.820 7.369 0.451 18171 5111 1 15 . 1 1 38 38 MET N N 38 118.071 118.071 117.175 0.896 18171 5112 1 15 . 1 1 38 38 MET HA H 38 4.174 4.174 4.254 -0.080 18171 5113 1 15 . 1 1 38 38 MET C C 38 178.456 178.456 175.837 2.619 18171 5114 1 15 . 1 1 38 38 MET CA C 38 57.563 57.563 55.729 1.834 18171 5115 1 15 . 1 1 38 38 MET CB C 38 31.533 31.533 30.145 1.388 18171 5116 1 15 . 1 1 38 38 MET H H 38 7.479 7.479 7.673 -0.194 18171 5117 1 15 . 1 1 39 39 LYS N N 39 117.427 117.427 117.368 0.059 18171 5118 1 15 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.223 -0.276 18171 5119 1 15 . 1 1 39 39 LYS C C 39 177.456 177.456 177.640 -0.184 18171 5120 1 15 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.748 1.264 18171 5121 1 15 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.650 -2.877 18171 5122 1 15 . 1 1 39 39 LYS H H 39 7.580 7.580 7.888 -0.308 18171 5123 1 15 . 1 1 40 40 TYR N N 40 116.049 116.049 119.350 -3.301 18171 5124 1 15 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.466 0.064 18171 5125 1 15 . 1 1 40 40 TYR C C 40 175.635 175.635 177.756 -2.121 18171 5126 1 15 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.213 0.185 18171 5127 1 15 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.355 2.135 18171 5128 1 15 . 1 1 40 40 TYR H H 40 7.651 7.651 7.264 0.387 18171 5129 1 15 . 1 1 41 41 GLN N N 41 116.626 116.626 119.134 -2.508 18171 5130 1 15 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.985 0.348 18171 5131 1 15 . 1 1 41 41 GLN C C 41 175.887 175.887 176.772 -0.885 18171 5132 1 15 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.836 -0.250 18171 5133 1 15 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.972 1.075 18171 5134 1 15 . 1 1 41 41 GLN H H 41 7.001 7.001 7.765 -0.764 18171 5135 1 15 . 1 1 42 42 ASN N N 42 114.491 114.491 113.620 0.871 18171 5136 1 15 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.600 0.262 18171 5137 1 15 . 1 1 42 42 ASN C C 42 173.784 173.784 175.667 -1.883 18171 5138 1 15 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.935 -1.403 18171 5139 1 15 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.923 -0.335 18171 5140 1 15 . 1 1 42 42 ASN H H 42 8.281 8.281 7.612 0.669 18171 5141 1 15 . 1 1 43 43 ASP N N 43 122.981 122.981 122.445 0.536 18171 5142 1 15 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.573 0.182 18171 5143 1 15 . 1 1 43 43 ASP C C 43 174.773 174.773 176.415 -1.642 18171 5144 1 15 . 1 1 43 43 ASP CA C 43 52.607 52.607 54.210 -1.603 18171 5145 1 15 . 1 1 43 43 ASP CB C 43 41.369 41.369 41.111 0.258 18171 5146 1 15 . 1 1 43 43 ASP H H 43 7.960 7.960 8.018 -0.058 18171 5147 1 15 . 1 1 44 44 LYS N N 44 125.893 125.893 127.947 -2.054 18171 5148 1 15 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.925 -0.065 18171 5149 1 15 . 1 1 44 44 LYS C C 44 177.796 177.796 178.344 -0.548 18171 5150 1 15 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.495 0.301 18171 5151 1 15 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.499 0.037 18171 5152 1 15 . 1 1 44 44 LYS H H 44 8.361 8.361 8.226 0.135 18171 5153 1 15 . 1 1 45 45 GLU N N 45 116.698 116.698 118.602 -1.904 18171 5154 1 15 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.152 -0.085 18171 5155 1 15 . 1 1 45 45 GLU C C 45 178.724 178.724 178.881 -0.157 18171 5156 1 15 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.159 0.296 18171 5157 1 15 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.356 0.401 18171 5158 1 15 . 1 1 45 45 GLU H H 45 8.127 8.127 7.878 0.249 18171 5159 1 15 . 1 1 46 46 VAL N N 46 117.476 117.476 119.699 -2.223 18171 5160 1 15 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.829 -0.415 18171 5161 1 15 . 1 1 46 46 VAL C C 46 177.879 177.879 178.059 -0.180 18171 5162 1 15 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.139 0.291 18171 5163 1 15 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.308 0.720 18171 5164 1 15 . 1 1 46 46 VAL H H 46 7.452 7.452 7.646 -0.194 18171 5165 1 15 . 1 1 47 47 MET N N 47 117.027 117.027 119.253 -2.226 18171 5166 1 15 . 1 1 47 47 MET HA H 47 4.479 4.479 4.154 0.325 18171 5167 1 15 . 1 1 47 47 MET C C 47 179.307 179.307 177.864 1.443 18171 5168 1 15 . 1 1 47 47 MET CA C 47 56.809 56.809 59.760 -2.951 18171 5169 1 15 . 1 1 47 47 MET CB C 47 30.371 30.371 32.166 -1.796 18171 5170 1 15 . 1 1 47 47 MET H H 47 8.542 8.542 8.581 -0.039 18171 5171 1 15 . 1 1 48 48 ASP N N 48 119.811 119.811 120.664 -0.853 18171 5172 1 15 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.430 0.062 18171 5173 1 15 . 1 1 48 48 ASP C C 48 179.136 179.136 179.121 0.015 18171 5174 1 15 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.820 -0.249 18171 5175 1 15 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.832 -0.379 18171 5176 1 15 . 1 1 48 48 ASP H H 48 8.580 8.580 7.911 0.669 18171 5177 1 15 . 1 1 49 49 VAL N N 49 118.816 118.816 120.655 -1.839 18171 5178 1 15 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.703 -0.065 18171 5179 1 15 . 1 1 49 49 VAL C C 49 177.777 177.777 177.816 -0.039 18171 5180 1 15 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.614 -0.157 18171 5181 1 15 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.207 -1.141 18171 5182 1 15 . 1 1 49 49 VAL H H 49 7.319 7.319 7.485 -0.166 18171 5183 1 15 . 1 1 50 50 PHE N N 50 120.305 120.305 119.265 1.040 18171 5184 1 15 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.207 -0.071 18171 5185 1 15 . 1 1 50 50 PHE C C 50 178.505 178.505 177.907 0.598 18171 5186 1 15 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.620 -1.080 18171 5187 1 15 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.745 -0.436 18171 5188 1 15 . 1 1 50 50 PHE H H 50 8.529 8.529 9.142 -0.613 18171 5189 1 15 . 1 1 51 51 ASN N N 51 117.888 117.888 117.078 0.810 18171 5190 1 15 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.590 -0.175 18171 5191 1 15 . 1 1 51 51 ASN C C 51 177.863 177.863 177.039 0.824 18171 5192 1 15 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.862 0.305 18171 5193 1 15 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.499 -0.190 18171 5194 1 15 . 1 1 51 51 ASN H H 51 8.886 8.886 8.631 0.255 18171 5195 1 15 . 1 1 52 52 LYS N N 52 120.120 120.120 122.162 -2.042 18171 5196 1 15 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.229 -0.119 18171 5197 1 15 . 1 1 52 52 LYS C C 52 179.002 179.002 178.490 0.512 18171 5198 1 15 . 1 1 52 52 LYS CA C 52 58.974 58.974 58.987 -0.013 18171 5199 1 15 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.573 -0.518 18171 5200 1 15 . 1 1 52 52 LYS H H 52 7.760 7.760 7.238 0.522 18171 5201 1 15 . 1 1 53 53 ILE N N 53 117.988 117.988 119.921 -1.933 18171 5202 1 15 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.507 0.250 18171 5203 1 15 . 1 1 53 53 ILE C C 53 177.686 177.686 177.517 0.169 18171 5204 1 15 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.931 0.110 18171 5205 1 15 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.801 -0.134 18171 5206 1 15 . 1 1 53 53 ILE H H 53 8.400 8.400 8.543 -0.143 18171 5207 1 15 . 1 1 54 54 SER N N 54 114.267 114.267 113.557 0.710 18171 5208 1 15 . 1 1 54 54 SER HA H 54 4.050 4.050 4.396 -0.346 18171 5209 1 15 . 1 1 54 54 SER C C 54 175.690 175.690 176.362 -0.672 18171 5210 1 15 . 1 1 54 54 SER CA C 54 61.417 61.417 60.245 1.172 18171 5211 1 15 . 1 1 54 54 SER CB C 54 62.922 62.922 62.883 0.039 18171 5212 1 15 . 1 1 54 54 SER H H 54 8.042 8.042 7.638 0.404 18171 5213 1 15 . 1 1 55 55 GLN N N 55 118.045 118.045 120.446 -2.401 18171 5214 1 15 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.073 0.067 18171 5215 1 15 . 1 1 55 55 GLN C C 55 177.193 177.193 177.637 -0.444 18171 5216 1 15 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.350 -1.268 18171 5217 1 15 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.016 -0.296 18171 5218 1 15 . 1 1 55 55 GLN H H 55 7.415 7.415 7.406 0.009 18171 5219 1 15 . 1 1 56 56 LEU N N 56 118.492 118.492 117.585 0.907 18171 5220 1 15 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.140 -0.107 18171 5221 1 15 . 1 1 56 56 LEU C C 56 176.578 176.578 176.649 -0.071 18171 5222 1 15 . 1 1 56 56 LEU CA C 56 55.905 55.905 55.966 -0.061 18171 5223 1 15 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.602 -0.053 18171 5224 1 15 . 1 1 56 56 LEU H H 56 7.732 7.732 7.777 -0.045 18171 5225 1 15 . 1 1 57 57 PHE N N 57 116.774 116.774 115.912 0.862 18171 5226 1 15 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.906 -0.014 18171 5227 1 15 . 1 1 57 57 PHE C C 57 173.125 173.125 173.626 -0.501 18171 5228 1 15 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.592 1.619 18171 5229 1 15 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.460 0.563 18171 5230 1 15 . 1 1 57 57 PHE H H 57 7.629 7.629 7.150 0.479 18171 5231 1 15 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.645 -0.165 18171 5232 1 15 . 1 1 58 58 PRO C C 58 178.090 178.090 176.869 1.221 18171 5233 1 15 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.372 0.600 18171 5234 1 15 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.042 -0.115 18171 5235 1 15 . 1 1 59 59 GLY N N 59 108.335 108.335 107.618 0.717 18171 5236 1 15 . 1 1 59 59 GLY C C 59 174.930 174.930 173.660 1.270 18171 5237 1 15 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.100 0.284 18171 5238 1 15 . 1 1 59 59 GLY H H 59 8.411 8.411 8.078 0.333 18171 5239 1 15 . 1 1 60 60 MET N N 60 119.206 119.206 119.158 0.048 18171 5240 1 15 . 1 1 60 60 MET HA H 60 4.467 4.467 4.084 0.383 18171 5241 1 15 . 1 1 60 60 MET C C 60 176.320 176.320 175.574 0.746 18171 5242 1 15 . 1 1 60 60 MET CA C 60 56.395 56.395 55.333 1.062 18171 5243 1 15 . 1 1 60 60 MET CB C 60 32.964 32.964 31.591 1.373 18171 5244 1 15 . 1 1 60 60 MET H H 60 8.053 8.053 7.682 0.371 18171 5245 1 15 . 1 1 61 61 THR N N 61 111.041 111.041 115.219 -4.178 18171 5246 1 15 . 1 1 61 61 THR HA H 61 4.402 4.402 4.247 0.155 18171 5247 1 15 . 1 1 61 61 THR C C 61 173.976 173.976 175.090 -1.114 18171 5248 1 15 . 1 1 61 61 THR CA C 61 61.233 61.233 62.470 -1.237 18171 5249 1 15 . 1 1 61 61 THR CB C 61 70.120 70.120 68.289 1.831 18171 5250 1 15 . 1 1 61 61 THR H H 61 7.880 7.880 8.302 -0.422 18171 5251 1 16 . 1 1 2 2 GLU N N 2 115.081 115.081 121.137 -6.056 18171 5252 1 16 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.089 -0.229 18171 5253 1 16 . 1 1 2 2 GLU C C 2 179.259 179.259 178.574 0.685 18171 5254 1 16 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.417 0.943 18171 5255 1 16 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.504 -0.778 18171 5256 1 16 . 1 1 2 2 GLU H H 2 8.756 8.756 8.776 -0.020 18171 5257 1 16 . 1 1 3 3 GLU N N 3 120.051 120.051 119.580 0.471 18171 5258 1 16 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.125 -0.109 18171 5259 1 16 . 1 1 3 3 GLU C C 3 178.863 178.863 178.619 0.244 18171 5260 1 16 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.010 -0.004 18171 5261 1 16 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.217 1.148 18171 5262 1 16 . 1 1 3 3 GLU H H 3 7.722 7.722 8.545 -0.823 18171 5263 1 16 . 1 1 4 4 VAL N N 4 120.223 120.223 120.819 -0.596 18171 5264 1 16 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.755 -0.246 18171 5265 1 16 . 1 1 4 4 VAL C C 4 177.687 177.687 178.154 -0.467 18171 5266 1 16 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.693 0.974 18171 5267 1 16 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.335 0.205 18171 5268 1 16 . 1 1 4 4 VAL H H 4 7.815 7.815 7.860 -0.045 18171 5269 1 16 . 1 1 5 5 ILE N N 5 118.475 118.475 118.983 -0.508 18171 5270 1 16 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.691 -0.191 18171 5271 1 16 . 1 1 5 5 ILE C C 5 177.638 177.638 178.341 -0.703 18171 5272 1 16 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.611 -0.250 18171 5273 1 16 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.411 0.725 18171 5274 1 16 . 1 1 5 5 ILE H H 5 8.293 8.293 8.498 -0.205 18171 5275 1 16 . 1 1 6 6 SER N N 6 113.327 113.327 114.655 -1.328 18171 5276 1 16 . 1 1 6 6 SER HA H 6 4.034 4.034 4.226 -0.192 18171 5277 1 16 . 1 1 6 6 SER C C 6 176.398 176.398 176.396 0.002 18171 5278 1 16 . 1 1 6 6 SER CA C 6 61.781 61.781 61.196 0.585 18171 5279 1 16 . 1 1 6 6 SER CB C 6 62.770 62.770 62.889 -0.119 18171 5280 1 16 . 1 1 6 6 SER H H 6 7.740 7.740 7.825 -0.085 18171 5281 1 16 . 1 1 7 7 LYS N N 7 119.755 119.755 121.980 -2.225 18171 5282 1 16 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.109 0.034 18171 5283 1 16 . 1 1 7 7 LYS C C 7 179.622 179.622 178.945 0.677 18171 5284 1 16 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.265 -0.259 18171 5285 1 16 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.857 -0.115 18171 5286 1 16 . 1 1 7 7 LYS H H 7 7.523 7.523 7.815 -0.292 18171 5287 1 16 . 1 1 8 8 ILE N N 8 119.544 119.544 120.199 -0.655 18171 5288 1 16 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.650 -0.007 18171 5289 1 16 . 1 1 8 8 ILE C C 8 177.510 177.510 177.361 0.149 18171 5290 1 16 . 1 1 8 8 ILE CA C 8 65.180 65.180 62.853 2.327 18171 5291 1 16 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.405 1.056 18171 5292 1 16 . 1 1 8 8 ILE H H 8 8.132 8.132 7.567 0.565 18171 5293 1 16 . 1 1 9 9 MET N N 9 114.616 114.616 118.152 -3.536 18171 5294 1 16 . 1 1 9 9 MET HA H 9 4.104 4.104 4.091 0.013 18171 5295 1 16 . 1 1 9 9 MET C C 9 177.018 177.018 177.119 -0.101 18171 5296 1 16 . 1 1 9 9 MET CA C 9 56.601 56.601 57.772 -1.171 18171 5297 1 16 . 1 1 9 9 MET CB C 9 31.479 31.479 31.712 -0.233 18171 5298 1 16 . 1 1 9 9 MET H H 9 7.835 7.835 7.502 0.333 18171 5299 1 16 . 1 1 10 10 GLU N N 10 116.206 116.206 118.602 -2.396 18171 5300 1 16 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.121 0.031 18171 5301 1 16 . 1 1 10 10 GLU C C 10 176.263 176.263 176.900 -0.637 18171 5302 1 16 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.325 -0.242 18171 5303 1 16 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.959 0.052 18171 5304 1 16 . 1 1 10 10 GLU H H 10 7.318 7.318 7.770 -0.452 18171 5305 1 16 . 1 1 11 11 ASN N N 11 119.007 119.007 118.010 0.997 18171 5306 1 16 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.107 0.034 18171 5307 1 16 . 1 1 11 11 ASN C C 11 173.093 173.093 173.105 -0.012 18171 5308 1 16 . 1 1 11 11 ASN CA C 11 50.709 50.709 51.329 -0.620 18171 5309 1 16 . 1 1 11 11 ASN CB C 11 40.100 40.100 38.760 1.340 18171 5310 1 16 . 1 1 11 11 ASN H H 11 7.707 7.707 7.973 -0.266 18171 5311 1 16 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.113 0.170 18171 5312 1 16 . 1 1 12 12 PRO C C 12 177.932 177.932 177.800 0.132 18171 5313 1 16 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.033 0.195 18171 5314 1 16 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.813 0.195 18171 5315 1 16 . 1 1 13 13 ASP N N 13 116.410 116.410 116.417 -0.007 18171 5316 1 16 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.439 -0.014 18171 5317 1 16 . 1 1 13 13 ASP C C 13 178.456 178.456 178.396 0.060 18171 5318 1 16 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.003 -0.194 18171 5319 1 16 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.606 -0.667 18171 5320 1 16 . 1 1 13 13 ASP H H 13 8.218 8.218 8.353 -0.135 18171 5321 1 16 . 1 1 14 14 VAL N N 14 120.053 120.053 120.549 -0.496 18171 5322 1 16 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.804 -0.022 18171 5323 1 16 . 1 1 14 14 VAL C C 14 177.045 177.045 177.639 -0.594 18171 5324 1 16 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.834 -1.484 18171 5325 1 16 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.364 0.397 18171 5326 1 16 . 1 1 14 14 VAL H H 14 7.722 7.722 8.169 -0.447 18171 5327 1 16 . 1 1 15 15 ALA N N 15 121.814 121.814 122.587 -0.773 18171 5328 1 16 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.799 0.123 18171 5329 1 16 . 1 1 15 15 ALA C C 15 180.315 180.315 179.338 0.977 18171 5330 1 16 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.072 0.582 18171 5331 1 16 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.174 0.003 18171 5332 1 16 . 1 1 15 15 ALA H H 15 8.245 8.245 7.438 0.807 18171 5333 1 16 . 1 1 16 16 MET N N 16 114.438 114.438 116.642 -2.204 18171 5334 1 16 . 1 1 16 16 MET HA H 16 4.234 4.234 4.275 -0.041 18171 5335 1 16 . 1 1 16 16 MET C C 16 178.930 178.930 178.887 0.043 18171 5336 1 16 . 1 1 16 16 MET CA C 16 58.011 58.011 58.498 -0.487 18171 5337 1 16 . 1 1 16 16 MET CB C 16 32.027 32.027 32.971 -0.944 18171 5338 1 16 . 1 1 16 16 MET H H 16 7.878 7.878 7.752 0.126 18171 5339 1 16 . 1 1 17 17 ALA N N 17 123.280 123.280 123.621 -0.341 18171 5340 1 16 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.204 -0.026 18171 5341 1 16 . 1 1 17 17 ALA C C 17 179.091 179.091 179.621 -0.530 18171 5342 1 16 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.993 -0.430 18171 5343 1 16 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.095 0.296 18171 5344 1 16 . 1 1 17 17 ALA H H 17 7.647 7.647 8.111 -0.464 18171 5345 1 16 . 1 1 18 18 PHE N N 18 114.808 114.808 116.142 -1.334 18171 5346 1 16 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.255 -0.137 18171 5347 1 16 . 1 1 18 18 PHE C C 18 175.169 175.169 176.616 -1.447 18171 5348 1 16 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.326 -0.892 18171 5349 1 16 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.683 0.360 18171 5350 1 16 . 1 1 18 18 PHE H H 18 8.032 8.032 8.592 -0.560 18171 5351 1 16 . 1 1 19 19 GLN N N 19 114.221 114.221 116.841 -2.620 18171 5352 1 16 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.338 -0.271 18171 5353 1 16 . 1 1 19 19 GLN C C 19 175.843 175.843 175.576 0.267 18171 5354 1 16 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.631 0.516 18171 5355 1 16 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.741 -0.121 18171 5356 1 16 . 1 1 19 19 GLN H H 19 7.414 7.414 7.588 -0.174 18171 5357 1 16 . 1 1 20 20 ASN N N 20 119.994 119.994 119.380 0.614 18171 5358 1 16 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.192 -0.309 18171 5359 1 16 . 1 1 20 20 ASN C C 20 174.726 174.726 173.949 0.777 18171 5360 1 16 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.415 0.186 18171 5361 1 16 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.566 -1.309 18171 5362 1 16 . 1 1 20 20 ASN H H 20 7.497 7.497 7.971 -0.474 18171 5363 1 16 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.475 -0.286 18171 5364 1 16 . 1 1 21 21 PRO C C 21 178.747 178.747 178.148 0.599 18171 5365 1 16 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.654 -0.608 18171 5366 1 16 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.197 -0.076 18171 5367 1 16 . 1 1 22 22 ARG N N 22 117.899 117.899 118.561 -0.662 18171 5368 1 16 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.073 0.020 18171 5369 1 16 . 1 1 22 22 ARG C C 22 178.827 178.827 178.507 0.320 18171 5370 1 16 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.474 0.512 18171 5371 1 16 . 1 1 22 22 ARG CB C 22 30.431 30.431 28.890 1.540 18171 5372 1 16 . 1 1 22 22 ARG H H 22 8.066 8.066 8.728 -0.662 18171 5373 1 16 . 1 1 23 23 VAL N N 23 119.694 119.694 120.194 -0.500 18171 5374 1 16 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.716 -0.332 18171 5375 1 16 . 1 1 23 23 VAL C C 23 177.319 177.319 177.892 -0.573 18171 5376 1 16 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.189 -0.441 18171 5377 1 16 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.263 0.258 18171 5378 1 16 . 1 1 23 23 VAL H H 23 7.199 7.199 7.708 -0.509 18171 5379 1 16 . 1 1 24 24 GLN N N 24 117.842 117.842 119.176 -1.334 18171 5380 1 16 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.733 -0.100 18171 5381 1 16 . 1 1 24 24 GLN C C 24 177.902 177.902 178.465 -0.563 18171 5382 1 16 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.239 0.430 18171 5383 1 16 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.372 -0.351 18171 5384 1 16 . 1 1 24 24 GLN H H 24 7.790 7.790 8.189 -0.399 18171 5385 1 16 . 1 1 25 25 ALA N N 25 119.267 119.267 120.933 -1.666 18171 5386 1 16 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.096 -0.050 18171 5387 1 16 . 1 1 25 25 ALA C C 25 179.854 179.854 178.918 0.936 18171 5388 1 16 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.497 0.549 18171 5389 1 16 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.134 -0.310 18171 5390 1 16 . 1 1 25 25 ALA H H 25 7.808 7.808 8.231 -0.423 18171 5391 1 16 . 1 1 26 26 ALA N N 26 120.738 120.738 122.602 -1.864 18171 5392 1 16 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.597 0.324 18171 5393 1 16 . 1 1 26 26 ALA C C 26 179.988 179.988 179.664 0.324 18171 5394 1 16 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.684 0.515 18171 5395 1 16 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.988 0.182 18171 5396 1 16 . 