data_18701 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18701 _Entry.PDB_ID 2LXX 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 18701 _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 ALA N N 2 126.155 126.155 119.390 6.765 18701 2 1 1 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.988 -0.646 18701 3 1 1 . 1 1 2 2 ALA C C 2 177.458 177.458 175.969 1.489 18701 4 1 1 . 1 1 2 2 ALA CA C 2 52.816 52.816 51.575 1.241 18701 5 1 1 . 1 1 2 2 ALA CB C 2 19.437 19.437 21.169 -1.732 18701 6 1 1 . 1 1 2 2 ALA H H 2 8.404 8.404 7.595 0.809 18701 7 1 1 . 1 1 3 3 SER N N 3 115.406 115.406 117.129 -1.723 18701 8 1 1 . 1 1 3 3 SER HA H 3 4.409 4.409 4.670 -0.261 18701 9 1 1 . 1 1 3 3 SER C C 3 174.739 174.739 174.538 0.201 18701 10 1 1 . 1 1 3 3 SER CA C 3 58.346 58.346 57.895 0.451 18701 11 1 1 . 1 1 3 3 SER CB C 3 64.207 64.207 64.162 0.045 18701 12 1 1 . 1 1 3 3 SER H H 3 8.283 8.283 8.656 -0.373 18701 13 1 1 . 1 1 4 4 GLY N N 4 110.853 110.853 111.256 -0.403 18701 14 1 1 . 1 1 4 4 GLY C C 4 173.502 173.502 173.791 -0.289 18701 15 1 1 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.889 0.189 18701 16 1 1 . 1 1 4 4 GLY H H 4 8.358 8.358 8.441 -0.083 18701 17 1 1 . 1 1 5 5 VAL N N 5 119.781 119.781 122.077 -2.296 18701 18 1 1 . 1 1 5 5 VAL HA H 5 3.883 3.883 3.834 0.049 18701 19 1 1 . 1 1 5 5 VAL C C 5 175.390 175.390 175.377 0.013 18701 20 1 1 . 1 1 5 5 VAL CA C 5 62.518 62.518 62.187 0.331 18701 21 1 1 . 1 1 5 5 VAL CB C 5 32.705 32.705 32.607 0.098 18701 22 1 1 . 1 1 5 5 VAL H H 5 7.836 7.836 7.804 0.032 18701 23 1 1 . 1 1 6 6 LYS N N 6 124.873 124.873 129.813 -4.940 18701 24 1 1 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.372 0.097 18701 25 1 1 . 1 1 6 6 LYS C C 6 175.278 175.278 175.316 -0.038 18701 26 1 1 . 1 1 6 6 LYS CA C 6 54.927 54.927 55.555 -0.628 18701 27 1 1 . 1 1 6 6 LYS CB C 6 34.577 34.577 33.296 1.281 18701 28 1 1 . 1 1 6 6 LYS H H 6 7.988 7.988 8.510 -0.522 18701 29 1 1 . 1 1 7 7 VAL N N 7 122.213 122.213 118.746 3.467 18701 30 1 1 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.273 -0.390 18701 31 1 1 . 1 1 7 7 VAL C C 7 175.756 175.756 175.145 0.611 18701 32 1 1 . 1 1 7 7 VAL CA C 7 62.334 62.334 59.917 2.417 18701 33 1 1 . 1 1 7 7 VAL CB C 7 32.054 32.054 32.827 -0.773 18701 34 1 1 . 1 1 7 7 VAL H H 7 8.757 8.757 8.231 0.526 18701 35 1 1 . 1 1 8 8 ASP N N 8 131.718 131.718 128.212 3.506 18701 36 1 1 . 1 1 8 8 ASP HA H 8 4.673 4.673 4.983 -0.310 18701 37 1 1 . 1 1 8 8 ASP C C 8 176.237 176.237 175.660 0.577 18701 38 1 1 . 1 1 8 8 ASP CA C 8 54.439 54.439 51.173 3.266 18701 39 1 1 . 1 1 8 8 ASP CB C 8 44.590 44.590 42.883 1.707 18701 40 1 1 . 1 1 8 8 ASP H H 8 8.820 8.820 8.099 0.721 18701 41 1 1 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.415 -0.031 18701 42 1 1 . 1 1 9 9 PRO C C 9 177.535 177.535 178.320 -0.785 18701 43 1 1 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.884 0.625 18701 44 1 1 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.105 -0.051 18701 45 1 1 . 1 1 10 10 SER N N 10 113.842 113.842 115.464 -1.622 18701 46 1 1 . 1 1 10 10 SER HA H 10 4.265 4.265 4.271 -0.006 18701 47 1 1 . 1 1 10 10 SER C C 10 177.666 177.666 176.714 0.952 18701 48 1 1 . 1 1 10 10 SER CA C 10 61.541 61.541 62.233 -0.692 18701 49 1 1 . 1 1 10 10 SER CB C 10 62.660 62.660 63.096 -0.436 18701 50 1 1 . 1 1 10 10 SER H H 10 8.811 8.811 8.056 0.755 18701 51 1 1 . 1 1 11 11 CYS N N 11 121.231 121.231 119.181 2.050 18701 52 1 1 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.456 -0.310 18701 53 1 1 . 1 1 11 11 CYS C C 11 176.211 176.211 176.793 -0.582 18701 54 1 1 . 1 1 11 11 CYS CA C 11 62.986 62.986 61.524 1.462 18701 55 1 1 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.479 0.017 18701 56 1 1 . 1 1 11 11 CYS H H 11 8.459 8.459 9.345 -0.886 18701 57 1 1 . 1 1 12 12 LYS N N 12 119.862 119.862 122.246 -2.384 18701 58 1 1 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.117 -0.171 18701 59 1 1 . 1 1 12 12 LYS C C 12 177.687 177.687 178.437 -0.750 18701 60 1 1 . 1 1 12 12 LYS CA C 12 59.241 59.241 59.028 0.213 18701 61 1 1 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.860 0.601 18701 62 1 1 . 1 1 12 12 LYS H H 12 7.615 7.615 7.627 -0.012 18701 63 1 1 . 1 1 13 13 ASN N N 13 116.871 116.871 118.339 -1.468 18701 64 1 1 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.513 -0.045 18701 65 1 1 . 1 1 13 13 ASN C C 13 177.297 177.297 177.340 -0.043 18701 66 1 1 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.104 0.533 18701 67 1 1 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.240 0.244 18701 68 1 1 . 1 1 13 13 ASN H H 13 7.489 7.489 8.375 -0.886 18701 69 1 1 . 1 1 14 14 ALA N N 14 119.990 119.990 122.300 -2.310 18701 70 1 1 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.117 0.124 18701 71 1 1 . 1 1 14 14 ALA C C 14 179.077 179.077 178.983 0.094 18701 72 1 1 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.807 0.771 18701 73 1 1 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.445 0.016 18701 74 1 1 . 1 1 14 14 ALA H H 14 8.054 8.054 7.988 0.066 18701 75 1 1 . 1 1 15 15 TYR N N 15 118.280 118.280 120.248 -1.968 18701 76 1 1 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.189 -0.138 18701 77 1 1 . 1 1 15 15 TYR C C 15 177.123 177.123 177.362 -0.239 18701 78 1 1 . 1 1 15 15 TYR CA C 15 62.741 62.741 62.363 0.378 18701 79 1 1 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.380 1.081 18701 80 1 1 . 1 1 15 15 TYR H H 15 8.380 8.380 8.009 0.371 18701 81 1 1 . 1 1 16 16 ASP N N 16 121.008 121.008 120.018 0.990 18701 82 1 1 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.322 -0.020 18701 83 1 1 . 1 1 16 16 ASP C C 16 179.185 179.185 178.782 0.403 18701 84 1 1 . 1 1 16 16 ASP CA C 16 58.102 58.102 58.206 -0.104 18701 85 1 1 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.675 -0.318 18701 86 1 1 . 1 1 16 16 ASP H H 16 8.722 8.722 7.941 0.781 18701 87 1 1 . 1 1 17 17 LEU N N 17 119.368 119.368 119.618 -0.250 18701 88 1 1 . 1 1 17 17 LEU HA H 17 3.867 3.867 3.974 -0.107 18701 89 1 1 . 1 1 17 17 LEU C C 17 178.708 178.708 178.731 -0.023 18701 90 1 1 . 1 1 17 17 LEU CA C 17 58.102 58.102 58.223 -0.121 18701 91 1 1 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.835 0.231 18701 92 1 1 . 1 1 17 17 LEU H H 17 7.477 7.477 7.902 -0.425 18701 93 1 1 . 1 1 18 18 LEU N N 18 121.503 121.503 117.301 4.202 18701 94 1 1 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.609 -0.511 18701 95 1 1 . 1 1 18 18 LEU C C 18 176.580 176.580 179.198 -2.618 18701 96 1 1 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.811 2.091 18701 97 1 1 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.109 2.516 18701 98 1 1 . 1 1 18 18 LEU H H 18 7.762 7.762 8.440 -0.678 18701 99 1 1 . 1 1 19 19 HIS N N 19 116.605 116.605 118.914 -2.309 18701 100 1 1 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.631 -0.890 18701 101 1 1 . 1 1 19 19 HIS C C 19 174.627 174.627 176.638 -2.011 18701 102 1 1 . 1 1 19 19 HIS CA C 19 58.904 58.904 59.441 -0.537 18701 103 1 1 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.091 -0.073 18701 104 1 1 . 1 1 19 19 HIS H H 19 8.983 8.983 8.722 0.261 18701 105 1 1 . 1 1 20 20 ASN N N 20 112.497 112.497 115.713 -3.216 18701 106 1 1 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.538 0.027 18701 107 1 1 . 1 1 20 20 ASN C C 20 176.624 176.624 176.475 0.149 18701 108 1 1 . 1 1 20 20 ASN CA C 20 54.195 54.195 54.791 -0.597 18701 109 1 1 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.810 -1.230 18701 110 1 1 . 1 1 20 20 ASN H H 20 8.308 8.308 8.162 0.146 18701 111 1 1 . 1 1 21 21 LYS N N 21 113.544 113.544 118.022 -4.478 18701 112 1 1 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.219 0.189 18701 113 1 1 . 1 1 21 21 LYS C C 21 175.669 175.669 175.747 -0.078 18701 114 1 1 . 1 1 21 21 LYS CA C 21 55.291 55.291 55.453 -0.162 18701 115 1 1 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.369 0.906 18701 116 1 1 . 1 1 21 21 LYS H H 21 6.621 6.621 7.703 -1.082 18701 117 1 1 . 1 1 22 22 HIS N N 22 115.701 115.701 111.154 4.547 18701 118 1 1 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.395 0.324 18701 119 1 1 . 1 1 22 22 HIS C C 22 174.670 174.670 174.838 -0.168 18701 120 1 1 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.477 -0.145 18701 121 1 1 . 1 1 22 22 HIS CB C 22 25.721 25.721 26.168 -0.447 18701 122 1 1 . 1 1 22 22 HIS H H 22 6.838 6.838 8.155 -1.317 18701 123 1 1 . 1 1 23 23 GLN N N 23 114.330 114.330 117.005 -2.675 18701 124 1 1 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.965 0.050 18701 125 1 1 . 1 1 23 23 GLN C C 23 174.041 174.041 174.723 -0.682 18701 126 1 1 . 1 1 23 23 GLN CA C 23 56.311 56.311 57.901 -1.591 18701 127 1 1 . 1 1 23 23 GLN CB C 23 30.685 30.685 30.149 0.536 18701 128 1 1 . 1 1 23 23 GLN H H 23 8.028 8.028 8.200 -0.172 18701 129 1 1 . 1 1 24 24 HIS N N 24 111.043 111.043 113.766 -2.723 18701 130 1 1 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.843 -0.697 18701 131 1 1 . 1 1 24 24 HIS C C 24 175.083 175.083 174.800 0.283 18701 132 1 1 . 1 1 24 24 HIS CA C 24 53.305 53.305 54.573 -1.268 18701 133 1 1 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.870 -0.025 18701 134 1 1 . 1 1 24 24 HIS H H 24 6.670 6.670 7.413 -0.743 18701 135 1 1 . 1 1 25 25 SER N N 25 115.307 115.307 115.175 0.132 18701 136 1 1 . 1 1 25 25 SER HA H 25 4.600 4.600 4.708 -0.108 18701 137 1 1 . 1 1 25 25 SER C C 25 173.368 173.368 173.778 -0.410 18701 138 1 1 . 1 1 25 25 SER CA C 25 59.648 59.648 59.528 0.120 18701 139 1 1 . 1 1 25 25 SER CB C 25 64.532 64.532 65.806 -1.275 18701 140 1 1 . 1 1 25 25 SER H H 25 7.591 7.591 8.871 -1.280 18701 141 1 1 . 1 1 26 26 TYR N N 26 111.318 111.318 118.046 -6.728 18701 142 1 1 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.769 -0.415 18701 143 1 1 . 1 1 26 26 TYR C C 26 173.411 173.411 173.439 -0.028 18701 144 1 1 . 1 1 26 26 TYR CA C 26 56.392 56.392 55.535 0.857 18701 145 1 1 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.818 -0.810 18701 146 1 1 . 1 1 26 26 TYR H H 26 6.635 6.635 7.280 -0.645 18701 147 1 1 . 1 1 27 27 ILE N N 27 119.710 119.710 121.471 -1.761 18701 148 1 1 . 1 1 27 27 ILE HA H 27 4.529 4.529 5.007 -0.478 18701 149 1 1 . 1 1 27 27 ILE C C 27 174.323 174.323 173.784 0.539 18701 150 1 1 . 1 1 27 27 ILE CA C 27 60.706 60.706 58.836 1.871 18701 151 1 1 . 1 1 27 27 ILE CB C 27 44.020 44.020 41.621 2.398 18701 152 1 1 . 1 1 27 27 ILE H H 27 9.191 9.191 8.942 0.249 18701 153 1 1 . 1 1 28 28 ILE N N 28 125.249 125.249 127.878 -2.629 18701 154 1 1 . 1 1 28 28 ILE HA H 28 4.804 4.804 5.140 -0.336 18701 155 1 1 . 1 1 28 28 ILE C C 28 174.757 174.757 175.184 -0.427 18701 156 1 1 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.016 0.935 18701 157 1 1 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.594 0.519 18701 158 1 1 . 1 1 28 28 ILE H H 28 9.049 9.049 9.146 -0.097 18701 159 1 1 . 1 1 29 29 PHE N N 29 126.153 126.153 125.286 0.867 18701 160 1 1 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.797 -0.072 18701 161 1 1 . 1 1 29 29 PHE C C 29 174.193 174.193 175.154 -0.961 18701 162 1 1 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.375 -0.552 18701 163 1 1 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.581 0.299 18701 164 1 1 . 1 1 29 29 PHE H H 29 9.514 9.514 9.598 -0.084 18701 165 1 1 . 1 1 30 30 LYS N N 30 116.531 116.531 118.759 -2.228 18701 166 1 1 . 1 1 30 30 LYS HA H 30 5.151 5.151 5.015 0.136 18701 167 1 1 . 1 1 30 30 LYS C C 30 173.411 173.411 175.173 -1.762 18701 168 1 1 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.612 -0.336 18701 169 1 1 . 1 1 30 30 LYS CB C 30 37.182 37.182 35.607 1.575 18701 170 1 1 . 1 1 30 30 LYS H H 30 8.950 8.950 9.289 -0.339 18701 171 1 1 . 1 1 31 31 ILE N N 31 120.757 120.757 121.822 -1.065 18701 172 1 1 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.592 0.092 18701 173 1 1 . 1 1 31 31 ILE C C 31 174.714 174.714 176.144 -1.430 18701 174 1 1 . 1 1 31 31 ILE CA C 31 61.846 61.846 62.013 -0.167 18701 175 1 1 . 1 1 31 31 ILE CB C 31 37.508 37.508 37.587 -0.080 18701 176 1 1 . 1 1 31 31 ILE H H 31 8.256 8.256 8.912 -0.656 18701 177 1 1 . 1 1 32 32 ASP N N 32 130.811 130.811 128.621 2.190 18701 178 1 1 . 1 1 32 32 ASP HA H 32 4.445 4.445 5.019 -0.574 18701 179 1 1 . 1 1 32 32 ASP CA C 32 53.663 53.663 52.310 1.353 18701 180 1 1 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.978 -6.489 18701 181 1 1 . 1 1 32 32 ASP H H 32 9.441 9.441 9.189 0.252 18701 182 1 1 . 1 1 33 33 LYS HA H 33 4.314 4.314 3.923 0.391 18701 183 1 1 . 1 1 33 33 LYS C C 33 174.759 174.759 175.872 -1.113 18701 184 1 1 . 1 1 33 33 LYS CA C 33 56.230 56.230 57.069 -0.840 18701 185 1 1 . 1 1 33 33 LYS CB C 33 29.205 29.205 31.916 -2.711 18701 186 1 1 . 1 1 34 34 ASN N N 34 117.759 117.759 119.207 -1.448 18701 187 1 1 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.612 0.072 18701 188 1 1 . 1 1 34 34 ASN C C 34 174.736 174.736 175.982 -1.246 18701 189 1 1 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.094 -0.943 18701 190 1 1 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.348 1.276 18701 191 1 1 . 1 1 34 34 ASN H H 34 8.573 8.573 8.652 -0.079 18701 192 1 1 . 1 1 35 35 ASP N N 35 115.713 115.713 118.838 -3.125 18701 193 1 1 . 1 1 35 35 ASP C C 35 175.586 175.586 175.155 0.431 18701 194 1 1 . 1 1 35 35 ASP CA C 35 54.043 54.043 53.901 0.141 18701 195 1 1 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.649 1.442 18701 196 1 1 . 1 1 35 35 ASP H H 35 8.134 8.134 8.054 0.080 18701 197 1 1 . 1 1 36 36 THR HA H 36 4.565 4.565 3.921 0.644 18701 198 1 1 . 1 1 36 36 THR C C 36 175.517 175.517 172.758 2.759 18701 199 1 1 . 1 1 36 36 THR CA C 36 62.579 62.579 63.488 -0.909 18701 200 1 1 . 1 1 36 36 THR CB C 36 71.858 71.858 66.476 5.382 18701 201 1 1 . 1 1 37 37 ALA N N 37 124.761 124.761 127.786 -3.025 18701 202 1 1 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.304 0.194 18701 203 1 1 . 1 1 37 37 ALA C C 37 175.300 175.300 175.970 -0.670 18701 204 1 1 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.211 1.270 18701 205 1 1 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.390 0.222 18701 206 1 1 . 1 1 37 37 ALA H H 37 8.054 8.054 8.882 -0.828 18701 207 1 1 . 1 1 38 38 ILE N N 38 121.171 121.171 125.597 -4.426 18701 208 1 1 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.587 0.080 18701 209 1 1 . 1 1 38 38 ILE C C 38 174.301 174.301 175.024 -0.723 18701 210 1 1 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.548 -1.109 18701 211 1 1 . 1 1 38 38 ILE CB C 38 39.217 39.217 37.825 1.392 18701 212 1 1 . 1 1 38 38 ILE H H 38 8.623 8.623 8.977 -0.354 18701 213 1 1 . 1 1 39 39 VAL N N 39 118.121 118.121 126.253 -8.132 18701 214 1 1 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.662 0.011 18701 215 1 1 . 1 1 39 39 VAL C C 39 174.974 174.974 174.401 0.573 18701 216 1 1 . 1 1 39 39 VAL CA C 39 59.078 59.078 58.754 0.324 18701 217 1 1 . 1 1 39 39 VAL CB C 39 35.473 35.473 37.031 -1.558 18701 218 1 1 . 1 1 39 39 VAL H H 39 9.083 9.083 8.925 0.158 18701 219 1 1 . 1 1 40 40 VAL N N 40 121.315 121.315 122.653 -1.338 18701 220 1 1 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.049 -0.261 18701 221 1 1 . 1 1 40 40 VAL C C 40 175.300 175.300 176.320 -1.020 18701 222 1 1 . 1 1 40 40 VAL CA C 40 63.800 63.800 64.570 -0.771 18701 223 1 1 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.433 1.192 18701 224 1 1 . 1 1 40 40 VAL H H 40 8.345 8.345 8.849 -0.504 18701 225 1 1 . 1 1 41 41 GLU N N 41 130.920 130.920 130.638 0.282 18701 226 1 1 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.445 -0.036 18701 227 1 1 . 1 1 41 41 GLU C C 41 175.647 175.647 175.721 -0.074 18701 228 1 1 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.442 -0.236 18701 229 1 1 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.532 1.984 18701 230 1 1 . 1 1 41 41 GLU H H 41 9.388 9.388 9.164 0.224 18701 231 1 1 . 1 1 42 42 LYS N N 42 115.836 115.836 119.115 -3.279 18701 232 1 1 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.468 0.186 18701 233 1 1 . 1 1 42 42 LYS C C 42 173.715 173.715 174.127 -0.412 18701 234 1 1 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.547 -1.027 18701 235 1 1 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.725 1.131 18701 236 1 1 . 1 1 42 42 LYS H H 42 7.523 7.523 7.559 -0.036 18701 237 1 1 . 1 1 43 43 VAL N N 43 118.472 118.472 122.153 -3.681 18701 238 1 1 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.797 -0.352 18701 239 1 1 . 1 1 43 43 VAL C C 43 174.931 174.931 174.928 0.003 18701 240 1 1 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.340 0.307 18701 241 1 1 . 1 1 43 43 VAL CB C 43 34.170 34.170 33.952 0.218 18701 242 1 1 . 1 1 43 43 VAL H H 43 8.315 8.315 8.183 0.132 18701 243 1 1 . 1 1 44 44 GLY N N 44 112.479 112.479 110.613 1.866 18701 244 1 1 . 1 1 44 44 GLY C C 44 174.149 174.149 173.410 0.739 18701 245 1 1 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.261 0.123 18701 246 1 1 . 1 1 44 44 GLY H H 44 7.953 7.953 8.221 -0.268 18701 247 1 1 . 1 1 45 45 GLU N N 45 122.999 122.999 124.138 -1.139 18701 248 1 1 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.307 0.112 18701 249 1 1 . 1 1 45 45 GLU C C 45 175.365 175.365 177.949 -2.584 18701 250 1 1 . 1 1 45 45 GLU CA C 45 56.392 56.392 56.629 -0.237 18701 251 1 1 . 1 1 45 45 GLU CB C 45 30.670 30.670 29.965 0.705 18701 252 1 1 . 1 1 45 45 GLU H H 45 8.949 8.949 8.632 0.317 18701 253 1 1 . 1 1 48 48 ALA N N 48 124.687 124.687 128.886 -4.199 18701 254 1 1 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.772 -0.351 18701 255 1 1 . 1 1 48 48 ALA C C 48 176.210 176.210 174.912 1.298 18701 256 1 1 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.486 2.022 18701 257 1 1 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.791 -2.144 18701 258 1 1 . 1 1 48 48 ALA H H 48 7.627 7.627 7.697 -0.070 18701 259 1 1 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.325 0.324 18701 260 1 1 . 1 1 49 49 PRO C C 49 177.535 177.535 176.954 0.581 18701 261 1 1 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.443 0.054 18701 262 1 1 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.491 -0.355 18701 263 1 1 . 1 1 50 50 TYR N N 50 127.091 127.091 121.665 5.426 18701 264 1 1 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.064 -0.003 18701 265 1 1 . 1 1 50 50 TYR C C 50 177.427 177.427 178.184 -0.757 18701 266 1 1 . 1 1 50 50 TYR CA C 50 62.660 62.660 62.037 0.623 18701 267 1 1 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.507 0.733 18701 268 1 1 . 1 1 50 50 TYR H H 50 9.065 9.065 8.470 0.595 18701 269 1 1 . 1 1 51 51 ALA N N 51 117.547 117.547 121.641 -4.094 18701 270 1 1 . 1 1 51 51 ALA HA H 51 4.075 4.075 4.108 -0.033 18701 271 1 1 . 1 1 51 51 ALA C C 51 179.836 179.836 179.777 0.059 18701 272 1 1 . 1 1 51 51 ALA CA C 51 55.009 55.009 55.361 -0.352 18701 273 1 1 . 1 1 51 51 ALA CB C 51 19.030 19.030 18.018 1.012 18701 274 1 1 . 1 1 51 51 ALA H H 51 8.910 8.910 8.518 0.392 18701 275 1 1 . 1 1 52 52 GLU N N 52 117.688 117.688 119.355 -1.667 18701 276 1 1 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.043 -0.017 18701 277 1 1 . 1 1 52 52 GLU C C 52 177.970 177.970 178.883 -0.913 18701 278 1 1 . 1 1 52 52 GLU CA C 52 59.241 59.241 59.095 0.146 18701 279 1 1 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.434 0.341 18701 280 1 1 . 1 1 52 52 GLU H H 52 7.708 7.708 7.753 -0.045 18701 281 1 1 . 1 1 53 53 PHE N N 53 120.303 120.303 121.495 -1.192 18701 282 1 1 . 1 1 53 53 PHE HA H 53 2.974 2.974 3.916 -0.942 18701 283 1 1 . 1 1 53 53 PHE C C 53 175.582 175.582 177.004 -1.422 18701 284 1 1 . 1 1 53 53 PHE CA C 53 59.892 59.892 61.230 -1.338 18701 285 1 1 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.880 -2.186 18701 286 1 1 . 1 1 53 53 PHE H H 53 6.778 6.778 7.997 -1.219 18701 287 1 1 . 1 1 54 54 VAL N N 54 117.631 117.631 118.265 -0.634 18701 288 1 1 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.347 -0.996 18701 289 1 1 . 1 1 54 54 VAL C C 54 177.101 177.101 178.161 -1.060 18701 290 1 1 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.129 0.764 18701 291 1 1 . 1 1 54 54 VAL CB C 54 31.484 31.484 30.869 0.615 18701 292 1 1 . 1 1 54 54 VAL H H 54 7.104 7.104 7.619 -0.515 18701 293 1 1 . 1 1 55 55 GLU N N 55 118.253 118.253 120.146 -1.893 18701 294 1 1 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.895 -0.155 18701 295 1 1 . 1 1 55 55 GLU C C 55 178.859 178.859 179.299 -0.440 18701 296 1 1 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.904 -0.988 18701 297 1 1 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.159 0.129 18701 298 1 1 . 1 1 55 55 GLU H H 55 7.592 7.592 8.263 -0.671 18701 299 1 1 . 1 1 56 56 GLU N N 56 118.908 118.908 118.161 0.747 18701 300 1 1 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.054 -0.207 18701 301 1 1 . 1 1 56 56 GLU C C 56 179.272 179.272 178.981 0.291 18701 302 1 1 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.622 0.212 18701 303 1 1 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.435 -0.800 18701 304 1 1 . 1 1 56 56 GLU H H 56 8.002 8.002 8.379 -0.377 18701 305 1 1 . 1 1 57 57 MET N N 57 117.937 117.937 118.628 -0.691 18701 306 1 1 . 1 1 57 57 MET HA H 57 3.799 3.799 4.152 -0.353 18701 307 1 1 . 1 1 57 57 MET C C 57 177.514 177.514 177.608 -0.094 18701 308 1 1 . 1 1 57 57 MET CA C 57 57.044 57.044 57.855 -0.811 18701 309 1 1 . 1 1 57 57 MET CB C 57 30.263 30.263 32.645 -2.381 18701 310 1 1 . 1 1 57 57 MET H H 57 7.838 7.838 7.267 0.571 18701 311 1 1 . 1 1 58 58 LYS N N 58 119.343 119.343 120.099 -0.756 18701 312 1 1 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.796 -0.177 18701 313 1 1 . 1 1 58 58 LYS C C 58 178.339 178.339 178.729 -0.390 18701 314 1 1 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.637 0.581 18701 315 1 1 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.250 0.537 18701 316 1 1 . 1 1 58 58 LYS H H 58 8.341 8.341 8.287 0.054 18701 317 1 1 . 1 1 59 59 LYS N N 59 114.611 114.611 114.855 -0.244 18701 318 1 1 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.133 -0.239 18701 319 1 1 . 1 1 59 59 LYS C C 59 178.404 178.404 178.664 -0.260 18701 320 1 1 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.562 0.354 18701 321 1 1 . 1 1 59 59 LYS CB C 59 32.787 32.787 32.060 0.727 18701 322 1 1 . 1 1 59 59 LYS H H 59 7.126 7.126 7.583 -0.457 18701 323 1 1 . 1 1 60 60 LEU N N 60 117.334 117.334 114.960 2.374 18701 324 1 1 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.471 -0.338 18701 325 1 1 . 1 1 60 60 LEU C C 60 179.619 179.619 177.505 2.114 18701 326 1 1 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.579 0.139 18701 327 1 1 . 1 1 60 60 LEU CB C 60 43.124 43.124 41.909 1.215 18701 328 1 1 . 1 1 60 60 LEU H H 60 7.343 7.343 7.513 -0.170 18701 329 1 1 . 1 1 61 61 VAL N N 61 108.515 108.515 118.853 -10.338 18701 330 1 1 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.818 0.626 18701 331 1 1 . 1 1 61 61 VAL C C 61 177.753 177.753 177.427 0.326 18701 332 1 1 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.541 -4.428 18701 333 1 1 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.919 0.054 18701 334 1 1 . 1 1 61 61 VAL H H 61 7.730 7.730 7.278 0.452 18701 335 1 1 . 1 1 62 62 GLU N N 62 123.907 123.907 119.207 4.700 18701 336 1 1 . 1 1 62 62 GLU HA H 62 4.026 4.026 3.962 0.064 18701 337 1 1 . 1 1 62 62 GLU C C 62 176.602 176.602 177.200 -0.598 18701 338 1 1 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.561 0.680 18701 339 1 1 . 1 1 62 62 GLU CB C 62 29.205 29.205 28.938 0.267 18701 340 1 1 . 1 1 62 62 GLU H H 62 7.583 7.583 7.936 -0.353 18701 341 1 1 . 1 1 63 63 ASP N N 63 118.203 118.203 119.743 -1.540 18701 342 1 1 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.444 -0.070 18701 343 1 1 . 1 1 63 63 ASP C C 63 177.557 177.557 176.649 0.908 18701 344 1 1 . 1 1 63 63 ASP CA C 63 54.927 54.927 55.013 -0.086 18701 345 1 1 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.340 -1.309 18701 346 1 1 . 1 1 63 63 ASP H H 63 8.584 8.584 7.951 0.633 18701 347 1 1 . 1 1 64 64 GLY N N 64 107.534 107.534 107.022 0.512 18701 348 1 1 . 1 1 64 64 GLY C C 64 173.281 173.281 172.800 0.481 18701 349 1 1 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.216 1.101 18701 350 1 1 . 1 1 64 64 GLY H H 64 8.036 8.036 7.668 0.368 18701 351 1 1 . 1 1 65 65 LYS N N 65 115.632 115.632 122.710 -7.078 18701 352 1 1 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.296 -0.090 18701 353 1 1 . 1 1 65 65 LYS C C 65 176.233 176.233 175.492 0.741 18701 354 1 1 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.803 0.669 18701 355 1 1 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.451 2.600 18701 356 1 1 . 1 1 65 65 LYS H H 65 8.197 8.197 8.415 -0.218 18701 357 1 1 . 1 1 66 66 GLU N N 66 118.786 118.786 121.475 -2.689 18701 358 1 1 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.407 -0.153 18701 359 1 1 . 1 1 66 66 GLU C C 66 174.063 174.063 175.650 -1.587 18701 360 1 1 . 1 1 66 66 GLU CA C 66 55.823 55.823 54.858 0.965 18701 361 1 1 . 1 1 66 66 GLU CB C 66 33.031 33.031 31.385 1.646 18701 362 1 1 . 1 1 66 66 GLU H H 66 7.775 7.775 7.886 -0.111 18701 363 1 1 . 1 1 67 67 CYS N N 67 114.372 114.372 120.251 -5.879 18701 364 1 1 . 1 1 67 67 CYS HA H 67 4.206 4.206 5.326 -1.120 18701 365 1 1 . 1 1 67 67 CYS C C 67 175.517 175.517 174.230 1.287 18701 366 1 1 . 1 1 67 67 CYS CA C 67 56.431 56.431 56.726 -0.295 18701 367 1 1 . 1 1 67 67 CYS CB C 67 29.465 29.465 29.604 -0.139 18701 368 1 1 . 1 1 67 67 CYS H H 67 7.586 7.586 8.404 -0.818 18701 369 1 1 . 1 1 68 68 ARG N N 68 117.544 117.544 124.144 -6.600 18701 370 1 1 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.901 -0.495 18701 371 1 1 . 1 1 68 68 ARG C C 68 176.624 176.624 174.867 1.757 18701 372 1 1 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.306 1.028 18701 373 1 1 . 1 1 68 68 ARG CB C 68 32.376 32.376 34.416 -2.040 18701 374 1 1 . 1 1 68 68 ARG H H 68 7.682 7.682 9.041 -1.359 18701 375 1 1 . 1 1 69 69 TYR N N 69 115.996 115.996 121.723 -5.727 18701 376 1 1 . 1 1 69 69 TYR HA H 69 5.819 5.819 4.630 1.189 18701 377 1 1 . 1 1 69 69 TYR C C 69 175.300 175.300 174.938 0.362 18701 378 1 1 . 1 1 69 69 TYR CA C 69 54.379 54.379 57.286 -2.907 18701 379 1 1 . 1 1 69 69 TYR CB C 69 41.998 41.998 40.648 1.351 18701 380 1 1 . 1 1 69 69 TYR H H 69 8.139 8.139 9.032 -0.893 18701 381 1 1 . 1 1 70 70 ALA N N 70 121.451 121.451 124.521 -3.070 18701 382 1 1 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.457 0.279 18701 383 1 1 . 1 1 70 70 ALA C C 70 174.367 174.367 175.056 -0.689 18701 384 1 1 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.631 1.827 18701 385 1 1 . 1 1 70 70 ALA CB C 70 24.158 24.158 22.416 1.742 18701 386 1 1 . 1 1 70 70 ALA H H 70 9.334 9.334 8.352 0.982 18701 387 1 1 . 1 1 71 71 ALA N N 71 121.815 121.815 128.272 -6.457 18701 388 1 1 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.731 0.137 18701 389 1 1 . 1 1 71 71 ALA C C 71 175.495 175.495 175.438 0.057 18701 390 1 1 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.293 0.798 18701 391 1 1 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.131 -0.577 18701 392 1 1 . 1 1 71 71 ALA H H 71 9.059 9.059 9.187 -0.128 18701 393 1 1 . 1 1 72 72 VAL N N 72 120.963 120.963 125.454 -4.491 18701 394 1 1 . 1 1 72 72 VAL HA H 72 4.505 4.505 4.975 -0.470 18701 395 1 1 . 1 1 72 72 VAL C C 72 173.194 173.194 173.721 -0.527 18701 396 1 1 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.603 0.673 18701 397 1 1 . 1 1 72 72 VAL CB C 72 35.066 35.066 36.461 -1.395 18701 398 1 1 . 1 1 72 72 VAL H H 72 8.665 8.665 8.396 0.269 18701 399 1 1 . 1 1 73 73 ASP N N 73 128.360 128.360 130.287 -1.927 18701 400 1 1 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.001 -0.030 18701 401 1 1 . 1 1 73 73 ASP C C 73 175.256 175.256 174.249 1.007 18701 402 1 1 . 1 1 73 73 ASP CA C 73 53.891 53.891 53.549 0.342 18701 403 1 1 . 1 1 73 73 ASP CB C 73 41.659 41.659 41.731 -0.072 18701 404 1 1 . 1 1 73 73 ASP H H 73 8.896 8.896 8.875 0.021 18701 405 1 1 . 1 1 74 74 VAL N N 74 127.568 127.568 123.943 3.625 18701 406 1 1 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.397 -0.203 18701 407 1 1 . 1 1 74 74 VAL C C 74 173.846 173.846 174.037 -0.191 18701 408 1 1 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.794 2.052 18701 409 1 1 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.837 -2.155 18701 410 1 1 . 1 1 74 74 VAL H H 74 9.232 9.232 7.770 1.462 18701 411 1 1 . 1 1 75 75 GLU N N 75 126.833 126.833 128.111 -1.278 18701 412 1 1 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.620 0.219 18701 413 1 1 . 1 1 75 75 GLU C C 75 175.799 175.799 175.008 0.791 18701 414 1 1 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.522 1.056 18701 415 1 1 . 1 1 75 75 GLU CB C 75 31.647 31.647 29.224 2.422 18701 416 1 1 . 1 1 75 75 GLU H H 75 8.560 8.560 8.539 0.021 18701 417 1 1 . 1 1 76 76 VAL N N 76 123.421 123.421 125.862 -2.441 18701 418 1 1 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.391 0.041 18701 419 1 1 . 1 1 76 76 VAL C C 76 174.562 174.562 175.207 -0.645 18701 420 1 1 . 1 1 76 76 VAL CA C 76 60.462 60.462 60.606 -0.144 18701 421 1 1 . 1 1 76 76 VAL CB C 76 34.822 34.822 34.274 0.548 18701 422 1 1 . 1 1 76 76 VAL H H 76 9.032 9.032 7.653 1.379 18701 423 1 1 . 1 1 77 77 THR N N 77 120.606 120.606 118.016 2.590 18701 424 1 1 . 1 1 77 77 THR HA H 77 4.876 4.876 4.984 -0.108 18701 425 1 1 . 1 1 77 77 THR C C 77 173.998 173.998 173.275 0.723 18701 426 1 1 . 1 1 77 77 THR CA C 77 62.172 62.172 59.393 2.779 18701 427 1 1 . 1 1 77 77 THR CB C 77 70.067 70.067 70.209 -0.142 18701 428 1 1 . 1 1 77 77 THR H H 77 8.402 8.402 8.113 0.289 18701 429 1 1 . 1 1 78 78 VAL N N 78 122.942 122.942 121.145 1.797 18701 430 1 1 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.683 -0.299 18701 431 1 1 . 1 1 78 78 VAL C C 78 174.605 174.605 173.948 0.657 18701 432 1 1 . 1 1 78 78 VAL CA C 78 60.218 60.218 59.051 1.167 18701 433 1 1 . 1 1 78 78 VAL CB C 78 34.740 34.740 34.684 0.056 18701 434 1 1 . 1 1 78 78 VAL H H 78 8.781 8.781 8.895 -0.114 18701 435 1 1 . 1 1 79 79 GLN N N 79 123.562 123.562 120.984 2.578 18701 436 1 1 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.623 -0.243 18701 437 1 1 . 1 1 79 79 GLN C C 79 175.647 175.647 174.540 1.107 18701 438 1 1 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.290 0.288 18701 439 1 1 . 1 1 79 79 GLN CB C 79 29.531 29.531 29.387 0.144 18701 440 1 1 . 1 1 79 79 GLN H H 79 8.527 8.527 8.582 -0.055 18701 441 1 1 . 1 1 80 80 ARG N N 80 125.030 125.030 123.228 1.802 18701 442 1 1 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.592 -0.315 18701 443 1 1 . 1 1 80 80 ARG C C 80 175.864 175.864 174.925 0.939 18701 444 1 1 . 1 1 80 80 ARG CA C 80 55.904 55.904 54.264 1.641 18701 445 1 1 . 1 1 80 80 ARG CB C 80 31.322 31.322 32.523 -1.201 18701 446 1 1 . 1 1 80 80 ARG H H 80 8.516 8.516 8.463 0.053 18701 447 1 1 . 1 1 81 81 GLN N N 81 122.473 122.473 119.828 2.645 18701 448 1 1 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.254 -0.049 18701 449 1 1 . 1 1 81 81 GLN C C 81 176.776 176.776 176.965 -0.189 18701 450 1 1 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.081 -0.456 18701 451 1 1 . 1 1 81 81 GLN CB C 81 28.880 28.880 29.393 -0.513 18701 452 1 1 . 1 1 81 81 GLN H H 81 8.609 8.609 8.580 0.029 18701 453 1 1 . 1 1 82 82 GLY N N 82 112.685 112.685 108.421 4.264 18701 454 1 1 . 1 1 82 82 GLY C C 82 173.498 173.498 172.974 0.524 18701 455 1 1 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.854 0.875 18701 456 1 1 . 1 1 82 82 GLY H H 82 8.766 8.766 8.666 0.100 18701 457 1 1 . 1 1 83 83 ALA N N 83 123.093 123.093 123.856 -0.763 18701 458 1 1 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.536 -0.127 18701 459 1 1 . 1 1 83 83 ALA C C 83 176.971 176.971 175.108 1.863 18701 460 1 1 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.074 1.091 18701 461 1 1 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.618 -0.367 18701 462 1 1 . 1 1 83 83 ALA H H 83 7.965 7.965 7.811 0.154 18701 463 1 1 . 1 1 84 84 GLU N N 84 118.929 118.929 122.153 -3.224 18701 464 1 1 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.114 0.140 18701 465 1 1 . 1 1 84 84 GLU C C 84 176.928 176.928 176.000 0.928 18701 466 1 1 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.466 0.578 18701 467 1 1 . 1 1 84 84 GLU CB C 84 30.426 30.426 28.250 2.176 18701 468 1 1 . 1 1 84 84 GLU H H 84 8.390 8.390 8.629 -0.239 18701 469 1 1 . 1 1 85 85 GLY N N 85 109.042 109.042 112.321 -3.279 18701 470 1 1 . 1 1 85 85 GLY C C 85 173.607 173.607 173.044 0.563 18701 471 1 1 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.994 -0.997 18701 472 1 1 . 1 1 85 85 GLY H H 85 8.220 8.220 8.544 -0.324 18701 473 1 1 . 1 1 86 86 THR N N 86 112.014 112.014 113.675 -1.661 18701 474 1 1 . 1 1 86 86 THR HA H 86 4.792 4.792 4.882 -0.090 18701 475 1 1 . 1 1 86 86 THR C C 86 174.280 174.280 173.374 0.906 18701 476 1 1 . 1 1 86 86 THR CA C 86 61.113 61.113 60.449 0.664 18701 477 1 1 . 1 1 86 86 THR CB C 86 71.532 71.532 70.035 1.497 18701 478 1 1 . 1 1 86 86 THR H H 86 8.172 8.172 7.460 0.712 18701 479 1 1 . 1 1 87 87 SER N N 87 117.161 117.161 122.769 -5.608 18701 480 1 1 . 1 1 87 87 SER HA H 87 4.744 4.744 4.677 0.067 18701 481 1 1 . 1 1 87 87 SER C C 87 172.956 172.956 173.754 -0.798 18701 482 1 1 . 1 1 87 87 SER CA C 87 57.532 57.532 56.703 0.829 18701 483 1 1 . 1 1 87 87 SER CB C 87 65.428 65.428 63.878 1.550 18701 484 1 1 . 1 1 87 87 SER H H 87 8.782 8.782 9.294 -0.512 18701 485 1 1 . 1 1 88 88 THR N N 88 116.763 116.763 124.358 -7.595 18701 486 1 1 . 1 1 88 88 THR HA H 88 5.151 5.151 4.961 0.190 18701 487 1 1 . 1 1 88 88 THR C C 88 173.650 173.650 173.906 -0.256 18701 488 1 1 . 1 1 88 88 THR CA C 88 61.439 61.439 61.754 -0.315 18701 489 1 1 . 1 1 88 88 THR CB C 88 71.125 71.125 69.756 1.369 18701 490 1 1 . 1 1 88 88 THR H H 88 8.404 8.404 8.551 -0.147 18701 491 1 1 . 1 1 89 89 LEU N N 89 126.308 126.308 128.133 -1.825 18701 492 1 1 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.594 0.018 18701 493 1 1 . 1 1 89 89 LEU C C 89 174.171 174.171 175.237 -1.066 18701 494 1 1 . 1 1 89 89 LEU CA C 89 54.184 54.184 54.076 0.108 18701 495 1 1 . 1 1 89 89 LEU CB C 89 45.078 45.078 45.053 0.025 18701 496 1 1 . 1 1 89 89 LEU H H 89 9.039 9.039 8.350 0.689 18701 497 1 1 . 1 1 90 90 ASN N N 90 120.749 120.749 121.117 -0.368 18701 498 1 1 . 1 1 90 90 ASN HA H 90 5.641 5.641 4.791 0.850 18701 499 1 1 . 1 1 90 90 ASN C C 90 174.757 174.757 175.163 -0.406 18701 500 1 1 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.479 0.902 18701 501 1 1 . 1 1 90 90 ASN CB C 90 40.764 40.764 38.600 2.164 18701 502 1 1 . 1 1 90 90 ASN H H 90 8.347 8.347 8.653 -0.306 18701 503 1 1 . 1 1 91 91 LYS N N 91 123.843 123.843 124.997 -1.154 18701 504 1 1 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.717 -0.021 18701 505 1 1 . 1 1 91 91 LYS C C 91 173.629 173.629 175.234 -1.605 18701 506 1 1 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.086 0.229 18701 507 1 1 . 1 1 91 91 LYS CB C 91 36.531 36.531 33.380 3.151 18701 508 1 1 . 1 1 91 91 LYS H H 91 9.087 9.087 7.992 1.095 18701 509 1 1 . 1 1 92 92 VAL N N 92 123.150 123.150 127.378 -4.228 18701 510 1 1 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.329 0.774 18701 511 1 1 . 1 1 92 92 VAL C C 92 175.517 175.517 175.525 -0.008 18701 512 1 1 . 1 1 92 92 VAL CA C 92 61.683 61.683 62.524 -0.841 18701 513 1 1 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.225 -0.252 18701 514 1 1 . 1 1 92 92 VAL H H 92 8.479 8.479 8.667 -0.188 18701 515 1 1 . 1 1 93 93 ILE N N 93 120.433 120.433 129.867 -9.434 18701 516 1 1 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.517 0.837 18701 517 1 1 . 1 1 93 93 ILE C C 93 174.215 174.215 173.798 0.417 18701 518 1 1 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.955 -0.692 18701 519 1 1 . 1 1 93 93 ILE CB C 93 41.008 41.008 40.854 0.154 18701 520 1 1 . 1 1 93 93 ILE H H 93 9.155 9.155 8.267 0.888 18701 521 1 1 . 1 1 94 94 PHE N N 94 122.349 122.349 129.547 -7.198 18701 522 1 1 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.428 0.153 18701 523 1 1 . 1 1 94 94 PHE C C 94 173.042 173.042 173.599 -0.557 18701 524 1 1 . 1 1 94 94 PHE CA C 94 56.397 56.397 55.699 0.698 18701 525 1 1 . 1 1 94 94 PHE CB C 94 42.392 42.392 40.744 1.648 18701 526 1 1 . 1 1 94 94 PHE H H 94 9.002 9.002 8.790 0.212 18701 527 1 1 . 1 1 95 95 VAL N N 95 126.937 126.937 128.725 -1.788 18701 528 1 1 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.555 0.151 18701 529 1 1 . 1 1 95 95 VAL C C 95 174.128 174.128 174.391 -0.263 18701 530 1 1 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.528 -0.020 18701 531 1 1 . 1 1 95 95 VAL CB C 95 35.554 35.554 32.632 2.922 18701 532 1 1 . 1 1 95 95 VAL H H 95 8.978 8.978 8.980 -0.002 18701 533 1 1 . 1 1 96 96 GLN N N 96 124.946 124.946 125.874 -0.928 18701 534 1 1 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.380 0.352 18701 535 1 1 . 1 1 96 96 GLN C C 96 172.912 172.912 174.720 -1.808 18701 536 1 1 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.397 1.024 18701 537 1 1 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.620 1.783 18701 538 1 1 . 1 1 96 96 GLN H H 96 8.516 8.516 8.710 -0.194 18701 539 1 1 . 1 1 97 97 TYR N N 97 129.236 129.236 125.046 4.190 18701 540 1 1 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.459 -0.440 18701 541 1 1 . 1 1 97 97 TYR C C 97 174.844 174.844 174.883 -0.039 18701 542 1 1 . 1 1 97 97 TYR CA C 97 57.244 57.244 56.536 0.708 18701 543 1 1 . 1 1 97 97 TYR CB C 97 41.252 41.252 39.251 2.001 18701 544 1 1 . 1 1 97 97 TYR H H 97 9.030 9.030 9.221 -0.191 18701 545 1 1 . 1 1 98 98 CYS N N 98 127.084 127.084 122.659 4.425 18701 546 1 1 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.854 -0.122 18701 547 1 1 . 1 1 98 98 CYS CA C 98 54.602 54.602 55.849 -1.248 18701 548 1 1 . 1 1 98 98 CYS CB C 98 29.042 29.042 31.246 -2.204 18701 549 1 1 . 1 1 98 98 CYS H H 98 8.227 8.227 9.385 -1.158 18701 550 1 1 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.567 0.176 18701 551 1 1 . 1 1 99 99 PRO C C 99 177.492 177.492 176.474 1.018 18701 552 1 1 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.814 -0.235 18701 553 1 1 . 1 1 99 99 PRO CB C 99 32.461 32.461 33.167 -0.706 18701 554 1 1 . 1 1 100 100 ASP N N 100 120.420 120.420 119.505 0.915 18701 555 1 1 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.347 -0.129 18701 556 1 1 . 1 1 100 100 ASP C C 100 176.993 176.993 177.041 -0.048 18701 557 1 1 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.045 1.324 18701 558 1 1 . 1 1 100 100 ASP CB C 100 40.682 40.682 41.014 -0.332 18701 559 1 1 . 1 1 100 100 ASP H H 100 8.584 8.584 8.658 -0.074 18701 560 1 1 . 1 1 101 101 ASN N N 101 112.580 112.580 117.219 -4.639 18701 561 1 1 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.577 0.214 18701 562 1 1 . 1 1 101 101 ASN C C 101 175.256 175.256 174.237 1.019 18701 563 1 1 . 1 1 101 101 ASN CA C 101 52.784 52.784 53.308 -0.524 18701 564 1 1 . 1 1 101 101 ASN CB C 101 38.078 38.078 37.926 0.152 18701 565 1 1 . 1 1 101 101 ASN H H 101 8.055 8.055 8.197 -0.142 18701 566 1 1 . 1 1 102 102 ALA N N 102 123.140 123.140 123.168 -0.028 18701 567 1 1 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.332 0.209 18701 568 1 1 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.270 1.278 18701 569 1 1 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.491 -1.089 18701 570 1 1 . 1 1 102 102 ALA H H 102 7.207 7.207 7.206 0.001 18701 571 1 1 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.301 0.131 18701 572 1 1 . 1 1 103 103 PRO C C 103 178.208 178.208 177.601 0.607 18701 573 1 1 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.899 0.249 18701 574 1 1 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.170 0.210 18701 575 1 1 . 1 1 104 104 VAL N N 104 125.953 125.953 125.464 0.489 18701 576 1 1 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.595 0.001 18701 577 1 1 . 1 1 104 104 VAL C C 104 177.210 177.210 178.217 -1.007 18701 578 1 1 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.797 0.096 18701 579 1 1 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.716 0.257 18701 580 1 1 . 1 1 104 104 VAL H H 104 8.747 8.747 8.660 0.087 18701 581 1 1 . 1 1 105 105 ARG N N 105 118.556 118.556 120.413 -1.857 18701 582 1 1 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.168 -0.083 18701 583 1 1 . 1 1 105 105 ARG C C 105 179.185 179.185 178.750 0.435 18701 584 1 1 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.311 0.337 18701 585 1 1 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.212 0.482 18701 586 1 1 . 1 1 105 105 ARG H H 105 8.866 8.866 8.472 0.394 18701 587 1 1 . 1 1 106 106 ARG N N 106 118.188 118.188 119.556 -1.368 18701 588 1 1 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.120 0.098 18701 589 1 1 . 1 1 106 106 ARG C C 106 177.991 177.991 178.488 -0.497 18701 590 1 1 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.085 -0.506 18701 591 1 1 . 1 1 106 106 ARG CB C 106 30.101 30.101 29.820 0.281 18701 592 1 1 . 1 1 106 106 ARG H H 106 7.140 7.140 8.328 -1.188 18701 593 1 1 . 1 1 107 107 ARG N N 107 119.484 119.484 120.358 -0.874 18701 594 1 1 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.066 -0.051 18701 595 1 1 . 1 1 107 107 ARG C C 107 179.424 179.424 178.631 0.793 18701 596 1 1 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.962 1.663 18701 597 1 1 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.563 0.700 18701 598 1 1 . 1 1 107 107 ARG H H 107 8.246 8.246 8.636 -0.390 18701 599 1 1 . 1 1 108 108 MET N N 108 117.193 117.193 120.057 -2.864 18701 600 1 1 . 1 1 108 108 MET HA H 108 4.218 4.218 4.296 -0.078 18701 601 1 1 . 1 1 108 108 MET C C 108 178.968 178.968 178.095 0.873 18701 602 1 1 . 1 1 108 108 MET CA C 108 58.671 58.671 57.787 0.884 18701 603 1 1 . 1 1 108 108 MET CB C 108 32.380 32.380 32.014 0.366 18701 604 1 1 . 1 1 108 108 MET H H 108 8.599 8.599 8.271 0.328 18701 605 1 1 . 1 1 109 109 LEU N N 109 123.421 123.421 120.046 3.375 18701 606 1 1 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.908 0.286 18701 607 1 1 . 1 1 109 109 LEU C C 109 180.444 180.444 179.091 1.353 18701 608 1 1 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.819 0.364 18701 609 1 1 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.359 1.033 18701 610 1 1 . 1 1 109 109 LEU H H 109 7.924 7.924 7.577 0.347 18701 611 1 1 . 1 1 110 110 TYR N N 110 120.798 120.798 120.909 -0.111 18701 612 1 1 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.292 -0.099 18701 613 1 1 . 1 1 110 110 TYR C C 110 180.574 180.574 177.996 2.578 18701 614 1 1 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.301 0.301 18701 615 1 1 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.534 -0.701 18701 616 1 1 . 1 1 110 110 TYR H H 110 8.761 8.761 8.688 0.073 18701 617 1 1 . 1 1 111 111 ALA N N 111 123.703 123.703 119.365 4.338 18701 618 1 1 . 1 1 111 111 ALA HA H 111 4.362 4.362 3.962 0.400 18701 619 1 1 . 1 1 111 111 ALA C C 111 180.314 180.314 180.033 0.281 18701 620 1 1 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.862 0.798 18701 621 1 1 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.206 0.255 18701 622 1 1 . 1 1 111 111 ALA H H 111 8.668 8.668 8.505 0.163 18701 623 1 1 . 1 1 112 112 SER N N 112 112.404 112.404 112.618 -0.214 18701 624 1 1 . 1 1 112 112 SER HA H 112 4.360 4.360 4.348 0.012 18701 625 1 1 . 1 1 112 112 SER C C 112 176.949 176.949 175.450 1.499 18701 626 1 1 . 1 1 112 112 SER CA C 112 60.869 60.869 60.953 -0.084 18701 627 1 1 . 1 1 112 112 SER CB C 112 63.474 63.474 63.033 0.441 18701 628 1 1 . 1 1 112 112 SER H H 112 8.532 8.532 8.274 0.258 18701 629 1 1 . 1 1 113 113 SER N N 113 115.828 115.828 117.122 -1.294 18701 630 1 1 . 1 1 113 113 SER HA H 113 4.552 4.552 4.369 0.183 18701 631 1 1 . 1 1 113 113 SER C C 113 173.390 173.390 175.113 -1.723 18701 632 1 1 . 1 1 113 113 SER CA C 113 60.218 60.218 58.814 1.404 18701 633 1 1 . 1 1 113 113 SER CB C 113 63.393 63.393 62.372 1.021 18701 634 1 1 . 1 1 113 113 SER H H 113 7.607 7.607 7.575 0.032 18701 635 1 1 . 1 1 114 114 VAL N N 114 119.484 119.484 123.275 -3.791 18701 636 1 1 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.435 -0.078 18701 637 1 1 . 1 1 114 114 VAL C C 114 176.016 176.016 177.413 -1.397 18701 638 1 1 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.506 -1.892 18701 639 1 1 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.404 0.488 18701 640 1 1 . 1 1 114 114 VAL H H 114 6.999 6.999 7.092 -0.093 18701 641 1 1 . 1 1 115 115 ARG N N 115 121.686 121.686 119.051 2.635 18701 642 1 1 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.893 -0.193 18701 643 1 1 . 1 1 115 115 ARG C C 115 178.360 178.360 177.900 0.460 18701 644 1 1 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.772 1.121 18701 645 1 1 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.737 -0.532 18701 646 1 1 . 1 1 115 115 ARG H H 115 7.740 7.740 7.550 0.190 18701 647 1 1 . 1 1 116 116 ALA N N 116 121.346 121.346 121.251 0.095 18701 648 1 1 . 1 1 116 116 ALA HA H 116 4.039 4.039 3.986 0.053 18701 649 1 1 . 1 1 116 116 ALA C C 116 180.335 180.335 179.689 0.646 18701 650 1 1 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.815 -0.051 18701 651 1 1 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.195 -0.304 18701 652 1 1 . 1 1 116 116 ALA H H 116 7.737 7.737 7.742 -0.005 18701 653 1 1 . 1 1 117 117 LEU N N 117 119.203 119.203 115.870 3.333 18701 654 1 1 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.934 -0.279 18701 655 1 1 . 1 1 117 117 LEU C C 117 177.449 177.449 178.673 -1.224 18701 656 1 1 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.007 0.850 18701 657 1 1 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.534 1.044 18701 658 1 1 . 1 1 117 117 LEU H H 117 6.785 6.785 7.666 -0.881 18701 659 1 1 . 1 1 118 118 LYS N N 118 114.804 114.804 120.158 -5.354 18701 660 1 1 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.556 0.806 18701 661 1 1 . 1 1 118 118 LYS C C 118 178.686 178.686 178.031 0.655 18701 662 1 1 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.065 0.909 18701 663 1 1 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.039 0.421 18701 664 1 1 . 1 1 118 118 LYS H H 118 8.132 8.132 7.512 0.620 18701 665 1 1 . 1 1 119 119 ALA N N 119 119.833 119.833 118.941 0.892 18701 666 1 1 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.175 -0.018 18701 667 1 1 . 1 1 119 119 ALA C C 119 180.183 180.183 180.181 0.002 18701 668 1 1 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.626 -0.187 18701 669 1 1 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.311 0.068 18701 670 1 1 . 1 1 119 119 ALA H H 119 8.068 8.068 7.349 0.719 18701 671 1 1 . 1 1 120 120 SER N N 120 112.312 112.312 114.956 -2.644 18701 672 1 1 . 1 1 120 120 SER HA H 120 4.073 4.073 4.198 -0.125 18701 673 1 1 . 1 1 120 120 SER C C 120 175.799 175.799 175.522 0.277 18701 674 1 1 . 1 1 120 120 SER CA C 120 61.602 61.602 60.924 0.678 18701 675 1 1 . 1 1 120 120 SER CB C 120 63.555 63.555 63.174 0.381 18701 676 1 1 . 1 1 120 120 SER H H 120 7.713 7.713 7.536 0.177 18701 677 1 1 . 1 1 121 121 LEU N N 121 116.812 116.812 119.933 -3.121 18701 678 1 1 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.168 -0.083 18701 679 1 1 . 1 1 121 121 LEU C C 121 176.125 176.125 176.153 -0.028 18701 680 1 1 . 1 1 121 121 LEU CA C 121 55.904 55.904 53.869 2.035 18701 681 1 1 . 1 1 121 121 LEU CB C 121 41.252 41.252 41.606 -0.354 18701 682 1 1 . 1 1 121 121 LEU H H 121 7.272 7.272 7.235 0.037 18701 683 1 1 . 1 1 122 122 GLY N N 122 108.734 108.734 106.898 1.836 18701 684 1 1 . 1 1 122 122 GLY C C 122 176.754 176.754 174.991 1.763 18701 685 1 1 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.831 1.444 18701 686 1 1 . 1 1 122 122 GLY H H 122 7.377 7.377 7.466 -0.089 18701 687 1 1 . 1 1 123 123 LEU N N 123 116.950 116.950 119.802 -2.852 18701 688 1 1 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.232 -0.087 18701 689 1 1 . 1 1 123 123 LEU C C 123 178.187 178.187 177.907 0.280 18701 690 1 1 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.677 0.273 18701 691 1 1 . 1 1 123 123 LEU CB C 123 41.903 41.903 40.364 1.539 18701 692 1 1 . 1 1 123 123 LEU H H 123 8.201 8.201 7.327 0.874 18701 693 1 1 . 1 1 124 124 GLU N N 124 120.328 120.328 121.763 -1.435 18701 694 1 1 . 1 1 124 124 GLU HA H 124 3.704 3.704 3.876 -0.172 18701 695 1 1 . 1 1 124 124 GLU C C 124 176.970 176.970 177.701 -0.731 18701 696 1 1 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.263 1.200 18701 697 1 1 . 1 1 124 124 GLU CB C 124 29.205 29.205 28.628 0.577 18701 698 1 1 . 1 1 124 124 GLU H H 124 9.213 9.213 8.594 0.619 18701 699 1 1 . 1 1 125 125 SER N N 125 110.938 110.938 114.046 -3.108 18701 700 1 1 . 1 1 125 125 SER HA H 125 4.456 4.456 4.397 0.059 18701 701 1 1 . 1 1 125 125 SER C C 125 174.475 174.475 173.922 0.553 18701 702 1 1 . 1 1 125 125 SER CA C 125 58.590 58.590 57.921 0.669 18701 703 1 1 . 1 1 125 125 SER CB C 125 63.555 63.555 63.343 0.212 18701 704 1 1 . 1 1 125 125 SER H H 125 8.308 8.308 8.258 0.050 18701 705 1 1 . 1 1 126 126 LEU N N 126 121.193 121.193 121.388 -0.195 18701 706 1 1 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.371 0.098 18701 707 1 1 . 1 1 126 126 LEU C C 126 177.774 177.774 176.113 1.661 18701 708 1 1 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.904 1.023 18701 709 1 1 . 1 1 126 126 LEU CB C 126 42.066 42.066 42.859 -0.793 18701 710 1 1 . 1 1 126 126 LEU H H 126 7.178 7.178 7.181 -0.003 18701 711 1 1 . 1 1 127 127 PHE N N 127 125.109 125.109 119.228 5.881 18701 712 1 1 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.616 -0.268 18701 713 1 1 . 1 1 127 127 PHE C C 127 173.542 173.542 175.245 -1.703 18701 714 1 1 . 1 1 127 127 PHE CA C 127 59.816 59.816 58.334 1.482 18701 715 1 1 . 1 1 127 127 PHE CB C 127 39.950 39.950 40.218 -0.268 18701 716 1 1 . 1 1 127 127 PHE H H 127 9.050 9.050 9.010 0.040 18701 717 1 1 . 1 1 128 128 GLN N N 128 125.953 125.953 123.114 2.839 18701 718 1 1 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.572 -0.062 18701 719 1 1 . 1 1 128 128 GLN C C 128 174.736 174.736 174.582 0.154 18701 720 1 1 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.577 -1.045 18701 721 1 1 . 1 1 128 128 GLN CB C 128 31.973 31.973 31.221 0.752 18701 722 1 1 . 1 1 128 128 GLN H H 128 7.618 7.618 8.617 -0.999 18701 723 1 1 . 1 1 129 129 VAL N N 129 123.703 123.703 126.231 -2.528 18701 724 1 1 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.495 -0.420 18701 725 1 1 . 1 1 129 129 VAL C C 129 174.736 174.736 174.074 0.662 18701 726 1 1 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.774 0.665 18701 727 1 1 . 1 1 129 129 VAL CB C 129 34.984 34.984 34.875 0.109 18701 728 1 1 . 1 1 129 129 VAL H H 129 8.948 8.948 9.255 -0.307 18701 729 1 1 . 1 1 130 130 GLN N N 130 129.187 129.187 122.930 6.257 18701 730 1 1 . 1 1 130 130 GLN HA H 130 4.731 4.731 5.241 -0.510 18701 731 1 1 . 1 1 130 130 GLN C C 130 173.780 173.780 174.372 -0.592 18701 732 1 1 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.096 0.912 18701 733 1 1 . 1 1 130 130 GLN CB C 130 28.391 28.391 31.498 -3.107 18701 734 1 1 . 1 1 130 130 GLN H H 130 8.988 8.988 8.473 0.515 18701 735 1 1 . 1 1 131 131 ALA N N 131 127.359 127.359 127.490 -0.131 18701 736 1 1 . 1 1 131 131 ALA HA H 131 4.816 4.816 4.896 -0.080 18701 737 1 1 . 1 1 131 131 ALA C C 131 174.909 174.909 176.065 -1.156 18701 738 1 1 . 1 1 131 131 ALA CA C 131 50.765 50.765 51.020 -0.255 18701 739 1 1 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.380 1.371 18701 740 1 1 . 1 1 131 131 ALA H H 131 8.663 8.663 8.894 -0.231 18701 741 1 1 . 1 1 132 132 SER N N 132 116.281 116.281 117.634 -1.353 18701 742 1 1 . 1 1 132 132 SER HA H 132 4.085 4.085 4.626 -0.541 18701 743 1 1 . 1 1 132 132 SER C C 132 172.087 172.087 174.301 -2.214 18701 744 1 1 . 1 1 132 132 SER CA C 132 57.667 57.667 59.587 -1.920 18701 745 1 1 . 1 1 132 132 SER CB C 132 65.916 65.916 64.695 1.220 18701 746 1 1 . 1 1 132 132 SER H H 132 9.369 9.369 8.949 0.420 18701 747 1 1 . 1 1 133 133 GLU N N 133 119.487 119.487 118.600 0.887 18701 748 1 1 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.571 0.256 18701 749 1 1 . 1 1 133 133 GLU C C 133 177.666 177.666 176.790 0.876 18701 750 1 1 . 1 1 133 133 GLU CA C 133 54.998 54.998 55.350 -0.352 18701 751 1 1 . 1 1 133 133 GLU CB C 133 33.112 33.112 31.240 1.872 18701 752 1 1 . 1 1 133 133 GLU H H 133 7.739 7.739 7.830 -0.091 18701 753 1 1 . 1 1 134 134 MET N N 134 122.237 122.237 119.148 3.089 18701 754 1 1 . 1 1 134 134 MET HA H 134 4.529 4.529 4.392 0.137 18701 755 1 1 . 1 1 134 134 MET C C 134 180.856 180.856 175.919 4.937 18701 756 1 1 . 1 1 134 134 MET CA C 134 56.593 56.593 57.575 -0.982 18701 757 1 1 . 1 1 134 134 MET CB C 134 29.042 29.042 32.127 -3.084 18701 758 1 1 . 1 1 134 134 MET H H 134 9.143 9.143 8.776 0.367 18701 759 1 1 . 1 1 135 135 SER N N 135 116.214 116.214 115.448 0.766 18701 760 1 1 . 1 1 135 135 SER HA H 135 4.205 4.205 4.376 -0.171 18701 761 1 1 . 1 1 135 135 SER C C 135 176.993 176.993 175.713 1.280 18701 762 1 1 . 1 1 135 135 SER CA C 135 61.216 61.216 60.174 1.042 18701 763 1 1 . 1 1 135 135 SER CB C 135 62.253 62.253 63.121 -0.868 18701 764 1 1 . 1 1 135 135 SER H H 135 8.659 8.659 7.957 0.702 18701 765 1 1 . 1 1 136 136 ASP N N 136 122.296 122.296 122.004 0.292 18701 766 1 1 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.628 -0.075 18701 767 1 1 . 1 1 136 136 ASP C C 136 175.647 175.647 177.133 -1.486 18701 768 1 1 . 1 1 136 136 ASP CA C 136 56.881 56.881 55.508 1.373 18701 769 1 1 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.324 0.335 18701 770 1 1 . 1 1 136 136 ASP H H 136 7.861 7.861 7.627 0.234 18701 771 1 1 . 1 1 137 137 LEU N N 137 113.859 113.859 114.373 -0.514 18701 772 1 1 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.609 -0.092 18701 773 1 1 . 1 1 137 137 LEU C C 137 176.038 176.038 176.636 -0.598 18701 774 1 1 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.489 -1.270 18701 775 1 1 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.304 0.518 18701 776 1 1 . 1 1 137 137 LEU H H 137 7.617 7.617 7.336 0.281 18701 777 1 1 . 1 1 138 138 ASP N N 138 119.906 119.906 120.666 -0.760 18701 778 1 1 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.529 -0.204 18701 779 1 1 . 1 1 138 138 ASP C C 138 175.842 175.842 177.327 -1.485 18701 780 1 1 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.486 1.499 18701 781 1 1 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.957 0.330 18701 782 1 1 . 1 1 138 138 ASP H H 138 7.119 7.119 7.384 -0.265 18701 783 1 1 . 1 1 139 139 GLU N N 139 128.062 128.062 126.027 2.035 18701 784 1 1 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.868 -0.559 18701 785 1 1 . 1 1 139 139 GLU C C 139 177.275 177.275 177.668 -0.393 18701 786 1 1 . 1 1 139 139 GLU CA C 139 60.299 60.299 59.015 1.284 18701 787 1 1 . 1 1 139 139 GLU CB C 139 30.508 30.508 28.951 1.557 18701 788 1 1 . 1 1 139 139 GLU H H 139 8.943 8.943 8.871 0.072 18701 789 1 1 . 1 1 140 140 LYS N N 140 115.993 115.993 118.399 -2.406 18701 790 1 1 . 1 1 140 140 LYS HA H 140 3.894 3.894 3.958 -0.064 18701 791 1 1 . 1 1 140 140 LYS C C 140 179.771 179.771 178.941 0.830 18701 792 1 1 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.903 0.652 18701 793 1 1 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.644 0.329 18701 794 1 1 . 1 1 140 140 LYS H H 140 8.243 8.243 7.896 0.347 18701 795 1 1 . 1 1 141 141 SER N N 141 116.877 116.877 115.497 1.380 18701 796 1 1 . 1 1 141 141 SER HA H 141 4.184 4.184 4.516 -0.332 18701 797 1 1 . 1 1 141 141 SER C C 141 175.973 175.973 176.255 -0.282 18701 798 1 1 . 1 1 141 141 SER CA C 141 61.737 61.737 61.551 0.186 18701 799 1 1 . 1 1 141 141 SER CB C 141 62.986 62.986 64.413 -1.427 18701 800 1 1 . 1 1 141 141 SER H H 141 7.856 7.856 7.993 -0.137 18701 801 1 1 . 1 1 142 142 VAL N N 142 121.874 121.874 122.575 -0.701 18701 802 1 1 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.605 0.171 18701 803 1 1 . 1 1 142 142 VAL C C 142 178.165 178.165 177.219 0.946 18701 804 1 1 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.340 -0.610 18701 805 1 1 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.372 1.008 18701 806 1 1 . 1 1 142 142 VAL H H 142 8.476 8.476 7.599 0.877 18701 807 1 1 . 1 1 143 143 LYS N N 143 116.141 116.141 120.036 -3.895 18701 808 1 1 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.983 -0.364 18701 809 1 1 . 1 1 143 143 LYS C C 143 178.512 178.512 178.974 -0.462 18701 810 1 1 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.238 2.038 18701 811 1 1 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.873 0.263 18701 812 1 1 . 1 1 143 143 LYS H H 143 8.157 8.157 7.729 0.428 18701 813 1 1 . 1 1 144 144 SER N N 144 113.862 113.862 115.442 -1.580 18701 814 1 1 . 1 1 144 144 SER HA H 144 4.158 4.158 4.126 0.032 18701 815 1 1 . 1 1 144 144 SER C C 144 177.340 177.340 176.462 0.878 18701 816 1 1 . 1 1 144 144 SER CA C 144 61.769 61.769 62.250 -0.481 18701 817 1 1 . 1 1 144 144 SER CB C 144 62.986 62.986 63.011 -0.025 18701 818 1 1 . 1 1 144 144 SER H H 144 7.754 7.754 7.704 0.050 18701 819 1 1 . 1 1 145 145 ASP N N 145 123.316 123.316 121.917 1.399 18701 820 1 1 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.370 0.038 18701 821 1 1 . 1 1 145 145 ASP C C 145 178.708 178.708 178.210 0.498 18701 822 1 1 . 1 1 145 145 ASP CA C 145 57.369 57.369 56.818 0.551 18701 823 1 1 . 1 1 145 145 ASP CB C 145 40.194 40.194 40.971 -0.777 18701 824 1 1 . 1 1 145 145 ASP H H 145 8.172 8.172 8.337 -0.165 18701 825 1 1 . 1 1 146 146 LEU N N 146 121.453 121.453 120.566 0.887 18701 826 1 1 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.007 -0.949 18701 827 1 1 . 1 1 146 146 LEU C C 146 178.447 178.447 178.347 0.100 18701 828 1 1 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.386 -0.018 18701 829 1 1 . 1 1 146 146 LEU CB C 146 42.636 42.636 42.125 0.511 18701 830 1 1 . 1 1 146 146 LEU H H 146 8.186 8.186 7.831 0.355 18701 831 1 1 . 1 1 147 147 MET N N 147 115.468 115.468 116.602 -1.134 18701 832 1 1 . 1 1 147 147 MET HA H 147 4.314 4.314 4.459 -0.145 18701 833 1 1 . 1 1 147 147 MET C C 147 177.839 177.839 178.445 -0.606 18701 834 1 1 . 1 1 147 147 MET CA C 147 56.311 56.311 58.474 -2.163 18701 835 1 1 . 1 1 147 147 MET CB C 147 31.891 31.891 32.277 -0.386 18701 836 1 1 . 1 1 147 147 MET H H 147 7.622 7.622 7.902 -0.280 18701 837 1 1 . 1 1 148 148 SER N N 148 115.203 115.203 114.756 0.447 18701 838 1 1 . 1 1 148 148 SER HA H 148 4.338 4.338 4.258 0.080 18701 839 1 1 . 1 1 148 148 SER C C 148 174.953 174.953 176.332 -1.379 18701 840 1 1 . 1 1 148 148 SER CA C 148 60.137 60.137 61.057 -0.920 18701 841 1 1 . 1 1 148 148 SER CB C 148 63.637 63.637 63.259 0.378 18701 842 1 1 . 1 1 148 148 SER H H 148 7.836 7.836 7.634 0.202 18701 843 1 1 . 1 1 149 149 ASN N N 149 119.635 119.635 119.743 -0.108 18701 844 1 1 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.698 -0.015 18701 845 1 1 . 1 1 149 149 ASN C C 149 174.953 174.953 177.041 -2.088 18701 846 1 1 . 1 1 149 149 ASN CA C 149 54.439 54.439 53.785 0.654 18701 847 1 1 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.698 2.008 18701 848 1 1 . 1 1 149 149 ASN H H 149 8.040 8.040 7.630 0.410 18701 849 1 1 . 1 1 150 150 GLN N N 150 118.805 118.805 119.646 -0.841 18701 850 1 1 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.983 0.330 18701 851 1 1 . 1 1 150 150 GLN C C 150 175.365 175.365 177.457 -2.092 18701 852 1 1 . 1 1 150 150 GLN CA C 150 55.823 55.823 59.924 -4.101 18701 853 1 1 . 1 1 150 150 GLN CB C 150 29.287 29.287 28.826 0.461 18701 854 1 1 . 1 1 150 150 GLN H H 150 8.041 8.041 7.938 0.103 18701 855 1 1 . 1 1 151 151 ARG N N 151 122.082 122.082 115.185 6.897 18701 856 1 1 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.523 -0.161 18701 857 1 1 . 1 1 151 151 ARG C C 151 175.213 175.213 175.496 -0.283 18701 858 1 1 . 1 1 151 151 ARG CA C 151 56.332 56.332 56.480 -0.148 18701 859 1 1 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.211 0.215 18701 860 1 1 . 1 1 151 151 ARG H H 151 8.221 8.221 7.789 0.432 18701 861 1 2 . 1 1 2 2 ALA N N 2 126.155 126.155 122.070 4.085 18701 862 1 2 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.769 -0.427 18701 863 1 2 . 1 1 2 2 ALA C C 2 177.458 177.458 174.613 2.845 18701 864 1 2 . 1 1 2 2 ALA CA C 2 52.816 52.816 51.908 0.908 18701 865 1 2 . 1 1 2 2 ALA CB C 2 19.437 19.437 21.299 -1.862 18701 866 1 2 . 1 1 2 2 ALA H H 2 8.404 8.404 8.582 -0.178 18701 867 1 2 . 1 1 3 3 SER N N 3 115.406 115.406 113.861 1.545 18701 868 1 2 . 1 1 3 3 SER HA H 3 4.409 4.409 4.587 -0.178 18701 869 1 2 . 1 1 3 3 SER C C 3 174.739 174.739 174.740 -0.001 18701 870 1 2 . 1 1 3 3 SER CA C 3 58.346 58.346 57.273 1.073 18701 871 1 2 . 1 1 3 3 SER CB C 3 64.207 64.207 66.012 -1.805 18701 872 1 2 . 1 1 3 3 SER H H 3 8.283 8.283 8.145 0.138 18701 873 1 2 . 1 1 4 4 GLY N N 4 110.853 110.853 107.494 3.359 18701 874 1 2 . 1 1 4 4 GLY C C 4 173.502 173.502 173.093 0.409 18701 875 1 2 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.872 0.206 18701 876 1 2 . 1 1 4 4 GLY H H 4 8.358 8.358 8.267 0.091 18701 877 1 2 . 1 1 5 5 VAL N N 5 119.781 119.781 121.567 -1.786 18701 878 1 2 . 1 1 5 5 VAL HA H 5 3.883 3.883 3.928 -0.045 18701 879 1 2 . 1 1 5 5 VAL C C 5 175.390 175.390 176.263 -0.873 18701 880 1 2 . 1 1 5 5 VAL CA C 5 62.518 62.518 61.811 0.707 18701 881 1 2 . 1 1 5 5 VAL CB C 5 32.705 32.705 31.767 0.938 18701 882 1 2 . 1 1 5 5 VAL H H 5 7.836 7.836 7.818 0.018 18701 883 1 2 . 1 1 6 6 LYS N N 6 124.873 124.873 128.331 -3.458 18701 884 1 2 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.282 0.187 18701 885 1 2 . 1 1 6 6 LYS C C 6 175.278 175.278 175.618 -0.340 18701 886 1 2 . 1 1 6 6 LYS CA C 6 54.927 54.927 56.142 -1.215 18701 887 1 2 . 