1 1 26 26 ALA H H 26 7.500 7.500 7.491 0.009 18171 5397 1 16 . 1 1 27 27 LEU N N 27 118.511 118.511 118.993 -0.482 18171 5398 1 16 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.022 -0.109 18171 5399 1 16 . 1 1 27 27 LEU C C 27 179.923 179.923 178.987 0.936 18171 5400 1 16 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.908 0.151 18171 5401 1 16 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.721 -0.793 18171 5402 1 16 . 1 1 27 27 LEU H H 27 8.324 8.324 8.492 -0.168 18171 5403 1 16 . 1 1 28 28 MET N N 28 118.681 118.681 118.882 -0.201 18171 5404 1 16 . 1 1 28 28 MET HA H 28 4.144 4.144 4.029 0.115 18171 5405 1 16 . 1 1 28 28 MET C C 28 179.635 179.635 177.963 1.672 18171 5406 1 16 . 1 1 28 28 MET CA C 28 58.734 58.734 58.806 -0.072 18171 5407 1 16 . 1 1 28 28 MET CB C 28 31.901 31.901 32.796 -0.895 18171 5408 1 16 . 1 1 28 28 MET H H 28 8.127 8.127 8.166 -0.040 18171 5409 1 16 . 1 1 29 29 GLU N N 29 119.813 119.813 118.247 1.566 18171 5410 1 16 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.176 0.050 18171 5411 1 16 . 1 1 29 29 GLU C C 29 180.544 180.544 179.104 1.440 18171 5412 1 16 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.625 1.071 18171 5413 1 16 . 1 1 29 29 GLU CB C 29 29.677 29.677 30.040 -0.363 18171 5414 1 16 . 1 1 29 29 GLU H H 29 8.302 8.302 8.133 0.169 18171 5415 1 16 . 1 1 30 30 CYS N N 30 118.465 118.465 119.373 -0.908 18171 5416 1 16 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.171 0.282 18171 5417 1 16 . 1 1 30 30 CYS C C 30 175.357 175.357 175.764 -0.407 18171 5418 1 16 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.654 -0.173 18171 5419 1 16 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.904 -1.114 18171 5420 1 16 . 1 1 30 30 CYS H H 30 8.465 8.465 8.428 0.037 18171 5421 1 16 . 1 1 31 31 SER N N 31 114.366 114.366 113.905 0.461 18171 5422 1 16 . 1 1 31 31 SER HA H 31 4.174 4.174 4.210 -0.036 18171 5423 1 16 . 1 1 31 31 SER C C 31 175.371 175.371 175.529 -0.158 18171 5424 1 16 . 1 1 31 31 SER CA C 31 60.932 60.932 61.224 -0.292 18171 5425 1 16 . 1 1 31 31 SER CB C 31 62.749 62.749 62.811 -0.062 18171 5426 1 16 . 1 1 31 31 SER H H 31 7.859 7.859 7.806 0.053 18171 5427 1 16 . 1 1 32 32 GLU N N 32 119.996 119.996 119.979 0.017 18171 5428 1 16 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.224 -0.020 18171 5429 1 16 . 1 1 32 32 GLU C C 32 176.983 176.983 176.787 0.196 18171 5430 1 16 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.246 -0.274 18171 5431 1 16 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.534 -0.457 18171 5432 1 16 . 1 1 32 32 GLU H H 32 7.254 7.254 7.907 -0.653 18171 5433 1 16 . 1 1 33 33 ASN N N 33 113.026 113.026 112.718 0.308 18171 5434 1 16 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.908 0.065 18171 5435 1 16 . 1 1 33 33 ASN C C 33 173.504 173.504 173.255 0.249 18171 5436 1 16 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.656 -1.920 18171 5437 1 16 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.714 0.771 18171 5438 1 16 . 1 1 33 33 ASN H H 33 7.370 7.370 7.566 -0.196 18171 5439 1 16 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.196 0.378 18171 5440 1 16 . 1 1 34 34 PRO C C 34 178.270 178.270 177.610 0.660 18171 5441 1 16 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.930 -0.103 18171 5442 1 16 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.948 -0.194 18171 5443 1 16 . 1 1 35 35 MET N N 35 115.258 115.258 112.659 2.599 18171 5444 1 16 . 1 1 35 35 MET HA H 35 4.330 4.330 4.260 0.070 18171 5445 1 16 . 1 1 35 35 MET C C 35 178.569 178.569 176.397 2.172 18171 5446 1 16 . 1 1 35 35 MET CA C 35 57.050 57.050 57.304 -0.254 18171 5447 1 16 . 1 1 35 35 MET CB C 35 31.300 31.300 31.347 -0.047 18171 5448 1 16 . 1 1 35 35 MET H H 35 7.962 7.962 7.689 0.273 18171 5449 1 16 . 1 1 36 36 ASN N N 36 117.357 117.357 119.278 -1.921 18171 5450 1 16 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.722 -0.149 18171 5451 1 16 . 1 1 36 36 ASN C C 36 176.470 176.470 177.684 -1.214 18171 5452 1 16 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.948 -0.822 18171 5453 1 16 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.757 -0.315 18171 5454 1 16 . 1 1 36 36 ASN H H 36 8.462 8.462 8.002 0.460 18171 5455 1 16 . 1 1 37 37 ILE N N 37 121.622 121.622 122.750 -1.128 18171 5456 1 16 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.807 0.303 18171 5457 1 16 . 1 1 37 37 ILE C C 37 177.331 177.331 177.239 0.092 18171 5458 1 16 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.218 -0.630 18171 5459 1 16 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.873 0.142 18171 5460 1 16 . 1 1 37 37 ILE H H 37 7.820 7.820 7.542 0.278 18171 5461 1 16 . 1 1 38 38 MET N N 38 118.071 118.071 116.413 1.658 18171 5462 1 16 . 1 1 38 38 MET HA H 38 4.174 4.174 4.132 0.042 18171 5463 1 16 . 1 1 38 38 MET C C 38 178.456 178.456 177.090 1.366 18171 5464 1 16 . 1 1 38 38 MET CA C 38 57.563 57.563 56.806 0.757 18171 5465 1 16 . 1 1 38 38 MET CB C 38 31.533 31.533 31.408 0.125 18171 5466 1 16 . 1 1 38 38 MET H H 38 7.479 7.479 7.561 -0.082 18171 5467 1 16 . 1 1 39 39 LYS N N 39 117.427 117.427 117.785 -0.358 18171 5468 1 16 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.265 -0.318 18171 5469 1 16 . 1 1 39 39 LYS C C 39 177.456 177.456 178.293 -0.837 18171 5470 1 16 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.067 0.945 18171 5471 1 16 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.016 -2.243 18171 5472 1 16 . 1 1 39 39 LYS H H 39 7.580 7.580 7.867 -0.287 18171 5473 1 16 . 1 1 40 40 TYR N N 40 116.049 116.049 119.078 -3.029 18171 5474 1 16 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.516 0.014 18171 5475 1 16 . 1 1 40 40 TYR C C 40 175.635 175.635 178.090 -2.455 18171 5476 1 16 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.136 0.262 18171 5477 1 16 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.707 2.783 18171 5478 1 16 . 1 1 40 40 TYR H H 40 7.651 7.651 7.494 0.157 18171 5479 1 16 . 1 1 41 41 GLN N N 41 116.626 116.626 118.916 -2.290 18171 5480 1 16 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.046 0.287 18171 5481 1 16 . 1 1 41 41 GLN C C 41 175.887 175.887 176.312 -0.425 18171 5482 1 16 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.324 0.262 18171 5483 1 16 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.360 0.687 18171 5484 1 16 . 1 1 41 41 GLN H H 41 7.001 7.001 7.700 -0.699 18171 5485 1 16 . 1 1 42 42 ASN N N 42 114.491 114.491 112.976 1.515 18171 5486 1 16 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.682 0.180 18171 5487 1 16 . 1 1 42 42 ASN C C 42 173.784 173.784 175.182 -1.398 18171 5488 1 16 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.292 -0.760 18171 5489 1 16 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.315 -0.726 18171 5490 1 16 . 1 1 42 42 ASN H H 42 8.281 8.281 7.476 0.805 18171 5491 1 16 . 1 1 43 43 ASP N N 43 122.981 122.981 121.921 1.060 18171 5492 1 16 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.675 0.080 18171 5493 1 16 . 1 1 43 43 ASP C C 43 174.773 174.773 176.595 -1.822 18171 5494 1 16 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.594 -0.987 18171 5495 1 16 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.770 0.599 18171 5496 1 16 . 1 1 43 43 ASP H H 43 7.960 7.960 7.913 0.047 18171 5497 1 16 . 1 1 44 44 LYS N N 44 125.893 125.893 126.753 -0.860 18171 5498 1 16 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.926 -0.066 18171 5499 1 16 . 1 1 44 44 LYS C C 44 177.796 177.796 178.748 -0.952 18171 5500 1 16 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.822 -0.026 18171 5501 1 16 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.396 0.140 18171 5502 1 16 . 1 1 44 44 LYS H H 44 8.361 8.361 8.110 0.251 18171 5503 1 16 . 1 1 45 45 GLU N N 45 116.698 116.698 118.797 -2.099 18171 5504 1 16 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.125 -0.058 18171 5505 1 16 . 1 1 45 45 GLU C C 45 178.724 178.724 178.739 -0.015 18171 5506 1 16 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.312 0.143 18171 5507 1 16 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.430 0.327 18171 5508 1 16 . 1 1 45 45 GLU H H 45 8.127 8.127 8.064 0.063 18171 5509 1 16 . 1 1 46 46 VAL N N 46 117.476 117.476 119.544 -2.068 18171 5510 1 16 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.705 -0.291 18171 5511 1 16 . 1 1 46 46 VAL C C 46 177.879 177.879 178.041 -0.162 18171 5512 1 16 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.826 0.604 18171 5513 1 16 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.755 0.273 18171 5514 1 16 . 1 1 46 46 VAL H H 46 7.452 7.452 7.546 -0.094 18171 5515 1 16 . 1 1 47 47 MET N N 47 117.027 117.027 120.345 -3.318 18171 5516 1 16 . 1 1 47 47 MET HA H 47 4.479 4.479 4.003 0.476 18171 5517 1 16 . 1 1 47 47 MET C C 47 179.307 179.307 178.256 1.051 18171 5518 1 16 . 1 1 47 47 MET CA C 47 56.809 56.809 60.437 -3.628 18171 5519 1 16 . 1 1 47 47 MET CB C 47 30.371 30.371 32.269 -1.898 18171 5520 1 16 . 1 1 47 47 MET H H 47 8.542 8.542 8.628 -0.086 18171 5521 1 16 . 1 1 48 48 ASP N N 48 119.811 119.811 119.777 0.034 18171 5522 1 16 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.440 0.052 18171 5523 1 16 . 1 1 48 48 ASP C C 48 179.136 179.136 179.062 0.074 18171 5524 1 16 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.759 -0.188 18171 5525 1 16 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.647 -0.194 18171 5526 1 16 . 1 1 48 48 ASP H H 48 8.580 8.580 8.267 0.313 18171 5527 1 16 . 1 1 49 49 VAL N N 49 118.816 118.816 120.411 -1.595 18171 5528 1 16 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.819 -0.181 18171 5529 1 16 . 1 1 49 49 VAL C C 49 177.777 177.777 177.702 0.075 18171 5530 1 16 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.291 0.166 18171 5531 1 16 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.918 -0.852 18171 5532 1 16 . 1 1 49 49 VAL H H 49 7.319 7.319 7.568 -0.249 18171 5533 1 16 . 1 1 50 50 PHE N N 50 120.305 120.305 119.287 1.018 18171 5534 1 16 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.210 -0.074 18171 5535 1 16 . 1 1 50 50 PHE C C 50 178.505 178.505 178.025 0.480 18171 5536 1 16 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.601 -1.061 18171 5537 1 16 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.803 -0.494 18171 5538 1 16 . 1 1 50 50 PHE H H 50 8.529 8.529 9.162 -0.633 18171 5539 1 16 . 1 1 51 51 ASN N N 51 117.888 117.888 117.551 0.337 18171 5540 1 16 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.576 -0.161 18171 5541 1 16 . 1 1 51 51 ASN C C 51 177.863 177.863 177.060 0.803 18171 5542 1 16 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.051 0.117 18171 5543 1 16 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.548 -0.239 18171 5544 1 16 . 1 1 51 51 ASN H H 51 8.886 8.886 8.545 0.341 18171 5545 1 16 . 1 1 52 52 LYS N N 52 120.120 120.120 120.605 -0.485 18171 5546 1 16 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.050 0.060 18171 5547 1 16 . 1 1 52 52 LYS C C 52 179.002 179.002 178.375 0.627 18171 5548 1 16 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.050 -0.076 18171 5549 1 16 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.314 -0.259 18171 5550 1 16 . 1 1 52 52 LYS H H 52 7.760 7.760 7.152 0.608 18171 5551 1 16 . 1 1 53 53 ILE N N 53 117.988 117.988 119.810 -1.822 18171 5552 1 16 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.535 0.222 18171 5553 1 16 . 1 1 53 53 ILE C C 53 177.686 177.686 177.626 0.060 18171 5554 1 16 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.989 0.052 18171 5555 1 16 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.853 -0.186 18171 5556 1 16 . 1 1 53 53 ILE H H 53 8.400 8.400 8.556 -0.156 18171 5557 1 16 . 1 1 54 54 SER N N 54 114.267 114.267 113.355 0.912 18171 5558 1 16 . 1 1 54 54 SER HA H 54 4.050 4.050 4.241 -0.191 18171 5559 1 16 . 1 1 54 54 SER C C 54 175.690 175.690 175.895 -0.205 18171 5560 1 16 . 1 1 54 54 SER CA C 54 61.417 61.417 60.512 0.905 18171 5561 1 16 . 1 1 54 54 SER CB C 54 62.922 62.922 63.346 -0.424 18171 5562 1 16 . 1 1 54 54 SER H H 54 8.042 8.042 7.594 0.448 18171 5563 1 16 . 1 1 55 55 GLN N N 55 118.045 118.045 119.068 -1.023 18171 5564 1 16 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.122 0.018 18171 5565 1 16 . 1 1 55 55 GLN C C 55 177.193 177.193 177.803 -0.610 18171 5566 1 16 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.950 -0.868 18171 5567 1 16 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.935 -0.215 18171 5568 1 16 . 1 1 55 55 GLN H H 55 7.415 7.415 7.528 -0.113 18171 5569 1 16 . 1 1 56 56 LEU N N 56 118.492 118.492 117.437 1.055 18171 5570 1 16 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.086 -0.053 18171 5571 1 16 . 1 1 56 56 LEU C C 56 176.578 176.578 176.383 0.195 18171 5572 1 16 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.119 -0.214 18171 5573 1 16 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.640 -0.091 18171 5574 1 16 . 1 1 56 56 LEU H H 56 7.732 7.732 7.824 -0.092 18171 5575 1 16 . 1 1 57 57 PHE N N 57 116.774 116.774 114.342 2.432 18171 5576 1 16 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.901 -0.009 18171 5577 1 16 . 1 1 57 57 PHE C C 57 173.125 173.125 174.034 -0.909 18171 5578 1 16 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.677 1.534 18171 5579 1 16 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.825 1.198 18171 5580 1 16 . 1 1 57 57 PHE H H 57 7.629 7.629 7.297 0.332 18171 5581 1 16 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.489 -0.009 18171 5582 1 16 . 1 1 58 58 PRO C C 58 178.090 178.090 177.078 1.012 18171 5583 1 16 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.718 0.255 18171 5584 1 16 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.940 -0.013 18171 5585 1 16 . 1 1 59 59 GLY N N 59 108.335 108.335 106.265 2.070 18171 5586 1 16 . 1 1 59 59 GLY C C 59 174.930 174.930 173.819 1.111 18171 5587 1 16 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.114 0.270 18171 5588 1 16 . 1 1 59 59 GLY H H 59 8.411 8.411 7.970 0.441 18171 5589 1 16 . 1 1 60 60 MET N N 60 119.206 119.206 118.883 0.323 18171 5590 1 16 . 1 1 60 60 MET HA H 60 4.467 4.467 4.095 0.372 18171 5591 1 16 . 1 1 60 60 MET C C 60 176.320 176.320 175.644 0.676 18171 5592 1 16 . 1 1 60 60 MET CA C 60 56.395 56.395 55.228 1.167 18171 5593 1 16 . 1 1 60 60 MET CB C 60 32.964 32.964 29.827 3.137 18171 5594 1 16 . 1 1 60 60 MET H H 60 8.053 8.053 7.797 0.256 18171 5595 1 16 . 1 1 61 61 THR N N 61 111.041 111.041 116.782 -5.741 18171 5596 1 16 . 1 1 61 61 THR HA H 61 4.402 4.402 4.267 0.135 18171 5597 1 16 . 1 1 61 61 THR C C 61 173.976 173.976 175.758 -1.782 18171 5598 1 16 . 1 1 61 61 THR CA C 61 61.233 61.233 62.297 -1.064 18171 5599 1 16 . 1 1 61 61 THR CB C 61 70.120 70.120 70.084 0.036 18171 5600 1 16 . 1 1 61 61 THR H H 61 7.880 7.880 8.144 -0.264 18171 5601 1 17 . 1 1 2 2 GLU N N 2 115.081 115.081 121.176 -6.095 18171 5602 1 17 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.977 -0.117 18171 5603 1 17 . 1 1 2 2 GLU C C 2 179.259 179.259 177.969 1.290 18171 5604 1 17 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.135 1.225 18171 5605 1 17 . 1 1 2 2 GLU CB C 2 28.726 28.726 28.858 -0.132 18171 5606 1 17 . 1 1 2 2 GLU H H 2 8.756 8.756 9.042 -0.286 18171 5607 1 17 . 1 1 3 3 GLU N N 3 120.051 120.051 119.796 0.255 18171 5608 1 17 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.059 -0.043 18171 5609 1 17 . 1 1 3 3 GLU C C 3 178.863 178.863 179.027 -0.164 18171 5610 1 17 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.058 -0.052 18171 5611 1 17 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.061 1.304 18171 5612 1 17 . 1 1 3 3 GLU H H 3 7.722 7.722 8.592 -0.870 18171 5613 1 17 . 1 1 4 4 VAL N N 4 120.223 120.223 119.773 0.450 18171 5614 1 17 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.575 -0.066 18171 5615 1 17 . 1 1 4 4 VAL C C 4 177.687 177.687 178.106 -0.419 18171 5616 1 17 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.956 0.711 18171 5617 1 17 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.640 -0.099 18171 5618 1 17 . 1 1 4 4 VAL H H 4 7.815 7.815 7.435 0.380 18171 5619 1 17 . 1 1 5 5 ILE N N 5 118.475 118.475 118.737 -0.262 18171 5620 1 17 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.637 -0.137 18171 5621 1 17 . 1 1 5 5 ILE C C 5 177.638 177.638 178.220 -0.582 18171 5622 1 17 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.971 -0.610 18171 5623 1 17 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.309 -0.173 18171 5624 1 17 . 1 1 5 5 ILE H H 5 8.293 8.293 7.843 0.450 18171 5625 1 17 . 1 1 6 6 SER N N 6 113.327 113.327 114.678 -1.351 18171 5626 1 17 . 1 1 6 6 SER HA H 6 4.034 4.034 4.249 -0.215 18171 5627 1 17 . 1 1 6 6 SER C C 6 176.398 176.398 176.503 -0.105 18171 5628 1 17 . 1 1 6 6 SER CA C 6 61.781 61.781 61.075 0.706 18171 5629 1 17 . 1 1 6 6 SER CB C 6 62.770 62.770 62.950 -0.180 18171 5630 1 17 . 1 1 6 6 SER H H 6 7.740 7.740 8.045 -0.305 18171 5631 1 17 . 1 1 7 7 LYS N N 7 119.755 119.755 122.173 -2.418 18171 5632 1 17 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.200 -0.057 18171 5633 1 17 . 1 1 7 7 LYS C C 7 179.622 179.622 179.042 0.580 18171 5634 1 17 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.629 -0.623 18171 5635 1 17 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.919 -0.177 18171 5636 1 17 . 1 1 7 7 LYS H H 7 7.523 7.523 8.023 -0.500 18171 5637 1 17 . 1 1 8 8 ILE N N 8 119.544 119.544 120.288 -0.744 18171 5638 1 17 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.854 -0.211 18171 5639 1 17 . 1 1 8 8 ILE C C 8 177.510 177.510 177.015 0.495 18171 5640 1 17 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.052 2.128 18171 5641 1 17 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.336 1.125 18171 5642 1 17 . 1 1 8 8 ILE H H 8 8.132 8.132 7.723 0.409 18171 5643 1 17 . 1 1 9 9 MET N N 9 114.616 114.616 115.705 -1.089 18171 5644 1 17 . 1 1 9 9 MET HA H 9 4.104 4.104 4.187 -0.083 18171 5645 1 17 . 1 1 9 9 MET C C 9 177.018 177.018 176.787 0.231 18171 5646 1 17 . 1 1 9 9 MET CA C 9 56.601 56.601 57.479 -0.878 18171 5647 1 17 . 1 1 9 9 MET CB C 9 31.479 31.479 31.840 -0.361 18171 5648 1 17 . 1 1 9 9 MET H H 9 7.835 7.835 7.496 0.339 18171 5649 1 17 . 1 1 10 10 GLU N N 10 116.206 116.206 118.291 -2.085 18171 5650 1 17 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.021 0.131 18171 5651 1 17 . 1 1 10 10 GLU C C 10 176.263 176.263 177.147 -0.884 18171 5652 1 17 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.743 -0.660 18171 5653 1 17 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.698 0.312 18171 5654 1 17 . 1 1 10 10 GLU H H 10 7.318 7.318 7.788 -0.470 18171 5655 1 17 . 1 1 11 11 ASN N N 11 119.007 119.007 117.409 1.598 18171 5656 1 17 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.078 0.063 18171 5657 1 17 . 1 1 11 11 ASN C C 11 173.093 173.093 173.397 -0.304 18171 5658 1 17 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.311 0.398 18171 5659 1 17 . 1 1 11 11 ASN CB C 11 40.100 40.100 41.392 -1.292 18171 5660 1 17 . 1 1 11 11 ASN H H 11 7.707 7.707 7.597 0.110 18171 5661 1 17 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.363 -0.080 18171 5662 1 17 . 1 1 12 12 PRO C C 12 177.932 177.932 177.695 0.237 18171 5663 1 17 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.376 0.852 18171 5664 1 17 . 1 1 12 12 PRO CB C 12 32.008 32.008 32.166 -0.158 18171 5665 1 17 . 1 1 13 13 ASP N N 13 116.410 116.410 120.190 -3.780 18171 5666 1 17 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.414 0.011 18171 5667 1 17 . 1 1 13 13 ASP C C 13 178.456 178.456 178.262 0.194 18171 5668 1 17 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.745 -0.936 18171 5669 1 17 . 1 1 13 13 ASP CB C 13 39.939 39.939 41.023 -1.084 18171 5670 1 17 . 1 1 13 13 ASP H H 13 8.218 8.218 9.198 -0.980 18171 5671 1 17 . 1 1 14 14 VAL N N 14 120.053 120.053 119.873 0.180 18171 5672 1 17 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.760 0.022 18171 5673 1 17 . 1 1 14 14 VAL C C 14 177.045 177.045 177.254 -0.209 18171 5674 1 17 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.412 -1.062 18171 5675 1 17 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.536 0.225 18171 5676 1 17 . 1 1 14 14 VAL H H 14 7.722 7.722 7.440 0.282 18171 5677 1 17 . 1 1 15 15 ALA N N 15 121.814 121.814 122.442 -0.628 18171 5678 1 17 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.790 0.132 18171 5679 1 17 . 1 1 15 15 ALA C C 15 180.315 180.315 179.202 1.113 18171 5680 1 17 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.220 0.434 18171 5681 1 17 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.201 -0.024 18171 5682 1 17 . 1 1 15 15 ALA H H 15 8.245 8.245 7.466 0.779 18171 5683 1 17 . 