1 1 6 6 LYS CB C 6 34.577 34.577 32.949 1.628 18701 888 1 2 . 1 1 6 6 LYS H H 6 7.988 7.988 7.987 0.001 18701 889 1 2 . 1 1 7 7 VAL N N 7 122.213 122.213 120.319 1.894 18701 890 1 2 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.101 -0.218 18701 891 1 2 . 1 1 7 7 VAL C C 7 175.756 175.756 174.924 0.832 18701 892 1 2 . 1 1 7 7 VAL CA C 7 62.334 62.334 60.866 1.468 18701 893 1 2 . 1 1 7 7 VAL CB C 7 32.054 32.054 31.593 0.461 18701 894 1 2 . 1 1 7 7 VAL H H 7 8.757 8.757 8.224 0.533 18701 895 1 2 . 1 1 8 8 ASP N N 8 131.718 131.718 128.721 2.997 18701 896 1 2 . 1 1 8 8 ASP HA H 8 4.673 4.673 4.722 -0.049 18701 897 1 2 . 1 1 8 8 ASP C C 8 176.237 176.237 177.058 -0.821 18701 898 1 2 . 1 1 8 8 ASP CA C 8 54.439 54.439 52.508 1.931 18701 899 1 2 . 1 1 8 8 ASP CB C 8 44.590 44.590 43.014 1.576 18701 900 1 2 . 1 1 8 8 ASP H H 8 8.820 8.820 7.864 0.956 18701 901 1 2 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.254 0.130 18701 902 1 2 . 1 1 9 9 PRO C C 9 177.535 177.535 178.439 -0.904 18701 903 1 2 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.692 0.818 18701 904 1 2 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.114 -0.060 18701 905 1 2 . 1 1 10 10 SER N N 10 113.842 113.842 116.644 -2.802 18701 906 1 2 . 1 1 10 10 SER HA H 10 4.265 4.265 4.229 0.036 18701 907 1 2 . 1 1 10 10 SER C C 10 177.666 177.666 176.756 0.910 18701 908 1 2 . 1 1 10 10 SER CA C 10 61.541 61.541 62.446 -0.905 18701 909 1 2 . 1 1 10 10 SER CB C 10 62.660 62.660 62.662 -0.002 18701 910 1 2 . 1 1 10 10 SER H H 10 8.811 8.811 8.891 -0.080 18701 911 1 2 . 1 1 11 11 CYS N N 11 121.231 121.231 120.307 0.924 18701 912 1 2 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.242 -0.096 18701 913 1 2 . 1 1 11 11 CYS C C 11 176.211 176.211 176.402 -0.191 18701 914 1 2 . 1 1 11 11 CYS CA C 11 62.986 62.986 63.714 -0.728 18701 915 1 2 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.554 -0.058 18701 916 1 2 . 1 1 11 11 CYS H H 11 8.459 8.459 7.835 0.624 18701 917 1 2 . 1 1 12 12 LYS N N 12 119.862 119.862 120.305 -0.443 18701 918 1 2 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.114 -0.168 18701 919 1 2 . 1 1 12 12 LYS C C 12 177.687 177.687 178.305 -0.618 18701 920 1 2 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.562 0.679 18701 921 1 2 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.943 0.518 18701 922 1 2 . 1 1 12 12 LYS H H 12 7.615 7.615 7.546 0.069 18701 923 1 2 . 1 1 13 13 ASN N N 13 116.871 116.871 117.823 -0.952 18701 924 1 2 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.533 -0.065 18701 925 1 2 . 1 1 13 13 ASN C C 13 177.297 177.297 177.310 -0.013 18701 926 1 2 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.002 0.635 18701 927 1 2 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.378 0.107 18701 928 1 2 . 1 1 13 13 ASN H H 13 7.489 7.489 8.389 -0.900 18701 929 1 2 . 1 1 14 14 ALA N N 14 119.990 119.990 121.710 -1.720 18701 930 1 2 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.273 -0.032 18701 931 1 2 . 1 1 14 14 ALA C C 14 179.077 179.077 178.715 0.362 18701 932 1 2 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.142 1.435 18701 933 1 2 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.884 -0.423 18701 934 1 2 . 1 1 14 14 ALA H H 14 8.054 8.054 7.839 0.215 18701 935 1 2 . 1 1 15 15 TYR N N 15 118.280 118.280 120.349 -2.069 18701 936 1 2 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.183 -0.132 18701 937 1 2 . 1 1 15 15 TYR C C 15 177.123 177.123 177.397 -0.274 18701 938 1 2 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.463 1.278 18701 939 1 2 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.632 0.829 18701 940 1 2 . 1 1 15 15 TYR H H 15 8.380 8.380 7.963 0.417 18701 941 1 2 . 1 1 16 16 ASP N N 16 121.008 121.008 119.479 1.529 18701 942 1 2 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.393 -0.091 18701 943 1 2 . 1 1 16 16 ASP C C 16 179.185 179.185 178.531 0.654 18701 944 1 2 . 1 1 16 16 ASP CA C 16 58.102 58.102 58.050 0.052 18701 945 1 2 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.618 -0.261 18701 946 1 2 . 1 1 16 16 ASP H H 16 8.722 8.722 8.149 0.573 18701 947 1 2 . 1 1 17 17 LEU N N 17 119.368 119.368 117.896 1.472 18701 948 1 2 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.058 -0.191 18701 949 1 2 . 1 1 17 17 LEU C C 17 178.708 178.708 178.661 0.047 18701 950 1 2 . 1 1 17 17 LEU CA C 17 58.102 58.102 58.017 0.085 18701 951 1 2 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.735 0.331 18701 952 1 2 . 1 1 17 17 LEU H H 17 7.477 7.477 7.494 -0.017 18701 953 1 2 . 1 1 18 18 LEU N N 18 121.503 121.503 116.090 5.413 18701 954 1 2 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.284 -0.186 18701 955 1 2 . 1 1 18 18 LEU C C 18 176.580 176.580 178.708 -2.128 18701 956 1 2 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.052 2.850 18701 957 1 2 . 1 1 18 18 LEU CB C 18 43.625 43.625 40.980 2.645 18701 958 1 2 . 1 1 18 18 LEU H H 18 7.762 7.762 7.620 0.142 18701 959 1 2 . 1 1 19 19 HIS N N 19 116.605 116.605 119.303 -2.698 18701 960 1 2 . 1 1 19 19 HIS HA H 19 3.741 3.741 3.778 -0.037 18701 961 1 2 . 1 1 19 19 HIS C C 19 174.627 174.627 175.492 -0.865 18701 962 1 2 . 1 1 19 19 HIS CA C 19 58.904 58.904 58.760 0.144 18701 963 1 2 . 1 1 19 19 HIS CB C 19 30.019 30.019 29.963 0.056 18701 964 1 2 . 1 1 19 19 HIS H H 19 8.983 8.983 8.358 0.625 18701 965 1 2 . 1 1 20 20 ASN N N 20 112.497 112.497 115.574 -3.077 18701 966 1 2 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.507 0.058 18701 967 1 2 . 1 1 20 20 ASN C C 20 176.624 176.624 176.965 -0.341 18701 968 1 2 . 1 1 20 20 ASN CA C 20 54.195 54.195 54.612 -0.417 18701 969 1 2 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.234 -0.654 18701 970 1 2 . 1 1 20 20 ASN H H 20 8.308 8.308 8.136 0.172 18701 971 1 2 . 1 1 21 21 LYS N N 21 113.544 113.544 120.502 -6.958 18701 972 1 2 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.127 0.281 18701 973 1 2 . 1 1 21 21 LYS C C 21 175.669 175.669 177.145 -1.476 18701 974 1 2 . 1 1 21 21 LYS CA C 21 55.291 55.291 57.734 -2.443 18701 975 1 2 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.781 0.494 18701 976 1 2 . 1 1 21 21 LYS H H 21 6.621 6.621 7.790 -1.169 18701 977 1 2 . 1 1 22 22 HIS N N 22 115.701 115.701 114.750 0.951 18701 978 1 2 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.435 0.284 18701 979 1 2 . 1 1 22 22 HIS C C 22 174.670 174.670 174.360 0.310 18701 980 1 2 . 1 1 22 22 HIS CA C 22 56.332 56.332 57.003 -0.671 18701 981 1 2 . 1 1 22 22 HIS CB C 22 25.721 25.721 26.740 -1.019 18701 982 1 2 . 1 1 22 22 HIS H H 22 6.838 6.838 8.124 -1.286 18701 983 1 2 . 1 1 23 23 GLN N N 23 114.330 114.330 117.342 -3.012 18701 984 1 2 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.950 0.065 18701 985 1 2 . 1 1 23 23 GLN C C 23 174.041 174.041 174.671 -0.630 18701 986 1 2 . 1 1 23 23 GLN CA C 23 56.311 56.311 58.884 -2.573 18701 987 1 2 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.560 1.125 18701 988 1 2 . 1 1 23 23 GLN H H 23 8.028 8.028 7.817 0.211 18701 989 1 2 . 1 1 24 24 HIS N N 24 111.043 111.043 112.125 -1.082 18701 990 1 2 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.869 -0.723 18701 991 1 2 . 1 1 24 24 HIS C C 24 175.083 175.083 174.334 0.749 18701 992 1 2 . 1 1 24 24 HIS CA C 24 53.305 53.305 55.458 -2.153 18701 993 1 2 . 1 1 24 24 HIS CB C 24 33.845 33.845 32.760 1.085 18701 994 1 2 . 1 1 24 24 HIS H H 24 6.670 6.670 7.458 -0.788 18701 995 1 2 . 1 1 25 25 SER N N 25 115.307 115.307 114.379 0.928 18701 996 1 2 . 1 1 25 25 SER HA H 25 4.600 4.600 4.624 -0.024 18701 997 1 2 . 1 1 25 25 SER C C 25 173.368 173.368 173.415 -0.047 18701 998 1 2 . 1 1 25 25 SER CA C 25 59.648 59.648 58.537 1.111 18701 999 1 2 . 1 1 25 25 SER CB C 25 64.532 64.532 65.369 -0.837 18701 1000 1 2 . 1 1 25 25 SER H H 25 7.591 7.591 8.928 -1.337 18701 1001 1 2 . 1 1 26 26 TYR N N 26 111.318 111.318 123.778 -12.460 18701 1002 1 2 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.351 0.003 18701 1003 1 2 . 1 1 26 26 TYR C C 26 173.411 173.411 173.474 -0.063 18701 1004 1 2 . 1 1 26 26 TYR CA C 26 56.392 56.392 57.263 -0.871 18701 1005 1 2 . 1 1 26 26 TYR CB C 26 41.008 41.008 40.352 0.656 18701 1006 1 2 . 1 1 26 26 TYR H H 26 6.635 6.635 7.312 -0.677 18701 1007 1 2 . 1 1 27 27 ILE N N 27 119.710 119.710 126.576 -6.866 18701 1008 1 2 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.854 -0.325 18701 1009 1 2 . 1 1 27 27 ILE C C 27 174.323 174.323 172.892 1.431 18701 1010 1 2 . 1 1 27 27 ILE CA C 27 60.706 60.706 58.339 2.367 18701 1011 1 2 . 1 1 27 27 ILE CB C 27 44.020 44.020 42.200 1.820 18701 1012 1 2 . 1 1 27 27 ILE H H 27 9.191 9.191 8.663 0.528 18701 1013 1 2 . 1 1 28 28 ILE N N 28 125.249 125.249 126.093 -0.844 18701 1014 1 2 . 1 1 28 28 ILE HA H 28 4.804 4.804 5.028 -0.224 18701 1015 1 2 . 1 1 28 28 ILE C C 28 174.757 174.757 174.892 -0.135 18701 1016 1 2 . 1 1 28 28 ILE CA C 28 60.951 60.951 59.006 1.945 18701 1017 1 2 . 1 1 28 28 ILE CB C 28 40.113 40.113 40.183 -0.070 18701 1018 1 2 . 1 1 28 28 ILE H H 28 9.049 9.049 8.638 0.411 18701 1019 1 2 . 1 1 29 29 PHE N N 29 126.153 126.153 126.081 0.072 18701 1020 1 2 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.565 0.160 18701 1021 1 2 . 1 1 29 29 PHE C C 29 174.193 174.193 174.855 -0.662 18701 1022 1 2 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.211 -0.388 18701 1023 1 2 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.705 0.175 18701 1024 1 2 . 1 1 29 29 PHE H H 29 9.514 9.514 9.042 0.472 18701 1025 1 2 . 1 1 30 30 LYS N N 30 116.531 116.531 118.416 -1.885 18701 1026 1 2 . 1 1 30 30 LYS HA H 30 5.151 5.151 5.127 0.024 18701 1027 1 2 . 1 1 30 30 LYS C C 30 173.411 173.411 175.103 -1.692 18701 1028 1 2 . 1 1 30 30 LYS CA C 30 54.276 54.276 55.250 -0.974 18701 1029 1 2 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.523 0.659 18701 1030 1 2 . 1 1 30 30 LYS H H 30 8.950 8.950 9.296 -0.346 18701 1031 1 2 . 1 1 31 31 ILE N N 31 120.757 120.757 123.699 -2.942 18701 1032 1 2 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.933 -0.249 18701 1033 1 2 . 1 1 31 31 ILE C C 31 174.714 174.714 175.715 -1.001 18701 1034 1 2 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.773 0.074 18701 1035 1 2 . 1 1 31 31 ILE CB C 31 37.508 37.508 37.988 -0.480 18701 1036 1 2 . 1 1 31 31 ILE H H 31 8.256 8.256 8.948 -0.692 18701 1037 1 2 . 1 1 32 32 ASP N N 32 130.811 130.811 128.503 2.308 18701 1038 1 2 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.841 -0.396 18701 1039 1 2 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.692 -0.029 18701 1040 1 2 . 1 1 32 32 ASP CB C 32 37.489 37.489 41.661 -4.172 18701 1041 1 2 . 1 1 32 32 ASP H H 32 9.441 9.441 8.250 1.191 18701 1042 1 2 . 1 1 33 33 LYS HA H 33 4.314 4.314 4.280 0.034 18701 1043 1 2 . 1 1 33 33 LYS C C 33 174.759 174.759 175.139 -0.380 18701 1044 1 2 . 1 1 33 33 LYS CA C 33 56.230 56.230 55.862 0.368 18701 1045 1 2 . 1 1 33 33 LYS CB C 33 29.205 29.205 33.484 -4.279 18701 1046 1 2 . 1 1 34 34 ASN N N 34 117.759 117.759 119.403 -1.644 18701 1047 1 2 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.439 0.245 18701 1048 1 2 . 1 1 34 34 ASN C C 34 174.736 174.736 177.144 -2.408 18701 1049 1 2 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.344 -1.193 18701 1050 1 2 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.495 1.129 18701 1051 1 2 . 1 1 34 34 ASN H H 34 8.573 8.573 8.811 -0.238 18701 1052 1 2 . 1 1 35 35 ASP N N 35 115.713 115.713 117.428 -1.715 18701 1053 1 2 . 1 1 35 35 ASP C C 35 175.586 175.586 175.546 0.040 18701 1054 1 2 . 1 1 35 35 ASP CA C 35 54.043 54.043 55.478 -1.435 18701 1055 1 2 . 1 1 35 35 ASP CB C 35 42.091 42.091 41.094 0.997 18701 1056 1 2 . 1 1 35 35 ASP H H 35 8.134 8.134 8.535 -0.401 18701 1057 1 2 . 1 1 36 36 THR HA H 36 4.565 4.565 3.960 0.605 18701 1058 1 2 . 1 1 36 36 THR C C 36 175.517 175.517 172.293 3.224 18701 1059 1 2 . 1 1 36 36 THR CA C 36 62.579 62.579 62.481 0.098 18701 1060 1 2 . 1 1 36 36 THR CB C 36 71.858 71.858 67.606 4.252 18701 1061 1 2 . 1 1 37 37 ALA N N 37 124.761 124.761 126.022 -1.261 18701 1062 1 2 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.021 0.477 18701 1063 1 2 . 1 1 37 37 ALA C C 37 175.300 175.300 175.525 -0.225 18701 1064 1 2 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.978 0.503 18701 1065 1 2 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.865 -0.253 18701 1066 1 2 . 1 1 37 37 ALA H H 37 8.054 8.054 8.176 -0.122 18701 1067 1 2 . 1 1 38 38 ILE N N 38 121.171 121.171 120.442 0.729 18701 1068 1 2 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.590 0.077 18701 1069 1 2 . 1 1 38 38 ILE C C 38 174.301 174.301 175.307 -1.006 18701 1070 1 2 . 1 1 38 38 ILE CA C 38 61.439 61.439 61.983 -0.544 18701 1071 1 2 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.169 1.048 18701 1072 1 2 . 1 1 38 38 ILE H H 38 8.623 8.623 8.564 0.059 18701 1073 1 2 . 1 1 39 39 VAL N N 39 118.121 118.121 127.842 -9.721 18701 1074 1 2 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.620 0.053 18701 1075 1 2 . 1 1 39 39 VAL C C 39 174.974 174.974 174.461 0.513 18701 1076 1 2 . 1 1 39 39 VAL CA C 39 59.078 59.078 59.168 -0.090 18701 1077 1 2 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.915 -1.442 18701 1078 1 2 . 1 1 39 39 VAL H H 39 9.083 9.083 9.326 -0.243 18701 1079 1 2 . 1 1 40 40 VAL N N 40 121.315 121.315 123.403 -2.088 18701 1080 1 2 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.339 -0.551 18701 1081 1 2 . 1 1 40 40 VAL C C 40 175.300 175.300 175.772 -0.472 18701 1082 1 2 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.125 0.675 18701 1083 1 2 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.582 1.042 18701 1084 1 2 . 1 1 40 40 VAL H H 40 8.345 8.345 8.423 -0.078 18701 1085 1 2 . 1 1 41 41 GLU N N 41 130.920 130.920 128.864 2.056 18701 1086 1 2 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.409 -0.000 18701 1087 1 2 . 1 1 41 41 GLU C C 41 175.647 175.647 175.947 -0.300 18701 1088 1 2 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.599 -0.393 18701 1089 1 2 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.577 1.940 18701 1090 1 2 . 1 1 41 41 GLU H H 41 9.388 9.388 8.991 0.397 18701 1091 1 2 . 1 1 42 42 LYS N N 42 115.836 115.836 119.857 -4.021 18701 1092 1 2 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.479 0.175 18701 1093 1 2 . 1 1 42 42 LYS C C 42 173.715 173.715 174.089 -0.374 18701 1094 1 2 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.629 -1.109 18701 1095 1 2 . 1 1 42 42 LYS CB C 42 36.857 36.857 34.764 2.093 18701 1096 1 2 . 1 1 42 42 LYS H H 42 7.523 7.523 7.558 -0.035 18701 1097 1 2 . 1 1 43 43 VAL N N 43 118.472 118.472 122.658 -4.186 18701 1098 1 2 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.666 -0.221 18701 1099 1 2 . 1 1 43 43 VAL C C 43 174.931 174.931 175.119 -0.188 18701 1100 1 2 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.261 0.386 18701 1101 1 2 . 1 1 43 43 VAL CB C 43 34.170 34.170 33.493 0.677 18701 1102 1 2 . 1 1 43 43 VAL H H 43 8.315 8.315 8.373 -0.058 18701 1103 1 2 . 1 1 44 44 GLY N N 44 112.479 112.479 113.455 -0.976 18701 1104 1 2 . 1 1 44 44 GLY C C 44 174.149 174.149 173.457 0.692 18701 1105 1 2 . 1 1 44 44 GLY CA C 44 43.384 43.384 44.031 -0.647 18701 1106 1 2 . 1 1 44 44 GLY H H 44 7.953 7.953 8.870 -0.917 18701 1107 1 2 . 1 1 45 45 GLU N N 45 122.999 122.999 121.544 1.455 18701 1108 1 2 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.661 -0.242 18701 1109 1 2 . 1 1 45 45 GLU C C 45 175.365 175.365 176.715 -1.350 18701 1110 1 2 . 1 1 45 45 GLU CA C 45 56.392 56.392 55.156 1.236 18701 1111 1 2 . 1 1 45 45 GLU CB C 45 30.670 30.670 30.724 -0.053 18701 1112 1 2 . 1 1 45 45 GLU H H 45 8.949 8.949 8.763 0.186 18701 1113 1 2 . 1 1 48 48 ALA N N 48 124.687 124.687 124.914 -0.227 18701 1114 1 2 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.711 -0.290 18701 1115 1 2 . 1 1 48 48 ALA C C 48 176.210 176.210 174.827 1.383 18701 1116 1 2 . 1 1 48 48 ALA CA C 48 51.508 51.508 50.036 1.472 18701 1117 1 2 . 1 1 48 48 ALA CB C 48 17.647 17.647 20.041 -2.394 18701 1118 1 2 . 1 1 48 48 ALA H H 48 7.627 7.627 7.585 0.042 18701 1119 1 2 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.576 0.073 18701 1120 1 2 . 1 1 49 49 PRO C C 49 177.535 177.535 176.919 0.616 18701 1121 1 2 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.508 -0.010 18701 1122 1 2 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.079 0.057 18701 1123 1 2 . 1 1 50 50 TYR N N 50 127.091 127.091 125.068 2.023 18701 1124 1 2 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.392 -0.331 18701 1125 1 2 . 1 1 50 50 TYR C C 50 177.427 177.427 176.906 0.521 18701 1126 1 2 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.420 2.240 18701 1127 1 2 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.146 1.094 18701 1128 1 2 . 1 1 50 50 TYR H H 50 9.065 9.065 8.681 0.384 18701 1129 1 2 . 1 1 51 51 ALA N N 51 117.547 117.547 121.302 -3.755 18701 1130 1 2 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.640 0.435 18701 1131 1 2 . 1 1 51 51 ALA C C 51 179.836 179.836 179.141 0.695 18701 1132 1 2 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.370 0.639 18701 1133 1 2 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.415 1.615 18701 1134 1 2 . 1 1 51 51 ALA H H 51 8.910 8.910 7.832 1.078 18701 1135 1 2 . 1 1 52 52 GLU N N 52 117.688 117.688 119.634 -1.946 18701 1136 1 2 . 1 1 52 52 GLU HA H 52 4.026 4.026 3.875 0.151 18701 1137 1 2 . 1 1 52 52 GLU C C 52 177.970 177.970 178.511 -0.541 18701 1138 1 2 . 1 1 52 52 GLU CA C 52 59.241 59.241 58.934 0.307 18701 1139 1 2 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.307 0.468 18701 1140 1 2 . 1 1 52 52 GLU H H 52 7.708 7.708 7.382 0.326 18701 1141 1 2 . 1 1 53 53 PHE N N 53 120.303 120.303 118.116 2.187 18701 1142 1 2 . 1 1 53 53 PHE HA H 53 2.974 2.974 4.169 -1.195 18701 1143 1 2 . 1 1 53 53 PHE C C 53 175.582 175.582 177.971 -2.389 18701 1144 1 2 . 1 1 53 53 PHE CA C 53 59.892 59.892 61.487 -1.595 18701 1145 1 2 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.246 -1.552 18701 1146 1 2 . 1 1 53 53 PHE H H 53 6.778 6.778 7.199 -0.421 18701 1147 1 2 . 1 1 54 54 VAL N N 54 117.631 117.631 119.591 -1.960 18701 1148 1 2 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.433 -1.082 18701 1149 1 2 . 1 1 54 54 VAL C C 54 177.101 177.101 178.074 -0.973 18701 1150 1 2 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.761 0.132 18701 1151 1 2 . 1 1 54 54 VAL CB C 54 31.484 31.484 31.322 0.162 18701 1152 1 2 . 1 1 54 54 VAL H H 54 7.104 7.104 7.555 -0.451 18701 1153 1 2 . 1 1 55 55 GLU N N 55 118.253 118.253 118.302 -0.049 18701 1154 1 2 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.954 -0.214 18701 1155 1 2 . 1 1 55 55 GLU C C 55 178.859 178.859 179.279 -0.420 18701 1156 1 2 . 1 1 55 55 GLU CA C 55 58.916 58.916 58.981 -0.065 18701 1157 1 2 . 1 1 55 55 GLU CB C 55 29.287 29.287 28.698 0.589 18701 1158 1 2 . 1 1 55 55 GLU H H 55 7.592 7.592 8.123 -0.531 18701 1159 1 2 . 1 1 56 56 GLU N N 56 118.908 118.908 119.352 -0.444 18701 1160 1 2 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.085 -0.238 18701 1161 1 2 . 1 1 56 56 GLU C C 56 179.272 179.272 178.594 0.678 18701 1162 1 2 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.864 -0.030 18701 1163 1 2 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.357 -0.722 18701 1164 1 2 . 1 1 56 56 GLU H H 56 8.002 8.002 8.140 -0.138 18701 1165 1 2 . 1 1 57 57 MET N N 57 117.937 117.937 117.794 0.143 18701 1166 1 2 . 1 1 57 57 MET HA H 57 3.799 3.799 4.439 -0.640 18701 1167 1 2 . 1 1 57 57 MET C C 57 177.514 177.514 177.726 -0.212 18701 1168 1 2 . 1 1 57 57 MET CA C 57 57.044 57.044 57.697 -0.653 18701 1169 1 2 . 1 1 57 57 MET CB C 57 30.263 30.263 33.315 -3.052 18701 1170 1 2 . 1 1 57 57 MET H H 57 7.838 7.838 7.571 0.267 18701 1171 1 2 . 1 1 58 58 LYS N N 58 119.343 119.343 121.109 -1.766 18701 1172 1 2 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.926 -0.307 18701 1173 1 2 . 1 1 58 58 LYS C C 58 178.339 178.339 178.510 -0.171 18701 1174 1 2 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.649 0.569 18701 1175 1 2 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.238 0.549 18701 1176 1 2 . 1 1 58 58 LYS H H 58 8.341 8.341 8.440 -0.099 18701 1177 1 2 . 1 1 59 59 LYS N N 59 114.611 114.611 116.321 -1.710 18701 1178 1 2 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.497 -0.603 18701 1179 1 2 . 1 1 59 59 LYS C C 59 178.404 178.404 178.443 -0.039 18701 1180 1 2 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.645 0.271 18701 1181 1 2 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.713 1.074 18701 1182 1 2 . 1 1 59 59 LYS H H 59 7.126 7.126 7.930 -0.804 18701 1183 1 2 . 1 1 60 60 LEU N N 60 117.334 117.334 119.067 -1.733 18701 1184 1 2 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.193 -0.059 18701 1185 1 2 . 1 1 60 60 LEU C C 60 179.619 179.619 178.635 0.984 18701 1186 1 2 . 1 1 60 60 LEU CA C 60 56.718 56.718 57.224 -0.506 18701 1187 1 2 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.507 0.617 18701 1188 1 2 . 1 1 60 60 LEU H H 60 7.343 7.343 7.473 -0.130 18701 1189 1 2 . 1 1 61 61 VAL N N 61 108.515 108.515 118.885 -10.370 18701 1190 1 2 . 1 1 61 61 VAL HA H 61 4.444 4.444 4.045 0.399 18701 1191 1 2 . 1 1 61 61 VAL C C 61 177.753 177.753 178.073 -0.320 18701 1192 1 2 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.673 -4.560 18701 1193 1 2 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.985 -0.012 18701 1194 1 2 . 1 1 61 61 VAL H H 61 7.730 7.730 8.010 -0.280 18701 1195 1 2 . 1 1 62 62 GLU N N 62 123.907 123.907 117.828 6.079 18701 1196 1 2 . 1 1 62 62 GLU HA H 62 4.026 4.026 4.173 -0.147 18701 1197 1 2 . 1 1 62 62 GLU C C 62 176.602 176.602 177.092 -0.490 18701 1198 1 2 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.408 0.833 18701 1199 1 2 . 1 1 62 62 GLU CB C 62 29.205 29.205 29.552 -0.347 18701 1200 1 2 . 1 1 62 62 GLU H H 62 7.583 7.583 8.346 -0.763 18701 1201 1 2 . 1 1 63 63 ASP N N 63 118.203 118.203 119.765 -1.562 18701 1202 1 2 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.727 -0.353 18701 1203 1 2 . 1 1 63 63 ASP C C 63 177.557 177.557 176.353 1.204 18701 1204 1 2 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.163 0.764 18701 1205 1 2 . 1 1 63 63 ASP CB C 63 40.031 40.031 42.362 -2.331 18701 1206 1 2 . 1 1 63 63 ASP H H 63 8.584 8.584 7.656 0.928 18701 1207 1 2 . 1 1 64 64 GLY N N 64 107.534 107.534 107.174 0.360 18701 1208 1 2 . 1 1 64 64 GLY C C 64 173.281 173.281 172.638 0.643 18701 1209 1 2 . 1 1 64 64 GLY CA C 64 46.317 46.317 44.858 1.459 18701 1210 1 2 . 1 1 64 64 GLY H H 64 8.036 8.036 7.887 0.149 18701 1211 1 2 . 1 1 65 65 LYS N N 65 115.632 115.632 119.943 -4.311 18701 1212 1 2 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.251 -0.045 18701 1213 1 2 . 1 1 65 65 LYS C C 65 176.233 176.233 175.750 0.483 18701 1214 1 2 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.896 0.577 18701 1215 1 2 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.292 2.759 18701 1216 1 2 . 1 1 65 65 LYS H H 65 8.197 8.197 8.496 -0.299 18701 1217 1 2 . 1 1 66 66 GLU N N 66 118.786 118.786 121.895 -3.109 18701 1218 1 2 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.458 -0.204 18701 1219 1 2 . 1 1 66 66 GLU C C 66 174.063 174.063 175.589 -1.526 18701 1220 1 2 . 1 1 66 66 GLU CA C 66 55.823 55.823 55.291 0.532 18701 1221 1 2 . 1 1 66 66 GLU CB C 66 33.031 33.031 31.319 1.712 18701 1222 1 2 . 1 1 66 66 GLU H H 66 7.775 7.775 8.103 -0.328 18701 1223 1 2 . 1 1 67 67 CYS N N 67 114.372 114.372 121.147 -6.775 18701 1224 1 2 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.596 -0.390 18701 1225 1 2 . 1 1 67 67 CYS C C 67 175.517 175.517 174.192 1.325 18701 1226 1 2 . 1 1 67 67 CYS CA C 67 56.431 56.431 57.415 -0.984 18701 1227 1 2 . 1 1 67 67 CYS CB C 67 29.465 29.465 30.303 -0.838 18701 1228 1 2 . 1 1 67 67 CYS H H 67 7.586 7.586 8.412 -0.826 18701 1229 1 2 . 1 1 68 68 ARG N N 68 117.544 117.544 122.232 -4.688 18701 1230 1 2 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.834 -0.428 18701 1231 1 2 . 1 1 68 68 ARG C C 68 176.624 176.624 175.479 1.145 18701 1232 1 2 . 1 1 68 68 ARG CA C 68 55.334 55.334 53.391 1.943 18701 1233 1 2 . 1 1 68 68 ARG CB C 68 32.376 32.376 33.016 -0.640 18701 1234 1 2 . 1 1 68 68 ARG H H 68 7.682 7.682 8.230 -0.548 18701 1235 1 2 . 1 1 69 69 TYR N N 69 115.996 115.996 121.705 -5.709 18701 1236 1 2 . 1 1 69 69 TYR HA H 69 5.819 5.819 4.758 1.061 18701 1237 1 2 . 1 1 69 69 TYR C C 69 175.300 175.300 175.394 -0.094 18701 1238 1 2 . 1 1 69 69 TYR CA C 69 54.379 54.379 58.444 -4.065 18701 1239 1 2 . 1 1 69 69 TYR CB C 69 41.998 41.998 39.358 2.640 18701 1240 1 2 . 1 1 69 69 TYR H H 69 8.139 8.139 9.142 -1.003 18701 1241 1 2 . 1 1 70 70 ALA N N 70 121.451 121.451 126.706 -5.255 18701 1242 1 2 . 1 1 70 70 ALA HA H 70 5.736 5.736 4.930 0.806 18701 1243 1 2 . 1 1 70 70 ALA C C 70 174.367 174.367 174.725 -0.358 18701 1244 1 2 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.010 2.449 18701 1245 1 2 . 1 1 70 70 ALA CB C 70 24.158 24.158 21.679 2.479 18701 1246 1 2 . 1 1 70 70 ALA H H 70 9.334 9.334 8.492 0.842 18701 1247 1 2 . 1 1 71 71 ALA N N 71 121.815 121.815 127.641 -5.826 18701 1248 1 2 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.609 0.259 18701 1249 1 2 . 1 1 71 71 ALA C C 71 175.495 175.495 174.924 0.571 18701 1250 1 2 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.045 1.046 18701 1251 1 2 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.888 -1.334 18701 1252 1 2 . 1 1 71 71 ALA H H 71 9.059 9.059 8.667 0.392 18701 1253 1 2 . 1 1 72 72 VAL N N 72 120.963 120.963 124.197 -3.234 18701 1254 1 2 . 1 1 72 72 VAL HA H 72 4.505 4.505 5.156 -0.651 18701 1255 1 2 . 1 1 72 72 VAL C C 72 173.194 173.194 174.070 -0.876 18701 1256 1 2 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.484 0.792 18701 1257 1 2 . 1 1 72 72 VAL CB C 72 35.066 35.066 36.284 -1.218 18701 1258 1 2 . 1 1 72 72 VAL H H 72 8.665 8.665 8.834 -0.169 18701 1259 1 2 . 1 1 73 73 ASP N N 73 128.360 128.360 130.467 -2.107 18701 1260 1 2 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.007 -0.036 18701 1261 1 2 . 1 1 73 73 ASP C C 73 175.256 175.256 174.322 0.934 18701 1262 1 2 . 1 1 73 73 ASP CA C 73 53.891 53.891 54.053 -0.163 18701 1263 1 2 . 1 1 73 73 ASP CB C 73 41.659 41.659 41.904 -0.245 18701 1264 1 2 . 1 1 73 73 ASP H H 73 8.896 8.896 8.540 0.356 18701 1265 1 2 . 1 1 74 74 VAL N N 74 127.568 127.568 125.319 2.249 18701 1266 1 2 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.546 -0.352 18701 1267 1 2 . 1 1 74 74 VAL C C 74 173.846 173.846 173.291 0.555 18701 1268 1 2 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.785 2.061 18701 1269 1 2 . 1 1 74 74 VAL CB C 74 33.682 33.682 36.529 -2.847 18701 1270 1 2 . 1 1 74 74 VAL H H 74 9.232 9.232 8.482 0.750 18701 1271 1 2 . 1 1 75 75 GLU N N 75 126.833 126.833 127.622 -0.789 18701 1272 1 2 . 1 1 75 75 GLU HA H 75 4.839 4.839 5.077 -0.238 18701 1273 1 2 . 1 1 75 75 GLU C C 75 175.799 175.799 174.858 0.941 18701 1274 1 2 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.000 1.578 18701 1275 1 2 . 1 1 75 75 GLU CB C 75 31.647 31.647 30.845 0.802 18701 1276 1 2 . 1 1 75 75 GLU H H 75 8.560 8.560 8.472 0.088 18701 1277 1 2 . 1 1 76 76 VAL N N 76 123.421 123.421 124.959 -1.538 18701 1278 1 2 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.176 0.256 18701 1279 1 2 . 1 1 76 76 VAL C C 76 174.562 174.562 176.088 -1.526 18701 1280 1 2 . 1 1 76 76 VAL CA C 76 60.462 60.462 60.761 -0.299 18701 1281 1 2 . 1 1 76 76 VAL CB C 76 34.822 34.822 32.895 1.927 18701 1282 1 2 . 1 1 76 76 VAL H H 76 9.032 9.032 8.207 0.825 18701 1283 1 2 . 1 1 77 77 THR N N 77 120.606 120.606 121.197 -0.591 18701 1284 1 2 . 1 1 77 77 THR HA H 77 4.876 4.876 4.510 0.366 18701 1285 1 2 . 1 1 77 77 THR C C 77 173.998 173.998 174.297 -0.299 18701 1286 1 2 . 1 1 77 77 THR CA C 77 62.172 62.172 62.348 -0.176 18701 1287 1 2 . 1 1 77 77 THR CB C 77 70.067 70.067 68.448 1.619 18701 1288 1 2 . 1 1 77 77 THR H H 77 8.402 8.402 8.482 -0.080 18701 1289 1 2 . 1 1 78 78 VAL N N 78 122.942 122.942 127.634 -4.692 18701 1290 1 2 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.406 -0.022 18701 1291 1 2 . 1 1 78 78 VAL C C 78 174.605 174.605 175.081 -0.476 18701 1292 1 2 . 1 1 78 78 VAL CA C 78 60.218 60.218 60.459 -0.241 18701 1293 1 2 . 1 1 78 78 VAL CB C 78 34.740 34.740 34.888 -0.148 18701 1294 1 2 . 1 1 78 78 VAL H H 78 8.781 8.781 8.823 -0.042 18701 1295 1 2 . 1 1 79 79 GLN N N 79 123.562 123.562 126.825 -3.263 18701 1296 1 2 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.186 0.194 18701 1297 1 2 . 1 1 79 79 GLN C C 79 175.647 175.647 175.224 0.423 18701 1298 1 2 . 1 1 79 79 GLN CA C 79 55.578 55.578 56.496 -0.918 18701 1299 1 2 . 1 1 79 79 GLN CB C 79 29.531 29.531 28.554 0.977 18701 1300 1 2 . 1 1 79 79 GLN H H 79 8.527 8.527 8.591 -0.064 18701 1301 1 2 . 1 1 80 80 ARG N N 80 125.030 125.030 125.851 -0.821 18701 1302 1 2 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.701 -0.424 18701 1303 1 2 . 1 1 80 80 ARG C C 80 175.864 175.864 174.995 0.869 18701 1304 1 2 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.475 2.429 18701 1305 1 2 . 1 1 80 80 ARG CB C 80 31.322 31.322 32.641 -1.319 18701 1306 1 2 . 1 1 80 80 ARG H H 80 8.516 8.516 8.125 0.391 18701 1307 1 2 . 1 1 81 81 GLN N N 81 122.473 122.473 118.337 4.136 18701 1308 1 2 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.157 0.048 18701 1309 1 2 . 1 1 81 81 GLN C C 81 176.776 176.776 177.473 -0.697 18701 1310 1 2 . 1 1 81 81 GLN CA C 81 56.625 56.625 56.978 -0.353 18701 1311 1 2 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.946 -0.066 18701 1312 1 2 . 1 1 81 81 GLN H H 81 8.609 8.609 8.494 0.115 18701 1313 1 2 . 1 1 82 82 GLY N N 82 112.685 112.685 113.577 -0.892 18701 1314 1 2 . 1 1 82 82 GLY C C 82 173.498 173.498 174.153 -0.655 18701 1315 1 2 . 1 1 82 82 GLY CA C 82 45.729 45.729 45.432 0.297 18701 1316 1 2 . 1 1 82 82 GLY H H 82 8.766 8.766 9.010 -0.244 18701 1317 1 2 . 1 1 83 83 ALA N N 83 123.093 123.093 128.523 -5.430 18701 1318 1 2 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.422 -0.013 18701 1319 1 2 . 1 1 83 83 ALA C C 83 176.971 176.971 176.059 0.912 18701 1320 1 2 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.316 0.849 18701 1321 1 2 . 1 1 83 83 ALA CB C 83 20.251 20.251 17.812 2.438 18701 1322 1 2 . 1 1 83 83 ALA H H 83 7.965 7.965 7.851 0.114 18701 1323 1 2 . 1 1 84 84 GLU N N 84 118.929 118.929 121.482 -2.553 18701 1324 1 2 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.428 -0.174 18701 1325 1 2 . 1 1 84 84 GLU C C 84 176.928 176.928 176.058 0.870 18701 1326 1 2 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.054 0.990 18701 1327 1 2 . 1 1 84 84 GLU CB C 84 30.426 30.426 28.807 1.619 18701 1328 1 2 . 1 1 84 84 GLU H H 84 8.390 8.390 7.703 0.687 18701 1329 1 2 . 1 1 85 85 GLY N N 85 109.042 109.042 113.187 -4.145 18701 1330 1 2 . 1 1 85 85 GLY C C 85 173.607 173.607 172.874 0.733 18701 1331 1 2 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.540 -0.543 18701 1332 1 2 . 1 1 85 85 GLY H H 85 8.220 8.220 8.199 0.021 18701 1333 1 2 . 1 1 86 86 THR N N 86 112.014 112.014 113.364 -1.350 18701 1334 1 2 . 1 1 86 86 THR HA H 86 4.792 4.792 4.650 0.142 18701 1335 1 2 . 1 1 86 86 THR C C 86 174.280 174.280 173.402 0.878 18701 1336 1 2 . 1 1 86 86 THR CA C 86 61.113 61.113 61.340 -0.227 18701 1337 1 2 . 1 1 86 86 THR CB C 86 71.532 71.532 69.886 1.646 18701 1338 1 2 . 1 1 86 86 THR H H 86 8.172 8.172 7.872 0.300 18701 1339 1 2 . 1 1 87 87 SER N N 87 117.161 117.161 120.839 -3.678 18701 1340 1 2 . 1 1 87 87 SER HA H 87 4.744 4.744 4.633 0.111 18701 1341 1 2 . 1 1 87 87 SER C C 87 172.956 172.956 173.857 -0.901 18701 1342 1 2 . 1 1 87 87 SER CA C 87 57.532 57.532 56.418 1.114 18701 1343 1 2 . 1 1 87 87 SER CB C 87 65.428 65.428 63.873 1.555 18701 1344 1 2 . 1 1 87 87 SER H H 87 8.782 8.782 8.116 0.666 18701 1345 1 2 . 1 1 88 88 THR N N 88 116.763 116.763 121.861 -5.098 18701 1346 1 2 . 1 1 88 88 THR HA H 88 5.151 5.151 4.639 0.512 18701 1347 1 2 . 1 1 88 88 THR C C 88 173.650 173.650 173.799 -0.149 18701 1348 1 2 . 1 1 88 88 THR CA C 88 61.439 61.439 61.118 0.321 18701 1349 1 2 . 1 1 88 88 THR CB C 88 71.125 71.125 68.821 2.304 18701 1350 1 2 . 1 1 88 88 THR H H 88 8.404 8.404 8.553 -0.149 18701 1351 1 2 . 1 1 89 89 LEU N N 89 126.308 126.308 128.695 -2.387 18701 1352 1 2 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.602 0.010 18701 1353 1 2 . 1 1 89 89 LEU C C 89 174.171 174.171 175.807 -1.636 18701 1354 1 2 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.919 0.265 18701 1355 1 2 . 1 1 89 89 LEU CB C 89 45.078 45.078 42.723 2.355 18701 1356 1 2 . 1 1 89 89 LEU H H 89 9.039 9.039 7.831 1.208 18701 1357 1 2 . 1 1 90 90 ASN N N 90 120.749 120.749 123.087 -2.338 18701 1358 1 2 . 1 1 90 90 ASN HA H 90 5.641 5.641 4.997 0.644 18701 1359 1 2 . 1 1 90 90 ASN C C 90 174.757 174.757 175.016 -0.259 18701 1360 1 2 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.728 0.653 18701 1361 1 2 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.307 1.457 18701 1362 1 2 . 1 1 90 90 ASN H H 90 8.347 8.347 8.738 -0.391 18701 1363 1 2 . 1 1 91 91 LYS N N 91 123.843 123.843 124.311 -0.468 18701 1364 1 2 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.823 -0.127 18701 1365 1 2 . 1 1 91 91 LYS C C 91 173.629 173.629 174.986 -1.357 18701 1366 1 2 . 1 1 91 91 LYS CA C 91 54.314 54.314 53.965 0.349 18701 1367 1 2 . 1 1 91 91 LYS CB C 91 36.531 36.531 35.883 0.648 18701 1368 1 2 . 1 1 91 91 LYS H H 91 9.087 9.087 8.875 0.212 18701 1369 1 2 . 1 1 92 92 VAL N N 92 123.150 123.150 126.874 -3.724 18701 1370 1 2 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.480 0.623 18701 1371 1 2 . 1 1 92 92 VAL C C 92 175.517 175.517 175.605 -0.088 18701 1372 1 2 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.927 -0.244 18701 1373 1 2 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.195 -0.222 18701 1374 1 2 . 1 1 92 92 VAL H H 92 8.479 8.479 8.758 -0.279 18701 1375 1 2 . 1 1 93 93 ILE N N 93 120.433 120.433 130.438 -10.005 18701 1376 1 2 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.479 0.875 18701 1377 1 2 . 1 1 93 93 ILE C C 93 174.215 174.215 173.955 0.260 18701 1378 1 2 . 1 1 93 93 ILE CA C 93 59.262 59.262 60.290 -1.028 18701 1379 1 2 . 1 1 93 93 ILE CB C 93 41.008 41.008 40.036 0.972 18701 1380 1 2 . 1 1 93 93 ILE H H 93 9.155 9.155 8.733 0.422 18701 1381 1 2 . 1 1 94 94 PHE N N 94 122.349 122.349 129.273 -6.924 18701 1382 1 2 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.417 0.164 18701 1383 1 2 . 1 1 94 94 PHE C C 94 173.042 173.042 173.527 -0.485 18701 1384 1 2 . 1 1 94 94 PHE CA C 94 56.397 56.397 56.004 0.393 18701 1385 1 2 . 1 1 94 94 PHE CB C 94 42.392 42.392 41.998 0.394 18701 1386 1 2 . 1 1 94 94 PHE H H 94 9.002 9.002 8.793 0.209 18701 1387 1 2 . 1 1 95 95 VAL N N 95 126.937 126.937 127.894 -0.957 18701 1388 1 2 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.954 -0.248 18701 1389 1 2 . 1 1 95 95 VAL C C 95 174.128 174.128 174.556 -0.428 18701 1390 1 2 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.176 0.332 18701 1391 1 2 . 1 1 95 95 VAL CB C 95 35.554 35.554 33.813 1.741 18701 1392 1 2 . 1 1 95 95 VAL H H 95 8.978 8.978 9.013 -0.035 18701 1393 1 2 . 1 1 96 96 GLN N N 96 124.946 124.946 127.212 -2.266 18701 1394 1 2 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.744 -0.012 18701 1395 1 2 . 1 1 96 96 GLN C C 96 172.912 172.912 174.221 -1.309 18701 1396 1 2 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.722 0.699 18701 1397 1 2 . 1 1 96 96 GLN CB C 96 31.403 31.403 30.426 0.977 18701 1398 1 2 . 1 1 96 96 GLN H H 96 8.516 8.516 9.259 -0.743 18701 1399 1 2 . 1 1 97 97 TYR N N 97 129.236 129.236 128.195 1.041 18701 1400 1 2 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.436 -0.417 18701 1401 1 2 . 1 1 97 97 TYR C C 97 174.844 174.844 173.856 0.988 18701 1402 1 2 . 1 1 97 97 TYR CA C 97 57.244 57.244 56.607 0.637 18701 1403 1 2 . 1 1 97 97 TYR CB C 97 41.252 41.252 39.311 1.941 18701 1404 1 2 . 1 1 97 97 TYR H H 97 9.030 9.030 8.376 0.654 18701 1405 1 2 . 1 1 98 98 CYS N N 98 127.084 127.084 126.630 0.454 18701 1406 1 2 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.335 0.397 18701 1407 1 2 . 1 1 98 98 CYS CA C 98 54.602 54.602 55.523 -0.921 18701 1408 1 2 . 1 1 98 98 CYS CB C 98 29.042 29.042 30.405 -1.363 18701 1409 1 2 . 1 1 98 98 CYS H H 98 8.227 8.227 8.738 -0.511 18701 1410 1 2 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.383 0.360 18701 1411 1 2 . 1 1 99 99 PRO C C 99 177.492 177.492 177.026 0.466 18701 1412 1 2 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.729 -0.150 18701 1413 1 2 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.557 -0.096 18701 1414 1 2 . 1 1 100 100 ASP N N 100 120.420 120.420 120.699 -0.279 18701 1415 1 2 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.381 -0.163 18701 1416 1 2 . 1 1 100 100 ASP C C 100 176.993 176.993 177.071 -0.078 18701 1417 1 2 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.825 0.543 18701 1418 1 2 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.678 0.004 18701 1419 1 2 . 1 1 100 100 ASP H H 100 8.584 8.584 8.566 0.018 18701 1420 1 2 . 1 1 101 101 ASN N N 101 112.580 112.580 116.945 -4.365 18701 1421 1 2 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.614 0.177 18701 1422 1 2 . 1 1 101 101 ASN C C 101 175.256 175.256 174.453 0.803 18701 1423 1 2 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.973 -0.189 18701 1424 1 2 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.461 -0.383 18701 1425 1 2 . 1 1 101 101 ASN H H 101 8.055 8.055 8.083 -0.028 18701 1426 1 2 . 1 1 102 102 ALA N N 102 123.140 123.140 123.616 -0.476 18701 1427 1 2 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.350 0.191 18701 1428 1 2 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.626 0.921 18701 1429 1 2 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.315 -0.913 18701 1430 1 2 . 1 1 102 102 ALA H H 102 7.207 7.207 7.087 0.120 18701 1431 1 2 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.264 0.168 18701 1432 1 2 . 1 1 103 103 PRO C C 103 178.208 178.208 177.764 0.444 18701 1433 1 2 . 1 1 103 103 PRO CA C 103 63.148 63.148 63.527 -0.379 18701 1434 1 2 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.035 0.345 18701 1435 1 2 . 1 1 104 104 VAL N N 104 125.953 125.953 125.772 0.181 18701 1436 1 2 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.561 0.035 18701 1437 1 2 . 1 1 104 104 VAL C C 104 177.210 177.210 178.171 -0.961 18701 1438 1 2 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.783 0.110 18701 1439 1 2 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.994 -0.021 18701 1440 1 2 . 1 1 104 104 VAL H H 104 8.747 8.747 8.636 0.111 18701 1441 1 2 . 1 1 105 105 ARG N N 105 118.556 118.556 119.338 -0.782 18701 1442 1 2 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.086 -0.001 18701 1443 1 2 . 1 1 105 105 ARG C C 105 179.185 179.185 178.610 0.575 18701 1444 1 2 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.518 0.130 18701 1445 1 2 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.308 0.386 18701 1446 1 2 . 1 1 105 105 ARG H H 105 8.866 8.866 8.637 0.229 18701 1447 1 2 . 1 1 106 106 ARG N N 106 118.188 118.188 119.573 -1.385 18701 1448 1 2 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.250 -0.032 18701 1449 1 2 . 1 1 106 106 ARG C C 106 177.991 177.991 178.364 -0.373 18701 1450 1 2 . 1 1 106 106 ARG CA C 106 58.579 58.579 58.661 -0.082 18701 1451 1 2 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.233 -0.132 18701 1452 1 2 . 1 1 106 106 ARG H H 106 7.140 7.140 7.880 -0.740 18701 1453 1 2 . 1 1 107 107 ARG N N 107 119.484 119.484 121.443 -1.959 18701 1454 1 2 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.081 -0.066 18701 1455 1 2 . 1 1 107 107 ARG C C 107 179.424 179.424 178.637 0.787 18701 1456 1 2 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.576 2.049 18701 1457 1 2 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.450 0.813 18701 1458 1 2 . 1 1 107 107 ARG H H 107 8.246 8.246 8.585 -0.339 18701 1459 1 2 . 1 1 108 108 MET N N 108 117.193 117.193 119.825 -2.632 18701 1460 1 2 . 1 1 108 108 MET HA H 108 4.218 4.218 4.215 0.003 18701 1461 1 2 . 1 1 108 108 MET C C 108 178.968 178.968 178.170 0.798 18701 1462 1 2 . 1 1 108 108 MET CA C 108 58.671 58.671 58.143 0.528 18701 1463 1 2 . 1 1 108 108 MET CB C 108 32.380 32.380 32.030 0.350 18701 1464 1 2 . 1 1 108 108 MET H H 108 8.599 8.599 8.514 0.085 18701 1465 1 2 . 1 1 109 109 LEU N N 109 123.421 123.421 119.534 3.887 18701 1466 1 2 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.891 0.303 18701 1467 1 2 . 1 1 109 109 LEU C C 109 180.444 180.444 178.968 1.476 18701 1468 1 2 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.941 0.242 18701 1469 1 2 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.376 1.016 18701 1470 1 2 . 1 1 109 109 LEU H H 109 7.924 7.924 7.497 0.427 18701 1471 1 2 . 1 1 110 110 TYR N N 110 120.798 120.798 120.506 0.292 18701 1472 1 2 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.261 -0.068 18701 1473 1 2 . 1 1 110 110 TYR C C 110 180.574 180.574 178.288 2.286 18701 1474 1 2 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.444 0.158 18701 1475 1 2 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.527 -0.694 18701 1476 1 2 . 1 1 110 110 TYR H H 110 8.761 8.761 8.682 0.079 18701 1477 1 2 . 1 1 111 111 ALA N N 111 123.703 123.703 121.232 2.471 18701 1478 1 2 . 1 1 111 111 ALA HA H 111 4.362 4.362 4.096 0.266 18701 1479 1 2 . 1 1 111 111 ALA C C 111 180.314 180.314 179.947 0.367 18701 1480 1 2 . 1 1 111 111 ALA CA C 111 55.660 55.660 55.091 0.569 18701 1481 1 2 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.253 0.208 18701 1482 1 2 . 1 1 111 111 ALA H H 111 8.668 8.668 8.639 0.029 18701 1483 1 2 . 1 1 112 112 SER N N 112 112.404 112.404 114.630 -2.226 18701 1484 1 2 . 1 1 112 112 SER HA H 112 4.360 4.360 4.112 0.248 18701 1485 1 2 . 1 1 112 112 SER C C 112 176.949 176.949 176.781 0.168 18701 1486 1 2 . 1 1 112 112 SER CA C 112 60.869 60.869 62.292 -1.423 18701 1487 1 2 . 1 1 112 112 SER CB C 112 63.474 63.474 62.997 0.477 18701 1488 1 2 . 1 1 112 112 SER H H 112 8.532 8.532 8.347 0.185 18701 1489 1 2 . 1 1 113 113 SER N N 113 115.828 115.828 117.590 -1.762 18701 1490 1 2 . 1 1 113 113 SER HA H 113 4.552 4.552 4.245 0.307 18701 1491 1 2 . 1 1 113 113 SER C C 113 173.390 173.390 175.924 -2.534 18701 1492 1 2 . 1 1 113 113 SER CA C 113 60.218 60.218 60.122 0.096 18701 1493 1 2 . 1 1 113 113 SER CB C 113 63.393 63.393 62.232 1.161 18701 1494 1 2 . 1 1 113 113 SER H H 113 7.607 7.607 8.021 -0.414 18701 1495 1 2 . 1 1 114 114 VAL N N 114 119.484 119.484 122.682 -3.198 18701 1496 1 2 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.512 -0.155 18701 1497 1 2 . 1 1 114 114 VAL C C 114 176.016 176.016 177.394 -1.378 18701 1498 1 2 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.530 -1.916 18701 1499 1 2 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.302 0.590 18701 1500 1 2 . 1 1 114 114 VAL H H 114 6.999 6.999 7.582 -0.583 18701 1501 1 2 . 1 1 115 115 ARG N N 115 121.686 121.686 119.264 2.422 18701 1502 1 2 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.926 -0.226 18701 1503 1 2 . 1 1 115 115 ARG C C 115 178.360 178.360 177.874 0.486 18701 1504 1 2 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.395 1.497 18701 1505 1 2 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.305 -0.100 18701 1506 1 2 . 1 1 115 115 ARG H H 115 7.740 7.740 7.750 -0.010 18701 1507 1 2 . 1 1 116 116 ALA N N 116 121.346 121.346 121.756 -0.410 18701 1508 1 2 . 1 1 116 116 ALA HA H 116 4.039 4.039 3.925 0.114 18701 1509 1 2 . 1 1 116 116 ALA C C 116 180.335 180.335 179.220 1.115 18701 1510 1 2 . 1 1 116 116 ALA CA C 116 54.764 54.764 55.131 -0.367 18701 1511 1 2 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.419 -0.527 18701 1512 1 2 . 1 1 116 116 ALA H H 116 7.737 7.737 7.322 0.415 18701 1513 1 2 . 1 1 117 117 LEU N N 117 119.203 119.203 115.877 3.326 18701 1514 1 2 . 1 1 117 117 LEU HA H 117 3.655 3.655 4.021 -0.366 18701 1515 1 2 . 1 1 117 117 LEU C C 117 177.449 177.449 178.466 -1.017 18701 1516 1 2 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.280 0.577 18701 1517 1 2 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.660 0.918 18701 1518 1 2 . 1 1 117 117 LEU H H 117 6.785 6.785 7.619 -0.834 18701 1519 1 2 . 1 1 118 118 LYS N N 118 114.804 114.804 120.465 -5.661 18701 1520 1 2 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.523 0.839 18701 1521 1 2 . 1 1 118 118 LYS C C 118 178.686 178.686 178.257 0.429 18701 1522 1 2 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.229 0.745 18701 1523 1 2 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.062 0.399 18701 1524 1 2 . 1 1 118 118 LYS H H 118 8.132 8.132 7.794 0.338 18701 1525 1 2 . 1 1 119 119 ALA N N 119 119.833 119.833 118.074 1.759 18701 1526 1 2 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.218 -0.061 18701 1527 1 2 . 1 1 119 119 ALA C C 119 180.183 180.183 180.130 0.053 18701 1528 1 2 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.399 0.040 18701 1529 1 2 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.400 -0.021 18701 1530 1 2 . 1 1 119 119 ALA H H 119 8.068 8.068 7.467 0.601 18701 1531 1 2 . 1 1 120 120 SER N N 120 112.312 112.312 114.988 -2.676 18701 1532 1 2 . 1 1 120 120 SER HA H 120 4.073 4.073 4.232 -0.159 18701 1533 1 2 . 1 1 120 120 SER C C 120 175.799 175.799 175.343 0.456 18701 1534 1 2 . 1 1 120 120 SER CA C 120 61.602 61.602 60.981 0.621 18701 1535 1 2 . 1 1 120 120 SER CB C 120 63.555 63.555 63.418 0.137 18701 1536 1 2 . 1 1 120 120 SER H H 120 7.713 7.713 7.489 0.224 18701 1537 1 2 . 1 1 121 121 LEU N N 121 116.812 116.812 120.328 -3.516 18701 1538 1 2 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.111 -0.026 18701 1539 1 2 . 1 1 121 121 LEU C C 121 176.125 176.125 175.766 0.359 18701 1540 1 2 . 1 1 121 121 LEU CA C 121 55.904 55.904 53.248 2.656 18701 1541 1 2 . 1 1 121 121 LEU CB C 121 41.252 41.252 40.792 0.460 18701 1542 1 2 . 1 1 121 121 LEU H H 121 7.272 7.272 7.583 -0.311 18701 1543 1 2 . 1 1 122 122 GLY N N 122 108.734 108.734 106.418 2.316 18701 1544 1 2 . 1 1 122 122 GLY C C 122 176.754 176.754 175.064 1.690 18701 1545 1 2 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.983 1.293 18701 1546 1 2 . 1 1 122 122 GLY H H 122 7.377 7.377 7.263 0.114 18701 1547 1 2 . 1 1 123 123 LEU N N 123 116.950 116.950 119.487 -2.537 18701 1548 1 2 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.383 -0.238 18701 1549 1 2 . 1 1 123 123 LEU C C 123 178.187 178.187 178.114 0.073 18701 1550 1 2 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.625 0.325 18701 1551 1 2 . 1 1 123 123 LEU CB C 123 41.903 41.903 40.747 1.156 18701 1552 1 2 . 1 1 123 123 LEU H H 123 8.201 8.201 7.235 0.966 18701 1553 1 2 . 1 1 124 124 GLU N N 124 120.328 120.328 121.647 -1.319 18701 1554 1 2 . 1 1 124 124 GLU HA H 124 3.704 3.704 3.910 -0.206 18701 1555 1 2 . 1 1 124 124 GLU C C 124 176.970 176.970 177.516 -0.546 18701 1556 1 2 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.126 1.336 18701 1557 1 2 . 1 1 124 124 GLU CB C 124 29.205 29.205 28.828 0.377 18701 1558 1 2 . 1 1 124 124 GLU H H 124 9.213 9.213 8.547 0.666 18701 1559 1 2 . 1 1 125 125 SER N N 125 110.938 110.938 113.643 -2.705 18701 1560 1 2 . 1 1 125 125 SER HA H 125 4.456 4.456 4.631 -0.175 18701 1561 1 2 . 1 1 125 125 SER C C 125 174.475 174.475 173.634 0.841 18701 1562 1 2 . 1 1 125 125 SER CA C 125 58.590 58.590 57.903 0.687 18701 1563 1 2 . 1 1 125 125 SER CB C 125 63.555 63.555 63.170 0.385 18701 1564 1 2 . 1 1 125 125 SER H H 125 8.308 8.308 8.369 -0.061 18701 1565 1 2 . 1 1 126 126 LEU N N 126 121.193 121.193 123.004 -1.811 18701 1566 1 2 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.630 -0.161 18701 1567 1 2 . 1 1 126 126 LEU C C 126 177.774 177.774 176.263 1.511 18701 1568 1 2 . 1 1 126 126 LEU CA C 126 54.927 54.927 54.011 0.916 18701 1569 1 2 . 1 1 126 126 LEU CB C 126 42.066 42.066 42.725 -0.659 18701 1570 1 2 . 1 1 126 126 LEU H H 126 7.178 7.178 7.364 -0.186 18701 1571 1 2 . 1 1 127 127 PHE N N 127 125.109 125.109 123.160 1.949 18701 1572 1 2 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.498 -0.150 18701 1573 1 2 . 1 1 127 127 PHE C C 127 173.542 173.542 174.500 -0.958 18701 1574 1 2 . 1 1 127 127 PHE CA C 127 59.816 59.816 58.554 1.262 18701 1575 1 2 . 1 1 127 127 PHE CB C 127 39.950 39.950 41.158 -1.208 18701 1576 1 2 . 1 1 127 127 PHE H H 127 9.050 9.050 8.834 0.216 18701 1577 1 2 . 1 1 128 128 GLN N N 128 125.953 125.953 126.849 -0.896 18701 1578 1 2 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.456 0.054 18701 1579 1 2 . 1 1 128 128 GLN C C 128 174.736 174.736 174.082 0.654 18701 1580 1 2 . 1 1 128 128 GLN CA C 128 53.532 53.532 53.820 -0.288 18701 1581 1 2 . 1 1 128 128 GLN CB C 128 31.973 31.973 31.206 0.767 18701 1582 1 2 . 1 1 128 128 GLN H H 128 7.618 7.618 7.929 -0.311 18701 1583 1 2 . 1 1 129 129 VAL N N 129 123.703 123.703 126.720 -3.017 18701 1584 1 2 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.274 -0.199 18701 1585 1 2 . 1 1 129 129 VAL C C 129 174.736 174.736 174.349 0.387 18701 1586 1 2 . 1 1 129 129 VAL CA C 129 61.439 61.439 59.800 1.639 18701 1587 1 2 . 1 1 129 129 VAL CB C 129 34.984 34.984 34.522 0.463 18701 1588 1 2 . 1 1 129 129 VAL H H 129 8.948 8.948 9.247 -0.299 18701 1589 1 2 . 1 1 130 130 GLN N N 130 129.187 129.187 123.391 5.796 18701 1590 1 2 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.971 -0.240 18701 1591 1 2 . 1 1 130 130 GLN C C 130 173.780 173.780 174.236 -0.456 18701 1592 1 2 . 1 1 130 130 GLN CA C 130 55.009 55.009 53.850 1.159 18701 1593 1 2 . 1 1 130 130 GLN CB C 130 28.391 28.391 29.937 -1.546 18701 1594 1 2 . 1 1 130 130 GLN H H 130 8.988 8.988 8.474 0.514 18701 1595 1 2 . 1 1 131 131 ALA N N 131 127.359 127.359 129.041 -1.682 18701 1596 1 2 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.184 -0.368 18701 1597 1 2 . 1 1 131 131 ALA C C 131 174.909 174.909 176.420 -1.511 18701 1598 1 2 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.378 0.387 18701 1599 1 2 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.604 1.147 18701 1600 1 2 . 1 1 131 131 ALA H H 131 8.663 8.663 9.103 -0.440 18701 1601 1 2 . 1 1 132 132 SER N N 132 116.281 116.281 119.222 -2.941 18701 1602 1 2 . 1 1 132 132 SER HA H 132 4.085 4.085 4.497 -0.412 18701 1603 1 2 . 1 1 132 132 SER C C 132 172.087 172.087 174.480 -2.393 18701 1604 1 2 . 1 1 132 132 SER CA C 132 57.667 57.667 59.764 -2.097 18701 1605 1 2 . 1 1 132 132 SER CB C 132 65.916 65.916 64.163 1.753 18701 1606 1 2 . 1 1 132 132 SER H H 132 9.369 9.369 8.900 0.469 18701 1607 1 2 . 1 1 133 133 GLU N N 133 119.487 119.487 115.439 4.048 18701 1608 1 2 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.662 0.165 18701 1609 1 2 . 1 1 133 133 GLU C C 133 177.666 177.666 177.527 0.139 18701 1610 1 2 . 1 1 133 133 GLU CA C 133 54.998 54.998 54.900 0.098 18701 1611 1 2 . 1 1 133 133 GLU CB C 133 33.112 33.112 31.952 1.160 18701 1612 1 2 . 1 1 133 133 GLU H H 133 7.739 7.739 7.634 0.105 18701 1613 1 2 . 1 1 134 134 MET N N 134 122.237 122.237 115.970 6.267 18701 1614 1 2 . 1 1 134 134 MET HA H 134 4.529 4.529 4.367 0.162 18701 1615 1 2 . 1 1 134 134 MET C C 134 180.856 180.856 176.434 4.422 18701 1616 1 2 . 1 1 134 134 MET CA C 134 56.593 56.593 58.119 -1.526 18701 1617 1 2 . 1 1 134 134 MET CB C 134 29.042 29.042 32.731 -3.689 18701 1618 1 2 . 1 1 134 134 MET H H 134 9.143 9.143 8.893 0.250 18701 1619 1 2 . 1 1 135 135 SER N N 135 116.214 116.214 113.268 2.946 18701 1620 1 2 . 1 1 135 135 SER HA H 135 4.205 4.205 4.384 -0.179 18701 1621 1 2 . 1 1 135 135 SER C C 135 176.993 176.993 175.698 1.295 18701 1622 1 2 . 1 1 135 135 SER CA C 135 61.216 61.216 60.381 0.835 18701 1623 1 2 . 1 1 135 135 SER CB C 135 62.253 62.253 63.448 -1.195 18701 1624 1 2 . 1 1 135 135 SER H H 135 8.659 8.659 7.941 0.718 18701 1625 1 2 . 1 1 136 136 ASP N N 136 122.296 122.296 121.859 0.437 18701 1626 1 2 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.679 -0.126 18701 1627 1 2 . 1 1 136 136 ASP C C 136 175.647 175.647 177.687 -2.040 18701 1628 1 2 . 1 1 136 136 ASP CA C 136 56.881 56.881 55.954 0.927 18701 1629 1 2 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.320 0.339 18701 1630 1 2 . 1 1 136 136 ASP H H 136 7.861 7.861 7.789 0.072 18701 1631 1 2 . 1 1 137 137 LEU N N 137 113.859 113.859 115.513 -1.654 18701 1632 1 2 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.571 -0.054 18701 1633 1 2 . 1 1 137 137 LEU C C 137 176.038 176.038 176.411 -0.373 18701 1634 1 2 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.974 -1.756 18701 1635 1 2 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.166 0.656 18701 1636 1 2 . 1 1 137 137 LEU H H 137 7.617 7.617 7.428 0.189 18701 1637 1 2 . 1 1 138 138 ASP N N 138 119.906 119.906 120.827 -0.921 18701 1638 1 2 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.529 -0.204 18701 1639 1 2 . 1 1 138 138 ASP C C 138 175.842 175.842 177.567 -1.725 18701 1640 1 2 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.626 1.359 18701 1641 1 2 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.645 0.642 18701 1642 1 2 . 1 1 138 138 ASP H H 138 7.119 7.119 7.292 -0.173 18701 1643 1 2 . 1 1 139 139 GLU N N 139 128.062 128.062 125.012 3.050 18701 1644 1 2 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.974 -0.665 18701 1645 1 2 . 1 1 139 139 GLU C C 139 177.275 177.275 177.874 -0.599 18701 1646 1 2 . 1 1 139 139 GLU CA C 139 60.299 60.299 59.022 1.277 18701 1647 1 2 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.128 1.380 18701 1648 1 2 . 1 1 139 139 GLU H H 139 8.943 8.943 8.925 0.018 18701 1649 1 2 . 1 1 140 140 LYS N N 140 115.993 115.993 119.267 -3.274 18701 1650 1 2 . 1 1 140 140 LYS HA H 140 3.894 3.894 4.056 -0.162 18701 1651 1 2 . 1 1 140 140 LYS C C 140 179.771 179.771 178.214 1.557 18701 1652 1 2 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.544 1.011 18701 1653 1 2 . 1 1 140 140 LYS CB C 140 31.973 31.973 32.106 -0.133 18701 1654 1 2 . 1 1 140 140 LYS H H 140 8.243 8.243 8.637 -0.394 18701 1655 1 2 . 1 1 141 141 SER N N 141 116.877 116.877 113.073 3.804 18701 1656 1 2 . 1 1 141 141 SER HA H 141 4.184 4.184 4.575 -0.391 18701 1657 1 2 . 1 1 141 141 SER C C 141 175.973 175.973 175.827 0.146 18701 1658 1 2 . 1 1 141 141 SER CA C 141 61.737 61.737 60.286 1.450 18701 1659 1 2 . 1 1 141 141 SER CB C 141 62.986 62.986 65.454 -2.468 18701 1660 1 2 . 1 1 141 141 SER H H 141 7.856 7.856 7.945 -0.089 18701 1661 1 2 . 1 1 142 142 VAL N N 142 121.874 121.874 121.436 0.438 18701 1662 1 2 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.695 0.081 18701 1663 1 2 . 1 1 142 142 VAL C C 142 178.165 178.165 177.338 0.827 18701 1664 1 2 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.711 -0.981 18701 1665 1 2 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.366 1.014 18701 1666 1 2 . 1 1 142 142 VAL H H 142 8.476 8.476 7.589 0.887 18701 1667 1 2 . 1 1 143 143 LYS N N 143 116.141 116.141 119.010 -2.869 18701 1668 1 2 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.968 -0.349 18701 1669 1 2 . 1 1 143 143 LYS C C 143 178.512 178.512 178.952 -0.440 18701 1670 1 2 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.384 1.892 18701 1671 1 2 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.782 0.354 18701 1672 1 2 . 1 1 143 143 LYS H H 143 8.157 8.157 8.161 -0.004 18701 1673 1 2 . 1 1 144 144 SER N N 144 113.862 113.862 114.356 -0.494 18701 1674 1 2 . 1 1 144 144 SER HA H 144 4.158 4.158 4.228 -0.070 18701 1675 1 2 . 1 1 144 144 SER C C 144 177.340 177.340 176.967 0.373 18701 1676 1 2 . 1 1 144 144 SER CA C 144 61.769 61.769 61.882 -0.113 18701 1677 1 2 . 1 1 144 144 SER CB C 144 62.986 62.986 62.953 0.033 18701 1678 1 2 . 1 1 144 144 SER H H 144 7.754 7.754 7.766 -0.012 18701 1679 1 2 . 1 1 145 145 ASP N N 145 123.316 123.316 122.828 0.488 18701 1680 1 2 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.559 -0.151 18701 1681 1 2 . 1 1 145 145 ASP C C 145 178.708 178.708 178.196 0.512 18701 1682 1 2 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.704 -0.335 18701 1683 1 2 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.276 -1.082 18701 1684 1 2 . 1 1 145 145 ASP H H 145 8.172 8.172 7.742 0.430 18701 1685 1 2 . 1 1 146 146 LEU N N 146 121.453 121.453 119.253 2.200 18701 1686 1 2 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.174 -1.116 18701 1687 1 2 . 1 1 146 146 LEU C C 146 178.447 178.447 178.709 -0.262 18701 1688 1 2 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.981 -0.612 18701 1689 1 2 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.534 1.102 18701 1690 1 2 . 1 1 146 146 LEU H H 146 8.186 8.186 8.314 -0.128 18701 1691 1 2 . 1 1 147 147 MET N N 147 115.468 115.468 117.473 -2.005 18701 1692 1 2 . 1 1 147 147 MET HA H 147 4.314 4.314 4.443 -0.129 18701 1693 1 2 . 1 1 147 147 MET C C 147 177.839 177.839 178.094 -0.255 18701 1694 1 2 . 1 1 147 147 MET CA C 147 56.311 56.311 57.844 -1.533 18701 1695 1 2 . 1 1 147 147 MET CB C 147 31.891 31.891 31.588 0.303 18701 1696 1 2 . 1 1 147 147 MET H H 147 7.622 7.622 7.799 -0.177 18701 1697 1 2 . 1 1 148 148 SER N N 148 115.203 115.203 114.500 0.703 18701 1698 1 2 . 1 1 148 148 SER HA H 148 4.338 4.338 4.292 0.046 18701 1699 1 2 . 1 1 148 148 SER C C 148 174.953 174.953 176.006 -1.053 18701 1700 1 2 . 1 1 148 148 SER CA C 148 60.137 60.137 60.859 -0.722 18701 1701 1 2 . 1 1 148 148 SER CB C 148 63.637 63.637 63.408 0.229 18701 1702 1 2 . 1 1 148 148 SER H H 148 7.836 7.836 7.659 0.177 18701 1703 1 2 . 1 1 149 149 ASN N N 149 119.635 119.635 119.661 -0.026 18701 1704 1 2 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.576 0.107 18701 1705 1 2 . 1 1 149 149 ASN C C 149 174.953 174.953 177.281 -2.328 18701 1706 1 2 . 1 1 149 149 ASN CA C 149 54.439 54.439 53.937 0.502 18701 1707 1 2 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.614 2.092 18701 1708 1 2 . 1 1 149 149 ASN H H 149 8.040 8.040 8.192 -0.152 18701 1709 1 2 . 1 1 150 150 GLN N N 150 118.805 118.805 117.812 0.993 18701 1710 1 2 . 1 1 150 150 GLN HA H 150 4.313 4.313 4.151 0.162 18701 1711 1 2 . 1 1 150 150 GLN C C 150 175.365 175.365 176.236 -0.871 18701 1712 1 2 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.002 -2.179 18701 1713 1 2 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.177 0.110 18701 1714 1 2 . 1 1 150 150 GLN H H 150 8.041 8.041 7.759 0.282 18701 1715 1 2 . 1 1 151 151 ARG N N 151 122.082 122.082 116.165 5.917 18701 1716 1 2 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.607 -0.245 18701 1717 1 2 . 1 1 151 151 ARG C C 151 175.213 175.213 173.765 1.448 18701 1718 1 2 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.893 0.439 18701 1719 1 2 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.675 -0.249 18701 1720 1 2 . 1 1 151 151 ARG H H 151 8.221 8.221 7.425 0.796 18701 1721 1 3 . 1 1 2 2 ALA N N 2 126.155 126.155 125.788 0.367 18701 1722 1 3 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.563 -0.221 18701 1723 1 3 . 1 1 2 2 ALA C C 2 177.458 177.458 175.496 1.962 18701 1724 1 3 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.936 -0.120 18701 1725 1 3 . 1 1 2 2 ALA CB C 2 19.437 19.437 20.187 -0.750 18701 1726 1 3 . 1 1 2 2 ALA H H 2 8.404 8.404 8.223 0.181 18701 1727 1 3 . 1 1 3 3 SER N N 3 115.406 115.406 113.673 1.733 18701 1728 1 3 . 1 1 3 3 SER HA H 3 4.409 4.409 4.612 -0.203 18701 1729 1 3 . 1 1 3 3 SER C C 3 174.739 174.739 174.470 0.269 18701 1730 1 3 . 1 1 3 3 SER CA C 3 58.346 58.346 57.579 0.767 18701 1731 1 3 . 1 1 3 3 SER CB C 3 64.207 64.207 65.662 -1.455 18701 1732 1 3 . 1 1 3 3 SER H H 3 8.283 8.283 7.998 0.285 18701 1733 1 3 . 1 1 4 4 GLY N N 4 110.853 110.853 108.651 2.202 18701 1734 1 3 . 1 1 4 4 GLY C C 4 173.502 173.502 173.277 0.225 18701 1735 1 3 . 1 1 4 4 GLY CA C 4 45.078 45.078 45.204 -0.126 18701 1736 1 3 . 1 1 4 4 GLY H H 4 8.358 8.358 8.542 -0.184 18701 1737 1 3 . 1 1 5 5 VAL N N 5 119.781 119.781 121.155 -1.374 18701 1738 1 3 . 1 1 5 5 VAL HA H 5 3.883 3.883 4.115 -0.232 18701 1739 1 3 . 1 1 5 5 VAL C C 5 175.390 175.390 175.797 -0.407 18701 1740 1 3 . 1 1 5 5 VAL CA C 5 62.518 62.518 62.345 0.173 18701 1741 1 3 . 1 1 5 5 VAL CB C 5 32.705 32.705 32.572 0.133 18701 1742 1 3 . 1 1 5 5 VAL H H 5 7.836 7.836 7.647 0.189 18701 1743 1 3 . 1 1 6 6 LYS N N 6 124.873 124.873 127.556 -2.683 18701 1744 1 3 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.496 -0.027 18701 1745 1 3 . 1 1 6 6 LYS C C 6 175.278 175.278 175.599 -0.321 18701 1746 1 3 . 1 1 6 6 LYS CA C 6 54.927 54.927 54.782 0.145 18701 1747 1 3 . 1 1 6 6 LYS CB C 6 34.577 34.577 32.974 1.603 18701 1748 1 3 . 1 1 6 6 LYS H H 6 7.988 7.988 9.048 -1.060 18701 1749 1 3 . 1 1 7 7 VAL N N 7 122.213 122.213 119.315 2.898 18701 1750 1 3 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.185 -0.302 18701 1751 1 3 . 1 1 7 7 VAL C C 7 175.756 175.756 174.829 0.927 18701 1752 1 3 . 1 1 7 7 VAL CA C 7 62.334 62.334 61.302 1.032 18701 1753 1 3 . 1 1 7 7 VAL CB C 7 32.054 32.054 31.790 0.264 18701 1754 1 3 . 1 1 7 7 VAL H H 7 8.757 8.757 8.367 0.391 18701 1755 1 3 . 1 1 8 8 ASP N N 8 131.718 131.718 129.742 1.976 18701 1756 1 3 . 1 1 8 8 ASP HA H 8 4.673 4.673 4.928 -0.255 18701 1757 1 3 . 1 1 8 8 ASP C C 8 176.237 176.237 175.412 0.825 18701 1758 1 3 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.624 3.815 18701 1759 1 3 . 1 1 8 8 ASP CB C 8 44.590 44.590 42.922 1.668 18701 1760 1 3 . 1 1 8 8 ASP H H 8 8.820 8.820 8.400 0.420 18701 1761 1 3 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.290 0.094 18701 1762 1 3 . 1 1 9 9 PRO C C 9 177.535 177.535 178.046 -0.511 18701 1763 1 3 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.433 1.077 18701 1764 1 3 . 1 1 9 9 PRO CB C 9 32.054 32.054 31.972 0.082 18701 1765 1 3 . 1 1 10 10 SER N N 10 113.842 113.842 115.477 -1.635 18701 1766 1 3 . 1 1 10 10 SER HA H 10 4.265 4.265 4.258 0.007 18701 1767 1 3 . 1 1 10 10 SER C C 10 177.666 177.666 176.599 1.067 18701 1768 1 3 . 1 1 10 10 SER CA C 10 61.541 61.541 62.365 -0.824 18701 1769 1 3 . 1 1 10 10 SER CB C 10 62.660 62.660 62.971 -0.311 18701 1770 1 3 . 1 1 10 10 SER H H 10 8.811 8.811 9.053 -0.242 18701 1771 1 3 . 1 1 11 11 CYS N N 11 121.231 121.231 118.738 2.493 18701 1772 1 3 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.483 -0.337 18701 1773 1 3 . 1 1 11 11 CYS C C 11 176.211 176.211 176.253 -0.042 18701 1774 1 3 . 1 1 11 11 CYS CA C 11 62.986 62.986 60.155 2.831 18701 1775 1 3 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.595 -0.098 18701 1776 1 3 . 1 1 11 11 CYS H H 11 8.459 8.459 8.020 0.439 18701 1777 1 3 . 1 1 12 12 LYS N N 12 119.862 119.862 122.485 -2.623 18701 1778 1 3 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.067 -0.121 18701 1779 1 3 . 1 1 12 12 LYS C C 12 177.687 177.687 178.544 -0.857 18701 1780 1 3 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.857 0.384 18701 1781 1 3 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.918 0.543 18701 1782 1 3 . 1 1 12 12 LYS H H 12 7.615 7.615 7.627 -0.012 18701 1783 1 3 . 1 1 13 13 ASN N N 13 116.871 116.871 117.764 -0.893 18701 1784 1 3 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.502 -0.034 18701 1785 1 3 . 1 1 13 13 ASN C C 13 177.297 177.297 177.131 0.166 18701 1786 1 3 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.566 0.070 18701 1787 1 3 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.564 -0.079 18701 1788 1 3 . 1 1 13 13 ASN H H 13 7.489 7.489 8.650 -1.161 18701 1789 1 3 . 1 1 14 14 ALA N N 14 119.990 119.990 122.082 -2.092 18701 1790 1 3 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.208 0.033 18701 1791 1 3 . 1 1 14 14 ALA C C 14 179.077 179.077 179.089 -0.012 18701 1792 1 3 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.455 1.123 18701 1793 1 3 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.623 -0.162 18701 1794 1 3 . 1 1 14 14 ALA H H 14 8.054 8.054 7.396 0.658 18701 1795 1 3 . 1 1 15 15 TYR N N 15 118.280 118.280 120.157 -1.877 18701 1796 1 3 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.223 -0.172 18701 1797 1 3 . 1 1 15 15 TYR C C 15 177.123 177.123 177.346 -0.223 18701 1798 1 3 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.359 1.382 18701 1799 1 3 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.788 0.673 18701 1800 1 3 . 1 1 15 15 TYR H H 15 8.380 8.380 8.345 0.035 18701 1801 1 3 . 1 1 16 16 ASP N N 16 121.008 121.008 119.650 1.358 18701 1802 1 3 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.192 0.110 18701 1803 1 3 . 1 1 16 16 ASP C C 16 179.185 179.185 178.703 0.482 18701 1804 1 3 . 1 1 16 16 ASP CA C 16 58.102 58.102 58.161 -0.059 18701 1805 1 3 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.395 -0.038 18701 1806 1 3 . 1 1 16 16 ASP H H 16 8.722 8.722 8.707 0.015 18701 1807 1 3 . 1 1 17 17 LEU N N 17 119.368 119.368 118.314 1.054 18701 1808 1 3 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.018 -0.151 18701 1809 1 3 . 1 1 17 17 LEU C C 17 178.708 178.708 178.835 -0.127 18701 1810 1 3 . 1 1 17 17 LEU CA C 17 58.102 58.102 57.904 0.198 18701 1811 1 3 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.866 0.200 18701 1812 1 3 . 1 1 17 17 LEU H H 17 7.477 7.477 7.519 -0.042 18701 1813 1 3 . 1 1 18 18 LEU N N 18 121.503 121.503 116.221 5.282 18701 1814 1 3 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.334 -0.236 18701 1815 1 3 . 1 1 18 18 LEU C C 18 176.580 176.580 178.748 -2.168 18701 1816 1 3 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.099 2.803 18701 1817 1 3 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.054 2.571 18701 1818 1 3 . 1 1 18 18 LEU H H 18 7.762 7.762 7.394 0.368 18701 1819 1 3 . 1 1 19 19 HIS N N 19 116.605 116.605 118.874 -2.269 18701 1820 1 3 . 1 1 19 19 HIS HA H 19 3.741 3.741 3.892 -0.151 18701 1821 1 3 . 1 1 19 19 HIS C C 19 174.627 174.627 176.202 -1.575 18701 1822 1 3 . 1 1 19 19 HIS CA C 19 58.904 58.904 59.534 -0.630 18701 1823 1 3 . 1 1 19 19 HIS CB C 19 30.019 30.019 29.877 0.142 18701 1824 1 3 . 1 1 19 19 HIS H H 19 8.983 8.983 8.448 0.535 18701 1825 1 3 . 1 1 20 20 ASN N N 20 112.497 112.497 115.706 -3.209 18701 1826 1 3 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.715 -0.150 18701 1827 1 3 . 1 1 20 20 ASN C C 20 176.624 176.624 177.195 -0.571 18701 1828 1 3 . 1 1 20 20 ASN CA C 20 54.195 54.195 55.242 -1.048 18701 1829 1 3 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.465 -0.885 18701 1830 1 3 . 1 1 20 20 ASN H H 20 8.308 8.308 8.241 0.067 18701 1831 1 3 . 1 1 21 21 LYS N N 21 113.544 113.544 119.388 -5.844 18701 1832 1 3 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.161 0.247 18701 1833 1 3 . 1 1 21 21 LYS C C 21 175.669 175.669 177.111 -1.442 18701 1834 1 3 . 1 1 21 21 LYS CA C 21 55.291 55.291 57.239 -1.948 18701 1835 1 3 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.685 0.590 18701 1836 1 3 . 1 1 21 21 LYS H H 21 6.621 6.621 7.655 -1.034 18701 1837 1 3 . 1 1 22 22 HIS N N 22 115.701 115.701 115.204 0.497 18701 1838 1 3 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.416 0.303 18701 1839 1 3 . 1 1 22 22 HIS C C 22 174.670 174.670 174.891 -0.221 18701 1840 1 3 . 1 1 22 22 HIS CA C 22 56.332 56.332 57.179 -0.848 18701 1841 1 3 . 1 1 22 22 HIS CB C 22 25.721 25.721 27.205 -1.484 18701 1842 1 3 . 1 1 22 22 HIS H H 22 6.838 6.838 8.020 -1.182 18701 1843 1 3 . 1 1 23 23 GLN N N 23 114.330 114.330 116.448 -2.118 18701 1844 1 3 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.986 0.029 18701 1845 1 3 . 1 1 23 23 GLN C C 23 174.041 174.041 174.884 -0.843 18701 1846 1 3 . 1 1 23 23 GLN CA C 23 56.311 56.311 58.707 -2.396 18701 1847 1 3 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.611 1.074 18701 1848 1 3 . 1 1 23 23 GLN H H 23 8.028 8.028 7.860 0.168 18701 1849 1 3 . 1 1 24 24 HIS N N 24 111.043 111.043 113.739 -2.696 18701 1850 1 3 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.716 -0.570 18701 1851 1 3 . 1 1 24 24 HIS C C 24 175.083 175.083 174.681 0.402 18701 1852 1 3 . 1 1 24 24 HIS CA C 24 53.305 53.305 55.562 -2.257 18701 1853 1 3 . 1 1 24 24 HIS CB C 24 33.845 33.845 32.909 0.936 18701 1854 1 3 . 1 1 24 24 HIS H H 24 6.670 6.670 7.417 -0.747 18701 1855 1 3 . 1 1 25 25 SER N N 25 115.307 115.307 114.686 0.621 18701 1856 1 3 . 1 1 25 25 SER HA H 25 4.600 4.600 4.635 -0.035 18701 1857 1 3 . 1 1 25 25 SER C C 25 173.368 173.368 173.273 0.095 18701 1858 1 3 . 1 1 25 25 SER CA C 25 59.648 59.648 58.702 0.946 18701 1859 1 3 . 1 1 25 25 SER CB C 25 64.532 64.532 65.127 -0.595 18701 1860 1 3 . 1 1 25 25 SER H H 25 7.591 7.591 8.781 -1.190 18701 1861 1 3 . 1 1 26 26 TYR N N 26 111.318 111.318 115.531 -4.213 18701 1862 1 3 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.576 -0.222 18701 1863 1 3 . 1 1 26 26 TYR C C 26 173.411 173.411 173.145 0.266 18701 1864 1 3 . 1 1 26 26 TYR CA C 26 56.392 56.392 55.318 1.074 18701 1865 1 3 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.017 -0.009 18701 1866 1 3 . 1 1 26 26 TYR H H 26 6.635 6.635 7.481 -0.846 18701 1867 1 3 . 1 1 27 27 ILE N N 27 119.710 119.710 121.174 -1.464 18701 1868 1 3 . 1 1 27 27 ILE HA H 27 4.529 4.529 5.126 -0.597 18701 1869 1 3 . 1 1 27 27 ILE C C 27 174.323 174.323 173.664 0.659 18701 1870 1 3 . 1 1 27 27 ILE CA C 27 60.706 60.706 58.649 2.057 18701 1871 1 3 . 1 1 27 27 ILE CB C 27 44.020 44.020 42.076 1.944 18701 1872 1 3 . 1 1 27 27 ILE H H 27 9.191 9.191 9.103 0.088 18701 1873 1 3 . 1 1 28 28 ILE N N 28 125.249 125.249 126.533 -1.284 18701 1874 1 3 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.764 0.040 18701 1875 1 3 . 1 1 28 28 ILE C C 28 174.757 174.757 174.859 -0.102 18701 1876 1 3 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.082 0.869 18701 1877 1 3 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.780 0.333 18701 1878 1 3 . 1 1 28 28 ILE H H 28 9.049 9.049 8.955 0.094 18701 1879 1 3 . 1 1 29 29 PHE N N 29 126.153 126.153 125.673 0.480 18701 1880 1 3 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.408 0.317 18701 1881 1 3 . 1 1 29 29 PHE C C 29 174.193 174.193 174.553 -0.360 18701 1882 1 3 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.631 -0.808 18701 1883 1 3 . 1 1 29 29 PHE CB C 29 42.880 42.880 43.292 -0.412 18701 1884 1 3 . 1 1 29 29 PHE H H 29 9.514 9.514 9.156 0.358 18701 1885 1 3 . 1 1 30 30 LYS N N 30 116.531 116.531 120.495 -3.964 18701 1886 1 3 . 1 1 30 30 LYS HA H 30 5.151 5.151 5.123 0.028 18701 1887 1 3 . 1 1 30 30 LYS C C 30 173.411 173.411 174.519 -1.108 18701 1888 1 3 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.780 -0.504 18701 1889 1 3 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.658 0.524 18701 1890 1 3 . 1 1 30 30 LYS H H 30 8.950 8.950 9.034 -0.084 18701 1891 1 3 . 1 1 31 31 ILE N N 31 120.757 120.757 123.813 -3.056 18701 1892 1 3 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.561 0.123 18701 1893 1 3 . 1 1 31 31 ILE C C 31 174.714 174.714 174.574 0.140 18701 1894 1 3 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.365 0.480 18701 1895 1 3 . 1 1 31 31 ILE CB C 31 37.508 37.508 38.611 -1.103 18701 1896 1 3 . 1 1 31 31 ILE H H 31 8.256 8.256 9.040 -0.784 18701 1897 1 3 . 1 1 32 32 ASP N N 32 130.811 130.811 129.393 1.418 18701 1898 1 3 . 1 1 32 32 ASP HA H 32 4.445 4.445 5.034 -0.589 18701 1899 1 3 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.408 0.255 18701 1900 1 3 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.871 -6.382 18701 1901 1 3 . 1 1 32 32 ASP H H 32 9.441 9.441 9.182 0.259 18701 1902 1 3 . 1 1 33 33 LYS HA H 33 4.314 4.314 3.957 0.357 18701 1903 1 3 . 1 1 33 33 LYS C C 33 174.759 174.759 176.503 -1.744 18701 1904 1 3 . 1 1 33 33 LYS CA C 33 56.230 56.230 57.439 -1.209 18701 1905 1 3 . 1 1 33 33 LYS CB C 33 29.205 29.205 31.435 -2.230 18701 1906 1 3 . 1 1 34 34 ASN N N 34 117.759 117.759 119.934 -2.175 18701 1907 1 3 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.503 0.181 18701 1908 1 3 . 1 1 34 34 ASN C C 34 174.736 174.736 175.662 -0.926 18701 1909 1 3 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.161 -1.010 18701 1910 1 3 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.328 1.296 18701 1911 1 3 . 1 1 34 34 ASN H H 34 8.573 8.573 8.819 -0.246 18701 1912 1 3 . 1 1 35 35 ASP N N 35 115.713 115.713 114.725 0.988 18701 1913 1 3 . 1 1 35 35 ASP C C 35 175.586 175.586 175.634 -0.048 18701 1914 1 3 . 1 1 35 35 ASP CA C 35 54.043 54.043 53.758 0.285 18701 1915 1 3 . 1 1 35 35 ASP CB C 35 42.091 42.091 39.965 2.126 18701 1916 1 3 . 1 1 35 35 ASP H H 35 8.134 8.134 8.144 -0.010 18701 1917 1 3 . 1 1 36 36 THR HA H 36 4.565 4.565 3.999 0.566 18701 1918 1 3 . 1 1 36 36 THR C C 36 175.517 175.517 172.963 2.554 18701 1919 1 3 . 1 1 36 36 THR CA C 36 62.579 62.579 63.386 -0.807 18701 1920 1 3 . 1 1 36 36 THR CB C 36 71.858 71.858 66.701 5.157 18701 1921 1 3 . 1 1 37 37 ALA N N 37 124.761 124.761 126.740 -1.979 18701 1922 1 3 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.419 0.079 18701 1923 1 3 . 1 1 37 37 ALA C C 37 175.300 175.300 175.825 -0.525 18701 1924 1 3 . 1 1 37 37 ALA CA C 37 51.481 51.481 49.891 1.590 18701 1925 1 3 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.846 -0.235 18701 1926 1 3 . 1 1 37 37 ALA H H 37 8.054 8.054 8.765 -0.712 18701 1927 1 3 . 1 1 38 38 ILE N N 38 121.171 121.171 122.900 -1.729 18701 1928 1 3 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.446 0.221 18701 1929 1 3 . 1 1 38 38 ILE C C 38 174.301 174.301 174.896 -0.595 18701 1930 1 3 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.067 -0.628 18701 1931 1 3 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.009 1.208 18701 1932 1 3 . 1 1 38 38 ILE H H 38 8.623 8.623 8.694 -0.071 18701 1933 1 3 . 1 1 39 39 VAL N N 39 118.121 118.121 126.077 -7.956 18701 1934 1 3 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.517 0.156 18701 1935 1 3 . 1 1 39 39 VAL C C 39 174.974 174.974 174.181 0.793 18701 1936 1 3 . 1 1 39 39 VAL CA C 39 59.078 59.078 59.078 0.000 18701 1937 1 3 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.668 -1.195 18701 1938 1 3 . 1 1 39 39 VAL H H 39 9.083 9.083 8.749 0.334 18701 1939 1 3 . 1 1 40 40 VAL N N 40 121.315 121.315 123.744 -2.429 18701 1940 1 3 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.191 -0.403 18701 1941 1 3 . 1 1 40 40 VAL C C 40 175.300 175.300 175.522 -0.222 18701 1942 1 3 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.372 0.428 18701 1943 1 3 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.745 0.879 18701 1944 1 3 . 1 1 40 40 VAL H H 40 8.345 8.345 8.470 -0.125 18701 1945 1 3 . 1 1 41 41 GLU N N 41 130.920 130.920 127.685 3.235 18701 1946 1 3 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.386 0.023 18701 1947 1 3 . 1 1 41 41 GLU C C 41 175.647 175.647 176.081 -0.434 18701 1948 1 3 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.661 -0.455 18701 1949 1 3 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.489 2.028 18701 1950 1 3 . 1 1 41 41 GLU H H 41 9.388 9.388 8.978 0.410 18701 1951 1 3 . 1 1 42 42 LYS N N 42 115.836 115.836 118.863 -3.027 18701 1952 1 3 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.483 0.171 18701 1953 1 3 . 1 1 42 42 LYS C C 42 173.715 173.715 174.058 -0.343 18701 1954 1 3 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.678 -1.158 18701 1955 1 3 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.780 1.077 18701 1956 1 3 . 1 1 42 42 LYS H H 42 7.523 7.523 7.529 -0.006 18701 1957 1 3 . 1 1 43 43 VAL N N 43 118.472 118.472 122.451 -3.979 18701 1958 1 3 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.871 -0.426 18701 1959 1 3 . 1 1 43 43 VAL C C 43 174.931 174.931 175.318 -0.387 18701 1960 1 3 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.620 0.028 18701 1961 1 3 . 1 1 43 43 VAL CB C 43 34.170 34.170 33.649 0.521 18701 1962 1 3 . 1 1 43 43 VAL H H 43 8.315 8.315 8.294 0.021 18701 1963 1 3 . 1 1 44 44 GLY N N 44 112.479 112.479 112.814 -0.335 18701 1964 1 3 . 1 1 44 44 GLY C C 44 174.149 174.149 173.055 1.094 18701 1965 1 3 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.197 0.187 18701 1966 1 3 . 1 1 44 44 GLY H H 44 7.953 7.953 8.652 -0.699 18701 1967 1 3 . 1 1 45 45 GLU N N 45 122.999 122.999 122.868 0.131 18701 1968 1 3 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.474 -0.055 18701 1969 1 3 . 1 1 45 45 GLU C C 45 175.365 175.365 177.947 -2.582 18701 1970 1 3 . 1 1 45 45 GLU CA C 45 56.392 56.392 54.915 1.477 18701 1971 1 3 . 1 1 45 45 GLU CB C 45 30.670 30.670 30.265 0.405 18701 1972 1 3 . 1 1 45 45 GLU H H 45 8.949 8.949 8.469 0.480 18701 1973 1 3 . 1 1 48 48 ALA N N 48 124.687 124.687 123.982 0.705 18701 1974 1 3 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.717 -0.296 18701 1975 1 3 . 1 1 48 48 ALA C C 48 176.210 176.210 175.256 0.954 18701 1976 1 3 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.817 1.691 18701 1977 1 3 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.097 -1.450 18701 1978 1 3 . 1 1 48 48 ALA H H 48 7.627 7.627 7.415 0.212 18701 1979 1 3 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.572 0.077 18701 1980 1 3 . 1 1 49 49 PRO C C 49 177.535 177.535 177.097 0.438 18701 1981 1 3 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.333 0.164 18701 1982 1 3 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.542 -0.406 18701 1983 1 3 . 1 1 50 50 TYR N N 50 127.091 127.091 120.788 6.303 18701 1984 1 3 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.089 -0.028 18701 1985 1 3 . 1 1 50 50 TYR C C 50 177.427 177.427 177.043 0.384 18701 1986 1 3 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.495 2.165 18701 1987 1 3 . 1 1 50 50 TYR CB C 50 38.240 38.240 36.911 1.329 18701 1988 1 3 . 1 1 50 50 TYR H H 50 9.065 9.065 8.591 0.474 18701 1989 1 3 . 1 1 51 51 ALA N N 51 117.547 117.547 122.073 -4.526 18701 1990 1 3 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.760 0.315 18701 1991 1 3 . 1 1 51 51 ALA C C 51 179.836 179.836 179.293 0.543 18701 1992 1 3 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.870 0.139 18701 1993 1 3 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.703 1.327 18701 1994 1 3 . 1 1 51 51 ALA H H 51 8.910 8.910 7.926 0.984 18701 1995 1 3 . 1 1 52 52 GLU N N 52 117.688 117.688 119.394 -1.706 18701 1996 1 3 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.037 -0.011 18701 1997 1 3 . 1 1 52 52 GLU C C 52 177.970 177.970 178.256 -0.286 18701 1998 1 3 . 1 1 52 52 GLU CA C 52 59.241 59.241 58.758 0.483 18701 1999 1 3 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.722 0.053 18701 2000 1 3 . 1 1 52 52 GLU H H 52 7.708 7.708 7.684 0.024 18701 2001 1 3 . 1 1 53 53 PHE N N 53 120.303 120.303 120.778 -0.475 18701 2002 1 3 . 1 1 53 53 PHE HA H 53 2.974 2.974 3.784 -0.810 18701 2003 1 3 . 1 1 53 53 PHE C C 53 175.582 175.582 176.978 -1.396 18701 2004 1 3 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.822 -0.930 18701 2005 1 3 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.372 -1.678 18701 2006 1 3 . 1 1 53 53 PHE H H 53 6.778 6.778 7.412 -0.634 18701 2007 1 3 . 1 1 54 54 VAL N N 54 117.631 117.631 118.659 -1.028 18701 2008 1 3 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.222 -0.871 18701 2009 1 3 . 1 1 54 54 VAL C C 54 177.101 177.101 178.203 -1.102 18701 2010 1 3 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.317 0.576 18701 2011 1 3 . 1 1 54 54 VAL CB C 54 31.484 31.484 30.731 0.753 18701 2012 1 3 . 1 1 54 54 VAL H H 54 7.104 7.104 7.910 -0.806 18701 2013 1 3 . 1 1 55 55 GLU N N 55 118.253 118.253 119.383 -1.130 18701 2014 1 3 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.868 -0.128 18701 2015 1 3 . 1 1 55 55 GLU C C 55 178.859 178.859 179.303 -0.444 18701 2016 1 3 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.651 -0.735 18701 2017 1 3 . 1 1 55 55 GLU CB C 55 29.287 29.287 28.964 0.323 18701 2018 1 3 . 1 1 55 55 GLU H H 55 7.592 7.592 7.917 -0.325 18701 2019 1 3 . 1 1 56 56 GLU N N 56 118.908 118.908 118.705 0.203 18701 2020 1 3 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.017 -0.170 18701 2021 1 3 . 1 1 56 56 GLU C C 56 179.272 179.272 179.024 0.248 18701 2022 1 3 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.773 0.062 18701 2023 1 3 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.352 -0.717 18701 2024 1 3 . 1 1 56 56 GLU H H 56 8.002 8.002 8.016 -0.014 18701 2025 1 3 . 1 1 57 57 MET N N 57 117.937 117.937 118.491 -0.554 18701 2026 1 3 . 1 1 57 57 MET HA H 57 3.799 3.799 4.172 -0.373 18701 2027 1 3 . 1 1 57 57 MET C C 57 177.514 177.514 177.557 -0.043 18701 2028 1 3 . 1 1 57 57 MET CA C 57 57.044 57.044 57.902 -0.858 18701 2029 1 3 . 1 1 57 57 MET CB C 57 30.263 30.263 32.715 -2.452 18701 2030 1 3 . 1 1 57 57 MET H H 57 7.838 7.838 7.334 0.504 18701 2031 1 3 . 1 1 58 58 LYS N N 58 119.343 119.343 120.937 -1.594 18701 2032 1 3 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.782 -0.163 18701 2033 1 3 . 1 1 58 58 LYS C C 58 178.339 178.339 178.460 -0.121 18701 2034 1 3 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.787 0.431 18701 2035 1 3 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.081 0.705 18701 2036 1 3 . 1 1 58 58 LYS H H 58 8.341 8.341 8.387 -0.046 18701 2037 1 3 . 1 1 59 59 LYS N N 59 114.611 114.611 116.548 -1.937 18701 2038 1 3 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.123 -0.229 18701 2039 1 3 . 1 1 59 59 LYS C C 59 178.404 178.404 178.463 -0.059 18701 2040 1 3 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.713 0.203 18701 2041 1 3 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.709 1.078 18701 2042 1 3 . 1 1 59 59 LYS H H 59 7.126 7.126 7.815 -0.689 18701 2043 1 3 . 1 1 60 60 LEU N N 60 117.334 117.334 118.916 -1.582 18701 2044 1 3 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.244 -0.110 18701 2045 1 3 . 1 1 60 60 LEU C C 60 179.619 179.619 178.870 0.749 18701 2046 1 3 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.828 -0.110 18701 2047 1 3 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.358 0.766 18701 2048 1 3 . 1 1 60 60 LEU H H 60 7.343 7.343 7.188 0.155 18701 2049 1 3 . 1 1 61 61 VAL N N 61 108.515 108.515 120.137 -11.622 18701 2050 1 3 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.650 0.794 18701 2051 1 3 . 1 1 61 61 VAL C C 61 177.753 177.753 177.295 0.458 18701 2052 1 3 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.011 -3.898 18701 2053 1 3 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.713 0.260 18701 2054 1 3 . 1 1 61 61 VAL H H 61 7.730 7.730 8.543 -0.813 18701 2055 1 3 . 1 1 62 62 GLU N N 62 123.907 123.907 118.547 5.360 18701 2056 1 3 . 1 1 62 62 GLU HA H 62 4.026 4.026 3.999 0.027 18701 2057 1 3 . 1 1 62 62 GLU C C 62 176.602 176.602 177.290 -0.688 18701 2058 1 3 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.502 0.739 18701 2059 1 3 . 1 1 62 62 GLU CB C 62 29.205 29.205 29.197 0.008 18701 2060 1 3 . 1 1 62 62 GLU H H 62 7.583 7.583 7.767 -0.184 18701 2061 1 3 . 1 1 63 63 ASP N N 63 118.203 118.203 118.123 0.080 18701 2062 1 3 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.397 -0.023 18701 2063 1 3 . 1 1 63 63 ASP C C 63 177.557 177.557 177.367 0.190 18701 2064 1 3 . 1 1 63 63 ASP CA C 63 54.927 54.927 55.100 -0.173 18701 2065 1 3 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.363 -1.332 18701 2066 1 3 . 1 1 63 63 ASP H H 63 8.584 8.584 7.675 0.909 18701 2067 1 3 . 1 1 64 64 GLY N N 64 107.534 107.534 107.551 -0.017 18701 2068 1 3 . 1 1 64 64 GLY C C 64 173.281 173.281 175.151 -1.870 18701 2069 1 3 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.296 1.021 18701 2070 1 3 . 1 1 64 64 GLY H H 64 8.036 8.036 8.197 -0.161 18701 2071 1 3 . 1 1 65 65 LYS N N 65 115.632 115.632 122.599 -6.967 18701 2072 1 3 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.433 -0.227 18701 2073 1 3 . 1 1 65 65 LYS C C 65 176.233 176.233 175.031 1.202 18701 2074 1 3 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.511 0.962 18701 2075 1 3 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.828 2.223 18701 2076 1 3 . 1 1 65 65 LYS H H 65 8.197 8.197 7.934 0.263 18701 2077 1 3 . 1 1 66 66 GLU N N 66 118.786 118.786 119.158 -0.372 18701 2078 1 3 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.546 -0.292 18701 2079 1 3 . 1 1 66 66 GLU C C 66 174.063 174.063 174.954 -0.891 18701 2080 1 3 . 1 1 66 66 GLU CA C 66 55.823 55.823 54.849 0.974 18701 2081 1 3 . 1 1 66 66 GLU CB C 66 33.031 33.031 33.111 -0.080 18701 2082 1 3 . 1 1 66 66 GLU H H 66 7.775 7.775 7.691 0.084 18701 2083 1 3 . 1 1 67 67 CYS N N 67 114.372 114.372 119.408 -5.036 18701 2084 1 3 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.722 -0.516 18701 2085 1 3 . 1 1 67 67 CYS C C 67 175.517 175.517 172.990 2.527 18701 2086 1 3 . 1 1 67 67 CYS CA C 67 56.431 56.431 58.646 -2.215 18701 2087 1 3 . 1 1 67 67 CYS CB C 67 29.465 29.465 29.704 -0.239 18701 2088 1 3 . 1 1 67 67 CYS H H 67 7.586 7.586 8.436 -0.850 18701 2089 1 3 . 1 1 68 68 ARG N N 68 117.544 117.544 125.425 -7.881 18701 2090 1 3 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.769 -0.363 18701 2091 1 3 . 1 1 68 68 ARG C C 68 176.624 176.624 175.149 1.475 18701 2092 1 3 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.607 0.727 18701 2093 1 3 . 1 1 68 68 ARG CB C 68 32.376 32.376 34.460 -2.084 18701 2094 1 3 . 1 1 68 68 ARG H H 68 7.682 7.682 8.332 -0.650 18701 2095 1 3 . 1 1 69 69 TYR N N 69 115.996 115.996 123.106 -7.110 18701 2096 1 3 . 1 1 69 69 TYR HA H 69 5.819 5.819 4.866 0.953 18701 2097 1 3 . 1 1 69 69 TYR C C 69 175.300 175.300 175.230 0.070 18701 2098 1 3 . 1 1 69 69 TYR CA C 69 54.379 54.379 58.069 -3.690 18701 2099 1 3 . 1 1 69 69 TYR CB C 69 41.998 41.998 40.142 1.856 18701 2100 1 3 . 1 1 69 69 TYR H H 69 8.139 8.139 8.694 -0.555 18701 2101 1 3 . 1 1 70 70 ALA N N 70 121.451 121.451 124.019 -2.568 18701 2102 1 3 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.182 0.554 18701 2103 1 3 . 1 1 70 70 ALA C C 70 174.367 174.367 174.895 -0.528 18701 2104 1 3 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.781 1.677 18701 2105 1 3 . 1 1 70 70 ALA CB C 70 24.158 24.158 22.980 1.178 18701 2106 1 3 . 1 1 70 70 ALA H H 70 9.334 9.334 8.075 1.259 18701 2107 1 3 . 1 1 71 71 ALA N N 71 121.815 121.815 126.093 -4.278 18701 2108 1 3 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.687 0.181 18701 2109 1 3 . 1 1 71 71 ALA C C 71 175.495 175.495 174.944 0.551 18701 2110 1 3 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.784 0.307 18701 2111 1 3 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.985 -1.431 18701 2112 1 3 . 1 1 71 71 ALA H H 71 9.059 9.059 8.912 0.147 18701 2113 1 3 . 1 1 72 72 VAL N N 72 120.963 120.963 122.670 -1.707 18701 2114 1 3 . 1 1 72 72 VAL HA H 72 4.505 4.505 4.965 -0.460 18701 2115 1 3 . 1 1 72 72 VAL C C 72 173.194 173.194 173.517 -0.323 18701 2116 1 3 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.014 1.262 18701 2117 1 3 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.378 -0.312 18701 2118 1 3 . 1 1 72 72 VAL H H 72 8.665 8.665 9.077 -0.412 18701 2119 1 3 . 1 1 73 73 ASP N N 73 128.360 128.360 129.515 -1.155 18701 2120 1 3 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.138 -0.167 18701 2121 1 3 . 1 1 73 73 ASP C C 73 175.256 175.256 173.991 1.265 18701 2122 1 3 . 1 1 73 73 ASP CA C 73 53.891 53.891 53.932 -0.041 18701 2123 1 3 . 1 1 73 73 ASP CB C 73 41.659 41.659 41.859 -0.200 18701 2124 1 3 . 1 1 73 73 ASP H H 73 8.896 8.896 8.999 -0.103 18701 2125 1 3 . 1 1 74 74 VAL N N 74 127.568 127.568 125.406 2.162 18701 2126 1 3 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.483 -0.289 18701 2127 1 3 . 1 1 74 74 VAL C C 74 173.846 173.846 173.777 0.069 18701 2128 1 3 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.061 2.785 18701 2129 1 3 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.689 -2.007 18701 2130 1 3 . 1 1 74 74 VAL H H 74 9.232 9.232 8.660 0.572 18701 2131 1 3 . 1 1 75 75 GLU N N 75 126.833 126.833 128.532 -1.699 18701 2132 1 3 . 1 1 75 75 GLU HA H 75 4.839 4.839 5.281 -0.442 18701 2133 1 3 . 1 1 75 75 GLU C C 75 175.799 175.799 174.997 0.802 18701 2134 1 3 . 1 1 75 75 GLU CA C 75 55.578 55.578 53.884 1.694 18701 2135 1 3 . 1 1 75 75 GLU CB C 75 31.647 31.647 30.984 0.663 18701 2136 1 3 . 1 1 75 75 GLU H H 75 8.560 8.560 8.528 0.032 18701 2137 1 3 . 1 1 76 76 VAL N N 76 123.421 123.421 124.782 -1.361 18701 2138 1 3 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.350 0.082 18701 2139 1 3 . 1 1 76 76 VAL C C 76 174.562 174.562 175.133 -0.571 18701 2140 1 3 . 1 1 76 76 VAL CA C 76 60.462 60.462 60.696 -0.234 18701 2141 1 3 . 1 1 76 76 VAL CB C 76 34.822 34.822 33.768 1.054 18701 2142 1 3 . 1 1 76 76 VAL H H 76 9.032 9.032 8.870 0.162 18701 2143 1 3 . 1 1 77 77 THR N N 77 120.606 120.606 122.083 -1.477 18701 2144 1 3 . 1 1 77 77 THR HA H 77 4.876 4.876 4.626 0.250 18701 2145 1 3 . 1 1 77 77 THR C C 77 173.998 173.998 173.969 0.029 18701 2146 1 3 . 1 1 77 77 THR CA C 77 62.172 62.172 61.568 0.604 18701 2147 1 3 . 1 1 77 77 THR CB C 77 70.067 70.067 68.605 1.462 18701 2148 1 3 . 1 1 77 77 THR H H 77 8.402 8.402 8.464 -0.062 18701 2149 1 3 . 1 1 78 78 VAL N N 78 122.942 122.942 124.776 -1.834 18701 2150 1 3 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.667 -0.283 18701 2151 1 3 . 1 1 78 78 VAL C C 78 174.605 174.605 173.465 1.140 18701 2152 1 3 . 1 1 78 78 VAL CA C 78 60.218 60.218 59.392 0.826 18701 2153 1 3 . 1 1 78 78 VAL CB C 78 34.740 34.740 35.296 -0.556 18701 2154 1 3 . 1 1 78 78 VAL H H 78 8.781 8.781 8.745 0.036 18701 2155 1 3 . 1 1 79 79 GLN N N 79 123.562 123.562 120.870 2.692 18701 2156 1 3 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.574 -0.194 18701 2157 1 3 . 1 1 79 79 GLN C C 79 175.647 175.647 174.653 0.994 18701 2158 1 3 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.041 0.537 18701 2159 1 3 . 1 1 79 79 GLN CB C 79 29.531 29.531 29.929 -0.398 18701 2160 1 3 . 1 1 79 79 GLN H H 79 8.527 8.527 8.443 0.084 18701 2161 1 3 . 1 1 80 80 ARG N N 80 125.030 125.030 124.127 0.903 18701 2162 1 3 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.685 -0.408 18701 2163 1 3 . 1 1 80 80 ARG C C 80 175.864 175.864 175.072 0.792 18701 2164 1 3 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.304 2.600 18701 2165 1 3 . 1 1 80 80 ARG CB C 80 31.322 31.322 31.717 -0.395 18701 2166 1 3 . 1 1 80 80 ARG H H 80 8.516 8.516 8.590 -0.074 18701 2167 1 3 . 1 1 81 81 GLN N N 81 122.473 122.473 120.650 1.823 18701 2168 1 3 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.153 0.052 18701 2169 1 3 . 1 1 81 81 GLN C C 81 176.776 176.776 176.384 0.392 18701 2170 1 3 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.586 -0.961 18701 2171 1 3 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.422 0.457 18701 2172 1 3 . 1 1 81 81 GLN H H 81 8.609 8.609 8.603 0.006 18701 2173 1 3 . 1 1 82 82 GLY N N 82 112.685 112.685 109.633 3.052 18701 2174 1 3 . 1 1 82 82 GLY C C 82 173.498 173.498 173.050 0.448 18701 2175 1 3 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.582 1.147 18701 2176 1 3 . 1 1 82 82 GLY H H 82 8.766 8.766 8.678 0.088 18701 2177 1 3 . 1 1 83 83 ALA N N 83 123.093 123.093 124.603 -1.510 18701 2178 1 3 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.748 -0.339 18701 2179 1 3 . 1 1 83 83 ALA C C 83 176.971 176.971 175.870 1.101 18701 2180 1 3 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.983 0.181 18701 2181 1 3 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.907 -0.656 18701 2182 1 3 . 1 1 83 83 ALA H H 83 7.965 7.965 7.463 0.502 18701 2183 1 3 . 1 1 84 84 GLU N N 84 118.929 118.929 121.356 -2.427 18701 2184 1 3 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.153 0.101 18701 2185 1 3 . 1 1 84 84 GLU C C 84 176.928 176.928 176.246 0.682 18701 2186 1 3 . 1 1 84 84 GLU CA C 84 57.044 57.044 57.422 -0.378 18701 2187 1 3 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.688 0.738 18701 2188 1 3 . 1 1 84 84 GLU H H 84 8.390 8.390 8.724 -0.334 18701 2189 1 3 . 1 1 85 85 GLY N N 85 109.042 109.042 110.569 -1.527 18701 2190 1 3 . 1 1 85 85 GLY C C 85 173.607 173.607 173.847 -0.240 18701 2191 1 3 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.323 -0.326 18701 2192 1 3 . 1 1 85 85 GLY H H 85 8.220 8.220 8.215 0.005 18701 2193 1 3 . 1 1 86 86 THR N N 86 112.014 112.014 113.625 -1.611 18701 2194 1 3 . 1 1 86 86 THR HA H 86 4.792 4.792 4.666 0.126 18701 2195 1 3 . 1 1 86 86 THR C C 86 174.280 174.280 173.664 0.616 18701 2196 1 3 . 1 1 86 86 THR CA C 86 61.113 61.113 60.460 0.653 18701 2197 1 3 . 1 1 86 86 THR CB C 86 71.532 71.532 70.133 1.399 18701 2198 1 3 . 1 1 86 86 THR H H 86 8.172 8.172 7.656 0.516 18701 2199 1 3 . 1 1 87 87 SER N N 87 117.161 117.161 121.007 -3.846 18701 2200 1 3 . 1 1 87 87 SER HA H 87 4.744 4.744 4.539 0.205 18701 2201 1 3 . 1 1 87 87 SER C C 87 172.956 172.956 173.437 -0.481 18701 2202 1 3 . 1 1 87 87 SER CA C 87 57.532 57.532 57.402 0.130 18701 2203 1 3 . 1 1 87 87 SER CB C 87 65.428 65.428 63.523 1.905 18701 2204 1 3 . 1 1 87 87 SER H H 87 8.782 8.782 9.216 -0.434 18701 2205 1 3 . 1 1 88 88 THR N N 88 116.763 116.763 125.016 -8.253 18701 2206 1 3 . 1 1 88 88 THR HA H 88 5.151 5.151 5.243 -0.092 18701 2207 1 3 . 1 1 88 88 THR C C 88 173.650 173.650 173.775 -0.125 18701 2208 1 3 . 1 1 88 88 THR CA C 88 61.439 61.439 61.408 0.031 18701 2209 1 3 . 1 1 88 88 THR CB C 88 71.125 71.125 70.171 0.954 18701 2210 1 3 . 1 1 88 88 THR H H 88 8.404 8.404 8.174 0.230 18701 2211 1 3 . 1 1 89 89 LEU N N 89 126.308 126.308 128.819 -2.511 18701 2212 1 3 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.697 -0.085 18701 2213 1 3 . 1 1 89 89 LEU C C 89 174.171 174.171 174.852 -0.681 18701 2214 1 3 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.572 0.612 18701 2215 1 3 . 1 1 89 89 LEU CB C 89 45.078 45.078 45.126 -0.048 18701 2216 1 3 . 1 1 89 89 LEU H H 89 9.039 9.039 8.283 0.756 18701 2217 1 3 . 1 1 90 90 ASN N N 90 120.749 120.749 119.420 1.329 18701 2218 1 3 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.382 0.259 18701 2219 1 3 . 1 1 90 90 ASN C C 90 174.757 174.757 174.588 0.169 18701 2220 1 3 . 1 1 90 90 ASN CA C 90 53.381 53.381 51.366 2.015 18701 2221 1 3 . 1 1 90 90 ASN CB C 90 40.764 40.764 40.496 0.268 18701 2222 1 3 . 1 1 90 90 ASN H H 90 8.347 8.347 8.553 -0.206 18701 2223 1 3 . 1 1 91 91 LYS N N 91 123.843 123.843 122.754 1.089 18701 2224 1 3 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.854 -0.158 18701 2225 1 3 . 1 1 91 91 LYS C C 91 173.629 173.629 175.087 -1.458 18701 2226 1 3 . 1 1 91 91 LYS CA C 91 54.314 54.314 53.790 0.524 18701 2227 1 3 . 1 1 91 91 LYS CB C 91 36.531 36.531 35.966 0.565 18701 2228 1 3 . 1 1 91 91 LYS H H 91 9.087 9.087 8.875 0.212 18701 2229 1 3 . 1 1 92 92 VAL N N 92 123.150 123.150 126.635 -3.485 18701 2230 1 3 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.441 0.662 18701 2231 1 3 . 1 1 92 92 VAL C C 92 175.517 175.517 175.091 0.426 18701 2232 1 3 . 1 1 92 92 VAL CA C 92 61.683 61.683 62.245 -0.562 18701 2233 1 3 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.214 -0.241 18701 2234 1 3 . 1 1 92 92 VAL H H 92 8.479 8.479 8.883 -0.404 18701 2235 1 3 . 1 1 93 93 ILE N N 93 120.433 120.433 129.693 -9.260 18701 2236 1 3 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.939 0.415 18701 2237 1 3 . 1 1 93 93 ILE C C 93 174.215 174.215 173.759 0.456 18701 2238 1 3 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.411 -0.149 18701 2239 1 3 . 1 1 93 93 ILE CB C 93 41.008 41.008 40.716 0.292 18701 2240 1 3 . 1 1 93 93 ILE H H 93 9.155 9.155 8.987 0.168 18701 2241 1 3 . 1 1 94 94 PHE N N 94 122.349 122.349 129.482 -7.133 18701 2242 1 3 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.314 0.267 18701 2243 1 3 . 1 1 94 94 PHE C C 94 173.042 173.042 173.516 -0.474 18701 2244 1 3 . 1 1 94 94 PHE CA C 94 56.397 56.397 56.224 0.173 18701 2245 1 3 . 1 1 94 94 PHE CB C 94 42.392 42.392 41.660 0.732 18701 2246 1 3 . 1 1 94 94 PHE H H 94 9.002 9.002 9.457 -0.455 18701 2247 1 3 . 1 1 95 95 VAL N N 95 126.937 126.937 128.552 -1.615 18701 2248 1 3 . 1 1 95 95 VAL HA H 95 4.706 4.706 5.025 -0.319 18701 2249 1 3 . 1 1 95 95 VAL C C 95 174.128 174.128 174.861 -0.733 18701 2250 1 3 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.517 -0.009 18701 2251 1 3 . 1 1 95 95 VAL CB C 95 35.554 35.554 32.492 3.062 18701 2252 1 3 . 1 1 95 95 VAL H H 95 8.978 8.978 8.775 0.203 18701 2253 1 3 . 1 1 96 96 GLN N N 96 124.946 124.946 126.329 -1.383 18701 2254 1 3 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.488 0.244 18701 2255 1 3 . 1 1 96 96 GLN C C 96 172.912 172.912 174.698 -1.786 18701 2256 1 3 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.852 0.569 18701 2257 1 3 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.310 2.093 18701 2258 1 3 . 1 1 96 96 GLN H H 96 8.516 8.516 8.755 -0.239 18701 2259 1 3 . 1 1 97 97 TYR N N 97 129.236 129.236 129.865 -0.629 18701 2260 1 3 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.039 -0.020 18701 2261 1 3 . 1 1 97 97 TYR C C 97 174.844 174.844 174.321 0.523 18701 2262 1 3 . 1 1 97 97 TYR CA C 97 57.244 57.244 57.873 -0.629 18701 2263 1 3 . 1 1 97 97 TYR CB C 97 41.252 41.252 39.412 1.840 18701 2264 1 3 . 1 1 97 97 TYR H H 97 9.030 9.030 8.561 0.469 18701 2265 1 3 . 1 1 98 98 CYS N N 98 127.084 127.084 124.876 2.208 18701 2266 1 3 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.827 -0.095 18701 2267 1 3 . 1 1 98 98 CYS CA C 98 54.602 54.602 54.286 0.316 18701 2268 1 3 . 1 1 98 98 CYS CB C 98 29.042 29.042 28.165 0.878 18701 2269 1 3 . 1 1 98 98 CYS H H 98 8.227 8.227 9.032 -0.805 18701 2270 1 3 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.235 0.508 18701 2271 1 3 . 1 1 99 99 PRO C C 99 177.492 177.492 177.214 0.278 18701 2272 1 3 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.650 -0.071 18701 2273 1 3 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.533 -0.072 18701 2274 1 3 . 1 1 100 100 ASP N N 100 120.420 120.420 120.395 0.025 18701 2275 1 3 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.365 -0.147 18701 2276 1 3 . 1 1 100 100 ASP C C 100 176.993 176.993 177.034 -0.041 18701 2277 1 3 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.742 0.627 18701 2278 1 3 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.662 0.020 18701 2279 1 3 . 1 1 100 100 ASP H H 100 8.584 8.584 8.617 -0.033 18701 2280 1 3 . 1 1 101 101 ASN N N 101 112.580 112.580 116.296 -3.716 18701 2281 1 3 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.640 0.151 18701 2282 1 3 . 1 1 101 101 ASN C C 101 175.256 175.256 174.432 0.824 18701 2283 1 3 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.707 0.077 18701 2284 1 3 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.589 -0.511 18701 2285 1 3 . 1 1 101 101 ASN H H 101 8.055 8.055 7.901 0.154 18701 2286 1 3 . 1 1 102 102 ALA N N 102 123.140 123.140 124.919 -1.779 18701 2287 1 3 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.361 0.180 18701 2288 1 3 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.449 1.098 18701 2289 1 3 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.390 -0.988 18701 2290 1 3 . 1 1 102 102 ALA H H 102 7.207 7.207 7.266 -0.059 18701 2291 1 3 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.340 0.092 18701 2292 1 3 . 1 1 103 103 PRO C C 103 178.208 178.208 177.341 0.867 18701 2293 1 3 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.907 0.241 18701 2294 1 3 . 1 1 103 103 PRO CB C 103 32.380 32.380 31.994 0.386 18701 2295 1 3 . 1 1 104 104 VAL N N 104 125.953 125.953 126.325 -0.372 18701 2296 1 3 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.673 -0.077 18701 2297 1 3 . 1 1 104 104 VAL C C 104 177.210 177.210 178.167 -0.957 18701 2298 1 3 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.477 0.416 18701 2299 1 3 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.703 0.270 18701 2300 1 3 . 1 1 104 104 VAL H H 104 8.747 8.747 8.574 0.173 18701 2301 1 3 . 1 1 105 105 ARG N N 105 118.556 118.556 119.465 -0.909 18701 2302 1 3 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.106 -0.021 18701 2303 1 3 . 1 1 105 105 ARG C C 105 179.185 179.185 178.579 0.606 18701 2304 1 3 . 1 1 105 105 ARG CA C 105 59.648 59.648 58.992 0.656 18701 2305 1 3 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.732 -0.038 18701 2306 1 3 . 1 1 105 105 ARG H H 105 8.866 8.866 8.615 0.251 18701 2307 1 3 . 1 1 106 106 ARG N N 106 118.188 118.188 118.239 -0.051 18701 2308 1 3 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.271 -0.053 18701 2309 1 3 . 1 1 106 106 ARG C C 106 177.991 177.991 178.652 -0.661 18701 2310 1 3 . 1 1 106 106 ARG CA C 106 58.579 58.579 58.675 -0.096 18701 2311 1 3 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.572 -0.471 18701 2312 1 3 . 1 1 106 106 ARG H H 106 7.140 7.140 7.732 -0.592 18701 2313 1 3 . 1 1 107 107 ARG N N 107 119.484 119.484 119.044 0.440 18701 2314 1 3 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.251 -0.236 18701 2315 1 3 . 1 1 107 107 ARG C C 107 179.424 179.424 178.289 1.135 18701 2316 1 3 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.865 1.760 18701 2317 1 3 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.773 0.490 18701 2318 1 3 . 1 1 107 107 ARG H H 107 8.246 8.246 8.582 -0.336 18701 2319 1 3 . 1 1 108 108 MET N N 108 117.193 117.193 121.374 -4.181 18701 2320 1 3 . 1 1 108 108 MET HA H 108 4.218 4.218 4.229 -0.011 18701 2321 1 3 . 1 1 108 108 MET C C 108 178.968 178.968 177.674 1.294 18701 2322 1 3 . 1 1 108 108 MET CA C 108 58.671 58.671 57.656 1.015 18701 2323 1 3 . 1 1 108 108 MET CB C 108 32.380 32.380 32.078 0.302 18701 2324 1 3 . 1 1 108 108 MET H H 108 8.599 8.599 8.506 0.093 18701 2325 1 3 . 1 1 109 109 LEU N N 109 123.421 123.421 118.570 4.851 18701 2326 1 3 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.977 0.217 18701 2327 1 3 . 1 1 109 109 LEU C C 109 180.444 180.444 178.992 1.452 18701 2328 1 3 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.725 0.458 18701 2329 1 3 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.297 1.095 18701 2330 1 3 . 1 1 109 109 LEU H H 109 7.924 7.924 7.502 0.422 18701 2331 1 3 . 1 1 110 110 TYR N N 110 120.798 120.798 121.036 -0.238 18701 2332 1 3 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.315 -0.122 18701 2333 1 3 . 1 1 110 110 TYR C C 110 180.574 180.574 178.628 1.946 18701 2334 1 3 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.440 0.162 18701 2335 1 3 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.423 -0.591 18701 2336 1 3 . 1 1 110 110 TYR H H 110 8.761 8.761 7.709 1.052 18701 2337 1 3 . 1 1 111 111 ALA N N 111 123.703 123.703 120.220 3.483 18701 2338 1 3 . 1 1 111 111 ALA HA H 111 4.362 4.362 4.115 0.247 18701 2339 1 3 . 1 1 111 111 ALA C C 111 180.314 180.314 179.393 0.921 18701 2340 1 3 . 1 1 111 111 ALA CA C 111 55.660 55.660 55.175 0.485 18701 2341 1 3 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.198 0.263 18701 2342 1 3 . 1 1 111 111 ALA H H 111 8.668 8.668 9.018 -0.350 18701 2343 1 3 . 1 1 112 112 SER N N 112 112.404 112.404 113.904 -1.500 18701 2344 1 3 . 1 1 112 112 SER HA H 112 4.360 4.360 4.406 -0.046 18701 2345 1 3 . 1 1 112 112 SER C C 112 176.949 176.949 176.587 0.362 18701 2346 1 3 . 1 1 112 112 SER CA C 112 60.869 60.869 61.571 -0.702 18701 2347 1 3 . 1 1 112 112 SER CB C 112 63.474 63.474 63.223 0.251 18701 2348 1 3 . 1 1 112 112 SER H H 112 8.532 8.532 7.947 0.585 18701 2349 1 3 . 1 1 113 113 SER N N 113 115.828 115.828 118.059 -2.231 18701 2350 1 3 . 1 1 113 113 SER HA H 113 4.552 4.552 4.331 0.221 18701 2351 1 3 . 1 1 113 113 SER C C 113 173.390 173.390 175.575 -2.185 18701 2352 1 3 . 1 1 113 113 SER CA C 113 60.218 60.218 60.135 0.083 18701 2353 1 3 . 1 1 113 113 SER CB C 113 63.393 63.393 62.477 0.916 18701 2354 1 3 . 1 1 113 113 SER H H 113 7.607 7.607 7.930 -0.323 18701 2355 1 3 . 1 1 114 114 VAL N N 114 119.484 119.484 122.250 -2.766 18701 2356 1 3 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.512 -0.155 18701 2357 1 3 . 1 1 114 114 VAL C C 114 176.016 176.016 177.281 -1.265 18701 2358 1 3 . 1 1 114 114 VAL CA C 114 64.614 64.614 67.050 -2.436 18701 2359 1 3 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.315 0.576 18701 2360 1 3 . 1 1 114 114 VAL H H 114 6.999 6.999 7.409 -0.410 18701 2361 1 3 . 1 1 115 115 ARG N N 115 121.686 121.686 119.166 2.520 18701 2362 1 3 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.829 -0.129 18701 2363 1 3 . 1 1 115 115 ARG C C 115 178.360 178.360 177.936 0.424 18701 2364 1 3 . 1 1 115 115 ARG CA C 115 59.892 59.892 59.102 0.790 18701 2365 1 3 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.370 -0.166 18701 2366 1 3 . 1 1 115 115 ARG H H 115 7.740 7.740 8.257 -0.517 18701 2367 1 3 . 1 1 116 116 ALA N N 116 121.346 121.346 121.284 0.062 18701 2368 1 3 . 1 1 116 116 ALA HA H 116 4.039 4.039 3.955 0.084 18701 2369 1 3 . 1 1 116 116 ALA C C 116 180.335 180.335 179.435 0.900 18701 2370 1 3 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.947 -0.183 18701 2371 1 3 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.369 -0.478 18701 2372 1 3 . 1 1 116 116 ALA H H 116 7.737 7.737 7.623 0.114 18701 2373 1 3 . 1 1 117 117 LEU N N 117 119.203 119.203 115.810 3.393 18701 2374 1 3 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.868 -0.213 18701 2375 1 3 . 1 1 117 117 LEU C C 117 177.449 177.449 178.458 -1.009 18701 2376 1 3 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.237 0.620 18701 2377 1 3 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.639 0.939 18701 2378 1 3 . 1 1 117 117 LEU H H 117 6.785 6.785 7.493 -0.708 18701 2379 1 3 . 1 1 118 118 LYS N N 118 114.804 114.804 120.107 -5.303 18701 2380 1 3 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.599 0.763 18701 2381 1 3 . 1 1 118 118 LYS C C 118 178.686 178.686 178.099 0.587 18701 2382 1 3 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.074 0.900 18701 2383 1 3 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.336 0.125 18701 2384 1 3 . 1 1 118 118 LYS H H 118 8.132 8.132 8.135 -0.003 18701 2385 1 3 . 1 1 119 119 ALA N N 119 119.833 119.833 120.542 -0.709 18701 2386 1 3 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.380 -0.223 18701 2387 1 3 . 1 1 119 119 ALA C C 119 180.183 180.183 180.596 -0.413 18701 2388 1 3 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.689 -0.250 18701 2389 1 3 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.522 -0.143 18701 2390 1 3 . 1 1 119 119 ALA H H 119 8.068 8.068 7.863 0.205 18701 2391 1 3 . 1 1 120 120 SER N N 120 112.312 112.312 114.331 -2.019 18701 2392 1 3 . 1 1 120 120 SER HA H 120 4.073 4.073 4.273 -0.200 18701 2393 1 3 . 1 1 120 120 SER C C 120 175.799 175.799 175.415 0.384 18701 2394 1 3 . 1 1 120 120 SER CA C 120 61.602 61.602 60.824 0.778 18701 2395 1 3 . 1 1 120 120 SER CB C 120 63.555 63.555 63.155 0.400 18701 2396 1 3 . 1 1 120 120 SER H H 120 7.713 7.713 7.696 0.017 18701 2397 1 3 . 1 1 121 121 LEU N N 121 116.812 116.812 119.333 -2.521 18701 2398 1 3 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.207 -0.122 18701 2399 1 3 . 1 1 121 121 LEU C C 121 176.125 176.125 176.405 -0.280 18701 2400 1 3 . 1 1 121 121 LEU CA C 121 55.904 55.904 53.760 2.144 18701 2401 1 3 . 1 1 121 121 LEU CB C 121 41.252 41.252 41.524 -0.272 18701 2402 1 3 . 1 1 121 121 LEU H H 121 7.272 7.272 7.231 0.041 18701 2403 1 3 . 1 1 122 122 GLY N N 122 108.734 108.734 105.974 2.760 18701 2404 1 3 . 1 1 122 122 GLY C C 122 176.754 176.754 174.990 1.764 18701 2405 1 3 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.339 1.937 18701 2406 1 3 . 1 1 122 122 GLY H H 122 7.377 7.377 7.294 0.083 18701 2407 1 3 . 1 1 123 123 LEU N N 123 116.950 116.950 118.861 -1.911 18701 2408 1 3 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.471 -0.326 18701 2409 1 3 . 1 1 123 123 LEU C C 123 178.187 178.187 177.958 0.229 18701 2410 1 3 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.775 0.175 18701 2411 1 3 . 1 1 123 123 LEU CB C 123 41.903 41.903 40.977 0.926 18701 2412 1 3 . 1 1 123 123 LEU H H 123 8.201 8.201 7.691 0.510 18701 2413 1 3 . 1 1 124 124 GLU N N 124 120.328 120.328 121.279 -0.951 18701 2414 1 3 . 1 1 124 124 GLU HA H 124 3.704 3.704 3.923 -0.219 18701 2415 1 3 . 1 1 124 124 GLU C C 124 176.970 176.970 177.716 -0.746 18701 2416 1 3 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.777 0.685 18701 2417 1 3 . 1 1 124 124 GLU CB C 124 29.205 29.205 29.022 0.183 18701 2418 1 3 . 1 1 124 124 GLU H H 124 9.213 9.213 8.704 0.509 18701 2419 1 3 . 1 1 125 125 SER N N 125 110.938 110.938 111.985 -1.047 18701 2420 1 3 . 1 1 125 125 SER HA H 125 4.456 4.456 4.506 -0.050 18701 2421 1 3 . 1 1 125 125 SER C C 125 174.475 174.475 174.018 0.457 18701 2422 1 3 . 1 1 125 125 SER CA C 125 58.590 58.590 57.839 0.751 18701 2423 1 3 . 1 1 125 125 SER CB C 125 63.555 63.555 63.113 0.442 18701 2424 1 3 . 1 1 125 125 SER H H 125 8.308 8.308 8.230 0.078 18701 2425 1 3 . 1 1 126 126 LEU N N 126 121.193 121.193 121.785 -0.592 18701 2426 1 3 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.137 0.332 18701 2427 1 3 . 1 1 126 126 LEU C C 126 177.774 177.774 175.979 1.795 18701 2428 1 3 . 1 1 126 126 LEU CA C 126 54.927 54.927 54.335 0.592 18701 2429 1 3 . 1 1 126 126 LEU CB C 126 42.066 42.066 43.094 -1.028 18701 2430 1 3 . 1 1 126 126 LEU H H 126 7.178 7.178 7.270 -0.092 18701 2431 1 3 . 1 1 127 127 PHE N N 127 125.109 125.109 119.041 6.068 18701 2432 1 3 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.708 -0.360 18701 2433 1 3 . 1 1 127 127 PHE C C 127 173.542 173.542 174.579 -1.037 18701 2434 1 3 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.294 2.522 18701 2435 1 3 . 1 1 127 127 PHE CB C 127 39.950 39.950 39.581 0.369 18701 2436 1 3 . 1 1 127 127 PHE H H 127 9.050 9.050 8.596 0.454 18701 2437 1 3 . 1 1 128 128 GLN N N 128 125.953 125.953 124.832 1.121 18701 2438 1 3 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.575 -0.065 18701 2439 1 3 . 1 1 128 128 GLN C C 128 174.736 174.736 174.783 -0.047 18701 2440 1 3 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.676 -1.145 18701 2441 1 3 . 1 1 128 128 GLN CB C 128 31.973 31.973 31.672 0.301 18701 2442 1 3 . 1 1 128 128 GLN H H 128 7.618 7.618 8.818 -1.200 18701 2443 1 3 . 1 1 129 129 VAL N N 129 123.703 123.703 126.873 -3.170 18701 2444 1 3 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.556 -0.481 18701 2445 1 3 . 1 1 129 129 VAL C C 129 174.736 174.736 174.175 0.561 18701 2446 1 3 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.763 0.676 18701 2447 1 3 . 1 1 129 129 VAL CB C 129 34.984 34.984 35.371 -0.387 18701 2448 1 3 . 1 1 129 129 VAL H H 129 8.948 8.948 9.473 -0.525 18701 2449 1 3 . 1 1 130 130 GLN N N 130 129.187 129.187 123.671 5.516 18701 2450 1 3 . 1 1 130 130 GLN HA H 130 4.731 4.731 5.114 -0.383 18701 2451 1 3 . 1 1 130 130 GLN C C 130 173.780 173.780 174.360 -0.580 18701 2452 1 3 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.183 0.826 18701 2453 1 3 . 1 1 130 130 GLN CB C 130 28.391 28.391 30.726 -2.335 18701 2454 1 3 . 1 1 130 130 GLN H H 130 8.988 8.988 8.546 0.442 18701 2455 1 3 . 1 1 131 131 ALA N N 131 127.359 127.359 127.861 -0.502 18701 2456 1 3 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.094 -0.278 18701 2457 1 3 . 1 1 131 131 ALA C C 131 174.909 174.909 175.993 -1.084 18701 2458 1 3 . 1 1 131 131 ALA CA C 131 50.765 50.765 49.948 0.817 18701 2459 1 3 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.658 1.093 18701 2460 1 3 . 1 1 131 131 ALA H H 131 8.663 8.663 8.876 -0.213 18701 2461 1 3 . 1 1 132 132 SER N N 132 116.281 116.281 117.841 -1.560 18701 2462 1 3 . 1 1 132 132 SER HA H 132 4.085 4.085 4.333 -0.248 18701 2463 1 3 . 1 1 132 132 SER C C 132 172.087 172.087 173.722 -1.635 18701 2464 1 3 . 1 1 132 132 SER CA C 132 57.667 57.667 59.304 -1.637 18701 2465 1 3 . 1 1 132 132 SER CB C 132 65.916 65.916 65.053 0.863 18701 2466 1 3 . 1 1 132 132 SER H H 132 9.369 9.369 8.533 0.836 18701 2467 1 3 . 1 1 133 133 GLU N N 133 119.487 119.487 120.587 -1.100 18701 2468 1 3 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.246 0.581 18701 2469 1 3 . 1 1 133 133 GLU C C 133 177.666 177.666 177.726 -0.060 18701 2470 1 3 . 1 1 133 133 GLU CA C 133 54.998 54.998 56.161 -1.163 18701 2471 1 3 . 1 1 133 133 GLU CB C 133 33.112 33.112 30.736 2.376 18701 2472 1 3 . 1 1 133 133 GLU H H 133 7.739 7.739 7.756 -0.017 18701 2473 1 3 . 1 1 134 134 MET N N 134 122.237 122.237 124.203 -1.966 18701 2474 1 3 . 1 1 134 134 MET HA H 134 4.529 4.529 4.499 0.030 18701 2475 1 3 . 1 1 134 134 MET C C 134 180.856 180.856 176.863 3.993 18701 2476 1 3 . 1 1 134 134 MET CA C 134 56.593 56.593 58.653 -2.060 18701 2477 1 3 . 1 1 134 134 MET CB C 134 29.042 29.042 32.505 -3.463 18701 2478 1 3 . 1 1 134 134 MET H H 134 9.143 9.143 8.905 0.238 18701 2479 1 3 . 1 1 135 135 SER N N 135 116.214 116.214 112.316 3.898 18701 2480 1 3 . 1 1 135 135 SER HA H 135 4.205 4.205 4.410 -0.205 18701 2481 1 3 . 1 1 135 135 SER C C 135 176.993 176.993 175.823 1.170 18701 2482 1 3 . 1 1 135 135 SER CA C 135 61.216 61.216 60.797 0.418 18701 2483 1 3 . 1 1 135 135 SER CB C 135 62.253 62.253 62.904 -0.651 18701 2484 1 3 . 1 1 135 135 SER H H 135 8.659 8.659 8.115 0.544 18701 2485 1 3 . 1 1 136 136 ASP N N 136 122.296 122.296 122.865 -0.569 18701 2486 1 3 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.494 0.059 18701 2487 1 3 . 1 1 136 136 ASP C C 136 175.647 175.647 177.271 -1.624 18701 2488 1 3 . 1 1 136 136 ASP CA C 136 56.881 56.881 56.577 0.304 18701 2489 1 3 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.106 0.553 18701 2490 1 3 . 1 1 136 136 ASP H H 136 7.861 7.861 7.850 0.011 18701 2491 1 3 . 1 1 137 137 LEU N N 137 113.859 113.859 112.960 0.899 18701 2492 1 3 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.609 -0.092 18701 2493 1 3 . 1 1 137 137 LEU C C 137 176.038 176.038 176.441 -0.403 18701 2494 1 3 . 1 1 137 137 LEU CA C 137 53.218 53.218 53.515 -0.297 18701 2495 1 3 . 1 1 137 137 LEU CB C 137 41.822 41.822 40.018 1.804 18701 2496 1 3 . 1 1 137 137 LEU H H 137 7.617 7.617 7.477 0.140 18701 2497 1 3 . 1 1 138 138 ASP N N 138 119.906 119.906 121.740 -1.834 18701 2498 1 3 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.521 -0.196 18701 2499 1 3 . 1 1 138 138 ASP C C 138 175.842 175.842 177.571 -1.729 18701 2500 1 3 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.774 1.211 18701 2501 1 3 . 1 1 138 138 ASP CB C 138 43.287 43.287 43.198 0.089 18701 2502 1 3 . 1 1 138 138 ASP H H 138 7.119 7.119 7.445 -0.326 18701 2503 1 3 . 1 1 139 139 GLU N N 139 128.062 128.062 125.827 2.235 18701 2504 1 3 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.936 -0.627 18701 2505 1 3 . 1 1 139 139 GLU C C 139 177.275 177.275 177.841 -0.566 18701 2506 1 3 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.984 1.315 18701 2507 1 3 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.205 1.303 18701 2508 1 3 . 1 1 139 139 GLU H H 139 8.943 8.943 8.915 0.028 18701 2509 1 3 . 1 1 140 140 LYS N N 140 115.993 115.993 118.893 -2.900 18701 2510 1 3 . 1 1 140 140 LYS HA H 140 3.894 3.894 4.085 -0.191 18701 2511 1 3 . 1 1 140 140 LYS C C 140 179.771 179.771 178.164 1.607 18701 2512 1 3 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.391 1.164 18701 2513 1 3 . 1 1 140 140 LYS CB C 140 31.973 31.973 32.108 -0.135 18701 2514 1 3 . 1 1 140 140 LYS H H 140 8.243 8.243 8.194 0.049 18701 2515 1 3 . 1 1 141 141 SER N N 141 116.877 116.877 113.547 3.330 18701 2516 1 3 . 1 1 141 141 SER HA H 141 4.184 4.184 4.560 -0.376 18701 2517 1 3 . 1 1 141 141 SER C C 141 175.973 175.973 175.888 0.085 18701 2518 1 3 . 1 1 141 141 SER CA C 141 61.737 61.737 60.154 1.583 18701 2519 1 3 . 1 1 141 141 SER CB C 141 62.986 62.986 64.905 -1.919 18701 2520 1 3 . 1 1 141 141 SER H H 141 7.856 7.856 8.175 -0.319 18701 2521 1 3 . 1 1 142 142 VAL N N 142 121.874 121.874 122.221 -0.347 18701 2522 1 3 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.610 0.166 18701 2523 1 3 . 1 1 142 142 VAL C C 142 178.165 178.165 177.355 0.810 18701 2524 1 3 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.782 -1.052 18701 2525 1 3 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.522 0.858 18701 2526 1 3 . 1 1 142 142 VAL H H 142 8.476 8.476 7.609 0.867 18701 2527 1 3 . 1 1 143 143 LYS N N 143 116.141 116.141 119.247 -3.106 18701 2528 1 3 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.990 -0.371 18701 2529 1 3 . 1 1 143 143 LYS C C 143 178.512 178.512 179.070 -0.558 18701 2530 1 3 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.154 2.122 18701 2531 1 3 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.906 0.230 18701 2532 1 3 . 1 1 143 143 LYS H H 143 8.157 8.157 7.553 0.604 18701 2533 1 3 . 1 1 144 144 SER N N 144 113.862 113.862 115.179 -1.317 18701 2534 1 3 . 1 1 144 144 SER HA H 144 4.158 4.158 4.217 -0.059 18701 2535 1 3 . 1 1 144 144 SER C C 144 177.340 177.340 176.612 0.728 18701 2536 1 3 . 1 1 144 144 SER CA C 144 61.769 61.769 62.161 -0.392 18701 2537 1 3 . 1 1 144 144 SER CB C 144 62.986 62.986 62.933 0.053 18701 2538 1 3 . 1 1 144 144 SER H H 144 7.754 7.754 7.747 0.007 18701 2539 1 3 . 1 1 145 145 ASP N N 145 123.316 123.316 122.423 0.893 18701 2540 1 3 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.458 -0.050 18701 2541 1 3 . 1 1 145 145 ASP C C 145 178.708 178.708 178.390 0.318 18701 2542 1 3 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.111 0.258 18701 2543 1 3 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.109 -0.915 18701 2544 1 3 . 1 1 145 145 ASP H H 145 8.172 8.172 8.224 -0.052 18701 2545 1 3 . 1 1 146 146 LEU N N 146 121.453 121.453 117.408 4.045 18701 2546 1 3 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.071 -1.013 18701 2547 1 3 . 1 1 146 146 LEU C C 146 178.447 178.447 178.184 0.263 18701 2548 1 3 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.307 0.062 18701 2549 1 3 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.374 1.262 18701 2550 1 3 . 1 1 146 146 LEU H H 146 8.186 8.186 8.265 -0.079 18701 2551 1 3 . 1 1 147 147 MET N N 147 115.468 115.468 118.397 -2.929 18701 2552 1 3 . 1 1 147 147 MET HA H 147 4.314 4.314 4.080 0.234 18701 2553 1 3 . 1 1 147 147 MET C C 147 177.839 177.839 178.767 -0.928 18701 2554 1 3 . 1 1 147 147 MET CA C 147 56.311 56.311 58.018 -1.707 18701 2555 1 3 . 1 1 147 147 MET CB C 147 31.891 31.891 31.518 0.373 18701 2556 1 3 . 1 1 147 147 MET H H 147 7.622 7.622 7.488 0.134 18701 2557 1 3 . 1 1 148 148 SER N N 148 115.203 115.203 115.111 0.092 18701 2558 1 3 . 1 1 148 148 SER HA H 148 4.338 4.338 4.194 0.144 18701 2559 1 3 . 1 1 148 148 SER C C 148 174.953 174.953 176.276 -1.323 18701 2560 1 3 . 1 1 148 148 SER CA C 148 60.137 60.137 61.624 -1.487 18701 2561 1 3 . 1 1 148 148 SER CB C 148 63.637 63.637 63.004 0.633 18701 2562 1 3 . 1 1 148 148 SER H H 148 7.836 7.836 7.768 0.068 18701 2563 1 3 . 1 1 149 149 ASN N N 149 119.635 119.635 117.394 2.241 18701 2564 1 3 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.838 -0.155 18701 2565 1 3 . 1 1 149 149 ASN C C 149 174.953 174.953 175.163 -0.210 18701 2566 1 3 . 1 1 149 149 ASN CA C 149 54.439 54.439 53.472 0.966 18701 2567 1 3 . 1 1 149 149 ASN CB C 149 39.706 39.706 38.464 1.242 18701 2568 1 3 . 1 1 149 149 ASN H H 149 8.040 8.040 7.662 0.378 18701 2569 1 3 . 1 1 150 150 GLN N N 150 118.805 118.805 118.948 -0.143 18701 2570 1 3 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.895 0.418 18701 2571 1 3 . 1 1 150 150 GLN C C 150 175.365 175.365 176.458 -1.093 18701 2572 1 3 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.380 -2.557 18701 2573 1 3 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.286 0.001 18701 2574 1 3 . 1 1 150 150 GLN H H 150 8.041 8.041 7.278 0.763 18701 2575 1 3 . 1 1 151 151 ARG N N 151 122.082 122.082 115.228 6.854 18701 2576 1 3 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.582 -0.220 18701 2577 1 3 . 1 1 151 151 ARG C C 151 175.213 175.213 175.205 0.008 18701 2578 1 3 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.494 0.838 18701 2579 1 3 . 1 1 151 151 ARG CB C 151 30.426 30.426 29.445 0.982 18701 2580 1 3 . 1 1 151 151 ARG H H 151 8.221 8.221 8.165 0.056 18701 2581 1 4 . 1 1 2 2 ALA N N 2 126.155 126.155 118.642 7.513 18701 2582 1 4 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.844 -0.502 18701 2583 1 4 . 1 1 2 2 ALA C C 2 177.458 177.458 175.625 1.833 18701 2584 1 4 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.143 0.673 18701 2585 1 4 . 1 1 2 2 ALA CB C 2 19.437 19.437 21.083 -1.646 18701 2586 1 4 . 1 1 2 2 ALA H H 2 8.404 8.404 7.609 0.795 18701 2587 1 4 . 1 1 3 3 SER N N 3 115.406 115.406 118.006 -2.600 18701 2588 1 4 . 1 1 3 3 SER HA H 3 4.409 4.409 4.530 -0.121 18701 2589 1 4 . 1 1 3 3 SER C C 3 174.739 174.739 173.832 0.907 18701 2590 1 4 . 1 1 3 3 SER CA C 3 58.346 58.346 58.741 -0.395 18701 2591 1 4 . 1 1 3 3 SER CB C 3 64.207 64.207 63.677 0.530 18701 2592 1 4 . 1 1 3 3 SER H H 3 8.283 8.283 9.206 -0.923 18701 2593 1 4 . 1 1 4 4 GLY N N 4 110.853 110.853 111.245 -0.392 18701 2594 1 4 . 1 1 4 4 GLY C C 4 173.502 173.502 173.555 -0.053 18701 2595 1 4 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.856 0.222 18701 2596 1 4 . 1 1 4 4 GLY H H 4 8.358 8.358 8.244 0.114 18701 2597 1 4 . 1 1 5 5 VAL N N 5 119.781 119.781 120.915 -1.134 18701 2598 1 4 . 1 1 5 5 VAL HA H 5 3.883 3.883 3.959 -0.076 18701 2599 1 4 . 1 1 5 5 VAL C C 5 175.390 175.390 176.071 -0.681 18701 2600 1 4 . 1 1 5 5 VAL CA C 5 62.518 62.518 62.767 -0.249 18701 2601 1 4 . 1 1 5 5 VAL CB C 5 32.705 32.705 32.163 0.542 18701 2602 1 4 . 1 1 5 5 VAL H H 5 7.836 7.836 8.041 -0.205 18701 2603 1 4 . 1 1 6 6 LYS N N 6 124.873 124.873 128.697 -3.824 18701 2604 1 4 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.425 0.044 18701 2605 1 4 . 1 1 6 6 LYS C C 6 175.278 175.278 176.082 -0.804 18701 2606 1 4 . 1 1 6 6 LYS CA C 6 54.927 54.927 55.260 -0.333 18701 2607 1 4 . 1 1 6 6 LYS CB C 6 34.577 34.577 33.690 0.887 18701 2608 1 4 . 1 1 6 6 LYS H H 6 7.988 7.988 8.334 -0.346 18701 2609 1 4 . 1 1 7 7 VAL N N 7 122.213 122.213 117.060 5.153 18701 2610 1 4 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.366 -0.483 18701 2611 1 4 . 1 1 7 7 VAL C C 7 175.756 175.756 174.638 1.118 18701 2612 1 4 . 1 1 7 7 VAL CA C 7 62.334 62.334 59.801 2.533 18701 2613 1 4 . 1 1 7 7 VAL CB C 7 32.054 32.054 33.297 -1.243 18701 2614 1 4 . 1 1 7 7 VAL H H 7 8.757 8.757 8.153 0.604 18701 2615 1 4 . 1 1 8 8 ASP N N 8 131.718 131.718 125.275 6.443 18701 2616 1 4 . 1 1 8 8 ASP HA H 8 4.673 4.673 4.982 -0.309 18701 2617 1 4 . 1 1 8 8 ASP C C 8 176.237 176.237 175.927 0.310 18701 2618 1 4 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.971 3.468 18701 2619 1 4 . 1 1 8 8 ASP CB C 8 44.590 44.590 42.727 1.863 18701 2620 1 4 . 1 1 8 8 ASP H H 8 8.820 8.820 8.235 0.585 18701 2621 1 4 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.406 -0.022 18701 2622 1 4 . 1 1 9 9 PRO C C 9 177.535 177.535 177.912 -0.377 18701 2623 1 4 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.650 0.859 18701 2624 1 4 . 1 1 9 9 PRO CB C 9 32.054 32.054 31.945 0.109 18701 2625 1 4 . 1 1 10 10 SER N N 10 113.842 113.842 116.638 -2.796 18701 2626 1 4 . 1 1 10 10 SER HA H 10 4.265 4.265 4.271 -0.006 18701 2627 1 4 . 1 1 10 10 SER C C 10 177.666 177.666 176.402 1.264 18701 2628 1 4 . 1 1 10 10 SER CA C 10 61.541 61.541 62.037 -0.496 18701 2629 1 4 . 1 1 10 10 SER CB C 10 62.660 62.660 62.845 -0.185 18701 2630 1 4 . 1 1 10 10 SER H H 10 8.811 8.811 8.281 0.530 18701 2631 1 4 . 1 1 11 11 CYS N N 11 121.231 121.231 120.464 0.767 18701 2632 1 4 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.125 0.021 18701 2633 1 4 . 