1 1 16 16 MET N N 16 114.438 114.438 117.807 -3.369 18171 5684 1 17 . 1 1 16 16 MET HA H 16 4.234 4.234 4.581 -0.347 18171 5685 1 17 . 1 1 16 16 MET C C 16 178.930 178.930 178.838 0.092 18171 5686 1 17 . 1 1 16 16 MET CA C 16 58.011 58.011 57.301 0.710 18171 5687 1 17 . 1 1 16 16 MET CB C 16 32.027 32.027 32.310 -0.283 18171 5688 1 17 . 1 1 16 16 MET H H 16 7.878 7.878 7.731 0.147 18171 5689 1 17 . 1 1 17 17 ALA N N 17 123.280 123.280 123.613 -0.333 18171 5690 1 17 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.157 0.021 18171 5691 1 17 . 1 1 17 17 ALA C C 17 179.091 179.091 179.737 -0.646 18171 5692 1 17 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.951 -0.388 18171 5693 1 17 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.044 0.347 18171 5694 1 17 . 1 1 17 17 ALA H H 17 7.647 7.647 8.005 -0.358 18171 5695 1 17 . 1 1 18 18 PHE N N 18 114.808 114.808 116.329 -1.521 18171 5696 1 17 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.218 -0.100 18171 5697 1 17 . 1 1 18 18 PHE C C 18 175.169 175.169 176.622 -1.453 18171 5698 1 17 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.117 -0.683 18171 5699 1 17 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.629 0.414 18171 5700 1 17 . 1 1 18 18 PHE H H 18 8.032 8.032 8.589 -0.557 18171 5701 1 17 . 1 1 19 19 GLN N N 19 114.221 114.221 116.867 -2.646 18171 5702 1 17 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.289 -0.222 18171 5703 1 17 . 1 1 19 19 GLN C C 19 175.843 175.843 175.691 0.152 18171 5704 1 17 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.804 0.343 18171 5705 1 17 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.669 -0.049 18171 5706 1 17 . 1 1 19 19 GLN H H 19 7.414 7.414 7.556 -0.142 18171 5707 1 17 . 1 1 20 20 ASN N N 20 119.994 119.994 119.315 0.679 18171 5708 1 17 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.161 -0.278 18171 5709 1 17 . 1 1 20 20 ASN C C 20 174.726 174.726 173.976 0.750 18171 5710 1 17 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.540 0.061 18171 5711 1 17 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.498 -1.241 18171 5712 1 17 . 1 1 20 20 ASN H H 20 7.497 7.497 7.813 -0.316 18171 5713 1 17 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.483 -0.294 18171 5714 1 17 . 1 1 21 21 PRO C C 21 178.747 178.747 178.591 0.156 18171 5715 1 17 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.586 -0.540 18171 5716 1 17 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.274 -0.153 18171 5717 1 17 . 1 1 22 22 ARG N N 22 117.899 117.899 118.878 -0.979 18171 5718 1 17 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.052 0.041 18171 5719 1 17 . 1 1 22 22 ARG C C 22 178.827 178.827 178.592 0.235 18171 5720 1 17 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.203 -0.217 18171 5721 1 17 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.617 0.814 18171 5722 1 17 . 1 1 22 22 ARG H H 22 8.066 8.066 8.585 -0.519 18171 5723 1 17 . 1 1 23 23 VAL N N 23 119.694 119.694 119.345 0.349 18171 5724 1 17 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.504 -0.120 18171 5725 1 17 . 1 1 23 23 VAL C C 23 177.319 177.319 177.317 0.002 18171 5726 1 17 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.118 -0.370 18171 5727 1 17 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.335 0.186 18171 5728 1 17 . 1 1 23 23 VAL H H 23 7.199 7.199 7.425 -0.226 18171 5729 1 17 . 1 1 24 24 GLN N N 24 117.842 117.842 119.567 -1.725 18171 5730 1 17 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.668 -0.035 18171 5731 1 17 . 1 1 24 24 GLN C C 24 177.902 177.902 178.138 -0.236 18171 5732 1 17 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.149 0.520 18171 5733 1 17 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.557 -0.537 18171 5734 1 17 . 1 1 24 24 GLN H H 24 7.790 7.790 7.929 -0.139 18171 5735 1 17 . 1 1 25 25 ALA N N 25 119.267 119.267 120.343 -1.076 18171 5736 1 17 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.162 -0.116 18171 5737 1 17 . 1 1 25 25 ALA C C 25 179.854 179.854 179.038 0.816 18171 5738 1 17 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.517 0.529 18171 5739 1 17 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.058 -0.234 18171 5740 1 17 . 1 1 25 25 ALA H H 25 7.808 7.808 8.396 -0.588 18171 5741 1 17 . 1 1 26 26 ALA N N 26 120.738 120.738 122.503 -1.765 18171 5742 1 17 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.848 0.073 18171 5743 1 17 . 1 1 26 26 ALA C C 26 179.988 179.988 179.859 0.129 18171 5744 1 17 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.611 0.588 18171 5745 1 17 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.165 0.006 18171 5746 1 17 . 1 1 26 26 ALA H H 26 7.500 7.500 7.271 0.229 18171 5747 1 17 . 1 1 27 27 LEU N N 27 118.511 118.511 119.470 -0.959 18171 5748 1 17 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.158 -0.245 18171 5749 1 17 . 1 1 27 27 LEU C C 27 179.923 179.923 178.844 1.079 18171 5750 1 17 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.144 -0.085 18171 5751 1 17 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.671 -0.743 18171 5752 1 17 . 1 1 27 27 LEU H H 27 8.324 8.324 8.328 -0.004 18171 5753 1 17 . 1 1 28 28 MET N N 28 118.681 118.681 117.963 0.718 18171 5754 1 17 . 1 1 28 28 MET HA H 28 4.144 4.144 4.025 0.119 18171 5755 1 17 . 1 1 28 28 MET C C 28 179.635 179.635 178.624 1.011 18171 5756 1 17 . 1 1 28 28 MET CA C 28 58.734 58.734 59.013 -0.279 18171 5757 1 17 . 1 1 28 28 MET CB C 28 31.901 31.901 32.455 -0.554 18171 5758 1 17 . 1 1 28 28 MET H H 28 8.127 8.127 8.091 0.036 18171 5759 1 17 . 1 1 29 29 GLU N N 29 119.813 119.813 119.031 0.782 18171 5760 1 17 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.177 0.049 18171 5761 1 17 . 1 1 29 29 GLU C C 29 180.544 180.544 178.947 1.597 18171 5762 1 17 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.726 0.970 18171 5763 1 17 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.578 0.100 18171 5764 1 17 . 1 1 29 29 GLU H H 29 8.302 8.302 8.206 0.096 18171 5765 1 17 . 1 1 30 30 CYS N N 30 118.465 118.465 118.685 -0.220 18171 5766 1 17 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.123 0.330 18171 5767 1 17 . 1 1 30 30 CYS C C 30 175.357 175.357 175.743 -0.386 18171 5768 1 17 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.365 0.117 18171 5769 1 17 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.968 -1.178 18171 5770 1 17 . 1 1 30 30 CYS H H 30 8.465 8.465 7.933 0.532 18171 5771 1 17 . 1 1 31 31 SER N N 31 114.366 114.366 113.898 0.468 18171 5772 1 17 . 1 1 31 31 SER HA H 31 4.174 4.174 4.153 0.021 18171 5773 1 17 . 1 1 31 31 SER C C 31 175.371 175.371 176.013 -0.642 18171 5774 1 17 . 1 1 31 31 SER CA C 31 60.932 60.932 60.889 0.043 18171 5775 1 17 . 1 1 31 31 SER CB C 31 62.749 62.749 62.951 -0.202 18171 5776 1 17 . 1 1 31 31 SER H H 31 7.859 7.859 7.718 0.141 18171 5777 1 17 . 1 1 32 32 GLU N N 32 119.996 119.996 120.637 -0.641 18171 5778 1 17 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.197 0.007 18171 5779 1 17 . 1 1 32 32 GLU C C 32 176.983 176.983 176.967 0.016 18171 5780 1 17 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.299 -0.327 18171 5781 1 17 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.428 -0.351 18171 5782 1 17 . 1 1 32 32 GLU H H 32 7.254 7.254 8.000 -0.746 18171 5783 1 17 . 1 1 33 33 ASN N N 33 113.026 113.026 112.127 0.899 18171 5784 1 17 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.901 0.072 18171 5785 1 17 . 1 1 33 33 ASN C C 33 173.504 173.504 173.109 0.395 18171 5786 1 17 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.645 -1.909 18171 5787 1 17 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.387 0.098 18171 5788 1 17 . 1 1 33 33 ASN H H 33 7.370 7.370 7.533 -0.163 18171 5789 1 17 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.141 0.433 18171 5790 1 17 . 1 1 34 34 PRO C C 34 178.270 178.270 177.326 0.944 18171 5791 1 17 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.708 0.119 18171 5792 1 17 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.945 -0.191 18171 5793 1 17 . 1 1 35 35 MET N N 35 115.258 115.258 115.191 0.067 18171 5794 1 17 . 1 1 35 35 MET HA H 35 4.330 4.330 4.228 0.102 18171 5795 1 17 . 1 1 35 35 MET C C 35 178.569 178.569 177.071 1.498 18171 5796 1 17 . 1 1 35 35 MET CA C 35 57.050 57.050 56.392 0.658 18171 5797 1 17 . 1 1 35 35 MET CB C 35 31.300 31.300 30.898 0.402 18171 5798 1 17 . 1 1 35 35 MET H H 35 7.962 7.962 8.064 -0.102 18171 5799 1 17 . 1 1 36 36 ASN N N 36 117.357 117.357 118.962 -1.605 18171 5800 1 17 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.643 -0.070 18171 5801 1 17 . 1 1 36 36 ASN C C 36 176.470 176.470 177.426 -0.956 18171 5802 1 17 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.688 -0.562 18171 5803 1 17 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.664 0.778 18171 5804 1 17 . 1 1 36 36 ASN H H 36 8.462 8.462 8.126 0.336 18171 5805 1 17 . 1 1 37 37 ILE N N 37 121.622 121.622 121.437 0.185 18171 5806 1 17 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.801 0.309 18171 5807 1 17 . 1 1 37 37 ILE C C 37 177.331 177.331 177.033 0.298 18171 5808 1 17 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.172 -0.584 18171 5809 1 17 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.834 0.181 18171 5810 1 17 . 1 1 37 37 ILE H H 37 7.820 7.820 7.385 0.435 18171 5811 1 17 . 1 1 38 38 MET N N 38 118.071 118.071 116.545 1.526 18171 5812 1 17 . 1 1 38 38 MET HA H 38 4.174 4.174 4.081 0.093 18171 5813 1 17 . 1 1 38 38 MET C C 38 178.456 178.456 177.268 1.188 18171 5814 1 17 . 1 1 38 38 MET CA C 38 57.563 57.563 58.239 -0.676 18171 5815 1 17 . 1 1 38 38 MET CB C 38 31.533 31.533 32.273 -0.740 18171 5816 1 17 . 1 1 38 38 MET H H 38 7.479 7.479 7.554 -0.075 18171 5817 1 17 . 1 1 39 39 LYS N N 39 117.427 117.427 118.056 -0.629 18171 5818 1 17 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.116 -0.169 18171 5819 1 17 . 1 1 39 39 LYS C C 39 177.456 177.456 178.491 -1.035 18171 5820 1 17 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.234 -0.222 18171 5821 1 17 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.367 -1.594 18171 5822 1 17 . 1 1 39 39 LYS H H 39 7.580 7.580 7.833 -0.253 18171 5823 1 17 . 1 1 40 40 TYR N N 40 116.049 116.049 119.200 -3.151 18171 5824 1 17 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.346 0.184 18171 5825 1 17 . 1 1 40 40 TYR C C 40 175.635 175.635 178.030 -2.395 18171 5826 1 17 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.042 -0.644 18171 5827 1 17 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.870 2.620 18171 5828 1 17 . 1 1 40 40 TYR H H 40 7.651 7.651 7.789 -0.138 18171 5829 1 17 . 1 1 41 41 GLN N N 41 116.626 116.626 119.658 -3.032 18171 5830 1 17 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.011 0.322 18171 5831 1 17 . 1 1 41 41 GLN C C 41 175.887 175.887 176.757 -0.870 18171 5832 1 17 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.440 0.146 18171 5833 1 17 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.445 1.602 18171 5834 1 17 . 1 1 41 41 GLN H H 41 7.001 7.001 7.873 -0.872 18171 5835 1 17 . 1 1 42 42 ASN N N 42 114.491 114.491 116.000 -1.509 18171 5836 1 17 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.742 0.120 18171 5837 1 17 . 1 1 42 42 ASN C C 42 173.784 173.784 175.124 -1.340 18171 5838 1 17 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.752 -1.220 18171 5839 1 17 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.035 -0.447 18171 5840 1 17 . 1 1 42 42 ASN H H 42 8.281 8.281 7.628 0.653 18171 5841 1 17 . 1 1 43 43 ASP N N 43 122.981 122.981 121.777 1.204 18171 5842 1 17 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.744 0.011 18171 5843 1 17 . 1 1 43 43 ASP C C 43 174.773 174.773 176.156 -1.383 18171 5844 1 17 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.022 -0.415 18171 5845 1 17 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.630 0.738 18171 5846 1 17 . 1 1 43 43 ASP H H 43 7.960 7.960 8.028 -0.068 18171 5847 1 17 . 1 1 44 44 LYS N N 44 125.893 125.893 126.829 -0.936 18171 5848 1 17 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.878 -0.018 18171 5849 1 17 . 1 1 44 44 LYS C C 44 177.796 177.796 178.232 -0.436 18171 5850 1 17 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.669 0.127 18171 5851 1 17 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.575 -0.039 18171 5852 1 17 . 1 1 44 44 LYS H H 44 8.361 8.361 7.958 0.403 18171 5853 1 17 . 1 1 45 45 GLU N N 45 116.698 116.698 118.276 -1.578 18171 5854 1 17 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.119 -0.052 18171 5855 1 17 . 1 1 45 45 GLU C C 45 178.724 178.724 178.788 -0.064 18171 5856 1 17 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.387 0.068 18171 5857 1 17 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.381 0.376 18171 5858 1 17 . 1 1 45 45 GLU H H 45 8.127 8.127 8.017 0.110 18171 5859 1 17 . 1 1 46 46 VAL N N 46 117.476 117.476 119.783 -2.307 18171 5860 1 17 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.727 -0.313 18171 5861 1 17 . 1 1 46 46 VAL C C 46 177.879 177.879 178.252 -0.373 18171 5862 1 17 . 1 1 46 46 VAL CA C 46 66.430 66.430 65.964 0.466 18171 5863 1 17 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.244 0.784 18171 5864 1 17 . 1 1 46 46 VAL H H 46 7.452 7.452 7.638 -0.186 18171 5865 1 17 . 1 1 47 47 MET N N 47 117.027 117.027 119.894 -2.867 18171 5866 1 17 . 1 1 47 47 MET HA H 47 4.479 4.479 4.200 0.279 18171 5867 1 17 . 1 1 47 47 MET C C 47 179.307 179.307 178.867 0.440 18171 5868 1 17 . 1 1 47 47 MET CA C 47 56.809 56.809 58.502 -1.694 18171 5869 1 17 . 1 1 47 47 MET CB C 47 30.371 30.371 31.172 -0.801 18171 5870 1 17 . 1 1 47 47 MET H H 47 8.542 8.542 8.186 0.356 18171 5871 1 17 . 1 1 48 48 ASP N N 48 119.811 119.811 120.085 -0.274 18171 5872 1 17 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.431 0.061 18171 5873 1 17 . 1 1 48 48 ASP C C 48 179.136 179.136 179.149 -0.013 18171 5874 1 17 . 1 1 48 48 ASP CA C 48 57.571 57.571 58.157 -0.586 18171 5875 1 17 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.669 -0.216 18171 5876 1 17 . 1 1 48 48 ASP H H 48 8.580 8.580 8.071 0.509 18171 5877 1 17 . 1 1 49 49 VAL N N 49 118.816 118.816 120.338 -1.522 18171 5878 1 17 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.744 -0.106 18171 5879 1 17 . 1 1 49 49 VAL C C 49 177.777 177.777 177.645 0.132 18171 5880 1 17 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.279 0.178 18171 5881 1 17 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.803 -0.737 18171 5882 1 17 . 1 1 49 49 VAL H H 49 7.319 7.319 7.592 -0.273 18171 5883 1 17 . 1 1 50 50 PHE N N 50 120.305 120.305 119.166 1.139 18171 5884 1 17 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.202 -0.066 18171 5885 1 17 . 1 1 50 50 PHE C C 50 178.505 178.505 178.038 0.467 18171 5886 1 17 . 1 1 50 50 PHE CA C 50 61.540 61.540 61.991 -0.451 18171 5887 1 17 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.777 -0.468 18171 5888 1 17 . 1 1 50 50 PHE H H 50 8.529 8.529 8.966 -0.437 18171 5889 1 17 . 1 1 51 51 ASN N N 51 117.888 117.888 117.702 0.186 18171 5890 1 17 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.495 -0.080 18171 5891 1 17 . 1 1 51 51 ASN C C 51 177.863 177.863 176.955 0.908 18171 5892 1 17 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.072 0.096 18171 5893 1 17 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.697 -0.388 18171 5894 1 17 . 1 1 51 51 ASN H H 51 8.886 8.886 8.659 0.227 18171 5895 1 17 . 1 1 52 52 LYS N N 52 120.120 120.120 121.063 -0.943 18171 5896 1 17 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.204 -0.094 18171 5897 1 17 . 1 1 52 52 LYS C C 52 179.002 179.002 178.778 0.224 18171 5898 1 17 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.145 -0.171 18171 5899 1 17 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.457 -0.402 18171 5900 1 17 . 1 1 52 52 LYS H H 52 7.760 7.760 7.184 0.576 18171 5901 1 17 . 1 1 53 53 ILE N N 53 117.988 117.988 118.819 -0.831 18171 5902 1 17 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.529 0.228 18171 5903 1 17 . 1 1 53 53 ILE C C 53 177.686 177.686 176.794 0.892 18171 5904 1 17 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.746 1.295 18171 5905 1 17 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.481 0.186 18171 5906 1 17 . 1 1 53 53 ILE H H 53 8.400 8.400 8.410 -0.010 18171 5907 1 17 . 1 1 54 54 SER N N 54 114.267 114.267 111.583 2.684 18171 5908 1 17 . 1 1 54 54 SER HA H 54 4.050 4.050 4.363 -0.313 18171 5909 1 17 . 1 1 54 54 SER C C 54 175.690 175.690 175.925 -0.235 18171 5910 1 17 . 1 1 54 54 SER CA C 54 61.417 61.417 60.425 0.992 18171 5911 1 17 . 1 1 54 54 SER CB C 54 62.922 62.922 64.112 -1.190 18171 5912 1 17 . 1 1 54 54 SER H H 54 8.042 8.042 7.732 0.310 18171 5913 1 17 . 1 1 55 55 GLN N N 55 118.045 118.045 119.518 -1.473 18171 5914 1 17 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.287 -0.147 18171 5915 1 17 . 1 1 55 55 GLN C C 55 177.193 177.193 178.224 -1.031 18171 5916 1 17 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.708 -0.626 18171 5917 1 17 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.378 -0.658 18171 5918 1 17 . 1 1 55 55 GLN H H 55 7.415 7.415 7.635 -0.220 18171 5919 1 17 . 1 1 56 56 LEU N N 56 118.492 118.492 119.466 -0.974 18171 5920 1 17 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.210 -0.177 18171 5921 1 17 . 1 1 56 56 LEU C C 56 176.578 176.578 176.142 0.436 18171 5922 1 17 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.168 -0.263 18171 5923 1 17 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.553 -0.005 18171 5924 1 17 . 1 1 56 56 LEU H H 56 7.732 7.732 8.179 -0.447 18171 5925 1 17 . 1 1 57 57 PHE N N 57 116.774 116.774 116.427 0.347 18171 5926 1 17 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.846 0.046 18171 5927 1 17 . 1 1 57 57 PHE C C 57 173.125 173.125 174.733 -1.608 18171 5928 1 17 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.502 0.709 18171 5929 1 17 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.204 0.819 18171 5930 1 17 . 1 1 57 57 PHE H H 57 7.629 7.629 7.873 -0.244 18171 5931 1 17 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.404 0.076 18171 5932 1 17 . 1 1 58 58 PRO C C 58 178.090 178.090 178.644 -0.554 18171 5933 1 17 . 1 1 58 58 PRO CA C 58 63.972 63.972 64.296 -0.324 18171 5934 1 17 . 1 1 58 58 PRO CB C 58 30.927 30.927 32.096 -1.169 18171 5935 1 17 . 1 1 59 59 GLY N N 59 108.335 108.335 106.880 1.455 18171 5936 1 17 . 1 1 59 59 GLY C C 59 174.930 174.930 174.427 0.503 18171 5937 1 17 . 1 1 59 59 GLY CA C 59 45.384 45.384 44.573 0.811 18171 5938 1 17 . 1 1 59 59 GLY H H 59 8.411 8.411 8.339 0.072 18171 5939 1 17 . 1 1 60 60 MET N N 60 119.206 119.206 118.768 0.438 18171 5940 1 17 . 1 1 60 60 MET HA H 60 4.467 4.467 4.351 0.116 18171 5941 1 17 . 1 1 60 60 MET C C 60 176.320 176.320 176.174 0.146 18171 5942 1 17 . 1 1 60 60 MET CA C 60 56.395 56.395 55.423 0.972 18171 5943 1 17 . 1 1 60 60 MET CB C 60 32.964 32.964 32.843 0.121 18171 5944 1 17 . 1 1 60 60 MET H H 60 8.053 8.053 7.591 0.462 18171 5945 1 17 . 1 1 61 61 THR N N 61 111.041 111.041 116.842 -5.801 18171 5946 1 17 . 1 1 61 61 THR HA H 61 4.402 4.402 4.266 0.136 18171 5947 1 17 . 1 1 61 61 THR C C 61 173.976 173.976 175.023 -1.047 18171 5948 1 17 . 1 1 61 61 THR CA C 61 61.233 61.233 62.991 -1.758 18171 5949 1 17 . 1 1 61 61 THR CB C 61 70.120 70.120 68.961 1.159 18171 5950 1 17 . 1 1 61 61 THR H H 61 7.880 7.880 8.342 -0.462 18171 5951 1 18 . 1 1 2 2 GLU N N 2 115.081 115.081 121.426 -6.345 18171 5952 1 18 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.943 -0.083 18171 5953 1 18 . 1 1 2 2 GLU C C 2 179.259 179.259 178.424 0.835 18171 5954 1 18 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.651 0.709 18171 5955 1 18 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.692 -0.966 18171 5956 1 18 . 1 1 2 2 GLU H H 2 8.756 8.756 8.746 0.010 18171 5957 1 18 . 1 1 3 3 GLU N N 3 120.051 120.051 119.827 0.224 18171 5958 1 18 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.121 -0.105 18171 5959 1 18 . 1 1 3 3 GLU C C 3 178.863 178.863 178.709 0.154 18171 5960 1 18 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.458 -0.452 18171 5961 1 18 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.455 0.910 18171 5962 1 18 . 1 1 3 3 GLU H H 3 7.722 7.722 8.319 -0.597 18171 5963 1 18 . 1 1 4 4 VAL N N 4 120.223 120.223 119.586 0.637 18171 5964 1 18 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.726 -0.217 18171 5965 1 18 . 1 1 4 4 VAL C C 4 177.687 177.687 177.946 -0.259 18171 5966 1 18 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.188 1.479 18171 5967 1 18 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.754 -0.213 18171 5968 1 18 . 