1 1 11 11 CYS C C 11 176.211 176.211 176.328 -0.117 18701 2634 1 4 . 1 1 11 11 CYS CA C 11 62.986 62.986 63.316 -0.330 18701 2635 1 4 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.171 0.325 18701 2636 1 4 . 1 1 11 11 CYS H H 11 8.459 8.459 9.121 -0.662 18701 2637 1 4 . 1 1 12 12 LYS N N 12 119.862 119.862 120.644 -0.782 18701 2638 1 4 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.047 -0.101 18701 2639 1 4 . 1 1 12 12 LYS C C 12 177.687 177.687 178.221 -0.534 18701 2640 1 4 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.659 0.582 18701 2641 1 4 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.679 0.782 18701 2642 1 4 . 1 1 12 12 LYS H H 12 7.615 7.615 7.647 -0.032 18701 2643 1 4 . 1 1 13 13 ASN N N 13 116.871 116.871 118.075 -1.204 18701 2644 1 4 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.427 0.041 18701 2645 1 4 . 1 1 13 13 ASN C C 13 177.297 177.297 177.301 -0.004 18701 2646 1 4 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.281 0.356 18701 2647 1 4 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.603 -0.118 18701 2648 1 4 . 1 1 13 13 ASN H H 13 7.489 7.489 8.268 -0.779 18701 2649 1 4 . 1 1 14 14 ALA N N 14 119.990 119.990 122.029 -2.039 18701 2650 1 4 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.197 0.044 18701 2651 1 4 . 1 1 14 14 ALA C C 14 179.077 179.077 178.760 0.317 18701 2652 1 4 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.306 1.272 18701 2653 1 4 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.626 -0.165 18701 2654 1 4 . 1 1 14 14 ALA H H 14 8.054 8.054 7.707 0.347 18701 2655 1 4 . 1 1 15 15 TYR N N 15 118.280 118.280 120.188 -1.908 18701 2656 1 4 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.017 0.034 18701 2657 1 4 . 1 1 15 15 TYR C C 15 177.123 177.123 177.322 -0.199 18701 2658 1 4 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.734 1.007 18701 2659 1 4 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.466 0.995 18701 2660 1 4 . 1 1 15 15 TYR H H 15 8.380 8.380 8.347 0.033 18701 2661 1 4 . 1 1 16 16 ASP N N 16 121.008 121.008 118.856 2.152 18701 2662 1 4 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.185 0.117 18701 2663 1 4 . 1 1 16 16 ASP C C 16 179.185 179.185 178.605 0.580 18701 2664 1 4 . 1 1 16 16 ASP CA C 16 58.102 58.102 57.749 0.353 18701 2665 1 4 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.259 0.098 18701 2666 1 4 . 1 1 16 16 ASP H H 16 8.722 8.722 8.227 0.495 18701 2667 1 4 . 1 1 17 17 LEU N N 17 119.368 119.368 118.561 0.807 18701 2668 1 4 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.076 -0.209 18701 2669 1 4 . 1 1 17 17 LEU C C 17 178.708 178.708 179.092 -0.384 18701 2670 1 4 . 1 1 17 17 LEU CA C 17 58.102 58.102 57.646 0.456 18701 2671 1 4 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.997 0.069 18701 2672 1 4 . 1 1 17 17 LEU H H 17 7.477 7.477 7.324 0.153 18701 2673 1 4 . 1 1 18 18 LEU N N 18 121.503 121.503 116.484 5.019 18701 2674 1 4 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.223 -0.125 18701 2675 1 4 . 1 1 18 18 LEU C C 18 176.580 176.580 178.449 -1.869 18701 2676 1 4 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.340 2.562 18701 2677 1 4 . 1 1 18 18 LEU CB C 18 43.625 43.625 40.843 2.782 18701 2678 1 4 . 1 1 18 18 LEU H H 18 7.762 7.762 7.652 0.110 18701 2679 1 4 . 1 1 19 19 HIS N N 19 116.605 116.605 119.043 -2.438 18701 2680 1 4 . 1 1 19 19 HIS HA H 19 3.741 3.741 3.707 0.034 18701 2681 1 4 . 1 1 19 19 HIS C C 19 174.627 174.627 176.359 -1.732 18701 2682 1 4 . 1 1 19 19 HIS CA C 19 58.904 58.904 60.102 -1.198 18701 2683 1 4 . 1 1 19 19 HIS CB C 19 30.019 30.019 29.945 0.074 18701 2684 1 4 . 1 1 19 19 HIS H H 19 8.983 8.983 8.305 0.678 18701 2685 1 4 . 1 1 20 20 ASN N N 20 112.497 112.497 116.552 -4.055 18701 2686 1 4 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.717 -0.152 18701 2687 1 4 . 1 1 20 20 ASN C C 20 176.624 176.624 177.163 -0.539 18701 2688 1 4 . 1 1 20 20 ASN CA C 20 54.195 54.195 55.378 -1.183 18701 2689 1 4 . 1 1 20 20 ASN CB C 20 38.580 38.580 38.638 -0.058 18701 2690 1 4 . 1 1 20 20 ASN H H 20 8.308 8.308 8.357 -0.049 18701 2691 1 4 . 1 1 21 21 LYS N N 21 113.544 113.544 117.478 -3.934 18701 2692 1 4 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.357 0.051 18701 2693 1 4 . 1 1 21 21 LYS C C 21 175.669 175.669 176.358 -0.689 18701 2694 1 4 . 1 1 21 21 LYS CA C 21 55.291 55.291 56.407 -1.116 18701 2695 1 4 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.969 0.306 18701 2696 1 4 . 1 1 21 21 LYS H H 21 6.621 6.621 7.723 -1.102 18701 2697 1 4 . 1 1 22 22 HIS N N 22 115.701 115.701 114.275 1.426 18701 2698 1 4 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.353 0.366 18701 2699 1 4 . 1 1 22 22 HIS C C 22 174.670 174.670 175.399 -0.729 18701 2700 1 4 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.920 -0.588 18701 2701 1 4 . 1 1 22 22 HIS CB C 22 25.721 25.721 26.814 -1.093 18701 2702 1 4 . 1 1 22 22 HIS H H 22 6.838 6.838 7.830 -0.992 18701 2703 1 4 . 1 1 23 23 GLN N N 23 114.330 114.330 117.337 -3.007 18701 2704 1 4 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.999 0.016 18701 2705 1 4 . 1 1 23 23 GLN C C 23 174.041 174.041 173.991 0.050 18701 2706 1 4 . 1 1 23 23 GLN CA C 23 56.311 56.311 58.119 -1.808 18701 2707 1 4 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.592 1.093 18701 2708 1 4 . 1 1 23 23 GLN H H 23 8.028 8.028 7.683 0.345 18701 2709 1 4 . 1 1 24 24 HIS N N 24 111.043 111.043 114.780 -3.737 18701 2710 1 4 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.881 -0.735 18701 2711 1 4 . 1 1 24 24 HIS C C 24 175.083 175.083 175.165 -0.082 18701 2712 1 4 . 1 1 24 24 HIS CA C 24 53.305 53.305 54.769 -1.464 18701 2713 1 4 . 1 1 24 24 HIS CB C 24 33.845 33.845 31.358 2.487 18701 2714 1 4 . 1 1 24 24 HIS H H 24 6.670 6.670 7.662 -0.992 18701 2715 1 4 . 1 1 25 25 SER N N 25 115.307 115.307 118.689 -3.382 18701 2716 1 4 . 1 1 25 25 SER HA H 25 4.600 4.600 4.422 0.178 18701 2717 1 4 . 1 1 25 25 SER C C 25 173.368 173.368 173.310 0.058 18701 2718 1 4 . 1 1 25 25 SER CA C 25 59.648 59.648 60.839 -1.191 18701 2719 1 4 . 1 1 25 25 SER CB C 25 64.532 64.532 64.798 -0.266 18701 2720 1 4 . 1 1 25 25 SER H H 25 7.591 7.591 8.221 -0.630 18701 2721 1 4 . 1 1 26 26 TYR N N 26 111.318 111.318 114.236 -2.918 18701 2722 1 4 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.715 -0.361 18701 2723 1 4 . 1 1 26 26 TYR C C 26 173.411 173.411 173.039 0.372 18701 2724 1 4 . 1 1 26 26 TYR CA C 26 56.392 56.392 55.402 0.990 18701 2725 1 4 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.318 -0.310 18701 2726 1 4 . 1 1 26 26 TYR H H 26 6.635 6.635 7.212 -0.577 18701 2727 1 4 . 1 1 27 27 ILE N N 27 119.710 119.710 121.515 -1.805 18701 2728 1 4 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.848 -0.319 18701 2729 1 4 . 1 1 27 27 ILE C C 27 174.323 174.323 173.619 0.704 18701 2730 1 4 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.406 1.300 18701 2731 1 4 . 1 1 27 27 ILE CB C 27 44.020 44.020 42.353 1.667 18701 2732 1 4 . 1 1 27 27 ILE H H 27 9.191 9.191 9.066 0.125 18701 2733 1 4 . 1 1 28 28 ILE N N 28 125.249 125.249 127.192 -1.943 18701 2734 1 4 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.766 0.038 18701 2735 1 4 . 1 1 28 28 ILE C C 28 174.757 174.757 174.752 0.005 18701 2736 1 4 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.413 0.539 18701 2737 1 4 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.950 0.163 18701 2738 1 4 . 1 1 28 28 ILE H H 28 9.049 9.049 9.248 -0.199 18701 2739 1 4 . 1 1 29 29 PHE N N 29 126.153 126.153 129.111 -2.958 18701 2740 1 4 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.044 0.681 18701 2741 1 4 . 1 1 29 29 PHE C C 29 174.193 174.193 174.020 0.173 18701 2742 1 4 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.672 -0.849 18701 2743 1 4 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.099 0.781 18701 2744 1 4 . 1 1 29 29 PHE H H 29 9.514 9.514 9.119 0.395 18701 2745 1 4 . 1 1 30 30 LYS N N 30 116.531 116.531 127.963 -11.432 18701 2746 1 4 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.261 0.890 18701 2747 1 4 . 1 1 30 30 LYS C C 30 173.411 173.411 173.635 -0.224 18701 2748 1 4 . 1 1 30 30 LYS CA C 30 54.276 54.276 53.767 0.509 18701 2749 1 4 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.675 0.507 18701 2750 1 4 . 1 1 30 30 LYS H H 30 8.950 8.950 8.259 0.691 18701 2751 1 4 . 1 1 31 31 ILE N N 31 120.757 120.757 127.053 -6.296 18701 2752 1 4 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.196 0.488 18701 2753 1 4 . 1 1 31 31 ILE C C 31 174.714 174.714 174.367 0.347 18701 2754 1 4 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.464 0.382 18701 2755 1 4 . 1 1 31 31 ILE CB C 31 37.508 37.508 38.396 -0.888 18701 2756 1 4 . 1 1 31 31 ILE H H 31 8.256 8.256 8.569 -0.313 18701 2757 1 4 . 1 1 32 32 ASP N N 32 130.811 130.811 129.970 0.841 18701 2758 1 4 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.893 -0.448 18701 2759 1 4 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.004 0.659 18701 2760 1 4 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.918 -6.429 18701 2761 1 4 . 1 1 32 32 ASP H H 32 9.441 9.441 8.473 0.968 18701 2762 1 4 . 1 1 33 33 LYS HA H 33 4.314 4.314 4.017 0.297 18701 2763 1 4 . 1 1 33 33 LYS C C 33 174.759 174.759 176.360 -1.601 18701 2764 1 4 . 1 1 33 33 LYS CA C 33 56.230 56.230 56.917 -0.687 18701 2765 1 4 . 1 1 33 33 LYS CB C 33 29.205 29.205 32.549 -3.344 18701 2766 1 4 . 1 1 34 34 ASN N N 34 117.759 117.759 123.407 -5.648 18701 2767 1 4 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.516 0.168 18701 2768 1 4 . 1 1 34 34 ASN C C 34 174.736 174.736 176.033 -1.297 18701 2769 1 4 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.248 -1.097 18701 2770 1 4 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.680 0.944 18701 2771 1 4 . 1 1 34 34 ASN H H 34 8.573 8.573 8.858 -0.285 18701 2772 1 4 . 1 1 35 35 ASP N N 35 115.713 115.713 117.239 -1.526 18701 2773 1 4 . 1 1 35 35 ASP C C 35 175.586 175.586 175.051 0.535 18701 2774 1 4 . 1 1 35 35 ASP CA C 35 54.043 54.043 53.882 0.161 18701 2775 1 4 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.618 1.473 18701 2776 1 4 . 1 1 35 35 ASP H H 35 8.134 8.134 8.131 0.003 18701 2777 1 4 . 1 1 36 36 THR HA H 36 4.565 4.565 4.091 0.474 18701 2778 1 4 . 1 1 36 36 THR C C 36 175.517 175.517 172.705 2.812 18701 2779 1 4 . 1 1 36 36 THR CA C 36 62.579 62.579 63.520 -0.941 18701 2780 1 4 . 1 1 36 36 THR CB C 36 71.858 71.858 66.675 5.183 18701 2781 1 4 . 1 1 37 37 ALA N N 37 124.761 124.761 126.356 -1.595 18701 2782 1 4 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.327 0.171 18701 2783 1 4 . 1 1 37 37 ALA C C 37 175.300 175.300 175.509 -0.209 18701 2784 1 4 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.691 0.790 18701 2785 1 4 . 1 1 37 37 ALA CB C 37 22.612 22.612 23.152 -0.540 18701 2786 1 4 . 1 1 37 37 ALA H H 37 8.054 8.054 8.697 -0.643 18701 2787 1 4 . 1 1 38 38 ILE N N 38 121.171 121.171 120.750 0.421 18701 2788 1 4 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.451 0.216 18701 2789 1 4 . 1 1 38 38 ILE C C 38 174.301 174.301 175.253 -0.952 18701 2790 1 4 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.674 -1.235 18701 2791 1 4 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.494 0.723 18701 2792 1 4 . 1 1 38 38 ILE H H 38 8.623 8.623 8.237 0.386 18701 2793 1 4 . 1 1 39 39 VAL N N 39 118.121 118.121 126.288 -8.167 18701 2794 1 4 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.487 0.186 18701 2795 1 4 . 1 1 39 39 VAL C C 39 174.974 174.974 174.055 0.919 18701 2796 1 4 . 1 1 39 39 VAL CA C 39 59.078 59.078 60.057 -0.979 18701 2797 1 4 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.650 -1.177 18701 2798 1 4 . 1 1 39 39 VAL H H 39 9.083 9.083 8.201 0.882 18701 2799 1 4 . 1 1 40 40 VAL N N 40 121.315 121.315 124.747 -3.432 18701 2800 1 4 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.520 -0.732 18701 2801 1 4 . 1 1 40 40 VAL C C 40 175.300 175.300 175.967 -0.667 18701 2802 1 4 . 1 1 40 40 VAL CA C 40 63.800 63.800 62.420 1.380 18701 2803 1 4 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.331 1.293 18701 2804 1 4 . 1 1 40 40 VAL H H 40 8.345 8.345 8.488 -0.143 18701 2805 1 4 . 1 1 41 41 GLU N N 41 130.920 130.920 128.883 2.037 18701 2806 1 4 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.370 0.039 18701 2807 1 4 . 1 1 41 41 GLU C C 41 175.647 175.647 176.248 -0.601 18701 2808 1 4 . 1 1 41 41 GLU CA C 41 57.206 57.206 58.004 -0.798 18701 2809 1 4 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.449 2.068 18701 2810 1 4 . 1 1 41 41 GLU H H 41 9.388 9.388 8.855 0.533 18701 2811 1 4 . 1 1 42 42 LYS N N 42 115.836 115.836 117.019 -1.183 18701 2812 1 4 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.635 0.019 18701 2813 1 4 . 1 1 42 42 LYS C C 42 173.715 173.715 174.021 -0.306 18701 2814 1 4 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.584 -1.064 18701 2815 1 4 . 1 1 42 42 LYS CB C 42 36.857 36.857 37.160 -0.303 18701 2816 1 4 . 1 1 42 42 LYS H H 42 7.523 7.523 7.716 -0.193 18701 2817 1 4 . 1 1 43 43 VAL N N 43 118.472 118.472 121.079 -2.607 18701 2818 1 4 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.557 -0.112 18701 2819 1 4 . 1 1 43 43 VAL C C 43 174.931 174.931 173.962 0.969 18701 2820 1 4 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.997 -0.349 18701 2821 1 4 . 1 1 43 43 VAL CB C 43 34.170 34.170 35.051 -0.881 18701 2822 1 4 . 1 1 43 43 VAL H H 43 8.315 8.315 8.345 -0.030 18701 2823 1 4 . 1 1 44 44 GLY N N 44 112.479 112.479 114.155 -1.676 18701 2824 1 4 . 1 1 44 44 GLY C C 44 174.149 174.149 172.822 1.327 18701 2825 1 4 . 1 1 44 44 GLY CA C 44 43.384 43.384 42.913 0.471 18701 2826 1 4 . 1 1 44 44 GLY H H 44 7.953 7.953 8.623 -0.670 18701 2827 1 4 . 1 1 45 45 GLU N N 45 122.999 122.999 118.105 4.894 18701 2828 1 4 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.642 -0.223 18701 2829 1 4 . 1 1 45 45 GLU C C 45 175.365 175.365 178.472 -3.107 18701 2830 1 4 . 1 1 45 45 GLU CA C 45 56.392 56.392 54.688 1.704 18701 2831 1 4 . 1 1 45 45 GLU CB C 45 30.670 30.670 31.688 -1.018 18701 2832 1 4 . 1 1 45 45 GLU H H 45 8.949 8.949 8.533 0.416 18701 2833 1 4 . 1 1 48 48 ALA N N 48 124.687 124.687 123.610 1.077 18701 2834 1 4 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.825 -0.404 18701 2835 1 4 . 1 1 48 48 ALA C C 48 176.210 176.210 175.452 0.758 18701 2836 1 4 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.339 2.170 18701 2837 1 4 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.842 -2.195 18701 2838 1 4 . 1 1 48 48 ALA H H 48 7.627 7.627 7.431 0.196 18701 2839 1 4 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.645 0.004 18701 2840 1 4 . 1 1 49 49 PRO C C 49 177.535 177.535 177.493 0.042 18701 2841 1 4 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.057 0.440 18701 2842 1 4 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.863 -0.727 18701 2843 1 4 . 1 1 50 50 TYR N N 50 127.091 127.091 116.698 10.393 18701 2844 1 4 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.347 -0.286 18701 2845 1 4 . 1 1 50 50 TYR C C 50 177.427 177.427 177.260 0.167 18701 2846 1 4 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.984 1.675 18701 2847 1 4 . 1 1 50 50 TYR CB C 50 38.240 38.240 36.526 1.714 18701 2848 1 4 . 1 1 50 50 TYR H H 50 9.065 9.065 8.422 0.643 18701 2849 1 4 . 1 1 51 51 ALA N N 51 117.547 117.547 122.839 -5.292 18701 2850 1 4 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.843 0.232 18701 2851 1 4 . 1 1 51 51 ALA C C 51 179.836 179.836 179.515 0.321 18701 2852 1 4 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.890 0.119 18701 2853 1 4 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.452 1.578 18701 2854 1 4 . 1 1 51 51 ALA H H 51 8.910 8.910 7.934 0.976 18701 2855 1 4 . 1 1 52 52 GLU N N 52 117.688 117.688 119.076 -1.388 18701 2856 1 4 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.072 -0.046 18701 2857 1 4 . 1 1 52 52 GLU C C 52 177.970 177.970 178.699 -0.729 18701 2858 1 4 . 1 1 52 52 GLU CA C 52 59.241 59.241 59.268 -0.027 18701 2859 1 4 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.391 0.384 18701 2860 1 4 . 1 1 52 52 GLU H H 52 7.708 7.708 8.372 -0.664 18701 2861 1 4 . 1 1 53 53 PHE N N 53 120.303 120.303 120.470 -0.167 18701 2862 1 4 . 1 1 53 53 PHE HA H 53 2.974 2.974 3.236 -0.262 18701 2863 1 4 . 1 1 53 53 PHE C C 53 175.582 175.582 177.490 -1.908 18701 2864 1 4 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.318 -0.426 18701 2865 1 4 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.574 -1.880 18701 2866 1 4 . 1 1 53 53 PHE H H 53 6.778 6.778 7.651 -0.873 18701 2867 1 4 . 1 1 54 54 VAL N N 54 117.631 117.631 119.156 -1.525 18701 2868 1 4 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.084 -0.733 18701 2869 1 4 . 1 1 54 54 VAL C C 54 177.101 177.101 177.992 -0.891 18701 2870 1 4 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.409 0.484 18701 2871 1 4 . 1 1 54 54 VAL CB C 54 31.484 31.484 30.655 0.829 18701 2872 1 4 . 1 1 54 54 VAL H H 54 7.104 7.104 8.398 -1.294 18701 2873 1 4 . 1 1 55 55 GLU N N 55 118.253 118.253 119.338 -1.085 18701 2874 1 4 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.883 -0.143 18701 2875 1 4 . 1 1 55 55 GLU C C 55 178.859 178.859 179.445 -0.586 18701 2876 1 4 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.578 -0.662 18701 2877 1 4 . 1 1 55 55 GLU CB C 55 29.287 29.287 28.981 0.306 18701 2878 1 4 . 1 1 55 55 GLU H H 55 7.592 7.592 8.391 -0.799 18701 2879 1 4 . 1 1 56 56 GLU N N 56 118.908 118.908 117.905 1.003 18701 2880 1 4 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.062 -0.215 18701 2881 1 4 . 1 1 56 56 GLU C C 56 179.272 179.272 178.593 0.679 18701 2882 1 4 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.340 0.494 18701 2883 1 4 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.432 -0.797 18701 2884 1 4 . 1 1 56 56 GLU H H 56 8.002 8.002 7.706 0.296 18701 2885 1 4 . 1 1 57 57 MET N N 57 117.937 117.937 118.118 -0.181 18701 2886 1 4 . 1 1 57 57 MET HA H 57 3.799 3.799 4.273 -0.474 18701 2887 1 4 . 1 1 57 57 MET C C 57 177.514 177.514 177.748 -0.234 18701 2888 1 4 . 1 1 57 57 MET CA C 57 57.044 57.044 58.260 -1.216 18701 2889 1 4 . 1 1 57 57 MET CB C 57 30.263 30.263 33.141 -2.878 18701 2890 1 4 . 1 1 57 57 MET H H 57 7.838 7.838 7.538 0.300 18701 2891 1 4 . 1 1 58 58 LYS N N 58 119.343 119.343 119.563 -0.220 18701 2892 1 4 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.846 -0.227 18701 2893 1 4 . 1 1 58 58 LYS C C 58 178.339 178.339 178.517 -0.178 18701 2894 1 4 . 1 1 58 58 LYS CA C 58 60.218 60.218 58.680 1.538 18701 2895 1 4 . 1 1 58 58 LYS CB C 58 32.787 32.787 31.396 1.391 18701 2896 1 4 . 1 1 58 58 LYS H H 58 8.341 8.341 8.458 -0.117 18701 2897 1 4 . 1 1 59 59 LYS N N 59 114.611 114.611 117.411 -2.800 18701 2898 1 4 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.174 -0.280 18701 2899 1 4 . 1 1 59 59 LYS C C 59 178.404 178.404 177.951 0.453 18701 2900 1 4 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.268 0.648 18701 2901 1 4 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.969 0.818 18701 2902 1 4 . 1 1 59 59 LYS H H 59 7.126 7.126 7.264 -0.138 18701 2903 1 4 . 1 1 60 60 LEU N N 60 117.334 117.334 119.126 -1.792 18701 2904 1 4 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.366 -0.232 18701 2905 1 4 . 1 1 60 60 LEU C C 60 179.619 179.619 177.689 1.930 18701 2906 1 4 . 1 1 60 60 LEU CA C 60 56.718 56.718 55.187 1.531 18701 2907 1 4 . 1 1 60 60 LEU CB C 60 43.124 43.124 41.907 1.217 18701 2908 1 4 . 1 1 60 60 LEU H H 60 7.343 7.343 7.747 -0.404 18701 2909 1 4 . 1 1 61 61 VAL N N 61 108.515 108.515 118.113 -9.598 18701 2910 1 4 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.707 0.737 18701 2911 1 4 . 1 1 61 61 VAL C C 61 177.753 177.753 177.437 0.316 18701 2912 1 4 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.421 -4.308 18701 2913 1 4 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.432 0.541 18701 2914 1 4 . 1 1 61 61 VAL H H 61 7.730 7.730 7.249 0.481 18701 2915 1 4 . 1 1 62 62 GLU N N 62 123.907 123.907 119.467 4.440 18701 2916 1 4 . 1 1 62 62 GLU HA H 62 4.026 4.026 3.970 0.056 18701 2917 1 4 . 1 1 62 62 GLU C C 62 176.602 176.602 177.108 -0.506 18701 2918 1 4 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.615 0.626 18701 2919 1 4 . 1 1 62 62 GLU CB C 62 29.205 29.205 28.561 0.644 18701 2920 1 4 . 1 1 62 62 GLU H H 62 7.583 7.583 8.213 -0.630 18701 2921 1 4 . 1 1 63 63 ASP N N 63 118.203 118.203 119.309 -1.106 18701 2922 1 4 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.414 -0.040 18701 2923 1 4 . 1 1 63 63 ASP C C 63 177.557 177.557 177.766 -0.209 18701 2924 1 4 . 1 1 63 63 ASP CA C 63 54.927 54.927 55.867 -0.940 18701 2925 1 4 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.137 -1.106 18701 2926 1 4 . 1 1 63 63 ASP H H 63 8.584 8.584 7.811 0.773 18701 2927 1 4 . 1 1 64 64 GLY N N 64 107.534 107.534 109.154 -1.620 18701 2928 1 4 . 1 1 64 64 GLY C C 64 173.281 173.281 174.601 -1.320 18701 2929 1 4 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.847 0.470 18701 2930 1 4 . 1 1 64 64 GLY H H 64 8.036 8.036 8.703 -0.667 18701 2931 1 4 . 1 1 65 65 LYS N N 65 115.632 115.632 125.662 -10.030 18701 2932 1 4 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.290 -0.084 18701 2933 1 4 . 1 1 65 65 LYS C C 65 176.233 176.233 174.858 1.375 18701 2934 1 4 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.854 0.619 18701 2935 1 4 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.545 2.506 18701 2936 1 4 . 1 1 65 65 LYS H H 65 8.197 8.197 7.944 0.253 18701 2937 1 4 . 1 1 66 66 GLU N N 66 118.786 118.786 120.477 -1.691 18701 2938 1 4 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.419 -0.165 18701 2939 1 4 . 1 1 66 66 GLU C C 66 174.063 174.063 174.878 -0.815 18701 2940 1 4 . 1 1 66 66 GLU CA C 66 55.823 55.823 54.976 0.847 18701 2941 1 4 . 1 1 66 66 GLU CB C 66 33.031 33.031 32.620 0.411 18701 2942 1 4 . 1 1 66 66 GLU H H 66 7.775 7.775 8.017 -0.242 18701 2943 1 4 . 1 1 67 67 CYS N N 67 114.372 114.372 117.812 -3.440 18701 2944 1 4 . 1 1 67 67 CYS HA H 67 4.206 4.206 5.343 -1.137 18701 2945 1 4 . 1 1 67 67 CYS C C 67 175.517 175.517 173.255 2.262 18701 2946 1 4 . 1 1 67 67 CYS CA C 67 56.431 56.431 56.637 -0.206 18701 2947 1 4 . 1 1 67 67 CYS CB C 67 29.465 29.465 29.979 -0.514 18701 2948 1 4 . 1 1 67 67 CYS H H 67 7.586 7.586 8.493 -0.907 18701 2949 1 4 . 1 1 68 68 ARG N N 68 117.544 117.544 120.985 -3.441 18701 2950 1 4 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.879 -0.473 18701 2951 1 4 . 1 1 68 68 ARG C C 68 176.624 176.624 173.640 2.984 18701 2952 1 4 . 1 1 68 68 ARG CA C 68 55.334 55.334 55.587 -0.254 18701 2953 1 4 . 1 1 68 68 ARG CB C 68 32.376 32.376 32.546 -0.170 18701 2954 1 4 . 1 1 68 68 ARG H H 68 7.682 7.682 8.845 -1.163 18701 2955 1 4 . 1 1 69 69 TYR N N 69 115.996 115.996 121.947 -5.951 18701 2956 1 4 . 1 1 69 69 TYR HA H 69 5.819 5.819 5.313 0.506 18701 2957 1 4 . 1 1 69 69 TYR C C 69 175.300 175.300 175.258 0.042 18701 2958 1 4 . 1 1 69 69 TYR CA C 69 54.379 54.379 57.914 -3.535 18701 2959 1 4 . 1 1 69 69 TYR CB C 69 41.998 41.998 40.730 1.268 18701 2960 1 4 . 1 1 69 69 TYR H H 69 8.139 8.139 9.260 -1.121 18701 2961 1 4 . 1 1 70 70 ALA N N 70 121.451 121.451 124.926 -3.475 18701 2962 1 4 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.222 0.514 18701 2963 1 4 . 1 1 70 70 ALA C C 70 174.367 174.367 175.141 -0.774 18701 2964 1 4 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.330 2.128 18701 2965 1 4 . 1 1 70 70 ALA CB C 70 24.158 24.158 21.994 2.164 18701 2966 1 4 . 1 1 70 70 ALA H H 70 9.334 9.334 9.247 0.087 18701 2967 1 4 . 1 1 71 71 ALA N N 71 121.815 121.815 128.834 -7.019 18701 2968 1 4 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.933 -0.065 18701 2969 1 4 . 1 1 71 71 ALA C C 71 175.495 175.495 175.508 -0.013 18701 2970 1 4 . 1 1 71 71 ALA CA C 71 51.091 51.091 49.998 1.093 18701 2971 1 4 . 1 1 71 71 ALA CB C 71 21.554 21.554 21.629 -0.075 18701 2972 1 4 . 1 1 71 71 ALA H H 71 9.059 9.059 8.975 0.084 18701 2973 1 4 . 1 1 72 72 VAL N N 72 120.963 120.963 124.557 -3.594 18701 2974 1 4 . 1 1 72 72 VAL HA H 72 4.505 4.505 5.138 -0.633 18701 2975 1 4 . 1 1 72 72 VAL C C 72 173.194 173.194 173.474 -0.280 18701 2976 1 4 . 1 1 72 72 VAL CA C 72 61.276 61.276 59.463 1.813 18701 2977 1 4 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.490 -0.424 18701 2978 1 4 . 1 1 72 72 VAL H H 72 8.665 8.665 8.545 0.120 18701 2979 1 4 . 1 1 73 73 ASP N N 73 128.360 128.360 129.479 -1.119 18701 2980 1 4 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.198 -0.227 18701 2981 1 4 . 1 1 73 73 ASP C C 73 175.256 175.256 174.228 1.028 18701 2982 1 4 . 1 1 73 73 ASP CA C 73 53.891 53.891 52.950 0.941 18701 2983 1 4 . 1 1 73 73 ASP CB C 73 41.659 41.659 42.994 -1.335 18701 2984 1 4 . 1 1 73 73 ASP H H 73 8.896 8.896 8.934 -0.038 18701 2985 1 4 . 1 1 74 74 VAL N N 74 127.568 127.568 122.835 4.733 18701 2986 1 4 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.566 -0.372 18701 2987 1 4 . 1 1 74 74 VAL C C 74 173.846 173.846 173.698 0.148 18701 2988 1 4 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.797 2.049 18701 2989 1 4 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.429 -1.747 18701 2990 1 4 . 1 1 74 74 VAL H H 74 9.232 9.232 7.954 1.278 18701 2991 1 4 . 1 1 75 75 GLU N N 75 126.833 126.833 128.775 -1.942 18701 2992 1 4 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.611 0.228 18701 2993 1 4 . 1 1 75 75 GLU C C 75 175.799 175.799 175.141 0.658 18701 2994 1 4 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.494 1.084 18701 2995 1 4 . 1 1 75 75 GLU CB C 75 31.647 31.647 28.463 3.183 18701 2996 1 4 . 1 1 75 75 GLU H H 75 8.560 8.560 8.689 -0.129 18701 2997 1 4 . 1 1 76 76 VAL N N 76 123.421 123.421 126.787 -3.366 18701 2998 1 4 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.251 0.181 18701 2999 1 4 . 1 1 76 76 VAL C C 76 174.562 174.562 175.223 -0.661 18701 3000 1 4 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.028 -0.566 18701 3001 1 4 . 1 1 76 76 VAL CB C 76 34.822 34.822 33.006 1.816 18701 3002 1 4 . 1 1 76 76 VAL H H 76 9.032 9.032 8.017 1.015 18701 3003 1 4 . 1 1 77 77 THR N N 77 120.606 120.606 122.507 -1.901 18701 3004 1 4 . 1 1 77 77 THR HA H 77 4.876 4.876 4.449 0.427 18701 3005 1 4 . 1 1 77 77 THR C C 77 173.998 173.998 173.847 0.151 18701 3006 1 4 . 1 1 77 77 THR CA C 77 62.172 62.172 62.271 -0.099 18701 3007 1 4 . 1 1 77 77 THR CB C 77 70.067 70.067 68.735 1.332 18701 3008 1 4 . 1 1 77 77 THR H H 77 8.402 8.402 8.537 -0.135 18701 3009 1 4 . 1 1 78 78 VAL N N 78 122.942 122.942 126.706 -3.764 18701 3010 1 4 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.479 -0.095 18701 3011 1 4 . 1 1 78 78 VAL C C 78 174.605 174.605 174.109 0.496 18701 3012 1 4 . 1 1 78 78 VAL CA C 78 60.218 60.218 60.321 -0.103 18701 3013 1 4 . 1 1 78 78 VAL CB C 78 34.740 34.740 36.293 -1.553 18701 3014 1 4 . 1 1 78 78 VAL H H 78 8.781 8.781 8.985 -0.204 18701 3015 1 4 . 1 1 79 79 GLN N N 79 123.562 123.562 123.603 -0.041 18701 3016 1 4 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.336 0.044 18701 3017 1 4 . 1 1 79 79 GLN C C 79 175.647 175.647 174.832 0.815 18701 3018 1 4 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.757 -0.179 18701 3019 1 4 . 1 1 79 79 GLN CB C 79 29.531 29.531 28.916 0.615 18701 3020 1 4 . 1 1 79 79 GLN H H 79 8.527 8.527 8.545 -0.018 18701 3021 1 4 . 1 1 80 80 ARG N N 80 125.030 125.030 124.597 0.433 18701 3022 1 4 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.709 -0.432 18701 3023 1 4 . 1 1 80 80 ARG C C 80 175.864 175.864 175.040 0.824 18701 3024 1 4 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.359 2.545 18701 3025 1 4 . 1 1 80 80 ARG CB C 80 31.322 31.322 33.045 -1.723 18701 3026 1 4 . 1 1 80 80 ARG H H 80 8.516 8.516 8.095 0.421 18701 3027 1 4 . 1 1 81 81 GLN N N 81 122.473 122.473 121.149 1.324 18701 3028 1 4 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.130 0.075 18701 3029 1 4 . 1 1 81 81 GLN C C 81 176.776 176.776 176.568 0.208 18701 3030 1 4 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.991 -1.366 18701 3031 1 4 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.224 0.656 18701 3032 1 4 . 1 1 81 81 GLN H H 81 8.609 8.609 8.868 -0.259 18701 3033 1 4 . 1 1 82 82 GLY N N 82 112.685 112.685 111.559 1.126 18701 3034 1 4 . 1 1 82 82 GLY C C 82 173.498 173.498 173.148 0.350 18701 3035 1 4 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.814 0.915 18701 3036 1 4 . 1 1 82 82 GLY H H 82 8.766 8.766 8.829 -0.063 18701 3037 1 4 . 1 1 83 83 ALA N N 83 123.093 123.093 124.899 -1.806 18701 3038 1 4 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.754 -0.345 18701 3039 1 4 . 1 1 83 83 ALA C C 83 176.971 176.971 176.179 0.792 18701 3040 1 4 . 1 1 83 83 ALA CA C 83 52.165 52.165 52.117 0.048 18701 3041 1 4 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.609 -0.358 18701 3042 1 4 . 1 1 83 83 ALA H H 83 7.965 7.965 7.822 0.143 18701 3043 1 4 . 1 1 84 84 GLU N N 84 118.929 118.929 122.033 -3.104 18701 3044 1 4 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.146 0.108 18701 3045 1 4 . 1 1 84 84 GLU C C 84 176.928 176.928 176.114 0.814 18701 3046 1 4 . 1 1 84 84 GLU CA C 84 57.044 57.044 57.308 -0.264 18701 3047 1 4 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.538 0.888 18701 3048 1 4 . 1 1 84 84 GLU H H 84 8.390 8.390 8.760 -0.370 18701 3049 1 4 . 1 1 85 85 GLY N N 85 109.042 109.042 110.226 -1.184 18701 3050 1 4 . 1 1 85 85 GLY C C 85 173.607 173.607 173.547 0.060 18701 3051 1 4 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.329 -0.332 18701 3052 1 4 . 1 1 85 85 GLY H H 85 8.220 8.220 8.167 0.053 18701 3053 1 4 . 1 1 86 86 THR N N 86 112.014 112.014 113.578 -1.564 18701 3054 1 4 . 1 1 86 86 THR HA H 86 4.792 4.792 4.539 0.253 18701 3055 1 4 . 1 1 86 86 THR C C 86 174.280 174.280 173.288 0.992 18701 3056 1 4 . 1 1 86 86 THR CA C 86 61.113 61.113 61.260 -0.147 18701 3057 1 4 . 1 1 86 86 THR CB C 86 71.532 71.532 70.137 1.395 18701 3058 1 4 . 1 1 86 86 THR H H 86 8.172 8.172 7.751 0.421 18701 3059 1 4 . 1 1 87 87 SER N N 87 117.161 117.161 121.981 -4.820 18701 3060 1 4 . 1 1 87 87 SER HA H 87 4.744 4.744 4.712 0.032 18701 3061 1 4 . 1 1 87 87 SER C C 87 172.956 172.956 173.557 -0.601 18701 3062 1 4 . 1 1 87 87 SER CA C 87 57.532 57.532 56.689 0.843 18701 3063 1 4 . 1 1 87 87 SER CB C 87 65.428 65.428 64.219 1.209 18701 3064 1 4 . 1 1 87 87 SER H H 87 8.782 8.782 8.566 0.216 18701 3065 1 4 . 1 1 88 88 THR N N 88 116.763 116.763 125.442 -8.679 18701 3066 1 4 . 1 1 88 88 THR HA H 88 5.151 5.151 4.692 0.459 18701 3067 1 4 . 1 1 88 88 THR C C 88 173.650 173.650 173.958 -0.308 18701 3068 1 4 . 1 1 88 88 THR CA C 88 61.439 61.439 62.667 -1.228 18701 3069 1 4 . 1 1 88 88 THR CB C 88 71.125 71.125 69.031 2.094 18701 3070 1 4 . 1 1 88 88 THR H H 88 8.404 8.404 8.711 -0.307 18701 3071 1 4 . 1 1 89 89 LEU N N 89 126.308 126.308 130.210 -3.902 18701 3072 1 4 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.587 0.025 18701 3073 1 4 . 1 1 89 89 LEU C C 89 174.171 174.171 175.463 -1.292 18701 3074 1 4 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.759 0.425 18701 3075 1 4 . 1 1 89 89 LEU CB C 89 45.078 45.078 43.786 1.292 18701 3076 1 4 . 1 1 89 89 LEU H H 89 9.039 9.039 8.306 0.732 18701 3077 1 4 . 1 1 90 90 ASN N N 90 120.749 120.749 122.682 -1.933 18701 3078 1 4 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.092 0.549 18701 3079 1 4 . 1 1 90 90 ASN C C 90 174.757 174.757 175.258 -0.501 18701 3080 1 4 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.047 1.335 18701 3081 1 4 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.229 1.535 18701 3082 1 4 . 1 1 90 90 ASN H H 90 8.347 8.347 8.697 -0.350 18701 3083 1 4 . 1 1 91 91 LYS N N 91 123.843 123.843 122.815 1.028 18701 3084 1 4 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.751 -0.055 18701 3085 1 4 . 1 1 91 91 LYS C C 91 173.629 173.629 175.203 -1.574 18701 3086 1 4 . 1 1 91 91 LYS CA C 91 54.314 54.314 53.977 0.337 18701 3087 1 4 . 1 1 91 91 LYS CB C 91 36.531 36.531 34.929 1.602 18701 3088 1 4 . 1 1 91 91 LYS H H 91 9.087 9.087 8.718 0.369 18701 3089 1 4 . 1 1 92 92 VAL N N 92 123.150 123.150 126.981 -3.831 18701 3090 1 4 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.399 0.704 18701 3091 1 4 . 1 1 92 92 VAL C C 92 175.517 175.517 175.067 0.450 18701 3092 1 4 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.618 0.065 18701 3093 1 4 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.407 -0.434 18701 3094 1 4 . 1 1 92 92 VAL H H 92 8.479 8.479 8.889 -0.410 18701 3095 1 4 . 1 1 93 93 ILE N N 93 120.433 120.433 129.406 -8.973 18701 3096 1 4 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.612 0.742 18701 3097 1 4 . 1 1 93 93 ILE C C 93 174.215 174.215 173.734 0.481 18701 3098 1 4 . 1 1 93 93 ILE CA C 93 59.262 59.262 60.153 -0.891 18701 3099 1 4 . 1 1 93 93 ILE CB C 93 41.008 41.008 40.820 0.188 18701 3100 1 4 . 1 1 93 93 ILE H H 93 9.155 9.155 8.894 0.261 18701 3101 1 4 . 1 1 94 94 PHE N N 94 122.349 122.349 129.415 -7.066 18701 3102 1 4 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.304 0.277 18701 3103 1 4 . 1 1 94 94 PHE C C 94 173.042 173.042 173.936 -0.894 18701 3104 1 4 . 1 1 94 94 PHE CA C 94 56.397 56.397 54.920 1.477 18701 3105 1 4 . 1 1 94 94 PHE CB C 94 42.392 42.392 40.442 1.950 18701 3106 1 4 . 1 1 94 94 PHE H H 94 9.002 9.002 9.326 -0.324 18701 3107 1 4 . 1 1 95 95 VAL N N 95 126.937 126.937 127.989 -1.052 18701 3108 1 4 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.959 -0.253 18701 3109 1 4 . 1 1 95 95 VAL C C 95 174.128 174.128 175.144 -1.016 18701 3110 1 4 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.306 0.202 18701 3111 1 4 . 1 1 95 95 VAL CB C 95 35.554 35.554 33.276 2.278 18701 3112 1 4 . 1 1 95 95 VAL H H 95 8.978 8.978 9.372 -0.394 18701 3113 1 4 . 1 1 96 96 GLN N N 96 124.946 124.946 127.470 -2.524 18701 3114 1 4 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.266 0.467 18701 3115 1 4 . 1 1 96 96 GLN C C 96 172.912 172.912 174.295 -1.383 18701 3116 1 4 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.556 0.865 18701 3117 1 4 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.190 2.213 18701 3118 1 4 . 1 1 96 96 GLN H H 96 8.516 8.516 9.120 -0.604 18701 3119 1 4 . 1 1 97 97 TYR N N 97 129.236 129.236 129.047 0.189 18701 3120 1 4 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.567 -0.548 18701 3121 1 4 . 1 1 97 97 TYR C C 97 174.844 174.844 173.869 0.975 18701 3122 1 4 . 1 1 97 97 TYR CA C 97 57.244 57.244 56.382 0.862 18701 3123 1 4 . 1 1 97 97 TYR CB C 97 41.252 41.252 40.874 0.378 18701 3124 1 4 . 1 1 97 97 TYR H H 97 9.030 9.030 8.958 0.072 18701 3125 1 4 . 1 1 98 98 CYS N N 98 127.084 127.084 123.792 3.292 18701 3126 1 4 . 1 1 98 98 CYS HA H 98 4.732 4.732 5.136 -0.404 18701 3127 1 4 . 1 1 98 98 CYS CA C 98 54.602 54.602 55.359 -0.757 18701 3128 1 4 . 1 1 98 98 CYS CB C 98 29.042 29.042 29.699 -0.657 18701 3129 1 4 . 1 1 98 98 CYS H H 98 8.227 8.227 8.018 0.209 18701 3130 1 4 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.334 0.409 18701 3131 1 4 . 1 1 99 99 PRO C C 99 177.492 177.492 176.900 0.592 18701 3132 1 4 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.469 0.110 18701 3133 1 4 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.606 -0.145 18701 3134 1 4 . 1 1 100 100 ASP N N 100 120.420 120.420 118.819 1.601 18701 3135 1 4 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.411 -0.193 18701 3136 1 4 . 1 1 100 100 ASP C C 100 176.993 176.993 176.455 0.538 18701 3137 1 4 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.359 1.010 18701 3138 1 4 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.714 -0.032 18701 3139 1 4 . 1 1 100 100 ASP H H 100 8.584 8.584 8.647 -0.063 18701 3140 1 4 . 1 1 101 101 ASN N N 101 112.580 112.580 116.037 -3.457 18701 3141 1 4 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.652 0.139 18701 3142 1 4 . 1 1 101 101 ASN C C 101 175.256 175.256 174.280 0.976 18701 3143 1 4 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.997 -0.213 18701 3144 1 4 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.091 -0.013 18701 3145 1 4 . 1 1 101 101 ASN H H 101 8.055 8.055 7.945 0.110 18701 3146 1 4 . 1 1 102 102 ALA N N 102 123.140 123.140 124.557 -1.417 18701 3147 1 4 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.332 0.209 18701 3148 1 4 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.440 1.107 18701 3149 1 4 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.517 -1.115 18701 3150 1 4 . 1 1 102 102 ALA H H 102 7.207 7.207 7.218 -0.011 18701 3151 1 4 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.304 0.128 18701 3152 1 4 . 1 1 103 103 PRO C C 103 178.208 178.208 177.418 0.790 18701 3153 1 4 . 1 1 103 103 PRO CA C 103 63.148 63.148 63.151 -0.003 18701 3154 1 4 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.207 0.173 18701 3155 1 4 . 1 1 104 104 VAL N N 104 125.953 125.953 125.299 0.654 18701 3156 1 4 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.607 -0.011 18701 3157 1 4 . 1 1 104 104 VAL C C 104 177.210 177.210 178.448 -1.238 18701 3158 1 4 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.931 -0.038 18701 3159 1 4 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.685 0.288 18701 3160 1 4 . 1 1 104 104 VAL H H 104 8.747 8.747 8.627 0.120 18701 3161 1 4 . 1 1 105 105 ARG N N 105 118.556 118.556 118.975 -0.419 18701 3162 1 4 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.171 -0.086 18701 3163 1 4 . 1 1 105 105 ARG C C 105 179.185 179.185 178.704 0.481 18701 3164 1 4 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.110 0.538 18701 3165 1 4 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.339 0.355 18701 3166 1 4 . 1 1 105 105 ARG H H 105 8.866 8.866 8.526 0.340 18701 3167 1 4 . 1 1 106 106 ARG N N 106 118.188 118.188 120.220 -2.032 18701 3168 1 4 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.088 0.130 18701 3169 1 4 . 1 1 106 106 ARG C C 106 177.991 177.991 178.392 -0.401 18701 3170 1 4 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.485 -0.906 18701 3171 1 4 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.054 0.047 18701 3172 1 4 . 1 1 106 106 ARG H H 106 7.140 7.140 7.790 -0.650 18701 3173 1 4 . 1 1 107 107 ARG N N 107 119.484 119.484 117.789 1.695 18701 3174 1 4 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.327 -0.312 18701 3175 1 4 . 1 1 107 107 ARG C C 107 179.424 179.424 178.774 0.650 18701 3176 1 4 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.166 2.459 18701 3177 1 4 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.203 1.060 18701 3178 1 4 . 1 1 107 107 ARG H H 107 8.246 8.246 8.146 0.100 18701 3179 1 4 . 1 1 108 108 MET N N 108 117.193 117.193 121.793 -4.600 18701 3180 1 4 . 1 1 108 108 MET HA H 108 4.218 4.218 4.251 -0.033 18701 3181 1 4 . 1 1 108 108 MET C C 108 178.968 178.968 177.845 1.123 18701 3182 1 4 . 1 1 108 108 MET CA C 108 58.671 58.671 58.068 0.603 18701 3183 1 4 . 1 1 108 108 MET CB C 108 32.380 32.380 32.120 0.260 18701 3184 1 4 . 1 1 108 108 MET H H 108 8.599 8.599 8.368 0.231 18701 3185 1 4 . 1 1 109 109 LEU N N 109 123.421 123.421 119.358 4.063 18701 3186 1 4 . 1 1 109 109 LEU HA H 109 4.194 4.194 4.004 0.190 18701 3187 1 4 . 1 1 109 109 LEU C C 109 180.444 180.444 179.189 1.255 18701 3188 1 4 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.698 0.485 18701 3189 1 4 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.386 1.006 18701 3190 1 4 . 1 1 109 109 LEU H H 109 7.924 7.924 7.928 -0.004 18701 3191 1 4 . 1 1 110 110 TYR N N 110 120.798 120.798 120.924 -0.126 18701 3192 1 4 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.279 -0.086 18701 3193 1 4 . 1 1 110 110 TYR C C 110 180.574 180.574 178.107 2.467 18701 3194 1 4 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.408 0.194 18701 3195 1 4 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.469 -0.636 18701 3196 1 4 . 1 1 110 110 TYR H H 110 8.761 8.761 8.583 0.178 18701 3197 1 4 . 1 1 111 111 ALA N N 111 123.703 123.703 119.987 3.716 18701 3198 1 4 . 1 1 111 111 ALA HA H 111 4.362 4.362 4.011 0.351 18701 3199 1 4 . 1 1 111 111 ALA C C 111 180.314 180.314 179.810 0.504 18701 3200 1 4 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.861 0.799 18701 3201 1 4 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.162 0.299 18701 3202 1 4 . 1 1 111 111 ALA H H 111 8.668 8.668 8.656 0.012 18701 3203 1 4 . 1 1 112 112 SER N N 112 112.404 112.404 114.265 -1.861 18701 3204 1 4 . 1 1 112 112 SER HA H 112 4.360 4.360 4.271 0.089 18701 3205 1 4 . 1 1 112 112 SER C C 112 176.949 176.949 175.916 1.033 18701 3206 1 4 . 1 1 112 112 SER CA C 112 60.869 60.869 61.626 -0.757 18701 3207 1 4 . 1 1 112 112 SER CB C 112 63.474 63.474 63.375 0.099 18701 3208 1 4 . 1 1 112 112 SER H H 112 8.532 8.532 7.895 0.637 18701 3209 1 4 . 1 1 113 113 SER N N 113 115.828 115.828 115.649 0.179 18701 3210 1 4 . 1 1 113 113 SER HA H 113 4.552 4.552 4.488 0.064 18701 3211 1 4 . 1 1 113 113 SER C C 113 173.390 173.390 175.287 -1.897 18701 3212 1 4 . 1 1 113 113 SER CA C 113 60.218 60.218 59.287 0.931 18701 3213 1 4 . 1 1 113 113 SER CB C 113 63.393 63.393 62.341 1.052 18701 3214 1 4 . 1 1 113 113 SER H H 113 7.607 7.607 7.624 -0.017 18701 3215 1 4 . 1 1 114 114 VAL N N 114 119.484 119.484 123.669 -4.185 18701 3216 1 4 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.650 -0.293 18701 3217 1 4 . 1 1 114 114 VAL C C 114 176.016 176.016 177.797 -1.781 18701 3218 1 4 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.221 -1.607 18701 3219 1 4 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.166 0.725 18701 3220 1 4 . 1 1 114 114 VAL H H 114 6.999 6.999 7.359 -0.360 18701 3221 1 4 . 1 1 115 115 ARG N N 115 121.686 121.686 117.734 3.952 18701 3222 1 4 . 1 1 115 115 ARG HA H 115 3.700 3.700 4.072 -0.372 18701 3223 1 4 . 1 1 115 115 ARG C C 115 178.360 178.360 178.068 0.292 18701 3224 1 4 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.517 1.375 18701 3225 1 4 . 1 1 115 115 ARG CB C 115 29.205 29.205 28.724 0.480 18701 3226 1 4 . 1 1 115 115 ARG H H 115 7.740 7.740 7.867 -0.127 18701 3227 1 4 . 1 1 116 116 ALA N N 116 121.346 121.346 122.803 -1.457 18701 3228 1 4 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.189 -0.149 18701 3229 1 4 . 1 1 116 116 ALA C C 116 180.335 180.335 179.402 0.933 18701 3230 1 4 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.468 0.296 18701 3231 1 4 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.853 -0.962 18701 3232 1 4 . 1 1 116 116 ALA H H 116 7.737 7.737 7.228 0.509 18701 3233 1 4 . 1 1 117 117 LEU N N 117 119.203 119.203 117.126 2.077 18701 3234 1 4 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.970 -0.315 18701 3235 1 4 . 1 1 117 117 LEU C C 117 177.449 177.449 178.861 -1.412 18701 3236 1 4 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.649 0.208 18701 3237 1 4 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.627 0.952 18701 3238 1 4 . 1 1 117 117 LEU H H 117 6.785 6.785 8.120 -1.335 18701 3239 1 4 . 1 1 118 118 LYS N N 118 114.804 114.804 119.682 -4.878 18701 3240 1 4 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.717 0.645 18701 3241 1 4 . 1 1 118 118 LYS C C 118 178.686 178.686 178.216 0.470 18701 3242 1 4 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.859 0.115 18701 3243 1 4 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.067 0.394 18701 3244 1 4 . 1 1 118 118 LYS H H 118 8.132 8.132 7.707 0.425 18701 3245 1 4 . 1 1 119 119 ALA N N 119 119.833 119.833 120.102 -0.269 18701 3246 1 4 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.255 -0.098 18701 3247 1 4 . 1 1 119 119 ALA C C 119 180.183 180.183 180.384 -0.201 18701 3248 1 4 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.643 -0.204 18701 3249 1 4 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.218 0.161 18701 3250 1 4 . 1 1 119 119 ALA H H 119 8.068 8.068 7.575 0.493 18701 3251 1 4 . 1 1 120 120 SER N N 120 112.312 112.312 115.802 -3.490 18701 3252 1 4 . 1 1 120 120 SER HA H 120 4.073 4.073 4.144 -0.071 18701 3253 1 4 . 1 1 120 120 SER C C 120 175.799 175.799 175.632 0.167 18701 3254 1 4 . 1 1 120 120 SER CA C 120 61.602 61.602 61.573 0.029 18701 3255 1 4 . 1 1 120 120 SER CB C 120 63.555 63.555 63.277 0.278 18701 3256 1 4 . 1 1 120 120 SER H H 120 7.713 7.713 8.107 -0.394 18701 3257 1 4 . 1 1 121 121 LEU N N 121 116.812 116.812 118.859 -2.047 18701 3258 1 4 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.103 -0.018 18701 3259 1 4 . 1 1 121 121 LEU C C 121 176.125 176.125 176.210 -0.085 18701 3260 1 4 . 1 1 121 121 LEU CA C 121 55.904 55.904 54.055 1.849 18701 3261 1 4 . 1 1 121 121 LEU CB C 121 41.252 41.252 41.680 -0.428 18701 3262 1 4 . 1 1 121 121 LEU H H 121 7.272 7.272 7.215 0.057 18701 3263 1 4 . 1 1 122 122 GLY N N 122 108.734 108.734 105.878 2.856 18701 3264 1 4 . 1 1 122 122 GLY C C 122 176.754 176.754 174.539 2.215 18701 3265 1 4 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.404 1.872 18701 3266 1 4 . 1 1 122 122 GLY H H 122 7.377 7.377 7.383 -0.006 18701 3267 1 4 . 1 1 123 123 LEU N N 123 116.950 116.950 118.415 -1.465 18701 3268 1 4 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.405 -0.260 18701 3269 1 4 . 1 1 123 123 LEU C C 123 178.187 178.187 177.195 0.992 18701 3270 1 4 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.390 0.560 18701 3271 1 4 . 1 1 123 123 LEU CB C 123 41.903 41.903 40.971 0.932 18701 3272 1 4 . 1 1 123 123 LEU H H 123 8.201 8.201 7.901 0.300 18701 3273 1 4 . 1 1 124 124 GLU N N 124 120.328 120.328 121.288 -0.960 18701 3274 1 4 . 1 1 124 124 GLU HA H 124 3.704 3.704 3.960 -0.256 18701 3275 1 4 . 1 1 124 124 GLU C C 124 176.970 176.970 176.896 0.074 18701 3276 1 4 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.144 1.319 18701 3277 1 4 . 1 1 124 124 GLU CB C 124 29.205 29.205 29.491 -0.287 18701 3278 1 4 . 1 1 124 124 GLU H H 124 9.213 9.213 8.398 0.815 18701 3279 1 4 . 1 1 125 125 SER N N 125 110.938 110.938 113.214 -2.276 18701 3280 1 4 . 1 1 125 125 SER HA H 125 4.456 4.456 4.387 0.069 18701 3281 1 4 . 1 1 125 125 SER C C 125 174.475 174.475 173.945 0.530 18701 3282 1 4 . 1 1 125 125 SER CA C 125 58.590 58.590 58.733 -0.143 18701 3283 1 4 . 1 1 125 125 SER CB C 125 63.555 63.555 63.015 0.540 18701 3284 1 4 . 1 1 125 125 SER H H 125 8.308 8.308 8.389 -0.081 18701 3285 1 4 . 1 1 126 126 LEU N N 126 121.193 121.193 120.413 0.780 18701 3286 1 4 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.230 0.239 18701 3287 1 4 . 1 1 126 126 LEU C C 126 177.774 177.774 175.830 1.944 18701 3288 1 4 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.161 1.766 18701 3289 1 4 . 1 1 126 126 LEU CB C 126 42.066 42.066 43.521 -1.455 18701 3290 1 4 . 1 1 126 126 LEU H H 126 7.178 7.178 7.076 0.102 18701 3291 1 4 . 1 1 127 127 PHE N N 127 125.109 125.109 118.715 6.394 18701 3292 1 4 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.639 -0.291 18701 3293 1 4 . 1 1 127 127 PHE C C 127 173.542 173.542 175.209 -1.667 18701 3294 1 4 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.843 1.973 18701 3295 1 4 . 1 1 127 127 PHE CB C 127 39.950 39.950 39.967 -0.017 18701 3296 1 4 . 1 1 127 127 PHE H H 127 9.050 9.050 8.574 0.476 18701 3297 1 4 . 1 1 128 128 GLN N N 128 125.953 125.953 123.377 2.576 18701 3298 1 4 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.822 -0.312 18701 3299 1 4 . 1 1 128 128 GLN C C 128 174.736 174.736 174.641 0.095 18701 3300 1 4 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.258 -0.725 18701 3301 1 4 . 1 1 128 128 GLN CB C 128 31.973 31.973 31.630 0.343 18701 3302 1 4 . 1 1 128 128 GLN H H 128 7.618 7.618 8.744 -1.126 18701 3303 1 4 . 1 1 129 129 VAL N N 129 123.703 123.703 126.264 -2.561 18701 3304 1 4 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.452 -0.377 18701 3305 1 4 . 1 1 129 129 VAL C C 129 174.736 174.736 174.381 0.355 18701 3306 1 4 . 1 1 129 129 VAL CA C 129 61.439 61.439 59.913 1.526 18701 3307 1 4 . 1 1 129 129 VAL CB C 129 34.984 34.984 35.486 -0.502 18701 3308 1 4 . 1 1 129 129 VAL H H 129 8.948 8.948 9.027 -0.078 18701 3309 1 4 . 1 1 130 130 GLN N N 130 129.187 129.187 123.230 5.957 18701 3310 1 4 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.963 -0.232 18701 3311 1 4 . 1 1 130 130 GLN C C 130 173.780 173.780 174.273 -0.493 18701 3312 1 4 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.000 1.009 18701 3313 1 4 . 1 1 130 130 GLN CB C 130 28.391 28.391 29.709 -1.318 18701 3314 1 4 . 1 1 130 130 GLN H H 130 8.988 8.988 8.475 0.513 18701 3315 1 4 . 1 1 131 131 ALA N N 131 127.359 127.359 128.152 -0.793 18701 3316 1 4 . 1 1 131 131 ALA HA H 131 4.816 4.816 4.956 -0.140 18701 3317 1 4 . 1 1 131 131 ALA C C 131 174.909 174.909 175.874 -0.965 18701 3318 1 4 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.606 0.159 18701 3319 1 4 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.816 0.935 18701 3320 1 4 . 1 1 131 131 ALA H H 131 8.663 8.663 8.972 -0.309 18701 3321 1 4 . 1 1 132 132 SER N N 132 116.281 116.281 117.132 -0.851 18701 3322 1 4 . 1 1 132 132 SER HA H 132 4.085 4.085 4.290 -0.205 18701 3323 1 4 . 1 1 132 132 SER C C 132 172.087 172.087 174.290 -2.203 18701 3324 1 4 . 1 1 132 132 SER CA C 132 57.667 57.667 59.564 -1.897 18701 3325 1 4 . 1 1 132 132 SER CB C 132 65.916 65.916 64.048 1.868 18701 3326 1 4 . 1 1 132 132 SER H H 132 9.369 9.369 9.040 0.329 18701 3327 1 4 . 1 1 133 133 GLU N N 133 119.487 119.487 116.555 2.932 18701 3328 1 4 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.715 0.112 18701 3329 1 4 . 1 1 133 133 GLU C C 133 177.666 177.666 177.602 0.064 18701 3330 1 4 . 1 1 133 133 GLU CA C 133 54.998 54.998 54.875 0.123 18701 3331 1 4 . 1 1 133 133 GLU CB C 133 33.112 33.112 32.025 1.087 18701 3332 1 4 . 1 1 133 133 GLU H H 133 7.739 7.739 7.604 0.135 18701 3333 1 4 . 1 1 134 134 MET N N 134 122.237 122.237 115.871 6.366 18701 3334 1 4 . 1 1 134 134 MET HA H 134 4.529 4.529 4.395 0.134 18701 3335 1 4 . 1 1 134 134 MET C C 134 180.856 180.856 176.454 4.402 18701 3336 1 4 . 1 1 134 134 MET CA C 134 56.593 56.593 58.201 -1.608 18701 3337 1 4 . 1 1 134 134 MET CB C 134 29.042 29.042 32.704 -3.662 18701 3338 1 4 . 1 1 134 134 MET H H 134 9.143 9.143 8.808 0.335 18701 3339 1 4 . 1 1 135 135 SER N N 135 116.214 116.214 113.273 2.941 18701 3340 1 4 . 1 1 135 135 SER HA H 135 4.205 4.205 4.375 -0.170 18701 3341 1 4 . 1 1 135 135 SER C C 135 176.993 176.993 175.741 1.252 18701 3342 1 4 . 1 1 135 135 SER CA C 135 61.216 61.216 60.506 0.710 18701 3343 1 4 . 1 1 135 135 SER CB C 135 62.253 62.253 63.517 -1.264 18701 3344 1 4 . 1 1 135 135 SER H H 135 8.659 8.659 7.864 0.795 18701 3345 1 4 . 1 1 136 136 ASP N N 136 122.296 122.296 122.447 -0.151 18701 3346 1 4 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.641 -0.088 18701 3347 1 4 . 1 1 136 136 ASP C C 136 175.647 175.647 177.320 -1.673 18701 3348 1 4 . 1 1 136 136 ASP CA C 136 56.881 56.881 55.601 1.280 18701 3349 1 4 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.282 0.377 18701 3350 1 4 . 1 1 136 136 ASP H H 136 7.861 7.861 7.760 0.101 18701 3351 1 4 . 1 1 137 137 LEU N N 137 113.859 113.859 114.406 -0.547 18701 3352 1 4 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.585 -0.068 18701 3353 1 4 . 1 1 137 137 LEU C C 137 176.038 176.038 176.346 -0.308 18701 3354 1 4 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.648 -1.430 18701 3355 1 4 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.083 0.739 18701 3356 1 4 . 1 1 137 137 LEU H H 137 7.617 7.617 7.446 0.171 18701 3357 1 4 . 1 1 138 138 ASP N N 138 119.906 119.906 121.032 -1.126 18701 3358 1 4 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.473 -0.148 18701 3359 1 4 . 1 1 138 138 ASP C C 138 175.842 175.842 177.506 -1.664 18701 3360 1 4 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.638 1.347 18701 3361 1 4 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.687 0.600 18701 3362 1 4 . 1 1 138 138 ASP H H 138 7.119 7.119 7.358 -0.239 18701 3363 1 4 . 1 1 139 139 GLU N N 139 128.062 128.062 125.124 2.938 18701 3364 1 4 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.860 -0.551 18701 3365 1 4 . 1 1 139 139 GLU C C 139 177.275 177.275 177.844 -0.569 18701 3366 1 4 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.912 1.387 18701 3367 1 4 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.079 1.429 18701 3368 1 4 . 1 1 139 139 GLU H H 139 8.943 8.943 8.822 0.121 18701 3369 1 4 . 1 1 140 140 LYS N N 140 115.993 115.993 118.477 -2.484 18701 3370 1 4 . 1 1 140 140 LYS HA H 140 3.894 3.894 3.994 -0.100 18701 3371 1 4 . 1 1 140 140 LYS C C 140 179.771 179.771 178.844 0.927 18701 3372 1 4 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.702 0.854 18701 3373 1 4 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.986 -0.013 18701 3374 1 4 . 1 1 140 140 LYS H H 140 8.243 8.243 8.815 -0.572 18701 3375 1 4 . 1 1 141 141 SER N N 141 116.877 116.877 114.877 2.000 18701 3376 1 4 . 1 1 141 141 SER HA H 141 4.184 4.184 4.564 -0.380 18701 3377 1 4 . 1 1 141 141 SER C C 141 175.973 175.973 176.039 -0.066 18701 3378 1 4 . 1 1 141 141 SER CA C 141 61.737 61.737 60.449 1.288 18701 3379 1 4 . 1 1 141 141 SER CB C 141 62.986 62.986 64.557 -1.571 18701 3380 1 4 . 1 1 141 141 SER H H 141 7.856 7.856 7.950 -0.094 18701 3381 1 4 . 1 1 142 142 VAL N N 142 121.874 121.874 122.354 -0.480 18701 3382 1 4 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.585 0.191 18701 3383 1 4 . 1 1 142 142 VAL C C 142 178.165 178.165 177.254 0.911 18701 3384 1 4 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.661 -0.931 18701 3385 1 4 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.463 0.917 18701 3386 1 4 . 1 1 142 142 VAL H H 142 8.476 8.476 7.459 1.017 18701 3387 1 4 . 1 1 143 143 LYS N N 143 116.141 116.141 119.602 -3.461 18701 3388 1 4 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.896 -0.277 18701 3389 1 4 . 1 1 143 143 LYS C C 143 178.512 178.512 178.919 -0.407 18701 3390 1 4 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.598 1.678 18701 3391 1 4 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.958 0.178 18701 3392 1 4 . 1 1 143 143 LYS H H 143 8.157 8.157 7.636 0.521 18701 3393 1 4 . 1 1 144 144 SER N N 144 113.862 113.862 114.883 -1.021 18701 3394 1 4 . 1 1 144 144 SER HA H 144 4.158 4.158 4.168 -0.010 18701 3395 1 4 . 1 1 144 144 SER C C 144 177.340 177.340 176.354 0.986 18701 3396 1 4 . 1 1 144 144 SER CA C 144 61.769 61.769 61.612 0.157 18701 3397 1 4 . 1 1 144 144 SER CB C 144 62.986 62.986 63.029 -0.043 18701 3398 1 4 . 1 1 144 144 SER H H 144 7.754 7.754 7.758 -0.004 18701 3399 1 4 . 1 1 145 145 ASP N N 145 123.316 123.316 122.906 0.410 18701 3400 1 4 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.372 0.036 18701 3401 1 4 . 1 1 145 145 ASP C C 145 178.708 178.708 177.943 0.765 18701 3402 1 4 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.355 0.014 18701 3403 1 4 . 1 1 145 145 ASP CB C 145 40.194 40.194 40.958 -0.764 18701 3404 1 4 . 1 1 145 145 ASP H H 145 8.172 8.172 8.126 0.046 18701 3405 1 4 . 1 1 146 146 LEU N N 146 121.453 121.453 117.808 3.645 18701 3406 1 4 . 1 1 146 146 LEU HA H 146 3.058 3.058 3.822 -0.764 18701 3407 1 4 . 1 1 146 146 LEU C C 146 178.447 178.447 178.734 -0.287 18701 3408 1 4 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.720 -0.351 18701 3409 1 4 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.393 1.243 18701 3410 1 4 . 1 1 146 146 LEU H H 146 8.186 8.186 7.750 0.436 18701 3411 1 4 . 1 1 147 147 MET N N 147 115.468 115.468 119.508 -4.040 18701 3412 1 4 . 1 1 147 147 MET HA H 147 4.314 4.314 3.987 0.327 18701 3413 1 4 . 1 1 147 147 MET C C 147 177.839 177.839 177.574 0.265 18701 3414 1 4 . 1 1 147 147 MET CA C 147 56.311 56.311 59.231 -2.920 18701 3415 1 4 . 1 1 147 147 MET CB C 147 31.891 31.891 32.509 -0.618 18701 3416 1 4 . 1 1 147 147 MET H H 147 7.622 7.622 7.956 -0.334 18701 3417 1 4 . 1 1 148 148 SER N N 148 115.203 115.203 115.346 -0.143 18701 3418 1 4 . 1 1 148 148 SER HA H 148 4.338 4.338 3.972 0.366 18701 3419 1 4 . 1 1 148 148 SER C C 148 174.953 174.953 176.613 -1.660 18701 3420 1 4 . 1 1 148 148 SER CA C 148 60.137 60.137 61.439 -1.302 18701 3421 1 4 . 1 1 148 148 SER CB C 148 63.637 63.637 63.154 0.483 18701 3422 1 4 . 1 1 148 148 SER H H 148 7.836 7.836 8.026 -0.190 18701 3423 1 4 . 1 1 149 149 ASN N N 149 119.635 119.635 118.242 1.393 18701 3424 1 4 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.393 0.290 18701 3425 1 4 . 1 1 149 149 ASN C C 149 174.953 174.953 177.283 -2.330 18701 3426 1 4 . 1 1 149 149 ASN CA C 149 54.439 54.439 55.400 -0.961 18701 3427 1 4 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.873 1.833 18701 3428 1 4 . 1 1 149 149 ASN H H 149 8.040 8.040 8.244 -0.204 18701 3429 1 4 . 1 1 150 150 GLN N N 150 118.805 118.805 116.718 2.087 18701 3430 1 4 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.936 0.377 18701 3431 1 4 . 1 1 150 150 GLN C C 150 175.365 175.365 174.618 0.747 18701 3432 1 4 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.582 -2.759 18701 3433 1 4 . 1 1 150 150 GLN CB C 150 29.287 29.287 28.559 0.728 18701 3434 1 4 . 1 1 150 150 GLN H H 150 8.041 8.041 7.960 0.081 18701 3435 1 4 . 1 1 151 151 ARG N N 151 122.082 122.082 116.487 5.595 18701 3436 1 4 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.744 -0.382 18701 3437 1 4 . 1 1 151 151 ARG C C 151 175.213 175.213 174.935 0.278 18701 3438 1 4 . 1 1 151 151 ARG CA C 151 56.332 56.332 54.696 1.636 18701 3439 1 4 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.898 -0.472 18701 3440 1 4 . 1 1 151 151 ARG H H 151 8.221 8.221 7.948 0.273 18701 3441 1 5 . 1 1 2 2 ALA N N 2 126.155 126.155 120.258 5.897 18701 3442 1 5 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.635 -0.293 18701 3443 1 5 . 1 1 2 2 ALA C C 2 177.458 177.458 176.000 1.458 18701 3444 1 5 . 1 1 2 2 ALA CA C 2 52.816 52.816 51.712 1.104 18701 3445 1 5 . 1 1 2 2 ALA CB C 2 19.437 19.437 19.723 -0.286 18701 3446 1 5 . 1 1 2 2 ALA H H 2 8.404 8.404 7.820 0.584 18701 3447 1 5 . 1 1 3 3 SER N N 3 115.406 115.406 119.115 -3.709 18701 3448 1 5 . 1 1 3 3 SER HA H 3 4.409 4.409 4.657 -0.248 18701 3449 1 5 . 1 1 3 3 SER C C 3 174.739 174.739 174.412 0.327 18701 3450 1 5 . 1 1 3 3 SER CA C 3 58.346 58.346 57.217 1.129 18701 3451 1 5 . 1 1 3 3 SER CB C 3 64.207 64.207 64.483 -0.276 18701 3452 1 5 . 1 1 3 3 SER H H 3 8.283 8.283 8.544 -0.261 18701 3453 1 5 . 1 1 4 4 GLY N N 4 110.853 110.853 109.470 1.383 18701 3454 1 5 . 1 1 4 4 GLY C C 4 173.502 173.502 173.973 -0.471 18701 3455 1 5 . 1 1 4 4 GLY CA C 4 45.078 45.078 45.068 0.010 18701 3456 1 5 . 1 1 4 4 GLY H H 4 8.358 8.358 8.489 -0.131 18701 3457 1 5 . 1 1 5 5 VAL N N 5 119.781 119.781 123.546 -3.765 18701 3458 1 5 . 1 1 5 5 VAL HA H 5 3.883 3.883 4.028 -0.145 18701 3459 1 5 . 1 1 5 5 VAL C C 5 175.390 175.390 175.136 0.254 18701 3460 1 5 . 1 1 5 5 VAL CA C 5 62.518 62.518 61.360 1.158 18701 3461 1 5 . 1 1 5 5 VAL CB C 5 32.705 32.705 32.740 -0.035 18701 3462 1 5 . 1 1 5 5 VAL H H 5 7.836 7.836 7.565 0.271 18701 3463 1 5 . 1 1 6 6 LYS N N 6 124.873 124.873 130.747 -5.874 18701 3464 1 5 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.186 0.283 18701 3465 1 5 . 1 1 6 6 LYS C C 6 175.278 175.278 175.614 -0.336 18701 3466 1 5 . 1 1 6 6 LYS CA C 6 54.927 54.927 56.609 -1.682 18701 3467 1 5 . 1 1 6 6 LYS CB C 6 34.577 34.577 32.689 1.888 18701 3468 1 5 . 1 1 6 6 LYS H H 6 7.988 7.988 8.325 -0.337 18701 3469 1 5 . 1 1 7 7 VAL N N 7 122.213 122.213 119.735 2.478 18701 3470 1 5 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.290 -0.407 18701 3471 1 5 . 1 1 7 7 VAL C C 7 175.756 175.756 175.233 0.523 18701 3472 1 5 . 1 1 7 7 VAL CA C 7 62.334 62.334 60.042 2.292 18701 3473 1 5 . 1 1 7 7 VAL CB C 7 32.054 32.054 33.270 -1.216 18701 3474 1 5 . 1 1 7 7 VAL H H 7 8.757 8.757 8.053 0.704 18701 3475 1 5 . 1 1 8 8 ASP N N 8 131.718 131.718 125.391 6.327 18701 3476 1 5 . 1 1 8 8 ASP HA H 8 4.673 4.673 5.120 -0.447 18701 3477 1 5 . 1 1 8 8 ASP C C 8 176.237 176.237 176.338 -0.101 18701 3478 1 5 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.196 4.243 18701 3479 1 5 . 1 1 8 8 ASP CB C 8 44.590 44.590 43.068 1.522 18701 3480 1 5 . 1 1 8 8 ASP H H 8 8.820 8.820 8.279 0.541 18701 3481 1 5 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.284 0.100 18701 3482 1 5 . 1 1 9 9 PRO C C 9 177.535 177.535 178.400 -0.865 18701 3483 1 5 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.567 0.942 18701 3484 1 5 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.338 -0.284 18701 3485 1 5 . 1 1 10 10 SER N N 10 113.842 113.842 116.352 -2.510 18701 3486 1 5 . 1 1 10 10 SER HA H 10 4.265 4.265 4.372 -0.107 18701 3487 1 5 . 1 1 10 10 SER C C 10 177.666 177.666 176.563 1.103 18701 3488 1 5 . 1 1 10 10 SER CA C 10 61.541 61.541 62.413 -0.872 18701 3489 1 5 . 1 1 10 10 SER CB C 10 62.660 62.660 62.691 -0.031 18701 3490 1 5 . 1 1 10 10 SER H H 10 8.811 8.811 8.524 0.287 18701 3491 1 5 . 1 1 11 11 CYS N N 11 121.231 121.231 120.983 0.248 18701 3492 1 5 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.253 -0.107 18701 3493 1 5 . 1 1 11 11 CYS C C 11 176.211 176.211 176.509 -0.298 18701 3494 1 5 . 1 1 11 11 CYS CA C 11 62.986 62.986 63.980 -0.994 18701 3495 1 5 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.207 0.289 18701 3496 1 5 . 1 1 11 11 CYS H H 11 8.459 8.459 8.930 -0.471 18701 3497 1 5 . 1 1 12 12 LYS N N 12 119.862 119.862 120.495 -0.633 18701 3498 1 5 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.145 -0.199 18701 3499 1 5 . 1 1 12 12 LYS C C 12 177.687 177.687 178.407 -0.720 18701 3500 1 5 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.976 0.265 18701 3501 1 5 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.813 0.648 18701 3502 1 5 . 1 1 12 12 LYS H H 12 7.615 7.615 7.850 -0.235 18701 3503 1 5 . 1 1 13 13 ASN N N 13 116.871 116.871 117.970 -1.099 18701 3504 1 5 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.475 -0.007 18701 3505 1 5 . 1 1 13 13 ASN C C 13 177.297 177.297 177.675 -0.378 18701 3506 1 5 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.620 0.017 18701 3507 1 5 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.471 0.014 18701 3508 1 5 . 1 1 13 13 ASN H H 13 7.489 7.489 8.453 -0.964 18701 3509 1 5 . 1 1 14 14 ALA N N 14 119.990 119.990 121.740 -1.750 18701 3510 1 5 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.128 0.113 18701 3511 1 5 . 1 1 14 14 ALA C C 14 179.077 179.077 179.060 0.017 18701 3512 1 5 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.664 0.913 18701 3513 1 5 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.730 -0.269 18701 3514 1 5 . 1 1 14 14 ALA H H 14 8.054 8.054 8.013 0.041 18701 3515 1 5 . 1 1 15 15 TYR N N 15 118.280 118.280 119.886 -1.606 18701 3516 1 5 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.273 -0.222 18701 3517 1 5 . 1 1 15 15 TYR C C 15 177.123 177.123 177.433 -0.310 18701 3518 1 5 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.436 1.305 18701 3519 1 5 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.884 0.577 18701 3520 1 5 . 1 1 15 15 TYR H H 15 8.380 8.380 8.536 -0.156 18701 3521 1 5 . 1 1 16 16 ASP N N 16 121.008 121.008 119.789 1.219 18701 3522 1 5 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.280 0.022 18701 3523 1 5 . 1 1 16 16 ASP C C 16 179.185 179.185 178.402 0.783 18701 3524 1 5 . 1 1 16 16 ASP CA C 16 58.102 58.102 57.346 0.756 18701 3525 1 5 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.686 -0.329 18701 3526 1 5 . 1 1 16 16 ASP H H 16 8.722 8.722 8.741 -0.019 18701 3527 1 5 . 1 1 17 17 LEU N N 17 119.368 119.368 118.976 0.392 18701 3528 1 5 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.018 -0.151 18701 3529 1 5 . 1 1 17 17 LEU C C 17 178.708 178.708 178.573 0.135 18701 3530 1 5 . 1 1 17 17 LEU CA C 17 58.102 58.102 58.441 -0.339 18701 3531 1 5 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.867 0.199 18701 3532 1 5 . 1 1 17 17 LEU H H 17 7.477 7.477 7.521 -0.044 18701 3533 1 5 . 1 1 18 18 LEU N N 18 121.503 121.503 116.165 5.338 18701 3534 1 5 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.381 -0.283 18701 3535 1 5 . 1 1 18 18 LEU C C 18 176.580 176.580 178.884 -2.304 18701 3536 1 5 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.236 2.666 18701 3537 1 5 . 1 1 18 18 LEU CB C 18 43.625 43.625 40.990 2.635 18701 3538 1 5 . 1 1 18 18 LEU H H 18 7.762 7.762 7.471 0.291 18701 3539 1 5 . 1 1 19 19 HIS N N 19 116.605 116.605 118.749 -2.144 18701 3540 1 5 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.190 -0.449 18701 3541 1 5 . 1 1 19 19 HIS C C 19 174.627 174.627 176.427 -1.800 18701 3542 1 5 . 1 1 19 19 HIS CA C 19 58.904 58.904 59.469 -0.565 18701 3543 1 5 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.035 -0.016 18701 3544 1 5 . 1 1 19 19 HIS H H 19 8.983 8.983 8.043 0.940 18701 3545 1 5 . 1 1 20 20 ASN N N 20 112.497 112.497 115.547 -3.050 18701 3546 1 5 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.671 -0.106 18701 3547 1 5 . 1 1 20 20 ASN C C 20 176.624 176.624 176.667 -0.043 18701 3548 1 5 . 1 1 20 20 ASN CA C 20 54.195 54.195 54.518 -0.323 18701 3549 1 5 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.718 -1.138 18701 3550 1 5 . 1 1 20 20 ASN H H 20 8.308 8.308 8.591 -0.283 18701 3551 1 5 . 1 1 21 21 LYS N N 21 113.544 113.544 118.944 -5.400 18701 3552 1 5 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.222 0.186 18701 3553 1 5 . 1 1 21 21 LYS C C 21 175.669 175.669 176.580 -0.911 18701 3554 1 5 . 1 1 21 21 LYS CA C 21 55.291 55.291 56.343 -1.052 18701 3555 1 5 . 1 1 21 21 LYS CB C 21 33.275 33.275 33.413 -0.138 18701 3556 1 5 . 1 1 21 21 LYS H H 21 6.621 6.621 7.771 -1.150 18701 3557 1 5 . 1 1 22 22 HIS N N 22 115.701 115.701 116.856 -1.155 18701 3558 1 5 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.422 0.297 18701 3559 1 5 . 1 1 22 22 HIS C C 22 174.670 174.670 174.800 -0.130 18701 3560 1 5 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.828 -0.496 18701 3561 1 5 . 1 1 22 22 HIS CB C 22 25.721 25.721 27.700 -1.979 18701 3562 1 5 . 1 1 22 22 HIS H H 22 6.838 6.838 8.193 -1.355 18701 3563 1 5 . 1 1 23 23 GLN N N 23 114.330 114.330 117.785 -3.455 18701 3564 1 5 . 1 1 23 23 GLN HA H 23 4.015 4.015 4.010 0.005 18701 3565 1 5 . 1 1 23 23 GLN C C 23 174.041 174.041 173.797 0.244 18701 3566 1 5 . 1 1 23 23 GLN CA C 23 56.311 56.311 57.221 -0.910 18701 3567 1 5 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.364 1.321 18701 3568 1 5 . 1 1 23 23 GLN H H 23 8.028 8.028 7.839 0.189 18701 3569 1 5 . 1 1 24 24 HIS N N 24 111.043 111.043 111.899 -0.856 18701 3570 1 5 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.671 -0.525 18701 3571 1 5 . 1 1 24 24 HIS C C 24 175.083 175.083 174.048 1.035 18701 3572 1 5 . 1 1 24 24 HIS CA C 24 53.305 53.305 54.816 -1.512 18701 3573 1 5 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.258 0.587 18701 3574 1 5 . 1 1 24 24 HIS H H 24 6.670 6.670 7.372 -0.702 18701 3575 1 5 . 1 1 25 25 SER N N 25 115.307 115.307 113.759 1.548 18701 3576 1 5 . 1 1 25 25 SER HA H 25 4.600 4.600 4.292 0.308 18701 3577 1 5 . 1 1 25 25 SER C C 25 173.368 173.368 172.923 0.445 18701 3578 1 5 . 1 1 25 25 SER CA C 25 59.648 59.648 57.769 1.879 18701 3579 1 5 . 1 1 25 25 SER CB C 25 64.532 64.532 64.482 0.050 18701 3580 1 5 . 1 1 25 25 SER H H 25 7.591 7.591 8.282 -0.691 18701 3581 1 5 . 1 1 26 26 TYR N N 26 111.318 111.318 118.670 -7.352 18701 3582 1 5 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.246 0.108 18701 3583 1 5 . 1 1 26 26 TYR C C 26 173.411 173.411 174.794 -1.383 18701 3584 1 5 . 1 1 26 26 TYR CA C 26 56.392 56.392 56.293 0.099 18701 3585 1 5 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.232 -0.224 18701 3586 1 5 . 1 1 26 26 TYR H H 26 6.635 6.635 7.477 -0.842 18701 3587 1 5 . 1 1 27 27 ILE N N 27 119.710 119.710 123.278 -3.568 18701 3588 1 5 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.779 -0.250 18701 3589 1 5 . 1 1 27 27 ILE C C 27 174.323 174.323 173.635 0.688 18701 3590 1 5 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.609 1.097 18701 3591 1 5 . 1 1 27 27 ILE CB C 27 44.020 44.020 41.617 2.403 18701 3592 1 5 . 1 1 27 27 ILE H H 27 9.191 9.191 9.245 -0.054 18701 3593 1 5 . 1 1 28 28 ILE N N 28 125.249 125.249 128.621 -3.372 18701 3594 1 5 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.300 0.504 18701 3595 1 5 . 1 1 28 28 ILE C C 28 174.757 174.757 174.384 0.373 18701 3596 1 5 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.471 0.480 18701 3597 1 5 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.244 0.869 18701 3598 1 5 . 1 1 28 28 ILE H H 28 9.049 9.049 9.188 -0.139 18701 3599 1 5 . 1 1 29 29 PHE N N 29 126.153 126.153 126.211 -0.058 18701 3600 1 5 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.249 0.476 18701 3601 1 5 . 1 1 29 29 PHE C C 29 174.193 174.193 174.351 -0.158 18701 3602 1 5 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.433 -0.610 18701 3603 1 5 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.707 0.173 18701 3604 1 5 . 1 1 29 29 PHE H H 29 9.514 9.514 8.742 0.772 18701 3605 1 5 . 1 1 30 30 LYS N N 30 116.531 116.531 117.517 -0.986 18701 3606 1 5 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.549 0.602 18701 3607 1 5 . 1 1 30 30 LYS C C 30 173.411 173.411 174.487 -1.076 18701 3608 1 5 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.862 -0.586 18701 3609 1 5 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.531 0.651 18701 3610 1 5 . 1 1 30 30 LYS H H 30 8.950 8.950 8.952 -0.002 18701 3611 1 5 . 1 1 31 31 ILE N N 31 120.757 120.757 122.931 -2.174 18701 3612 1 5 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.826 -0.142 18701 3613 1 5 . 1 1 31 31 ILE C C 31 174.714 174.714 174.738 -0.024 18701 3614 1 5 . 1 1 31 31 ILE CA C 31 61.846 61.846 60.055 1.791 18701 3615 1 5 . 1 1 31 31 ILE CB C 31 37.508 37.508 39.362 -1.854 18701 3616 1 5 . 1 1 31 31 ILE H H 31 8.256 8.256 8.443 -0.187 18701 3617 1 5 . 1 1 32 32 ASP N N 32 130.811 130.811 129.022 1.789 18701 3618 1 5 . 1 1 32 32 ASP HA H 32 4.445 4.445 5.052 -0.607 18701 3619 1 5 . 1 1 32 32 ASP CA C 32 53.663 53.663 52.636 1.027 18701 3620 1 5 . 1 1 32 32 ASP CB C 32 37.489 37.489 44.248 -6.759 18701 3621 1 5 . 1 1 32 32 ASP H H 32 9.441 9.441 9.001 0.440 18701 3622 1 5 . 1 1 33 33 LYS HA H 33 4.314 4.314 3.929 0.385 18701 3623 1 5 . 1 1 33 33 LYS C C 33 174.759 174.759 175.647 -0.888 18701 3624 1 5 . 1 1 33 33 LYS CA C 33 56.230 56.230 56.680 -0.450 18701 3625 1 5 . 1 1 33 33 LYS CB C 33 29.205 29.205 32.091 -2.886 18701 3626 1 5 . 1 1 34 34 ASN N N 34 117.759 117.759 120.062 -2.303 18701 3627 1 5 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.566 0.118 18701 3628 1 5 . 1 1 34 34 ASN C C 34 174.736 174.736 176.189 -1.453 18701 3629 1 5 . 1 1 34 34 ASN CA C 34 54.151 54.151 54.813 -0.662 18701 3630 1 5 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.067 1.557 18701 3631 1 5 . 1 1 34 34 ASN H H 34 8.573 8.573 8.687 -0.114 18701 3632 1 5 . 1 1 35 35 ASP N N 35 115.713 115.713 118.136 -2.423 18701 3633 1 5 . 1 1 35 35 ASP C C 35 175.586 175.586 174.860 0.726 18701 3634 1 5 . 1 1 35 35 ASP CA C 35 54.043 54.043 54.209 -0.166 18701 3635 1 5 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.674 1.417 18701 3636 1 5 . 1 1 35 35 ASP H H 35 8.134 8.134 8.103 0.031 18701 3637 1 5 . 1 1 36 36 THR HA H 36 4.565 4.565 4.011 0.554 18701 3638 1 5 . 1 1 36 36 THR C C 36 175.517 175.517 172.665 2.852 18701 3639 1 5 . 1 1 36 36 THR CA C 36 62.579 62.579 62.803 -0.224 18701 3640 1 5 . 1 1 36 36 THR CB C 36 71.858 71.858 68.248 3.611 18701 3641 1 5 . 1 1 37 37 ALA N N 37 124.761 124.761 126.620 -1.859 18701 3642 1 5 . 1 1 37 37 ALA HA H 37 5.498 5.498 4.923 0.575 18701 3643 1 5 . 1 1 37 37 ALA C C 37 175.300 175.300 175.767 -0.467 18701 3644 1 5 . 1 1 37 37 ALA CA C 37 51.481 51.481 51.733 -0.252 18701 3645 1 5 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.065 0.547 18701 3646 1 5 . 1 1 37 37 ALA H H 37 8.054 8.054 8.093 -0.039 18701 3647 1 5 . 1 1 38 38 ILE N N 38 121.171 121.171 126.332 -5.161 18701 3648 1 5 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.934 -0.267 18701 3649 1 5 . 1 1 38 38 ILE C C 38 174.301 174.301 175.126 -0.825 18701 3650 1 5 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.517 -1.078 18701 3651 1 5 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.389 0.827 18701 3652 1 5 . 1 1 38 38 ILE H H 38 8.623 8.623 8.388 0.235 18701 3653 1 5 . 1 1 39 39 VAL N N 39 118.121 118.121 126.226 -8.105 18701 3654 1 5 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.871 -0.198 18701 3655 1 5 . 1 1 39 39 VAL C C 39 174.974 174.974 174.995 -0.021 18701 3656 1 5 . 1 1 39 39 VAL CA C 39 59.078 59.078 58.820 0.258 18701 3657 1 5 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.397 -0.924 18701 3658 1 5 . 1 1 39 39 VAL H H 39 9.083 9.083 9.159 -0.076 18701 3659 1 5 . 1 1 40 40 VAL N N 40 121.315 121.315 125.205 -3.890 18701 3660 1 5 . 1 1 40 40 VAL HA H 40 3.788 3.788 3.991 -0.203 18701 3661 1 5 . 1 1 40 40 VAL C C 40 175.300 175.300 176.039 -0.739 18701 3662 1 5 . 1 1 40 40 VAL CA C 40 63.800 63.800 64.234 -0.434 18701 3663 1 5 . 1 1 40 40 VAL CB C 40 32.624 32.624 30.986 1.638 18701 3664 1 5 . 1 1 40 40 VAL H H 40 8.345 8.345 8.629 -0.284 18701 3665 1 5 . 1 1 41 41 GLU N N 41 130.920 130.920 129.688 1.232 18701 3666 1 5 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.386 0.023 18701 3667 1 5 . 1 1 41 41 GLU C C 41 175.647 175.647 175.867 -0.220 18701 3668 1 5 . 1 1 41 41 GLU CA C 41 57.206 57.206 56.912 0.294 18701 3669 1 5 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.695 1.822 18701 3670 1 5 . 1 1 41 41 GLU H H 41 9.388 9.388 9.165 0.223 18701 3671 1 5 . 1 1 42 42 LYS N N 42 115.836 115.836 118.761 -2.925 18701 3672 1 5 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.485 0.169 18701 3673 1 5 . 1 1 42 42 LYS C C 42 173.715 173.715 173.650 0.065 18701 3674 1 5 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.426 -0.906 18701 3675 1 5 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.550 1.307 18701 3676 1 5 . 1 1 42 42 LYS H H 42 7.523 7.523 7.580 -0.057 18701 3677 1 5 . 1 1 43 43 VAL N N 43 118.472 118.472 126.383 -7.911 18701 3678 1 5 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.743 -0.298 18701 3679 1 5 . 1 1 43 43 VAL C C 43 174.931 174.931 174.830 0.101 18701 3680 1 5 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.831 -0.183 18701 3681 1 5 . 1 1 43 43 VAL CB C 43 34.170 34.170 33.803 0.367 18701 3682 1 5 . 1 1 43 43 VAL H H 43 8.315 8.315 8.336 -0.021 18701 3683 1 5 . 1 1 44 44 GLY N N 44 112.479 112.479 116.020 -3.541 18701 3684 1 5 . 1 1 44 44 GLY C C 44 174.149 174.149 173.121 1.028 18701 3685 1 5 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.695 -0.311 18701 3686 1 5 . 1 1 44 44 GLY H H 44 7.953 7.953 9.048 -1.095 18701 3687 1 5 . 1 1 45 45 GLU N N 45 122.999 122.999 120.239 2.760 18701 3688 1 5 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.644 -0.225 18701 3689 1 5 . 1 1 45 45 GLU C C 45 175.365 175.365 177.572 -2.207 18701 3690 1 5 . 1 1 45 45 GLU CA C 45 56.392 56.392 55.153 1.240 18701 3691 1 5 . 1 1 45 45 GLU CB C 45 30.670 30.670 31.383 -0.713 18701 3692 1 5 . 1 1 45 45 GLU H H 45 8.949 8.949 8.796 0.153 18701 3693 1 5 . 1 1 48 48 ALA N N 48 124.687 124.687 122.515 2.172 18701 3694 1 5 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.752 -0.331 18701 3695 1 5 . 1 1 48 48 ALA C C 48 176.210 176.210 174.542 1.668 18701 3696 1 5 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.577 1.931 18701 3697 1 5 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.832 -2.185 18701 3698 1 5 . 1 1 48 48 ALA H H 48 7.627 7.627 7.600 0.027 18701 3699 1 5 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.504 0.145 18701 3700 1 5 . 1 1 49 49 PRO C C 49 177.535 177.535 176.888 0.647 18701 3701 1 5 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.220 0.277 18701 3702 1 5 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.515 -0.379 18701 3703 1 5 . 1 1 50 50 TYR N N 50 127.091 127.091 120.950 6.141 18701 3704 1 5 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.246 -0.185 18701 3705 1 5 . 1 1 50 50 TYR C C 50 177.427 177.427 178.412 -0.985 18701 3706 1 5 . 1 1 50 50 TYR CA C 50 62.660 62.660 61.912 0.748 18701 3707 1 5 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.668 0.572 18701 3708 1 5 . 1 1 50 50 TYR H H 50 9.065 9.065 8.503 0.562 18701 3709 1 5 . 1 1 51 51 ALA N N 51 117.547 117.547 119.831 -2.284 18701 3710 1 5 . 1 1 51 51 ALA HA H 51 4.075 4.075 4.007 0.068 18701 3711 1 5 . 1 1 51 51 ALA C C 51 179.836 179.836 179.421 0.415 18701 3712 1 5 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.965 0.044 18701 3713 1 5 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.819 1.211 18701 3714 1 5 . 1 1 51 51 ALA H H 51 8.910 8.910 8.666 0.244 18701 3715 1 5 . 1 1 52 52 GLU N N 52 117.688 117.688 119.340 -1.652 18701 3716 1 5 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.038 -0.012 18701 3717 1 5 . 1 1 52 52 GLU C C 52 177.970 177.970 178.266 -0.296 18701 3718 1 5 . 1 1 52 52 GLU CA C 52 59.241 59.241 59.254 -0.013 18701 3719 1 5 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.583 0.192 18701 3720 1 5 . 1 1 52 52 GLU H H 52 7.708 7.708 7.698 0.010 18701 3721 1 5 . 1 1 53 53 PHE N N 53 120.303 120.303 119.182 1.121 18701 3722 1 5 . 1 1 53 53 PHE HA H 53 2.974 2.974 3.978 -1.004 18701 3723 1 5 . 1 1 53 53 PHE C C 53 175.582 175.582 176.782 -1.200 18701 3724 1 5 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.118 -0.226 18701 3725 1 5 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.301 -1.607 18701 3726 1 5 . 1 1 53 53 PHE H H 53 6.778 6.778 7.445 -0.667 18701 3727 1 5 . 1 1 54 54 VAL N N 54 117.631 117.631 119.142 -1.511 18701 3728 1 5 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.174 -0.823 18701 3729 1 5 . 1 1 54 54 VAL C C 54 177.101 177.101 177.901 -0.800 18701 3730 1 5 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.279 0.614 18701 3731 1 5 . 1 1 54 54 VAL CB C 54 31.484 31.484 31.283 0.201 18701 3732 1 5 . 1 1 54 54 VAL H H 54 7.104 7.104 7.603 -0.499 18701 3733 1 5 . 1 1 55 55 GLU N N 55 118.253 118.253 119.557 -1.304 18701 3734 1 5 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.963 -0.223 18701 3735 1 5 . 1 1 55 55 GLU C C 55 178.859 178.859 178.803 0.056 18701 3736 1 5 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.484 -0.568 18701 3737 1 5 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.165 0.122 18701 3738 1 5 . 1 1 55 55 GLU H H 55 7.592 7.592 8.085 -0.493 18701 3739 1 5 . 1 1 56 56 GLU N N 56 118.908 118.908 117.536 1.372 18701 3740 1 5 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.020 -0.173 18701 3741 1 5 . 1 1 56 56 GLU C C 56 179.272 179.272 178.133 1.139 18701 3742 1 5 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.282 0.552 18701 3743 1 5 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.108 -0.473 18701 3744 1 5 . 1 1 56 56 GLU H H 56 8.002 8.002 7.933 0.069 18701 3745 1 5 . 1 1 57 57 MET N N 57 117.937 117.937 119.190 -1.253 18701 3746 1 5 . 1 1 57 57 MET HA H 57 3.799 3.799 4.124 -0.325 18701 3747 1 5 . 1 1 57 57 MET C C 57 177.514 177.514 177.430 0.084 18701 3748 1 5 . 1 1 57 57 MET CA C 57 57.044 57.044 57.763 -0.719 18701 3749 1 5 . 1 1 57 57 MET CB C 57 30.263 30.263 32.981 -2.718 18701 3750 1 5 . 1 1 57 57 MET H H 57 7.838 7.838 7.450 0.388 18701 3751 1 5 . 1 1 58 58 LYS N N 58 119.343 119.343 120.331 -0.988 18701 3752 1 5 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.778 -0.159 18701 3753 1 5 . 1 1 58 58 LYS C C 58 178.339 178.339 178.559 -0.220 18701 3754 1 5 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.467 0.751 18701 3755 1 5 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.164 0.623 18701 3756 1 5 . 1 1 58 58 LYS H H 58 8.341 8.341 7.865 0.476 18701 3757 1 5 . 1 1 59 59 LYS N N 59 114.611 114.611 115.324 -0.713 18701 3758 1 5 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.477 -0.583 18701 3759 1 5 . 1 1 59 59 LYS C C 59 178.404 178.404 177.956 0.448 18701 3760 1 5 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.411 0.505 18701 3761 1 5 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.711 1.076 18701 3762 1 5 . 1 1 59 59 LYS H H 59 7.126 7.126 7.920 -0.794 18701 3763 1 5 . 1 1 60 60 LEU N N 60 117.334 117.334 118.025 -0.691 18701 3764 1 5 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.208 -0.074 18701 3765 1 5 . 1 1 60 60 LEU C C 60 179.619 179.619 178.987 0.632 18701 3766 1 5 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.863 -0.145 18701 3767 1 5 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.570 0.554 18701 3768 1 5 . 1 1 60 60 LEU H H 60 7.343 7.343 7.287 0.056 18701 3769 1 5 . 1 1 61 61 VAL N N 61 108.515 108.515 118.952 -10.437 18701 3770 1 5 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.667 0.776 18701 3771 1 5 . 1 1 61 61 VAL C C 61 177.753 177.753 177.471 0.282 18701 3772 1 5 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.872 -4.759 18701 3773 1 5 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.484 0.489 18701 3774 1 5 . 1 1 61 61 VAL H H 61 7.730 7.730 7.505 0.225 18701 3775 1 5 . 1 1 62 62 GLU N N 62 123.907 123.907 118.783 5.124 18701 3776 1 5 . 1 1 62 62 GLU HA H 62 4.026 4.026 3.978 0.048 18701 3777 1 5 . 1 1 62 62 GLU C C 62 176.602 176.602 177.165 -0.563 18701 3778 1 5 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.094 1.147 18701 3779 1 5 . 1 1 62 62 GLU CB C 62 29.205 29.205 28.690 0.515 18701 3780 1 5 . 1 1 62 62 GLU H H 62 7.583 7.583 7.833 -0.250 18701 3781 1 5 . 1 1 63 63 ASP N N 63 118.203 118.203 120.115 -1.912 18701 3782 1 5 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.409 -0.035 18701 3783 1 5 . 1 1 63 63 ASP C C 63 177.557 177.557 176.757 0.800 18701 3784 1 5 . 1 1 63 63 ASP CA C 63 54.927 54.927 55.469 -0.542 18701 3785 1 5 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.353 -1.322 18701 3786 1 5 . 1 1 63 63 ASP H H 63 8.584 8.584 7.629 0.955 18701 3787 1 5 . 1 1 64 64 GLY N N 64 107.534 107.534 107.880 -0.346 18701 3788 1 5 . 1 1 64 64 GLY C C 64 173.281 173.281 172.712 0.569 18701 3789 1 5 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.680 0.637 18701 3790 1 5 . 1 1 64 64 GLY H H 64 8.036 8.036 7.901 0.135 18701 3791 1 5 . 1 1 65 65 LYS N N 65 115.632 115.632 122.168 -6.536 18701 3792 1 5 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.536 -0.330 18701 3793 1 5 . 1 1 65 65 LYS C C 65 176.233 176.233 175.182 1.051 18701 3794 1 5 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.144 1.329 18701 3795 1 5 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.999 2.052 18701 3796 1 5 . 1 1 65 65 LYS H H 65 8.197 8.197 8.257 -0.060 18701 3797 1 5 . 1 1 66 66 GLU N N 66 118.786 118.786 122.479 -3.693 18701 3798 1 5 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.457 -0.203 18701 3799 1 5 . 1 1 66 66 GLU C C 66 174.063 174.063 175.138 -1.075 18701 3800 1 5 . 1 1 66 66 GLU CA C 66 55.823 55.823 54.971 0.852 18701 3801 1 5 . 1 1 66 66 GLU CB C 66 33.031 33.031 31.525 1.506 18701 3802 1 5 . 1 1 66 66 GLU H H 66 7.775 7.775 8.400 -0.625 18701 3803 1 5 . 1 1 67 67 CYS N N 67 114.372 114.372 123.202 -8.830 18701 3804 1 5 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.720 -0.514 18701 3805 1 5 . 1 1 67 67 CYS C C 67 175.517 175.517 174.347 1.170 18701 3806 1 5 . 1 1 67 67 CYS CA C 67 56.431 56.431 58.661 -2.230 18701 3807 1 5 . 1 1 67 67 CYS CB C 67 29.465 29.465 28.724 0.741 18701 3808 1 5 . 1 1 67 67 CYS H H 67 7.586 7.586 8.611 -1.025 18701 3809 1 5 . 1 1 68 68 ARG N N 68 117.544 117.544 126.426 -8.882 18701 3810 1 5 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.567 -0.161 18701 3811 1 5 . 1 1 68 68 ARG C C 68 176.624 176.624 174.599 2.025 18701 3812 1 5 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.814 0.520 18701 3813 1 5 . 1 1 68 68 ARG CB C 68 32.376 32.376 32.764 -0.388 18701 3814 1 5 . 1 1 68 68 ARG H H 68 7.682 7.682 8.669 -0.987 18701 3815 1 5 . 1 1 69 69 TYR N N 69 115.996 115.996 123.969 -7.973 18701 3816 1 5 . 1 1 69 69 TYR HA H 69 5.819 5.819 5.425 0.394 18701 3817 1 5 . 1 1 69 69 TYR C C 69 175.300 175.300 173.545 1.755 18701 3818 1 5 . 1 1 69 69 TYR CA C 69 54.379 54.379 54.923 -0.544 18701 3819 1 5 . 1 1 69 69 TYR CB C 69 41.998 41.998 39.724 2.274 18701 3820 1 5 . 1 1 69 69 TYR H H 69 8.139 8.139 7.817 0.322 18701 3821 1 5 . 1 1 70 70 ALA N N 70 121.451 121.451 125.536 -4.085 18701 3822 1 5 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.236 0.500 18701 3823 1 5 . 1 1 70 70 ALA C C 70 174.367 174.367 174.837 -0.470 18701 3824 1 5 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.105 2.353 18701 3825 1 5 . 1 1 70 70 ALA CB C 70 24.158 24.158 23.255 0.903 18701 3826 1 5 . 1 1 70 70 ALA H H 70 9.334 9.334 8.397 0.937 18701 3827 1 5 . 1 1 71 71 ALA N N 71 121.815 121.815 123.789 -1.974 18701 3828 1 5 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.634 0.234 18701 3829 1 5 . 1 1 71 71 ALA C C 71 175.495 175.495 175.465 0.030 18701 3830 1 5 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.243 0.848 18701 3831 1 5 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.276 -0.722 18701 3832 1 5 . 1 1 71 71 ALA H H 71 9.059 9.059 9.250 -0.191 18701 3833 1 5 . 1 1 72 72 VAL N N 72 120.963 120.963 124.636 -3.673 18701 3834 1 5 . 1 1 72 72 VAL HA H 72 4.505 4.505 5.225 -0.720 18701 3835 1 5 . 1 1 72 72 VAL C C 72 173.194 173.194 173.792 -0.598 18701 3836 1 5 . 1 1 72 72 VAL CA C 72 61.276 61.276 59.574 1.702 18701 3837 1 5 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.749 -0.683 18701 3838 1 5 . 1 1 72 72 VAL H H 72 8.665 8.665 9.177 -0.512 18701 3839 1 5 . 1 1 73 73 ASP N N 73 128.360 128.360 130.757 -2.397 18701 3840 1 5 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.130 -0.159 18701 3841 1 5 . 1 1 73 73 ASP C C 73 175.256 175.256 174.252 1.004 18701 3842 1 5 . 1 1 73 73 ASP CA C 73 53.891 53.891 53.575 0.316 18701 3843 1 5 . 1 1 73 73 ASP CB C 73 41.659 41.659 42.124 -0.465 18701 3844 1 5 . 1 1 73 73 ASP H H 73 8.896 8.896 8.866 0.030 18701 3845 1 5 . 1 1 74 74 VAL N N 74 127.568 127.568 126.015 1.553 18701 3846 1 5 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.551 -0.357 18701 3847 1 5 . 1 1 74 74 VAL C C 74 173.846 173.846 173.673 0.173 18701 3848 1 5 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.426 2.420 18701 3849 1 5 . 1 1 74 74 VAL CB C 74 33.682 33.682 36.073 -2.391 18701 3850 1 5 . 1 1 74 74 VAL H H 74 9.232 9.232 8.451 0.781 18701 3851 1 5 . 1 1 75 75 GLU N N 75 126.833 126.833 128.912 -2.079 18701 3852 1 5 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.719 0.120 18701 3853 1 5 . 1 1 75 75 GLU C C 75 175.799 175.799 175.004 0.795 18701 3854 1 5 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.325 1.253 18701 3855 1 5 . 1 1 75 75 GLU CB C 75 31.647 31.647 29.895 1.752 18701 3856 1 5 . 1 1 75 75 GLU H H 75 8.560 8.560 8.689 -0.129 18701 3857 1 5 . 1 1 76 76 VAL N N 76 123.421 123.421 125.225 -1.804 18701 3858 1 5 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.372 0.060 18701 3859 1 5 . 1 1 76 76 VAL C C 76 174.562 174.562 175.296 -0.734 18701 3860 1 5 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.174 -0.712 18701 3861 1 5 . 1 1 76 76 VAL CB C 76 34.822 34.822 34.152 0.670 18701 3862 1 5 . 1 1 76 76 VAL H H 76 9.032 9.032 8.601 0.431 18701 3863 1 5 . 1 1 77 77 THR N N 77 120.606 120.606 122.258 -1.652 18701 3864 1 5 . 1 1 77 77 THR HA H 77 4.876 4.876 4.562 0.314 18701 3865 1 5 . 1 1 77 77 THR C C 77 173.998 173.998 173.998 0.000 18701 3866 1 5 . 1 1 77 77 THR CA C 77 62.172 62.172 61.953 0.219 18701 3867 1 5 . 1 1 77 77 THR CB C 77 70.067 70.067 68.222 1.845 18701 3868 1 5 . 1 1 77 77 THR H H 77 8.402 8.402 8.535 -0.133 18701 3869 1 5 . 1 1 78 78 VAL N N 78 122.942 122.942 126.414 -3.472 18701 3870 1 5 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.445 -0.061 18701 3871 1 5 . 1 1 78 78 VAL C C 78 174.605 174.605 173.849 0.756 18701 3872 1 5 . 1 1 78 78 VAL CA C 78 60.218 60.218 59.679 0.539 18701 3873 1 5 . 1 1 78 78 VAL CB C 78 34.740 34.740 36.540 -1.800 18701 3874 1 5 . 1 1 78 78 VAL H H 78 8.781 8.781 8.971 -0.190 18701 3875 1 5 . 1 1 79 79 GLN N N 79 123.562 123.562 123.076 0.486 18701 3876 1 5 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.568 -0.188 18701 3877 1 5 . 1 1 79 79 GLN C C 79 175.647 175.647 175.064 0.583 18701 3878 1 5 . 1 1 79 79 GLN CA C 79 55.578 55.578 54.982 0.596 18701 3879 1 5 . 1 1 79 79 GLN CB C 79 29.531 29.531 29.087 0.445 18701 3880 1 5 . 1 1 79 79 GLN H H 79 8.527 8.527 8.502 0.025 18701 3881 1 5 . 1 1 80 80 ARG N N 80 125.030 125.030 125.550 -0.520 18701 3882 1 5 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.716 -0.439 18701 3883 1 5 . 1 1 80 80 ARG C C 80 175.864 175.864 175.904 -0.040 18701 3884 1 5 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.702 2.202 18701 3885 1 5 . 1 1 80 80 ARG CB C 80 31.322 31.322 33.371 -2.050 18701 3886 1 5 . 1 1 80 80 ARG H H 80 8.516 8.516 8.024 0.492 18701 3887 1 5 . 1 1 81 81 GLN N N 81 122.473 122.473 120.668 1.805 18701 3888 1 5 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.126 0.079 18701 3889 1 5 . 1 1 81 81 GLN C C 81 176.776 176.776 176.690 0.086 18701 3890 1 5 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.730 -1.105 18701 3891 1 5 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.046 0.834 18701 3892 1 5 . 1 1 81 81 GLN H H 81 8.609 8.609 8.935 -0.326 18701 3893 1 5 . 1 1 82 82 GLY N N 82 112.685 112.685 110.023 2.662 18701 3894 1 5 . 1 1 82 82 GLY C C 82 173.498 173.498 173.078 0.420 18701 3895 1 5 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.519 1.210 18701 3896 1 5 . 1 1 82 82 GLY H H 82 8.766 8.766 8.638 0.128 18701 3897 1 5 . 1 1 83 83 ALA N N 83 123.093 123.093 124.345 -1.252 18701 3898 1 5 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.754 -0.345 18701 3899 1 5 . 1 1 83 83 ALA C C 83 176.971 176.971 175.802 1.169 18701 3900 1 5 . 1 1 83 83 ALA CA C 83 52.165 52.165 52.054 0.111 18701 3901 1 5 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.954 -0.703 18701 3902 1 5 . 1 1 83 83 ALA H H 83 7.965 7.965 7.692 0.273 18701 3903 1 5 . 1 1 84 84 GLU N N 84 118.929 118.929 120.671 -1.742 18701 3904 1 5 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.229 0.025 18701 3905 1 5 . 1 1 84 84 GLU C C 84 176.928 176.928 176.375 0.553 18701 3906 1 5 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.448 0.596 18701 3907 1 5 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.737 0.689 18701 3908 1 5 . 1 1 84 84 GLU H H 84 8.390 8.390 8.733 -0.343 18701 3909 1 5 . 1 1 85 85 GLY N N 85 109.042 109.042 109.963 -0.921 18701 3910 1 5 . 1 1 85 85 GLY C C 85 173.607 173.607 173.569 0.038 18701 3911 1 5 . 1 1 85 85 GLY CA C 85 44.997 44.997 43.647 1.350 18701 3912 1 5 . 1 1 85 85 GLY H H 85 8.220 8.220 7.833 0.387 18701 3913 1 5 . 1 1 86 86 THR N N 86 112.014 112.014 113.012 -0.998 18701 3914 1 5 . 1 1 86 86 THR HA H 86 4.792 4.792 4.135 0.657 18701 3915 1 5 . 1 1 86 86 THR C C 86 174.280 174.280 174.056 0.224 18701 3916 1 5 . 1 1 86 86 THR CA C 86 61.113 61.113 62.502 -1.389 18701 3917 1 5 . 1 1 86 86 THR CB C 86 71.532 71.532 68.484 3.048 18701 3918 1 5 . 1 1 86 86 THR H H 86 8.172 8.172 8.189 -0.017 18701 3919 1 5 . 1 1 87 87 SER N N 87 117.161 117.161 123.482 -6.321 18701 3920 1 5 . 1 1 87 87 SER HA H 87 4.744 4.744 4.615 0.129 18701 3921 1 5 . 1 1 87 87 SER C C 87 172.956 172.956 173.564 -0.608 18701 3922 1 5 . 1 1 87 87 SER CA C 87 57.532 57.532 58.096 -0.563 18701 3923 1 5 . 1 1 87 87 SER CB C 87 65.428 65.428 63.740 1.688 18701 3924 1 5 . 1 1 87 87 SER H H 87 8.782 8.782 8.626 0.156 18701 3925 1 5 . 1 1 88 88 THR N N 88 116.763 116.763 124.253 -7.490 18701 3926 1 5 . 1 1 88 88 THR HA H 88 5.151 5.151 4.721 0.430 18701 3927 1 5 . 1 1 88 88 THR C C 88 173.650 173.650 173.807 -0.157 18701 3928 1 5 . 1 1 88 88 THR CA C 88 61.439 61.439 62.019 -0.580 18701 3929 1 5 . 1 1 88 88 THR CB C 88 71.125 71.125 69.401 1.724 18701 3930 1 5 . 1 1 88 88 THR H H 88 8.404 8.404 8.486 -0.082 18701 3931 1 5 . 1 1 89 89 LEU N N 89 126.308 126.308 129.123 -2.815 18701 3932 1 5 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.577 0.035 18701 3933 1 5 . 1 1 89 89 LEU C C 89 174.171 174.171 175.698 -1.527 18701 3934 1 5 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.503 0.681 18701 3935 1 5 . 1 1 89 89 LEU CB C 89 45.078 45.078 43.557 1.521 18701 3936 1 5 . 1 1 89 89 LEU H H 89 9.039 9.039 8.505 0.534 18701 3937 1 5 . 1 1 90 90 ASN N N 90 120.749 120.749 121.894 -1.145 18701 3938 1 5 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.022 0.619 18701 3939 1 5 . 1 1 90 90 ASN C C 90 174.757 174.757 174.838 -0.081 18701 3940 1 5 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.520 0.861 18701 3941 1 5 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.314 1.450 18701 3942 1 5 . 1 1 90 90 ASN H H 90 8.347 8.347 8.774 -0.427 18701 3943 1 5 . 1 1 91 91 LYS N N 91 123.843 123.843 124.391 -0.548 18701 3944 1 5 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.726 -0.030 18701 3945 1 5 . 1 1 91 91 LYS C C 91 173.629 173.629 175.384 -1.755 18701 3946 1 5 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.347 -0.034 18701 3947 1 5 . 1 1 91 91 LYS CB C 91 36.531 36.531 35.353 1.178 18701 3948 1 5 . 1 1 91 91 LYS H H 91 9.087 9.087 8.853 0.234 18701 3949 1 5 . 1 1 92 92 VAL N N 92 123.150 123.150 127.267 -4.117 18701 3950 1 5 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.440 0.663 18701 3951 1 5 . 1 1 92 92 VAL C C 92 175.517 175.517 174.810 0.707 18701 3952 1 5 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.921 -0.238 18701 3953 1 5 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.450 -0.478 18701 3954 1 5 . 1 1 92 92 VAL H H 92 8.479 8.479 8.926 -0.447 18701 3955 1 5 . 1 1 93 93 ILE N N 93 120.433 120.433 129.719 -9.286 18701 3956 1 5 . 1 1 93 93 ILE HA H 93 5.354 5.354 5.011 0.343 18701 3957 1 5 . 1 1 93 93 ILE C C 93 174.215 174.215 173.604 0.611 18701 3958 1 5 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.019 0.243 18701 3959 1 5 . 1 1 93 93 ILE CB C 93 41.008 41.008 41.749 -0.741 18701 3960 1 5 . 1 1 93 93 ILE H H 93 9.155 9.155 9.270 -0.115 18701 3961 1 5 . 1 1 94 94 PHE N N 94 122.349 122.349 128.875 -6.526 18701 3962 1 5 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.410 0.171 18701 3963 1 5 . 1 1 94 94 PHE C C 94 173.042 173.042 173.865 -0.823 18701 3964 1 5 . 1 1 94 94 PHE CA C 94 56.397 56.397 55.932 0.465 18701 3965 1 5 . 1 1 94 94 PHE CB C 94 42.392 42.392 41.220 1.172 18701 3966 1 5 . 1 1 94 94 PHE H H 94 9.002 9.002 9.339 -0.337 18701 3967 1 5 . 1 1 95 95 VAL N N 95 126.937 126.937 128.410 -1.473 18701 3968 1 5 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.718 -0.013 18701 3969 1 5 . 1 1 95 95 VAL C C 95 174.128 174.128 174.806 -0.678 18701 3970 1 5 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.908 -0.400 18701 3971 1 5 . 1 1 95 95 VAL CB C 95 35.554 35.554 32.066 3.488 18701 3972 1 5 . 1 1 95 95 VAL H H 95 8.978 8.978 9.116 -0.138 18701 3973 1 5 . 1 1 96 96 GLN N N 96 124.946 124.946 126.726 -1.780 18701 3974 1 5 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.551 0.181 18701 3975 1 5 . 1 1 96 96 GLN C C 96 172.912 172.912 174.787 -1.875 18701 3976 1 5 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.387 1.034 18701 3977 1 5 . 1 1 96 96 GLN CB C 96 31.403 31.403 28.882 2.521 18701 3978 1 5 . 1 1 96 96 GLN H H 96 8.516 8.516 8.375 0.141 18701 3979 1 5 . 1 1 97 97 TYR N N 97 129.236 129.236 128.441 0.795 18701 3980 1 5 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.093 -0.074 18701 3981 1 5 . 1 1 97 97 TYR C C 97 174.844 174.844 174.437 0.407 18701 3982 1 5 . 1 1 97 97 TYR CA C 97 57.244 57.244 58.109 -0.865 18701 3983 1 5 . 1 1 97 97 TYR CB C 97 41.252 41.252 39.803 1.449 18701 3984 1 5 . 1 1 97 97 TYR H H 97 9.030 9.030 8.957 0.073 18701 3985 1 5 . 1 1 98 98 CYS N N 98 127.084 127.084 126.735 0.349 18701 3986 1 5 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.454 0.278 18701 3987 1 5 . 1 1 98 98 CYS CA C 98 54.602 54.602 56.455 -1.853 18701 3988 1 5 . 1 1 98 98 CYS CB C 98 29.042 29.042 29.582 -0.540 18701 3989 1 5 . 1 1 98 98 CYS H H 98 8.227 8.227 8.802 -0.575 18701 3990 1 5 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.470 0.273 18701 3991 1 5 . 1 1 99 99 PRO C C 99 177.492 177.492 176.758 0.734 18701 3992 1 5 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.577 0.002 18701 3993 1 5 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.703 -0.242 18701 3994 1 5 . 1 1 100 100 ASP N N 100 120.420 120.420 118.883 1.537 18701 3995 1 5 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.481 -0.263 18701 3996 1 5 . 1 1 100 100 ASP C C 100 176.993 176.993 176.400 0.593 18701 3997 1 5 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.469 0.900 18701 3998 1 5 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.624 0.058 18701 3999 1 5 . 1 1 100 100 ASP H H 100 8.584 8.584 8.571 0.013 18701 4000 1 5 . 1 1 101 101 ASN N N 101 112.580 112.580 117.271 -4.691 18701 4001 1 5 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.665 0.126 18701 4002 1 5 . 1 1 101 101 ASN C C 101 175.256 175.256 174.429 0.827 18701 4003 1 5 . 1 1 101 101 ASN CA C 101 52.784 52.784 53.157 -0.373 18701 4004 1 5 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.953 -0.875 18701 4005 1 5 . 1 1 101 101 ASN H H 101 8.055 8.055 8.098 -0.043 18701 4006 1 5 . 1 1 102 102 ALA N N 102 123.140 123.140 124.178 -1.038 18701 4007 1 5 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.331 0.210 18701 4008 1 5 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.698 0.849 18701 4009 1 5 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.251 -0.849 18701 4010 1 5 . 1 1 102 102 ALA H H 102 7.207 7.207 7.090 0.117 18701 4011 1 5 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.446 -0.014 18701 4012 1 5 . 1 1 103 103 PRO C C 103 178.208 178.208 177.843 0.365 18701 4013 1 5 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.733 0.414 18701 4014 1 5 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.570 -0.190 18701 4015 1 5 . 1 1 104 104 VAL N N 104 125.953 125.953 124.323 1.630 18701 4016 1 5 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.558 0.038 18701 4017 1 5 . 1 1 104 104 VAL C C 104 177.210 177.210 178.301 -1.091 18701 4018 1 5 . 1 1 104 104 VAL CA C 104 66.893 66.893 67.453 -0.560 18701 4019 1 5 . 1 1 104 104 VAL CB C 104 31.973 31.973 32.038 -0.066 18701 4020 1 5 . 1 1 104 104 VAL H H 104 8.747 8.747 8.601 0.146 18701 4021 1 5 . 1 1 105 105 ARG N N 105 118.556 118.556 119.229 -0.673 18701 4022 1 5 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.133 -0.048 18701 4023 1 5 . 1 1 105 105 ARG C C 105 179.185 179.185 178.656 0.529 18701 4024 1 5 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.325 0.323 18701 4025 1 5 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.280 0.414 18701 4026 1 5 . 1 1 105 105 ARG H H 105 8.866 8.866 8.478 0.388 18701 4027 1 5 . 1 1 106 106 ARG N N 106 118.188 118.188 119.597 -1.409 18701 4028 1 5 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.196 0.022 18701 4029 1 5 . 1 1 106 106 ARG C C 106 177.991 177.991 178.425 -0.434 18701 4030 1 5 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.235 -0.656 18701 4031 1 5 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.103 -0.002 18701 4032 1 5 . 1 1 106 106 ARG H H 106 7.140 7.140 7.640 -0.500 18701 4033 1 5 . 1 1 107 107 ARG N N 107 119.484 119.484 119.294 0.190 18701 4034 1 5 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.358 -0.343 18701 4035 1 5 . 1 1 107 107 ARG C C 107 179.424 179.424 178.762 0.662 18701 4036 1 5 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.413 2.212 18701 4037 1 5 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.309 0.954 18701 4038 1 5 . 1 1 107 107 ARG H H 107 8.246 8.246 8.759 -0.513 18701 4039 1 5 . 1 1 108 108 MET N N 108 117.193 117.193 121.021 -3.828 18701 4040 1 5 . 1 1 108 108 MET HA H 108 4.218 4.218 4.279 -0.061 18701 4041 1 5 . 1 1 108 108 MET C C 108 178.968 178.968 177.830 1.138 18701 4042 1 5 . 1 1 108 108 MET CA C 108 58.671 58.671 58.033 0.638 18701 4043 1 5 . 1 1 108 108 MET CB C 108 32.380 32.380 32.244 0.136 18701 4044 1 5 . 1 1 108 108 MET H H 108 8.599 8.599 8.108 0.491 18701 4045 1 5 . 1 1 109 109 LEU N N 109 123.421 123.421 119.726 3.695 18701 4046 1 5 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.931 0.263 18701 4047 1 5 . 1 1 109 109 LEU C C 109 180.444 180.444 179.117 1.327 18701 4048 1 5 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.678 0.505 18701 4049 1 5 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.325 1.067 18701 4050 1 5 . 1 1 109 109 LEU H H 109 7.924 7.924 7.786 0.138 18701 4051 1 5 . 1 1 110 110 TYR N N 110 120.798 120.798 120.896 -0.098 18701 4052 1 5 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.133 0.060 18701 4053 1 5 . 1 1 110 110 TYR C C 110 180.574 180.574 177.905 2.669 18701 4054 1 5 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.049 0.553 18701 4055 1 5 . 1 1 110 110 TYR CB C 110 37.833 37.833 37.888 -0.055 18701 4056 1 5 . 1 1 110 110 TYR H H 110 8.761 8.761 8.215 0.546 18701 4057 1 5 . 1 1 111 111 ALA N N 111 123.703 123.703 120.846 2.857 18701 4058 1 5 . 1 1 111 111 ALA HA H 111 4.362 4.362 3.422 0.940 18701 4059 1 5 . 1 1 111 111 ALA C C 111 180.314 180.314 180.027 0.287 18701 4060 1 5 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.612 1.048 18701 4061 1 5 . 1 1 111 111 ALA CB C 111 18.461 18.461 17.874 0.587 18701 4062 1 5 . 1 1 111 111 ALA H H 111 8.668 8.668 7.987 0.681 18701 4063 1 5 . 1 1 112 112 SER N N 112 112.404 112.404 114.876 -2.472 18701 4064 1 5 . 1 1 112 112 SER HA H 112 4.360 4.360 4.161 0.199 18701 4065 1 5 . 1 1 112 112 SER C C 112 176.949 176.949 176.702 0.247 18701 4066 1 5 . 1 1 112 112 SER CA C 112 60.869 60.869 61.503 -0.634 18701 4067 1 5 . 1 1 112 112 SER CB C 112 63.474 63.474 63.195 0.279 18701 4068 1 5 . 1 1 112 112 SER H H 112 8.532 8.532 8.104 0.428 18701 4069 1 5 . 1 1 113 113 SER N N 113 115.828 115.828 116.139 -0.311 18701 4070 1 5 . 1 1 113 113 SER HA H 113 4.552 4.552 4.200 0.352 18701 4071 1 5 . 1 1 113 113 SER C C 113 173.390 173.390 175.675 -2.285 18701 4072 1 5 . 1 1 113 113 SER CA C 113 60.218 60.218 60.254 -0.036 18701 4073 1 5 . 1 1 113 113 SER CB C 113 63.393 63.393 62.095 1.298 18701 4074 1 5 . 1 1 113 113 SER H H 113 7.607 7.607 8.174 -0.567 18701 4075 1 5 . 1 1 114 114 VAL N N 114 119.484 119.484 122.743 -3.259 18701 4076 1 5 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.437 -0.080 18701 4077 1 5 . 1 1 114 114 VAL C C 114 176.016 176.016 177.309 -1.293 18701 4078 1 5 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.899 -2.285 18701 4079 1 5 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.200 0.691 18701 4080 1 5 . 1 1 114 114 VAL H H 114 6.999 6.999 7.152 -0.153 18701 4081 1 5 . 1 1 115 115 ARG N N 115 121.686 121.686 118.618 3.068 18701 4082 1 5 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.973 -0.273 18701 4083 1 5 . 1 1 115 115 ARG C C 115 178.360 178.360 177.325 1.035 18701 4084 1 5 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.326 1.566 18701 4085 1 5 . 1 1 115 115 ARG CB C 115 29.205 29.205 28.777 0.428 18701 4086 1 5 . 1 1 115 115 ARG H H 115 7.740 7.740 7.865 -0.125 18701 4087 1 5 . 1 1 116 116 ALA N N 116 121.346 121.346 121.380 -0.034 18701 4088 1 5 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.244 -0.205 18701 4089 1 5 . 1 1 116 116 ALA C C 116 180.335 180.335 179.268 1.067 18701 4090 1 5 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.096 0.668 18701 4091 1 5 . 1 1 116 116 ALA CB C 116 17.891 17.891 19.244 -1.353 18701 4092 1 5 . 1 1 116 116 ALA H H 116 7.737 7.737 7.398 0.339 18701 4093 1 5 . 1 1 117 117 LEU N N 117 119.203 119.203 116.568 2.635 18701 4094 1 5 . 1 1 117 117 LEU HA H 117 3.655 3.655 4.118 -0.463 18701 4095 1 5 . 1 1 117 117 LEU C C 117 177.449 177.449 178.411 -0.962 18701 4096 1 5 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.648 0.209 18701 4097 1 5 . 1 1 117 117 LEU CB C 117 41.578 41.578 41.228 0.349 18701 4098 1 5 . 1 1 117 117 LEU H H 117 6.785 6.785 8.200 -1.415 18701 4099 1 5 . 1 1 118 118 LYS N N 118 114.804 114.804 120.078 -5.274 18701 4100 1 5 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.581 0.781 18701 4101 1 5 . 1 1 118 118 LYS C C 118 178.686 178.686 177.616 1.070 18701 4102 1 5 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.092 0.882 18701 4103 1 5 . 1 1 118 118 LYS CB C 118 32.461 32.461 31.964 0.497 18701 4104 1 5 . 1 1 118 118 LYS H H 118 8.132 8.132 7.541 0.591 18701 4105 1 5 . 1 1 119 119 ALA N N 119 119.833 119.833 120.268 -0.435 18701 4106 1 5 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.551 -0.394 18701 4107 1 5 . 1 1 119 119 ALA C C 119 180.183 180.183 179.531 0.652 18701 4108 1 5 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.383 0.056 18701 4109 1 5 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.180 0.199 18701 4110 1 5 . 1 1 119 119 ALA H H 119 8.068 8.068 7.782 0.286 18701 4111 1 5 . 1 1 120 120 SER N N 120 112.312 112.312 113.889 -1.577 18701 4112 1 5 . 1 1 120 120 SER HA H 120 4.073 4.073 4.184 -0.111 18701 4113 1 5 . 1 1 120 120 SER C C 120 175.799 175.799 175.824 -0.025 18701 4114 1 5 . 1 1 120 120 SER CA C 120 61.602 61.602 60.423 1.179 18701 4115 1 5 . 1 1 120 120 SER CB C 120 63.555 63.555 63.244 0.311 18701 4116 1 5 . 1 1 120 120 SER H H 120 7.713 7.713 7.459 0.254 18701 4117 1 5 . 1 1 121 121 LEU N N 121 116.812 116.812 118.616 -1.804 18701 4118 1 5 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.296 -0.211 18701 4119 1 5 . 1 1 121 121 LEU C C 121 176.125 176.125 176.215 -0.090 18701 4120 1 5 . 1 1 121 121 LEU CA C 121 55.904 55.904 54.121 1.783 18701 4121 1 5 . 1 1 121 121 LEU CB C 121 41.252 41.252 42.486 -1.234 18701 4122 1 5 . 1 1 121 121 LEU H H 121 7.272 7.272 7.463 -0.191 18701 4123 1 5 . 1 1 122 122 GLY N N 122 108.734 108.734 107.193 1.541 18701 4124 1 5 . 1 1 122 122 GLY C C 122 176.754 176.754 174.876 1.878 18701 4125 1 5 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.488 1.788 18701 4126 1 5 . 1 1 122 122 GLY H H 122 7.377 7.377 7.316 0.061 18701 4127 1 5 . 1 1 123 123 LEU N N 123 116.950 116.950 118.226 -1.276 18701 4128 1 5 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.686 -0.541 18701 4129 1 5 . 1 1 123 123 LEU C C 123 178.187 178.187 177.722 0.465 18701 4130 1 5 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.937 0.013 18701 4131 1 5 . 1 1 123 123 LEU CB C 123 41.903 41.903 41.625 0.278 18701 4132 1 5 . 1 1 123 123 LEU H H 123 8.201 8.201 8.011 0.190 18701 4133 1 5 . 1 1 124 124 GLU N N 124 120.328 120.328 121.548 -1.220 18701 4134 1 5 . 1 1 124 124 GLU HA H 124 3.704 3.704 4.031 -0.327 18701 4135 1 5 . 1 1 124 124 GLU C C 124 176.970 176.970 177.670 -0.700 18701 4136 1 5 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.344 1.118 18701 4137 1 5 . 1 1 124 124 GLU CB C 124 29.205 29.205 28.967 0.238 18701 4138 1 5 . 1 1 124 124 GLU H H 124 9.213 9.213 8.661 0.552 18701 4139 1 5 . 1 1 125 125 SER N N 125 110.938 110.938 113.766 -2.828 18701 4140 1 5 . 1 1 125 125 SER HA H 125 4.456 4.456 4.529 -0.073 18701 4141 1 5 . 1 1 125 125 SER C C 125 174.475 174.475 173.871 0.604 18701 4142 1 5 . 1 1 125 125 SER CA C 125 58.590 58.590 57.691 0.899 18701 4143 1 5 . 1 1 125 125 SER CB C 125 63.555 63.555 63.094 0.461 18701 4144 1 5 . 1 1 125 125 SER H H 125 8.308 8.308 8.371 -0.063 18701 4145 1 5 . 1 1 126 126 LEU N N 126 121.193 121.193 120.561 0.632 18701 4146 1 5 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.295 0.174 18701 4147 1 5 . 1 1 126 126 LEU C C 126 177.774 177.774 176.215 1.559 18701 4148 1 5 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.409 1.518 18701 4149 1 5 . 1 1 126 126 LEU CB C 126 42.066 42.066 43.488 -1.422 18701 4150 1 5 . 1 1 126 126 LEU H H 126 7.178 7.178 7.306 -0.128 18701 4151 1 5 . 1 1 127 127 PHE N N 127 125.109 125.109 117.435 7.674 18701 4152 1 5 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.806 -0.458 18701 4153 1 5 . 1 1 127 127 PHE C C 127 173.542 173.542 174.770 -1.228 18701 4154 1 5 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.005 2.811 18701 4155 1 5 . 1 1 127 127 PHE CB C 127 39.950 39.950 41.523 -1.573 18701 4156 1 5 . 1 1 127 127 PHE H H 127 9.050 9.050 8.067 0.983 18701 4157 1 5 . 1 1 128 128 GLN N N 128 125.953 125.953 121.562 4.391 18701 4158 1 5 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.448 0.062 18701 4159 1 5 . 1 1 128 128 GLN C C 128 174.736 174.736 174.518 0.218 18701 4160 1 5 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.846 -1.314 18701 4161 1 5 . 1 1 128 128 GLN CB C 128 31.973 31.973 32.696 -0.723 18701 4162 1 5 . 1 1 128 128 GLN H H 128 7.618 7.618 8.787 -1.169 18701 4163 1 5 . 1 1 129 129 VAL N N 129 123.703 123.703 127.865 -4.162 18701 4164 1 5 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.446 -0.371 18701 4165 1 5 . 1 1 129 129 VAL C C 129 174.736 174.736 174.400 0.336 18701 4166 1 5 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.896 0.543 18701 4167 1 5 . 1 1 129 129 VAL CB C 129 34.984 34.984 33.240 1.744 18701 4168 1 5 . 1 1 129 129 VAL H H 129 8.948 8.948 9.425 -0.477 18701 4169 1 5 . 1 1 130 130 GLN N N 130 129.187 129.187 126.338 2.849 18701 4170 1 5 . 1 1 130 130 GLN HA H 130 4.731 4.731 5.007 -0.276 18701 4171 1 5 . 1 1 130 130 GLN C C 130 173.780 173.780 174.672 -0.892 18701 4172 1 5 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.212 0.797 18701 4173 1 5 . 1 1 130 130 GLN CB C 130 28.391 28.391 28.341 0.050 18701 4174 1 5 . 1 1 130 130 GLN H H 130 8.988 8.988 8.594 0.394 18701 4175 1 5 . 1 1 131 131 ALA N N 131 127.359 127.359 129.639 -2.280 18701 4176 1 5 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.090 -0.274 18701 4177 1 5 . 1 1 131 131 ALA C C 131 174.909 174.909 176.990 -2.081 18701 4178 1 5 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.106 0.659 18701 4179 1 5 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.043 1.708 18701 4180 1 5 . 1 1 131 131 ALA H H 131 8.663 8.663 8.544 0.119 18701 4181 1 5 . 1 1 132 132 SER N N 132 116.281 116.281 119.485 -3.204 18701 4182 1 5 . 1 1 132 132 SER HA H 132 4.085 4.085 4.225 -0.140 18701 4183 1 5 . 1 1 132 132 SER C C 132 172.087 172.087 174.246 -2.159 18701 4184 1 5 . 1 1 132 132 SER CA C 132 57.667 57.667 59.988 -2.321 18701 4185 1 5 . 1 1 132 132 SER CB C 132 65.916 65.916 63.819 2.097 18701 4186 1 5 . 1 1 132 132 SER H H 132 9.369 9.369 8.705 0.664 18701 4187 1 5 . 1 1 133 133 GLU N N 133 119.487 119.487 117.659 1.828 18701 4188 1 5 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.697 0.130 18701 4189 1 5 . 1 1 133 133 GLU C C 133 177.666 177.666 177.851 -0.185 18701 4190 1 5 . 1 1 133 133 GLU CA C 133 54.998 54.998 54.521 0.477 18701 4191 1 5 . 1 1 133 133 GLU CB C 133 33.112 33.112 31.278 1.834 18701 4192 1 5 . 1 1 133 133 GLU H H 133 7.739 7.739 7.734 0.005 18701 4193 1 5 . 1 1 134 134 MET N N 134 122.237 122.237 117.413 4.824 18701 4194 1 5 . 1 1 134 134 MET HA H 134 4.529 4.529 4.411 0.118 18701 4195 1 5 . 1 1 134 134 MET C C 134 180.856 180.856 176.284 4.572 18701 4196 1 5 . 1 1 134 134 MET CA C 134 56.593 56.593 57.776 -1.183 18701 4197 1 5 . 1 1 134 134 MET CB C 134 29.042 29.042 32.205 -3.163 18701 4198 1 5 . 1 1 134 134 MET H H 134 9.143 9.143 8.935 0.208 18701 4199 1 5 . 1 1 135 135 SER N N 135 116.214 116.214 113.902 2.312 18701 4200 1 5 . 1 1 135 135 SER HA H 135 4.205 4.205 4.664 -0.459 18701 4201 1 5 . 1 1 135 135 SER C C 135 176.993 176.993 175.289 1.704 18701 4202 1 5 . 1 1 135 135 SER CA C 135 61.216 61.216 59.285 1.931 18701 4203 1 5 . 1 1 135 135 SER CB C 135 62.253 62.253 63.069 -0.816 18701 4204 1 5 . 1 1 135 135 SER H H 135 8.659 8.659 8.040 0.619 18701 4205 1 5 . 1 1 136 136 ASP N N 136 122.296 122.296 121.700 0.596 18701 4206 1 5 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.618 -0.065 18701 4207 1 5 . 1 1 136 136 ASP C C 136 175.647 175.647 177.199 -1.552 18701 4208 1 5 . 1 1 136 136 ASP CA C 136 56.881 56.881 56.061 0.820 18701 4209 1 5 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.506 0.153 18701 4210 1 5 . 1 1 136 136 ASP H H 136 7.861 7.861 7.907 -0.046 18701 4211 1 5 . 1 1 137 137 LEU N N 137 113.859 113.859 114.514 -0.655 18701 4212 1 5 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.551 -0.034 18701 4213 1 5 . 1 1 137 137 LEU C C 137 176.038 176.038 176.207 -0.169 18701 4214 1 5 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.986 -1.768 18701 4215 1 5 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.342 0.480 18701 4216 1 5 . 1 1 137 137 LEU H H 137 7.617 7.617 7.331 0.286 18701 4217 1 5 . 1 1 138 138 ASP N N 138 119.906 119.906 121.080 -1.174 18701 4218 1 5 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.503 -0.178 18701 4219 1 5 . 1 1 138 138 ASP C C 138 175.842 175.842 177.582 -1.740 18701 4220 1 5 . 1 1 138 138 ASP CA C 138 55.985 55.985 55.576 0.409 18701 4221 1 5 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.495 0.792 18701 4222 1 5 . 1 1 138 138 ASP H H 138 7.119 7.119 7.296 -0.177 18701 4223 1 5 . 1 1 139 139 GLU N N 139 128.062 128.062 123.553 4.509 18701 4224 1 5 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.849 -0.540 18701 4225 1 5 . 1 1 139 139 GLU C C 139 177.275 177.275 177.816 -0.541 18701 4226 1 5 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.963 1.336 18701 4227 1 5 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.373 1.135 18701 4228 1 5 . 1 1 139 139 GLU H H 139 8.943 8.943 8.841 0.102 18701 4229 1 5 . 1 1 140 140 LYS N N 140 115.993 115.993 118.900 -2.907 18701 4230 1 5 . 1 1 140 140 LYS HA H 140 3.894 3.894 4.009 -0.115 18701 4231 1 5 . 1 1 140 140 LYS C C 140 179.771 179.771 178.207 1.564 18701 4232 1 5 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.749 0.806 18701 4233 1 5 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.157 0.816 18701 4234 1 5 . 1 1 140 140 LYS H H 140 8.243 8.243 8.260 -0.017 18701 4235 1 5 . 1 1 141 141 SER N N 141 116.877 116.877 116.279 0.598 18701 4236 1 5 . 1 1 141 141 SER HA H 141 4.184 4.184 4.558 -0.374 18701 4237 1 5 . 1 1 141 141 SER C C 141 175.973 175.973 176.306 -0.333 18701 4238 1 5 . 1 1 141 141 SER CA C 141 61.737 61.737 60.916 0.821 18701 4239 1 5 . 1 1 141 141 SER CB C 141 62.986 62.986 64.676 -1.690 18701 4240 1 5 . 1 1 141 141 SER H H 141 7.856 7.856 7.972 -0.116 18701 4241 1 5 . 1 1 142 142 VAL N N 142 121.874 121.874 122.552 -0.678 18701 4242 1 5 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.697 0.079 18701 4243 1 5 . 1 1 142 142 VAL C C 142 178.165 178.165 177.459 0.706 18701 4244 1 5 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.120 -0.389 18701 4245 1 5 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.064 1.317 18701 4246 1 5 . 1 1 142 142 VAL H H 142 8.476 8.476 7.565 0.911 18701 4247 1 5 . 1 1 143 143 LYS N N 143 116.141 116.141 119.876 -3.735 18701 4248 1 5 . 1 1 143 143 LYS HA H 143 3.619 3.619 4.023 -0.404 18701 4249 1 5 . 1 1 143 143 LYS C C 143 178.512 178.512 179.112 -0.600 18701 4250 1 5 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.258 2.018 18701 4251 1 5 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.904 0.232 18701 4252 1 5 . 1 1 143 143 LYS H H 143 8.157 8.157 7.596 0.560 18701 4253 1 5 . 1 1 144 144 SER N N 144 113.862 113.862 115.738 -1.876 18701 4254 1 5 . 1 1 144 144 SER HA H 144 4.158 4.158 4.102 0.056 18701 4255 1 5 . 1 1 144 144 SER C C 144 177.340 177.340 176.042 1.298 18701 4256 1 5 . 1 1 144 144 SER CA C 144 61.769 61.769 62.325 -0.556 18701 4257 1 5 . 1 1 144 144 SER CB C 144 62.986 62.986 62.911 0.075 18701 4258 1 5 . 1 1 144 144 SER H H 144 7.754 7.754 7.764 -0.010 18701 4259 1 5 . 1 1 145 145 ASP N N 145 123.316 123.316 122.660 0.656 18701 4260 1 5 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.360 0.048 18701 4261 1 5 . 1 1 145 145 ASP C C 145 178.708 178.708 178.009 0.699 18701 4262 1 5 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.426 -0.057 18701 4263 1 5 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.084 -0.890 18701 4264 1 5 . 1 1 145 145 ASP H H 145 8.172 8.172 8.244 -0.072 18701 4265 1 5 . 1 1 146 146 LEU N N 146 121.453 121.453 116.492 4.961 18701 4266 1 5 . 1 1 146 146 LEU HA H 146 3.058 3.058 3.407 -0.349 18701 4267 1 5 . 1 1 146 146 LEU C C 146 178.447 178.447 178.212 0.235 18701 4268 1 5 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.027 0.342 18701 4269 1 5 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.252 1.384 18701 4270 1 5 . 1 1 146 146 LEU H H 146 8.186 8.186 7.490 0.696 18701 4271 1 5 . 1 1 147 147 MET N N 147 115.468 115.468 118.550 -3.082 18701 4272 1 5 . 1 1 147 147 MET HA H 147 4.314 4.314 4.028 0.286 18701 4273 1 5 . 1 1 147 147 MET C C 147 177.839 177.839 177.713 0.126 18701 4274 1 5 . 1 1 147 147 MET CA C 147 56.311 56.311 59.087 -2.776 18701 4275 1 5 . 1 1 147 147 MET CB C 147 31.891 31.891 32.675 -0.784 18701 4276 1 5 . 1 1 147 147 MET H H 147 7.622 7.622 7.846 -0.224 18701 4277 1 5 . 1 1 148 148 SER N N 148 115.203 115.203 116.085 -0.882 18701 4278 1 5 . 1 1 148 148 SER HA H 148 4.338 4.338 4.225 0.113 18701 4279 1 5 . 1 1 148 148 SER C C 148 174.953 174.953 176.325 -1.372 18701 4280 1 5 . 1 1 148 148 SER CA C 148 60.137 60.137 62.283 -2.146 18701 4281 1 5 . 1 1 148 148 SER CB C 148 63.637 63.637 63.174 0.463 18701 4282 1 5 . 1 1 148 148 SER H H 148 7.836 7.836 7.852 -0.016 18701 4283 1 5 . 1 1 149 149 ASN N N 149 119.635 119.635 119.360 0.275 18701 4284 1 5 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.673 0.010 18701 4285 1 5 . 1 1 149 149 ASN C C 149 174.953 174.953 177.092 -2.139 18701 4286 1 5 . 1 1 149 149 ASN CA C 149 54.439 54.439 54.114 0.325 18701 4287 1 5 . 1 1 149 149 ASN CB C 149 39.706 39.706 38.068 1.638 18701 4288 1 5 . 1 1 149 149 ASN H H 149 8.040 8.040 8.408 -0.368 18701 4289 1 5 . 1 1 150 150 GLN N N 150 118.805 118.805 119.385 -0.580 18701 4290 1 5 . 1 1 150 150 GLN HA H 150 4.313 4.313 4.206 0.107 18701 4291 1 5 . 1 1 150 150 GLN C C 150 175.365 175.365 176.595 -1.230 18701 4292 1 5 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.608 -2.785 18701 4293 1 5 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.120 0.167 18701 4294 1 5 . 1 1 150 150 GLN H H 150 8.041 8.041 8.050 -0.009 18701 4295 1 5 . 1 1 151 151 ARG N N 151 122.082 122.082 118.774 3.308 18701 4296 1 5 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.618 -0.256 18701 4297 1 5 . 1 1 151 151 ARG C C 151 175.213 175.213 174.411 0.802 18701 4298 1 5 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.304 1.028 18701 4299 1 5 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.215 0.211 18701 4300 1 5 . 1 1 151 151 ARG H H 151 8.221 8.221 7.639 0.582 18701 4301 1 6 . 1 1 2 2 ALA N N 2 126.155 126.155 125.297 0.858 18701 4302 1 6 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.593 -0.251 18701 4303 1 6 . 1 1 2 2 ALA C C 2 177.458 177.458 175.604 1.854 18701 4304 1 6 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.758 0.058 18701 4305 1 6 . 1 1 2 2 ALA CB C 2 19.437 19.437 20.353 -0.916 18701 4306 1 6 . 1 1 2 2 ALA H H 2 8.404 8.404 8.081 0.323 18701 4307 1 6 . 1 1 3 3 SER N N 3 115.406 115.406 111.831 3.575 18701 4308 1 6 . 1 1 3 3 SER HA H 3 4.409 4.409 4.720 -0.311 18701 4309 1 6 . 1 1 3 3 SER C C 3 174.739 174.739 174.666 0.073 18701 4310 1 6 . 1 1 3 3 SER CA C 3 58.346 58.346 57.096 1.250 18701 4311 1 6 . 1 1 3 3 SER CB C 3 64.207 64.207 64.847 -0.640 18701 4312 1 6 . 1 1 3 3 SER H H 3 8.283 8.283 7.739 0.544 18701 4313 1 6 . 1 1 4 4 GLY N N 4 110.853 110.853 107.111 3.742 18701 4314 1 6 . 1 1 4 4 GLY C C 4 173.502 173.502 173.955 -0.453 18701 4315 1 6 . 1 1 4 4 GLY CA C 4 45.078 45.078 45.073 0.005 18701 4316 1 6 . 1 1 4 4 GLY H H 4 8.358 8.358 8.362 -0.004 18701 4317 1 6 . 1 1 5 5 VAL N N 5 119.781 119.781 122.551 -2.770 18701 4318 1 6 . 1 1 5 5 VAL HA H 5 3.883 3.883 3.973 -0.090 18701 4319 1 6 . 1 1 5 5 VAL C C 5 175.390 175.390 175.571 -0.181 18701 4320 1 6 . 1 1 5 5 VAL CA C 5 62.518 62.518 61.853 0.665 18701 4321 1 6 . 1 1 5 5 VAL CB C 5 32.705 32.705 32.396 0.309 18701 4322 1 6 . 1 1 5 5 VAL H H 5 7.836 7.836 7.823 0.013 18701 4323 1 6 . 1 1 6 6 LYS N N 6 124.873 124.873 129.429 -4.556 18701 4324 1 6 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.429 0.040 18701 4325 1 6 . 1 1 6 6 LYS C C 6 175.278 175.278 175.117 0.161 18701 4326 1 6 . 1 1 6 6 LYS CA C 6 54.927 54.927 55.451 -0.524 18701 4327 1 6 . 1 1 6 6 LYS CB C 6 34.577 34.577 34.023 0.554 18701 4328 1 6 . 1 1 6 6 LYS H H 6 7.988 7.988 7.890 0.098 18701 4329 1 6 . 1 1 7 7 VAL N N 7 122.213 122.213 117.815 4.398 18701 4330 1 6 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.214 -0.331 18701 4331 1 6 . 1 1 7 7 VAL C C 7 175.756 175.756 174.858 0.898 18701 4332 1 6 . 1 1 7 7 VAL CA C 7 62.334 62.334 60.259 2.075 18701 4333 1 6 . 1 1 7 7 VAL CB C 7 32.054 32.054 33.227 -1.173 18701 4334 1 6 . 1 1 7 7 VAL H H 7 8.757 8.757 8.028 0.729 18701 4335 1 6 . 1 1 8 8 ASP N N 8 131.718 131.718 126.059 5.659 18701 4336 1 6 . 1 1 8 8 ASP HA H 8 4.673 4.673 5.145 -0.472 18701 4337 1 6 . 1 1 8 8 ASP C C 8 176.237 176.237 175.735 0.502 18701 4338 1 6 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.564 3.875 18701 4339 1 6 . 1 1 8 8 ASP CB C 8 44.590 44.590 42.274 2.316 18701 4340 1 6 . 1 1 8 8 ASP H H 8 8.820 8.820 8.085 0.735 18701 4341 1 6 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.242 0.142 18701 4342 1 6 . 1 1 9 9 PRO C C 9 177.535 177.535 177.890 -0.355 18701 4343 1 6 . 1 1 9 9 PRO CA C 9 65.509 65.509 65.048 0.461 18701 4344 1 6 . 1 1 9 9 PRO CB C 9 32.054 32.054 31.905 0.149 18701 4345 1 6 . 1 1 10 10 SER N N 10 113.842 113.842 115.277 -1.435 18701 4346 1 6 . 1 1 10 10 SER HA H 10 4.265 4.265 4.284 -0.019 18701 4347 1 6 . 1 1 10 10 SER C C 10 177.666 177.666 176.584 1.082 18701 4348 1 6 . 1 1 10 10 SER CA C 10 61.541 61.541 61.877 -0.336 18701 4349 1 6 . 1 1 10 10 SER CB C 10 62.660 62.660 62.702 -0.042 18701 4350 1 6 . 1 1 10 10 SER H H 10 8.811 8.811 8.672 0.139 18701 4351 1 6 . 1 1 11 11 CYS N N 11 121.231 121.231 119.083 2.148 18701 4352 1 6 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.504 -0.358 18701 4353 1 6 . 1 1 11 11 CYS C C 11 176.211 176.211 176.564 -0.353 18701 4354 1 6 . 1 1 11 11 CYS CA C 11 62.986 62.986 61.905 1.081 18701 4355 1 6 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.233 0.263 18701 4356 1 6 . 1 1 11 11 CYS H H 11 8.459 8.459 8.301 0.158 18701 4357 1 6 . 1 1 12 12 LYS N N 12 119.862 119.862 121.783 -1.921 18701 4358 1 6 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.100 -0.154 18701 4359 1 6 . 1 1 12 12 LYS C C 12 177.687 177.687 178.405 -0.718 18701 4360 1 6 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.473 0.768 18701 4361 1 6 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.972 0.489 18701 4362 1 6 . 1 1 12 12 LYS H H 12 7.615 7.615 7.835 -0.220 18701 4363 1 6 . 1 1 13 13 ASN N N 13 116.871 116.871 118.549 -1.678 18701 4364 1 6 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.474 -0.006 18701 4365 1 6 . 1 1 13 13 ASN C C 13 177.297 177.297 177.366 -0.069 18701 4366 1 6 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.725 -0.088 18701 4367 1 6 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.591 -0.106 18701 4368 1 6 . 1 1 13 13 ASN H H 13 7.489 7.489 8.385 -0.896 18701 4369 1 6 . 1 1 14 14 ALA N N 14 119.990 119.990 121.292 -1.302 18701 4370 1 6 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.168 0.073 18701 4371 1 6 . 1 1 14 14 ALA C C 14 179.077 179.077 178.781 0.296 18701 4372 1 6 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.362 1.216 18701 4373 1 6 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.740 -0.279 18701 4374 1 6 . 