1 1 4 4 VAL H H 4 7.815 7.815 7.867 -0.052 18171 5969 1 18 . 1 1 5 5 ILE N N 5 118.475 118.475 118.790 -0.315 18171 5970 1 18 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.530 -0.030 18171 5971 1 18 . 1 1 5 5 ILE C C 5 177.638 177.638 177.695 -0.057 18171 5972 1 18 . 1 1 5 5 ILE CA C 5 64.361 64.361 65.052 -0.691 18171 5973 1 18 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.200 -0.063 18171 5974 1 18 . 1 1 5 5 ILE H H 5 8.293 8.293 8.386 -0.093 18171 5975 1 18 . 1 1 6 6 SER N N 6 113.327 113.327 114.548 -1.221 18171 5976 1 18 . 1 1 6 6 SER HA H 6 4.034 4.034 4.223 -0.189 18171 5977 1 18 . 1 1 6 6 SER C C 6 176.398 176.398 176.347 0.051 18171 5978 1 18 . 1 1 6 6 SER CA C 6 61.781 61.781 61.191 0.590 18171 5979 1 18 . 1 1 6 6 SER CB C 6 62.770 62.770 62.936 -0.166 18171 5980 1 18 . 1 1 6 6 SER H H 6 7.740 7.740 7.745 -0.005 18171 5981 1 18 . 1 1 7 7 LYS N N 7 119.755 119.755 122.074 -2.319 18171 5982 1 18 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.114 0.029 18171 5983 1 18 . 1 1 7 7 LYS C C 7 179.622 179.622 178.816 0.806 18171 5984 1 18 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.467 -0.461 18171 5985 1 18 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.789 -0.047 18171 5986 1 18 . 1 1 7 7 LYS H H 7 7.523 7.523 7.918 -0.395 18171 5987 1 18 . 1 1 8 8 ILE N N 8 119.544 119.544 120.021 -0.477 18171 5988 1 18 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.657 -0.014 18171 5989 1 18 . 1 1 8 8 ILE C C 8 177.510 177.510 177.414 0.096 18171 5990 1 18 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.423 1.757 18171 5991 1 18 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.255 1.206 18171 5992 1 18 . 1 1 8 8 ILE H H 8 8.132 8.132 7.769 0.363 18171 5993 1 18 . 1 1 9 9 MET N N 9 114.616 114.616 117.738 -3.122 18171 5994 1 18 . 1 1 9 9 MET HA H 9 4.104 4.104 4.119 -0.015 18171 5995 1 18 . 1 1 9 9 MET C C 9 177.018 177.018 176.981 0.037 18171 5996 1 18 . 1 1 9 9 MET CA C 9 56.601 56.601 57.298 -0.697 18171 5997 1 18 . 1 1 9 9 MET CB C 9 31.479 31.479 31.371 0.108 18171 5998 1 18 . 1 1 9 9 MET H H 9 7.835 7.835 7.589 0.246 18171 5999 1 18 . 1 1 10 10 GLU N N 10 116.206 116.206 120.009 -3.803 18171 6000 1 18 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.087 0.065 18171 6001 1 18 . 1 1 10 10 GLU C C 10 176.263 176.263 177.360 -1.097 18171 6002 1 18 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.810 -0.727 18171 6003 1 18 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.679 0.331 18171 6004 1 18 . 1 1 10 10 GLU H H 10 7.318 7.318 7.932 -0.614 18171 6005 1 18 . 1 1 11 11 ASN N N 11 119.007 119.007 116.472 2.535 18171 6006 1 18 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.088 0.053 18171 6007 1 18 . 1 1 11 11 ASN C C 11 173.093 173.093 173.216 -0.123 18171 6008 1 18 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.887 -0.178 18171 6009 1 18 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.272 -0.172 18171 6010 1 18 . 1 1 11 11 ASN H H 11 7.707 7.707 8.035 -0.328 18171 6011 1 18 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.096 0.187 18171 6012 1 18 . 1 1 12 12 PRO C C 12 177.932 177.932 177.661 0.271 18171 6013 1 18 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.114 0.114 18171 6014 1 18 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.862 0.146 18171 6015 1 18 . 1 1 13 13 ASP N N 13 116.410 116.410 116.939 -0.529 18171 6016 1 18 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.426 -0.001 18171 6017 1 18 . 1 1 13 13 ASP C C 13 178.456 178.456 178.129 0.327 18171 6018 1 18 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.174 -0.365 18171 6019 1 18 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.737 -0.798 18171 6020 1 18 . 1 1 13 13 ASP H H 13 8.218 8.218 8.249 -0.031 18171 6021 1 18 . 1 1 14 14 VAL N N 14 120.053 120.053 119.884 0.169 18171 6022 1 18 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.797 -0.015 18171 6023 1 18 . 1 1 14 14 VAL C C 14 177.045 177.045 177.878 -0.833 18171 6024 1 18 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.768 -1.418 18171 6025 1 18 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.155 0.606 18171 6026 1 18 . 1 1 14 14 VAL H H 14 7.722 7.722 8.159 -0.437 18171 6027 1 18 . 1 1 15 15 ALA N N 15 121.814 121.814 122.387 -0.573 18171 6028 1 18 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.791 0.131 18171 6029 1 18 . 1 1 15 15 ALA C C 15 180.315 180.315 179.233 1.082 18171 6030 1 18 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.039 0.615 18171 6031 1 18 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.172 0.005 18171 6032 1 18 . 1 1 15 15 ALA H H 15 8.245 8.245 7.462 0.783 18171 6033 1 18 . 1 1 16 16 MET N N 16 114.438 114.438 117.974 -3.536 18171 6034 1 18 . 1 1 16 16 MET HA H 16 4.234 4.234 4.469 -0.235 18171 6035 1 18 . 1 1 16 16 MET C C 16 178.930 178.930 178.829 0.101 18171 6036 1 18 . 1 1 16 16 MET CA C 16 58.011 58.011 58.478 -0.467 18171 6037 1 18 . 1 1 16 16 MET CB C 16 32.027 32.027 33.075 -1.048 18171 6038 1 18 . 1 1 16 16 MET H H 16 7.878 7.878 7.813 0.065 18171 6039 1 18 . 1 1 17 17 ALA N N 17 123.280 123.280 123.431 -0.151 18171 6040 1 18 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.139 0.039 18171 6041 1 18 . 1 1 17 17 ALA C C 17 179.091 179.091 179.373 -0.282 18171 6042 1 18 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.812 -0.249 18171 6043 1 18 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.081 0.310 18171 6044 1 18 . 1 1 17 17 ALA H H 17 7.647 7.647 8.413 -0.766 18171 6045 1 18 . 1 1 18 18 PHE N N 18 114.808 114.808 116.300 -1.492 18171 6046 1 18 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.249 -0.131 18171 6047 1 18 . 1 1 18 18 PHE C C 18 175.169 175.169 176.347 -1.178 18171 6048 1 18 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.429 -0.995 18171 6049 1 18 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.697 0.346 18171 6050 1 18 . 1 1 18 18 PHE H H 18 8.032 8.032 8.545 -0.513 18171 6051 1 18 . 1 1 19 19 GLN N N 19 114.221 114.221 116.857 -2.636 18171 6052 1 18 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.338 -0.271 18171 6053 1 18 . 1 1 19 19 GLN C C 19 175.843 175.843 175.416 0.427 18171 6054 1 18 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.452 0.695 18171 6055 1 18 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.850 -0.230 18171 6056 1 18 . 1 1 19 19 GLN H H 19 7.414 7.414 7.533 -0.119 18171 6057 1 18 . 1 1 20 20 ASN N N 20 119.994 119.994 119.552 0.442 18171 6058 1 18 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.213 -0.330 18171 6059 1 18 . 1 1 20 20 ASN C C 20 174.726 174.726 174.002 0.724 18171 6060 1 18 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.013 0.588 18171 6061 1 18 . 1 1 20 20 ASN CB C 20 39.257 39.257 39.270 -0.013 18171 6062 1 18 . 1 1 20 20 ASN H H 20 7.497 7.497 7.835 -0.338 18171 6063 1 18 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.323 -0.134 18171 6064 1 18 . 1 1 21 21 PRO C C 21 178.747 178.747 178.776 -0.029 18171 6065 1 18 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.602 -0.556 18171 6066 1 18 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.331 -0.210 18171 6067 1 18 . 1 1 22 22 ARG N N 22 117.899 117.899 118.026 -0.127 18171 6068 1 18 . 1 1 22 22 ARG HA H 22 4.093 4.093 3.999 0.094 18171 6069 1 18 . 1 1 22 22 ARG C C 22 178.827 178.827 178.866 -0.039 18171 6070 1 18 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.947 0.039 18171 6071 1 18 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.041 1.390 18171 6072 1 18 . 1 1 22 22 ARG H H 22 8.066 8.066 8.256 -0.190 18171 6073 1 18 . 1 1 23 23 VAL N N 23 119.694 119.694 120.188 -0.494 18171 6074 1 18 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.545 -0.161 18171 6075 1 18 . 1 1 23 23 VAL C C 23 177.319 177.319 177.278 0.041 18171 6076 1 18 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.370 -0.622 18171 6077 1 18 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.478 0.043 18171 6078 1 18 . 1 1 23 23 VAL H H 23 7.199 7.199 7.818 -0.619 18171 6079 1 18 . 1 1 24 24 GLN N N 24 117.842 117.842 119.645 -1.803 18171 6080 1 18 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.717 -0.084 18171 6081 1 18 . 1 1 24 24 GLN C C 24 177.902 177.902 178.096 -0.194 18171 6082 1 18 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.267 0.402 18171 6083 1 18 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.558 -0.538 18171 6084 1 18 . 1 1 24 24 GLN H H 24 7.790 7.790 8.375 -0.585 18171 6085 1 18 . 1 1 25 25 ALA N N 25 119.267 119.267 120.482 -1.215 18171 6086 1 18 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.006 0.040 18171 6087 1 18 . 1 1 25 25 ALA C C 25 179.854 179.854 178.721 1.133 18171 6088 1 18 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.634 0.412 18171 6089 1 18 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.233 -0.409 18171 6090 1 18 . 1 1 25 25 ALA H H 25 7.808 7.808 8.317 -0.509 18171 6091 1 18 . 1 1 26 26 ALA N N 26 120.738 120.738 122.236 -1.498 18171 6092 1 18 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.781 0.140 18171 6093 1 18 . 1 1 26 26 ALA C C 26 179.988 179.988 179.835 0.153 18171 6094 1 18 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.579 0.620 18171 6095 1 18 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.221 -0.050 18171 6096 1 18 . 1 1 26 26 ALA H H 26 7.500 7.500 7.629 -0.129 18171 6097 1 18 . 1 1 27 27 LEU N N 27 118.511 118.511 119.905 -1.394 18171 6098 1 18 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.151 -0.238 18171 6099 1 18 . 1 1 27 27 LEU C C 27 179.923 179.923 178.863 1.060 18171 6100 1 18 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.156 -0.097 18171 6101 1 18 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.715 -0.787 18171 6102 1 18 . 1 1 27 27 LEU H H 27 8.324 8.324 8.398 -0.074 18171 6103 1 18 . 1 1 28 28 MET N N 28 118.681 118.681 118.403 0.278 18171 6104 1 18 . 1 1 28 28 MET HA H 28 4.144 4.144 4.032 0.112 18171 6105 1 18 . 1 1 28 28 MET C C 28 179.635 179.635 178.453 1.182 18171 6106 1 18 . 1 1 28 28 MET CA C 28 58.734 58.734 58.205 0.529 18171 6107 1 18 . 1 1 28 28 MET CB C 28 31.901 31.901 32.297 -0.396 18171 6108 1 18 . 1 1 28 28 MET H H 28 8.127 8.127 8.345 -0.218 18171 6109 1 18 . 1 1 29 29 GLU N N 29 119.813 119.813 118.639 1.174 18171 6110 1 18 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.400 -0.174 18171 6111 1 18 . 1 1 29 29 GLU C C 29 180.544 180.544 178.707 1.837 18171 6112 1 18 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.593 1.103 18171 6113 1 18 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.333 0.344 18171 6114 1 18 . 1 1 29 29 GLU H H 29 8.302 8.302 8.099 0.203 18171 6115 1 18 . 1 1 30 30 CYS N N 30 118.465 118.465 118.336 0.129 18171 6116 1 18 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.158 0.295 18171 6117 1 18 . 1 1 30 30 CYS C C 30 175.357 175.357 175.925 -0.568 18171 6118 1 18 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.233 0.249 18171 6119 1 18 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.698 -0.908 18171 6120 1 18 . 1 1 30 30 CYS H H 30 8.465 8.465 7.894 0.571 18171 6121 1 18 . 1 1 31 31 SER N N 31 114.366 114.366 113.939 0.427 18171 6122 1 18 . 1 1 31 31 SER HA H 31 4.174 4.174 4.182 -0.008 18171 6123 1 18 . 1 1 31 31 SER C C 31 175.371 175.371 176.173 -0.802 18171 6124 1 18 . 1 1 31 31 SER CA C 31 60.932 60.932 60.689 0.243 18171 6125 1 18 . 1 1 31 31 SER CB C 31 62.749 62.749 63.024 -0.275 18171 6126 1 18 . 1 1 31 31 SER H H 31 7.859 7.859 7.816 0.043 18171 6127 1 18 . 1 1 32 32 GLU N N 32 119.996 119.996 120.811 -0.815 18171 6128 1 18 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.220 -0.016 18171 6129 1 18 . 1 1 32 32 GLU C C 32 176.983 176.983 176.991 -0.008 18171 6130 1 18 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.234 -0.262 18171 6131 1 18 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.420 -0.343 18171 6132 1 18 . 1 1 32 32 GLU H H 32 7.254 7.254 7.907 -0.653 18171 6133 1 18 . 1 1 33 33 ASN N N 33 113.026 113.026 112.428 0.598 18171 6134 1 18 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.909 0.064 18171 6135 1 18 . 1 1 33 33 ASN C C 33 173.504 173.504 173.288 0.216 18171 6136 1 18 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.559 -1.823 18171 6137 1 18 . 1 1 33 33 ASN CB C 33 39.485 39.485 39.158 0.327 18171 6138 1 18 . 1 1 33 33 ASN H H 33 7.370 7.370 7.603 -0.233 18171 6139 1 18 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.389 0.185 18171 6140 1 18 . 1 1 34 34 PRO C C 34 178.270 178.270 177.319 0.951 18171 6141 1 18 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.939 -0.112 18171 6142 1 18 . 1 1 34 34 PRO CB C 34 31.754 31.754 32.041 -0.287 18171 6143 1 18 . 1 1 35 35 MET N N 35 115.258 115.258 115.637 -0.379 18171 6144 1 18 . 1 1 35 35 MET HA H 35 4.330 4.330 4.217 0.113 18171 6145 1 18 . 1 1 35 35 MET C C 35 178.569 178.569 177.398 1.171 18171 6146 1 18 . 1 1 35 35 MET CA C 35 57.050 57.050 56.723 0.327 18171 6147 1 18 . 1 1 35 35 MET CB C 35 31.300 31.300 31.303 -0.003 18171 6148 1 18 . 1 1 35 35 MET H H 35 7.962 7.962 7.956 0.006 18171 6149 1 18 . 1 1 36 36 ASN N N 36 117.357 117.357 119.978 -2.621 18171 6150 1 18 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.404 0.169 18171 6151 1 18 . 1 1 36 36 ASN C C 36 176.470 176.470 177.677 -1.207 18171 6152 1 18 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.782 -0.656 18171 6153 1 18 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.378 1.064 18171 6154 1 18 . 1 1 36 36 ASN H H 36 8.462 8.462 8.297 0.165 18171 6155 1 18 . 1 1 37 37 ILE N N 37 121.622 121.622 121.622 0.000 18171 6156 1 18 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.878 0.232 18171 6157 1 18 . 1 1 37 37 ILE C C 37 177.331 177.331 176.052 1.279 18171 6158 1 18 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.274 0.314 18171 6159 1 18 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.940 0.075 18171 6160 1 18 . 1 1 37 37 ILE H H 37 7.820 7.820 7.317 0.503 18171 6161 1 18 . 1 1 38 38 MET N N 38 118.071 118.071 117.143 0.928 18171 6162 1 18 . 1 1 38 38 MET HA H 38 4.174 4.174 4.238 -0.064 18171 6163 1 18 . 1 1 38 38 MET C C 38 178.456 178.456 175.847 2.609 18171 6164 1 18 . 1 1 38 38 MET CA C 38 57.563 57.563 55.824 1.739 18171 6165 1 18 . 1 1 38 38 MET CB C 38 31.533 31.533 30.187 1.346 18171 6166 1 18 . 1 1 38 38 MET H H 38 7.479 7.479 7.655 -0.176 18171 6167 1 18 . 1 1 39 39 LYS N N 39 117.427 117.427 117.384 0.043 18171 6168 1 18 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.228 -0.281 18171 6169 1 18 . 1 1 39 39 LYS C C 39 177.456 177.456 177.747 -0.291 18171 6170 1 18 . 1 1 39 39 LYS CA C 39 58.012 58.012 56.774 1.238 18171 6171 1 18 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.550 -2.777 18171 6172 1 18 . 1 1 39 39 LYS H H 39 7.580 7.580 7.759 -0.179 18171 6173 1 18 . 1 1 40 40 TYR N N 40 116.049 116.049 119.551 -3.502 18171 6174 1 18 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.467 0.063 18171 6175 1 18 . 1 1 40 40 TYR C C 40 175.635 175.635 177.950 -2.315 18171 6176 1 18 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.238 0.160 18171 6177 1 18 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.256 2.234 18171 6178 1 18 . 1 1 40 40 TYR H H 40 7.651 7.651 7.314 0.337 18171 6179 1 18 . 1 1 41 41 GLN N N 41 116.626 116.626 119.264 -2.638 18171 6180 1 18 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.956 0.377 18171 6181 1 18 . 1 1 41 41 GLN C C 41 175.887 175.887 176.737 -0.850 18171 6182 1 18 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.876 -0.290 18171 6183 1 18 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.168 0.880 18171 6184 1 18 . 1 1 41 41 GLN H H 41 7.001 7.001 7.765 -0.764 18171 6185 1 18 . 1 1 42 42 ASN N N 42 114.491 114.491 115.312 -0.821 18171 6186 1 18 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.645 0.217 18171 6187 1 18 . 1 1 42 42 ASN C C 42 173.784 173.784 175.144 -1.360 18171 6188 1 18 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.882 -1.350 18171 6189 1 18 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.538 -0.950 18171 6190 1 18 . 1 1 42 42 ASN H H 42 8.281 8.281 7.571 0.710 18171 6191 1 18 . 1 1 43 43 ASP N N 43 122.981 122.981 121.679 1.302 18171 6192 1 18 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.602 0.153 18171 6193 1 18 . 1 1 43 43 ASP C C 43 174.773 174.773 176.851 -2.078 18171 6194 1 18 . 1 1 43 43 ASP CA C 43 52.607 52.607 54.229 -1.622 18171 6195 1 18 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.874 0.495 18171 6196 1 18 . 1 1 43 43 ASP H H 43 7.960 7.960 7.997 -0.037 18171 6197 1 18 . 1 1 44 44 LYS N N 44 125.893 125.893 126.853 -0.960 18171 6198 1 18 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.959 -0.099 18171 6199 1 18 . 1 1 44 44 LYS C C 44 177.796 177.796 178.722 -0.926 18171 6200 1 18 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.669 0.127 18171 6201 1 18 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.417 0.119 18171 6202 1 18 . 1 1 44 44 LYS H H 44 8.361 8.361 8.268 0.093 18171 6203 1 18 . 1 1 45 45 GLU N N 45 116.698 116.698 118.854 -2.156 18171 6204 1 18 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.100 -0.033 18171 6205 1 18 . 1 1 45 45 GLU C C 45 178.724 178.724 178.661 0.063 18171 6206 1 18 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.350 0.105 18171 6207 1 18 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.764 -0.007 18171 6208 1 18 . 1 1 45 45 GLU H H 45 8.127 8.127 7.879 0.248 18171 6209 1 18 . 1 1 46 46 VAL N N 46 117.476 117.476 119.569 -2.093 18171 6210 1 18 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.823 -0.409 18171 6211 1 18 . 1 1 46 46 VAL C C 46 177.879 177.879 178.151 -0.272 18171 6212 1 18 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.077 0.353 18171 6213 1 18 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.437 0.591 18171 6214 1 18 . 1 1 46 46 VAL H H 46 7.452 7.452 7.701 -0.249 18171 6215 1 18 . 1 1 47 47 MET N N 47 117.027 117.027 119.249 -2.222 18171 6216 1 18 . 1 1 47 47 MET HA H 47 4.479 4.479 4.142 0.337 18171 6217 1 18 . 1 1 47 47 MET C C 47 179.307 179.307 177.900 1.407 18171 6218 1 18 . 1 1 47 47 MET CA C 47 56.809 56.809 59.739 -2.930 18171 6219 1 18 . 1 1 47 47 MET CB C 47 30.371 30.371 32.175 -1.804 18171 6220 1 18 . 1 1 47 47 MET H H 47 8.542 8.542 8.675 -0.133 18171 6221 1 18 . 1 1 48 48 ASP N N 48 119.811 119.811 120.841 -1.030 18171 6222 1 18 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.422 0.070 18171 6223 1 18 . 1 1 48 48 ASP C C 48 179.136 179.136 179.126 0.010 18171 6224 1 18 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.633 -0.062 18171 6225 1 18 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.559 -0.106 18171 6226 1 18 . 1 1 48 48 ASP H H 48 8.580 8.580 8.041 0.539 18171 6227 1 18 . 1 1 49 49 VAL N N 49 118.816 118.816 120.238 -1.422 18171 6228 1 18 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.773 -0.135 18171 6229 1 18 . 1 1 49 49 VAL C C 49 177.777 177.777 177.843 -0.066 18171 6230 1 18 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.172 0.285 18171 6231 1 18 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.806 -0.740 18171 6232 1 18 . 1 1 49 49 VAL H H 49 7.319 7.319 7.523 -0.204 18171 6233 1 18 . 1 1 50 50 PHE N N 50 120.305 120.305 119.584 0.721 18171 6234 1 18 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.200 -0.064 18171 6235 1 18 . 1 1 50 50 PHE C C 50 178.505 178.505 178.094 0.411 18171 6236 1 18 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.488 -0.948 18171 6237 1 18 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.761 -0.452 18171 6238 1 18 . 1 1 50 50 PHE H H 50 8.529 8.529 9.240 -0.711 18171 6239 1 18 . 1 1 51 51 ASN N N 51 117.888 117.888 117.469 0.419 18171 6240 1 18 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.581 -0.166 18171 6241 1 18 . 1 1 51 51 ASN C C 51 177.863 177.863 177.084 0.779 18171 6242 1 18 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.687 0.481 18171 6243 1 18 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.421 -0.112 18171 6244 1 18 . 1 1 51 51 ASN H H 51 8.886 8.886 8.654 0.232 18171 6245 1 18 . 1 1 52 52 LYS N N 52 120.120 120.120 120.991 -0.871 18171 6246 1 18 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.032 0.078 18171 6247 1 18 . 1 1 52 52 LYS C C 52 179.002 179.002 178.432 0.570 18171 6248 1 18 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.210 -0.236 18171 6249 1 18 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.290 -0.235 18171 6250 1 18 . 1 1 52 52 LYS H H 52 7.760 7.760 7.220 0.540 18171 6251 1 18 . 1 1 53 53 ILE N N 53 117.988 117.988 120.158 -2.170 18171 6252 1 18 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.455 0.302 18171 6253 1 18 . 