1 1 14 14 ALA H H 14 8.054 8.054 7.723 0.331 18701 4375 1 6 . 1 1 15 15 TYR N N 15 118.280 118.280 120.139 -1.859 18701 4376 1 6 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.217 -0.166 18701 4377 1 6 . 1 1 15 15 TYR C C 15 177.123 177.123 177.022 0.101 18701 4378 1 6 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.763 0.978 18701 4379 1 6 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.554 0.907 18701 4380 1 6 . 1 1 15 15 TYR H H 15 8.380 8.380 7.946 0.434 18701 4381 1 6 . 1 1 16 16 ASP N N 16 121.008 121.008 119.168 1.840 18701 4382 1 6 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.364 -0.062 18701 4383 1 6 . 1 1 16 16 ASP C C 16 179.185 179.185 178.319 0.866 18701 4384 1 6 . 1 1 16 16 ASP CA C 16 58.102 58.102 57.592 0.510 18701 4385 1 6 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.425 -0.068 18701 4386 1 6 . 1 1 16 16 ASP H H 16 8.722 8.722 8.235 0.487 18701 4387 1 6 . 1 1 17 17 LEU N N 17 119.368 119.368 118.618 0.750 18701 4388 1 6 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.240 -0.373 18701 4389 1 6 . 1 1 17 17 LEU C C 17 178.708 178.708 179.242 -0.534 18701 4390 1 6 . 1 1 17 17 LEU CA C 17 58.102 58.102 57.740 0.361 18701 4391 1 6 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.587 0.479 18701 4392 1 6 . 1 1 17 17 LEU H H 17 7.477 7.477 7.453 0.024 18701 4393 1 6 . 1 1 18 18 LEU N N 18 121.503 121.503 117.279 4.224 18701 4394 1 6 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.652 -0.554 18701 4395 1 6 . 1 1 18 18 LEU C C 18 176.580 176.580 179.128 -2.548 18701 4396 1 6 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.985 1.917 18701 4397 1 6 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.123 2.502 18701 4398 1 6 . 1 1 18 18 LEU H H 18 7.762 7.762 7.827 -0.065 18701 4399 1 6 . 1 1 19 19 HIS N N 19 116.605 116.605 119.056 -2.451 18701 4400 1 6 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.520 -0.779 18701 4401 1 6 . 1 1 19 19 HIS C C 19 174.627 174.627 176.578 -1.951 18701 4402 1 6 . 1 1 19 19 HIS CA C 19 58.904 58.904 58.904 0.000 18701 4403 1 6 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.038 -0.020 18701 4404 1 6 . 1 1 19 19 HIS H H 19 8.983 8.983 8.719 0.264 18701 4405 1 6 . 1 1 20 20 ASN N N 20 112.497 112.497 117.342 -4.845 18701 4406 1 6 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.269 0.296 18701 4407 1 6 . 1 1 20 20 ASN C C 20 176.624 176.624 176.691 -0.067 18701 4408 1 6 . 1 1 20 20 ASN CA C 20 54.195 54.195 55.497 -1.302 18701 4409 1 6 . 1 1 20 20 ASN CB C 20 38.580 38.580 38.393 0.187 18701 4410 1 6 . 1 1 20 20 ASN H H 20 8.308 8.308 7.937 0.371 18701 4411 1 6 . 1 1 21 21 LYS N N 21 113.544 113.544 116.917 -3.373 18701 4412 1 6 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.307 0.101 18701 4413 1 6 . 1 1 21 21 LYS C C 21 175.669 175.669 176.095 -0.426 18701 4414 1 6 . 1 1 21 21 LYS CA C 21 55.291 55.291 55.419 -0.128 18701 4415 1 6 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.977 0.298 18701 4416 1 6 . 1 1 21 21 LYS H H 21 6.621 6.621 7.598 -0.977 18701 4417 1 6 . 1 1 22 22 HIS N N 22 115.701 115.701 116.301 -0.600 18701 4418 1 6 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.439 0.280 18701 4419 1 6 . 1 1 22 22 HIS C C 22 174.670 174.670 174.832 -0.162 18701 4420 1 6 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.269 0.063 18701 4421 1 6 . 1 1 22 22 HIS CB C 22 25.721 25.721 28.395 -2.674 18701 4422 1 6 . 1 1 22 22 HIS H H 22 6.838 6.838 7.576 -0.738 18701 4423 1 6 . 1 1 23 23 GLN N N 23 114.330 114.330 116.112 -1.782 18701 4424 1 6 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.985 0.030 18701 4425 1 6 . 1 1 23 23 GLN C C 23 174.041 174.041 174.523 -0.482 18701 4426 1 6 . 1 1 23 23 GLN CA C 23 56.311 56.311 57.090 -0.779 18701 4427 1 6 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.407 1.278 18701 4428 1 6 . 1 1 23 23 GLN H H 23 8.028 8.028 8.163 -0.135 18701 4429 1 6 . 1 1 24 24 HIS N N 24 111.043 111.043 114.309 -3.266 18701 4430 1 6 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.754 -0.608 18701 4431 1 6 . 1 1 24 24 HIS C C 24 175.083 175.083 174.074 1.009 18701 4432 1 6 . 1 1 24 24 HIS CA C 24 53.305 53.305 55.191 -1.887 18701 4433 1 6 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.759 0.086 18701 4434 1 6 . 1 1 24 24 HIS H H 24 6.670 6.670 7.452 -0.782 18701 4435 1 6 . 1 1 25 25 SER N N 25 115.307 115.307 113.966 1.341 18701 4436 1 6 . 1 1 25 25 SER HA H 25 4.600 4.600 4.832 -0.232 18701 4437 1 6 . 1 1 25 25 SER C C 25 173.368 173.368 173.387 -0.019 18701 4438 1 6 . 1 1 25 25 SER CA C 25 59.648 59.648 59.322 0.326 18701 4439 1 6 . 1 1 25 25 SER CB C 25 64.532 64.532 65.368 -0.836 18701 4440 1 6 . 1 1 25 25 SER H H 25 7.591 7.591 8.796 -1.205 18701 4441 1 6 . 1 1 26 26 TYR N N 26 111.318 111.318 119.376 -8.058 18701 4442 1 6 . 1 1 26 26 TYR HA H 26 5.354 5.354 4.805 0.549 18701 4443 1 6 . 1 1 26 26 TYR C C 26 173.411 173.411 174.674 -1.263 18701 4444 1 6 . 1 1 26 26 TYR CA C 26 56.392 56.392 57.362 -0.970 18701 4445 1 6 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.313 -0.305 18701 4446 1 6 . 1 1 26 26 TYR H H 26 6.635 6.635 7.874 -1.239 18701 4447 1 6 . 1 1 27 27 ILE N N 27 119.710 119.710 120.344 -0.634 18701 4448 1 6 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.989 -0.460 18701 4449 1 6 . 1 1 27 27 ILE C C 27 174.323 174.323 173.843 0.480 18701 4450 1 6 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.449 1.257 18701 4451 1 6 . 1 1 27 27 ILE CB C 27 44.020 44.020 42.632 1.389 18701 4452 1 6 . 1 1 27 27 ILE H H 27 9.191 9.191 8.240 0.951 18701 4453 1 6 . 1 1 28 28 ILE N N 28 125.249 125.249 124.236 1.013 18701 4454 1 6 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.744 0.060 18701 4455 1 6 . 1 1 28 28 ILE C C 28 174.757 174.757 174.418 0.339 18701 4456 1 6 . 1 1 28 28 ILE CA C 28 60.951 60.951 59.818 1.133 18701 4457 1 6 . 1 1 28 28 ILE CB C 28 40.113 40.113 40.289 -0.176 18701 4458 1 6 . 1 1 28 28 ILE H H 28 9.049 9.049 8.918 0.131 18701 4459 1 6 . 1 1 29 29 PHE N N 29 126.153 126.153 127.720 -1.567 18701 4460 1 6 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.633 0.092 18701 4461 1 6 . 1 1 29 29 PHE C C 29 174.193 174.193 175.056 -0.863 18701 4462 1 6 . 1 1 29 29 PHE CA C 29 55.823 55.823 55.783 0.040 18701 4463 1 6 . 1 1 29 29 PHE CB C 29 42.880 42.880 41.771 1.109 18701 4464 1 6 . 1 1 29 29 PHE H H 29 9.514 9.514 8.922 0.592 18701 4465 1 6 . 1 1 30 30 LYS N N 30 116.531 116.531 120.416 -3.885 18701 4466 1 6 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.985 0.166 18701 4467 1 6 . 1 1 30 30 LYS C C 30 173.411 173.411 174.405 -0.994 18701 4468 1 6 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.390 -0.114 18701 4469 1 6 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.847 0.335 18701 4470 1 6 . 1 1 30 30 LYS H H 30 8.950 8.950 9.057 -0.107 18701 4471 1 6 . 1 1 31 31 ILE N N 31 120.757 120.757 123.316 -2.559 18701 4472 1 6 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.224 0.460 18701 4473 1 6 . 1 1 31 31 ILE C C 31 174.714 174.714 174.510 0.204 18701 4474 1 6 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.234 0.612 18701 4475 1 6 . 1 1 31 31 ILE CB C 31 37.508 37.508 37.765 -0.257 18701 4476 1 6 . 1 1 31 31 ILE H H 31 8.256 8.256 8.946 -0.690 18701 4477 1 6 . 1 1 32 32 ASP N N 32 130.811 130.811 130.145 0.666 18701 4478 1 6 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.961 -0.516 18701 4479 1 6 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.220 0.443 18701 4480 1 6 . 1 1 32 32 ASP CB C 32 37.489 37.489 44.065 -6.576 18701 4481 1 6 . 1 1 32 32 ASP H H 32 9.441 9.441 8.877 0.564 18701 4482 1 6 . 1 1 33 33 LYS HA H 33 4.314 4.314 4.070 0.244 18701 4483 1 6 . 1 1 33 33 LYS C C 33 174.759 174.759 176.505 -1.746 18701 4484 1 6 . 1 1 33 33 LYS CA C 33 56.230 56.230 57.134 -0.904 18701 4485 1 6 . 1 1 33 33 LYS CB C 33 29.205 29.205 32.444 -3.239 18701 4486 1 6 . 1 1 34 34 ASN N N 34 117.759 117.759 123.307 -5.548 18701 4487 1 6 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.556 0.128 18701 4488 1 6 . 1 1 34 34 ASN C C 34 174.736 174.736 175.608 -0.872 18701 4489 1 6 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.193 -1.042 18701 4490 1 6 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.209 1.415 18701 4491 1 6 . 1 1 34 34 ASN H H 34 8.573 8.573 8.846 -0.273 18701 4492 1 6 . 1 1 35 35 ASP N N 35 115.713 115.713 118.064 -2.351 18701 4493 1 6 . 1 1 35 35 ASP C C 35 175.586 175.586 174.745 0.841 18701 4494 1 6 . 1 1 35 35 ASP CA C 35 54.043 54.043 52.915 1.128 18701 4495 1 6 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.525 1.566 18701 4496 1 6 . 1 1 35 35 ASP H H 35 8.134 8.134 7.849 0.285 18701 4497 1 6 . 1 1 36 36 THR HA H 36 4.565 4.565 4.004 0.561 18701 4498 1 6 . 1 1 36 36 THR C C 36 175.517 175.517 172.972 2.545 18701 4499 1 6 . 1 1 36 36 THR CA C 36 62.579 62.579 62.730 -0.151 18701 4500 1 6 . 1 1 36 36 THR CB C 36 71.858 71.858 67.641 4.217 18701 4501 1 6 . 1 1 37 37 ALA N N 37 124.761 124.761 127.810 -3.049 18701 4502 1 6 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.486 0.012 18701 4503 1 6 . 1 1 37 37 ALA C C 37 175.300 175.300 175.989 -0.689 18701 4504 1 6 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.973 0.508 18701 4505 1 6 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.701 -0.090 18701 4506 1 6 . 1 1 37 37 ALA H H 37 8.054 8.054 9.005 -0.951 18701 4507 1 6 . 1 1 38 38 ILE N N 38 121.171 121.171 126.089 -4.918 18701 4508 1 6 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.870 -0.203 18701 4509 1 6 . 1 1 38 38 ILE C C 38 174.301 174.301 175.453 -1.152 18701 4510 1 6 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.000 -0.561 18701 4511 1 6 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.125 1.092 18701 4512 1 6 . 1 1 38 38 ILE H H 38 8.623 8.623 8.150 0.473 18701 4513 1 6 . 1 1 39 39 VAL N N 39 118.121 118.121 126.124 -8.003 18701 4514 1 6 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.657 0.016 18701 4515 1 6 . 1 1 39 39 VAL C C 39 174.974 174.974 174.075 0.899 18701 4516 1 6 . 1 1 39 39 VAL CA C 39 59.078 59.078 59.108 -0.030 18701 4517 1 6 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.602 -1.129 18701 4518 1 6 . 1 1 39 39 VAL H H 39 9.083 9.083 8.630 0.453 18701 4519 1 6 . 1 1 40 40 VAL N N 40 121.315 121.315 123.507 -2.192 18701 4520 1 6 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.419 -0.631 18701 4521 1 6 . 1 1 40 40 VAL C C 40 175.300 175.300 175.478 -0.178 18701 4522 1 6 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.603 0.197 18701 4523 1 6 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.702 0.922 18701 4524 1 6 . 1 1 40 40 VAL H H 40 8.345 8.345 8.787 -0.442 18701 4525 1 6 . 1 1 41 41 GLU N N 41 130.920 130.920 128.034 2.886 18701 4526 1 6 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.461 -0.052 18701 4527 1 6 . 1 1 41 41 GLU C C 41 175.647 175.647 176.336 -0.689 18701 4528 1 6 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.485 -0.279 18701 4529 1 6 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.690 1.827 18701 4530 1 6 . 1 1 41 41 GLU H H 41 9.388 9.388 9.256 0.132 18701 4531 1 6 . 1 1 42 42 LYS N N 42 115.836 115.836 118.198 -2.362 18701 4532 1 6 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.590 0.064 18701 4533 1 6 . 1 1 42 42 LYS C C 42 173.715 173.715 173.911 -0.196 18701 4534 1 6 . 1 1 42 42 LYS CA C 42 54.520 54.520 54.953 -0.433 18701 4535 1 6 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.358 1.500 18701 4536 1 6 . 1 1 42 42 LYS H H 42 7.523 7.523 7.597 -0.074 18701 4537 1 6 . 1 1 43 43 VAL N N 43 118.472 118.472 122.069 -3.597 18701 4538 1 6 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.586 -0.141 18701 4539 1 6 . 1 1 43 43 VAL C C 43 174.931 174.931 174.965 -0.034 18701 4540 1 6 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.643 0.005 18701 4541 1 6 . 1 1 43 43 VAL CB C 43 34.170 34.170 35.429 -1.259 18701 4542 1 6 . 1 1 43 43 VAL H H 43 8.315 8.315 8.447 -0.132 18701 4543 1 6 . 1 1 44 44 GLY N N 44 112.479 112.479 116.176 -3.697 18701 4544 1 6 . 1 1 44 44 GLY C C 44 174.149 174.149 173.421 0.728 18701 4545 1 6 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.929 -0.546 18701 4546 1 6 . 1 1 44 44 GLY H H 44 7.953 7.953 9.332 -1.379 18701 4547 1 6 . 1 1 45 45 GLU N N 45 122.999 122.999 125.262 -2.263 18701 4548 1 6 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.427 -0.008 18701 4549 1 6 . 1 1 45 45 GLU C C 45 175.365 175.365 178.448 -3.083 18701 4550 1 6 . 1 1 45 45 GLU CA C 45 56.392 56.392 55.515 0.877 18701 4551 1 6 . 1 1 45 45 GLU CB C 45 30.670 30.670 30.289 0.381 18701 4552 1 6 . 1 1 45 45 GLU H H 45 8.949 8.949 8.820 0.129 18701 4553 1 6 . 1 1 48 48 ALA N N 48 124.687 124.687 123.402 1.285 18701 4554 1 6 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.746 -0.325 18701 4555 1 6 . 1 1 48 48 ALA C C 48 176.210 176.210 175.198 1.012 18701 4556 1 6 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.714 1.794 18701 4557 1 6 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.375 -1.728 18701 4558 1 6 . 1 1 48 48 ALA H H 48 7.627 7.627 7.454 0.173 18701 4559 1 6 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.667 -0.018 18701 4560 1 6 . 1 1 49 49 PRO C C 49 177.535 177.535 177.294 0.241 18701 4561 1 6 . 1 1 49 49 PRO CA C 49 62.497 62.497 61.928 0.569 18701 4562 1 6 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.488 -0.352 18701 4563 1 6 . 1 1 50 50 TYR N N 50 127.091 127.091 116.488 10.603 18701 4564 1 6 . 1 1 50 50 TYR HA H 50 4.061 4.061 3.984 0.077 18701 4565 1 6 . 1 1 50 50 TYR C C 50 177.427 177.427 176.813 0.614 18701 4566 1 6 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.716 1.944 18701 4567 1 6 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.060 1.180 18701 4568 1 6 . 1 1 50 50 TYR H H 50 9.065 9.065 8.764 0.301 18701 4569 1 6 . 1 1 51 51 ALA N N 51 117.547 117.547 122.072 -4.525 18701 4570 1 6 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.754 0.321 18701 4571 1 6 . 1 1 51 51 ALA C C 51 179.836 179.836 178.917 0.919 18701 4572 1 6 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.209 0.800 18701 4573 1 6 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.538 1.492 18701 4574 1 6 . 1 1 51 51 ALA H H 51 8.910 8.910 7.533 1.377 18701 4575 1 6 . 1 1 52 52 GLU N N 52 117.688 117.688 118.532 -0.844 18701 4576 1 6 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.025 0.001 18701 4577 1 6 . 1 1 52 52 GLU C C 52 177.970 177.970 178.463 -0.493 18701 4578 1 6 . 1 1 52 52 GLU CA C 52 59.241 59.241 59.105 0.136 18701 4579 1 6 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.446 0.329 18701 4580 1 6 . 1 1 52 52 GLU H H 52 7.708 7.708 7.739 -0.031 18701 4581 1 6 . 1 1 53 53 PHE N N 53 120.303 120.303 119.698 0.605 18701 4582 1 6 . 1 1 53 53 PHE HA H 53 2.974 2.974 4.196 -1.222 18701 4583 1 6 . 1 1 53 53 PHE C C 53 175.582 175.582 177.348 -1.766 18701 4584 1 6 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.355 -0.463 18701 4585 1 6 . 1 1 53 53 PHE CB C 53 36.694 36.694 39.060 -2.366 18701 4586 1 6 . 1 1 53 53 PHE H H 53 6.778 6.778 7.276 -0.498 18701 4587 1 6 . 1 1 54 54 VAL N N 54 117.631 117.631 120.062 -2.431 18701 4588 1 6 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.337 -0.986 18701 4589 1 6 . 1 1 54 54 VAL C C 54 177.101 177.101 177.693 -0.592 18701 4590 1 6 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.537 0.356 18701 4591 1 6 . 1 1 54 54 VAL CB C 54 31.484 31.484 31.673 -0.189 18701 4592 1 6 . 1 1 54 54 VAL H H 54 7.104 7.104 7.785 -0.681 18701 4593 1 6 . 1 1 55 55 GLU N N 55 118.253 118.253 119.074 -0.821 18701 4594 1 6 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.908 -0.168 18701 4595 1 6 . 1 1 55 55 GLU C C 55 178.859 178.859 179.077 -0.218 18701 4596 1 6 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.245 -0.329 18701 4597 1 6 . 1 1 55 55 GLU CB C 55 29.287 29.287 28.872 0.415 18701 4598 1 6 . 1 1 55 55 GLU H H 55 7.592 7.592 8.060 -0.468 18701 4599 1 6 . 1 1 56 56 GLU N N 56 118.908 118.908 117.982 0.926 18701 4600 1 6 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.015 -0.168 18701 4601 1 6 . 1 1 56 56 GLU C C 56 179.272 179.272 177.878 1.394 18701 4602 1 6 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.638 0.196 18701 4603 1 6 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.063 -0.428 18701 4604 1 6 . 1 1 56 56 GLU H H 56 8.002 8.002 7.564 0.438 18701 4605 1 6 . 1 1 57 57 MET N N 57 117.937 117.937 117.638 0.299 18701 4606 1 6 . 1 1 57 57 MET HA H 57 3.799 3.799 4.263 -0.464 18701 4607 1 6 . 1 1 57 57 MET C C 57 177.514 177.514 177.405 0.109 18701 4608 1 6 . 1 1 57 57 MET CA C 57 57.044 57.044 57.595 -0.551 18701 4609 1 6 . 1 1 57 57 MET CB C 57 30.263 30.263 33.028 -2.765 18701 4610 1 6 . 1 1 57 57 MET H H 57 7.838 7.838 7.062 0.776 18701 4611 1 6 . 1 1 58 58 LYS N N 58 119.343 119.343 120.715 -1.372 18701 4612 1 6 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.828 -0.209 18701 4613 1 6 . 1 1 58 58 LYS C C 58 178.339 178.339 178.523 -0.184 18701 4614 1 6 . 1 1 58 58 LYS CA C 58 60.218 60.218 60.007 0.211 18701 4615 1 6 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.436 0.351 18701 4616 1 6 . 1 1 58 58 LYS H H 58 8.341 8.341 8.344 -0.003 18701 4617 1 6 . 1 1 59 59 LYS N N 59 114.611 114.611 117.162 -2.551 18701 4618 1 6 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.052 -0.158 18701 4619 1 6 . 1 1 59 59 LYS C C 59 178.404 178.404 178.225 0.179 18701 4620 1 6 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.850 0.066 18701 4621 1 6 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.844 0.943 18701 4622 1 6 . 1 1 59 59 LYS H H 59 7.126 7.126 8.007 -0.881 18701 4623 1 6 . 1 1 60 60 LEU N N 60 117.334 117.334 118.732 -1.398 18701 4624 1 6 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.200 -0.066 18701 4625 1 6 . 1 1 60 60 LEU C C 60 179.619 179.619 179.015 0.604 18701 4626 1 6 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.706 0.012 18701 4627 1 6 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.522 0.602 18701 4628 1 6 . 1 1 60 60 LEU H H 60 7.343 7.343 7.208 0.135 18701 4629 1 6 . 1 1 61 61 VAL N N 61 108.515 108.515 119.306 -10.791 18701 4630 1 6 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.600 0.844 18701 4631 1 6 . 1 1 61 61 VAL C C 61 177.753 177.753 178.304 -0.551 18701 4632 1 6 . 1 1 61 61 VAL CA C 61 61.113 61.113 66.071 -4.958 18701 4633 1 6 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.175 0.798 18701 4634 1 6 . 1 1 61 61 VAL H H 61 7.730 7.730 7.744 -0.014 18701 4635 1 6 . 1 1 62 62 GLU N N 62 123.907 123.907 119.958 3.949 18701 4636 1 6 . 1 1 62 62 GLU HA H 62 4.026 4.026 4.009 0.017 18701 4637 1 6 . 1 1 62 62 GLU C C 62 176.602 176.602 177.260 -0.658 18701 4638 1 6 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.676 0.565 18701 4639 1 6 . 1 1 62 62 GLU CB C 62 29.205 29.205 29.461 -0.256 18701 4640 1 6 . 1 1 62 62 GLU H H 62 7.583 7.583 8.309 -0.727 18701 4641 1 6 . 1 1 63 63 ASP N N 63 118.203 118.203 117.360 0.843 18701 4642 1 6 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.516 -0.142 18701 4643 1 6 . 1 1 63 63 ASP C C 63 177.557 177.557 176.201 1.356 18701 4644 1 6 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.380 0.547 18701 4645 1 6 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.743 -1.712 18701 4646 1 6 . 1 1 63 63 ASP H H 63 8.584 8.584 7.735 0.849 18701 4647 1 6 . 1 1 64 64 GLY N N 64 107.534 107.534 107.246 0.288 18701 4648 1 6 . 1 1 64 64 GLY C C 64 173.281 173.281 172.829 0.452 18701 4649 1 6 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.315 1.002 18701 4650 1 6 . 1 1 64 64 GLY H H 64 8.036 8.036 7.422 0.614 18701 4651 1 6 . 1 1 65 65 LYS N N 65 115.632 115.632 123.195 -7.563 18701 4652 1 6 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.516 -0.310 18701 4653 1 6 . 1 1 65 65 LYS C C 65 176.233 176.233 175.151 1.082 18701 4654 1 6 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.358 1.115 18701 4655 1 6 . 1 1 65 65 LYS CB C 65 34.051 34.051 32.615 1.436 18701 4656 1 6 . 1 1 65 65 LYS H H 65 8.197 8.197 8.405 -0.208 18701 4657 1 6 . 1 1 66 66 GLU N N 66 118.786 118.786 123.331 -4.545 18701 4658 1 6 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.478 -0.224 18701 4659 1 6 . 1 1 66 66 GLU C C 66 174.063 174.063 175.228 -1.165 18701 4660 1 6 . 1 1 66 66 GLU CA C 66 55.823 55.823 55.477 0.346 18701 4661 1 6 . 1 1 66 66 GLU CB C 66 33.031 33.031 32.393 0.638 18701 4662 1 6 . 1 1 66 66 GLU H H 66 7.775 7.775 8.573 -0.798 18701 4663 1 6 . 1 1 67 67 CYS N N 67 114.372 114.372 120.466 -6.094 18701 4664 1 6 . 1 1 67 67 CYS HA H 67 4.206 4.206 5.086 -0.880 18701 4665 1 6 . 1 1 67 67 CYS C C 67 175.517 175.517 173.660 1.857 18701 4666 1 6 . 1 1 67 67 CYS CA C 67 56.431 56.431 55.489 0.942 18701 4667 1 6 . 1 1 67 67 CYS CB C 67 29.465 29.465 30.334 -0.869 18701 4668 1 6 . 1 1 67 67 CYS H H 67 7.586 7.586 8.410 -0.824 18701 4669 1 6 . 1 1 68 68 ARG N N 68 117.544 117.544 119.281 -1.737 18701 4670 1 6 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.967 -0.561 18701 4671 1 6 . 1 1 68 68 ARG C C 68 176.624 176.624 174.793 1.831 18701 4672 1 6 . 1 1 68 68 ARG CA C 68 55.334 55.334 55.048 0.286 18701 4673 1 6 . 1 1 68 68 ARG CB C 68 32.376 32.376 32.783 -0.407 18701 4674 1 6 . 1 1 68 68 ARG H H 68 7.682 7.682 8.567 -0.885 18701 4675 1 6 . 1 1 69 69 TYR N N 69 115.996 115.996 123.250 -7.254 18701 4676 1 6 . 1 1 69 69 TYR HA H 69 5.819 5.819 5.325 0.494 18701 4677 1 6 . 1 1 69 69 TYR C C 69 175.300 175.300 174.505 0.795 18701 4678 1 6 . 1 1 69 69 TYR CA C 69 54.379 54.379 57.430 -3.051 18701 4679 1 6 . 1 1 69 69 TYR CB C 69 41.998 41.998 42.922 -0.924 18701 4680 1 6 . 1 1 69 69 TYR H H 69 8.139 8.139 9.297 -1.158 18701 4681 1 6 . 1 1 70 70 ALA N N 70 121.451 121.451 124.593 -3.142 18701 4682 1 6 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.543 0.193 18701 4683 1 6 . 1 1 70 70 ALA C C 70 174.367 174.367 175.395 -1.028 18701 4684 1 6 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.765 1.693 18701 4685 1 6 . 1 1 70 70 ALA CB C 70 24.158 24.158 23.104 1.054 18701 4686 1 6 . 1 1 70 70 ALA H H 70 9.334 9.334 8.623 0.711 18701 4687 1 6 . 1 1 71 71 ALA N N 71 121.815 121.815 127.884 -6.069 18701 4688 1 6 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.699 0.169 18701 4689 1 6 . 1 1 71 71 ALA C C 71 175.495 175.495 175.522 -0.027 18701 4690 1 6 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.919 0.172 18701 4691 1 6 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.065 -0.511 18701 4692 1 6 . 1 1 71 71 ALA H H 71 9.059 9.059 8.500 0.559 18701 4693 1 6 . 1 1 72 72 VAL N N 72 120.963 120.963 123.938 -2.975 18701 4694 1 6 . 1 1 72 72 VAL HA H 72 4.505 4.505 5.082 -0.577 18701 4695 1 6 . 1 1 72 72 VAL C C 72 173.194 173.194 173.821 -0.627 18701 4696 1 6 . 1 1 72 72 VAL CA C 72 61.276 61.276 59.932 1.344 18701 4697 1 6 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.401 -0.334 18701 4698 1 6 . 1 1 72 72 VAL H H 72 8.665 8.665 8.004 0.661 18701 4699 1 6 . 1 1 73 73 ASP N N 73 128.360 128.360 130.506 -2.146 18701 4700 1 6 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.391 -0.420 18701 4701 1 6 . 1 1 73 73 ASP C C 73 175.256 175.256 174.375 0.881 18701 4702 1 6 . 1 1 73 73 ASP CA C 73 53.891 53.891 52.841 1.050 18701 4703 1 6 . 1 1 73 73 ASP CB C 73 41.659 41.659 42.873 -1.214 18701 4704 1 6 . 1 1 73 73 ASP H H 73 8.896 8.896 8.782 0.114 18701 4705 1 6 . 1 1 74 74 VAL N N 74 127.568 127.568 124.995 2.573 18701 4706 1 6 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.603 -0.409 18701 4707 1 6 . 1 1 74 74 VAL C C 74 173.846 173.846 173.323 0.523 18701 4708 1 6 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.359 2.487 18701 4709 1 6 . 1 1 74 74 VAL CB C 74 33.682 33.682 36.249 -2.567 18701 4710 1 6 . 1 1 74 74 VAL H H 74 9.232 9.232 9.054 0.178 18701 4711 1 6 . 1 1 75 75 GLU N N 75 126.833 126.833 128.302 -1.469 18701 4712 1 6 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.676 0.163 18701 4713 1 6 . 1 1 75 75 GLU C C 75 175.799 175.799 175.181 0.618 18701 4714 1 6 . 1 1 75 75 GLU CA C 75 55.578 55.578 55.173 0.405 18701 4715 1 6 . 1 1 75 75 GLU CB C 75 31.647 31.647 28.666 2.981 18701 4716 1 6 . 1 1 75 75 GLU H H 75 8.560 8.560 8.659 -0.099 18701 4717 1 6 . 1 1 76 76 VAL N N 76 123.421 123.421 126.043 -2.622 18701 4718 1 6 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.269 0.163 18701 4719 1 6 . 1 1 76 76 VAL C C 76 174.562 174.562 175.458 -0.896 18701 4720 1 6 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.091 -0.629 18701 4721 1 6 . 1 1 76 76 VAL CB C 76 34.822 34.822 33.404 1.418 18701 4722 1 6 . 1 1 76 76 VAL H H 76 9.032 9.032 8.127 0.905 18701 4723 1 6 . 1 1 77 77 THR N N 77 120.606 120.606 122.376 -1.770 18701 4724 1 6 . 1 1 77 77 THR HA H 77 4.876 4.876 5.208 -0.332 18701 4725 1 6 . 1 1 77 77 THR C C 77 173.998 173.998 174.382 -0.384 18701 4726 1 6 . 1 1 77 77 THR CA C 77 62.172 62.172 61.632 0.540 18701 4727 1 6 . 1 1 77 77 THR CB C 77 70.067 70.067 68.903 1.164 18701 4728 1 6 . 1 1 77 77 THR H H 77 8.402 8.402 8.449 -0.047 18701 4729 1 6 . 1 1 78 78 VAL N N 78 122.942 122.942 124.010 -1.068 18701 4730 1 6 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.435 -0.051 18701 4731 1 6 . 1 1 78 78 VAL C C 78 174.605 174.605 173.485 1.120 18701 4732 1 6 . 1 1 78 78 VAL CA C 78 60.218 60.218 60.031 0.187 18701 4733 1 6 . 1 1 78 78 VAL CB C 78 34.740 34.740 34.674 0.066 18701 4734 1 6 . 1 1 78 78 VAL H H 78 8.781 8.781 8.702 0.079 18701 4735 1 6 . 1 1 79 79 GLN N N 79 123.562 123.562 121.752 1.810 18701 4736 1 6 . 1 1 79 79 GLN HA H 79 4.380 4.380 5.108 -0.728 18701 4737 1 6 . 1 1 79 79 GLN C C 79 175.647 175.647 174.911 0.736 18701 4738 1 6 . 1 1 79 79 GLN CA C 79 55.578 55.578 54.663 0.915 18701 4739 1 6 . 1 1 79 79 GLN CB C 79 29.531 29.531 29.770 -0.239 18701 4740 1 6 . 1 1 79 79 GLN H H 79 8.527 8.527 8.454 0.073 18701 4741 1 6 . 1 1 80 80 ARG N N 80 125.030 125.030 124.527 0.503 18701 4742 1 6 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.731 -0.454 18701 4743 1 6 . 1 1 80 80 ARG C C 80 175.864 175.864 174.902 0.962 18701 4744 1 6 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.263 2.641 18701 4745 1 6 . 1 1 80 80 ARG CB C 80 31.322 31.322 33.183 -1.861 18701 4746 1 6 . 1 1 80 80 ARG H H 80 8.516 8.516 8.409 0.107 18701 4747 1 6 . 1 1 81 81 GLN N N 81 122.473 122.473 120.760 1.713 18701 4748 1 6 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.193 0.012 18701 4749 1 6 . 1 1 81 81 GLN C C 81 176.776 176.776 176.468 0.308 18701 4750 1 6 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.684 -1.059 18701 4751 1 6 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.309 0.571 18701 4752 1 6 . 1 1 81 81 GLN H H 81 8.609 8.609 8.737 -0.128 18701 4753 1 6 . 1 1 82 82 GLY N N 82 112.685 112.685 110.216 2.469 18701 4754 1 6 . 1 1 82 82 GLY C C 82 173.498 173.498 172.993 0.505 18701 4755 1 6 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.703 1.026 18701 4756 1 6 . 1 1 82 82 GLY H H 82 8.766 8.766 8.631 0.135 18701 4757 1 6 . 1 1 83 83 ALA N N 83 123.093 123.093 122.652 0.441 18701 4758 1 6 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.627 -0.218 18701 4759 1 6 . 1 1 83 83 ALA C C 83 176.971 176.971 175.482 1.489 18701 4760 1 6 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.645 0.520 18701 4761 1 6 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.458 -0.207 18701 4762 1 6 . 1 1 83 83 ALA H H 83 7.965 7.965 7.507 0.458 18701 4763 1 6 . 1 1 84 84 GLU N N 84 118.929 118.929 119.142 -0.213 18701 4764 1 6 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.204 0.050 18701 4765 1 6 . 1 1 84 84 GLU C C 84 176.928 176.928 176.247 0.681 18701 4766 1 6 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.823 0.221 18701 4767 1 6 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.806 0.620 18701 4768 1 6 . 1 1 84 84 GLU H H 84 8.390 8.390 8.466 -0.076 18701 4769 1 6 . 1 1 85 85 GLY N N 85 109.042 109.042 109.652 -0.610 18701 4770 1 6 . 1 1 85 85 GLY C C 85 173.607 173.607 172.870 0.737 18701 4771 1 6 . 1 1 85 85 GLY CA C 85 44.997 44.997 44.947 0.050 18701 4772 1 6 . 1 1 85 85 GLY H H 85 8.220 8.220 7.747 0.473 18701 4773 1 6 . 1 1 86 86 THR N N 86 112.014 112.014 118.829 -6.815 18701 4774 1 6 . 1 1 86 86 THR HA H 86 4.792 4.792 4.336 0.456 18701 4775 1 6 . 1 1 86 86 THR C C 86 174.280 174.280 173.788 0.492 18701 4776 1 6 . 1 1 86 86 THR CA C 86 61.113 61.113 63.162 -2.049 18701 4777 1 6 . 1 1 86 86 THR CB C 86 71.532 71.532 69.056 2.476 18701 4778 1 6 . 1 1 86 86 THR H H 86 8.172 8.172 8.214 -0.042 18701 4779 1 6 . 1 1 87 87 SER N N 87 117.161 117.161 124.994 -7.833 18701 4780 1 6 . 1 1 87 87 SER HA H 87 4.744 4.744 4.814 -0.070 18701 4781 1 6 . 1 1 87 87 SER C C 87 172.956 172.956 173.307 -0.351 18701 4782 1 6 . 1 1 87 87 SER CA C 87 57.532 57.532 57.285 0.247 18701 4783 1 6 . 1 1 87 87 SER CB C 87 65.428 65.428 65.089 0.339 18701 4784 1 6 . 1 1 87 87 SER H H 87 8.782 8.782 9.255 -0.473 18701 4785 1 6 . 1 1 88 88 THR N N 88 116.763 116.763 116.737 0.026 18701 4786 1 6 . 1 1 88 88 THR HA H 88 5.151 5.151 4.597 0.554 18701 4787 1 6 . 1 1 88 88 THR C C 88 173.650 173.650 173.876 -0.226 18701 4788 1 6 . 1 1 88 88 THR CA C 88 61.439 61.439 61.339 0.100 18701 4789 1 6 . 1 1 88 88 THR CB C 88 71.125 71.125 69.321 1.804 18701 4790 1 6 . 1 1 88 88 THR H H 88 8.404 8.404 8.504 -0.100 18701 4791 1 6 . 1 1 89 89 LEU N N 89 126.308 126.308 128.051 -1.743 18701 4792 1 6 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.670 -0.058 18701 4793 1 6 . 1 1 89 89 LEU C C 89 174.171 174.171 175.280 -1.109 18701 4794 1 6 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.904 0.280 18701 4795 1 6 . 1 1 89 89 LEU CB C 89 45.078 45.078 45.116 -0.038 18701 4796 1 6 . 1 1 89 89 LEU H H 89 9.039 9.039 7.881 1.158 18701 4797 1 6 . 1 1 90 90 ASN N N 90 120.749 120.749 120.891 -0.142 18701 4798 1 6 . 1 1 90 90 ASN HA H 90 5.641 5.641 4.722 0.919 18701 4799 1 6 . 1 1 90 90 ASN C C 90 174.757 174.757 174.613 0.144 18701 4800 1 6 . 1 1 90 90 ASN CA C 90 53.381 53.381 53.062 0.319 18701 4801 1 6 . 1 1 90 90 ASN CB C 90 40.764 40.764 38.945 1.819 18701 4802 1 6 . 1 1 90 90 ASN H H 90 8.347 8.347 8.641 -0.294 18701 4803 1 6 . 1 1 91 91 LYS N N 91 123.843 123.843 124.429 -0.586 18701 4804 1 6 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.722 -0.026 18701 4805 1 6 . 1 1 91 91 LYS C C 91 173.629 173.629 174.622 -0.993 18701 4806 1 6 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.806 -0.492 18701 4807 1 6 . 1 1 91 91 LYS CB C 91 36.531 36.531 36.633 -0.102 18701 4808 1 6 . 1 1 91 91 LYS H H 91 9.087 9.087 8.755 0.332 18701 4809 1 6 . 1 1 92 92 VAL N N 92 123.150 123.150 123.523 -0.373 18701 4810 1 6 . 1 1 92 92 VAL HA H 92 5.103 5.103 5.269 -0.166 18701 4811 1 6 . 1 1 92 92 VAL C C 92 175.517 175.517 174.378 1.139 18701 4812 1 6 . 1 1 92 92 VAL CA C 92 61.683 61.683 59.880 1.803 18701 4813 1 6 . 1 1 92 92 VAL CB C 92 31.973 31.973 34.015 -2.042 18701 4814 1 6 . 1 1 92 92 VAL H H 92 8.479 8.479 8.569 -0.090 18701 4815 1 6 . 1 1 93 93 ILE N N 93 120.433 120.433 125.690 -5.257 18701 4816 1 6 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.566 0.788 18701 4817 1 6 . 1 1 93 93 ILE C C 93 174.215 174.215 173.291 0.924 18701 4818 1 6 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.457 -0.195 18701 4819 1 6 . 1 1 93 93 ILE CB C 93 41.008 41.008 42.552 -1.544 18701 4820 1 6 . 1 1 93 93 ILE H H 93 9.155 9.155 8.341 0.814 18701 4821 1 6 . 1 1 94 94 PHE N N 94 122.349 122.349 125.522 -3.173 18701 4822 1 6 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.494 0.087 18701 4823 1 6 . 1 1 94 94 PHE C C 94 173.042 173.042 174.603 -1.561 18701 4824 1 6 . 1 1 94 94 PHE CA C 94 56.397 56.397 54.951 1.446 18701 4825 1 6 . 1 1 94 94 PHE CB C 94 42.392 42.392 40.530 1.862 18701 4826 1 6 . 1 1 94 94 PHE H H 94 9.002 9.002 8.589 0.413 18701 4827 1 6 . 1 1 95 95 VAL N N 95 126.937 126.937 125.876 1.061 18701 4828 1 6 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.991 -0.285 18701 4829 1 6 . 1 1 95 95 VAL C C 95 174.128 174.128 174.621 -0.493 18701 4830 1 6 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.550 -0.042 18701 4831 1 6 . 1 1 95 95 VAL CB C 95 35.554 35.554 33.868 1.686 18701 4832 1 6 . 1 1 95 95 VAL H H 95 8.978 8.978 9.208 -0.230 18701 4833 1 6 . 1 1 96 96 GLN N N 96 124.946 124.946 125.914 -0.968 18701 4834 1 6 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.050 0.682 18701 4835 1 6 . 1 1 96 96 GLN C C 96 172.912 172.912 175.104 -2.192 18701 4836 1 6 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.415 1.006 18701 4837 1 6 . 1 1 96 96 GLN CB C 96 31.403 31.403 28.524 2.879 18701 4838 1 6 . 1 1 96 96 GLN H H 96 8.516 8.516 8.481 0.035 18701 4839 1 6 . 1 1 97 97 TYR N N 97 129.236 129.236 126.845 2.391 18701 4840 1 6 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.075 -0.056 18701 4841 1 6 . 1 1 97 97 TYR C C 97 174.844 174.844 174.677 0.167 18701 4842 1 6 . 1 1 97 97 TYR CA C 97 57.244 57.244 57.941 -0.697 18701 4843 1 6 . 1 1 97 97 TYR CB C 97 41.252 41.252 38.629 2.623 18701 4844 1 6 . 1 1 97 97 TYR H H 97 9.030 9.030 8.463 0.567 18701 4845 1 6 . 1 1 98 98 CYS N N 98 127.084 127.084 122.422 4.662 18701 4846 1 6 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.733 -0.001 18701 4847 1 6 . 1 1 98 98 CYS CA C 98 54.602 54.602 56.570 -1.968 18701 4848 1 6 . 1 1 98 98 CYS CB C 98 29.042 29.042 31.105 -2.063 18701 4849 1 6 . 1 1 98 98 CYS H H 98 8.227 8.227 9.136 -0.909 18701 4850 1 6 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.574 0.169 18701 4851 1 6 . 1 1 99 99 PRO C C 99 177.492 177.492 176.602 0.890 18701 4852 1 6 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.721 -0.142 18701 4853 1 6 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.719 -0.258 18701 4854 1 6 . 1 1 100 100 ASP N N 100 120.420 120.420 118.750 1.670 18701 4855 1 6 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.476 -0.258 18701 4856 1 6 . 1 1 100 100 ASP C C 100 176.993 176.993 176.529 0.464 18701 4857 1 6 . 1 1 100 100 ASP CA C 100 57.369 57.369 55.560 1.809 18701 4858 1 6 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.681 0.000 18701 4859 1 6 . 1 1 100 100 ASP H H 100 8.584 8.584 8.653 -0.069 18701 4860 1 6 . 1 1 101 101 ASN N N 101 112.580 112.580 117.053 -4.473 18701 4861 1 6 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.620 0.171 18701 4862 1 6 . 1 1 101 101 ASN C C 101 175.256 175.256 174.693 0.563 18701 4863 1 6 . 1 1 101 101 ASN CA C 101 52.784 52.784 53.197 -0.413 18701 4864 1 6 . 1 1 101 101 ASN CB C 101 38.078 38.078 37.999 0.079 18701 4865 1 6 . 1 1 101 101 ASN H H 101 8.055 8.055 8.033 0.022 18701 4866 1 6 . 1 1 102 102 ALA N N 102 123.140 123.140 124.385 -1.245 18701 4867 1 6 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.419 0.122 18701 4868 1 6 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.344 1.203 18701 4869 1 6 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.607 -1.205 18701 4870 1 6 . 1 1 102 102 ALA H H 102 7.207 7.207 7.249 -0.042 18701 4871 1 6 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.404 0.028 18701 4872 1 6 . 1 1 103 103 PRO C C 103 178.208 178.208 177.400 0.808 18701 4873 1 6 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.697 0.452 18701 4874 1 6 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.176 0.204 18701 4875 1 6 . 1 1 104 104 VAL N N 104 125.953 125.953 125.624 0.329 18701 4876 1 6 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.628 -0.032 18701 4877 1 6 . 1 1 104 104 VAL C C 104 177.210 177.210 178.062 -0.852 18701 4878 1 6 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.787 0.106 18701 4879 1 6 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.748 0.225 18701 4880 1 6 . 1 1 104 104 VAL H H 104 8.747 8.747 8.606 0.141 18701 4881 1 6 . 1 1 105 105 ARG N N 105 118.556 118.556 120.297 -1.741 18701 4882 1 6 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.187 -0.102 18701 4883 1 6 . 1 1 105 105 ARG C C 105 179.185 179.185 178.765 0.420 18701 4884 1 6 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.350 0.298 18701 4885 1 6 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.362 0.332 18701 4886 1 6 . 1 1 105 105 ARG H H 105 8.866 8.866 8.444 0.422 18701 4887 1 6 . 1 1 106 106 ARG N N 106 118.188 118.188 119.424 -1.236 18701 4888 1 6 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.081 0.137 18701 4889 1 6 . 1 1 106 106 ARG C C 106 177.991 177.991 178.716 -0.725 18701 4890 1 6 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.379 -0.800 18701 4891 1 6 . 1 1 106 106 ARG CB C 106 30.101 30.101 29.830 0.271 18701 4892 1 6 . 1 1 106 106 ARG H H 106 7.140 7.140 8.351 -1.211 18701 4893 1 6 . 1 1 107 107 ARG N N 107 119.484 119.484 120.353 -0.869 18701 4894 1 6 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.075 -0.060 18701 4895 1 6 . 1 1 107 107 ARG C C 107 179.424 179.424 178.631 0.793 18701 4896 1 6 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.868 1.757 18701 4897 1 6 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.654 0.609 18701 4898 1 6 . 1 1 107 107 ARG H H 107 8.246 8.246 8.592 -0.346 18701 4899 1 6 . 1 1 108 108 MET N N 108 117.193 117.193 119.789 -2.596 18701 4900 1 6 . 1 1 108 108 MET HA H 108 4.218 4.218 4.265 -0.047 18701 4901 1 6 . 1 1 108 108 MET C C 108 178.968 178.968 178.415 0.553 18701 4902 1 6 . 1 1 108 108 MET CA C 108 58.671 58.671 57.858 0.812 18701 4903 1 6 . 1 1 108 108 MET CB C 108 32.380 32.380 32.048 0.332 18701 4904 1 6 . 1 1 108 108 MET H H 108 8.599 8.599 8.276 0.323 18701 4905 1 6 . 1 1 109 109 LEU N N 109 123.421 123.421 120.117 3.304 18701 4906 1 6 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.844 0.350 18701 4907 1 6 . 1 1 109 109 LEU C C 109 180.444 180.444 179.052 1.392 18701 4908 1 6 . 1 1 109 109 LEU CA C 109 58.183 58.183 58.164 0.019 18701 4909 1 6 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.299 1.093 18701 4910 1 6 . 1 1 109 109 LEU H H 109 7.924 7.924 8.085 -0.161 18701 4911 1 6 . 1 1 110 110 TYR N N 110 120.798 120.798 120.492 0.306 18701 4912 1 6 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.176 0.017 18701 4913 1 6 . 1 1 110 110 TYR C C 110 180.574 180.574 178.247 2.327 18701 4914 1 6 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.453 0.149 18701 4915 1 6 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.509 -0.676 18701 4916 1 6 . 1 1 110 110 TYR H H 110 8.761 8.761 8.335 0.426 18701 4917 1 6 . 1 1 111 111 ALA N N 111 123.703 123.703 121.282 2.421 18701 4918 1 6 . 1 1 111 111 ALA HA H 111 4.362 4.362 4.032 0.330 18701 4919 1 6 . 1 1 111 111 ALA C C 111 180.314 180.314 179.838 0.476 18701 4920 1 6 . 1 1 111 111 ALA CA C 111 55.660 55.660 55.053 0.607 18701 4921 1 6 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.034 0.427 18701 4922 1 6 . 1 1 111 111 ALA H H 111 8.668 8.668 8.499 0.169 18701 4923 1 6 . 1 1 112 112 SER N N 112 112.404 112.404 112.992 -0.588 18701 4924 1 6 . 1 1 112 112 SER HA H 112 4.360 4.360 4.245 0.115 18701 4925 1 6 . 1 1 112 112 SER C C 112 176.949 176.949 175.402 1.547 18701 4926 1 6 . 1 1 112 112 SER CA C 112 60.869 60.869 61.365 -0.496 18701 4927 1 6 . 1 1 112 112 SER CB C 112 63.474 63.474 63.028 0.446 18701 4928 1 6 . 1 1 112 112 SER H H 112 8.532 8.532 8.332 0.200 18701 4929 1 6 . 1 1 113 113 SER N N 113 115.828 115.828 116.872 -1.044 18701 4930 1 6 . 1 1 113 113 SER HA H 113 4.552 4.552 4.210 0.342 18701 4931 1 6 . 1 1 113 113 SER C C 113 173.390 173.390 175.287 -1.897 18701 4932 1 6 . 1 1 113 113 SER CA C 113 60.218 60.218 60.841 -0.623 18701 4933 1 6 . 1 1 113 113 SER CB C 113 63.393 63.393 62.804 0.589 18701 4934 1 6 . 1 1 113 113 SER H H 113 7.607 7.607 7.457 0.150 18701 4935 1 6 . 1 1 114 114 VAL N N 114 119.484 119.484 121.750 -2.266 18701 4936 1 6 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.432 -0.075 18701 4937 1 6 . 1 1 114 114 VAL C C 114 176.016 176.016 177.125 -1.109 18701 4938 1 6 . 1 1 114 114 VAL CA C 114 64.614 64.614 67.269 -2.655 18701 4939 1 6 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.425 0.466 18701 4940 1 6 . 1 1 114 114 VAL H H 114 6.999 6.999 7.134 -0.135 18701 4941 1 6 . 1 1 115 115 ARG N N 115 121.686 121.686 118.809 2.877 18701 4942 1 6 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.875 -0.175 18701 4943 1 6 . 1 1 115 115 ARG C C 115 178.360 178.360 177.721 0.639 18701 4944 1 6 . 1 1 115 115 ARG CA C 115 59.892 59.892 59.131 0.761 18701 4945 1 6 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.555 -0.350 18701 4946 1 6 . 1 1 115 115 ARG H H 115 7.740 7.740 8.461 -0.721 18701 4947 1 6 . 1 1 116 116 ALA N N 116 121.346 121.346 121.071 0.275 18701 4948 1 6 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.098 -0.059 18701 4949 1 6 . 1 1 116 116 ALA C C 116 180.335 180.335 179.652 0.683 18701 4950 1 6 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.720 0.044 18701 4951 1 6 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.189 -0.298 18701 4952 1 6 . 1 1 116 116 ALA H H 116 7.737 7.737 7.365 0.372 18701 4953 1 6 . 1 1 117 117 LEU N N 117 119.203 119.203 115.375 3.828 18701 4954 1 6 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.904 -0.249 18701 4955 1 6 . 1 1 117 117 LEU C C 117 177.449 177.449 178.679 -1.230 18701 4956 1 6 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.021 0.836 18701 4957 1 6 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.107 1.471 18701 4958 1 6 . 1 1 117 117 LEU H H 117 6.785 6.785 7.774 -0.989 18701 4959 1 6 . 1 1 118 118 LYS N N 118 114.804 114.804 120.277 -5.473 18701 4960 1 6 . 1 1 118 118 LYS HA H 118 4.362 4.362 4.212 0.150 18701 4961 1 6 . 1 1 118 118 LYS C C 118 178.686 178.686 178.595 0.091 18701 4962 1 6 . 1 1 118 118 LYS CA C 118 59.974 59.974 60.078 -0.104 18701 4963 1 6 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.119 0.342 18701 4964 1 6 . 1 1 118 118 LYS H H 118 8.132 8.132 7.395 0.737 18701 4965 1 6 . 1 1 119 119 ALA N N 119 119.833 119.833 120.092 -0.259 18701 4966 1 6 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.150 0.007 18701 4967 1 6 . 1 1 119 119 ALA C C 119 180.183 180.183 179.769 0.414 18701 4968 1 6 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.667 -0.228 18701 4969 1 6 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.264 0.115 18701 4970 1 6 . 1 1 119 119 ALA H H 119 8.068 8.068 7.516 0.552 18701 4971 1 6 . 1 1 120 120 SER N N 120 112.312 112.312 115.019 -2.707 18701 4972 1 6 . 1 1 120 120 SER HA H 120 4.073 4.073 4.236 -0.163 18701 4973 1 6 . 1 1 120 120 SER C C 120 175.799 175.799 175.932 -0.133 18701 4974 1 6 . 1 1 120 120 SER CA C 120 61.602 61.602 60.675 0.927 18701 4975 1 6 . 1 1 120 120 SER CB C 120 63.555 63.555 63.077 0.478 18701 4976 1 6 . 1 1 120 120 SER H H 120 7.713 7.713 7.837 -0.124 18701 4977 1 6 . 1 1 121 121 LEU N N 121 116.812 116.812 119.660 -2.848 18701 4978 1 6 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.147 -0.062 18701 4979 1 6 . 1 1 121 121 LEU C C 121 176.125 176.125 176.715 -0.590 18701 4980 1 6 . 1 1 121 121 LEU CA C 121 55.904 55.904 54.416 1.488 18701 4981 1 6 . 1 1 121 121 LEU CB C 121 41.252 41.252 42.633 -1.381 18701 4982 1 6 . 1 1 121 121 LEU H H 121 7.272 7.272 7.519 -0.247 18701 4983 1 6 . 1 1 122 122 GLY N N 122 108.734 108.734 105.263 3.471 18701 4984 1 6 . 1 1 122 122 GLY C C 122 176.754 176.754 174.929 1.825 18701 4985 1 6 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.158 2.118 18701 4986 1 6 . 1 1 122 122 GLY H H 122 7.377 7.377 7.580 -0.203 18701 4987 1 6 . 1 1 123 123 LEU N N 123 116.950 116.950 120.909 -3.959 18701 4988 1 6 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.338 -0.193 18701 4989 1 6 . 1 1 123 123 LEU C C 123 178.187 178.187 177.823 0.364 18701 4990 1 6 . 1 1 123 123 LEU CA C 123 53.950 53.950 54.083 -0.133 18701 4991 1 6 . 1 1 123 123 LEU CB C 123 41.903 41.903 40.485 1.418 18701 4992 1 6 . 1 1 123 123 LEU H H 123 8.201 8.201 7.818 0.383 18701 4993 1 6 . 1 1 124 124 GLU N N 124 120.328 120.328 120.216 0.112 18701 4994 1 6 . 1 1 124 124 GLU HA H 124 3.704 3.704 4.065 -0.361 18701 4995 1 6 . 1 1 124 124 GLU C C 124 176.970 176.970 177.198 -0.228 18701 4996 1 6 . 1 1 124 124 GLU CA C 124 60.462 60.462 58.943 1.519 18701 4997 1 6 . 1 1 124 124 GLU CB C 124 29.205 29.205 28.847 0.358 18701 4998 1 6 . 1 1 124 124 GLU H H 124 9.213 9.213 8.554 0.659 18701 4999 1 6 . 1 1 125 125 SER N N 125 110.938 110.938 114.667 -3.729 18701 5000 1 6 . 1 1 125 125 SER HA H 125 4.456 4.456 4.518 -0.062 18701 5001 1 6 . 1 1 125 125 SER C C 125 174.475 174.475 174.349 0.126 18701 5002 1 6 . 1 1 125 125 SER CA C 125 58.590 58.590 58.646 -0.056 18701 5003 1 6 . 1 1 125 125 SER CB C 125 63.555 63.555 64.015 -0.460 18701 5004 1 6 . 1 1 125 125 SER H H 125 8.308 8.308 8.082 0.226 18701 5005 1 6 . 1 1 126 126 LEU N N 126 121.193 121.193 120.577 0.616 18701 5006 1 6 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.720 -0.251 18701 5007 1 6 . 1 1 126 126 LEU C C 126 177.774 177.774 175.888 1.886 18701 5008 1 6 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.395 1.532 18701 5009 1 6 . 1 1 126 126 LEU CB C 126 42.066 42.066 44.113 -2.047 18701 5010 1 6 . 1 1 126 126 LEU H H 126 7.178 7.178 7.366 -0.188 18701 5011 1 6 . 1 1 127 127 PHE N N 127 125.109 125.109 119.339 5.770 18701 5012 1 6 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.535 -0.187 18701 5013 1 6 . 1 1 127 127 PHE C C 127 173.542 173.542 175.299 -1.757 18701 5014 1 6 . 1 1 127 127 PHE CA C 127 59.816 59.816 59.168 0.648 18701 5015 1 6 . 1 1 127 127 PHE CB C 127 39.950 39.950 40.460 -0.510 18701 5016 1 6 . 1 1 127 127 PHE H H 127 9.050 9.050 9.108 -0.058 18701 5017 1 6 . 1 1 128 128 GLN N N 128 125.953 125.953 122.371 3.582 18701 5018 1 6 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.405 0.105 18701 5019 1 6 . 1 1 128 128 GLN C C 128 174.736 174.736 174.765 -0.029 18701 5020 1 6 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.637 -1.105 18701 5021 1 6 . 1 1 128 128 GLN CB C 128 31.973 31.973 31.385 0.588 18701 5022 1 6 . 1 1 128 128 GLN H H 128 7.618 7.618 8.506 -0.888 18701 5023 1 6 . 1 1 129 129 VAL N N 129 123.703 123.703 124.872 -1.169 18701 5024 1 6 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.405 -0.330 18701 5025 1 6 . 1 1 129 129 VAL C C 129 174.736 174.736 174.588 0.148 18701 5026 1 6 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.595 0.844 18701 5027 1 6 . 1 1 129 129 VAL CB C 129 34.984 34.984 35.370 -0.386 18701 5028 1 6 . 1 1 129 129 VAL H H 129 8.948 8.948 9.320 -0.372 18701 5029 1 6 . 1 1 130 130 GLN N N 130 129.187 129.187 124.937 4.250 18701 5030 1 6 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.527 0.204 18701 5031 1 6 . 1 1 130 130 GLN C C 130 173.780 173.780 174.235 -0.455 18701 5032 1 6 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.353 0.656 18701 5033 1 6 . 1 1 130 130 GLN CB C 130 28.391 28.391 29.444 -1.053 18701 5034 1 6 . 1 1 130 130 GLN H H 130 8.988 8.988 8.514 0.474 18701 5035 1 6 . 1 1 131 131 ALA N N 131 127.359 127.359 128.420 -1.061 18701 5036 1 6 . 1 1 131 131 ALA HA H 131 4.816 4.816 4.942 -0.126 18701 5037 1 6 . 1 1 131 131 ALA C C 131 174.909 174.909 176.308 -1.399 18701 5038 1 6 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.206 0.559 18701 5039 1 6 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.053 1.698 18701 5040 1 6 . 1 1 131 131 ALA H H 131 8.663 8.663 8.705 -0.042 18701 5041 1 6 . 1 1 132 132 SER N N 132 116.281 116.281 119.800 -3.519 18701 5042 1 6 . 1 1 132 132 SER HA H 132 4.085 4.085 4.690 -0.605 18701 5043 1 6 . 1 1 132 132 SER C C 132 172.087 172.087 174.567 -2.480 18701 5044 1 6 . 1 1 132 132 SER CA C 132 57.667 57.667 59.851 -2.184 18701 5045 1 6 . 1 1 132 132 SER CB C 132 65.916 65.916 64.028 1.888 18701 5046 1 6 . 1 1 132 132 SER H H 132 9.369 9.369 9.466 -0.097 18701 5047 1 6 . 1 1 133 133 GLU N N 133 119.487 119.487 117.386 2.101 18701 5048 1 6 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.491 0.336 18701 5049 1 6 . 1 1 133 133 GLU C C 133 177.666 177.666 176.783 0.883 18701 5050 1 6 . 1 1 133 133 GLU CA C 133 54.998 54.998 55.358 -0.360 18701 5051 1 6 . 1 1 133 133 GLU CB C 133 33.112 33.112 30.986 2.126 18701 5052 1 6 . 1 1 133 133 GLU H H 133 7.739 7.739 7.770 -0.031 18701 5053 1 6 . 1 1 134 134 MET N N 134 122.237 122.237 116.801 5.436 18701 5054 1 6 . 1 1 134 134 MET HA H 134 4.529 4.529 4.296 0.233 18701 5055 1 6 . 1 1 134 134 MET C C 134 180.856 180.856 177.096 3.760 18701 5056 1 6 . 1 1 134 134 MET CA C 134 56.593 56.593 58.377 -1.784 18701 5057 1 6 . 1 1 134 134 MET CB C 134 29.042 29.042 32.815 -3.772 18701 5058 1 6 . 1 1 134 134 MET H H 134 9.143 9.143 8.445 0.698 18701 5059 1 6 . 1 1 135 135 SER N N 135 116.214 116.214 111.856 4.358 18701 5060 1 6 . 1 1 135 135 SER HA H 135 4.205 4.205 4.299 -0.094 18701 5061 1 6 . 1 1 135 135 SER C C 135 176.993 176.993 176.344 0.649 18701 5062 1 6 . 1 1 135 135 SER CA C 135 61.216 61.216 60.513 0.703 18701 5063 1 6 . 1 1 135 135 SER CB C 135 62.253 62.253 63.771 -1.518 18701 5064 1 6 . 1 1 135 135 SER H H 135 8.659 8.659 8.764 -0.105 18701 5065 1 6 . 1 1 136 136 ASP N N 136 122.296 122.296 122.099 0.197 18701 5066 1 6 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.608 -0.055 18701 5067 1 6 . 1 1 136 136 ASP C C 136 175.647 175.647 177.345 -1.698 18701 5068 1 6 . 1 1 136 136 ASP CA C 136 56.881 56.881 55.520 1.361 18701 5069 1 6 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.119 0.540 18701 5070 1 6 . 1 1 136 136 ASP H H 136 7.861 7.861 7.731 0.130 18701 5071 1 6 . 1 1 137 137 LEU N N 137 113.859 113.859 114.170 -0.311 18701 5072 1 6 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.632 -0.115 18701 5073 1 6 . 1 1 137 137 LEU C C 137 176.038 176.038 176.529 -0.491 18701 5074 1 6 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.629 -1.411 18701 5075 1 6 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.376 0.446 18701 5076 1 6 . 1 1 137 137 LEU H H 137 7.617 7.617 7.427 0.190 18701 5077 1 6 . 1 1 138 138 ASP N N 138 119.906 119.906 121.390 -1.484 18701 5078 1 6 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.501 -0.176 18701 5079 1 6 . 1 1 138 138 ASP C C 138 175.842 175.842 177.440 -1.598 18701 5080 1 6 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.730 1.255 18701 5081 1 6 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.880 0.407 18701 5082 1 6 . 1 1 138 138 ASP H H 138 7.119 7.119 7.404 -0.285 18701 5083 1 6 . 1 1 139 139 GLU N N 139 128.062 128.062 125.524 2.538 18701 5084 1 6 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.990 -0.681 18701 5085 1 6 . 1 1 139 139 GLU C C 139 177.275 177.275 177.863 -0.588 18701 5086 1 6 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.967 1.332 18701 5087 1 6 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.223 1.285 18701 5088 1 6 . 1 1 139 139 GLU H H 139 8.943 8.943 8.867 0.076 18701 5089 1 6 . 1 1 140 140 LYS N N 140 115.993 115.993 118.964 -2.971 18701 5090 1 6 . 1 1 140 140 LYS HA H 140 3.894 3.894 3.989 -0.095 18701 5091 1 6 . 1 1 140 140 LYS C C 140 179.771 179.771 179.126 0.645 18701 5092 1 6 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.870 0.685 18701 5093 1 6 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.992 -0.019 18701 5094 1 6 . 1 1 140 140 LYS H H 140 8.243 8.243 8.732 -0.489 18701 5095 1 6 . 1 1 141 141 SER N N 141 116.877 116.877 115.087 1.790 18701 5096 1 6 . 1 1 141 141 SER HA H 141 4.184 4.184 4.549 -0.365 18701 5097 1 6 . 1 1 141 141 SER C C 141 175.973 175.973 176.048 -0.075 18701 5098 1 6 . 1 1 141 141 SER CA C 141 61.737 61.737 60.773 0.964 18701 5099 1 6 . 1 1 141 141 SER CB C 141 62.986 62.986 64.673 -1.687 18701 5100 1 6 . 1 1 141 141 SER H H 141 7.856 7.856 7.992 -0.136 18701 5101 1 6 . 1 1 142 142 VAL N N 142 121.874 121.874 122.253 -0.379 18701 5102 1 6 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.684 0.092 18701 5103 1 6 . 1 1 142 142 VAL C C 142 178.165 178.165 177.567 0.598 18701 5104 1 6 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.045 -0.315 18701 5105 1 6 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.082 1.298 18701 5106 1 6 . 1 1 142 142 VAL H H 142 8.476 8.476 7.575 0.901 18701 5107 1 6 . 1 1 143 143 LYS N N 143 116.141 116.141 119.837 -3.696 18701 5108 1 6 . 1 1 143 143 LYS HA H 143 3.619 3.619 4.037 -0.418 18701 5109 1 6 . 1 1 143 143 LYS C C 143 178.512 178.512 179.171 -0.659 18701 5110 1 6 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.251 2.025 18701 5111 1 6 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.960 0.176 18701 5112 1 6 . 1 1 143 143 LYS H H 143 8.157 8.157 7.582 0.575 18701 5113 1 6 . 1 1 144 144 SER N N 144 113.862 113.862 114.743 -0.881 18701 5114 1 6 . 1 1 144 144 SER HA H 144 4.158 4.158 4.150 0.008 18701 5115 1 6 . 1 1 144 144 SER C C 144 177.340 177.340 176.227 1.113 18701 5116 1 6 . 1 1 144 144 SER CA C 144 61.769 61.769 62.246 -0.477 18701 5117 1 6 . 1 1 144 144 SER CB C 144 62.986 62.986 63.027 -0.041 18701 5118 1 6 . 1 1 144 144 SER H H 144 7.754 7.754 7.803 -0.049 18701 5119 1 6 . 1 1 145 145 ASP N N 145 123.316 123.316 122.521 0.795 18701 5120 1 6 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.386 0.022 18701 5121 1 6 . 1 1 145 145 ASP C C 145 178.708 178.708 178.094 0.614 18701 5122 1 6 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.237 0.132 18701 5123 1 6 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.148 -0.954 18701 5124 1 6 . 1 1 145 145 ASP H H 145 8.172 8.172 8.070 0.102 18701 5125 1 6 . 1 1 146 146 LEU N N 146 121.453 121.453 116.844 4.609 18701 5126 1 6 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.079 -1.021 18701 5127 1 6 . 1 1 146 146 LEU C C 146 178.447 178.447 178.214 0.233 18701 5128 1 6 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.113 0.256 18701 5129 1 6 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.321 1.315 18701 5130 1 6 . 1 1 146 146 LEU H H 146 8.186 8.186 7.534 0.652 18701 5131 1 6 . 1 1 147 147 MET N N 147 115.468 115.468 116.959 -1.491 18701 5132 1 6 . 1 1 147 147 MET HA H 147 4.314 4.314 4.039 0.275 18701 5133 1 6 . 1 1 147 147 MET C C 147 177.839 177.839 177.970 -0.131 18701 5134 1 6 . 1 1 147 147 MET CA C 147 56.311 56.311 58.879 -2.568 18701 5135 1 6 . 1 1 147 147 MET CB C 147 31.891 31.891 32.692 -0.801 18701 5136 1 6 . 1 1 147 147 MET H H 147 7.622 7.622 7.650 -0.028 18701 5137 1 6 . 1 1 148 148 SER N N 148 115.203 115.203 113.894 1.309 18701 5138 1 6 . 1 1 148 148 SER HA H 148 4.338 4.338 4.353 -0.015 18701 5139 1 6 . 1 1 148 148 SER C C 148 174.953 174.953 175.854 -0.901 18701 5140 1 6 . 1 1 148 148 SER CA C 148 60.137 60.137 60.211 -0.074 18701 5141 1 6 . 1 1 148 148 SER CB C 148 63.637 63.637 63.583 0.054 18701 5142 1 6 . 1 1 148 148 SER H H 148 7.836 7.836 7.668 0.168 18701 5143 1 6 . 1 1 149 149 ASN N N 149 119.635 119.635 118.957 0.678 18701 5144 1 6 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.664 0.019 18701 5145 1 6 . 1 1 149 149 ASN C C 149 174.953 174.953 176.185 -1.232 18701 5146 1 6 . 1 1 149 149 ASN CA C 149 54.439 54.439 53.219 1.220 18701 5147 1 6 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.701 2.005 18701 5148 1 6 . 1 1 149 149 ASN H H 149 8.040 8.040 8.080 -0.040 18701 5149 1 6 . 1 1 150 150 GLN N N 150 118.805 118.805 117.761 1.044 18701 5150 1 6 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.949 0.364 18701 5151 1 6 . 1 1 150 150 GLN C C 150 175.365 175.365 175.675 -0.310 18701 5152 1 6 . 1 1 150 150 GLN CA C 150 55.823 55.823 59.017 -3.194 18701 5153 1 6 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.287 -0.000 18701 5154 1 6 . 1 1 150 150 GLN H H 150 8.041 8.041 7.642 0.399 18701 5155 1 6 . 1 1 151 151 ARG N N 151 122.082 122.082 114.158 7.924 18701 5156 1 6 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.670 -0.308 18701 5157 1 6 . 1 1 151 151 ARG C C 151 175.213 175.213 174.015 1.198 18701 5158 1 6 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.867 0.465 18701 5159 1 6 . 1 1 151 151 ARG CB C 151 30.426 30.426 31.020 -0.594 18701 5160 1 6 . 1 1 151 151 ARG H H 151 8.221 8.221 7.643 0.578 18701 5161 1 7 . 1 1 2 2 ALA N N 2 126.155 126.155 126.398 -0.243 18701 5162 1 7 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.718 -0.376 18701 5163 1 7 . 1 1 2 2 ALA C C 2 177.458 177.458 175.299 2.159 18701 5164 1 7 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.208 0.608 18701 5165 1 7 . 1 1 2 2 ALA CB C 2 19.437 19.437 20.648 -1.210 18701 5166 1 7 . 1 1 2 2 ALA H H 2 8.404 8.404 7.774 0.630 18701 5167 1 7 . 1 1 3 3 SER N N 3 115.406 115.406 113.829 1.577 18701 5168 1 7 . 1 1 3 3 SER HA H 3 4.409 4.409 4.643 -0.234 18701 5169 1 7 . 1 1 3 3 SER C C 3 174.739 174.739 174.897 -0.158 18701 5170 1 7 . 1 1 3 3 SER CA C 3 58.346 58.346 58.135 0.211 18701 5171 1 7 . 1 1 3 3 SER CB C 3 64.207 64.207 64.095 0.112 18701 5172 1 7 . 1 1 3 3 SER H H 3 8.283 8.283 8.317 -0.034 18701 5173 1 7 . 1 1 4 4 GLY N N 4 110.853 110.853 109.300 1.553 18701 5174 1 7 . 1 1 4 4 GLY C C 4 173.502 173.502 173.925 -0.423 18701 5175 1 7 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.834 0.244 18701 5176 1 7 . 1 1 4 4 GLY H H 4 8.358 8.358 8.406 -0.048 18701 5177 1 7 . 1 1 5 5 VAL N N 5 119.781 119.781 119.127 0.654 18701 5178 1 7 . 1 1 5 5 VAL HA H 5 3.883 3.883 4.148 -0.265 18701 5179 1 7 . 1 1 5 5 VAL C C 5 175.390 175.390 174.902 0.488 18701 5180 1 7 . 1 1 5 5 VAL CA C 5 62.518 62.518 60.727 1.791 18701 5181 1 7 . 1 1 5 5 VAL CB C 5 32.705 32.705 33.429 -0.724 18701 5182 1 7 . 1 1 5 5 VAL H H 5 7.836 7.836 7.519 0.317 18701 5183 1 7 . 1 1 6 6 LYS N N 6 124.873 124.873 126.747 -1.874 18701 5184 1 7 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.527 -0.058 18701 5185 1 7 . 1 1 6 6 LYS C C 6 175.278 175.278 175.634 -0.356 18701 5186 1 7 . 1 1 6 6 LYS CA C 6 54.927 54.927 53.879 1.048 18701 5187 1 7 . 1 1 6 6 LYS CB C 6 34.577 34.577 34.225 0.352 18701 5188 1 7 . 1 1 6 6 LYS H H 6 7.988 7.988 8.411 -0.423 18701 5189 1 7 . 1 1 7 7 VAL N N 7 122.213 122.213 117.885 4.328 18701 5190 1 7 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.074 -0.191 18701 5191 1 7 . 1 1 7 7 VAL C C 7 175.756 175.756 175.023 0.733 18701 5192 1 7 . 1 1 7 7 VAL CA C 7 62.334 62.334 60.990 1.344 18701 5193 1 7 . 1 1 7 7 VAL CB C 7 32.054 32.054 32.257 -0.203 18701 5194 1 7 . 1 1 7 7 VAL H H 7 8.757 8.757 8.110 0.647 18701 5195 1 7 . 1 1 8 8 ASP N N 8 131.718 131.718 126.775 4.943 18701 5196 1 7 . 1 1 8 8 ASP HA H 8 4.673 4.673 5.061 -0.388 18701 5197 1 7 . 1 1 8 8 ASP C C 8 176.237 176.237 175.437 0.800 18701 5198 1 7 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.856 3.583 18701 5199 1 7 . 1 1 8 8 ASP CB C 8 44.590 44.590 44.197 0.393 18701 5200 1 7 . 1 1 8 8 ASP H H 8 8.820 8.820 8.281 0.539 18701 5201 1 7 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.317 0.067 18701 5202 1 7 . 1 1 9 9 PRO C C 9 177.535 177.535 178.501 -0.966 18701 5203 1 7 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.817 0.692 18701 5204 1 7 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.100 -0.046 18701 5205 1 7 . 1 1 10 10 SER N N 10 113.842 113.842 115.642 -1.800 18701 5206 1 7 . 1 1 10 10 SER HA H 10 4.265 4.265 4.378 -0.113 18701 5207 1 7 . 1 1 10 10 SER C C 10 177.666 177.666 176.742 0.924 18701 5208 1 7 . 1 1 10 10 SER CA C 10 61.541 61.541 62.396 -0.855 18701 5209 1 7 . 1 1 10 10 SER CB C 10 62.660 62.660 63.024 -0.364 18701 5210 1 7 . 1 1 10 10 SER H H 10 8.811 8.811 9.201 -0.390 18701 5211 1 7 . 1 1 11 11 CYS N N 11 121.231 121.231 119.700 1.531 18701 5212 1 7 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.587 -0.441 18701 5213 1 7 . 1 1 11 11 CYS C C 11 176.211 176.211 176.874 -0.663 18701 5214 1 7 . 1 1 11 11 CYS CA C 11 62.986 62.986 60.661 2.325 18701 5215 1 7 . 1 1 11 11 CYS CB C 11 27.496 27.496 28.122 -0.626 18701 5216 1 7 . 1 1 11 11 CYS H H 11 8.459 8.459 7.866 0.593 18701 5217 1 7 . 1 1 12 12 LYS N N 12 119.862 119.862 122.234 -2.372 18701 5218 1 7 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.102 -0.156 18701 5219 1 7 . 1 1 12 12 LYS C C 12 177.687 177.687 178.510 -0.823 18701 5220 1 7 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.848 0.393 18701 5221 1 7 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.892 0.569 18701 5222 1 7 . 1 1 12 12 LYS H H 12 7.615 7.615 7.974 -0.359 18701 5223 1 7 . 1 1 13 13 ASN N N 13 116.871 116.871 118.546 -1.675 18701 5224 1 7 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.784 -0.316 18701 5225 1 7 . 1 1 13 13 ASN C C 13 177.297 177.297 177.409 -0.112 18701 5226 1 7 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.521 0.116 18701 5227 1 7 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.621 -0.136 18701 5228 1 7 . 1 1 13 13 ASN H H 13 7.489 7.489 8.395 -0.906 18701 5229 1 7 . 1 1 14 14 ALA N N 14 119.990 119.990 121.949 -1.959 18701 5230 1 7 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.272 -0.031 18701 5231 1 7 . 1 1 14 14 ALA C C 14 179.077 179.077 179.188 -0.111 18701 5232 1 7 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.803 0.774 18701 5233 1 7 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.367 0.094 18701 5234 1 7 . 1 1 14 14 ALA H H 14 8.054 8.054 8.023 0.031 18701 5235 1 7 . 1 1 15 15 TYR N N 15 118.280 118.280 119.649 -1.369 18701 5236 1 7 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.323 -0.272 18701 5237 1 7 . 1 1 15 15 TYR C C 15 177.123 177.123 177.400 -0.277 18701 5238 1 7 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.786 0.955 18701 5239 1 7 . 1 1 15 15 TYR CB C 15 39.461 39.461 39.066 0.395 18701 5240 1 7 . 1 1 15 15 TYR H H 15 8.380 8.380 7.952 0.428 18701 5241 1 7 . 1 1 16 16 ASP N N 16 121.008 121.008 121.109 -0.101 18701 5242 1 7 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.435 -0.133 18701 5243 1 7 . 1 1 16 16 ASP C C 16 179.185 179.185 178.730 0.455 18701 5244 1 7 . 1 1 16 16 ASP CA C 16 58.102 58.102 58.156 -0.054 18701 5245 1 7 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.466 -0.109 18701 5246 1 7 . 1 1 16 16 ASP H H 16 8.722 8.722 8.779 -0.057 18701 5247 1 7 . 1 1 17 17 LEU N N 17 119.368 119.368 118.120 1.248 18701 5248 1 7 . 1 1 17 17 LEU HA H 17 3.867 3.867 3.970 -0.102 18701 5249 1 7 . 1 1 17 17 LEU C C 17 178.708 178.708 179.116 -0.408 18701 5250 1 7 . 1 1 17 17 LEU CA C 17 58.102 58.102 57.827 0.275 18701 5251 1 7 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.626 0.440 18701 5252 1 7 . 1 1 17 17 LEU H H 17 7.477 7.477 8.014 -0.537 18701 5253 1 7 . 1 1 18 18 LEU N N 18 121.503 121.503 115.304 6.199 18701 5254 1 7 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.167 -0.069 18701 5255 1 7 . 1 1 18 18 LEU C C 18 176.580 176.580 178.767 -2.187 18701 5256 1 7 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.327 2.575 18701 5257 1 7 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.039 2.586 18701 5258 1 7 . 1 1 18 18 LEU H H 18 7.762 7.762 7.520 0.242 18701 5259 1 7 . 1 1 19 19 HIS N N 19 116.605 116.605 118.977 -2.372 18701 5260 1 7 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.204 -0.463 18701 5261 1 7 . 1 1 19 19 HIS C C 19 174.627 174.627 176.058 -1.431 18701 5262 1 7 . 1 1 19 19 HIS CA C 19 58.904 58.904 58.832 0.072 18701 5263 1 7 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.497 -0.478 18701 5264 1 7 . 1 1 19 19 HIS H H 19 8.983 8.983 8.539 0.444 18701 5265 1 7 . 1 1 20 20 ASN N N 20 112.497 112.497 116.753 -4.256 18701 5266 1 7 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.580 -0.015 18701 5267 1 7 . 1 1 20 20 ASN C C 20 176.624 176.624 176.515 0.109 18701 5268 1 7 . 1 1 20 20 ASN CA C 20 54.195 54.195 54.844 -0.650 18701 5269 1 7 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.179 -0.599 18701 5270 1 7 . 1 1 20 20 ASN H H 20 8.308 8.308 8.552 -0.244 18701 5271 1 7 . 1 1 21 21 LYS N N 21 113.544 113.544 117.333 -3.789 18701 5272 1 7 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.305 0.103 18701 5273 1 7 . 1 1 21 21 LYS C C 21 175.669 175.669 176.442 -0.773 18701 5274 1 7 . 1 1 21 21 LYS CA C 21 55.291 55.291 55.952 -0.661 18701 5275 1 7 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.995 0.280 18701 5276 1 7 . 1 1 21 21 LYS H H 21 6.621 6.621 7.751 -1.130 18701 5277 1 7 . 1 1 22 22 HIS N N 22 115.701 115.701 117.119 -1.418 18701 5278 1 7 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.347 0.372 18701 5279 1 7 . 1 1 22 22 HIS C C 22 174.670 174.670 174.957 -0.287 18701 5280 1 7 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.541 -0.209 18701 5281 1 7 . 1 1 22 22 HIS CB C 22 25.721 25.721 27.661 -1.940 18701 5282 1 7 . 1 1 22 22 HIS H H 22 6.838 6.838 7.958 -1.120 18701 5283 1 7 . 1 1 23 23 GLN N N 23 114.330 114.330 117.399 -3.069 18701 5284 1 7 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.954 0.061 18701 5285 1 7 . 1 1 23 23 GLN C C 23 174.041 174.041 173.670 0.371 18701 5286 1 7 . 1 1 23 23 GLN CA C 23 56.311 56.311 57.325 -1.014 18701 5287 1 7 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.052 1.633 18701 5288 1 7 . 1 1 23 23 GLN H H 23 8.028 8.028 7.557 0.471 18701 5289 1 7 . 1 1 24 24 HIS N N 24 111.043 111.043 111.596 -0.553 18701 5290 1 7 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.773 -0.627 18701 5291 1 7 . 1 1 24 24 HIS C C 24 175.083 175.083 174.169 0.914 18701 5292 1 7 . 1 1 24 24 HIS CA C 24 53.305 53.305 53.626 -0.320 18701 5293 1 7 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.748 0.097 18701 5294 1 7 . 1 1 24 24 HIS H H 24 6.670 6.670 7.200 -0.530 18701 5295 1 7 . 1 1 25 25 SER N N 25 115.307 115.307 114.429 0.878 18701 5296 1 7 . 1 1 25 25 SER HA H 25 4.600 4.600 4.351 0.249 18701 5297 1 7 . 1 1 25 25 SER C C 25 173.368 173.368 173.036 0.332 18701 5298 1 7 . 1 1 25 25 SER CA C 25 59.648 59.648 60.051 -0.403 18701 5299 1 7 . 1 1 25 25 SER CB C 25 64.532 64.532 65.244 -0.712 18701 5300 1 7 . 1 1 25 25 SER H H 25 7.591 7.591 7.959 -0.368 18701 5301 1 7 . 1 1 26 26 TYR N N 26 111.318 111.318 115.585 -4.267 18701 5302 1 7 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.573 -0.219 18701 5303 1 7 . 1 1 26 26 TYR C C 26 173.411 173.411 173.087 0.324 18701 5304 1 7 . 1 1 26 26 TYR CA C 26 56.392 56.392 55.406 0.987 18701 5305 1 7 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.432 -0.424 18701 5306 1 7 . 1 1 26 26 TYR H H 26 6.635 6.635 7.092 -0.457 18701 5307 1 7 . 1 1 27 27 ILE N N 27 119.710 119.710 120.734 -1.024 18701 5308 1 7 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.966 -0.437 18701 5309 1 7 . 1 1 27 27 ILE C C 27 174.323 174.323 173.535 0.788 18701 5310 1 7 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.056 1.650 18701 5311 1 7 . 1 1 27 27 ILE CB C 27 44.020 44.020 41.997 2.023 18701 5312 1 7 . 1 1 27 27 ILE H H 27 9.191 9.191 9.197 -0.006 18701 5313 1 7 . 1 1 28 28 ILE N N 28 125.249 125.249 127.003 -1.754 18701 5314 1 7 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.767 0.037 18701 5315 1 7 . 1 1 28 28 ILE C C 28 174.757 174.757 174.811 -0.054 18701 5316 1 7 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.214 0.737 18701 5317 1 7 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.699 0.414 18701 5318 1 7 . 1 1 28 28 ILE H H 28 9.049 9.049 9.120 -0.071 18701 5319 1 7 . 1 1 29 29 PHE N N 29 126.153 126.153 126.782 -0.629 18701 5320 1 7 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.610 0.115 18701 5321 1 7 . 1 1 29 29 PHE C C 29 174.193 174.193 174.759 -0.566 18701 5322 1 7 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.149 -0.326 18701 5323 1 7 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.241 0.639 18701 5324 1 7 . 1 1 29 29 PHE H H 29 9.514 9.514 9.663 -0.149 18701 5325 1 7 . 1 1 30 30 LYS N N 30 116.531 116.531 118.585 -2.054 18701 5326 1 7 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.948 0.203 18701 5327 1 7 . 1 1 30 30 LYS C C 30 173.411 173.411 174.486 -1.075 18701 5328 1 7 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.897 -0.621 18701 5329 1 7 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.153 1.029 18701 5330 1 7 . 1 1 30 30 LYS H H 30 8.950 8.950 9.373 -0.423 18701 5331 1 7 . 1 1 31 31 ILE N N 31 120.757 120.757 123.840 -3.083 18701 5332 1 7 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.910 -0.226 18701 5333 1 7 . 1 1 31 31 ILE C C 31 174.714 174.714 174.641 0.073 18701 5334 1 7 . 1 1 31 31 ILE CA C 31 61.846 61.846 60.583 1.263 18701 5335 1 7 . 1 1 31 31 ILE CB C 31 37.508 37.508 38.868 -1.360 18701 5336 1 7 . 1 1 31 31 ILE H H 31 8.256 8.256 8.779 -0.523 18701 5337 1 7 . 1 1 32 32 ASP N N 32 130.811 130.811 128.948 1.863 18701 5338 1 7 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.980 -0.535 18701 5339 1 7 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.248 0.415 18701 5340 1 7 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.835 -6.346 18701 5341 1 7 . 1 1 32 32 ASP H H 32 9.441 9.441 8.851 0.590 18701 5342 1 7 . 1 1 33 33 LYS HA H 33 4.314 4.314 3.940 0.374 18701 5343 1 7 . 1 1 33 33 LYS C C 33 174.759 174.759 175.737 -0.978 18701 5344 1 7 . 1 1 33 33 LYS CA C 33 56.230 56.230 57.006 -0.776 18701 5345 1 7 . 1 1 33 33 LYS CB C 33 29.205 29.205 31.925 -2.720 18701 5346 1 7 . 1 1 34 34 ASN N N 34 117.759 117.759 120.178 -2.419 18701 5347 1 7 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.565 0.119 18701 5348 1 7 . 1 1 34 34 ASN C C 34 174.736 174.736 175.841 -1.105 18701 5349 1 7 . 1 1 34 34 ASN CA C 34 54.151 54.151 54.780 -0.629 18701 5350 1 7 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.258 1.366 18701 5351 1 7 . 1 1 34 34 ASN H H 34 8.573 8.573 8.806 -0.233 18701 5352 1 7 . 1 1 35 35 ASP N N 35 115.713 115.713 117.809 -2.096 18701 5353 1 7 . 1 1 35 35 ASP C C 35 175.586 175.586 175.317 0.269 18701 5354 1 7 . 1 1 35 35 ASP CA C 35 54.043 54.043 54.136 -0.094 18701 5355 1 7 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.708 1.383 18701 5356 1 7 . 1 1 35 35 ASP H H 35 8.134 8.134 7.987 0.147 18701 5357 1 7 . 1 1 36 36 THR HA H 36 4.565 4.565 3.882 0.683 18701 5358 1 7 . 1 1 36 36 THR C C 36 175.517 175.517 172.864 2.653 18701 5359 1 7 . 1 1 36 36 THR CA C 36 62.579 62.579 62.795 -0.216 18701 5360 1 7 . 1 1 36 36 THR CB C 36 71.858 71.858 66.792 5.066 18701 5361 1 7 . 1 1 37 37 ALA N N 37 124.761 124.761 126.390 -1.629 18701 5362 1 7 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.667 -0.169 18701 5363 1 7 . 1 1 37 37 ALA C C 37 175.300 175.300 175.486 -0.186 18701 5364 1 7 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.370 1.111 18701 5365 1 7 . 1 1 37 37 ALA CB C 37 22.612 22.612 23.302 -0.690 18701 5366 1 7 . 1 1 37 37 ALA H H 37 8.054 8.054 7.934 0.120 18701 5367 1 7 . 1 1 38 38 ILE N N 38 121.171 121.171 120.935 0.236 18701 5368 1 7 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.719 -0.052 18701 5369 1 7 . 1 1 38 38 ILE C C 38 174.301 174.301 175.064 -0.763 18701 5370 1 7 . 1 1 38 38 ILE CA C 38 61.439 61.439 61.384 0.055 18701 5371 1 7 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.454 0.763 18701 5372 1 7 . 1 1 38 38 ILE H H 38 8.623 8.623 8.114 0.509 18701 5373 1 7 . 1 1 39 39 VAL N N 39 118.121 118.121 127.427 -9.306 18701 5374 1 7 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.617 0.056 18701 5375 1 7 . 1 1 39 39 VAL C C 39 174.974 174.974 174.103 0.871 18701 5376 1 7 . 1 1 39 39 VAL CA C 39 59.078 59.078 58.714 0.364 18701 5377 1 7 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.414 -0.941 18701 5378 1 7 . 1 1 39 39 VAL H H 39 9.083 9.083 9.104 -0.021 18701 5379 1 7 . 1 1 40 40 VAL N N 40 121.315 121.315 123.931 -2.616 18701 5380 1 7 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.141 -0.353 18701 5381 1 7 . 1 1 40 40 VAL C C 40 175.300 175.300 175.594 -0.294 18701 5382 1 7 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.983 -0.183 18701 5383 1 7 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.415 1.209 18701 5384 1 7 . 1 1 40 40 VAL H H 40 8.345 8.345 8.677 -0.332 18701 5385 1 7 . 1 1 41 41 GLU N N 41 130.920 130.920 128.468 2.452 18701 5386 1 7 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.412 -0.003 18701 5387 1 7 . 1 1 41 41 GLU C C 41 175.647 175.647 176.378 -0.731 18701 5388 1 7 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.614 -0.407 18701 5389 1 7 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.617 1.900 18701 5390 1 7 . 1 1 41 41 GLU H H 41 9.388 9.388 9.139 0.249 18701 5391 1 7 . 1 1 42 42 LYS N N 42 115.836 115.836 119.236 -3.400 18701 5392 1 7 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.489 0.165 18701 5393 1 7 . 1 1 42 42 LYS C C 42 173.715 173.715 173.612 0.103 18701 5394 1 7 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.400 -0.880 18701 5395 1 7 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.763 1.094 18701 5396 1 7 . 1 1 42 42 LYS H H 42 7.523 7.523 7.721 -0.198 18701 5397 1 7 . 1 1 43 43 VAL N N 43 118.472 118.472 124.986 -6.514 18701 5398 1 7 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.697 -0.252 18701 5399 1 7 . 1 1 43 43 VAL C C 43 174.931 174.931 174.727 0.204 18701 5400 1 7 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.587 0.060 18701 5401 1 7 . 1 1 43 43 VAL CB C 43 34.170 34.170 34.877 -0.707 18701 5402 1 7 . 1 1 43 43 VAL H H 43 8.315 8.315 8.405 -0.090 18701 5403 1 7 . 1 1 44 44 GLY N N 44 112.479 112.479 113.427 -0.948 18701 5404 1 7 . 1 1 44 44 GLY C C 44 174.149 174.149 172.751 1.398 18701 5405 1 7 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.330 0.055 18701 5406 1 7 . 1 1 44 44 GLY H H 44 7.953 7.953 8.808 -0.855 18701 5407 1 7 . 1 1 45 45 GLU N N 45 122.999 122.999 122.703 0.296 18701 5408 1 7 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.215 0.204 18701 5409 1 7 . 1 1 45 45 GLU C C 45 175.365 175.365 178.328 -2.963 18701 5410 1 7 . 1 1 45 45 GLU CA C 45 56.392 56.392 56.477 -0.085 18701 5411 1 7 . 1 1 45 45 GLU CB C 45 30.670 30.670 30.864 -0.194 18701 5412 1 7 . 1 1 45 45 GLU H H 45 8.949 8.949 8.537 0.412 18701 5413 1 7 . 1 1 48 48 ALA N N 48 124.687 124.687 123.810 0.877 18701 5414 1 7 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.416 0.005 18701 5415 1 7 . 1 1 48 48 ALA C C 48 176.210 176.210 175.441 0.769 18701 5416 1 7 . 1 1 48 48 ALA CA C 48 51.508 51.508 50.595 0.913 18701 5417 1 7 . 1 1 48 48 ALA CB C 48 17.647 17.647 18.212 -0.565 18701 5418 1 7 . 1 1 48 48 ALA H H 48 7.627 7.627 7.363 0.264 18701 5419 1 7 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.551 0.098 18701 5420 1 7 . 1 1 49 49 PRO C C 49 177.535 177.535 177.067 0.468 18701 5421 1 7 . 1 1 49 49 PRO CA C 49 62.497 62.497 61.831 0.666 18701 5422 1 7 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.716 -0.580 18701 5423 1 7 . 1 1 50 50 TYR N N 50 127.091 127.091 121.131 5.960 18701 5424 1 7 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.265 -0.204 18701 5425 1 7 . 1 1 50 50 TYR C C 50 177.427 177.427 178.172 -0.745 18701 5426 1 7 . 1 1 50 50 TYR CA C 50 62.660 62.660 61.726 0.934 18701 5427 1 7 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.184 1.056 18701 5428 1 7 . 1 1 50 50 TYR H H 50 9.065 9.065 8.525 0.539 18701 5429 1 7 . 1 1 51 51 ALA N N 51 117.547 117.547 122.174 -4.627 18701 5430 1 7 . 1 1 51 51 ALA HA H 51 4.075 4.075 4.090 -0.015 18701 5431 1 7 . 1 1 51 51 ALA C C 51 179.836 179.836 179.622 0.214 18701 5432 1 7 . 1 1 51 51 ALA CA C 51 55.009 55.009 55.390 -0.381 18701 5433 1 7 . 1 1 51 51 ALA CB C 51 19.030 19.030 18.126 0.904 18701 5434 1 7 . 1 1 51 51 ALA H H 51 8.910 8.910 8.536 0.374 18701 5435 1 7 . 1 1 52 52 GLU N N 52 117.688 117.688 119.376 -1.688 18701 5436 1 7 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.101 -0.075 18701 5437 1 7 . 1 1 52 52 GLU C C 52 177.970 177.970 178.751 -0.781 18701 5438 1 7 . 1 1 52 52 GLU CA C 52 59.241 59.241 59.420 -0.179 18701 5439 1 7 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.491 0.284 18701 5440 1 7 . 1 1 52 52 GLU H H 52 7.708 7.708 8.634 -0.926 18701 5441 1 7 . 1 1 53 53 PHE N N 53 120.303 120.303 120.348 -0.045 18701 5442 1 7 . 1 1 53 53 PHE HA H 53 2.974 2.974 4.019 -1.045 18701 5443 1 7 . 1 1 53 53 PHE C C 53 175.582 175.582 177.498 -1.916 18701 5444 1 7 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.933 -1.041 18701 5445 1 7 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.698 -2.004 18701 5446 1 7 . 1 1 53 53 PHE H H 53 6.778 6.778 7.664 -0.886 18701 5447 1 7 . 1 1 54 54 VAL N N 54 117.631 117.631 119.153 -1.522 18701 5448 1 7 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.337 -0.986 18701 5449 1 7 . 1 1 54 54 VAL C C 54 177.101 177.101 178.191 -1.090 18701 5450 1 7 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.409 0.484 18701 5451 1 7 . 1 1 54 54 VAL CB C 54 31.484 31.484 30.902 0.582 18701 5452 1 7 . 1 1 54 54 VAL H H 54 7.104 7.104 8.403 -1.299 18701 5453 1 7 . 1 1 55 55 GLU N N 55 118.253 118.253 119.812 -1.559 18701 5454 1 7 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.924 -0.184 18701 5455 1 7 . 1 1 55 55 GLU C C 55 178.859 178.859 179.174 -0.315 18701 5456 1 7 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.900 -0.984 18701 5457 1 7 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.343 -0.056 18701 5458 1 7 . 1 1 55 55 GLU H H 55 7.592 7.592 8.494 -0.902 18701 5459 1 7 . 1 1 56 56 GLU N N 56 118.908 118.908 118.961 -0.053 18701 5460 1 7 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.043 -0.196 18701 5461 1 7 . 1 1 56 56 GLU C C 56 179.272 179.272 178.722 0.550 18701 5462 1 7 . 1 1 56 56 GLU CA C 56 58.834 58.834 59.093 -0.259 18701 5463 1 7 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.210 -0.575 18701 5464 1 7 . 1 1 56 56 GLU H H 56 8.002 8.002 8.326 -0.324 18701 5465 1 7 . 1 1 57 57 MET N N 57 117.937 117.937 118.490 -0.553 18701 5466 1 7 . 1 1 57 57 MET HA H 57 3.799 3.799 4.177 -0.378 18701 5467 1 7 . 1 1 57 57 MET C C 57 177.514 177.514 177.658 -0.144 18701 5468 1 7 . 1 1 57 57 MET CA C 57 57.044 57.044 56.704 0.340 18701 5469 1 7 . 1 1 57 57 MET CB C 57 30.263 30.263 31.976 -1.713 18701 5470 1 7 . 1 1 57 57 MET H H 57 7.838 7.838 7.180 0.658 18701 5471 1 7 . 1 1 58 58 LYS N N 58 119.343 119.343 120.779 -1.436 18701 5472 1 7 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.874 -0.255 18701 5473 1 7 . 1 1 58 58 LYS C C 58 178.339 178.339 178.766 -0.427 18701 5474 1 7 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.656 0.562 18701 5475 1 7 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.226 0.561 18701 5476 1 7 . 1 1 58 58 LYS H H 58 8.341 8.341 8.300 0.041 18701 5477 1 7 . 1 1 59 59 LYS N N 59 114.611 114.611 115.739 -1.128 18701 5478 1 7 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.475 -0.581 18701 5479 1 7 . 1 1 59 59 LYS C C 59 178.404 178.404 178.318 0.086 18701 5480 1 7 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.534 0.382 18701 5481 1 7 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.768 1.019 18701 5482 1 7 . 1 1 59 59 LYS H H 59 7.126 7.126 8.097 -0.971 18701 5483 1 7 . 1 1 60 60 LEU N N 60 117.334 117.334 118.961 -1.627 18701 5484 1 7 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.173 -0.039 18701 5485 1 7 . 1 1 60 60 LEU C C 60 179.619 179.619 179.185 0.434 18701 5486 1 7 . 1 1 60 60 LEU CA C 60 56.718 56.718 57.055 -0.337 18701 5487 1 7 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.242 0.882 18701 5488 1 7 . 1 1 60 60 LEU H H 60 7.343 7.343 7.245 0.098 18701 5489 1 7 . 1 1 61 61 VAL N N 61 108.515 108.515 119.016 -10.501 18701 5490 1 7 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.636 0.808 18701 5491 1 7 . 1 1 61 61 VAL C C 61 177.753 177.753 177.723 0.030 18701 5492 1 7 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.263 -4.150 18701 5493 1 7 . 1 1 61 61 VAL CB C 61 31.973 31.973 30.698 1.275 18701 5494 1 7 . 1 1 61 61 VAL H H 61 7.730 7.730 7.727 0.003 18701 5495 1 7 . 1 1 62 62 GLU N N 62 123.907 123.907 118.508 5.399 18701 5496 1 7 . 1 1 62 62 GLU HA H 62 4.026 4.026 4.040 -0.014 18701 5497 1 7 . 1 1 62 62 GLU C C 62 176.602 176.602 177.644 -1.042 18701 5498 1 7 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.464 0.777 18701 5499 1 7 . 1 1 62 62 GLU CB C 62 29.205 29.205 29.229 -0.024 18701 5500 1 7 . 1 1 62 62 GLU H H 62 7.583 7.583 7.609 -0.026 18701 5501 1 7 . 1 1 63 63 ASP N N 63 118.203 118.203 117.332 0.871 18701 5502 1 7 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.533 -0.159 18701 5503 1 7 . 1 1 63 63 ASP C C 63 177.557 177.557 176.958 0.599 18701 5504 1 7 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.321 0.606 18701 5505 1 7 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.799 -1.768 18701 5506 1 7 . 1 1 63 63 ASP H H 63 8.584 8.584 7.724 0.860 18701 5507 1 7 . 1 1 64 64 GLY N N 64 107.534 107.534 108.461 -0.927 18701 5508 1 7 . 1 1 64 64 GLY C C 64 173.281 173.281 174.685 -1.404 18701 5509 1 7 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.099 1.218 18701 5510 1 7 . 1 1 64 64 GLY H H 64 8.036 8.036 7.496 0.540 18701 5511 1 7 . 1 1 65 65 LYS N N 65 115.632 115.632 123.405 -7.773 18701 5512 1 7 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.382 -0.176 18701 5513 1 7 . 1 1 65 65 LYS C C 65 176.233 176.233 175.850 0.383 18701 5514 1 7 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.595 0.878 18701 5515 1 7 . 1 1 65 65 LYS CB C 65 34.051 34.051 32.142 1.909 18701 5516 1 7 . 1 1 65 65 LYS H H 65 8.197 8.197 8.525 -0.328 18701 5517 1 7 . 1 1 66 66 GLU N N 66 118.786 118.786 120.079 -1.293 18701 5518 1 7 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.392 -0.138 18701 5519 1 7 . 1 1 66 66 GLU C C 66 174.063 174.063 175.446 -1.383 18701 5520 1 7 . 1 1 66 66 GLU CA C 66 55.823 55.823 55.793 0.030 18701 5521 1 7 . 1 1 66 66 GLU CB C 66 33.031 33.031 30.381 2.650 18701 5522 1 7 . 1 1 66 66 GLU H H 66 7.775 7.775 8.265 -0.490 18701 5523 1 7 . 1 1 67 67 CYS N N 67 114.372 114.372 119.130 -4.758 18701 5524 1 7 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.618 -0.412 18701 5525 1 7 . 1 1 67 67 CYS C C 67 175.517 175.517 173.062 2.455 18701 5526 1 7 . 1 1 67 67 CYS CA C 67 56.431 56.431 56.845 -0.414 18701 5527 1 7 . 1 1 67 67 CYS CB C 67 29.465 29.465 30.797 -1.333 18701 5528 1 7 . 1 1 67 67 CYS H H 67 7.586 7.586 8.391 -0.805 18701 5529 1 7 . 1 1 68 68 ARG N N 68 117.544 117.544 119.213 -1.669 18701 5530 1 7 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.862 -0.456 18701 5531 1 7 . 1 1 68 68 ARG C C 68 176.624 176.624 175.269 1.355 18701 5532 1 7 . 1 1 68 68 ARG CA C 68 55.334 55.334 53.949 1.385 18701 5533 1 7 . 1 1 68 68 ARG CB C 68 32.376 32.376 33.678 -1.302 18701 5534 1 7 . 1 1 68 68 ARG H H 68 7.682 7.682 8.600 -0.918 18701 5535 1 7 . 1 1 69 69 TYR N N 69 115.996 115.996 124.570 -8.574 18701 5536 1 7 . 1 1 69 69 TYR HA H 69 5.819 5.819 4.962 0.857 18701 5537 1 7 . 1 1 69 69 TYR C C 69 175.300 175.300 173.612 1.688 18701 5538 1 7 . 1 1 69 69 TYR CA C 69 54.379 54.379 57.329 -2.950 18701 5539 1 7 . 1 1 69 69 TYR CB C 69 41.998 41.998 41.541 0.457 18701 5540 1 7 . 1 1 69 69 TYR H H 69 8.139 8.139 9.057 -0.918 18701 5541 1 7 . 1 1 70 70 ALA N N 70 121.451 121.451 129.269 -7.818 18701 5542 1 7 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.421 0.315 18701 5543 1 7 . 1 1 70 70 ALA C C 70 174.367 174.367 175.087 -0.720 18701 5544 1 7 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.063 2.395 18701 5545 1 7 . 1 1 70 70 ALA CB C 70 24.158 24.158 22.928 1.230 18701 5546 1 7 . 1 1 70 70 ALA H H 70 9.334 9.334 8.578 0.756 18701 5547 1 7 . 1 1 71 71 ALA N N 71 121.815 121.815 126.843 -5.028 18701 5548 1 7 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.801 0.067 18701 5549 1 7 . 1 1 71 71 ALA C C 71 175.495 175.495 175.282 0.213 18701 5550 1 7 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.380 0.711 18701 5551 1 7 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.344 -0.790 18701 5552 1 7 . 1 1 71 71 ALA H H 71 9.059 9.059 9.382 -0.323 18701 5553 1 7 . 1 1 72 72 VAL N N 72 120.963 120.963 124.664 -3.701 18701 5554 1 7 . 1 1 72 72 VAL HA H 72 4.505 4.505 4.603 -0.098 18701 5555 1 7 . 1 1 72 72 VAL C C 72 173.194 173.194 173.779 -0.585 18701 5556 1 7 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.862 0.414 18701 5557 1 7 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.589 -0.523 18701 5558 1 7 . 1 1 72 72 VAL H H 72 8.665 8.665 8.739 -0.074 18701 5559 1 7 . 1 1 73 73 ASP N N 73 128.360 128.360 130.369 -2.009 18701 5560 1 7 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.382 -0.411 18701 5561 1 7 . 1 1 73 73 ASP C C 73 175.256 175.256 173.854 1.402 18701 5562 1 7 . 1 1 73 73 ASP CA C 73 53.891 53.891 52.752 1.139 18701 5563 1 7 . 1 1 73 73 ASP CB C 73 41.659 41.659 44.064 -2.405 18701 5564 1 7 . 1 1 73 73 ASP H H 73 8.896 8.896 8.958 -0.062 18701 5565 1 7 . 1 1 74 74 VAL N N 74 127.568 127.568 123.039 4.529 18701 5566 1 7 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.531 -0.337 18701 5567 1 7 . 1 1 74 74 VAL C C 74 173.846 173.846 173.803 0.043 18701 5568 1 7 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.584 2.262 18701 5569 1 7 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.239 -1.557 18701 5570 1 7 . 1 1 74 74 VAL H H 74 9.232 9.232 7.915 1.317 18701 5571 1 7 . 1 1 75 75 GLU N N 75 126.833 126.833 129.170 -2.337 18701 5572 1 7 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.671 0.168 18701 5573 1 7 . 1 1 75 75 GLU C C 75 175.799 175.799 175.061 0.738 18701 5574 1 7 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.413 1.165 18701 5575 1 7 . 1 1 75 75 GLU CB C 75 31.647 31.647 28.268 3.379 18701 5576 1 7 . 1 1 75 75 GLU H H 75 8.560 8.560 8.560 -0.000 18701 5577 1 7 . 1 1 76 76 VAL N N 76 123.421 123.421 126.611 -3.190 18701 5578 1 7 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.206 0.226 18701 5579 1 7 . 1 1 76 76 VAL C C 76 174.562 174.562 176.118 -1.556 18701 5580 1 7 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.416 -0.954 18701 5581 1 7 . 1 1 76 76 VAL CB C 76 34.822 34.822 31.971 2.851 18701 5582 1 7 . 1 1 76 76 VAL H H 76 9.032 9.032 7.884 1.148 18701 5583 1 7 . 1 1 77 77 THR N N 77 120.606 120.606 122.932 -2.326 18701 5584 1 7 . 1 1 77 77 THR HA H 77 4.876 4.876 4.473 0.403 18701 5585 1 7 . 1 1 77 77 THR C C 77 173.998 173.998 173.499 0.499 18701 5586 1 7 . 1 1 77 77 THR CA C 77 62.172 62.172 62.279 -0.107 18701 5587 1 7 . 1 1 77 77 THR CB C 77 70.067 70.067 68.035 2.032 18701 5588 1 7 . 1 1 77 77 THR H H 77 8.402 8.402 8.512 -0.110 18701 5589 1 7 . 1 1 78 78 VAL N N 78 122.942 122.942 127.310 -4.368 18701 5590 1 7 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.427 -0.043 18701 5591 1 7 . 1 1 78 78 VAL C C 78 174.605 174.605 174.363 0.242 18701 5592 1 7 . 1 1 78 78 VAL CA C 78 60.218 60.218 60.106 0.112 18701 5593 1 7 . 1 1 78 78 VAL CB C 78 34.740 34.740 35.928 -1.188 18701 5594 1 7 . 1 1 78 78 VAL H H 78 8.781 8.781 8.945 -0.164 18701 5595 1 7 . 1 1 79 79 GLN N N 79 123.562 123.562 124.175 -0.613 18701 5596 1 7 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.885 -0.505 18701 5597 1 7 . 1 1 79 79 GLN C C 79 175.647 175.647 175.165 0.482 18701 5598 1 7 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.777 -0.199 18701 5599 1 7 . 1 1 79 79 GLN CB C 79 29.531 29.531 28.909 0.622 18701 5600 1 7 . 1 1 79 79 GLN H H 79 8.527 8.527 8.560 -0.033 18701 5601 1 7 . 1 1 80 80 ARG N N 80 125.030 125.030 123.674 1.356 18701 5602 1 7 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.688 -0.411 18701 5603 1 7 . 1 1 80 80 ARG C C 80 175.864 175.864 174.992 0.872 18701 5604 1 7 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.261 2.643 18701 5605 1 7 . 1 1 80 80 ARG CB C 80 31.322 31.322 32.970 -1.648 18701 5606 1 7 . 1 1 80 80 ARG H H 80 8.516 8.516 7.997 0.519 18701 5607 1 7 . 1 1 81 81 GLN N N 81 122.473 122.473 119.584 2.889 18701 5608 1 7 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.119 0.086 18701 5609 1 7 . 1 1 81 81 GLN C C 81 176.776 176.776 177.157 -0.381 18701 5610 1 7 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.685 -1.060 18701 5611 1 7 . 1 1 81 81 GLN CB C 81 28.880 28.880 29.285 -0.406 18701 5612 1 7 . 1 1 81 81 GLN H H 81 8.609 8.609 8.748 -0.139 18701 5613 1 7 . 1 1 82 82 GLY N N 82 112.685 112.685 110.035 2.650 18701 5614 1 7 . 1 1 82 82 GLY C C 82 173.498 173.498 172.979 0.519 18701 5615 1 7 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.685 1.044 18701 5616 1 7 . 1 1 82 82 GLY H H 82 8.766 8.766 8.608 0.158 18701 5617 1 7 . 1 1 83 83 ALA N N 83 123.093 123.093 122.786 0.307 18701 5618 1 7 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.677 -0.268 18701 5619 1 7 . 1 1 83 83 ALA C C 83 176.971 176.971 175.544 1.427 18701 5620 1 7 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.404 0.761 18701 5621 1 7 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.468 -0.217 18701 5622 1 7 . 1 1 83 83 ALA H H 83 7.965 7.965 7.447 0.518 18701 5623 1 7 . 1 1 84 84 GLU N N 84 118.929 118.929 118.144 0.785 18701 5624 1 7 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.289 -0.035 18701 5625 1 7 . 1 1 84 84 GLU C C 84 176.928 176.928 176.277 0.651 18701 5626 1 7 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.673 0.371 18701 5627 1 7 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.890 0.536 18701 5628 1 7 . 1 1 84 84 GLU H H 84 8.390 8.390 8.463 -0.073 18701 5629 1 7 . 1 1 85 85 GLY N N 85 109.042 109.042 110.397 -1.355 18701 5630 1 7 . 1 1 85 85 GLY C C 85 173.607 173.607 173.207 0.400 18701 5631 1 7 . 1 1 85 85 GLY CA C 85 44.997 44.997 44.806 0.191 18701 5632 1 7 . 1 1 85 85 GLY H H 85 8.220 8.220 7.900 0.320 18701 5633 1 7 . 1 1 86 86 THR N N 86 112.014 112.014 114.851 -2.837 18701 5634 1 7 . 1 1 86 86 THR HA H 86 4.792 4.792 4.183 0.609 18701 5635 1 7 . 1 1 86 86 THR C C 86 174.280 174.280 173.358 0.922 18701 5636 1 7 . 1 1 86 86 THR CA C 86 61.113 61.113 63.160 -2.047 18701 5637 1 7 . 1 1 86 86 THR CB C 86 71.532 71.532 67.911 3.621 18701 5638 1 7 . 1 1 86 86 THR H H 86 8.172 8.172 8.047 0.125 18701 5639 1 7 . 1 1 87 87 SER N N 87 117.161 117.161 122.339 -5.178 18701 5640 1 7 . 1 1 87 87 SER HA H 87 4.744 4.744 4.755 -0.011 18701 5641 1 7 . 1 1 87 87 SER C C 87 172.956 172.956 173.448 -0.492 18701 5642 1 7 . 1 1 87 87 SER CA C 87 57.532 57.532 56.662 0.870 18701 5643 1 7 . 1 1 87 87 SER CB C 87 65.428 65.428 64.330 1.098 18701 5644 1 7 . 1 1 87 87 SER H H 87 8.782 8.782 8.786 -0.004 18701 5645 1 7 . 1 1 88 88 THR N N 88 116.763 116.763 120.425 -3.662 18701 5646 1 7 . 1 1 88 88 THR HA H 88 5.151 5.151 4.818 0.333 18701 5647 1 7 . 1 1 88 88 THR C C 88 173.650 173.650 174.157 -0.507 18701 5648 1 7 . 1 1 88 88 THR CA C 88 61.439 61.439 60.932 0.507 18701 5649 1 7 . 1 1 88 88 THR CB C 88 71.125 71.125 69.215 1.911 18701 5650 1 7 . 1 1 88 88 THR H H 88 8.404 8.404 8.703 -0.299 18701 5651 1 7 . 1 1 89 89 LEU N N 89 126.308 126.308 128.607 -2.299 18701 5652 1 7 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.548 0.064 18701 5653 1 7 . 1 1 89 89 LEU C C 89 174.171 174.171 176.281 -2.110 18701 5654 1 7 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.931 0.253 18701 5655 1 7 . 1 1 89 89 LEU CB C 89 45.078 45.078 43.123 1.955 18701 5656 1 7 . 1 1 89 89 LEU H H 89 9.039 9.039 7.853 1.186 18701 5657 1 7 . 1 1 90 90 ASN N N 90 120.749 120.749 124.739 -3.990 18701 5658 1 7 . 1 1 90 90 ASN HA H 90 5.641 5.641 4.624 1.017 18701 5659 1 7 . 1 1 90 90 ASN C C 90 174.757 174.757 174.299 0.458 18701 5660 1 7 . 1 1 90 90 ASN CA C 90 53.381 53.381 54.379 -0.998 18701 5661 1 7 . 1 1 90 90 ASN CB C 90 40.764 40.764 38.727 2.037 18701 5662 1 7 . 1 1 90 90 ASN H H 90 8.347 8.347 8.891 -0.544 18701 5663 1 7 . 1 1 91 91 LYS N N 91 123.843 123.843 126.987 -3.144 18701 5664 1 7 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.675 0.021 18701 5665 1 7 . 1 1 91 91 LYS C C 91 173.629 173.629 174.955 -1.326 18701 5666 1 7 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.688 -0.374 18701 5667 1 7 . 1 1 91 91 LYS CB C 91 36.531 36.531 34.557 1.974 18701 5668 1 7 . 1 1 91 91 LYS H H 91 9.087 9.087 7.717 1.370 18701 5669 1 7 . 1 1 92 92 VAL N N 92 123.150 123.150 126.851 -3.701 18701 5670 1 7 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.665 0.438 18701 5671 1 7 . 1 1 92 92 VAL C C 92 175.517 175.517 174.658 0.859 18701 5672 1 7 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.293 0.390 18701 5673 1 7 . 1 1 92 92 VAL CB C 92 31.973 31.973 33.511 -1.538 18701 5674 1 7 . 1 1 92 92 VAL H H 92 8.479 8.479 8.757 -0.278 18701 5675 1 7 . 1 1 93 93 ILE N N 93 120.433 120.433 127.744 -7.311 18701 5676 1 7 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.623 0.731 18701 5677 1 7 . 1 1 93 93 ILE C C 93 174.215 174.215 173.668 0.547 18701 5678 1 7 . 1 1 93 93 ILE CA C 93 59.262 59.262 58.658 0.604 18701 5679 1 7 . 1 1 93 93 ILE CB C 93 41.008 41.008 42.099 -1.091 18701 5680 1 7 . 1 1 93 93 ILE H H 93 9.155 9.155 8.767 0.388 18701 5681 1 7 . 1 1 94 94 PHE N N 94 122.349 122.349 124.996 -2.647 18701 5682 1 7 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.270 0.311 18701 5683 1 7 . 1 1 94 94 PHE C C 94 173.042 173.042 174.854 -1.812 18701 5684 1 7 . 1 1 94 94 PHE CA C 94 56.397 56.397 55.406 0.991 18701 5685 1 7 . 1 1 94 94 PHE CB C 94 42.392 42.392 40.189 2.203 18701 5686 1 7 . 1 1 94 94 PHE H H 94 9.002 9.002 8.173 0.829 18701 5687 1 7 . 1 1 95 95 VAL N N 95 126.937 126.937 124.547 2.390 18701 5688 1 7 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.683 0.023 18701 5689 1 7 . 1 1 95 95 VAL C C 95 174.128 174.128 174.228 -0.100 18701 5690 1 7 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.646 -0.138 18701 5691 1 7 . 1 1 95 95 VAL CB C 95 35.554 35.554 32.192 3.362 18701 5692 1 7 . 1 1 95 95 VAL H H 95 8.978 8.978 9.294 -0.316 18701 5693 1 7 . 1 1 96 96 GLN N N 96 124.946 124.946 127.229 -2.283 18701 5694 1 7 . 1 1 96 96 GLN HA H 96 4.732 4.732 3.959 0.773 18701 5695 1 7 . 1 1 96 96 GLN C C 96 172.912 172.912 174.569 -1.657 18701 5696 1 7 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.305 1.116 18701 5697 1 7 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.734 1.669 18701 5698 1 7 . 1 1 96 96 GLN H H 96 8.516 8.516 8.551 -0.035 18701 5699 1 7 . 1 1 97 97 TYR N N 97 129.236 129.236 128.271 0.965 18701 5700 1 7 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.262 -0.243 18701 5701 1 7 . 1 1 97 97 TYR C C 97 174.844 174.844 175.576 -0.732 18701 5702 1 7 . 1 1 97 97 TYR CA C 97 57.244 57.244 55.980 1.264 18701 5703 1 7 . 1 1 97 97 TYR CB C 97 41.252 41.252 37.451 3.801 18701 5704 1 7 . 1 1 97 97 TYR H H 97 9.030 9.030 8.063 0.967 18701 5705 1 7 . 1 1 98 98 CYS N N 98 127.084 127.084 122.614 4.470 18701 5706 1 7 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.828 -0.096 18701 5707 1 7 . 1 1 98 98 CYS CA C 98 54.602 54.602 54.620 -0.018 18701 5708 1 7 . 1 1 98 98 CYS CB C 98 29.042 29.042 29.543 -0.501 18701 5709 1 7 . 1 1 98 98 CYS H H 98 8.227 8.227 9.048 -0.821 18701 5710 1 7 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.528 0.215 18701 5711 1 7 . 1 1 99 99 PRO C C 99 177.492 177.492 177.882 -0.390 18701 5712 1 7 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.644 -0.065 18701 5713 1 7 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.791 -0.330 18701 5714 1 7 . 1 1 100 100 ASP N N 100 120.420 120.420 122.970 -2.550 18701 5715 1 7 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.313 -0.095 18701 5716 1 7 . 1 1 100 100 ASP C C 100 176.993 176.993 176.467 0.526 18701 5717 1 7 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.456 0.913 18701 5718 1 7 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.998 -0.316 18701 5719 1 7 . 1 1 100 100 ASP H H 100 8.584 8.584 8.673 -0.089 18701 5720 1 7 . 1 1 101 101 ASN N N 101 112.580 112.580 116.163 -3.583 18701 5721 1 7 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.698 0.093 18701 5722 1 7 . 1 1 101 101 ASN C C 101 175.256 175.256 174.291 0.965 18701 5723 1 7 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.342 0.442 18701 5724 1 7 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.525 -0.447 18701 5725 1 7 . 1 1 101 101 ASN H H 101 8.055 8.055 8.117 -0.062 18701 5726 1 7 . 1 1 102 102 ALA N N 102 123.140 123.140 124.659 -1.519 18701 5727 1 7 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.606 -0.065 18701 5728 1 7 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.134 1.413 18701 5729 1 7 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.626 -1.224 18701 5730 1 7 . 1 1 102 102 ALA H H 102 7.207 7.207 7.411 -0.204 18701 5731 1 7 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.367 0.065 18701 5732 1 7 . 1 1 103 103 PRO C C 103 178.208 178.208 177.750 0.458 18701 5733 1 7 . 1 1 103 103 PRO CA C 103 63.148 63.148 63.384 -0.236 18701 5734 1 7 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.176 0.204 18701 5735 1 7 . 1 1 104 104 VAL N N 104 125.953 125.953 125.804 0.149 18701 5736 1 7 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.582 0.014 18701 5737 1 7 . 1 1 104 104 VAL C C 104 177.210 177.210 178.039 -0.829 18701 5738 1 7 . 1 1 104 104 VAL CA C 104 66.893 66.893 67.124 -0.231 18701 5739 1 7 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.839 0.134 18701 5740 1 7 . 1 1 104 104 VAL H H 104 8.747 8.747 8.487 0.260 18701 5741 1 7 . 1 1 105 105 ARG N N 105 118.556 118.556 119.266 -0.710 18701 5742 1 7 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.145 -0.060 18701 5743 1 7 . 1 1 105 105 ARG C C 105 179.185 179.185 179.096 0.089 18701 5744 1 7 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.136 0.512 18701 5745 1 7 . 1 1 105 105 ARG CB C 105 29.694 29.694 28.924 0.770 18701 5746 1 7 . 1 1 105 105 ARG H H 105 8.866 8.866 8.420 0.446 18701 5747 1 7 . 1 1 106 106 ARG N N 106 118.188 118.188 119.377 -1.189 18701 5748 1 7 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.085 0.133 18701 5749 1 7 . 1 1 106 106 ARG C C 106 177.991 177.991 178.391 -0.400 18701 5750 1 7 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.558 -0.979 18701 5751 1 7 . 1 1 106 106 ARG CB C 106 30.101 30.101 29.967 0.134 18701 5752 1 7 . 1 1 106 106 ARG H H 106 7.140 7.140 8.422 -1.282 18701 5753 1 7 . 1 1 107 107 ARG N N 107 119.484 119.484 118.650 0.834 18701 5754 1 7 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.338 -0.323 18701 5755 1 7 . 1 1 107 107 ARG C C 107 179.424 179.424 179.075 0.349 18701 5756 1 7 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.339 2.286 18701 5757 1 7 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.407 0.856 18701 5758 1 7 . 1 1 107 107 ARG H H 107 8.246 8.246 7.826 0.420 18701 5759 1 7 . 1 1 108 108 MET N N 108 117.193 117.193 118.557 -1.364 18701 5760 1 7 . 1 1 108 108 MET HA H 108 4.218 4.218 4.284 -0.066 18701 5761 1 7 . 1 1 108 108 MET C C 108 178.968 178.968 177.156 1.812 18701 5762 1 7 . 1 1 108 108 MET CA C 108 58.671 58.671 59.019 -0.348 18701 5763 1 7 . 1 1 108 108 MET CB C 108 32.380 32.380 32.500 -0.120 18701 5764 1 7 . 1 1 108 108 MET H H 108 8.599 8.599 8.280 0.319 18701 5765 1 7 . 1 1 109 109 LEU N N 109 123.421 123.421 119.078 4.343 18701 5766 1 7 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.982 0.212 18701 5767 1 7 . 1 1 109 109 LEU C C 109 180.444 180.444 179.278 1.166 18701 5768 1 7 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.098 1.085 18701 5769 1 7 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.679 0.713 18701 5770 1 7 . 1 1 109 109 LEU H H 109 7.924 7.924 7.601 0.323 18701 5771 1 7 . 1 1 110 110 TYR N N 110 120.798 120.798 121.117 -0.319 18701 5772 1 7 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.101 0.092 18701 5773 1 7 . 1 1 110 110 TYR C C 110 180.574 180.574 178.014 2.560 18701 5774 1 7 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.476 0.126 18701 5775 1 7 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.433 -0.600 18701 5776 1 7 . 1 1 110 110 TYR H H 110 8.761 8.761 8.330 0.431 18701 5777 1 7 . 1 1 111 111 ALA N N 111 123.703 123.703 118.763 4.940 18701 5778 1 7 . 1 1 111 111 ALA HA H 111 4.362 4.362 4.047 0.315 18701 5779 1 7 . 1 1 111 111 ALA C C 111 180.314 180.314 179.484 0.830 18701 5780 1 7 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.925 0.735 18701 5781 1 7 . 1 1 111 111 ALA CB C 111 18.461 18.461 17.850 0.611 18701 5782 1 7 . 1 1 111 111 ALA H H 111 8.668 8.668 8.404 0.264 18701 5783 1 7 . 1 1 112 112 SER N N 112 112.404 112.404 113.483 -1.079 18701 5784 1 7 . 1 1 112 112 SER HA H 112 4.360 4.360 4.418 -0.058 18701 5785 1 7 . 1 1 112 112 SER C C 112 176.949 176.949 175.677 1.272 18701 5786 1 7 . 1 1 112 112 SER CA C 112 60.869 60.869 60.573 0.296 18701 5787 1 7 . 1 1 112 112 SER CB C 112 63.474 63.474 63.356 0.118 18701 5788 1 7 . 1 1 112 112 SER H H 112 8.532 8.532 7.519 1.013 18701 5789 1 7 . 1 1 113 113 SER N N 113 115.828 115.828 116.273 -0.445 18701 5790 1 7 . 1 1 113 113 SER HA H 113 4.552 4.552 4.409 0.143 18701 5791 1 7 . 1 1 113 113 SER C C 113 173.390 173.390 175.299 -1.909 18701 5792 1 7 . 1 1 113 113 SER CA C 113 60.218 60.218 59.349 0.869 18701 5793 1 7 . 1 1 113 113 SER CB C 113 63.393 63.393 62.619 0.774 18701 5794 1 7 . 1 1 113 113 SER H H 113 7.607 7.607 7.591 0.016 18701 5795 1 7 . 1 1 114 114 VAL N N 114 119.484 119.484 123.600 -4.116 18701 5796 1 7 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.165 0.192 18701 5797 1 7 . 1 1 114 114 VAL C C 114 176.016 176.016 177.345 -1.329 18701 5798 1 7 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.713 -2.099 18701 5799 1 7 . 1 1 114 114 VAL CB C 114 31.891 31.891 30.995 0.896 18701 5800 1 7 . 1 1 114 114 VAL H H 114 6.999 6.999 7.172 -0.173 18701 5801 1 7 . 1 1 115 115 ARG N N 115 121.686 121.686 119.016 2.670 18701 5802 1 7 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.787 -0.087 18701 5803 1 7 . 1 1 115 115 ARG C C 115 178.360 178.360 177.728 0.632 18701 5804 1 7 . 1 1 115 115 ARG CA C 115 59.892 59.892 59.305 0.587 18701 5805 1 7 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.531 -0.326 18701 5806 1 7 . 1 1 115 115 ARG H H 115 7.740 7.740 8.410 -0.670 18701 5807 1 7 . 1 1 116 116 ALA N N 116 121.346 121.346 121.099 0.247 18701 5808 1 7 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.040 -0.001 18701 5809 1 7 . 1 1 116 116 ALA C C 116 180.335 180.335 179.499 0.836 18701 5810 1 7 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.700 0.064 18701 5811 1 7 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.122 -0.231 18701 5812 1 7 . 1 1 116 116 ALA H H 116 7.737 7.737 7.274 0.463 18701 5813 1 7 . 1 1 117 117 LEU N N 117 119.203 119.203 116.272 2.931 18701 5814 1 7 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.732 -0.077 18701 5815 1 7 . 1 1 117 117 LEU C C 117 177.449 177.449 178.490 -1.041 18701 5816 1 7 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.474 0.383 18701 5817 1 7 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.367 1.211 18701 5818 1 7 . 1 1 117 117 LEU H H 117 6.785 6.785 7.430 -0.645 18701 5819 1 7 . 1 1 118 118 LYS N N 118 114.804 114.804 119.492 -4.688 18701 5820 1 7 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.931 0.431 18701 5821 1 7 . 1 1 118 118 LYS C C 118 178.686 178.686 178.109 0.577 18701 5822 1 7 . 1 1 118 118 LYS CA C 118 59.974 59.974 58.930 1.044 18701 5823 1 7 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.431 0.030 18701 5824 1 7 . 1 1 118 118 LYS H H 118 8.132 8.132 7.737 0.395 18701 5825 1 7 . 1 1 119 119 ALA N N 119 119.833 119.833 120.371 -0.538 18701 5826 1 7 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.415 -0.258 18701 5827 1 7 . 1 1 119 119 ALA C C 119 180.183 180.183 180.467 -0.284 18701 5828 1 7 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.816 -0.377 18701 5829 1 7 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.219 0.160 18701 5830 1 7 . 1 1 119 119 ALA H H 119 8.068 8.068 7.504 0.564 18701 5831 1 7 . 1 1 120 120 SER N N 120 112.312 112.312 115.131 -2.819 18701 5832 1 7 . 1 1 120 120 SER HA H 120 4.073 4.073 4.211 -0.138 18701 5833 1 7 . 1 1 120 120 SER C C 120 175.799 175.799 175.652 0.147 18701 5834 1 7 . 1 1 120 120 SER CA C 120 61.602 61.602 60.623 0.979 18701 5835 1 7 . 1 1 120 120 SER CB C 120 63.555 63.555 63.025 0.530 18701 5836 1 7 . 1 1 120 120 SER H H 120 7.713 7.713 8.193 -0.480 18701 5837 1 7 . 1 1 121 121 LEU N N 121 116.812 116.812 118.075 -1.263 18701 5838 1 7 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.215 -0.130 18701 5839 1 7 . 1 1 121 121 LEU C C 121 176.125 176.125 176.822 -0.697 18701 5840 1 7 . 1 1 121 121 LEU CA C 121 55.904 55.904 54.118 1.786 18701 5841 1 7 . 1 1 121 121 LEU CB C 121 41.252 41.252 42.015 -0.763 18701 5842 1 7 . 1 1 121 121 LEU H H 121 7.272 7.272 7.278 -0.006 18701 5843 1 7 . 1 1 122 122 GLY N N 122 108.734 108.734 106.953 1.781 18701 5844 1 7 . 1 1 122 122 GLY C C 122 176.754 176.754 175.269 1.485 18701 5845 1 7 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.751 1.525 18701 5846 1 7 . 1 1 122 122 GLY H H 122 7.377 7.377 7.384 -0.007 18701 5847 1 7 . 1 1 123 123 LEU N N 123 116.950 116.950 119.483 -2.533 18701 5848 1 7 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.495 -0.350 18701 5849 1 7 . 1 1 123 123 LEU C C 123 178.187 178.187 177.876 0.311 18701 5850 1 7 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.679 0.271 18701 5851 1 7 . 1 1 123 123 LEU CB C 123 41.903 41.903 41.012 0.891 18701 5852 1 7 . 1 1 123 123 LEU H H 123 8.201 8.201 7.470 0.731 18701 5853 1 7 . 1 1 124 124 GLU N N 124 120.328 120.328 121.213 -0.885 18701 5854 1 7 . 1 1 124 124 GLU HA H 124 3.704 3.704 3.986 -0.282 18701 5855 1 7 . 1 1 124 124 GLU C C 124 176.970 176.970 178.067 -1.097 18701 5856 1 7 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.942 0.520 18701 5857 1 7 . 1 1 124 124 GLU CB C 124 29.205 29.205 29.149 0.056 18701 5858 1 7 . 1 1 124 124 GLU H H 124 9.213 9.213 8.776 0.437 18701 5859 1 7 . 1 1 125 125 SER N N 125 110.938 110.938 114.283 -3.345 18701 5860 1 7 . 1 1 125 125 SER HA H 125 4.456 4.456 4.506 -0.050 18701 5861 1 7 . 1 1 125 125 SER C C 125 174.475 174.475 173.995 0.480 18701 5862 1 7 . 1 1 125 125 SER CA C 125 58.590 58.590 58.307 0.283 18701 5863 1 7 . 1 1 125 125 SER CB C 125 63.555 63.555 63.142 0.413 18701 5864 1 7 . 1 1 125 125 SER H H 125 8.308 8.308 8.456 -0.148 18701 5865 1 7 . 1 1 126 126 LEU N N 126 121.193 121.193 121.358 -0.165 18701 5866 1 7 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.616 -0.147 18701 5867 1 7 . 1 1 126 126 LEU C C 126 177.774 177.774 175.649 2.125 18701 5868 1 7 . 1 1 126 126 LEU CA C 126 54.927 54.927 54.142 0.785 18701 5869 1 7 . 1 1 126 126 LEU CB C 126 42.066 42.066 43.479 -1.413 18701 5870 1 7 . 1 1 126 126 LEU H H 126 7.178 7.178 7.397 -0.219 18701 5871 1 7 . 1 1 127 127 PHE N N 127 125.109 125.109 119.527 5.582 18701 5872 1 7 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.811 -0.463 18701 5873 1 7 . 1 1 127 127 PHE C C 127 173.542 173.542 174.239 -0.697 18701 5874 1 7 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.290 2.526 18701 5875 1 7 . 1 1 127 127 PHE CB C 127 39.950 39.950 42.366 -2.416 18701 5876 1 7 . 1 1 127 127 PHE H H 127 9.050 9.050 8.734 0.316 18701 5877 1 7 . 1 1 128 128 GLN N N 128 125.953 125.953 123.525 2.428 18701 5878 1 7 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.008 0.502 18701 5879 1 7 . 1 1 128 128 GLN C C 128 174.736 174.736 173.727 1.009 18701 5880 1 7 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.445 -0.913 18701 5881 1 7 . 1 1 128 128 GLN CB C 128 31.973 31.973 32.783 -0.810 18701 5882 1 7 . 1 1 128 128 GLN H H 128 7.618 7.618 7.648 -0.030 18701 5883 1 7 . 1 1 129 129 VAL N N 129 123.703 123.703 125.049 -1.346 18701 5884 1 7 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.372 -0.297 18701 5885 1 7 . 1 1 129 129 VAL C C 129 174.736 174.736 174.061 0.675 18701 5886 1 7 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.762 0.677 18701 5887 1 7 . 1 1 129 129 VAL CB C 129 34.984 34.984 34.958 0.026 18701 5888 1 7 . 1 1 129 129 VAL H H 129 8.948 8.948 9.275 -0.327 18701 5889 1 7 . 1 1 130 130 GLN N N 130 129.187 129.187 125.548 3.639 18701 5890 1 7 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.936 -0.205 18701 5891 1 7 . 1 1 130 130 GLN C C 130 173.780 173.780 174.585 -0.805 18701 5892 1 7 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.338 0.671 18701 5893 1 7 . 1 1 130 130 GLN CB C 130 28.391 28.391 30.523 -2.132 18701 5894 1 7 . 1 1 130 130 GLN H H 130 8.988 8.988 8.509 0.479 18701 5895 1 7 . 1 1 131 131 ALA N N 131 127.359 127.359 126.173 1.186 18701 5896 1 7 . 1 1 131 131 ALA HA H 131 4.816 4.816 4.854 -0.038 18701 5897 1 7 . 1 1 131 131 ALA C C 131 174.909 174.909 175.889 -0.980 18701 5898 1 7 . 1 1 131 131 ALA CA C 131 50.765 50.765 51.018 -0.253 18701 5899 1 7 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.876 0.875 18701 5900 1 7 . 1 1 131 131 ALA H H 131 8.663 8.663 9.040 -0.377 18701 5901 1 7 . 1 1 132 132 SER N N 132 116.281 116.281 116.779 -0.498 18701 5902 1 7 . 1 1 132 132 SER HA H 132 4.085 4.085 4.963 -0.878 18701 5903 1 7 . 1 1 132 132 SER C C 132 172.087 172.087 174.938 -2.851 18701 5904 1 7 . 1 1 132 132 SER CA C 132 57.667 57.667 59.646 -1.979 18701 5905 1 7 . 1 1 132 132 SER CB C 132 65.916 65.916 65.834 0.082 18701 5906 1 7 . 1 1 132 132 SER H H 132 9.369 9.369 9.318 0.051 18701 5907 1 7 . 1 1 133 133 GLU N N 133 119.487 119.487 118.461 1.026 18701 5908 1 7 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.644 0.183 18701 5909 1 7 . 1 1 133 133 GLU C C 133 177.666 177.666 176.953 0.713 18701 5910 1 7 . 1 1 133 133 GLU CA C 133 54.998 54.998 54.648 0.350 18701 5911 1 7 . 1 1 133 133 GLU CB C 133 33.112 33.112 31.127 1.985 18701 5912 1 7 . 1 1 133 133 GLU H H 133 7.739 7.739 8.654 -0.915 18701 5913 1 7 . 1 1 134 134 MET N N 134 122.237 122.237 117.345 4.892 18701 5914 1 7 . 1 1 134 134 MET HA H 134 4.529 4.529 4.145 0.384 18701 5915 1 7 . 1 1 134 134 MET C C 134 180.856 180.856 177.789 3.067 18701 5916 1 7 . 1 1 134 134 MET CA C 134 56.593 56.593 58.838 -2.245 18701 5917 1 7 . 1 1 134 134 MET CB C 134 29.042 29.042 32.690 -3.647 18701 5918 1 7 . 1 1 134 134 MET H H 134 9.143 9.143 8.581 0.562 18701 5919 1 7 . 1 1 135 135 SER N N 135 116.214 116.214 114.767 1.447 18701 5920 1 7 . 1 1 135 135 SER HA H 135 4.205 4.205 4.126 0.079 18701 5921 1 7 . 1 1 135 135 SER C C 135 176.993 176.993 175.546 1.447 18701 5922 1 7 . 1 1 135 135 SER CA C 135 61.216 61.216 61.841 -0.625 18701 5923 1 7 . 1 1 135 135 SER CB C 135 62.253 62.253 62.828 -0.575 18701 5924 1 7 . 1 1 135 135 SER H H 135 8.659 8.659 8.067 0.592 18701 5925 1 7 . 1 1 136 136 ASP N N 136 122.296 122.296 121.282 1.014 18701 5926 1 7 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.637 -0.084 18701 5927 1 7 . 1 1 136 136 ASP C C 136 175.647 175.647 177.587 -1.940 18701 5928 1 7 . 1 1 136 136 ASP CA C 136 56.881 56.881 56.264 0.617 18701 5929 1 7 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.142 0.517 18701 5930 1 7 . 1 1 136 136 ASP H H 136 7.861 7.861 7.636 0.225 18701 5931 1 7 . 1 1 137 137 LEU N N 137 113.859 113.859 115.424 -1.565 18701 5932 1 7 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.568 -0.051 18701 5933 1 7 . 1 1 137 137 LEU C C 137 176.038 176.038 177.169 -1.131 18701 5934 1 7 . 1 1 137 137 LEU CA C 137 53.218 53.218 55.031 -1.813 18701 5935 1 7 . 1 1 137 137 LEU CB C 137 41.822 41.822 42.025 -0.203 18701 5936 1 7 . 1 1 137 137 LEU H H 137 7.617 7.617 7.270 0.347 18701 5937 1 7 . 1 1 138 138 ASP N N 138 119.906 119.906 121.509 -1.603 18701 5938 1 7 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.498 -0.173 18701 5939 1 7 . 1 1 138 138 ASP C C 138 175.842 175.842 177.227 -1.385 18701 5940 1 7 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.514 1.470 18701 5941 1 7 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.739 0.548 18701 5942 1 7 . 1 1 138 138 ASP H H 138 7.119 7.119 7.553 -0.434 18701 5943 1 7 . 1 1 139 139 GLU N N 139 128.062 128.062 126.177 1.885 18701 5944 1 7 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.913 -0.604 18701 5945 1 7 . 1 1 139 139 GLU C C 139 177.275 177.275 177.404 -0.129 18701 5946 1 7 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.748 1.551 18701 5947 1 7 . 1 1 139 139 GLU CB C 139 30.508 30.508 28.948 1.560 18701 5948 1 7 . 1 1 139 139 GLU H H 139 8.943 8.943 8.848 0.095 18701 5949 1 7 . 1 1 140 140 LYS N N 140 115.993 115.993 117.153 -1.160 18701 5950 1 7 . 1 1 140 140 LYS HA H 140 3.894 3.894 3.995 -0.101 18701 5951 1 7 . 1 1 140 140 LYS C C 140 179.771 179.771 178.188 1.583 18701 5952 1 7 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.515 1.040 18701 5953 1 7 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.809 0.164 18701 5954 1 7 . 1 1 140 140 LYS H H 140 8.243 8.243 7.781 0.462 18701 5955 1 7 . 1 1 141 141 SER N N 141 116.877 116.877 114.771 2.106 18701 5956 1 7 . 1 1 141 141 SER HA H 141 4.184 4.184 4.590 -0.406 18701 5957 1 7 . 1 1 141 141 SER C C 141 175.973 175.973 176.012 -0.039 18701 5958 1 7 . 1 1 141 141 SER CA C 141 61.737 61.737 60.552 1.185 18701 5959 1 7 . 1 1 141 141 SER CB C 141 62.986 62.986 64.862 -1.876 18701 5960 1 7 . 1 1 141 141 SER H H 141 7.856 7.856 8.021 -0.165 18701 5961 1 7 . 1 1 142 142 VAL N N 142 121.874 121.874 122.832 -0.958 18701 5962 1 7 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.653 0.123 18701 5963 1 7 . 1 1 142 142 VAL C C 142 178.165 178.165 177.049 1.116 18701 5964 1 7 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.328 -0.598 18701 5965 1 7 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.395 0.985 18701 5966 1 7 . 1 1 142 142 VAL H H 142 8.476 8.476 7.653 0.823 18701 5967 1 7 . 1 1 143 143 LYS N N 143 116.141 116.141 120.006 -3.865 18701 5968 1 7 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.968 -0.349 18701 5969 1 7 . 1 1 143 143 LYS C C 143 178.512 178.512 178.694 -0.182 18701 5970 1 7 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.647 1.629 18701 5971 1 7 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.895 0.241 18701 5972 1 7 . 1 1 143 143 LYS H H 143 8.157 8.157 7.693 0.464 18701 5973 1 7 . 1 1 144 144 SER N N 144 113.862 113.862 114.800 -0.938 18701 5974 1 7 . 1 1 144 144 SER HA H 144 4.158 4.158 4.242 -0.084 18701 5975 1 7 . 1 1 144 144 SER C C 144 177.340 177.340 176.392 0.948 18701 5976 1 7 . 1 1 144 144 SER CA C 144 61.769 61.769 61.309 0.460 18701 5977 1 7 . 1 1 144 144 SER CB C 144 62.986 62.986 63.001 -0.015 18701 5978 1 7 . 1 1 144 144 SER H H 144 7.754 7.754 7.660 0.094 18701 5979 1 7 . 1 1 145 145 ASP N N 145 123.316 123.316 123.414 -0.098 18701 5980 1 7 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.406 0.002 18701 5981 1 7 . 1 1 145 145 ASP C C 145 178.708 178.708 178.252 0.456 18701 5982 1 7 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.247 0.122 18701 5983 1 7 . 1 1 145 145 ASP CB C 145 40.194 40.194 40.915 -0.721 18701 5984 1 7 . 1 1 145 145 ASP H H 145 8.172 8.172 8.259 -0.087 18701 5985 1 7 . 1 1 146 146 LEU N N 146 121.453 121.453 116.887 4.566 18701 5986 1 7 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.347 -1.289 18701 5987 1 7 . 1 1 146 146 LEU C C 146 178.447 178.447 178.254 0.193 18701 5988 1 7 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.517 -0.148 18701 5989 1 7 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.604 1.032 18701 5990 1 7 . 1 1 146 146 LEU H H 146 8.186 8.186 8.141 0.045 18701 5991 1 7 . 1 1 147 147 MET N N 147 115.468 115.468 117.988 -2.520 18701 5992 1 7 . 1 1 147 147 MET HA H 147 4.314 4.314 4.066 0.248 18701 5993 1 7 . 1 1 147 147 MET C C 147 177.839 177.839 177.952 -0.113 18701 5994 1 7 . 1 1 147 147 MET CA C 147 56.311 56.311 57.096 -0.785 18701 5995 1 7 . 1 1 147 147 MET CB C 147 31.891 31.891 32.327 -0.436 18701 5996 1 7 . 1 1 147 147 MET H H 147 7.622 7.622 7.438 0.184 18701 5997 1 7 . 1 1 148 148 SER N N 148 115.203 115.203 115.841 -0.638 18701 5998 1 7 . 1 1 148 148 SER HA H 148 4.338 4.338 4.122 0.216 18701 5999 1 7 . 1 1 148 148 SER C C 148 174.953 174.953 176.473 -1.520 18701 6000 1 7 . 1 1 148 148 SER CA C 148 60.137 60.137 61.943 -1.806 18701 6001 1 7 . 1 1 148 148 SER CB C 148 63.637 63.637 63.097 0.540 18701 6002 1 7 . 1 1 148 148 SER H H 148 7.836 7.836 8.276 -0.440 18701 6003 1 7 . 1 1 149 149 ASN N N 149 119.635 119.635 117.657 1.978 18701 6004 1 7 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.646 0.037 18701 6005 1 7 . 1 1 149 149 ASN C C 149 174.953 174.953 176.695 -1.742 18701 6006 1 7 . 1 1 149 149 ASN CA C 149 54.439 54.439 53.671 0.768 18701 6007 1 7 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.693 2.013 18701 6008 1 7 . 1 1 149 149 ASN H H 149 8.040 8.040 8.170 -0.130 18701 6009 1 7 . 1 1 150 150 GLN N N 150 118.805 118.805 118.270 0.535 18701 6010 1 7 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.972 0.341 18701 6011 1 7 . 1 1 150 150 GLN C C 150 175.365 175.365 175.761 -0.396 18701 6012 1 7 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.693 -2.870 18701 6013 1 7 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.468 -0.180 18701 6014 1 7 . 1 1 150 150 GLN H H 150 8.041 8.041 7.284 0.757 18701 6015 1 7 . 1 1 151 151 ARG N N 151 122.082 122.082 113.666 8.416 18701 6016 1 7 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.526 -0.164 18701 6017 1 7 . 1 1 151 151 ARG C C 151 175.213 175.213 174.071 1.142 18701 6018 1 7 . 1 1 151 151 ARG CA C 151 56.332 56.332 56.043 0.289 18701 6019 1 7 . 1 1 151 151 ARG CB C 151 30.426 30.426 29.651 0.775 18701 6020 1 7 . 1 1 151 151 ARG H H 151 8.221 8.221 7.449 0.772 18701 6021 1 8 . 1 1 2 2 ALA N N 2 126.155 126.155 124.193 1.962 18701 6022 1 8 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.329 0.013 18701 6023 1 8 . 1 1 2 2 ALA C C 2 177.458 177.458 177.027 0.431 18701 6024 1 8 . 1 1 2 2 ALA CA C 2 52.816 52.816 51.857 0.959 18701 6025 1 8 . 1 1 2 2 ALA CB C 2 19.437 19.437 17.204 2.232 18701 6026 1 8 . 1 1 2 2 ALA H H 2 8.404 8.404 8.020 0.384 18701 6027 1 8 . 1 1 3 3 SER N N 3 115.406 115.406 114.549 0.857 18701 6028 1 8 . 1 1 3 3 SER HA H 3 4.409 4.409 4.126 0.283 18701 6029 1 8 . 1 1 3 3 SER C C 3 174.739 174.739 175.197 -0.458 18701 6030 1 8 . 1 1 3 3 SER CA C 3 58.346 58.346 59.786 -1.440 18701 6031 1 8 . 1 1 3 3 SER CB C 3 64.207 64.207 62.982 1.225 18701 6032 1 8 . 1 1 3 3 SER H H 3 8.283 8.283 7.655 0.628 18701 6033 1 8 . 1 1 4 4 GLY N N 4 110.853 110.853 107.221 3.632 18701 6034 1 8 . 1 1 4 4 GLY C C 4 173.502 173.502 173.512 -0.010 18701 6035 1 8 . 1 1 4 4 GLY CA C 4 45.078 45.078 45.083 -0.005 18701 6036 1 8 . 1 1 4 4 GLY H H 4 8.358 8.358 8.348 0.010 18701 6037 1 8 . 1 1 5 5 VAL N N 5 119.781 119.781 119.332 0.449 18701 6038 1 8 . 1 1 5 5 VAL HA H 5 3.883 3.883 4.461 -0.578 18701 6039 1 8 . 1 1 5 5 VAL C C 5 175.390 175.390 173.984 1.406 18701 6040 1 8 . 1 1 5 5 VAL CA C 5 62.518 62.518 61.199 1.319 18701 6041 1 8 . 1 1 5 5 VAL CB C 5 32.705 32.705 34.877 -2.172 18701 6042 1 8 . 1 1 5 5 VAL H H 5 7.836 7.836 7.341 0.495 18701 6043 1 8 . 1 1 6 6 LYS N N 6 124.873 124.873 123.592 1.281 18701 6044 1 8 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.681 -0.212 18701 6045 1 8 . 1 1 6 6 LYS C C 6 175.278 175.278 175.463 -0.185 18701 6046 1 8 . 1 1 6 6 LYS CA C 6 54.927 54.927 53.898 1.029 18701 6047 1 8 . 1 1 6 6 LYS CB C 6 34.577 34.577 35.880 -1.303 18701 6048 1 8 . 1 1 6 6 LYS H H 6 7.988 7.988 8.634 -0.646 18701 6049 1 8 . 1 1 7 7 VAL N N 7 122.213 122.213 117.516 4.697 18701 6050 1 8 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.180 -0.297 18701 6051 1 8 . 1 1 7 7 VAL C C 7 175.756 175.756 175.113 0.643 18701 6052 1 8 . 1 1 7 7 VAL CA C 7 62.334 62.334 60.810 1.524 18701 6053 1 8 . 1 1 7 7 VAL CB C 7 32.054 32.054 32.631 -0.577 18701 6054 1 8 . 1 1 7 7 VAL H H 7 8.757 8.757 8.289 0.468 18701 6055 1 8 . 1 1 8 8 ASP N N 8 131.718 131.718 126.541 5.177 18701 6056 1 8 . 1 1 8 8 ASP HA H 8 4.673 4.673 5.004 -0.331 18701 6057 1 8 . 1 1 8 8 ASP C C 8 176.237 176.237 175.753 0.484 18701 6058 1 8 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.511 3.928 18701 6059 1 8 . 1 1 8 8 ASP CB C 8 44.590 44.590 43.316 1.274 18701 6060 1 8 . 1 1 8 8 ASP H H 8 8.820 8.820 8.377 0.443 18701 6061 1 8 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.337 0.047 18701 6062 1 8 . 1 1 9 9 PRO C C 9 177.535 177.535 178.388 -0.853 18701 6063 1 8 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.550 0.959 18701 6064 1 8 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.180 -0.126 18701 6065 1 8 . 1 1 10 10 SER N N 10 113.842 113.842 116.887 -3.045 18701 6066 1 8 . 1 1 10 10 SER HA H 10 4.265 4.265 4.241 0.024 18701 6067 1 8 . 1 1 10 10 SER C C 10 177.666 177.666 176.743 0.923 18701 6068 1 8 . 1 1 10 10 SER CA C 10 61.541 61.541 62.534 -0.993 18701 6069 1 8 . 1 1 10 10 SER CB C 10 62.660 62.660 62.770 -0.110 18701 6070 1 8 . 1 1 10 10 SER H H 10 8.811 8.811 8.743 0.068 18701 6071 1 8 . 1 1 11 11 CYS N N 11 121.231 121.231 120.019 1.212 18701 6072 1 8 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.315 -0.169 18701 6073 1 8 . 1 1 11 11 CYS C C 11 176.211 176.211 176.412 -0.201 18701 6074 1 8 . 1 1 11 11 CYS CA C 11 62.986 62.986 63.193 -0.207 18701 6075 1 8 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.770 -0.274 18701 6076 1 8 . 1 1 11 11 CYS H H 11 8.459 8.459 7.825 0.634 18701 6077 1 8 . 1 1 12 12 LYS N N 12 119.862 119.862 120.636 -0.774 18701 6078 1 8 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.080 -0.134 18701 6079 1 8 . 1 1 12 12 LYS C C 12 177.687 177.687 178.249 -0.562 18701 6080 1 8 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.801 0.440 18701 6081 1 8 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.962 0.499 18701 6082 1 8 . 1 1 12 12 LYS H H 12 7.615 7.615 7.646 -0.031 18701 6083 1 8 . 1 1 13 13 ASN N N 13 116.871 116.871 118.186 -1.315 18701 6084 1 8 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.618 -0.150 18701 6085 1 8 . 1 1 13 13 ASN C C 13 177.297 177.297 177.421 -0.124 18701 6086 1 8 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.581 0.056 18701 6087 1 8 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.554 -0.069 18701 6088 1 8 . 1 1 13 13 ASN H H 13 7.489 7.489 8.267 -0.778 18701 6089 1 8 . 1 1 14 14 ALA N N 14 119.990 119.990 121.901 -1.911 18701 6090 1 8 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.172 0.069 18701 6091 1 8 . 1 1 14 14 ALA C C 14 179.077 179.077 178.981 0.096 18701 6092 1 8 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.609 0.969 18701 6093 1 8 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.730 -0.269 18701 6094 1 8 . 1 1 14 14 ALA H H 14 8.054 8.054 7.465 0.589 18701 6095 1 8 . 1 1 15 15 TYR N N 15 118.280 118.280 119.862 -1.582 18701 6096 1 8 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.192 -0.141 18701 6097 1 8 . 1 1 15 15 TYR C C 15 177.123 177.123 177.186 -0.063 18701 6098 1 8 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.725 1.016 18701 6099 1 8 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.462 0.999 18701 6100 1 8 . 1 1 15 15 TYR H H 15 8.380 8.380 8.310 0.070 18701 6101 1 8 . 1 1 16 16 ASP N N 16 121.008 121.008 118.562 2.446 18701 6102 1 8 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.245 0.057 18701 6103 1 8 . 1 1 16 16 ASP C C 16 179.185 179.185 178.246 0.939 18701 6104 1 8 . 1 1 16 16 ASP CA C 16 58.102 58.102 57.639 0.464 18701 6105 1 8 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.368 -0.011 18701 6106 1 8 . 1 1 16 16 ASP H H 16 8.722 8.722 8.225 0.497 18701 6107 1 8 . 1 1 17 17 LEU N N 17 119.368 119.368 119.522 -0.154 18701 6108 1 8 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.166 -0.299 18701 6109 1 8 . 1 1 17 17 LEU C C 17 178.708 178.708 179.102 -0.394 18701 6110 1 8 . 1 1 17 17 LEU CA C 17 58.102 58.102 56.856 1.246 18701 6111 1 8 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.289 0.777 18701 6112 1 8 . 1 1 17 17 LEU H H 17 7.477 7.477 7.314 0.163 18701 6113 1 8 . 1 1 18 18 LEU N N 18 121.503 121.503 120.884 0.619 18701 6114 1 8 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.038 0.060 18701 6115 1 8 . 