1 1 53 53 ILE C C 53 177.686 177.686 177.730 -0.044 18171 6254 1 18 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.727 0.314 18171 6255 1 18 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.626 0.041 18171 6256 1 18 . 1 1 53 53 ILE H H 53 8.400 8.400 8.517 -0.117 18171 6257 1 18 . 1 1 54 54 SER N N 54 114.267 114.267 114.026 0.241 18171 6258 1 18 . 1 1 54 54 SER HA H 54 4.050 4.050 4.238 -0.188 18171 6259 1 18 . 1 1 54 54 SER C C 54 175.690 175.690 176.288 -0.598 18171 6260 1 18 . 1 1 54 54 SER CA C 54 61.417 61.417 61.147 0.270 18171 6261 1 18 . 1 1 54 54 SER CB C 54 62.922 62.922 63.053 -0.131 18171 6262 1 18 . 1 1 54 54 SER H H 54 8.042 8.042 7.649 0.393 18171 6263 1 18 . 1 1 55 55 GLN N N 55 118.045 118.045 120.420 -2.375 18171 6264 1 18 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.116 0.024 18171 6265 1 18 . 1 1 55 55 GLN C C 55 177.193 177.193 178.038 -0.845 18171 6266 1 18 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.962 -0.880 18171 6267 1 18 . 1 1 55 55 GLN CB C 55 28.720 28.720 28.814 -0.094 18171 6268 1 18 . 1 1 55 55 GLN H H 55 7.415 7.415 7.600 -0.185 18171 6269 1 18 . 1 1 56 56 LEU N N 56 118.492 118.492 117.606 0.886 18171 6270 1 18 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.118 -0.085 18171 6271 1 18 . 1 1 56 56 LEU C C 56 176.578 176.578 176.689 -0.111 18171 6272 1 18 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.369 -0.464 18171 6273 1 18 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.413 0.136 18171 6274 1 18 . 1 1 56 56 LEU H H 56 7.732 7.732 7.949 -0.217 18171 6275 1 18 . 1 1 57 57 PHE N N 57 116.774 116.774 114.488 2.286 18171 6276 1 18 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.993 -0.101 18171 6277 1 18 . 1 1 57 57 PHE C C 57 173.125 173.125 174.234 -1.109 18171 6278 1 18 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.394 1.817 18171 6279 1 18 . 1 1 57 57 PHE CB C 57 39.023 39.023 37.876 1.147 18171 6280 1 18 . 1 1 57 57 PHE H H 57 7.629 7.629 7.262 0.367 18171 6281 1 18 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.503 -0.023 18171 6282 1 18 . 1 1 58 58 PRO C C 58 178.090 178.090 176.737 1.353 18171 6283 1 18 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.598 0.374 18171 6284 1 18 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.268 -0.341 18171 6285 1 18 . 1 1 59 59 GLY N N 59 108.335 108.335 107.648 0.687 18171 6286 1 18 . 1 1 59 59 GLY C C 59 174.930 174.930 173.341 1.589 18171 6287 1 18 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.474 -0.090 18171 6288 1 18 . 1 1 59 59 GLY H H 59 8.411 8.411 7.840 0.571 18171 6289 1 18 . 1 1 60 60 MET N N 60 119.206 119.206 123.338 -4.132 18171 6290 1 18 . 1 1 60 60 MET HA H 60 4.467 4.467 4.510 -0.043 18171 6291 1 18 . 1 1 60 60 MET C C 60 176.320 176.320 176.367 -0.047 18171 6292 1 18 . 1 1 60 60 MET CA C 60 56.395 56.395 54.974 1.421 18171 6293 1 18 . 1 1 60 60 MET CB C 60 32.964 32.964 31.375 1.589 18171 6294 1 18 . 1 1 60 60 MET H H 60 8.053 8.053 8.341 -0.288 18171 6295 1 18 . 1 1 61 61 THR N N 61 111.041 111.041 119.729 -8.688 18171 6296 1 18 . 1 1 61 61 THR HA H 61 4.402 4.402 4.181 0.221 18171 6297 1 18 . 1 1 61 61 THR C C 61 173.976 173.976 175.727 -1.751 18171 6298 1 18 . 1 1 61 61 THR CA C 61 61.233 61.233 64.682 -3.449 18171 6299 1 18 . 1 1 61 61 THR CB C 61 70.120 70.120 69.274 0.846 18171 6300 1 18 . 1 1 61 61 THR H H 61 7.880 7.880 7.817 0.063 18171 6301 1 19 . 1 1 2 2 GLU N N 2 115.081 115.081 121.490 -6.409 18171 6302 1 19 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.026 -0.166 18171 6303 1 19 . 1 1 2 2 GLU C C 2 179.259 179.259 178.604 0.655 18171 6304 1 19 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.523 0.837 18171 6305 1 19 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.579 -0.853 18171 6306 1 19 . 1 1 2 2 GLU H H 2 8.756 8.756 8.817 -0.061 18171 6307 1 19 . 1 1 3 3 GLU N N 3 120.051 120.051 119.858 0.193 18171 6308 1 19 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.151 -0.135 18171 6309 1 19 . 1 1 3 3 GLU C C 3 178.863 178.863 179.019 -0.156 18171 6310 1 19 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.237 -0.231 18171 6311 1 19 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.531 0.834 18171 6312 1 19 . 1 1 3 3 GLU H H 3 7.722 7.722 8.448 -0.726 18171 6313 1 19 . 1 1 4 4 VAL N N 4 120.223 120.223 119.231 0.992 18171 6314 1 19 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.753 -0.244 18171 6315 1 19 . 1 1 4 4 VAL C C 4 177.687 177.687 178.394 -0.707 18171 6316 1 19 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.191 1.476 18171 6317 1 19 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.939 -0.398 18171 6318 1 19 . 1 1 4 4 VAL H H 4 7.815 7.815 7.851 -0.036 18171 6319 1 19 . 1 1 5 5 ILE N N 5 118.475 118.475 119.585 -1.110 18171 6320 1 19 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.551 -0.051 18171 6321 1 19 . 1 1 5 5 ILE C C 5 177.638 177.638 177.500 0.138 18171 6322 1 19 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.920 -0.559 18171 6323 1 19 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.243 -0.107 18171 6324 1 19 . 1 1 5 5 ILE H H 5 8.293 8.293 8.523 -0.230 18171 6325 1 19 . 1 1 6 6 SER N N 6 113.327 113.327 114.510 -1.183 18171 6326 1 19 . 1 1 6 6 SER HA H 6 4.034 4.034 4.200 -0.166 18171 6327 1 19 . 1 1 6 6 SER C C 6 176.398 176.398 176.529 -0.131 18171 6328 1 19 . 1 1 6 6 SER CA C 6 61.781 61.781 61.251 0.530 18171 6329 1 19 . 1 1 6 6 SER CB C 6 62.770 62.770 63.010 -0.240 18171 6330 1 19 . 1 1 6 6 SER H H 6 7.740 7.740 7.742 -0.002 18171 6331 1 19 . 1 1 7 7 LYS N N 7 119.755 119.755 122.507 -2.752 18171 6332 1 19 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.177 -0.034 18171 6333 1 19 . 1 1 7 7 LYS C C 7 179.622 179.622 178.862 0.760 18171 6334 1 19 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.677 -0.671 18171 6335 1 19 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.878 -0.136 18171 6336 1 19 . 1 1 7 7 LYS H H 7 7.523 7.523 8.097 -0.574 18171 6337 1 19 . 1 1 8 8 ILE N N 8 119.544 119.544 120.142 -0.598 18171 6338 1 19 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.826 -0.183 18171 6339 1 19 . 1 1 8 8 ILE C C 8 177.510 177.510 177.402 0.108 18171 6340 1 19 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.169 2.011 18171 6341 1 19 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.151 1.310 18171 6342 1 19 . 1 1 8 8 ILE H H 8 8.132 8.132 7.780 0.352 18171 6343 1 19 . 1 1 9 9 MET N N 9 114.616 114.616 117.338 -2.722 18171 6344 1 19 . 1 1 9 9 MET HA H 9 4.104 4.104 4.145 -0.041 18171 6345 1 19 . 1 1 9 9 MET C C 9 177.018 177.018 177.195 -0.177 18171 6346 1 19 . 1 1 9 9 MET CA C 9 56.601 56.601 58.037 -1.436 18171 6347 1 19 . 1 1 9 9 MET CB C 9 31.479 31.479 31.818 -0.339 18171 6348 1 19 . 1 1 9 9 MET H H 9 7.835 7.835 7.496 0.339 18171 6349 1 19 . 1 1 10 10 GLU N N 10 116.206 116.206 118.656 -2.450 18171 6350 1 19 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.039 0.113 18171 6351 1 19 . 1 1 10 10 GLU C C 10 176.263 176.263 177.163 -0.900 18171 6352 1 19 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.685 -0.602 18171 6353 1 19 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.593 0.417 18171 6354 1 19 . 1 1 10 10 GLU H H 10 7.318 7.318 7.781 -0.463 18171 6355 1 19 . 1 1 11 11 ASN N N 11 119.007 119.007 117.310 1.697 18171 6356 1 19 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.083 0.058 18171 6357 1 19 . 1 1 11 11 ASN C C 11 173.093 173.093 173.278 -0.185 18171 6358 1 19 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.182 0.527 18171 6359 1 19 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.007 0.093 18171 6360 1 19 . 1 1 11 11 ASN H H 11 7.707 7.707 7.745 -0.038 18171 6361 1 19 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.128 0.155 18171 6362 1 19 . 1 1 12 12 PRO C C 12 177.932 177.932 177.543 0.389 18171 6363 1 19 . 1 1 12 12 PRO CA C 12 65.228 65.228 64.959 0.269 18171 6364 1 19 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.630 0.378 18171 6365 1 19 . 1 1 13 13 ASP N N 13 116.410 116.410 117.760 -1.350 18171 6366 1 19 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.493 -0.068 18171 6367 1 19 . 1 1 13 13 ASP C C 13 178.456 178.456 178.526 -0.070 18171 6368 1 19 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.221 -0.412 18171 6369 1 19 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.797 -0.858 18171 6370 1 19 . 1 1 13 13 ASP H H 13 8.218 8.218 8.538 -0.320 18171 6371 1 19 . 1 1 14 14 VAL N N 14 120.053 120.053 120.309 -0.256 18171 6372 1 19 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.749 0.033 18171 6373 1 19 . 1 1 14 14 VAL C C 14 177.045 177.045 177.621 -0.576 18171 6374 1 19 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.491 -1.141 18171 6375 1 19 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.652 0.109 18171 6376 1 19 . 1 1 14 14 VAL H H 14 7.722 7.722 7.994 -0.272 18171 6377 1 19 . 1 1 15 15 ALA N N 15 121.814 121.814 122.768 -0.954 18171 6378 1 19 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.792 0.130 18171 6379 1 19 . 1 1 15 15 ALA C C 15 180.315 180.315 179.214 1.101 18171 6380 1 19 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.222 0.432 18171 6381 1 19 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.271 -0.094 18171 6382 1 19 . 1 1 15 15 ALA H H 15 8.245 8.245 7.479 0.766 18171 6383 1 19 . 1 1 16 16 MET N N 16 114.438 114.438 115.956 -1.518 18171 6384 1 19 . 1 1 16 16 MET HA H 16 4.234 4.234 4.365 -0.131 18171 6385 1 19 . 1 1 16 16 MET C C 16 178.930 178.930 178.948 -0.018 18171 6386 1 19 . 1 1 16 16 MET CA C 16 58.011 58.011 56.994 1.017 18171 6387 1 19 . 1 1 16 16 MET CB C 16 32.027 32.027 32.262 -0.235 18171 6388 1 19 . 1 1 16 16 MET H H 16 7.878 7.878 7.789 0.089 18171 6389 1 19 . 1 1 17 17 ALA N N 17 123.280 123.280 123.719 -0.439 18171 6390 1 19 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.192 -0.014 18171 6391 1 19 . 1 1 17 17 ALA C C 17 179.091 179.091 179.696 -0.605 18171 6392 1 19 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.978 -0.415 18171 6393 1 19 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.053 0.338 18171 6394 1 19 . 1 1 17 17 ALA H H 17 7.647 7.647 8.024 -0.377 18171 6395 1 19 . 1 1 18 18 PHE N N 18 114.808 114.808 116.150 -1.342 18171 6396 1 19 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.215 -0.097 18171 6397 1 19 . 1 1 18 18 PHE C C 18 175.169 175.169 176.572 -1.403 18171 6398 1 19 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.278 -0.844 18171 6399 1 19 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.619 0.424 18171 6400 1 19 . 1 1 18 18 PHE H H 18 8.032 8.032 8.526 -0.494 18171 6401 1 19 . 1 1 19 19 GLN N N 19 114.221 114.221 117.042 -2.821 18171 6402 1 19 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.327 -0.260 18171 6403 1 19 . 1 1 19 19 GLN C C 19 175.843 175.843 175.612 0.231 18171 6404 1 19 . 1 1 19 19 GLN CA C 19 56.147 56.147 56.041 0.106 18171 6405 1 19 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.925 -0.305 18171 6406 1 19 . 1 1 19 19 GLN H H 19 7.414 7.414 7.516 -0.102 18171 6407 1 19 . 1 1 20 20 ASN N N 20 119.994 119.994 119.472 0.522 18171 6408 1 19 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.204 -0.321 18171 6409 1 19 . 1 1 20 20 ASN C C 20 174.726 174.726 173.997 0.729 18171 6410 1 19 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.240 0.361 18171 6411 1 19 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.108 -0.852 18171 6412 1 19 . 1 1 20 20 ASN H H 20 7.497 7.497 7.953 -0.456 18171 6413 1 19 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.406 -0.217 18171 6414 1 19 . 1 1 21 21 PRO C C 21 178.747 178.747 178.537 0.210 18171 6415 1 19 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.690 -0.644 18171 6416 1 19 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.303 -0.182 18171 6417 1 19 . 1 1 22 22 ARG N N 22 117.899 117.899 118.986 -1.087 18171 6418 1 19 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.135 -0.042 18171 6419 1 19 . 1 1 22 22 ARG C C 22 178.827 178.827 178.454 0.373 18171 6420 1 19 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.813 0.173 18171 6421 1 19 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.223 1.208 18171 6422 1 19 . 1 1 22 22 ARG H H 22 8.066 8.066 8.673 -0.607 18171 6423 1 19 . 1 1 23 23 VAL N N 23 119.694 119.694 119.670 0.024 18171 6424 1 19 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.681 -0.297 18171 6425 1 19 . 1 1 23 23 VAL C C 23 177.319 177.319 177.773 -0.454 18171 6426 1 19 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.217 -0.469 18171 6427 1 19 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.016 0.505 18171 6428 1 19 . 1 1 23 23 VAL H H 23 7.199 7.199 7.470 -0.271 18171 6429 1 19 . 1 1 24 24 GLN N N 24 117.842 117.842 119.889 -2.047 18171 6430 1 19 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.741 -0.108 18171 6431 1 19 . 1 1 24 24 GLN C C 24 177.902 177.902 178.055 -0.153 18171 6432 1 19 . 1 1 24 24 GLN CA C 24 59.669 59.669 58.792 0.877 18171 6433 1 19 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.030 -0.010 18171 6434 1 19 . 1 1 24 24 GLN H H 24 7.790 7.790 8.169 -0.379 18171 6435 1 19 . 1 1 25 25 ALA N N 25 119.267 119.267 120.856 -1.589 18171 6436 1 19 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.007 0.039 18171 6437 1 19 . 1 1 25 25 ALA C C 25 179.854 179.854 178.774 1.080 18171 6438 1 19 . 1 1 25 25 ALA CA C 25 55.046 55.046 55.142 -0.096 18171 6439 1 19 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.221 -0.397 18171 6440 1 19 . 1 1 25 25 ALA H H 25 7.808 7.808 8.036 -0.228 18171 6441 1 19 . 1 1 26 26 ALA N N 26 120.738 120.738 121.934 -1.196 18171 6442 1 19 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.620 0.301 18171 6443 1 19 . 1 1 26 26 ALA C C 26 179.988 179.988 179.838 0.150 18171 6444 1 19 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.447 0.752 18171 6445 1 19 . 1 1 26 26 ALA CB C 26 18.171 18.171 17.863 0.308 18171 6446 1 19 . 1 1 26 26 ALA H H 26 7.500 7.500 7.081 0.419 18171 6447 1 19 . 1 1 27 27 LEU N N 27 118.511 118.511 119.049 -0.538 18171 6448 1 19 . 1 1 27 27 LEU HA H 27 3.913 3.913 3.999 -0.086 18171 6449 1 19 . 1 1 27 27 LEU C C 27 179.923 179.923 179.016 0.907 18171 6450 1 19 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.558 0.501 18171 6451 1 19 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.761 -0.833 18171 6452 1 19 . 1 1 27 27 LEU H H 27 8.324 8.324 8.430 -0.106 18171 6453 1 19 . 1 1 28 28 MET N N 28 118.681 118.681 118.854 -0.173 18171 6454 1 19 . 1 1 28 28 MET HA H 28 4.144 4.144 4.087 0.057 18171 6455 1 19 . 1 1 28 28 MET C C 28 179.635 179.635 178.327 1.308 18171 6456 1 19 . 1 1 28 28 MET CA C 28 58.734 58.734 57.680 1.054 18171 6457 1 19 . 1 1 28 28 MET CB C 28 31.901 31.901 32.458 -0.557 18171 6458 1 19 . 1 1 28 28 MET H H 28 8.127 8.127 8.376 -0.249 18171 6459 1 19 . 1 1 29 29 GLU N N 29 119.813 119.813 119.242 0.571 18171 6460 1 19 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.197 0.029 18171 6461 1 19 . 1 1 29 29 GLU C C 29 180.544 180.544 178.959 1.585 18171 6462 1 19 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.099 0.597 18171 6463 1 19 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.392 0.285 18171 6464 1 19 . 1 1 29 29 GLU H H 29 8.302 8.302 8.331 -0.029 18171 6465 1 19 . 1 1 30 30 CYS N N 30 118.465 118.465 118.006 0.459 18171 6466 1 19 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.104 0.349 18171 6467 1 19 . 1 1 30 30 CYS C C 30 175.357 175.357 175.467 -0.110 18171 6468 1 19 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.124 0.358 18171 6469 1 19 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.555 -0.765 18171 6470 1 19 . 1 1 30 30 CYS H H 30 8.465 8.465 8.128 0.337 18171 6471 1 19 . 1 1 31 31 SER N N 31 114.366 114.366 114.307 0.059 18171 6472 1 19 . 1 1 31 31 SER HA H 31 4.174 4.174 4.124 0.050 18171 6473 1 19 . 1 1 31 31 SER C C 31 175.371 175.371 176.058 -0.687 18171 6474 1 19 . 1 1 31 31 SER CA C 31 60.932 60.932 61.266 -0.334 18171 6475 1 19 . 1 1 31 31 SER CB C 31 62.749 62.749 62.973 -0.224 18171 6476 1 19 . 1 1 31 31 SER H H 31 7.859 7.859 7.524 0.335 18171 6477 1 19 . 1 1 32 32 GLU N N 32 119.996 119.996 120.070 -0.074 18171 6478 1 19 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.182 0.022 18171 6479 1 19 . 1 1 32 32 GLU C C 32 176.983 176.983 176.493 0.490 18171 6480 1 19 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.365 -0.393 18171 6481 1 19 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.293 -0.216 18171 6482 1 19 . 1 1 32 32 GLU H H 32 7.254 7.254 8.330 -1.076 18171 6483 1 19 . 1 1 33 33 ASN N N 33 113.026 113.026 110.617 2.409 18171 6484 1 19 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.902 0.071 18171 6485 1 19 . 1 1 33 33 ASN C C 33 173.504 173.504 172.932 0.572 18171 6486 1 19 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.055 -1.319 18171 6487 1 19 . 1 1 33 33 ASN CB C 33 39.485 39.485 37.064 2.421 18171 6488 1 19 . 1 1 33 33 ASN H H 33 7.370 7.370 7.630 -0.260 18171 6489 1 19 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.235 0.339 18171 6490 1 19 . 1 1 34 34 PRO C C 34 178.270 178.270 177.438 0.832 18171 6491 1 19 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.836 -0.009 18171 6492 1 19 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.840 -0.086 18171 6493 1 19 . 1 1 35 35 MET N N 35 115.258 115.258 116.215 -0.957 18171 6494 1 19 . 1 1 35 35 MET HA H 35 4.330 4.330 4.366 -0.036 18171 6495 1 19 . 1 1 35 35 MET C C 35 178.569 178.569 177.628 0.941 18171 6496 1 19 . 1 1 35 35 MET CA C 35 57.050 57.050 57.685 -0.635 18171 6497 1 19 . 1 1 35 35 MET CB C 35 31.300 31.300 31.830 -0.530 18171 6498 1 19 . 1 1 35 35 MET H H 35 7.962 7.962 7.932 0.030 18171 6499 1 19 . 1 1 36 36 ASN N N 36 117.357 117.357 119.467 -2.110 18171 6500 1 19 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.486 0.087 18171 6501 1 19 . 1 1 36 36 ASN C C 36 176.470 176.470 177.341 -0.871 18171 6502 1 19 . 1 1 36 36 ASN CA C 36 55.126 55.126 56.173 -1.047 18171 6503 1 19 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.301 0.141 18171 6504 1 19 . 1 1 36 36 ASN H H 36 8.462 8.462 8.560 -0.098 18171 6505 1 19 . 1 1 37 37 ILE N N 37 121.622 121.622 122.037 -0.415 18171 6506 1 19 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.752 0.358 18171 6507 1 19 . 1 1 37 37 ILE C C 37 177.331 177.331 176.677 0.654 18171 6508 1 19 . 1 1 37 37 ILE CA C 37 62.588 62.588 63.033 -0.445 18171 6509 1 19 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.707 0.308 18171 6510 1 19 . 1 1 37 37 ILE H H 37 7.820 7.820 7.338 0.482 18171 6511 1 19 . 1 1 38 38 MET N N 38 118.071 118.071 116.410 1.661 18171 6512 1 19 . 1 1 38 38 MET HA H 38 4.174 4.174 4.032 0.142 18171 6513 1 19 . 1 1 38 38 MET C C 38 178.456 178.456 177.944 0.512 18171 6514 1 19 . 1 1 38 38 MET CA C 38 57.563 57.563 58.449 -0.886 18171 6515 1 19 . 1 1 38 38 MET CB C 38 31.533 31.533 32.028 -0.495 18171 6516 1 19 . 1 1 38 38 MET H H 38 7.479 7.479 7.422 0.057 18171 6517 1 19 . 1 1 39 39 LYS N N 39 117.427 117.427 118.482 -1.055 18171 6518 1 19 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.071 -0.124 18171 6519 1 19 . 1 1 39 39 LYS C C 39 177.456 177.456 178.813 -1.357 18171 6520 1 19 . 1 1 39 39 LYS CA C 39 58.012 58.012 58.449 -0.437 18171 6521 1 19 . 1 1 39 39 LYS CB C 39 31.773 31.773 32.452 -0.679 18171 6522 1 19 . 1 1 39 39 LYS H H 39 7.580 7.580 7.893 -0.313 18171 6523 1 19 . 1 1 40 40 TYR N N 40 116.049 116.049 117.200 -1.151 18171 6524 1 19 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.534 -0.004 18171 6525 1 19 . 1 1 40 40 TYR C C 40 175.635 175.635 178.206 -2.571 18171 6526 1 19 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.797 -0.399 18171 6527 1 19 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.757 2.733 18171 6528 1 19 . 1 1 40 40 TYR H H 40 7.651 7.651 7.613 0.038 18171 6529 1 19 . 1 1 41 41 GLN N N 41 116.626 116.626 120.285 -3.659 18171 6530 1 19 . 1 1 41 41 GLN HA H 41 4.333 4.333 4.000 0.333 18171 6531 1 19 . 1 1 41 41 GLN C C 41 175.887 175.887 176.622 -0.735 18171 6532 1 19 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.221 0.365 18171 6533 1 19 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.353 1.694 18171 6534 1 19 . 1 1 41 41 GLN H H 41 7.001 7.001 7.783 -0.782 18171 6535 1 19 . 1 1 42 42 ASN N N 42 114.491 114.491 114.765 -0.274 18171 6536 1 19 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.588 0.274 18171 6537 1 19 . 1 1 42 42 ASN C C 42 173.784 173.784 175.909 -2.125 18171 6538 1 19 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.606 -1.074 18171 6539 1 19 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.452 0.136 18171 6540 1 19 . 1 1 42 42 ASN H H 42 8.281 8.281 7.658 0.623 18171 6541 1 19 . 1 1 43 43 ASP N N 43 122.981 122.981 121.940 1.041 18171 6542 1 19 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.739 0.016 18171 6543 1 19 . 1 1 43 43 ASP C C 43 174.773 174.773 176.156 -1.383 18171 6544 1 19 . 1 1 43 43 ASP CA C 43 52.607 52.607 52.827 -0.220 18171 6545 1 19 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.691 0.678 18171 6546 1 19 . 1 1 43 43 ASP H H 43 7.960 7.960 8.181 -0.221 18171 6547 1 19 . 1 1 44 44 LYS N N 44 125.893 125.893 126.735 -0.842 18171 6548 1 19 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.886 -0.026 18171 6549 1 19 . 1 1 44 44 LYS C C 44 177.796 177.796 178.168 -0.372 18171 6550 1 19 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.495 0.302 18171 6551 1 19 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.574 -0.038 18171 6552 1 19 . 1 1 44 44 LYS H H 44 8.361 8.361 7.923 0.438 18171 6553 1 19 . 1 1 45 45 GLU N N 45 116.698 116.698 118.869 -2.171 18171 6554 1 19 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.124 -0.057 18171 6555 1 19 . 1 1 45 45 GLU C C 45 178.724 178.724 178.817 -0.093 18171 6556 1 19 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.344 0.111 18171 6557 1 19 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.176 0.581 18171 6558 1 19 . 1 1 45 45 GLU H H 45 8.127 8.127 7.900 0.227 18171 6559 1 19 . 1 1 46 46 VAL N N 46 117.476 117.476 120.189 -2.713 18171 6560 1 19 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.708 -0.294 18171 6561 1 19 . 1 1 46 46 VAL C C 46 177.879 177.879 178.318 -0.439 18171 6562 1 19 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.419 0.011 18171 6563 1 19 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.396 0.632 18171 6564 1 19 . 1 1 46 46 VAL H H 46 7.452 7.452 7.836 -0.384 18171 6565 1 19 . 1 1 47 47 MET N N 47 117.027 117.027 118.853 -1.826 18171 6566 1 19 . 1 1 47 47 MET HA H 47 4.479 4.479 4.155 0.324 18171 6567 1 19 . 1 1 47 47 MET C C 47 179.307 179.307 178.804 0.503 18171 6568 1 19 . 1 1 47 47 MET CA C 47 56.809 56.809 58.114 -1.305 18171 6569 1 19 . 1 1 47 47 MET CB C 47 30.371 30.371 30.945 -0.574 18171 6570 1 19 . 1 1 47 47 MET H H 47 8.542 8.542 8.116 0.426 18171 6571 1 19 . 1 1 48 48 ASP N N 48 119.811 119.811 120.691 -0.880 18171 6572 1 19 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.426 0.066 18171 6573 1 19 . 1 1 48 48 ASP C C 48 179.136 179.136 179.150 -0.014 18171 6574 1 19 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.724 -0.153 18171 6575 1 19 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.594 -0.141 18171 6576 1 19 . 1 1 48 48 ASP H H 48 8.580 8.580 8.062 0.518 18171 6577 1 19 . 1 1 49 49 VAL N N 49 118.816 118.816 120.213 -1.397 18171 6578 1 19 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.807 -0.169 18171 6579 1 19 . 1 1 49 49 VAL C C 49 177.777 177.777 177.154 0.623 18171 6580 1 19 . 1 1 49 49 VAL CA C 49 66.457 66.457 65.110 1.347 18171 6581 1 19 . 1 1 49 49 VAL CB C 49 31.066 31.066 32.081 -1.016 18171 6582 1 19 . 1 1 49 49 VAL H H 49 7.319 7.319 7.590 -0.271 18171 6583 1 19 . 1 1 50 50 PHE N N 50 120.305 120.305 119.820 0.485 18171 6584 1 19 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.233 -0.097 18171 6585 1 19 . 1 1 50 50 PHE C C 50 178.505 178.505 177.314 1.191 18171 6586 1 19 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.212 -0.672 18171 6587 1 19 . 1 1 50 50 PHE CB C 50 38.309 38.309 39.154 -0.845 18171 6588 1 19 . 1 1 50 50 PHE H H 50 8.529 8.529 8.967 -0.438 18171 6589 1 19 . 1 1 51 51 ASN N N 51 117.888 117.888 117.522 0.366 18171 6590 1 19 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.494 -0.079 18171 6591 1 19 . 1 1 51 51 ASN C C 51 177.863 177.863 176.936 0.927 18171 6592 1 19 . 1 1 51 51 ASN CA C 51 56.168 56.168 56.121 0.047 18171 6593 1 19 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.591 -0.282 18171 6594 1 19 . 1 1 51 51 ASN H H 51 8.886 8.886 8.658 0.228 18171 6595 1 19 . 1 1 52 52 LYS N N 52 120.120 120.120 122.051 -1.931 18171 6596 1 19 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.210 -0.100 18171 6597 1 19 . 1 1 52 52 LYS C C 52 179.002 179.002 178.479 0.523 18171 6598 1 19 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.292 -0.318 18171 6599 1 19 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.706 -0.651 18171 6600 1 19 . 1 1 52 52 LYS H H 52 7.760 7.760 7.520 0.240 18171 6601 1 19 . 1 1 53 53 ILE N N 53 117.988 117.988 119.263 -1.275 18171 6602 1 19 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.463 0.294 18171 6603 1 19 . 1 1 53 53 ILE C C 53 177.686 177.686 176.695 0.991 18171 6604 1 19 . 1 1 53 53 ILE CA C 53 65.041 65.041 63.816 1.225 18171 6605 1 19 . 1 1 53 53 ILE CB C 53 37.667 37.667 36.595 1.072 18171 6606 1 19 . 1 1 53 53 ILE H H 53 8.400 8.400 8.128 0.272 18171 6607 1 19 . 1 1 54 54 SER N N 54 114.267 114.267 112.524 1.743 18171 6608 1 19 . 1 1 54 54 SER HA H 54 4.050 4.050 4.241 -0.191 18171 6609 1 19 . 1 1 54 54 SER C C 54 175.690 175.690 175.775 -0.085 18171 6610 1 19 . 1 1 54 54 SER CA C 54 61.417 61.417 60.237 1.180 18171 6611 1 19 . 1 1 54 54 SER CB C 54 62.922 62.922 63.849 -0.927 18171 6612 1 19 . 1 1 54 54 SER H H 54 8.042 8.042 7.661 0.381 18171 6613 1 19 . 1 1 55 55 GLN N N 55 118.045 118.045 120.175 -2.130 18171 6614 1 19 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.238 -0.098 18171 6615 1 19 . 1 1 55 55 GLN C C 55 177.193 177.193 178.157 -0.964 18171 6616 1 19 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.295 -1.213 18171 6617 1 19 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.352 -0.632 18171 6618 1 19 . 1 1 55 55 GLN H H 55 7.415 7.415 7.556 -0.141 18171 6619 1 19 . 1 1 56 56 LEU N N 56 118.492 118.492 119.222 -0.730 18171 6620 1 19 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.157 -0.124 18171 6621 1 19 . 1 1 56 56 LEU C C 56 176.578 176.578 175.981 0.597 18171 6622 1 19 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.323 -0.418 18171 6623 1 19 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.484 0.065 18171 6624 1 19 . 1 1 56 56 LEU H H 56 7.732 7.732 8.104 -0.372 18171 6625 1 19 . 1 1 57 57 PHE N N 57 116.774 116.774 116.073 0.701 18171 6626 1 19 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.881 0.011 18171 6627 1 19 . 1 1 57 57 PHE C C 57 173.125 173.125 175.020 -1.895 18171 6628 1 19 . 1 1 57 57 PHE CA C 57 55.211 55.211 54.089 1.122 18171 6629 1 19 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.675 0.348 18171 6630 1 19 . 1 1 57 57 PHE H H 57 7.629 7.629 7.955 -0.326 18171 6631 1 19 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.559 -0.079 18171 6632 1 19 . 1 1 58 58 PRO C C 58 178.090 178.090 177.152 0.938 18171 6633 1 19 . 1 1 58 58 PRO CA C 58 63.972 63.972 62.727 1.246 18171 6634 1 19 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.693 0.234 18171 6635 1 19 . 1 1 59 59 GLY N N 59 108.335 108.335 108.451 -0.116 18171 6636 1 19 . 1 1 59 59 GLY C C 59 174.930 174.930 174.703 0.227 18171 6637 1 19 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.486 -0.102 18171 6638 1 19 . 1 1 59 59 GLY H H 59 8.411 8.411 7.766 0.645 18171 6639 1 19 . 1 1 60 60 MET N N 60 119.206 119.206 118.368 0.838 18171 6640 1 19 . 1 1 60 60 MET HA H 60 4.467 4.467 4.279 0.188 18171 6641 1 19 . 1 1 60 60 MET C C 60 176.320 176.320 176.530 -0.210 18171 6642 1 19 . 1 1 60 60 MET CA C 60 56.395 56.395 56.941 -0.546 18171 6643 1 19 . 1 1 60 60 MET CB C 60 32.964 32.964 32.628 0.336 18171 6644 1 19 . 1 1 60 60 MET H H 60 8.053 8.053 8.094 -0.041 18171 6645 1 19 . 1 1 61 61 THR N N 61 111.041 111.041 113.450 -2.409 18171 6646 1 19 . 1 1 61 61 THR HA H 61 4.402 4.402 4.263 0.139 18171 6647 1 19 . 1 1 61 61 THR C C 61 173.976 173.976 175.788 -1.812 18171 6648 1 19 . 1 1 61 61 THR CA C 61 61.233 61.233 62.139 -0.906 18171 6649 1 19 . 1 1 61 61 THR CB C 61 70.120 70.120 69.242 0.878 18171 6650 1 19 . 1 1 61 61 THR H H 61 7.880 7.880 7.631 0.249 18171 6651 1 20 . 1 1 2 2 GLU N N 2 115.081 115.081 121.152 -6.071 18171 6652 1 20 . 1 1 2 2 GLU HA H 2 3.860 3.860 3.993 -0.133 18171 6653 1 20 . 1 1 2 2 GLU C C 2 179.259 179.259 178.212 1.047 18171 6654 1 20 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.429 0.931 18171 6655 1 20 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.245 -0.519 18171 6656 1 20 . 1 1 2 2 GLU H H 2 8.756 8.756 9.047 -0.291 18171 6657 1 20 . 1 1 3 3 GLU N N 3 120.051 120.051 119.652 0.399 18171 6658 1 20 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.096 -0.080 18171 6659 1 20 . 1 1 3 3 GLU C C 3 178.863 178.863 178.731 0.132 18171 6660 1 20 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.060 -0.054 18171 6661 1 20 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.090 1.275 18171 6662 1 20 . 1 1 3 3 GLU H H 3 7.722 7.722 8.480 -0.758 18171 6663 1 20 . 1 1 4 4 VAL N N 4 120.223 120.223 119.524 0.699 18171 6664 1 20 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.602 -0.093 18171 6665 1 20 . 1 1 4 4 VAL C C 4 177.687 177.687 177.804 -0.117 18171 6666 1 20 . 1 1 4 4 VAL CA C 4 66.667 66.667 66.130 0.537 18171 6667 1 20 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.149 0.392 18171 6668 1 20 . 1 1 4 4 VAL H H 4 7.815 7.815 7.843 -0.028 18171 6669 1 20 . 1 1 5 5 ILE N N 5 118.475 118.475 117.689 0.786 18171 6670 1 20 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.697 -0.197 18171 6671 1 20 . 1 1 5 5 ILE C C 5 177.638 177.638 178.242 -0.604 18171 6672 1 20 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.533 -0.172 18171 6673 1 20 . 1 1 5 5 ILE CB C 5 37.136 37.136 36.318 0.818 18171 6674 1 20 . 1 1 5 5 ILE H H 5 8.293 8.293 8.136 0.157 18171 6675 1 20 . 1 1 6 6 SER N N 6 113.327 113.327 114.309 -0.982 18171 6676 1 20 . 1 1 6 6 SER HA H 6 4.034 4.034 4.239 -0.205 18171 6677 1 20 . 1 1 6 6 SER C C 6 176.398 176.398 176.313 0.085 18171 6678 1 20 . 1 1 6 6 SER CA C 6 61.781 61.781 61.397 0.384 18171 6679 1 20 . 1 1 6 6 SER CB C 6 62.770 62.770 62.876 -0.106 18171 6680 1 20 . 1 1 6 6 SER H H 6 7.740 7.740 8.017 -0.277 18171 6681 1 20 . 1 1 7 7 LYS N N 7 119.755 119.755 121.813 -2.058 18171 6682 1 20 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.113 0.030 18171 6683 1 20 . 1 1 7 7 LYS C C 7 179.622 179.622 178.893 0.729 18171 6684 1 20 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.492 -0.486 18171 6685 1 20 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.818 -0.076 18171 6686 1 20 . 1 1 7 7 LYS H H 7 7.523 7.523 7.845 -0.322 18171 6687 1 20 . 1 1 8 8 ILE N N 8 119.544 119.544 120.803 -1.259 18171 6688 1 20 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.695 -0.052 18171 6689 1 20 . 1 1 8 8 ILE C C 8 177.510 177.510 177.446 0.064 18171 6690 1 20 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.480 1.700 18171 6691 1 20 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.332 1.129 18171 6692 1 20 . 1 1 8 8 ILE H H 8 8.132 8.132 7.618 0.514 18171 6693 1 20 . 1 1 9 9 MET N N 9 114.616 114.616 116.564 -1.948 18171 6694 1 20 . 1 1 9 9 MET HA H 9 4.104 4.104 4.110 -0.006 18171 6695 1 20 . 1 1 9 9 MET C C 9 177.018 177.018 177.402 -0.384 18171 6696 1 20 . 1 1 9 9 MET CA C 9 56.601 56.601 56.487 0.114 18171 6697 1 20 . 1 1 9 9 MET CB C 9 31.479 31.479 30.758 0.721 18171 6698 1 20 . 1 1 9 9 MET H H 9 7.835 7.835 7.668 0.167 18171 6699 1 20 . 1 1 10 10 GLU N N 10 116.206 116.206 119.324 -3.118 18171 6700 1 20 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.074 0.078 18171 6701 1 20 . 1 1 10 10 GLU C C 10 176.263 176.263 177.036 -0.773 18171 6702 1 20 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.764 -0.681 18171 6703 1 20 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.826 0.184 18171 6704 1 20 . 1 1 10 10 GLU H H 10 7.318 7.318 7.863 -0.545 18171 6705 1 20 . 1 1 11 11 ASN N N 11 119.007 119.007 116.706 2.301 18171 6706 1 20 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.101 0.040 18171 6707 1 20 . 1 1 11 11 ASN C C 11 173.093 173.093 173.299 -0.206 18171 6708 1 20 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.712 -0.003 18171 6709 1 20 . 1 1 11 11 ASN CB C 11 40.100 40.100 40.232 -0.132 18171 6710 1 20 . 1 1 11 11 ASN H H 11 7.707 7.707 7.987 -0.280 18171 6711 1 20 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.079 0.204 18171 6712 1 20 . 1 1 12 12 PRO C C 12 177.932 177.932 177.272 0.660 18171 6713 1 20 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.217 0.011 18171 6714 1 20 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.953 0.055 18171 6715 1 20 . 1 1 13 13 ASP N N 13 116.410 116.410 117.257 -0.847 18171 6716 1 20 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.487 -0.062 18171 6717 1 20 . 1 1 13 13 ASP C C 13 178.456 178.456 178.493 -0.037 18171 6718 1 20 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.215 -0.406 18171 6719 1 20 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.675 -0.736 18171 6720 1 20 . 1 1 13 13 ASP H H 13 8.218 8.218 8.434 -0.216 18171 6721 1 20 . 1 1 14 14 VAL N N 14 120.053 120.053 120.776 -0.723 18171 6722 1 20 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.804 -0.022 18171 6723 1 20 . 1 1 14 14 VAL C C 14 177.045 177.045 177.656 -0.611 18171 6724 1 20 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.750 -1.400 18171 6725 1 20 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.392 0.369 18171 6726 1 20 . 1 1 14 14 VAL H H 14 7.722 7.722 8.113 -0.391 18171 6727 1 20 . 1 1 15 15 ALA N N 15 121.814 121.814 122.416 -0.602 18171 6728 1 20 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.799 0.123 18171 6729 1 20 . 1 1 15 15 ALA C C 15 180.315 180.315 179.282 1.033 18171 6730 1 20 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.094 0.559 18171 6731 1 20 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.227 -0.050 18171 6732 1 20 . 1 1 15 15 ALA H H 15 8.245 8.245 7.519 0.726 18171 6733 1 20 . 1 1 16 16 MET N N 16 114.438 114.438 118.150 -3.712 18171 6734 1 20 . 1 1 16 16 MET HA H 16 4.234 4.234 4.284 -0.050 18171 6735 1 20 . 1 1 16 16 MET C C 16 178.930 178.930 178.622 0.308 18171 6736 1 20 . 1 1 16 16 MET CA C 16 58.011 58.011 57.056 0.955 18171 6737 1 20 . 1 1 16 16 MET CB C 16 32.027 32.027 32.670 -0.643 18171 6738 1 20 . 1 1 16 16 MET H H 16 7.878 7.878 7.721 0.157 18171 6739 1 20 . 1 1 17 17 ALA N N 17 123.280 123.280 123.277 0.003 18171 6740 1 20 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.188 -0.010 18171 6741 1 20 . 1 1 17 17 ALA C C 17 179.091 179.091 179.777 -0.686 18171 6742 1 20 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.905 -0.342 18171 6743 1 20 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.001 0.390 18171 6744 1 20 . 1 1 17 17 ALA H H 17 7.647 7.647 8.229 -0.582 18171 6745 1 20 . 1 1 18 18 PHE N N 18 114.808 114.808 116.233 -1.425 18171 6746 1 20 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.267 -0.149 18171 6747 1 20 . 1 1 18 18 PHE C C 18 175.169 175.169 176.600 -1.431 18171 6748 1 20 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.421 -0.987 18171 6749 1 20 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.738 0.305 18171 6750 1 20 . 1 1 18 18 PHE H H 18 8.032 8.032 8.601 -0.569 18171 6751 1 20 . 1 1 19 19 GLN N N 19 114.221 114.221 117.007 -2.786 18171 6752 1 20 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.358 -0.291 18171 6753 1 20 . 1 1 19 19 GLN C C 19 175.843 175.843 175.458 0.385 18171 6754 1 20 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.528 0.619 18171 6755 1 20 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.722 -0.102 18171 6756 1 20 . 1 1 19 19 GLN H H 19 7.414 7.414 7.604 -0.190 18171 6757 1 20 . 1 1 20 20 ASN N N 20 119.994 119.994 119.429 0.565 18171 6758 1 20 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.186 -0.303 18171 6759 1 20 . 1 1 20 20 ASN C C 20 174.726 174.726 174.014 0.712 18171 6760 1 20 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.333 0.268 18171 6761 1 20 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.401 -1.144 18171 6762 1 20 . 1 1 20 20 ASN H H 20 7.497 7.497 7.857 -0.360 18171 6763 1 20 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.342 -0.153 18171 6764 1 20 . 1 1 21 21 PRO C C 21 178.747 178.747 178.534 0.213 18171 6765 1 20 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.455 -0.409 18171 6766 1 20 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.273 -0.152 18171 6767 1 20 . 1 1 22 22 ARG N N 22 117.899 117.899 118.624 -0.725 18171 6768 1 20 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.061 0.032 18171 6769 1 20 . 1 1 22 22 ARG C C 22 178.827 178.827 178.752 0.075 18171 6770 1 20 . 1 1 22 22 ARG CA C 22 58.986 58.986 59.151 -0.166 18171 6771 1 20 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.435 0.996 18171 6772 1 20 . 1 1 22 22 ARG H H 22 8.066 8.066 8.124 -0.058 18171 6773 1 20 . 1 1 23 23 VAL N N 23 119.694 119.694 120.102 -0.408 18171 6774 1 20 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.664 -0.280 18171 6775 1 20 . 1 1 23 23 VAL C C 23 177.319 177.319 177.763 -0.444 18171 6776 1 20 . 1 1 23 23 VAL CA C 23 65.748 65.748 65.928 -0.180 18171 6777 1 20 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.075 0.446 18171 6778 1 20 . 1 1 23 23 VAL H H 23 7.199 7.199 7.904 -0.705 18171 6779 1 20 . 1 1 24 24 GLN N N 24 117.842 117.842 119.007 -1.165 18171 6780 1 20 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.791 -0.158 18171 6781 1 20 . 1 1 24 24 GLN C C 24 177.902 177.902 178.320 -0.418 18171 6782 1 20 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.259 0.410 18171 6783 1 20 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.249 -0.229 18171 6784 1 20 . 1 1 24 24 GLN H H 24 7.790 7.790 8.029 -0.239 18171 6785 1 20 . 1 1 25 25 ALA N N 25 119.267 119.267 120.854 -1.587 18171 6786 1 20 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.109 -0.063 18171 6787 1 20 . 1 1 25 25 ALA C C 25 179.854 179.854 179.009 0.845 18171 6788 1 20 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.663 0.383 18171 6789 1 20 . 1 1 25 25 ALA CB C 25 17.824 17.824 17.978 -0.154 18171 6790 1 20 . 1 1 25 25 ALA H H 25 7.808 7.808 8.008 -0.200 18171 6791 1 20 . 1 1 26 26 ALA N N 26 120.738 120.738 122.119 -1.381 18171 6792 1 20 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.692 0.229 18171 6793 1 20 . 1 1 26 26 ALA C C 26 179.988 179.988 179.809 0.179 18171 6794 1 20 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.541 0.659 18171 6795 1 20 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.029 0.142 18171 6796 1 20 . 1 1 26 26 ALA H H 26 7.500 7.500 7.579 -0.079 18171 6797 1 20 . 1 1 27 27 LEU N N 27 118.511 118.511 119.914 -1.403 18171 6798 1 20 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.126 -0.213 18171 6799 1 20 . 1 1 27 27 LEU C C 27 179.923 179.923 178.796 1.127 18171 6800 1 20 . 1 1 27 27 LEU CA C 27 58.059 58.059 58.198 -0.139 18171 6801 1 20 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.742 -0.814 18171 6802 1 20 . 1 1 27 27 LEU H H 27 8.324 8.324 8.045 0.279 18171 6803 1 20 . 1 1 28 28 MET N N 28 118.681 118.681 118.865 -0.184 18171 6804 1 20 . 1 1 28 28 MET HA H 28 4.144 4.144 3.927 0.217 18171 6805 1 20 . 1 1 28 28 MET C C 28 179.635 179.635 178.119 1.516 18171 6806 1 20 . 1 1 28 28 MET CA C 28 58.734 58.734 59.479 -0.745 18171 6807 1 20 . 1 1 28 28 MET CB C 28 31.901 31.901 32.586 -0.685 18171 6808 1 20 . 1 1 28 28 MET H H 28 8.127 8.127 8.469 -0.342 18171 6809 1 20 . 1 1 29 29 GLU N N 29 119.813 119.813 119.266 0.547 18171 6810 1 20 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.090 0.136 18171 6811 1 20 . 1 1 29 29 GLU C C 29 180.544 180.544 179.365 1.179 18171 6812 1 20 . 1 1 29 29 GLU CA C 29 59.696 59.696 59.153 0.543 18171 6813 1 20 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.733 -0.056 18171 6814 1 20 . 1 1 29 29 GLU H H 29 8.302 8.302 8.475 -0.173 18171 6815 1 20 . 1 1 30 30 CYS N N 30 118.465 118.465 119.719 -1.254 18171 6816 1 20 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.497 -0.044 18171 6817 1 20 . 1 1 30 30 CYS C C 30 175.357 175.357 176.124 -0.767 18171 6818 1 20 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.041 0.441 18171 6819 1 20 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.481 -0.691 18171 6820 1 20 . 1 1 30 30 CYS H H 30 8.465 8.465 8.238 0.227 18171 6821 1 20 . 1 1 31 31 SER N N 31 114.366 114.366 114.495 -0.129 18171 6822 1 20 . 1 1 31 31 SER HA H 31 4.174 4.174 4.223 -0.049 18171 6823 1 20 . 1 1 31 31 SER C C 31 175.371 175.371 176.245 -0.874 18171 6824 1 20 . 1 1 31 31 SER CA C 31 60.932 60.932 61.148 -0.216 18171 6825 1 20 . 1 1 31 31 SER CB C 31 62.749 62.749 62.935 -0.186 18171 6826 1 20 . 1 1 31 31 SER H H 31 7.859 7.859 7.799 0.060 18171 6827 1 20 . 1 1 32 32 GLU N N 32 119.996 119.996 121.484 -1.488 18171 6828 1 20 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.283 -0.079 18171 6829 1 20 . 1 1 32 32 GLU C C 32 176.983 176.983 176.549 0.434 18171 6830 1 20 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.178 -0.206 18171 6831 1 20 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.432 -0.355 18171 6832 1 20 . 1 1 32 32 GLU H H 32 7.254 7.254 8.118 -0.864 18171 6833 1 20 . 1 1 33 33 ASN N N 33 113.026 113.026 112.346 0.680 18171 6834 1 20 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.933 0.040 18171 6835 1 20 . 1 1 33 33 ASN C C 33 173.504 173.504 172.824 0.680 18171 6836 1 20 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.007 -1.271 18171 6837 1 20 . 1 1 33 33 ASN CB C 33 39.485 39.485 36.718 2.767 18171 6838 1 20 . 1 1 33 33 ASN H H 33 7.370 7.370 7.669 -0.299 18171 6839 1 20 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.341 0.233 18171 6840 1 20 . 1 1 34 34 PRO C C 34 178.270 178.270 177.618 0.652 18171 6841 1 20 . 1 1 34 34 PRO CA C 34 64.827 64.827 65.059 -0.232 18171 6842 1 20 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.852 -0.098 18171 6843 1 20 . 1 1 35 35 MET N N 35 115.258 115.258 113.276 1.982 18171 6844 1 20 . 1 1 35 35 MET HA H 35 4.330 4.330 4.200 0.130 18171 6845 1 20 . 1 1 35 35 MET C C 35 178.569 178.569 176.594 1.975 18171 6846 1 20 . 1 1 35 35 MET CA C 35 57.050 57.050 57.644 -0.594 18171 6847 1 20 . 1 1 35 35 MET CB C 35 31.300 31.300 31.369 -0.069 18171 6848 1 20 . 1 1 35 35 MET H H 35 7.962 7.962 8.110 -0.148 18171 6849 1 20 . 1 1 36 36 ASN N N 36 117.357 117.357 116.866 0.491 18171 6850 1 20 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.642 -0.069 18171 6851 1 20 . 1 1 36 36 ASN C C 36 176.470 176.470 177.029 -0.559 18171 6852 1 20 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.367 -0.241 18171 6853 1 20 . 1 1 36 36 ASN CB C 36 38.442 38.442 38.094 0.348 18171 6854 1 20 . 1 1 36 36 ASN H H 36 8.462 8.462 8.089 0.373 18171 6855 1 20 . 1 1 37 37 ILE N N 37 121.622 121.622 122.296 -0.674 18171 6856 1 20 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.798 0.312 18171 6857 1 20 . 1 1 37 37 ILE C C 37 177.331 177.331 176.876 0.455 18171 6858 1 20 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.585 0.003 18171 6859 1 20 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.855 0.160 18171 6860 1 20 . 1 1 37 37 ILE H H 37 7.820 7.820 7.451 0.369 18171 6861 1 20 . 1 1 38 38 MET N N 38 118.071 118.071 116.833 1.238 18171 6862 1 20 . 1 1 38 38 MET HA H 38 4.174 4.174 4.318 -0.144 18171 6863 1 20 . 1 1 38 38 MET C C 38 178.456 178.456 176.830 1.626 18171 6864 1 20 . 1 1 38 38 MET CA C 38 57.563 57.563 57.694 -0.131 18171 6865 1 20 . 1 1 38 38 MET CB C 38 31.533 31.533 31.996 -0.463 18171 6866 1 20 . 1 1 38 38 MET H H 38 7.479 7.479 7.530 -0.051 18171 6867 1 20 . 1 1 39 39 LYS N N 39 117.427 117.427 117.541 -0.114 18171 6868 1 20 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.246 -0.299 18171 6869 1 20 . 1 1 39 39 LYS C C 39 177.456 177.456 178.018 -0.562 18171 6870 1 20 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.164 0.848 18171 6871 1 20 . 1 1 39 39 LYS CB C 39 31.773 31.773 34.439 -2.666 18171 6872 1 20 . 1 1 39 39 LYS H H 39 7.580 7.580 7.715 -0.135 18171 6873 1 20 . 1 1 40 40 TYR N N 40 116.049 116.049 120.317 -4.268 18171 6874 1 20 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.618 -0.088 18171 6875 1 20 . 1 1 40 40 TYR C C 40 175.635 175.635 178.406 -2.771 18171 6876 1 20 . 1 1 40 40 TYR CA C 40 58.398 58.398 59.284 -0.886 18171 6877 1 20 . 1 1 40 40 TYR CB C 40 39.490 39.490 37.041 2.449 18171 6878 1 20 . 1 1 40 40 TYR H H 40 7.651 7.651 7.621 0.030 18171 6879 1 20 . 1 1 41 41 GLN N N 41 116.626 116.626 119.226 -2.600 18171 6880 1 20 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.949 0.384 18171 6881 1 20 . 1 1 41 41 GLN C C 41 175.887 175.887 176.788 -0.901 18171 6882 1 20 . 1 1 41 41 GLN CA C 41 58.586 58.586 59.006 -0.420 18171 6883 1 20 . 1 1 41 41 GLN CB C 41 29.047 29.047 28.376 0.671 18171 6884 1 20 . 1 1 41 41 GLN H H 41 7.001 7.001 7.685 -0.684 18171 6885 1 20 . 1 1 42 42 ASN N N 42 114.491 114.491 113.985 0.506 18171 6886 1 20 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.635 0.227 18171 6887 1 20 . 1 1 42 42 ASN C C 42 173.784 173.784 175.599 -1.815 18171 6888 1 20 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.290 -0.758 18171 6889 1 20 . 1 1 42 42 ASN CB C 42 38.588 38.588 38.667 -0.079 18171 6890 1 20 . 1 1 42 42 ASN H H 42 8.281 8.281 7.570 0.711 18171 6891 1 20 . 1 1 43 43 ASP N N 43 122.981 122.981 122.092 0.889 18171 6892 1 20 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.726 0.029 18171 6893 1 20 . 1 1 43 43 ASP C C 43 174.773 174.773 176.316 -1.543 18171 6894 1 20 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.224 -0.617 18171 6895 1 20 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.724 0.645 18171 6896 1 20 . 1 1 43 43 ASP H H 43 7.960 7.960 8.160 -0.200 18171 6897 1 20 . 1 1 44 44 LYS N N 44 125.893 125.893 125.820 0.073 18171 6898 1 20 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.907 -0.047 18171 6899 1 20 . 1 1 44 44 LYS C C 44 177.796 177.796 178.497 -0.701 18171 6900 1 20 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.522 0.274 18171 6901 1 20 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.395 0.141 18171 6902 1 20 . 1 1 44 44 LYS H H 44 8.361 8.361 8.115 0.246 18171 6903 1 20 . 1 1 45 45 GLU N N 45 116.698 116.698 119.762 -3.064 18171 6904 1 20 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.123 -0.056 18171 6905 1 20 . 1 1 45 45 GLU C C 45 178.724 178.724 178.812 -0.088 18171 6906 1 20 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.647 -0.192 18171 6907 1 20 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.644 0.113 18171 6908 1 20 . 1 1 45 45 GLU H H 45 8.127 8.127 8.163 -0.036 18171 6909 1 20 . 1 1 46 46 VAL N N 46 117.476 117.476 119.521 -2.045 18171 6910 1 20 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.767 -0.353 18171 6911 1 20 . 1 1 46 46 VAL C C 46 177.879 177.879 178.186 -0.307 18171 6912 1 20 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.173 0.257 18171 6913 1 20 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.459 0.569 18171 6914 1 20 . 1 1 46 46 VAL H H 46 7.452 7.452 7.772 -0.320 18171 6915 1 20 . 1 1 47 47 MET N N 47 117.027 117.027 119.739 -2.712 18171 6916 1 20 . 1 1 47 47 MET HA H 47 4.479 4.479 4.213 0.266 18171 6917 1 20 . 1 1 47 47 MET C C 47 179.307 179.307 177.947 1.360 18171 6918 1 20 . 1 1 47 47 MET CA C 47 56.809 56.809 58.856 -2.047 18171 6919 1 20 . 1 1 47 47 MET CB C 47 30.371 30.371 31.694 -1.323 18171 6920 1 20 . 1 1 47 47 MET H H 47 8.542 8.542 8.541 0.000 18171 6921 1 20 . 1 1 48 48 ASP N N 48 119.811 119.811 120.046 -0.235 18171 6922 1 20 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.441 0.051 18171 6923 1 20 . 1 1 48 48 ASP C C 48 179.136 179.136 178.848 0.288 18171 6924 1 20 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.584 -0.013 18171 6925 1 20 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.911 -0.458 18171 6926 1 20 . 1 1 48 48 ASP H H 48 8.580 8.580 7.854 0.726 18171 6927 1 20 . 1 1 49 49 VAL N N 49 118.816 118.816 119.723 -0.907 18171 6928 1 20 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.761 -0.123 18171 6929 1 20 . 1 1 49 49 VAL C C 49 177.777 177.777 177.896 -0.119 18171 6930 1 20 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.506 -0.049 18171 6931 1 20 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.771 -0.705 18171 6932 1 20 . 1 1 49 49 VAL H H 49 7.319 7.319 7.506 -0.187 18171 6933 1 20 . 1 1 50 50 PHE N N 50 120.305 120.305 119.512 0.793 18171 6934 1 20 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.213 -0.077 18171 6935 1 20 . 1 1 50 50 PHE C C 50 178.505 178.505 178.149 0.356 18171 6936 1 20 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.438 -0.898 18171 6937 1 20 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.556 -0.247 18171 6938 1 20 . 1 1 50 50 PHE H H 50 8.529 8.529 9.278 -0.749 18171 6939 1 20 . 1 1 51 51 ASN N N 51 117.888 117.888 117.424 0.464 18171 6940 1 20 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.577 -0.162 18171 6941 1 20 . 1 1 51 51 ASN C C 51 177.863 177.863 177.118 0.745 18171 6942 1 20 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.653 0.515 18171 6943 1 20 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.440 -0.131 18171 6944 1 20 . 1 1 51 51 ASN H H 51 8.886 8.886 8.623 0.263 18171 6945 1 20 . 1 1 52 52 LYS N N 52 120.120 120.120 120.999 -0.879 18171 6946 1 20 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.032 0.078 18171 6947 1 20 . 1 1 52 52 LYS C C 52 179.002 179.002 178.223 0.779 18171 6948 1 20 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.207 -0.233 18171 6949 1 20 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.259 -0.204 18171 6950 1 20 . 1 1 52 52 LYS H H 52 7.760 7.760 7.220 0.540 18171 6951 1 20 . 1 1 53 53 ILE N N 53 117.988 117.988 119.672 -1.684 18171 6952 1 20 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.505 0.252 18171 6953 1 20 . 1 1 53 53 ILE C C 53 177.686 177.686 177.785 -0.099 18171 6954 1 20 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.882 0.159 18171 6955 1 20 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.777 -0.110 18171 6956 1 20 . 1 1 53 53 ILE H H 53 8.400 8.400 8.522 -0.122 18171 6957 1 20 . 1 1 54 54 SER N N 54 114.267 114.267 113.437 0.830 18171 6958 1 20 . 1 1 54 54 SER HA H 54 4.050 4.050 4.242 -0.192 18171 6959 1 20 . 1 1 54 54 SER C C 54 175.690 175.690 176.010 -0.320 18171 6960 1 20 . 1 1 54 54 SER CA C 54 61.417 61.417 60.578 0.839 18171 6961 1 20 . 1 1 54 54 SER CB C 54 62.922 62.922 63.312 -0.390 18171 6962 1 20 . 1 1 54 54 SER H H 54 8.042 8.042 7.632 0.410 18171 6963 1 20 . 1 1 55 55 GLN N N 55 118.045 118.045 119.642 -1.597 18171 6964 1 20 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.039 0.101 18171 6965 1 20 . 1 1 55 55 GLN C C 55 177.193 177.193 177.800 -0.607 18171 6966 1 20 . 1 1 55 55 GLN CA C 55 57.082 57.082 58.364 -1.282 18171 6967 1 20 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.093 -0.373 18171 6968 1 20 . 1 1 55 55 GLN H H 55 7.415 7.415 7.519 -0.104 18171 6969 1 20 . 1 1 56 56 LEU N N 56 118.492 118.492 117.303 1.189 18171 6970 1 20 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.110 -0.077 18171 6971 1 20 . 1 1 56 56 LEU C C 56 176.578 176.578 176.515 0.063 18171 6972 1 20 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.252 -0.347 18171 6973 1 20 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.597 -0.048 18171 6974 1 20 . 1 1 56 56 LEU H H 56 7.732 7.732 7.798 -0.066 18171 6975 1 20 . 1 1 57 57 PHE N N 57 116.774 116.774 115.875 0.899 18171 6976 1 20 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.932 -0.040 18171 6977 1 20 . 1 1 57 57 PHE C C 57 173.125 173.125 174.259 -1.134 18171 6978 1 20 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.390 1.821 18171 6979 1 20 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.057 0.966 18171 6980 1 20 . 1 1 57 57 PHE H H 57 7.629 7.629 7.203 0.426 18171 6981 1 20 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.505 -0.025 18171 6982 1 20 . 1 1 58 58 PRO C C 58 178.090 178.090 177.067 1.023 18171 6983 1 20 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.623 0.349 18171 6984 1 20 . 1 1 58 58 PRO CB C 58 30.927 30.927 30.035 0.892 18171 6985 1 20 . 1 1 59 59 GLY N N 59 108.335 108.335 107.162 1.173 18171 6986 1 20 . 1 1 59 59 GLY C C 59 174.930 174.930 173.805 1.125 18171 6987 1 20 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.194 0.190 18171 6988 1 20 . 1 1 59 59 GLY H H 59 8.411 8.411 7.853 0.558 18171 6989 1 20 . 1 1 60 60 MET N N 60 119.206 119.206 118.461 0.745 18171 6990 1 20 . 1 1 60 60 MET HA H 60 4.467 4.467 4.081 0.386 18171 6991 1 20 . 1 1 60 60 MET C C 60 176.320 176.320 177.000 -0.680 18171 6992 1 20 . 1 1 60 60 MET CA C 60 56.395 56.395 55.949 0.446 18171 6993 1 20 . 1 1 60 60 MET CB C 60 32.964 32.964 31.245 1.718 18171 6994 1 20 . 1 1 60 60 MET H H 60 8.053 8.053 7.835 0.218 18171 6995 1 20 . 1 1 61 61 THR N N 61 111.041 111.041 116.454 -5.413 18171 6996 1 20 . 1 1 61 61 THR HA H 61 4.402 4.402 4.202 0.200 18171 6997 1 20 . 1 1 61 61 THR C C 61 173.976 173.976 175.922 -1.946 18171 6998 1 20 . 1 1 61 61 THR CA C 61 61.233 61.233 62.997 -1.764 18171 6999 1 20 . 1 1 61 61 THR CB C 61 70.120 70.120 68.906 1.214 18171 7000 1 20 . 1 1 61 61 THR H H 61 7.880 7.880 8.116 -0.236 18171 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 2.010 0.973 1.774 18171 2 1 1 "Average Difference" HA 59 0.178 -0.011 0.179 18171 3 1 1 "Average Difference" C 60 0.806 0.039 0.812 18171 4 1 1 "Average Difference" CA 60 0.790 0.052 0.795 18171 5 1 1 "Average Difference" CB 59 0.813 -0.114 0.811 18171 6 1 1 "Average Difference" HN 56 0.433 0.071 0.431 18171 7 1 2 "Average Difference" N 56 1.969 0.893 1.770 18171 8 1 2 "Average Difference" HA 59 0.160 0.010 0.161 18171 9 1 2 "Average Difference" C 60 0.881 -0.055 0.886 18171 10 1 2 "Average Difference" CA 60 0.861 0.035 0.868 18171 11 1 2 "Average Difference" CB 59 0.772 0.012 0.779 18171 12 1 2 "Average Difference" HN 56 0.388 0.028 0.390 18171 13 1 3 "Average Difference" N 56 1.969 0.949 1.741 18171 14 1 3 "Average Difference" HA 59 0.224 -0.023 0.224 18171 15 1 3 "Average Difference" C 60 0.860 -0.080 0.863 18171 16 1 3 "Average Difference" CA 60 0.879 0.174 0.869 18171 17 1 3 "Average Difference" CB 59 0.713 0.004 0.719 18171 18 1 3 "Average Difference" HN 56 0.449 0.058 0.450 18171 19 1 4 "Average Difference" N 56 1.839 0.781 1.680 18171 20 1 4 "Average Difference" HA 59 0.181 0.019 0.182 18171 21 1 4 "Average Difference" C 60 0.855 -0.069 0.859 18171 22 1 4 "Average Difference" CA 60 0.899 -0.006 0.907 18171 23 1 4 "Average Difference" CB 59 0.932 -0.016 0.940 18171 24 1 4 "Average Difference" HN 56 0.395 0.056 0.395 18171 25 1 5 "Average Difference" N 56 1.799 0.615 1.705 18171 26 1 5 "Average Difference" HA 59 0.186 0.011 0.188 18171 27 1 5 "Average Difference" C 60 0.916 -0.092 0.920 18171 28 1 5 "Average Difference" CA 60 0.933 0.008 0.941 18171 29 1 5 "Average Difference" CB 59 0.777 -0.095 0.778 18171 30 1 5 "Average Difference" HN 56 0.396 0.026 0.398 18171 31 1 6 "Average Difference" N 56 1.824 0.822 1.643 18171 32 1 6 "Average Difference" HA 59 0.175 0.010 0.177 18171 33 1 6 "Average Difference" C 60 0.778 -0.009 0.785 18171 34 1 6 "Average Difference" CA 60 0.827 0.004 0.834 18171 35 1 6 "Average Difference" CB 59 0.872 -0.051 0.878 18171 36 1 6 "Average Difference" HN 56 0.382 0.051 0.382 18171 37 1 7 "Average Difference" N 56 2.052 1.096 1.751 18171 38 1 7 "Average Difference" HA 59 0.174 0.019 0.174 18171 39 1 7 "Average Difference" C 60 0.806 -0.051 0.811 18171 40 1 7 "Average Difference" CA 60 0.883 0.063 0.889 18171 41 1 7 "Average Difference" CB 59 0.813 -0.059 0.818 18171 42 1 7 "Average Difference" HN 56 0.383 0.043 0.384 18171 43 1 8 "Average Difference" N 56 1.916 0.736 1.785 18171 44 1 8 "Average Difference" HA 59 0.172 0.007 0.173 18171 45 1 8 "Average Difference" C 60 0.850 -0.066 0.855 18171 46 1 8 "Average Difference" CA 60 0.797 -0.010 0.804 18171 47 1 8 "Average Difference" CB 59 0.874 -0.081 0.878 18171 48 1 8 "Average Difference" HN 56 0.400 0.081 0.395 18171 49 1 9 "Average Difference" N 56 1.985 0.937 1.766 18171 50 1 9 "Average Difference" HA 59 0.180 0.023 0.180 18171 51 1 9 "Average Difference" C 60 0.856 -0.051 0.862 18171 52 1 9 "Average Difference" CA 60 0.806 0.033 0.812 18171 53 1 9 "Average Difference" CB 59 0.763 -0.014 0.769 18171 54 1 9 "Average Difference" HN 56 0.390 0.036 0.391 18171 55 1 10 "Average Difference" N 56 1.914 0.879 1.715 18171 56 1 10 "Average Difference" HA 59 0.159 -0.008 0.160 18171 57 1 10 "Average Difference" C 60 0.853 -0.015 0.860 18171 58 1 10 "Average Difference" CA 60 0.670 0.026 0.676 18171 59 1 10 "Average Difference" CB 59 0.816 -0.070 0.820 18171 60 1 10 "Average Difference" HN 56 0.400 0.068 0.397 18171 61 1 11 "Average Difference" N 56 1.759 0.730 1.615 18171 62 1 11 "Average Difference" HA 59 0.180 0.014 0.181 18171 63 1 11 "Average Difference" C 60 0.837 -0.095 0.839 18171 64 1 11 "Average Difference" CA 60 0.915 0.013 0.922 18171 65 1 11 "Average Difference" CB 59 0.791 -0.044 0.796 18171 66 1 11 "Average Difference" HN 56 0.381 0.090 0.373 18171 67 1 12 "Average Difference" N 56 1.960 0.838 1.787 18171 68 1 12 "Average Difference" HA 59 0.157 0.012 0.158 18171 69 1 12 "Average Difference" C 60 0.862 -0.108 0.862 18171 70 1 12 "Average Difference" CA 60 0.704 -0.014 0.710 18171 71 1 12 "Average Difference" CB 59 0.786 -0.063 0.791 18171 72 1 12 "Average Difference" HN 56 0.402 0.038 0.404 18171 73 1 13 "Average Difference" N 56 2.045 0.918 1.844 18171 74 1 13 "Average Difference" HA 59 0.219 -0.006 0.221 18171 75 1 13 "Average Difference" C 60 0.834 -0.091 0.836 18171 76 1 13 "Average Difference" CA 60 0.823 0.092 0.824 18171 77 1 13 "Average Difference" CB 59 0.853 0.024 0.860 18171 78 1 13 "Average Difference" HN 56 0.399 0.042 0.400 18171 79 1 14 "Average Difference" N 56 1.910 0.931 1.683 18171 80 1 14 "Average Difference" HA 59 0.167 0.011 0.168 18171 81 1 14 "Average Difference" C 60 0.846 -0.093 0.848 18171 82 1 14 "Average Difference" CA 60 0.699 0.031 0.704 18171 83 1 14 "Average Difference" CB 59 0.746 -0.015 0.752 18171 84 1 14 "Average Difference" HN 56 0.366 0.059 0.364 18171 85 1 15 "Average Difference" N 56 1.730 0.775 1.561 18171 86 1 15 "Average Difference" HA 59 0.192 0.017 0.192 18171 87 1 15 "Average Difference" C 60 0.885 -0.089 0.888 18171 88 1 15 "Average Difference" CA 60 0.906 0.010 0.914 18171 89 1 15 "Average Difference" CB 59 0.848 -0.068 0.852 18171 90 1 15 "Average Difference" HN 56 0.395 0.044 0.396 18171 91 1 16 "Average Difference" N 56 1.879 0.732 1.746 18171 92 1 16 "Average Difference" HA 59 0.183 0.006 0.185 18171 93 1 16 "Average Difference" C 60 0.874 -0.036 0.880 18171 94 1 16 "Average Difference" CA 60 0.875 0.059 0.881 18171 95 1 16 "Average Difference" CB 59 0.884 -0.015 0.891 18171 96 1 16 "Average Difference" HN 56 0.382 0.055 0.382 18171 97 1 17 "Average Difference" N 56 1.882 0.848 1.695 18171 98 1 17 "Average Difference" HA 59 0.170 0.013 0.171 18171 99 1 17 "Average Difference" C 60 0.810 0.012 0.816 18171 100 1 17 "Average Difference" CA 60 0.767 0.047 0.772 18171 101 1 17 "Average Difference" CB 59 0.754 0.060 0.758 18171 102 1 17 "Average Difference" HN 56 0.414 0.046 0.415 18171 103 1 18 "Average Difference" N 56 2.201 1.032 1.961 18171 104 1 18 "Average Difference" HA 59 0.168 0.006 0.169 18171 105 1 18 "Average Difference" C 60 0.944 -0.056 0.950 18171 106 1 18 "Average Difference" CA 60 0.978 0.061 0.985 18171 107 1 18 "Average Difference" CB 59 0.793 -0.016 0.800 18171 108 1 18 "Average Difference" HN 56 0.392 0.066 0.390 18171 109 1 19 "Average Difference" N 56 1.718 0.837 1.513 18171 110 1 19 "Average Difference" HA 59 0.172 0.003 0.174 18171 111 1 19 "Average Difference" C 60 0.884 0.017 0.891 18171 112 1 19 "Average Difference" CA 60 0.788 0.025 0.794 18171 113 1 19 "Average Difference" CB 59 0.760 -0.067 0.764 18171 114 1 19 "Average Difference" HN 56 0.393 0.058 0.392 18171 115 1 20 "Average Difference" N 56 1.877 0.789 1.719 18171 116 1 20 "Average Difference" HA 59 0.172 0.011 0.173 18171 117 1 20 "Average Difference" C 60 0.915 -0.006 0.923 18171 118 1 20 "Average Difference" CA 60 0.724 0.073 0.727 18171 119 1 20 "Average Difference" CB 59 0.841 -0.096 0.843 18171 120 1 20 "Average Difference" HN 56 0.392 0.065 0.390 18171 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 18171 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 115.081 115.081 121.308 -6.227 18171 2 1 . 1 1 2 2 GLU HA H 2 3.860 3.860 4.020 -0.160 18171 3 1 . 1 1 2 2 GLU C C 2 179.259 179.259 178.369 0.890 18171 4 1 . 1 1 2 2 GLU CA C 2 60.360 60.360 59.327 1.033 18171 5 1 . 1 1 2 2 GLU CB C 2 28.726 28.726 29.265 -0.539 18171 6 1 . 1 1 2 2 GLU H H 2 8.756 8.756 8.948 -0.192 18171 7 1 . 1 1 3 3 GLU N N 3 120.051 120.051 119.398 0.653 18171 8 1 . 1 1 3 3 GLU HA H 3 4.016 4.016 4.075 -0.059 18171 9 1 . 1 1 3 3 GLU C C 3 178.863 178.863 178.804 0.059 18171 10 1 . 1 1 3 3 GLU CA C 3 59.006 59.006 59.279 -0.273 18171 11 1 . 1 1 3 3 GLU CB C 3 30.365 30.365 29.267 1.098 18171 12 1 . 1 1 3 3 GLU H H 3 7.722 7.722 8.484 -0.762 18171 13 1 . 1 1 4 4 VAL N N 4 120.223 120.223 119.596 0.627 18171 14 1 . 1 1 4 4 VAL HA H 4 3.509 3.509 3.712 -0.203 18171 15 1 . 1 1 4 4 VAL C C 4 177.687 177.687 177.989 -0.302 18171 16 1 . 1 1 4 4 VAL CA C 4 66.667 66.667 65.529 1.138 18171 17 1 . 1 1 4 4 VAL CB C 4 31.541 31.541 31.673 -0.132 18171 18 1 . 1 1 4 4 VAL H H 4 7.815 7.815 7.611 0.204 18171 19 1 . 1 1 5 5 ILE N N 5 118.475 118.475 119.152 -0.677 18171 20 1 . 1 1 5 5 ILE HA H 5 3.500 3.500 3.579 -0.079 18171 21 1 . 1 1 5 5 ILE C C 5 177.638 177.638 177.899 -0.261 18171 22 1 . 1 1 5 5 ILE CA C 5 64.361 64.361 64.914 -0.553 18171 23 1 . 1 1 5 5 ILE CB C 5 37.136 37.136 37.086 0.050 18171 24 1 . 1 1 5 5 ILE H H 5 8.293 8.293 8.174 0.119 18171 25 1 . 1 1 6 6 SER N N 6 113.327 113.327 114.625 -1.298 18171 26 1 . 1 1 6 6 SER HA H 6 4.034 4.034 4.216 -0.182 18171 27 1 . 1 1 6 6 SER C C 6 176.398 176.398 176.278 0.121 18171 28 1 . 1 1 6 6 SER CA C 6 61.781 61.781 61.176 0.605 18171 29 1 . 1 1 6 6 SER CB C 6 62.770 62.770 62.943 -0.173 18171 30 1 . 1 1 6 6 SER H H 6 7.740 7.740 7.832 -0.092 18171 31 1 . 1 1 7 7 LYS N N 7 119.755 119.755 122.143 -2.388 18171 32 1 . 1 1 7 7 LYS HA H 7 4.143 4.143 4.141 0.002 18171 33 1 . 1 1 7 7 LYS C C 7 179.622 179.622 178.724 0.898 18171 34 1 . 1 1 7 7 LYS CA C 7 58.006 58.006 58.476 -0.470 18171 35 1 . 1 1 7 7 LYS CB C 7 31.742 31.742 31.863 -0.121 18171 36 1 . 1 1 7 7 LYS H H 7 7.523 7.523 7.879 -0.356 18171 37 1 . 1 1 8 8 ILE N N 8 119.544 119.544 120.335 -0.791 18171 38 1 . 1 1 8 8 ILE HA H 8 3.643 3.643 3.738 -0.095 18171 39 1 . 1 1 8 8 ILE C C 8 177.510 177.510 177.268 0.242 18171 40 1 . 1 1 8 8 ILE CA C 8 65.180 65.180 63.232 1.948 18171 41 1 . 1 1 8 8 ILE CB C 8 37.461 37.461 36.489 0.972 18171 42 1 . 1 1 8 8 ILE H H 8 8.132 8.132 7.685 0.447 18171 43 1 . 1 1 9 9 MET N N 9 114.616 114.616 117.361 -2.745 18171 44 1 . 1 1 9 9 MET HA H 9 4.104 4.104 4.140 -0.036 18171 45 1 . 1 1 9 9 MET C C 9 177.018 177.018 177.022 -0.004 18171 46 1 . 1 1 9 9 MET CA C 9 56.601 56.601 57.439 -0.838 18171 47 1 . 1 1 9 9 MET CB C 9 31.479 31.479 31.538 -0.059 18171 48 1 . 1 1 9 9 MET H H 9 7.835 7.835 7.534 0.301 18171 49 1 . 1 1 10 10 GLU N N 10 116.206 116.206 118.692 -2.486 18171 50 1 . 1 1 10 10 GLU HA H 10 4.152 4.152 4.091 0.061 18171 51 1 . 1 1 10 10 GLU C C 10 176.263 176.263 177.043 -0.780 18171 52 1 . 1 1 10 10 GLU CA C 10 57.083 57.083 57.455 -0.372 18171 53 1 . 1 1 10 10 GLU CB C 10 30.010 30.010 29.758 0.252 18171 54 1 . 1 1 10 10 GLU H H 10 7.318 7.318 7.863 -0.545 18171 55 1 . 1 1 11 11 ASN N N 11 119.007 119.007 117.798 1.209 18171 56 1 . 1 1 11 11 ASN HA H 11 5.141 5.141 5.102 0.039 18171 57 1 . 1 1 11 11 ASN C C 11 173.093 173.093 173.245 -0.152 18171 58 1 . 1 1 11 11 ASN CA C 11 50.709 50.709 50.828 -0.119 18171 59 1 . 1 1 11 11 ASN CB C 11 40.100 40.100 39.540 0.560 18171 60 1 . 1 1 11 11 ASN H H 11 7.707 7.707 7.832 -0.125 18171 61 1 . 1 1 12 12 PRO HA H 12 4.283 4.283 4.102 0.181 18171 62 1 . 1 1 12 12 PRO C C 12 177.932 177.932 177.541 0.391 18171 63 1 . 1 1 12 12 PRO CA C 12 65.228 65.228 65.153 0.075 18171 64 1 . 1 1 12 12 PRO CB C 12 32.008 32.008 31.821 0.187 18171 65 1 . 1 1 13 13 ASP N N 13 116.410 116.410 117.430 -1.020 18171 66 1 . 1 1 13 13 ASP HA H 13 4.425 4.425 4.456 -0.031 18171 67 1 . 1 1 13 13 ASP C C 13 178.456 178.456 178.326 0.130 18171 68 1 . 1 1 13 13 ASP CA C 13 56.809 56.809 57.190 -0.381 18171 69 1 . 1 1 13 13 ASP CB C 13 39.939 39.939 40.760 -0.821 18171 70 1 . 1 1 13 13 ASP H H 13 8.218 8.218 8.419 -0.201 18171 71 1 . 1 1 14 14 VAL N N 14 120.053 120.053 120.404 -0.351 18171 72 1 . 1 1 14 14 VAL HA H 14 3.782 3.782 3.792 -0.010 18171 73 1 . 1 1 14 14 VAL C C 14 177.045 177.045 177.611 -0.566 18171 74 1 . 1 1 14 14 VAL CA C 14 64.350 64.350 65.659 -1.309 18171 75 1 . 1 1 14 14 VAL CB C 14 31.761 31.761 31.505 0.256 18171 76 1 . 1 1 14 14 VAL H H 14 7.722 7.722 8.111 -0.389 18171 77 1 . 1 1 15 15 ALA N N 15 121.814 121.814 122.596 -0.782 18171 78 1 . 1 1 15 15 ALA HA H 15 3.922 3.922 3.781 0.141 18171 79 1 . 1 1 15 15 ALA C C 15 180.315 180.315 179.272 1.043 18171 80 1 . 1 1 15 15 ALA CA C 15 55.654 55.654 55.153 0.501 18171 81 1 . 1 1 15 15 ALA CB C 15 18.177 18.177 18.208 -0.031 18171 82 1 . 1 1 15 15 ALA H H 15 8.245 8.245 7.519 0.726 18171 83 1 . 1 1 16 16 MET N N 16 114.438 114.438 116.845 -2.407 18171 84 1 . 1 1 16 16 MET HA H 16 4.234 4.234 4.376 -0.142 18171 85 1 . 1 1 16 16 MET C C 16 178.930 178.930 178.826 0.104 18171 86 1 . 1 1 16 16 MET CA C 16 58.011 58.011 57.635 0.376 18171 87 1 . 1 1 16 16 MET CB C 16 32.027 32.027 32.628 -0.601 18171 88 1 . 1 1 16 16 MET H H 16 7.878 7.878 7.781 0.097 18171 89 1 . 1 1 17 17 ALA N N 17 123.280 123.280 123.584 -0.304 18171 90 1 . 1 1 17 17 ALA HA H 17 4.178 4.178 4.188 -0.010 18171 91 1 . 1 1 17 17 ALA C C 17 179.091 179.091 179.656 -0.565 18171 92 1 . 1 1 17 17 ALA CA C 17 54.563 54.563 54.930 -0.367 18171 93 1 . 1 1 17 17 ALA CB C 17 18.391 18.391 18.075 0.316 18171 94 1 . 1 1 17 17 ALA H H 17 7.647 7.647 8.047 -0.400 18171 95 1 . 1 1 18 18 PHE N N 18 114.808 114.808 116.234 -1.426 18171 96 1 . 1 1 18 18 PHE HA H 18 4.118 4.118 4.253 -0.135 18171 97 1 . 1 1 18 18 PHE C C 18 175.169 175.169 176.562 -1.393 18171 98 1 . 1 1 18 18 PHE CA C 18 59.434 59.434 60.389 -0.955 18171 99 1 . 1 1 18 18 PHE CB C 18 39.043 39.043 38.684 0.359 18171 100 1 . 1 1 18 18 PHE H H 18 8.032 8.032 8.639 -0.607 18171 101 1 . 1 1 19 19 GLN N N 19 114.221 114.221 116.903 -2.682 18171 102 1 . 1 1 19 19 GLN HA H 19 4.067 4.067 4.327 -0.260 18171 103 1 . 1 1 19 19 GLN C C 19 175.843 175.843 175.614 0.229 18171 104 1 . 1 1 19 19 GLN CA C 19 56.147 56.147 55.618 0.529 18171 105 1 . 1 1 19 19 GLN CB C 19 28.620 28.620 28.703 -0.083 18171 106 1 . 1 1 19 19 GLN H H 19 7.414 7.414 7.572 -0.158 18171 107 1 . 1 1 20 20 ASN N N 20 119.994 119.994 119.499 0.495 18171 108 1 . 1 1 20 20 ASN HA H 20 4.883 4.883 5.187 -0.304 18171 109 1 . 1 1 20 20 ASN C C 20 174.726 174.726 174.045 0.681 18171 110 1 . 1 1 20 20 ASN CA C 20 50.601 50.601 50.365 0.236 18171 111 1 . 1 1 20 20 ASN CB C 20 39.257 39.257 40.237 -0.980 18171 112 1 . 1 1 20 20 ASN H H 20 7.497 7.497 7.897 -0.400 18171 113 1 . 1 1 21 21 PRO HA H 21 4.189 4.189 4.408 -0.219 18171 114 1 . 1 1 21 21 PRO C C 21 178.747 178.747 178.448 0.298 18171 115 1 . 1 1 21 21 PRO CA C 21 65.046 65.046 65.614 -0.568 18171 116 1 . 1 1 21 21 PRO CB C 21 32.121 32.121 32.232 -0.111 18171 117 1 . 1 1 22 22 ARG N N 22 117.899 117.899 118.487 -0.588 18171 118 1 . 1 1 22 22 ARG HA H 22 4.093 4.093 4.021 0.072 18171 119 1 . 1 1 22 22 ARG C C 22 178.827 178.827 178.494 0.333 18171 120 1 . 1 1 22 22 ARG CA C 22 58.986 58.986 58.979 0.007 18171 121 1 . 1 1 22 22 ARG CB C 22 30.431 30.431 29.233 1.198 18171 122 1 . 1 1 22 22 ARG H H 22 8.066 8.066 8.528 -0.462 18171 123 1 . 1 1 23 23 VAL N N 23 119.694 119.694 119.819 -0.125 18171 124 1 . 1 1 23 23 VAL HA H 23 3.384 3.384 3.620 -0.236 18171 125 1 . 1 1 23 23 VAL C C 23 177.319 177.319 177.658 -0.339 18171 126 1 . 1 1 23 23 VAL CA C 23 65.748 65.748 66.185 -0.437 18171 127 1 . 1 1 23 23 VAL CB C 23 31.521 31.521 31.233 0.288 18171 128 1 . 1 1 23 23 VAL H H 23 7.199 7.199 7.584 -0.385 18171 129 1 . 1 1 24 24 GLN N N 24 117.842 117.842 119.376 -1.534 18171 130 1 . 1 1 24 24 GLN HA H 24 3.633 3.633 3.733 -0.100 18171 131 1 . 1 1 24 24 GLN C C 24 177.902 177.902 178.234 -0.332 18171 132 1 . 1 1 24 24 GLN CA C 24 59.669 59.669 59.104 0.564 18171 133 1 . 1 1 24 24 GLN CB C 24 28.020 28.020 28.371 -0.351 18171 134 1 . 1 1 24 24 GLN H H 24 7.790 7.790 8.123 -0.333 18171 135 1 . 1 1 25 25 ALA N N 25 119.267 119.267 120.825 -1.558 18171 136 1 . 1 1 25 25 ALA HA H 25 4.046 4.046 4.066 -0.020 18171 137 1 . 1 1 25 25 ALA C C 25 179.854 179.854 178.960 0.894 18171 138 1 . 1 1 25 25 ALA CA C 25 55.046 55.046 54.657 0.389 18171 139 1 . 1 1 25 25 ALA CB C 25 17.824 17.824 18.129 -0.305 18171 140 1 . 1 1 25 25 ALA H H 25 7.808 7.808 8.290 -0.482 18171 141 1 . 1 1 26 26 ALA N N 26 120.738 120.738 122.203 -1.465 18171 142 1 . 1 1 26 26 ALA HA H 26 3.921 3.921 3.661 0.260 18171 143 1 . 1 1 26 26 ALA C C 26 179.988 179.988 179.693 0.295 18171 144 1 . 1 1 26 26 ALA CA C 26 55.199 55.199 54.479 0.720 18171 145 1 . 1 1 26 26 ALA CB C 26 18.171 18.171 18.003 0.168 18171 146 1 . 1 1 26 26 ALA H H 26 7.500 7.500 7.360 0.140 18171 147 1 . 1 1 27 27 LEU N N 27 118.511 118.511 119.327 -0.816 18171 148 1 . 1 1 27 27 LEU HA H 27 3.913 3.913 4.114 -0.201 18171 149 1 . 1 1 27 27 LEU C C 27 179.923 179.923 178.971 0.952 18171 150 1 . 1 1 27 27 LEU CA C 27 58.059 58.059 57.956 0.103 18171 151 1 . 1 1 27 27 LEU CB C 27 40.928 40.928 41.798 -0.870 18171 152 1 . 1 1 27 27 LEU H H 27 8.324 8.324 8.312 0.012 18171 153 1 . 1 1 28 28 MET N N 28 118.681 118.681 118.224 0.457 18171 154 1 . 1 1 28 28 MET HA H 28 4.144 4.144 4.045 0.099 18171 155 1 . 1 1 28 28 MET C C 28 179.635 179.635 178.473 1.162 18171 156 1 . 1 1 28 28 MET CA C 28 58.734 58.734 58.399 0.335 18171 157 1 . 1 1 28 28 MET CB C 28 31.901 31.901 32.352 -0.451 18171 158 1 . 1 1 28 28 MET H H 28 8.127 8.127 8.262 -0.135 18171 159 1 . 1 1 29 29 GLU N N 29 119.813 119.813 119.061 0.752 18171 160 1 . 1 1 29 29 GLU HA H 29 4.226 4.226 4.187 0.040 18171 161 1 . 1 1 29 29 GLU C C 29 180.544 180.544 179.043 1.501 18171 162 1 . 1 1 29 29 GLU CA C 29 59.696 59.696 58.855 0.841 18171 163 1 . 1 1 29 29 GLU CB C 29 29.677 29.677 29.629 0.049 18171 164 1 . 1 1 29 29 GLU H H 29 8.302 8.302 8.269 0.033 18171 165 1 . 1 1 30 30 CYS N N 30 118.465 118.465 119.048 -0.583 18171 166 1 . 1 1 30 30 CYS HA H 30 4.453 4.453 4.328 0.125 18171 167 1 . 1 1 30 30 CYS C C 30 175.357 175.357 175.863 -0.506 18171 168 1 . 1 1 30 30 CYS CA C 30 62.482 62.482 62.034 0.448 18171 169 1 . 1 1 30 30 CYS CB C 30 26.790 26.790 27.371 -0.582 18171 170 1 . 1 1 30 30 CYS H H 30 8.465 8.465 8.086 0.379 18171 171 1 . 1 1 31 31 SER N N 31 114.366 114.366 114.224 0.142 18171 172 1 . 1 1 31 31 SER HA H 31 4.174 4.174 4.198 -0.024 18171 173 1 . 1 1 31 31 SER C C 31 175.371 175.371 176.100 -0.729 18171 174 1 . 1 1 31 31 SER CA C 31 60.932 60.932 61.070 -0.138 18171 175 1 . 1 1 31 31 SER CB C 31 62.749 62.749 62.998 -0.249 18171 176 1 . 1 1 31 31 SER H H 31 7.859 7.859 7.722 0.137 18171 177 1 . 1 1 32 32 GLU N N 32 119.996 119.996 120.396 -0.400 18171 178 1 . 1 1 32 32 GLU HA H 32 4.204 4.204 4.232 -0.028 18171 179 1 . 1 1 32 32 GLU C C 32 176.983 176.983 176.657 0.326 18171 180 1 . 1 1 32 32 GLU CA C 32 57.972 57.972 58.174 -0.202 18171 181 1 . 1 1 32 32 GLU CB C 32 30.077 30.077 30.447 -0.370 18171 182 1 . 1 1 32 32 GLU H H 32 7.254 7.254 8.067 -0.813 18171 183 1 . 1 1 33 33 ASN N N 33 113.026 113.026 112.278 0.749 18171 184 1 . 1 1 33 33 ASN HA H 33 4.973 4.973 4.911 0.062 18171 185 1 . 1 1 33 33 ASN C C 33 173.504 173.504 173.083 0.421 18171 186 1 . 1 1 33 33 ASN CA C 33 50.736 50.736 52.212 -1.476 18171 187 1 . 1 1 33 33 ASN CB C 33 39.485 39.485 38.169 1.316 18171 188 1 . 1 1 33 33 ASN H H 33 7.370 7.370 7.644 -0.274 18171 189 1 . 1 1 34 34 PRO HA H 34 4.574 4.574 4.309 0.265 18171 190 1 . 1 1 34 34 PRO C C 34 178.270 178.270 177.438 0.832 18171 191 1 . 1 1 34 34 PRO CA C 34 64.827 64.827 64.968 -0.141 18171 192 1 . 1 1 34 34 PRO CB C 34 31.754 31.754 31.905 -0.151 18171 193 1 . 1 1 35 35 MET N N 35 115.258 115.258 114.322 0.936 18171 194 1 . 1 1 35 35 MET HA H 35 4.330 4.330 4.252 0.078 18171 195 1 . 1 1 35 35 MET C C 35 178.569 178.569 177.000 1.569 18171 196 1 . 1 1 35 35 MET CA C 35 57.050 57.050 57.023 0.027 18171 197 1 . 1 1 35 35 MET CB C 35 31.300 31.300 31.279 0.021 18171 198 1 . 1 1 35 35 MET H H 35 7.962 7.962 7.975 -0.013 18171 199 1 . 1 1 36 36 ASN N N 36 117.357 117.357 118.680 -1.323 18171 200 1 . 1 1 36 36 ASN HA H 36 4.573 4.573 4.541 0.032 18171 201 1 . 1 1 36 36 ASN C C 36 176.470 176.470 177.386 -0.915 18171 202 1 . 1 1 36 36 ASN CA C 36 55.126 55.126 55.787 -0.661 18171 203 1 . 1 1 36 36 ASN CB C 36 38.442 38.442 37.914 0.528 18171 204 1 . 1 1 36 36 ASN H H 36 8.462 8.462 8.271 0.191 18171 205 1 . 1 1 37 37 ILE N N 37 121.622 121.622 121.974 -0.352 18171 206 1 . 1 1 37 37 ILE HA H 37 4.110 4.110 3.836 0.274 18171 207 1 . 1 1 37 37 ILE C C 37 177.331 177.331 176.805 0.526 18171 208 1 . 1 1 37 37 ILE CA C 37 62.588 62.588 62.839 -0.251 18171 209 1 . 1 1 37 37 ILE CB C 37 38.015 38.015 37.908 0.107 18171 210 1 . 1 1 37 37 ILE H H 37 7.820 7.820 7.457 0.363 18171 211 1 . 1 1 38 38 MET N N 38 118.071 118.071 116.735 1.336 18171 212 1 . 1 1 38 38 MET HA H 38 4.174 4.174 4.160 0.014 18171 213 1 . 1 1 38 38 MET C C 38 178.456 178.456 176.942 1.514 18171 214 1 . 1 1 38 38 MET CA C 38 57.563 57.563 57.202 0.361 18171 215 1 . 1 1 38 38 MET CB C 38 31.533 31.533 31.442 0.091 18171 216 1 . 1 1 38 38 MET H H 38 7.479 7.479 7.602 -0.123 18171 217 1 . 1 1 39 39 LYS N N 39 117.427 117.427 117.840 -0.413 18171 218 1 . 1 1 39 39 LYS HA H 39 3.947 3.947 4.179 -0.232 18171 219 1 . 1 1 39 39 LYS C C 39 177.456 177.456 178.219 -0.763 18171 220 1 . 1 1 39 39 LYS CA C 39 58.012 58.012 57.543 0.469 18171 221 1 . 1 1 39 39 LYS CB C 39 31.773 31.773 33.661 -1.888 18171 222 1 . 1 1 39 39 LYS H H 39 7.580 7.580 7.705 -0.125 18171 223 1 . 1 1 40 40 TYR N N 40 116.049 116.049 119.203 -3.154 18171 224 1 . 1 1 40 40 TYR HA H 40 4.530 4.530 4.454 0.076 18171 225 1 . 1 1 40 40 TYR C C 40 175.635 175.635 177.938 -2.303 18171 226 1 . 1 1 40 40 TYR CA C 40 58.398 58.398 58.726 -0.328 18171 227 1 . 1 1 40 40 TYR CB C 40 39.490 39.490 36.927 2.562 18171 228 1 . 1 1 40 40 TYR H H 40 7.651 7.651 7.522 0.129 18171 229 1 . 1 1 41 41 GLN N N 41 116.626 116.626 119.547 -2.921 18171 230 1 . 1 1 41 41 GLN HA H 41 4.333 4.333 3.983 0.350 18171 231 1 . 1 1 41 41 GLN C C 41 175.887 175.887 176.639 -0.752 18171 232 1 . 1 1 41 41 GLN CA C 41 58.586 58.586 58.559 0.027 18171 233 1 . 1 1 41 41 GLN CB C 41 29.047 29.047 27.763 1.284 18171 234 1 . 1 1 41 41 GLN H H 41 7.001 7.001 7.788 -0.787 18171 235 1 . 1 1 42 42 ASN N N 42 114.491 114.491 114.913 -0.422 18171 236 1 . 1 1 42 42 ASN HA H 42 4.862 4.862 4.661 0.201 18171 237 1 . 1 1 42 42 ASN C C 42 173.784 173.784 175.264 -1.480 18171 238 1 . 1 1 42 42 ASN CA C 42 52.532 52.532 53.712 -1.180 18171 239 1 . 1 1 42 42 ASN CB C 42 38.588 38.588 39.108 -0.520 18171 240 1 . 1 1 42 42 ASN H H 42 8.281 8.281 7.594 0.687 18171 241 1 . 1 1 43 43 ASP N N 43 122.981 122.981 122.088 0.893 18171 242 1 . 1 1 43 43 ASP HA H 43 4.755 4.755 4.712 0.042 18171 243 1 . 1 1 43 43 ASP C C 43 174.773 174.773 176.293 -1.520 18171 244 1 . 1 1 43 43 ASP CA C 43 52.607 52.607 53.283 -0.676 18171 245 1 . 1 1 43 43 ASP CB C 43 41.369 41.369 40.752 0.617 18171 246 1 . 1 1 43 43 ASP H H 43 7.960 7.960 8.069 -0.109 18171 247 1 . 1 1 44 44 LYS N N 44 125.893 125.893 126.969 -1.076 18171 248 1 . 1 1 44 44 LYS HA H 44 3.860 3.860 3.905 -0.045 18171 249 1 . 1 1 44 44 LYS C C 44 177.796 177.796 178.331 -0.535 18171 250 1 . 1 1 44 44 LYS CA C 44 59.796 59.796 59.514 0.282 18171 251 1 . 1 1 44 44 LYS CB C 44 32.536 32.536 32.498 0.038 18171 252 1 . 1 1 44 44 LYS H H 44 8.361 8.361 8.056 0.306 18171 253 1 . 1 1 45 45 GLU N N 45 116.698 116.698 118.808 -2.110 18171 254 1 . 1 1 45 45 GLU HA H 45 4.067 4.067 4.126 -0.059 18171 255 1 . 1 1 45 45 GLU C C 45 178.724 178.724 178.773 -0.049 18171 256 1 . 1 1 45 45 GLU CA C 45 59.455 59.455 59.392 0.063 18171 257 1 . 1 1 45 45 GLU CB C 45 29.757 29.757 29.359 0.398 18171 258 1 . 1 1 45 45 GLU H H 45 8.127 8.127 7.974 0.153 18171 259 1 . 1 1 46 46 VAL N N 46 117.476 117.476 119.770 -2.294 18171 260 1 . 1 1 46 46 VAL HA H 46 3.414 3.414 3.727 -0.313 18171 261 1 . 1 1 46 46 VAL C C 46 177.879 177.879 178.157 -0.278 18171 262 1 . 1 1 46 46 VAL CA C 46 66.430 66.430 66.094 0.336 18171 263 1 . 1 1 46 46 VAL CB C 46 32.028 32.028 31.385 0.643 18171 264 1 . 1 1 46 46 VAL H H 46 7.452 7.452 7.697 -0.245 18171 265 1 . 1 1 47 47 MET N N 47 117.027 117.027 119.735 -2.708 18171 266 1 . 1 1 47 47 MET HA H 47 4.479 4.479 4.110 0.369 18171 267 1 . 1 1 47 47 MET C C 47 179.307 179.307 178.385 0.922 18171 268 1 . 1 1 47 47 MET CA C 47 56.809 56.809 59.356 -2.547 18171 269 1 . 1 1 47 47 MET CB C 47 30.371 30.371 31.765 -1.394 18171 270 1 . 1 1 47 47 MET H H 47 8.542 8.542 8.301 0.241 18171 271 1 . 1 1 48 48 ASP N N 48 119.811 119.811 120.127 -0.316 18171 272 1 . 1 1 48 48 ASP HA H 48 4.492 4.492 4.426 0.066 18171 273 1 . 1 1 48 48 ASP C C 48 179.136 179.136 179.121 0.015 18171 274 1 . 1 1 48 48 ASP CA C 48 57.571 57.571 57.742 -0.171 18171 275 1 . 1 1 48 48 ASP CB C 48 40.453 40.453 40.683 -0.230 18171 276 1 . 1 1 48 48 ASP H H 48 8.580 8.580 8.037 0.543 18171 277 1 . 1 1 49 49 VAL N N 49 118.816 118.816 120.057 -1.241 18171 278 1 . 1 1 49 49 VAL HA H 49 3.638 3.638 3.759 -0.121 18171 279 1 . 1 1 49 49 VAL C C 49 177.777 177.777 177.633 0.144 18171 280 1 . 1 1 49 49 VAL CA C 49 66.457 66.457 66.228 0.229 18171 281 1 . 1 1 49 49 VAL CB C 49 31.066 31.066 31.930 -0.864 18171 282 1 . 1 1 49 49 VAL H H 49 7.319 7.319 7.550 -0.231 18171 283 1 . 1 1 50 50 PHE N N 50 120.305 120.305 119.461 0.844 18171 284 1 . 1 1 50 50 PHE HA H 50 4.136 4.136 4.203 -0.067 18171 285 1 . 1 1 50 50 PHE C C 50 178.505 178.505 177.908 0.597 18171 286 1 . 1 1 50 50 PHE CA C 50 61.540 61.540 62.178 -0.638 18171 287 1 . 1 1 50 50 PHE CB C 50 38.309 38.309 38.766 -0.457 18171 288 1 . 1 1 50 50 PHE H H 50 8.529 8.529 9.094 -0.565 18171 289 1 . 1 1 51 51 ASN N N 51 117.888 117.888 117.402 0.486 18171 290 1 . 1 1 51 51 ASN HA H 51 4.415 4.415 4.533 -0.118 18171 291 1 . 1 1 51 51 ASN C C 51 177.863 177.863 177.105 0.758 18171 292 1 . 1 1 51 51 ASN CA C 51 56.168 56.168 55.901 0.267 18171 293 1 . 1 1 51 51 ASN CB C 51 38.309 38.309 38.547 -0.238 18171 294 1 . 1 1 51 51 ASN H H 51 8.886 8.886 8.645 0.241 18171 295 1 . 1 1 52 52 LYS N N 52 120.120 120.120 121.423 -1.303 18171 296 1 . 1 1 52 52 LYS HA H 52 4.110 4.110 4.116 -0.006 18171 297 1 . 1 1 52 52 LYS C C 52 179.002 179.002 178.505 0.497 18171 298 1 . 1 1 52 52 LYS CA C 52 58.974 58.974 59.146 -0.172 18171 299 1 . 1 1 52 52 LYS CB C 52 32.055 32.055 32.431 -0.376 18171 300 1 . 1 1 52 52 LYS H H 52 7.760 7.760 7.272 0.488 18171 301 1 . 1 1 53 53 ILE N N 53 117.988 117.988 119.704 -1.716 18171 302 1 . 1 1 53 53 ILE HA H 53 3.757 3.757 3.435 0.322 18171 303 1 . 1 1 53 53 ILE C C 53 177.686 177.686 177.315 0.371 18171 304 1 . 1 1 53 53 ILE CA C 53 65.041 65.041 64.434 0.607 18171 305 1 . 1 1 53 53 ILE CB C 53 37.667 37.667 37.515 0.152 18171 306 1 . 1 1 53 53 ILE H H 53 8.400 8.400 8.459 -0.059 18171 307 1 . 1 1 54 54 SER N N 54 114.267 114.267 113.132 1.135 18171 308 1 . 1 1 54 54 SER HA H 54 4.050 4.050 4.275 -0.225 18171 309 1 . 1 1 54 54 SER C C 54 175.690 175.690 176.063 -0.373 18171 310 1 . 1 1 54 54 SER CA C 54 61.417 61.417 60.601 0.816 18171 311 1 . 1 1 54 54 SER CB C 54 62.922 62.922 63.370 -0.448 18171 312 1 . 1 1 54 54 SER H H 54 8.042 8.042 7.611 0.431 18171 313 1 . 1 1 55 55 GLN N N 55 118.045 118.045 119.775 -1.730 18171 314 1 . 1 1 55 55 GLN HA H 55 4.140 4.140 4.159 -0.019 18171 315 1 . 1 1 55 55 GLN C C 55 177.193 177.193 177.849 -0.656 18171 316 1 . 1 1 55 55 GLN CA C 55 57.082 57.082 57.951 -0.869 18171 317 1 . 1 1 55 55 GLN CB C 55 28.720 28.720 29.090 -0.370 18171 318 1 . 1 1 55 55 GLN H H 55 7.415 7.415 7.516 -0.101 18171 319 1 . 1 1 56 56 LEU N N 56 118.492 118.492 117.995 0.497 18171 320 1 . 1 1 56 56 LEU HA H 56 4.033 4.033 4.175 -0.142 18171 321 1 . 1 1 56 56 LEU C C 56 176.578 176.578 176.526 0.052 18171 322 1 . 1 1 56 56 LEU CA C 56 55.905 55.905 56.114 -0.209 18171 323 1 . 1 1 56 56 LEU CB C 56 42.549 42.549 42.563 -0.014 18171 324 1 . 1 1 56 56 LEU H H 56 7.732 7.732 7.908 -0.176 18171 325 1 . 1 1 57 57 PHE N N 57 116.774 116.774 115.572 1.202 18171 326 1 . 1 1 57 57 PHE HA H 57 4.892 4.892 4.931 -0.039 18171 327 1 . 1 1 57 57 PHE C C 57 173.125 173.125 174.008 -0.883 18171 328 1 . 1 1 57 57 PHE CA C 57 55.211 55.211 53.902 1.309 18171 329 1 . 1 1 57 57 PHE CB C 57 39.023 39.023 38.242 0.781 18171 330 1 . 1 1 57 57 PHE H H 57 7.629 7.629 7.495 0.134 18171 331 1 . 1 1 58 58 PRO HA H 58 4.480 4.480 4.430 0.050 18171 332 1 . 1 1 58 58 PRO C C 58 178.090 178.090 177.411 0.679 18171 333 1 . 1 1 58 58 PRO CA C 58 63.972 63.972 63.911 0.062 18171 334 1 . 1 1 58 58 PRO CB C 58 30.927 30.927 31.337 -0.411 18171 335 1 . 1 1 59 59 GLY N N 59 108.335 108.335 107.893 0.442 18171 336 1 . 1 1 59 59 GLY C C 59 174.930 174.930 173.843 1.087 18171 337 1 . 1 1 59 59 GLY CA C 59 45.384 45.384 45.157 0.227 18171 338 1 . 1 1 59 59 GLY H H 59 8.411 8.411 8.121 0.290 18171 339 1 . 1 1 60 60 MET N N 60 119.206 119.206 119.339 -0.133 18171 340 1 . 1 1 60 60 MET HA H 60 4.467 4.467 4.325 0.142 18171 341 1 . 1 1 60 60 MET C C 60 176.320 176.320 175.979 0.341 18171 342 1 . 1 1 60 60 MET CA C 60 56.395 56.395 55.898 0.497 18171 343 1 . 1 1 60 60 MET CB C 60 32.964 32.964 31.849 1.115 18171 344 1 . 1 1 60 60 MET H H 60 8.053 8.053 7.941 0.112 18171 345 1 . 1 1 61 61 THR N N 61 111.041 111.041 115.950 -4.909 18171 346 1 . 1 1 61 61 THR HA H 61 4.402 4.402 4.265 0.137 18171 347 1 . 1 1 61 61 THR C C 61 173.976 173.976 175.432 -1.456 18171 348 1 . 1 1 61 61 THR CA C 61 61.233 61.233 62.687 -1.454 18171 349 1 . 1 1 61 61 THR CB C 61 70.120 70.120 69.026 1.094 18171 350 1 . 1 1 61 61 THR H H 61 7.880 7.880 8.171 -0.291 18171 stop_ save_