1 1 18 18 LEU C C 18 176.580 176.580 178.224 -1.644 18701 6116 1 8 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.421 2.481 18701 6117 1 8 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.754 1.871 18701 6118 1 8 . 1 1 18 18 LEU H H 18 7.762 7.762 7.804 -0.042 18701 6119 1 8 . 1 1 19 19 HIS N N 19 116.605 116.605 116.012 0.593 18701 6120 1 8 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.015 -0.274 18701 6121 1 8 . 1 1 19 19 HIS C C 19 174.627 174.627 175.618 -0.991 18701 6122 1 8 . 1 1 19 19 HIS CA C 19 58.904 58.904 58.308 0.596 18701 6123 1 8 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.010 0.009 18701 6124 1 8 . 1 1 19 19 HIS H H 19 8.983 8.983 8.167 0.816 18701 6125 1 8 . 1 1 20 20 ASN N N 20 112.497 112.497 113.452 -0.955 18701 6126 1 8 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.597 -0.032 18701 6127 1 8 . 1 1 20 20 ASN C C 20 176.624 176.624 175.619 1.005 18701 6128 1 8 . 1 1 20 20 ASN CA C 20 54.195 54.195 54.684 -0.489 18701 6129 1 8 . 1 1 20 20 ASN CB C 20 38.580 38.580 40.031 -1.451 18701 6130 1 8 . 1 1 20 20 ASN H H 20 8.308 8.308 7.504 0.804 18701 6131 1 8 . 1 1 21 21 LYS N N 21 113.544 113.544 119.614 -6.070 18701 6132 1 8 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.115 0.293 18701 6133 1 8 . 1 1 21 21 LYS C C 21 175.669 175.669 177.542 -1.873 18701 6134 1 8 . 1 1 21 21 LYS CA C 21 55.291 55.291 57.111 -1.820 18701 6135 1 8 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.683 0.592 18701 6136 1 8 . 1 1 21 21 LYS H H 21 6.621 6.621 8.293 -1.672 18701 6137 1 8 . 1 1 22 22 HIS N N 22 115.701 115.701 115.250 0.451 18701 6138 1 8 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.267 0.452 18701 6139 1 8 . 1 1 22 22 HIS C C 22 174.670 174.670 174.987 -0.317 18701 6140 1 8 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.278 0.054 18701 6141 1 8 . 1 1 22 22 HIS CB C 22 25.721 25.721 27.339 -1.618 18701 6142 1 8 . 1 1 22 22 HIS H H 22 6.838 6.838 8.427 -1.589 18701 6143 1 8 . 1 1 23 23 GLN N N 23 114.330 114.330 118.012 -3.682 18701 6144 1 8 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.844 0.171 18701 6145 1 8 . 1 1 23 23 GLN C C 23 174.041 174.041 174.533 -0.492 18701 6146 1 8 . 1 1 23 23 GLN CA C 23 56.311 56.311 58.526 -2.216 18701 6147 1 8 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.381 1.304 18701 6148 1 8 . 1 1 23 23 GLN H H 23 8.028 8.028 8.203 -0.175 18701 6149 1 8 . 1 1 24 24 HIS N N 24 111.043 111.043 110.498 0.545 18701 6150 1 8 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.856 -0.710 18701 6151 1 8 . 1 1 24 24 HIS C C 24 175.083 175.083 173.493 1.590 18701 6152 1 8 . 1 1 24 24 HIS CA C 24 53.305 53.305 55.114 -1.809 18701 6153 1 8 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.481 0.364 18701 6154 1 8 . 1 1 24 24 HIS H H 24 6.670 6.670 7.765 -1.095 18701 6155 1 8 . 1 1 25 25 SER N N 25 115.307 115.307 116.113 -0.806 18701 6156 1 8 . 1 1 25 25 SER HA H 25 4.600 4.600 4.838 -0.238 18701 6157 1 8 . 1 1 25 25 SER C C 25 173.368 173.368 174.409 -1.041 18701 6158 1 8 . 1 1 25 25 SER CA C 25 59.648 59.648 58.427 1.221 18701 6159 1 8 . 1 1 25 25 SER CB C 25 64.532 64.532 65.127 -0.595 18701 6160 1 8 . 1 1 25 25 SER H H 25 7.591 7.591 8.311 -0.720 18701 6161 1 8 . 1 1 26 26 TYR N N 26 111.318 111.318 122.064 -10.746 18701 6162 1 8 . 1 1 26 26 TYR HA H 26 5.354 5.354 4.729 0.625 18701 6163 1 8 . 1 1 26 26 TYR C C 26 173.411 173.411 174.845 -1.434 18701 6164 1 8 . 1 1 26 26 TYR CA C 26 56.392 56.392 59.450 -3.058 18701 6165 1 8 . 1 1 26 26 TYR CB C 26 41.008 41.008 38.284 2.724 18701 6166 1 8 . 1 1 26 26 TYR H H 26 6.635 6.635 7.810 -1.175 18701 6167 1 8 . 1 1 27 27 ILE N N 27 119.710 119.710 125.172 -5.462 18701 6168 1 8 . 1 1 27 27 ILE HA H 27 4.529 4.529 5.096 -0.567 18701 6169 1 8 . 1 1 27 27 ILE C C 27 174.323 174.323 173.779 0.544 18701 6170 1 8 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.616 1.090 18701 6171 1 8 . 1 1 27 27 ILE CB C 27 44.020 44.020 41.536 2.484 18701 6172 1 8 . 1 1 27 27 ILE H H 27 9.191 9.191 9.214 -0.023 18701 6173 1 8 . 1 1 28 28 ILE N N 28 125.249 125.249 129.481 -4.232 18701 6174 1 8 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.350 0.454 18701 6175 1 8 . 1 1 28 28 ILE C C 28 174.757 174.757 174.338 0.419 18701 6176 1 8 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.992 -0.041 18701 6177 1 8 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.013 1.100 18701 6178 1 8 . 1 1 28 28 ILE H H 28 9.049 9.049 9.170 -0.121 18701 6179 1 8 . 1 1 29 29 PHE N N 29 126.153 126.153 127.036 -0.883 18701 6180 1 8 . 1 1 29 29 PHE HA H 29 5.725 5.725 4.989 0.736 18701 6181 1 8 . 1 1 29 29 PHE C C 29 174.193 174.193 174.986 -0.793 18701 6182 1 8 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.997 -1.174 18701 6183 1 8 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.211 0.669 18701 6184 1 8 . 1 1 29 29 PHE H H 29 9.514 9.514 8.460 1.054 18701 6185 1 8 . 1 1 30 30 LYS N N 30 116.531 116.531 117.779 -1.248 18701 6186 1 8 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.615 0.536 18701 6187 1 8 . 1 1 30 30 LYS C C 30 173.411 173.411 174.366 -0.955 18701 6188 1 8 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.226 0.050 18701 6189 1 8 . 1 1 30 30 LYS CB C 30 37.182 37.182 35.683 1.499 18701 6190 1 8 . 1 1 30 30 LYS H H 30 8.950 8.950 9.230 -0.280 18701 6191 1 8 . 1 1 31 31 ILE N N 31 120.757 120.757 122.442 -1.685 18701 6192 1 8 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.887 -0.203 18701 6193 1 8 . 1 1 31 31 ILE C C 31 174.714 174.714 175.038 -0.324 18701 6194 1 8 . 1 1 31 31 ILE CA C 31 61.846 61.846 60.638 1.208 18701 6195 1 8 . 1 1 31 31 ILE CB C 31 37.508 37.508 40.319 -2.811 18701 6196 1 8 . 1 1 31 31 ILE H H 31 8.256 8.256 8.522 -0.266 18701 6197 1 8 . 1 1 32 32 ASP N N 32 130.811 130.811 127.209 3.602 18701 6198 1 8 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.918 -0.473 18701 6199 1 8 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.253 0.410 18701 6200 1 8 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.045 -5.556 18701 6201 1 8 . 1 1 32 32 ASP H H 32 9.441 9.441 8.444 0.997 18701 6202 1 8 . 1 1 33 33 LYS HA H 33 4.314 4.314 3.926 0.388 18701 6203 1 8 . 1 1 33 33 LYS C C 33 174.759 174.759 175.592 -0.833 18701 6204 1 8 . 1 1 33 33 LYS CA C 33 56.230 56.230 56.900 -0.670 18701 6205 1 8 . 1 1 33 33 LYS CB C 33 29.205 29.205 31.967 -2.762 18701 6206 1 8 . 1 1 34 34 ASN N N 34 117.759 117.759 119.492 -1.733 18701 6207 1 8 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.426 0.258 18701 6208 1 8 . 1 1 34 34 ASN C C 34 174.736 174.736 176.335 -1.599 18701 6209 1 8 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.210 -1.059 18701 6210 1 8 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.477 1.147 18701 6211 1 8 . 1 1 34 34 ASN H H 34 8.573 8.573 8.818 -0.245 18701 6212 1 8 . 1 1 35 35 ASP N N 35 115.713 115.713 119.195 -3.482 18701 6213 1 8 . 1 1 35 35 ASP C C 35 175.586 175.586 175.622 -0.036 18701 6214 1 8 . 1 1 35 35 ASP CA C 35 54.043 54.043 53.265 0.778 18701 6215 1 8 . 1 1 35 35 ASP CB C 35 42.091 42.091 39.409 2.682 18701 6216 1 8 . 1 1 35 35 ASP H H 35 8.134 8.134 8.287 -0.153 18701 6217 1 8 . 1 1 36 36 THR HA H 36 4.565 4.565 4.376 0.189 18701 6218 1 8 . 1 1 36 36 THR C C 36 175.517 175.517 173.676 1.841 18701 6219 1 8 . 1 1 36 36 THR CA C 36 62.579 62.579 64.461 -1.882 18701 6220 1 8 . 1 1 36 36 THR CB C 36 71.858 71.858 68.617 3.241 18701 6221 1 8 . 1 1 37 37 ALA N N 37 124.761 124.761 129.623 -4.862 18701 6222 1 8 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.636 -0.138 18701 6223 1 8 . 1 1 37 37 ALA C C 37 175.300 175.300 175.401 -0.101 18701 6224 1 8 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.297 1.184 18701 6225 1 8 . 1 1 37 37 ALA CB C 37 22.612 22.612 23.189 -0.577 18701 6226 1 8 . 1 1 37 37 ALA H H 37 8.054 8.054 8.181 -0.127 18701 6227 1 8 . 1 1 38 38 ILE N N 38 121.171 121.171 120.663 0.508 18701 6228 1 8 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.959 -0.292 18701 6229 1 8 . 1 1 38 38 ILE C C 38 174.301 174.301 175.383 -1.082 18701 6230 1 8 . 1 1 38 38 ILE CA C 38 61.439 61.439 61.334 0.105 18701 6231 1 8 . 1 1 38 38 ILE CB C 38 39.217 39.217 39.000 0.217 18701 6232 1 8 . 1 1 38 38 ILE H H 38 8.623 8.623 8.066 0.557 18701 6233 1 8 . 1 1 39 39 VAL N N 39 118.121 118.121 127.454 -9.333 18701 6234 1 8 . 1 1 39 39 VAL HA H 39 4.673 4.673 5.172 -0.499 18701 6235 1 8 . 1 1 39 39 VAL C C 39 174.974 174.974 174.747 0.227 18701 6236 1 8 . 1 1 39 39 VAL CA C 39 59.078 59.078 58.605 0.473 18701 6237 1 8 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.976 -1.503 18701 6238 1 8 . 1 1 39 39 VAL H H 39 9.083 9.083 9.195 -0.112 18701 6239 1 8 . 1 1 40 40 VAL N N 40 121.315 121.315 124.764 -3.449 18701 6240 1 8 . 1 1 40 40 VAL HA H 40 3.788 3.788 3.900 -0.112 18701 6241 1 8 . 1 1 40 40 VAL C C 40 175.300 175.300 175.396 -0.096 18701 6242 1 8 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.873 -0.073 18701 6243 1 8 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.283 1.341 18701 6244 1 8 . 1 1 40 40 VAL H H 40 8.345 8.345 8.736 -0.391 18701 6245 1 8 . 1 1 41 41 GLU N N 41 130.920 130.920 127.478 3.442 18701 6246 1 8 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.473 -0.064 18701 6247 1 8 . 1 1 41 41 GLU C C 41 175.647 175.647 176.207 -0.560 18701 6248 1 8 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.019 0.187 18701 6249 1 8 . 1 1 41 41 GLU CB C 41 33.517 33.517 32.035 1.482 18701 6250 1 8 . 1 1 41 41 GLU H H 41 9.388 9.388 9.056 0.332 18701 6251 1 8 . 1 1 42 42 LYS N N 42 115.836 115.836 120.442 -4.606 18701 6252 1 8 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.553 0.101 18701 6253 1 8 . 1 1 42 42 LYS C C 42 173.715 173.715 173.862 -0.147 18701 6254 1 8 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.129 -0.609 18701 6255 1 8 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.301 1.556 18701 6256 1 8 . 1 1 42 42 LYS H H 42 7.523 7.523 7.906 -0.383 18701 6257 1 8 . 1 1 43 43 VAL N N 43 118.472 118.472 126.435 -7.963 18701 6258 1 8 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.979 -0.534 18701 6259 1 8 . 1 1 43 43 VAL C C 43 174.931 174.931 175.028 -0.097 18701 6260 1 8 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.656 -0.008 18701 6261 1 8 . 1 1 43 43 VAL CB C 43 34.170 34.170 34.303 -0.133 18701 6262 1 8 . 1 1 43 43 VAL H H 43 8.315 8.315 8.494 -0.179 18701 6263 1 8 . 1 1 44 44 GLY N N 44 112.479 112.479 115.866 -3.387 18701 6264 1 8 . 1 1 44 44 GLY C C 44 174.149 174.149 173.599 0.550 18701 6265 1 8 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.488 -0.104 18701 6266 1 8 . 1 1 44 44 GLY H H 44 7.953 7.953 9.188 -1.235 18701 6267 1 8 . 1 1 45 45 GLU N N 45 122.999 122.999 118.391 4.608 18701 6268 1 8 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.567 -0.148 18701 6269 1 8 . 1 1 45 45 GLU C C 45 175.365 175.365 178.424 -3.059 18701 6270 1 8 . 1 1 45 45 GLU CA C 45 56.392 56.392 56.628 -0.236 18701 6271 1 8 . 1 1 45 45 GLU CB C 45 30.670 30.670 31.018 -0.348 18701 6272 1 8 . 1 1 45 45 GLU H H 45 8.949 8.949 8.422 0.527 18701 6273 1 8 . 1 1 48 48 ALA N N 48 124.687 124.687 128.046 -3.359 18701 6274 1 8 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.735 -0.314 18701 6275 1 8 . 1 1 48 48 ALA C C 48 176.210 176.210 174.750 1.460 18701 6276 1 8 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.809 1.699 18701 6277 1 8 . 1 1 48 48 ALA CB C 48 17.647 17.647 20.032 -2.385 18701 6278 1 8 . 1 1 48 48 ALA H H 48 7.627 7.627 7.910 -0.283 18701 6279 1 8 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.800 -0.151 18701 6280 1 8 . 1 1 49 49 PRO C C 49 177.535 177.535 177.146 0.389 18701 6281 1 8 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.230 0.267 18701 6282 1 8 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.637 -0.501 18701 6283 1 8 . 1 1 50 50 TYR N N 50 127.091 127.091 117.742 9.349 18701 6284 1 8 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.370 -0.309 18701 6285 1 8 . 1 1 50 50 TYR C C 50 177.427 177.427 176.849 0.578 18701 6286 1 8 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.757 1.903 18701 6287 1 8 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.049 1.191 18701 6288 1 8 . 1 1 50 50 TYR H H 50 9.065 9.065 8.851 0.214 18701 6289 1 8 . 1 1 51 51 ALA N N 51 117.547 117.547 123.554 -6.007 18701 6290 1 8 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.741 0.334 18701 6291 1 8 . 1 1 51 51 ALA C C 51 179.836 179.836 179.513 0.323 18701 6292 1 8 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.779 0.230 18701 6293 1 8 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.858 1.171 18701 6294 1 8 . 1 1 51 51 ALA H H 51 8.910 8.910 7.534 1.376 18701 6295 1 8 . 1 1 52 52 GLU N N 52 117.688 117.688 119.206 -1.518 18701 6296 1 8 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.043 -0.017 18701 6297 1 8 . 1 1 52 52 GLU C C 52 177.970 177.970 178.389 -0.419 18701 6298 1 8 . 1 1 52 52 GLU CA C 52 59.241 59.241 59.070 0.171 18701 6299 1 8 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.429 0.346 18701 6300 1 8 . 1 1 52 52 GLU H H 52 7.708 7.708 7.648 0.060 18701 6301 1 8 . 1 1 53 53 PHE N N 53 120.303 120.303 119.286 1.017 18701 6302 1 8 . 1 1 53 53 PHE HA H 53 2.974 2.974 4.257 -1.283 18701 6303 1 8 . 1 1 53 53 PHE C C 53 175.582 175.582 177.374 -1.792 18701 6304 1 8 . 1 1 53 53 PHE CA C 53 59.892 59.892 61.138 -1.246 18701 6305 1 8 . 1 1 53 53 PHE CB C 53 36.694 36.694 39.419 -2.725 18701 6306 1 8 . 1 1 53 53 PHE H H 53 6.778 6.778 7.597 -0.819 18701 6307 1 8 . 1 1 54 54 VAL N N 54 117.631 117.631 118.085 -0.454 18701 6308 1 8 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.491 -1.140 18701 6309 1 8 . 1 1 54 54 VAL C C 54 177.101 177.101 177.529 -0.428 18701 6310 1 8 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.151 0.742 18701 6311 1 8 . 1 1 54 54 VAL CB C 54 31.484 31.484 31.834 -0.350 18701 6312 1 8 . 1 1 54 54 VAL H H 54 7.104 7.104 7.767 -0.663 18701 6313 1 8 . 1 1 55 55 GLU N N 55 118.253 118.253 121.006 -2.753 18701 6314 1 8 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.850 -0.110 18701 6315 1 8 . 1 1 55 55 GLU C C 55 178.859 178.859 178.931 -0.072 18701 6316 1 8 . 1 1 55 55 GLU CA C 55 58.916 58.916 60.401 -1.485 18701 6317 1 8 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.314 -0.028 18701 6318 1 8 . 1 1 55 55 GLU H H 55 7.592 7.592 8.555 -0.963 18701 6319 1 8 . 1 1 56 56 GLU N N 56 118.908 118.908 117.687 1.221 18701 6320 1 8 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.028 -0.181 18701 6321 1 8 . 1 1 56 56 GLU C C 56 179.272 179.272 178.876 0.396 18701 6322 1 8 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.908 -0.074 18701 6323 1 8 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.250 -0.615 18701 6324 1 8 . 1 1 56 56 GLU H H 56 8.002 8.002 8.081 -0.079 18701 6325 1 8 . 1 1 57 57 MET N N 57 117.937 117.937 119.687 -1.750 18701 6326 1 8 . 1 1 57 57 MET HA H 57 3.799 3.799 4.244 -0.445 18701 6327 1 8 . 1 1 57 57 MET C C 57 177.514 177.514 177.417 0.097 18701 6328 1 8 . 1 1 57 57 MET CA C 57 57.044 57.044 57.571 -0.527 18701 6329 1 8 . 1 1 57 57 MET CB C 57 30.263 30.263 32.240 -1.977 18701 6330 1 8 . 1 1 57 57 MET H H 57 7.838 7.838 7.142 0.696 18701 6331 1 8 . 1 1 58 58 LYS N N 58 119.343 119.343 120.312 -0.969 18701 6332 1 8 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.949 -0.330 18701 6333 1 8 . 1 1 58 58 LYS C C 58 178.339 178.339 178.862 -0.523 18701 6334 1 8 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.501 0.717 18701 6335 1 8 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.034 0.753 18701 6336 1 8 . 1 1 58 58 LYS H H 58 8.341 8.341 8.639 -0.298 18701 6337 1 8 . 1 1 59 59 LYS N N 59 114.611 114.611 116.648 -2.037 18701 6338 1 8 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.112 -0.218 18701 6339 1 8 . 1 1 59 59 LYS C C 59 178.404 178.404 177.716 0.688 18701 6340 1 8 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.508 0.408 18701 6341 1 8 . 1 1 59 59 LYS CB C 59 32.787 32.787 32.128 0.659 18701 6342 1 8 . 1 1 59 59 LYS H H 59 7.126 7.126 7.701 -0.575 18701 6343 1 8 . 1 1 60 60 LEU N N 60 117.334 117.334 120.212 -2.878 18701 6344 1 8 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.324 -0.190 18701 6345 1 8 . 1 1 60 60 LEU C C 60 179.619 179.619 178.465 1.154 18701 6346 1 8 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.440 0.278 18701 6347 1 8 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.690 0.434 18701 6348 1 8 . 1 1 60 60 LEU H H 60 7.343 7.343 7.387 -0.044 18701 6349 1 8 . 1 1 61 61 VAL N N 61 108.515 108.515 119.366 -10.851 18701 6350 1 8 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.748 0.696 18701 6351 1 8 . 1 1 61 61 VAL C C 61 177.753 177.753 178.001 -0.248 18701 6352 1 8 . 1 1 61 61 VAL CA C 61 61.113 61.113 66.237 -5.124 18701 6353 1 8 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.381 0.592 18701 6354 1 8 . 1 1 61 61 VAL H H 61 7.730 7.730 8.479 -0.749 18701 6355 1 8 . 1 1 62 62 GLU N N 62 123.907 123.907 118.635 5.272 18701 6356 1 8 . 1 1 62 62 GLU HA H 62 4.026 4.026 4.040 -0.014 18701 6357 1 8 . 1 1 62 62 GLU C C 62 176.602 176.602 177.230 -0.628 18701 6358 1 8 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.135 1.106 18701 6359 1 8 . 1 1 62 62 GLU CB C 62 29.205 29.205 28.689 0.516 18701 6360 1 8 . 1 1 62 62 GLU H H 62 7.583 7.583 7.840 -0.257 18701 6361 1 8 . 1 1 63 63 ASP N N 63 118.203 118.203 119.347 -1.144 18701 6362 1 8 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.510 -0.136 18701 6363 1 8 . 1 1 63 63 ASP C C 63 177.557 177.557 176.615 0.942 18701 6364 1 8 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.620 0.307 18701 6365 1 8 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.548 -1.517 18701 6366 1 8 . 1 1 63 63 ASP H H 63 8.584 8.584 7.658 0.926 18701 6367 1 8 . 1 1 64 64 GLY N N 64 107.534 107.534 108.299 -0.765 18701 6368 1 8 . 1 1 64 64 GLY C C 64 173.281 173.281 172.570 0.711 18701 6369 1 8 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.834 0.483 18701 6370 1 8 . 1 1 64 64 GLY H H 64 8.036 8.036 7.960 0.076 18701 6371 1 8 . 1 1 65 65 LYS N N 65 115.632 115.632 120.779 -5.147 18701 6372 1 8 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.364 -0.158 18701 6373 1 8 . 1 1 65 65 LYS C C 65 176.233 176.233 175.777 0.456 18701 6374 1 8 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.779 0.694 18701 6375 1 8 . 1 1 65 65 LYS CB C 65 34.051 34.051 32.268 1.783 18701 6376 1 8 . 1 1 65 65 LYS H H 65 8.197 8.197 8.401 -0.204 18701 6377 1 8 . 1 1 66 66 GLU N N 66 118.786 118.786 120.965 -2.179 18701 6378 1 8 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.314 -0.060 18701 6379 1 8 . 1 1 66 66 GLU C C 66 174.063 174.063 175.017 -0.954 18701 6380 1 8 . 1 1 66 66 GLU CA C 66 55.823 55.823 56.780 -0.957 18701 6381 1 8 . 1 1 66 66 GLU CB C 66 33.031 33.031 30.025 3.006 18701 6382 1 8 . 1 1 66 66 GLU H H 66 7.775 7.775 8.319 -0.544 18701 6383 1 8 . 1 1 67 67 CYS N N 67 114.372 114.372 121.015 -6.643 18701 6384 1 8 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.715 -0.509 18701 6385 1 8 . 1 1 67 67 CYS C C 67 175.517 175.517 173.340 2.177 18701 6386 1 8 . 1 1 67 67 CYS CA C 67 56.431 56.431 57.070 -0.639 18701 6387 1 8 . 1 1 67 67 CYS CB C 67 29.465 29.465 31.591 -2.126 18701 6388 1 8 . 1 1 67 67 CYS H H 67 7.586 7.586 8.224 -0.638 18701 6389 1 8 . 1 1 68 68 ARG N N 68 117.544 117.544 120.642 -3.098 18701 6390 1 8 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.243 0.163 18701 6391 1 8 . 1 1 68 68 ARG C C 68 176.624 176.624 173.988 2.636 18701 6392 1 8 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.855 0.479 18701 6393 1 8 . 1 1 68 68 ARG CB C 68 32.376 32.376 31.005 1.371 18701 6394 1 8 . 1 1 68 68 ARG H H 68 7.682 7.682 8.477 -0.795 18701 6395 1 8 . 1 1 69 69 TYR N N 69 115.996 115.996 118.956 -2.960 18701 6396 1 8 . 1 1 69 69 TYR HA H 69 5.819 5.819 5.236 0.583 18701 6397 1 8 . 1 1 69 69 TYR C C 69 175.300 175.300 174.342 0.958 18701 6398 1 8 . 1 1 69 69 TYR CA C 69 54.379 54.379 56.185 -1.806 18701 6399 1 8 . 1 1 69 69 TYR CB C 69 41.998 41.998 39.061 2.937 18701 6400 1 8 . 1 1 69 69 TYR H H 69 8.139 8.139 7.699 0.440 18701 6401 1 8 . 1 1 70 70 ALA N N 70 121.451 121.451 121.234 0.217 18701 6402 1 8 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.004 0.732 18701 6403 1 8 . 1 1 70 70 ALA C C 70 174.367 174.367 174.707 -0.340 18701 6404 1 8 . 1 1 70 70 ALA CA C 70 52.458 52.458 51.168 1.290 18701 6405 1 8 . 1 1 70 70 ALA CB C 70 24.158 24.158 23.136 1.022 18701 6406 1 8 . 1 1 70 70 ALA H H 70 9.334 9.334 8.704 0.630 18701 6407 1 8 . 1 1 71 71 ALA N N 71 121.815 121.815 121.973 -0.158 18701 6408 1 8 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.656 0.212 18701 6409 1 8 . 1 1 71 71 ALA C C 71 175.495 175.495 175.117 0.378 18701 6410 1 8 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.122 0.969 18701 6411 1 8 . 1 1 71 71 ALA CB C 71 21.554 21.554 23.392 -1.838 18701 6412 1 8 . 1 1 71 71 ALA H H 71 9.059 9.059 9.262 -0.203 18701 6413 1 8 . 1 1 72 72 VAL N N 72 120.963 120.963 121.564 -0.601 18701 6414 1 8 . 1 1 72 72 VAL HA H 72 4.505 4.505 4.475 0.030 18701 6415 1 8 . 1 1 72 72 VAL C C 72 173.194 173.194 173.432 -0.238 18701 6416 1 8 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.029 1.247 18701 6417 1 8 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.533 -0.467 18701 6418 1 8 . 1 1 72 72 VAL H H 72 8.665 8.665 8.636 0.029 18701 6419 1 8 . 1 1 73 73 ASP N N 73 128.360 128.360 126.514 1.846 18701 6420 1 8 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.121 -0.150 18701 6421 1 8 . 1 1 73 73 ASP C C 73 175.256 175.256 174.067 1.189 18701 6422 1 8 . 1 1 73 73 ASP CA C 73 53.891 53.891 52.140 1.751 18701 6423 1 8 . 1 1 73 73 ASP CB C 73 41.659 41.659 43.837 -2.178 18701 6424 1 8 . 1 1 73 73 ASP H H 73 8.896 8.896 7.948 0.948 18701 6425 1 8 . 1 1 74 74 VAL N N 74 127.568 127.568 119.791 7.777 18701 6426 1 8 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.320 -0.126 18701 6427 1 8 . 1 1 74 74 VAL C C 74 173.846 173.846 173.981 -0.135 18701 6428 1 8 . 1 1 74 74 VAL CA C 74 61.846 61.846 60.419 1.427 18701 6429 1 8 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.483 -1.801 18701 6430 1 8 . 1 1 74 74 VAL H H 74 9.232 9.232 7.770 1.462 18701 6431 1 8 . 1 1 75 75 GLU N N 75 126.833 126.833 128.072 -1.239 18701 6432 1 8 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.569 0.270 18701 6433 1 8 . 1 1 75 75 GLU C C 75 175.799 175.799 174.906 0.893 18701 6434 1 8 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.854 0.724 18701 6435 1 8 . 1 1 75 75 GLU CB C 75 31.647 31.647 28.576 3.071 18701 6436 1 8 . 1 1 75 75 GLU H H 75 8.560 8.560 8.526 0.034 18701 6437 1 8 . 1 1 76 76 VAL N N 76 123.421 123.421 126.319 -2.898 18701 6438 1 8 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.182 0.250 18701 6439 1 8 . 1 1 76 76 VAL C C 76 174.562 174.562 175.621 -1.059 18701 6440 1 8 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.532 -1.069 18701 6441 1 8 . 1 1 76 76 VAL CB C 76 34.822 34.822 32.686 2.136 18701 6442 1 8 . 1 1 76 76 VAL H H 76 9.032 9.032 8.551 0.481 18701 6443 1 8 . 1 1 77 77 THR N N 77 120.606 120.606 122.898 -2.292 18701 6444 1 8 . 1 1 77 77 THR HA H 77 4.876 4.876 4.577 0.299 18701 6445 1 8 . 1 1 77 77 THR C C 77 173.998 173.998 173.936 0.062 18701 6446 1 8 . 1 1 77 77 THR CA C 77 62.172 62.172 61.410 0.762 18701 6447 1 8 . 1 1 77 77 THR CB C 77 70.067 70.067 68.365 1.702 18701 6448 1 8 . 1 1 77 77 THR H H 77 8.402 8.402 8.593 -0.191 18701 6449 1 8 . 1 1 78 78 VAL N N 78 122.942 122.942 128.227 -5.285 18701 6450 1 8 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.344 0.040 18701 6451 1 8 . 1 1 78 78 VAL C C 78 174.605 174.605 174.746 -0.141 18701 6452 1 8 . 1 1 78 78 VAL CA C 78 60.218 60.218 60.389 -0.171 18701 6453 1 8 . 1 1 78 78 VAL CB C 78 34.740 34.740 34.683 0.057 18701 6454 1 8 . 1 1 78 78 VAL H H 78 8.781 8.781 8.599 0.182 18701 6455 1 8 . 1 1 79 79 GLN N N 79 123.562 123.562 127.980 -4.418 18701 6456 1 8 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.452 -0.072 18701 6457 1 8 . 1 1 79 79 GLN C C 79 175.647 175.647 175.598 0.049 18701 6458 1 8 . 1 1 79 79 GLN CA C 79 55.578 55.578 56.635 -1.057 18701 6459 1 8 . 1 1 79 79 GLN CB C 79 29.531 29.531 28.727 0.804 18701 6460 1 8 . 1 1 79 79 GLN H H 79 8.527 8.527 8.723 -0.196 18701 6461 1 8 . 1 1 80 80 ARG N N 80 125.030 125.030 125.776 -0.746 18701 6462 1 8 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.676 -0.399 18701 6463 1 8 . 1 1 80 80 ARG C C 80 175.864 175.864 175.077 0.787 18701 6464 1 8 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.505 2.399 18701 6465 1 8 . 1 1 80 80 ARG CB C 80 31.322 31.322 32.298 -0.976 18701 6466 1 8 . 1 1 80 80 ARG H H 80 8.516 8.516 8.285 0.231 18701 6467 1 8 . 1 1 81 81 GLN N N 81 122.473 122.473 119.596 2.877 18701 6468 1 8 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.272 -0.067 18701 6469 1 8 . 1 1 81 81 GLN C C 81 176.776 176.776 176.820 -0.044 18701 6470 1 8 . 1 1 81 81 GLN CA C 81 56.625 56.625 56.547 0.078 18701 6471 1 8 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.876 0.004 18701 6472 1 8 . 1 1 81 81 GLN H H 81 8.609 8.609 8.397 0.212 18701 6473 1 8 . 1 1 82 82 GLY N N 82 112.685 112.685 108.629 4.056 18701 6474 1 8 . 1 1 82 82 GLY C C 82 173.498 173.498 173.502 -0.004 18701 6475 1 8 . 1 1 82 82 GLY CA C 82 45.729 45.729 45.053 0.676 18701 6476 1 8 . 1 1 82 82 GLY H H 82 8.766 8.766 8.761 0.005 18701 6477 1 8 . 1 1 83 83 ALA N N 83 123.093 123.093 121.307 1.786 18701 6478 1 8 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.641 -0.232 18701 6479 1 8 . 1 1 83 83 ALA C C 83 176.971 176.971 176.276 0.695 18701 6480 1 8 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.494 0.671 18701 6481 1 8 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.712 -0.461 18701 6482 1 8 . 1 1 83 83 ALA H H 83 7.965 7.965 7.589 0.376 18701 6483 1 8 . 1 1 84 84 GLU N N 84 118.929 118.929 120.863 -1.934 18701 6484 1 8 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.304 -0.050 18701 6485 1 8 . 1 1 84 84 GLU C C 84 176.928 176.928 176.506 0.422 18701 6486 1 8 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.200 0.844 18701 6487 1 8 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.353 1.073 18701 6488 1 8 . 1 1 84 84 GLU H H 84 8.390 8.390 8.744 -0.354 18701 6489 1 8 . 1 1 85 85 GLY N N 85 109.042 109.042 110.318 -1.276 18701 6490 1 8 . 1 1 85 85 GLY C C 85 173.607 173.607 173.275 0.332 18701 6491 1 8 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.328 -0.331 18701 6492 1 8 . 1 1 85 85 GLY H H 85 8.220 8.220 8.013 0.207 18701 6493 1 8 . 1 1 86 86 THR N N 86 112.014 112.014 116.592 -4.578 18701 6494 1 8 . 1 1 86 86 THR HA H 86 4.792 4.792 4.377 0.415 18701 6495 1 8 . 1 1 86 86 THR C C 86 174.280 174.280 173.911 0.369 18701 6496 1 8 . 1 1 86 86 THR CA C 86 61.113 61.113 61.974 -0.861 18701 6497 1 8 . 1 1 86 86 THR CB C 86 71.532 71.532 68.597 2.935 18701 6498 1 8 . 1 1 86 86 THR H H 86 8.172 8.172 8.142 0.030 18701 6499 1 8 . 1 1 87 87 SER N N 87 117.161 117.161 120.842 -3.681 18701 6500 1 8 . 1 1 87 87 SER HA H 87 4.744 4.744 4.674 0.070 18701 6501 1 8 . 1 1 87 87 SER C C 87 172.956 172.956 173.985 -1.029 18701 6502 1 8 . 1 1 87 87 SER CA C 87 57.532 57.532 56.472 1.060 18701 6503 1 8 . 1 1 87 87 SER CB C 87 65.428 65.428 64.326 1.102 18701 6504 1 8 . 1 1 87 87 SER H H 87 8.782 8.782 8.840 -0.058 18701 6505 1 8 . 1 1 88 88 THR N N 88 116.763 116.763 121.138 -4.375 18701 6506 1 8 . 1 1 88 88 THR HA H 88 5.151 5.151 4.607 0.544 18701 6507 1 8 . 1 1 88 88 THR C C 88 173.650 173.650 174.202 -0.552 18701 6508 1 8 . 1 1 88 88 THR CA C 88 61.439 61.439 61.529 -0.090 18701 6509 1 8 . 1 1 88 88 THR CB C 88 71.125 71.125 68.764 2.361 18701 6510 1 8 . 1 1 88 88 THR H H 88 8.404 8.404 8.619 -0.215 18701 6511 1 8 . 1 1 89 89 LEU N N 89 126.308 126.308 129.203 -2.895 18701 6512 1 8 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.703 -0.091 18701 6513 1 8 . 1 1 89 89 LEU C C 89 174.171 174.171 175.466 -1.295 18701 6514 1 8 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.506 0.678 18701 6515 1 8 . 1 1 89 89 LEU CB C 89 45.078 45.078 44.670 0.408 18701 6516 1 8 . 1 1 89 89 LEU H H 89 9.039 9.039 8.308 0.731 18701 6517 1 8 . 1 1 90 90 ASN N N 90 120.749 120.749 122.125 -1.376 18701 6518 1 8 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.188 0.453 18701 6519 1 8 . 1 1 90 90 ASN C C 90 174.757 174.757 175.062 -0.305 18701 6520 1 8 . 1 1 90 90 ASN CA C 90 53.381 53.381 51.836 1.545 18701 6521 1 8 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.489 1.275 18701 6522 1 8 . 1 1 90 90 ASN H H 90 8.347 8.347 8.692 -0.345 18701 6523 1 8 . 1 1 91 91 LYS N N 91 123.843 123.843 123.070 0.773 18701 6524 1 8 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.808 -0.112 18701 6525 1 8 . 1 1 91 91 LYS C C 91 173.629 173.629 174.900 -1.271 18701 6526 1 8 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.245 0.069 18701 6527 1 8 . 1 1 91 91 LYS CB C 91 36.531 36.531 35.533 0.998 18701 6528 1 8 . 1 1 91 91 LYS H H 91 9.087 9.087 8.420 0.667 18701 6529 1 8 . 1 1 92 92 VAL N N 92 123.150 123.150 125.996 -2.846 18701 6530 1 8 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.435 0.668 18701 6531 1 8 . 1 1 92 92 VAL C C 92 175.517 175.517 174.589 0.928 18701 6532 1 8 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.613 0.070 18701 6533 1 8 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.898 -0.925 18701 6534 1 8 . 1 1 92 92 VAL H H 92 8.479 8.479 8.814 -0.335 18701 6535 1 8 . 1 1 93 93 ILE N N 93 120.433 120.433 128.628 -8.195 18701 6536 1 8 . 1 1 93 93 ILE HA H 93 5.354 5.354 5.074 0.280 18701 6537 1 8 . 1 1 93 93 ILE C C 93 174.215 174.215 173.489 0.726 18701 6538 1 8 . 1 1 93 93 ILE CA C 93 59.262 59.262 58.896 0.366 18701 6539 1 8 . 1 1 93 93 ILE CB C 93 41.008 41.008 41.848 -0.840 18701 6540 1 8 . 1 1 93 93 ILE H H 93 9.155 9.155 9.041 0.114 18701 6541 1 8 . 1 1 94 94 PHE N N 94 122.349 122.349 129.404 -7.055 18701 6542 1 8 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.225 0.356 18701 6543 1 8 . 1 1 94 94 PHE C C 94 173.042 173.042 173.673 -0.631 18701 6544 1 8 . 1 1 94 94 PHE CA C 94 56.397 56.397 56.114 0.283 18701 6545 1 8 . 1 1 94 94 PHE CB C 94 42.392 42.392 41.018 1.374 18701 6546 1 8 . 1 1 94 94 PHE H H 94 9.002 9.002 9.223 -0.221 18701 6547 1 8 . 1 1 95 95 VAL N N 95 126.937 126.937 128.249 -1.312 18701 6548 1 8 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.775 -0.069 18701 6549 1 8 . 1 1 95 95 VAL C C 95 174.128 174.128 174.999 -0.871 18701 6550 1 8 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.053 0.455 18701 6551 1 8 . 1 1 95 95 VAL CB C 95 35.554 35.554 31.768 3.786 18701 6552 1 8 . 1 1 95 95 VAL H H 95 8.978 8.978 8.948 0.030 18701 6553 1 8 . 1 1 96 96 GLN N N 96 124.946 124.946 127.918 -2.972 18701 6554 1 8 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.489 0.243 18701 6555 1 8 . 1 1 96 96 GLN C C 96 172.912 172.912 174.738 -1.826 18701 6556 1 8 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.579 0.842 18701 6557 1 8 . 1 1 96 96 GLN CB C 96 31.403 31.403 28.929 2.474 18701 6558 1 8 . 1 1 96 96 GLN H H 96 8.516 8.516 8.290 0.226 18701 6559 1 8 . 1 1 97 97 TYR N N 97 129.236 129.236 125.385 3.851 18701 6560 1 8 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.026 -0.007 18701 6561 1 8 . 1 1 97 97 TYR C C 97 174.844 174.844 175.263 -0.419 18701 6562 1 8 . 1 1 97 97 TYR CA C 97 57.244 57.244 58.136 -0.892 18701 6563 1 8 . 1 1 97 97 TYR CB C 97 41.252 41.252 38.526 2.726 18701 6564 1 8 . 1 1 97 97 TYR H H 97 9.030 9.030 8.460 0.570 18701 6565 1 8 . 1 1 98 98 CYS N N 98 127.084 127.084 122.624 4.460 18701 6566 1 8 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.736 -0.004 18701 6567 1 8 . 1 1 98 98 CYS CA C 98 54.602 54.602 56.238 -1.636 18701 6568 1 8 . 1 1 98 98 CYS CB C 98 29.042 29.042 31.030 -1.988 18701 6569 1 8 . 1 1 98 98 CYS H H 98 8.227 8.227 9.152 -0.925 18701 6570 1 8 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.502 0.241 18701 6571 1 8 . 1 1 99 99 PRO C C 99 177.492 177.492 176.160 1.332 18701 6572 1 8 . 1 1 99 99 PRO CA C 99 62.579 62.579 63.221 -0.642 18701 6573 1 8 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.548 -0.087 18701 6574 1 8 . 1 1 100 100 ASP N N 100 120.420 120.420 120.817 -0.397 18701 6575 1 8 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.469 -0.251 18701 6576 1 8 . 1 1 100 100 ASP C C 100 176.993 176.993 176.508 0.485 18701 6577 1 8 . 1 1 100 100 ASP CA C 100 57.369 57.369 55.305 2.064 18701 6578 1 8 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.908 -0.226 18701 6579 1 8 . 1 1 100 100 ASP H H 100 8.584 8.584 8.456 0.128 18701 6580 1 8 . 1 1 101 101 ASN N N 101 112.580 112.580 116.431 -3.851 18701 6581 1 8 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.718 0.073 18701 6582 1 8 . 1 1 101 101 ASN C C 101 175.256 175.256 174.580 0.676 18701 6583 1 8 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.727 0.057 18701 6584 1 8 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.016 0.062 18701 6585 1 8 . 1 1 101 101 ASN H H 101 8.055 8.055 8.065 -0.010 18701 6586 1 8 . 1 1 102 102 ALA N N 102 123.140 123.140 124.976 -1.836 18701 6587 1 8 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.475 0.066 18701 6588 1 8 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.540 1.007 18701 6589 1 8 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.744 -1.342 18701 6590 1 8 . 1 1 102 102 ALA H H 102 7.207 7.207 7.377 -0.170 18701 6591 1 8 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.451 -0.019 18701 6592 1 8 . 1 1 103 103 PRO C C 103 178.208 178.208 177.676 0.532 18701 6593 1 8 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.496 0.652 18701 6594 1 8 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.214 0.166 18701 6595 1 8 . 1 1 104 104 VAL N N 104 125.953 125.953 123.056 2.897 18701 6596 1 8 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.713 -0.117 18701 6597 1 8 . 1 1 104 104 VAL C C 104 177.210 177.210 178.165 -0.955 18701 6598 1 8 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.403 0.490 18701 6599 1 8 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.570 0.403 18701 6600 1 8 . 1 1 104 104 VAL H H 104 8.747 8.747 8.639 0.108 18701 6601 1 8 . 1 1 105 105 ARG N N 105 118.556 118.556 119.413 -0.857 18701 6602 1 8 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.150 -0.065 18701 6603 1 8 . 1 1 105 105 ARG C C 105 179.185 179.185 178.673 0.512 18701 6604 1 8 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.516 0.132 18701 6605 1 8 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.504 0.190 18701 6606 1 8 . 1 1 105 105 ARG H H 105 8.866 8.866 8.653 0.213 18701 6607 1 8 . 1 1 106 106 ARG N N 106 118.188 118.188 120.079 -1.891 18701 6608 1 8 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.214 0.004 18701 6609 1 8 . 1 1 106 106 ARG C C 106 177.991 177.991 178.407 -0.416 18701 6610 1 8 . 1 1 106 106 ARG CA C 106 58.579 58.579 58.931 -0.352 18701 6611 1 8 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.202 -0.101 18701 6612 1 8 . 1 1 106 106 ARG H H 106 7.140 7.140 7.864 -0.724 18701 6613 1 8 . 1 1 107 107 ARG N N 107 119.484 119.484 120.581 -1.097 18701 6614 1 8 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.305 -0.290 18701 6615 1 8 . 1 1 107 107 ARG C C 107 179.424 179.424 178.383 1.041 18701 6616 1 8 . 1 1 107 107 ARG CA C 107 60.625 60.625 59.057 1.567 18701 6617 1 8 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.736 0.527 18701 6618 1 8 . 1 1 107 107 ARG H H 107 8.246 8.246 8.662 -0.416 18701 6619 1 8 . 1 1 108 108 MET N N 108 117.193 117.193 119.115 -1.922 18701 6620 1 8 . 1 1 108 108 MET HA H 108 4.218 4.218 4.115 0.103 18701 6621 1 8 . 1 1 108 108 MET C C 108 178.968 178.968 178.068 0.900 18701 6622 1 8 . 1 1 108 108 MET CA C 108 58.671 58.671 57.551 1.120 18701 6623 1 8 . 1 1 108 108 MET CB C 108 32.380 32.380 31.948 0.432 18701 6624 1 8 . 1 1 108 108 MET H H 108 8.599 8.599 8.185 0.414 18701 6625 1 8 . 1 1 109 109 LEU N N 109 123.421 123.421 119.147 4.274 18701 6626 1 8 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.912 0.282 18701 6627 1 8 . 1 1 109 109 LEU C C 109 180.444 180.444 179.377 1.067 18701 6628 1 8 . 1 1 109 109 LEU CA C 109 58.183 58.183 58.312 -0.129 18701 6629 1 8 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.323 1.069 18701 6630 1 8 . 1 1 109 109 LEU H H 109 7.924 7.924 7.551 0.373 18701 6631 1 8 . 1 1 110 110 TYR N N 110 120.798 120.798 117.363 3.435 18701 6632 1 8 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.438 -0.245 18701 6633 1 8 . 1 1 110 110 TYR C C 110 180.574 180.574 177.465 3.109 18701 6634 1 8 . 1 1 110 110 TYR CA C 110 61.602 61.602 60.730 0.872 18701 6635 1 8 . 1 1 110 110 TYR CB C 110 37.833 37.833 37.337 0.496 18701 6636 1 8 . 1 1 110 110 TYR H H 110 8.761 8.761 7.914 0.847 18701 6637 1 8 . 1 1 111 111 ALA N N 111 123.703 123.703 121.267 2.436 18701 6638 1 8 . 1 1 111 111 ALA HA H 111 4.362 4.362 3.846 0.516 18701 6639 1 8 . 1 1 111 111 ALA C C 111 180.314 180.314 179.484 0.830 18701 6640 1 8 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.157 1.503 18701 6641 1 8 . 1 1 111 111 ALA CB C 111 18.461 18.461 17.877 0.584 18701 6642 1 8 . 1 1 111 111 ALA H H 111 8.668 8.668 7.256 1.412 18701 6643 1 8 . 1 1 112 112 SER N N 112 112.404 112.404 113.542 -1.138 18701 6644 1 8 . 1 1 112 112 SER HA H 112 4.360 4.360 4.206 0.154 18701 6645 1 8 . 1 1 112 112 SER C C 112 176.949 176.949 175.877 1.072 18701 6646 1 8 . 1 1 112 112 SER CA C 112 60.869 60.869 60.646 0.223 18701 6647 1 8 . 1 1 112 112 SER CB C 112 63.474 63.474 63.542 -0.068 18701 6648 1 8 . 1 1 112 112 SER H H 112 8.532 8.532 7.948 0.584 18701 6649 1 8 . 1 1 113 113 SER N N 113 115.828 115.828 118.703 -2.875 18701 6650 1 8 . 1 1 113 113 SER HA H 113 4.552 4.552 4.313 0.239 18701 6651 1 8 . 1 1 113 113 SER C C 113 173.390 173.390 175.359 -1.969 18701 6652 1 8 . 1 1 113 113 SER CA C 113 60.218 60.218 61.339 -1.121 18701 6653 1 8 . 1 1 113 113 SER CB C 113 63.393 63.393 62.794 0.599 18701 6654 1 8 . 1 1 113 113 SER H H 113 7.607 7.607 7.687 -0.080 18701 6655 1 8 . 1 1 114 114 VAL N N 114 119.484 119.484 121.686 -2.202 18701 6656 1 8 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.490 -0.134 18701 6657 1 8 . 1 1 114 114 VAL C C 114 176.016 176.016 177.384 -1.368 18701 6658 1 8 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.949 -2.335 18701 6659 1 8 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.496 0.395 18701 6660 1 8 . 1 1 114 114 VAL H H 114 6.999 6.999 7.402 -0.403 18701 6661 1 8 . 1 1 115 115 ARG N N 115 121.686 121.686 117.840 3.846 18701 6662 1 8 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.987 -0.287 18701 6663 1 8 . 1 1 115 115 ARG C C 115 178.360 178.360 177.126 1.234 18701 6664 1 8 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.340 1.552 18701 6665 1 8 . 1 1 115 115 ARG CB C 115 29.205 29.205 28.634 0.570 18701 6666 1 8 . 1 1 115 115 ARG H H 115 7.740 7.740 8.563 -0.823 18701 6667 1 8 . 1 1 116 116 ALA N N 116 121.346 121.346 121.843 -0.497 18701 6668 1 8 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.147 -0.108 18701 6669 1 8 . 1 1 116 116 ALA C C 116 180.335 180.335 179.090 1.245 18701 6670 1 8 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.375 0.389 18701 6671 1 8 . 1 1 116 116 ALA CB C 116 17.891 17.891 19.360 -1.470 18701 6672 1 8 . 1 1 116 116 ALA H H 116 7.737 7.737 7.174 0.563 18701 6673 1 8 . 1 1 117 117 LEU N N 117 119.203 119.203 116.926 2.277 18701 6674 1 8 . 1 1 117 117 LEU HA H 117 3.655 3.655 4.037 -0.382 18701 6675 1 8 . 1 1 117 117 LEU C C 117 177.449 177.449 178.579 -1.130 18701 6676 1 8 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.699 0.158 18701 6677 1 8 . 1 1 117 117 LEU CB C 117 41.578 41.578 41.159 0.419 18701 6678 1 8 . 1 1 117 117 LEU H H 117 6.785 6.785 8.160 -1.375 18701 6679 1 8 . 1 1 118 118 LYS N N 118 114.804 114.804 119.717 -4.913 18701 6680 1 8 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.672 0.690 18701 6681 1 8 . 1 1 118 118 LYS C C 118 178.686 178.686 177.612 1.074 18701 6682 1 8 . 1 1 118 118 LYS CA C 118 59.974 59.974 58.871 1.103 18701 6683 1 8 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.275 0.186 18701 6684 1 8 . 1 1 118 118 LYS H H 118 8.132 8.132 7.755 0.377 18701 6685 1 8 . 1 1 119 119 ALA N N 119 119.833 119.833 120.381 -0.548 18701 6686 1 8 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.332 -0.175 18701 6687 1 8 . 1 1 119 119 ALA C C 119 180.183 180.183 180.460 -0.277 18701 6688 1 8 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.618 -0.179 18701 6689 1 8 . 1 1 119 119 ALA CB C 119 18.379 18.379 17.873 0.506 18701 6690 1 8 . 1 1 119 119 ALA H H 119 8.068 8.068 7.760 0.308 18701 6691 1 8 . 1 1 120 120 SER N N 120 112.312 112.312 114.702 -2.390 18701 6692 1 8 . 1 1 120 120 SER HA H 120 4.073 4.073 4.233 -0.160 18701 6693 1 8 . 1 1 120 120 SER C C 120 175.799 175.799 175.485 0.314 18701 6694 1 8 . 1 1 120 120 SER CA C 120 61.602 61.602 60.703 0.899 18701 6695 1 8 . 1 1 120 120 SER CB C 120 63.555 63.555 63.218 0.337 18701 6696 1 8 . 1 1 120 120 SER H H 120 7.713 7.713 7.670 0.043 18701 6697 1 8 . 1 1 121 121 LEU N N 121 116.812 116.812 119.586 -2.774 18701 6698 1 8 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.194 -0.109 18701 6699 1 8 . 1 1 121 121 LEU C C 121 176.125 176.125 175.883 0.242 18701 6700 1 8 . 1 1 121 121 LEU CA C 121 55.904 55.904 53.624 2.280 18701 6701 1 8 . 1 1 121 121 LEU CB C 121 41.252 41.252 41.922 -0.670 18701 6702 1 8 . 1 1 121 121 LEU H H 121 7.272 7.272 7.136 0.136 18701 6703 1 8 . 1 1 122 122 GLY N N 122 108.734 108.734 106.001 2.733 18701 6704 1 8 . 1 1 122 122 GLY C C 122 176.754 176.754 175.065 1.689 18701 6705 1 8 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.498 1.778 18701 6706 1 8 . 1 1 122 122 GLY H H 122 7.377 7.377 7.258 0.119 18701 6707 1 8 . 1 1 123 123 LEU N N 123 116.950 116.950 118.540 -1.590 18701 6708 1 8 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.489 -0.344 18701 6709 1 8 . 1 1 123 123 LEU C C 123 178.187 178.187 177.705 0.482 18701 6710 1 8 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.689 0.261 18701 6711 1 8 . 1 1 123 123 LEU CB C 123 41.903 41.903 41.151 0.752 18701 6712 1 8 . 1 1 123 123 LEU H H 123 8.201 8.201 7.856 0.345 18701 6713 1 8 . 1 1 124 124 GLU N N 124 120.328 120.328 120.712 -0.384 18701 6714 1 8 . 1 1 124 124 GLU HA H 124 3.704 3.704 3.936 -0.232 18701 6715 1 8 . 1 1 124 124 GLU C C 124 176.970 176.970 177.594 -0.624 18701 6716 1 8 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.461 1.001 18701 6717 1 8 . 1 1 124 124 GLU CB C 124 29.205 29.205 29.012 0.194 18701 6718 1 8 . 1 1 124 124 GLU H H 124 9.213 9.213 8.603 0.610 18701 6719 1 8 . 1 1 125 125 SER N N 125 110.938 110.938 113.955 -3.017 18701 6720 1 8 . 1 1 125 125 SER HA H 125 4.456 4.456 4.389 0.067 18701 6721 1 8 . 1 1 125 125 SER C C 125 174.475 174.475 173.909 0.566 18701 6722 1 8 . 1 1 125 125 SER CA C 125 58.590 58.590 58.118 0.472 18701 6723 1 8 . 1 1 125 125 SER CB C 125 63.555 63.555 63.184 0.371 18701 6724 1 8 . 1 1 125 125 SER H H 125 8.308 8.308 8.315 -0.007 18701 6725 1 8 . 1 1 126 126 LEU N N 126 121.193 121.193 120.742 0.451 18701 6726 1 8 . 1 1 126 126 LEU HA H 126 4.469 4.469 3.761 0.708 18701 6727 1 8 . 1 1 126 126 LEU C C 126 177.774 177.774 175.618 2.156 18701 6728 1 8 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.055 1.872 18701 6729 1 8 . 1 1 126 126 LEU CB C 126 42.066 42.066 43.529 -1.463 18701 6730 1 8 . 1 1 126 126 LEU H H 126 7.178 7.178 7.182 -0.004 18701 6731 1 8 . 1 1 127 127 PHE N N 127 125.109 125.109 117.487 7.622 18701 6732 1 8 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.793 -0.445 18701 6733 1 8 . 1 1 127 127 PHE C C 127 173.542 173.542 174.547 -1.005 18701 6734 1 8 . 1 1 127 127 PHE CA C 127 59.816 59.816 56.962 2.853 18701 6735 1 8 . 1 1 127 127 PHE CB C 127 39.950 39.950 41.002 -1.052 18701 6736 1 8 . 1 1 127 127 PHE H H 127 9.050 9.050 7.907 1.143 18701 6737 1 8 . 1 1 128 128 GLN N N 128 125.953 125.953 123.301 2.652 18701 6738 1 8 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.444 0.066 18701 6739 1 8 . 1 1 128 128 GLN C C 128 174.736 174.736 174.590 0.146 18701 6740 1 8 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.806 -1.274 18701 6741 1 8 . 1 1 128 128 GLN CB C 128 31.973 31.973 32.080 -0.107 18701 6742 1 8 . 1 1 128 128 GLN H H 128 7.618 7.618 8.764 -1.146 18701 6743 1 8 . 1 1 129 129 VAL N N 129 123.703 123.703 127.513 -3.810 18701 6744 1 8 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.447 -0.372 18701 6745 1 8 . 1 1 129 129 VAL C C 129 174.736 174.736 174.150 0.586 18701 6746 1 8 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.972 0.467 18701 6747 1 8 . 1 1 129 129 VAL CB C 129 34.984 34.984 34.828 0.156 18701 6748 1 8 . 1 1 129 129 VAL H H 129 8.948 8.948 9.202 -0.254 18701 6749 1 8 . 1 1 130 130 GLN N N 130 129.187 129.187 125.858 3.329 18701 6750 1 8 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.746 -0.015 18701 6751 1 8 . 1 1 130 130 GLN C C 130 173.780 173.780 174.672 -0.892 18701 6752 1 8 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.864 0.145 18701 6753 1 8 . 1 1 130 130 GLN CB C 130 28.391 28.391 30.111 -1.720 18701 6754 1 8 . 1 1 130 130 GLN H H 130 8.988 8.988 8.562 0.426 18701 6755 1 8 . 1 1 131 131 ALA N N 131 127.359 127.359 125.490 1.869 18701 6756 1 8 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.062 -0.246 18701 6757 1 8 . 1 1 131 131 ALA C C 131 174.909 174.909 176.148 -1.239 18701 6758 1 8 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.649 0.116 18701 6759 1 8 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.445 1.306 18701 6760 1 8 . 1 1 131 131 ALA H H 131 8.663 8.663 8.846 -0.183 18701 6761 1 8 . 1 1 132 132 SER N N 132 116.281 116.281 119.316 -3.035 18701 6762 1 8 . 1 1 132 132 SER HA H 132 4.085 4.085 4.676 -0.591 18701 6763 1 8 . 1 1 132 132 SER C C 132 172.087 172.087 174.743 -2.656 18701 6764 1 8 . 1 1 132 132 SER CA C 132 57.667 57.667 59.649 -1.982 18701 6765 1 8 . 1 1 132 132 SER CB C 132 65.916 65.916 63.784 2.132 18701 6766 1 8 . 1 1 132 132 SER H H 132 9.369 9.369 9.087 0.282 18701 6767 1 8 . 1 1 133 133 GLU N N 133 119.487 119.487 117.094 2.393 18701 6768 1 8 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.566 0.261 18701 6769 1 8 . 1 1 133 133 GLU C C 133 177.666 177.666 177.309 0.357 18701 6770 1 8 . 1 1 133 133 GLU CA C 133 54.998 54.998 55.268 -0.270 18701 6771 1 8 . 1 1 133 133 GLU CB C 133 33.112 33.112 30.205 2.907 18701 6772 1 8 . 1 1 133 133 GLU H H 133 7.739 7.739 7.726 0.013 18701 6773 1 8 . 1 1 134 134 MET N N 134 122.237 122.237 114.778 7.459 18701 6774 1 8 . 1 1 134 134 MET HA H 134 4.529 4.529 4.277 0.252 18701 6775 1 8 . 1 1 134 134 MET C C 134 180.856 180.856 176.616 4.240 18701 6776 1 8 . 1 1 134 134 MET CA C 134 56.593 56.593 58.538 -1.945 18701 6777 1 8 . 1 1 134 134 MET CB C 134 29.042 29.042 32.737 -3.695 18701 6778 1 8 . 1 1 134 134 MET H H 134 9.143 9.143 8.376 0.767 18701 6779 1 8 . 1 1 135 135 SER N N 135 116.214 116.214 113.195 3.019 18701 6780 1 8 . 1 1 135 135 SER HA H 135 4.205 4.205 4.378 -0.173 18701 6781 1 8 . 1 1 135 135 SER C C 135 176.993 176.993 176.373 0.620 18701 6782 1 8 . 1 1 135 135 SER CA C 135 61.216 61.216 60.834 0.382 18701 6783 1 8 . 1 1 135 135 SER CB C 135 62.253 62.253 63.420 -1.167 18701 6784 1 8 . 1 1 135 135 SER H H 135 8.659 8.659 8.551 0.108 18701 6785 1 8 . 1 1 136 136 ASP N N 136 122.296 122.296 121.555 0.741 18701 6786 1 8 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.628 -0.075 18701 6787 1 8 . 1 1 136 136 ASP C C 136 175.647 175.647 177.499 -1.852 18701 6788 1 8 . 1 1 136 136 ASP CA C 136 56.881 56.881 56.084 0.797 18701 6789 1 8 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.320 0.339 18701 6790 1 8 . 1 1 136 136 ASP H H 136 7.861 7.861 7.854 0.007 18701 6791 1 8 . 1 1 137 137 LEU N N 137 113.859 113.859 112.942 0.917 18701 6792 1 8 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.670 -0.153 18701 6793 1 8 . 1 1 137 137 LEU C C 137 176.038 176.038 176.187 -0.149 18701 6794 1 8 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.107 -0.889 18701 6795 1 8 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.839 -0.017 18701 6796 1 8 . 1 1 137 137 LEU H H 137 7.617 7.617 7.333 0.284 18701 6797 1 8 . 1 1 138 138 ASP N N 138 119.906 119.906 121.396 -1.490 18701 6798 1 8 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.603 -0.278 18701 6799 1 8 . 1 1 138 138 ASP C C 138 175.842 175.842 177.328 -1.486 18701 6800 1 8 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.528 1.457 18701 6801 1 8 . 1 1 138 138 ASP CB C 138 43.287 43.287 43.010 0.277 18701 6802 1 8 . 1 1 138 138 ASP H H 138 7.119 7.119 7.205 -0.086 18701 6803 1 8 . 1 1 139 139 GLU N N 139 128.062 128.062 126.524 1.538 18701 6804 1 8 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.924 -0.615 18701 6805 1 8 . 1 1 139 139 GLU C C 139 177.275 177.275 177.989 -0.714 18701 6806 1 8 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.681 1.618 18701 6807 1 8 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.067 1.441 18701 6808 1 8 . 1 1 139 139 GLU H H 139 8.943 8.943 8.868 0.075 18701 6809 1 8 . 1 1 140 140 LYS N N 140 115.993 115.993 119.246 -3.253 18701 6810 1 8 . 1 1 140 140 LYS HA H 140 3.894 3.894 4.020 -0.126 18701 6811 1 8 . 1 1 140 140 LYS C C 140 179.771 179.771 177.816 1.955 18701 6812 1 8 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.891 0.664 18701 6813 1 8 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.410 0.563 18701 6814 1 8 . 1 1 140 140 LYS H H 140 8.243 8.243 8.104 0.139 18701 6815 1 8 . 1 1 141 141 SER N N 141 116.877 116.877 116.117 0.760 18701 6816 1 8 . 1 1 141 141 SER HA H 141 4.184 4.184 4.545 -0.361 18701 6817 1 8 . 1 1 141 141 SER C C 141 175.973 175.973 176.454 -0.481 18701 6818 1 8 . 1 1 141 141 SER CA C 141 61.737 61.737 61.365 0.372 18701 6819 1 8 . 1 1 141 141 SER CB C 141 62.986 62.986 64.734 -1.748 18701 6820 1 8 . 1 1 141 141 SER H H 141 7.856 7.856 7.976 -0.120 18701 6821 1 8 . 1 1 142 142 VAL N N 142 121.874 121.874 122.766 -0.892 18701 6822 1 8 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.549 0.227 18701 6823 1 8 . 1 1 142 142 VAL C C 142 178.165 178.165 177.286 0.879 18701 6824 1 8 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.329 -0.599 18701 6825 1 8 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.397 0.983 18701 6826 1 8 . 1 1 142 142 VAL H H 142 8.476 8.476 7.722 0.754 18701 6827 1 8 . 1 1 143 143 LYS N N 143 116.141 116.141 120.113 -3.972 18701 6828 1 8 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.939 -0.320 18701 6829 1 8 . 1 1 143 143 LYS C C 143 178.512 178.512 178.808 -0.296 18701 6830 1 8 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.423 1.853 18701 6831 1 8 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.845 0.291 18701 6832 1 8 . 1 1 143 143 LYS H H 143 8.157 8.157 7.899 0.258 18701 6833 1 8 . 1 1 144 144 SER N N 144 113.862 113.862 115.872 -2.010 18701 6834 1 8 . 1 1 144 144 SER HA H 144 4.158 4.158 4.106 0.052 18701 6835 1 8 . 1 1 144 144 SER C C 144 177.340 177.340 176.586 0.754 18701 6836 1 8 . 1 1 144 144 SER CA C 144 61.769 61.769 61.831 -0.062 18701 6837 1 8 . 1 1 144 144 SER CB C 144 62.986 62.986 62.960 0.026 18701 6838 1 8 . 1 1 144 144 SER H H 144 7.754 7.754 7.748 0.006 18701 6839 1 8 . 1 1 145 145 ASP N N 145 123.316 123.316 122.314 1.002 18701 6840 1 8 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.292 0.116 18701 6841 1 8 . 1 1 145 145 ASP C C 145 178.708 178.708 178.158 0.550 18701 6842 1 8 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.217 0.152 18701 6843 1 8 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.078 -0.883 18701 6844 1 8 . 1 1 145 145 ASP H H 145 8.172 8.172 8.253 -0.081 18701 6845 1 8 . 1 1 146 146 LEU N N 146 121.453 121.453 120.910 0.543 18701 6846 1 8 . 1 1 146 146 LEU HA H 146 3.058 3.058 3.715 -0.657 18701 6847 1 8 . 1 1 146 146 LEU C C 146 178.447 178.447 178.379 0.068 18701 6848 1 8 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.702 -0.333 18701 6849 1 8 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.959 0.678 18701 6850 1 8 . 1 1 146 146 LEU H H 146 8.186 8.186 7.913 0.273 18701 6851 1 8 . 1 1 147 147 MET N N 147 115.468 115.468 117.154 -1.686 18701 6852 1 8 . 1 1 147 147 MET HA H 147 4.314 4.314 4.432 -0.118 18701 6853 1 8 . 1 1 147 147 MET C C 147 177.839 177.839 178.693 -0.854 18701 6854 1 8 . 1 1 147 147 MET CA C 147 56.311 56.311 57.844 -1.533 18701 6855 1 8 . 1 1 147 147 MET CB C 147 31.891 31.891 31.321 0.570 18701 6856 1 8 . 1 1 147 147 MET H H 147 7.622 7.622 8.058 -0.436 18701 6857 1 8 . 1 1 148 148 SER N N 148 115.203 115.203 114.614 0.589 18701 6858 1 8 . 1 1 148 148 SER HA H 148 4.338 4.338 4.253 0.085 18701 6859 1 8 . 1 1 148 148 SER C C 148 174.953 174.953 176.380 -1.427 18701 6860 1 8 . 1 1 148 148 SER CA C 148 60.137 60.137 61.057 -0.920 18701 6861 1 8 . 1 1 148 148 SER CB C 148 63.637 63.637 62.837 0.800 18701 6862 1 8 . 1 1 148 148 SER H H 148 7.836 7.836 7.752 0.084 18701 6863 1 8 . 1 1 149 149 ASN N N 149 119.635 119.635 118.965 0.670 18701 6864 1 8 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.769 -0.086 18701 6865 1 8 . 1 1 149 149 ASN C C 149 174.953 174.953 177.534 -2.581 18701 6866 1 8 . 1 1 149 149 ASN CA C 149 54.439 54.439 54.006 0.433 18701 6867 1 8 . 1 1 149 149 ASN CB C 149 39.706 39.706 38.670 1.036 18701 6868 1 8 . 1 1 149 149 ASN H H 149 8.040 8.040 7.563 0.477 18701 6869 1 8 . 1 1 150 150 GLN N N 150 118.805 118.805 119.591 -0.786 18701 6870 1 8 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.940 0.373 18701 6871 1 8 . 1 1 150 150 GLN C C 150 175.365 175.365 175.904 -0.539 18701 6872 1 8 . 1 1 150 150 GLN CA C 150 55.823 55.823 59.634 -3.811 18701 6873 1 8 . 1 1 150 150 GLN CB C 150 29.287 29.287 28.869 0.418 18701 6874 1 8 . 1 1 150 150 GLN H H 150 8.041 8.041 7.640 0.401 18701 6875 1 8 . 1 1 151 151 ARG N N 151 122.082 122.082 114.053 8.029 18701 6876 1 8 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.584 -0.222 18701 6877 1 8 . 1 1 151 151 ARG C C 151 175.213 175.213 175.176 0.037 18701 6878 1 8 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.823 0.509 18701 6879 1 8 . 1 1 151 151 ARG CB C 151 30.426 30.426 29.648 0.778 18701 6880 1 8 . 1 1 151 151 ARG H H 151 8.221 8.221 8.056 0.165 18701 6881 1 9 . 1 1 2 2 ALA N N 2 126.155 126.155 122.796 3.359 18701 6882 1 9 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.338 0.004 18701 6883 1 9 . 1 1 2 2 ALA C C 2 177.458 177.458 177.350 0.108 18701 6884 1 9 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.291 0.525 18701 6885 1 9 . 1 1 2 2 ALA CB C 2 19.437 19.437 18.642 0.795 18701 6886 1 9 . 1 1 2 2 ALA H H 2 8.404 8.404 8.130 0.274 18701 6887 1 9 . 1 1 3 3 SER N N 3 115.406 115.406 113.255 2.151 18701 6888 1 9 . 1 1 3 3 SER HA H 3 4.409 4.409 4.247 0.162 18701 6889 1 9 . 1 1 3 3 SER C C 3 174.739 174.739 174.801 -0.062 18701 6890 1 9 . 1 1 3 3 SER CA C 3 58.346 58.346 59.506 -1.160 18701 6891 1 9 . 1 1 3 3 SER CB C 3 64.207 64.207 62.359 1.848 18701 6892 1 9 . 1 1 3 3 SER H H 3 8.283 8.283 7.449 0.834 18701 6893 1 9 . 1 1 4 4 GLY N N 4 110.853 110.853 104.866 5.987 18701 6894 1 9 . 1 1 4 4 GLY C C 4 173.502 173.502 173.552 -0.050 18701 6895 1 9 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.936 0.142 18701 6896 1 9 . 1 1 4 4 GLY H H 4 8.358 8.358 8.447 -0.089 18701 6897 1 9 . 1 1 5 5 VAL N N 5 119.781 119.781 121.295 -1.514 18701 6898 1 9 . 1 1 5 5 VAL HA H 5 3.883 3.883 4.504 -0.621 18701 6899 1 9 . 1 1 5 5 VAL C C 5 175.390 175.390 176.137 -0.747 18701 6900 1 9 . 1 1 5 5 VAL CA C 5 62.518 62.518 61.724 0.794 18701 6901 1 9 . 1 1 5 5 VAL CB C 5 32.705 32.705 31.851 0.854 18701 6902 1 9 . 1 1 5 5 VAL H H 5 7.836 7.836 7.767 0.069 18701 6903 1 9 . 1 1 6 6 LYS N N 6 124.873 124.873 128.321 -3.448 18701 6904 1 9 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.464 0.005 18701 6905 1 9 . 1 1 6 6 LYS C C 6 175.278 175.278 175.678 -0.400 18701 6906 1 9 . 1 1 6 6 LYS CA C 6 54.927 54.927 54.640 0.287 18701 6907 1 9 . 1 1 6 6 LYS CB C 6 34.577 34.577 33.392 1.185 18701 6908 1 9 . 1 1 6 6 LYS H H 6 7.988 7.988 8.718 -0.730 18701 6909 1 9 . 1 1 7 7 VAL N N 7 122.213 122.213 118.866 3.347 18701 6910 1 9 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.142 -0.259 18701 6911 1 9 . 1 1 7 7 VAL C C 7 175.756 175.756 174.804 0.952 18701 6912 1 9 . 1 1 7 7 VAL CA C 7 62.334 62.334 61.627 0.707 18701 6913 1 9 . 1 1 7 7 VAL CB C 7 32.054 32.054 31.926 0.128 18701 6914 1 9 . 1 1 7 7 VAL H H 7 8.757 8.757 8.310 0.447 18701 6915 1 9 . 1 1 8 8 ASP N N 8 131.718 131.718 129.638 2.080 18701 6916 1 9 . 1 1 8 8 ASP HA H 8 4.673 4.673 4.931 -0.258 18701 6917 1 9 . 1 1 8 8 ASP C C 8 176.237 176.237 175.795 0.442 18701 6918 1 9 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.623 3.816 18701 6919 1 9 . 1 1 8 8 ASP CB C 8 44.590 44.590 43.106 1.484 18701 6920 1 9 . 1 1 8 8 ASP H H 8 8.820 8.820 8.290 0.530 18701 6921 1 9 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.271 0.113 18701 6922 1 9 . 1 1 9 9 PRO C C 9 177.535 177.535 178.695 -1.160 18701 6923 1 9 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.802 0.707 18701 6924 1 9 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.200 -0.146 18701 6925 1 9 . 1 1 10 10 SER N N 10 113.842 113.842 115.099 -1.257 18701 6926 1 9 . 1 1 10 10 SER HA H 10 4.265 4.265 4.285 -0.020 18701 6927 1 9 . 1 1 10 10 SER C C 10 177.666 177.666 176.693 0.973 18701 6928 1 9 . 1 1 10 10 SER CA C 10 61.541 61.541 61.978 -0.437 18701 6929 1 9 . 1 1 10 10 SER CB C 10 62.660 62.660 62.553 0.107 18701 6930 1 9 . 1 1 10 10 SER H H 10 8.811 8.811 9.265 -0.454 18701 6931 1 9 . 1 1 11 11 CYS N N 11 121.231 121.231 120.851 0.380 18701 6932 1 9 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.326 -0.180 18701 6933 1 9 . 1 1 11 11 CYS C C 11 176.211 176.211 176.171 0.040 18701 6934 1 9 . 1 1 11 11 CYS CA C 11 62.986 62.986 60.995 1.991 18701 6935 1 9 . 1 1 11 11 CYS CB C 11 27.496 27.496 26.879 0.617 18701 6936 1 9 . 1 1 11 11 CYS H H 11 8.459 8.459 7.603 0.856 18701 6937 1 9 . 1 1 12 12 LYS N N 12 119.862 119.862 120.950 -1.088 18701 6938 1 9 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.002 -0.056 18701 6939 1 9 . 1 1 12 12 LYS C C 12 177.687 177.687 178.550 -0.863 18701 6940 1 9 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.708 0.534 18701 6941 1 9 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.946 0.515 18701 6942 1 9 . 1 1 12 12 LYS H H 12 7.615 7.615 7.635 -0.020 18701 6943 1 9 . 1 1 13 13 ASN N N 13 116.871 116.871 117.580 -0.709 18701 6944 1 9 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.474 -0.006 18701 6945 1 9 . 1 1 13 13 ASN C C 13 177.297 177.297 177.419 -0.122 18701 6946 1 9 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.237 0.400 18701 6947 1 9 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.600 -0.115 18701 6948 1 9 . 1 1 13 13 ASN H H 13 7.489 7.489 8.375 -0.886 18701 6949 1 9 . 1 1 14 14 ALA N N 14 119.990 119.990 121.783 -1.793 18701 6950 1 9 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.311 -0.070 18701 6951 1 9 . 1 1 14 14 ALA C C 14 179.077 179.077 179.277 -0.200 18701 6952 1 9 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.657 0.921 18701 6953 1 9 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.475 -0.014 18701 6954 1 9 . 1 1 14 14 ALA H H 14 8.054 8.054 7.447 0.607 18701 6955 1 9 . 1 1 15 15 TYR N N 15 118.280 118.280 119.895 -1.615 18701 6956 1 9 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.247 -0.196 18701 6957 1 9 . 1 1 15 15 TYR C C 15 177.123 177.123 178.094 -0.971 18701 6958 1 9 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.681 1.060 18701 6959 1 9 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.624 0.836 18701 6960 1 9 . 1 1 15 15 TYR H H 15 8.380 8.380 8.226 0.154 18701 6961 1 9 . 1 1 16 16 ASP N N 16 121.008 121.008 119.966 1.042 18701 6962 1 9 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.211 0.091 18701 6963 1 9 . 1 1 16 16 ASP C C 16 179.185 179.185 177.550 1.635 18701 6964 1 9 . 1 1 16 16 ASP CA C 16 58.102 58.102 57.918 0.184 18701 6965 1 9 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.882 -0.525 18701 6966 1 9 . 1 1 16 16 ASP H H 16 8.722 8.722 8.562 0.160 18701 6967 1 9 . 1 1 17 17 LEU N N 17 119.368 119.368 117.066 2.302 18701 6968 1 9 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.113 -0.246 18701 6969 1 9 . 1 1 17 17 LEU C C 17 178.708 178.708 178.360 0.348 18701 6970 1 9 . 1 1 17 17 LEU CA C 17 58.102 58.102 56.750 1.352 18701 6971 1 9 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.908 0.158 18701 6972 1 9 . 1 1 17 17 LEU H H 17 7.477 7.477 7.508 -0.031 18701 6973 1 9 . 1 1 18 18 LEU N N 18 121.503 121.503 114.351 7.152 18701 6974 1 9 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.294 -0.196 18701 6975 1 9 . 1 1 18 18 LEU C C 18 176.580 176.580 178.059 -1.479 18701 6976 1 9 . 1 1 18 18 LEU CA C 18 59.902 59.902 56.534 3.368 18701 6977 1 9 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.078 2.547 18701 6978 1 9 . 1 1 18 18 LEU H H 18 7.762 7.762 7.416 0.346 18701 6979 1 9 . 1 1 19 19 HIS N N 19 116.605 116.605 120.038 -3.433 18701 6980 1 9 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.121 -0.380 18701 6981 1 9 . 1 1 19 19 HIS C C 19 174.627 174.627 175.893 -1.266 18701 6982 1 9 . 1 1 19 19 HIS CA C 19 58.904 58.904 59.593 -0.689 18701 6983 1 9 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.154 -0.135 18701 6984 1 9 . 1 1 19 19 HIS H H 19 8.983 8.983 7.385 1.598 18701 6985 1 9 . 1 1 20 20 ASN N N 20 112.497 112.497 113.592 -1.095 18701 6986 1 9 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.856 -0.291 18701 6987 1 9 . 1 1 20 20 ASN C C 20 176.624 176.624 174.742 1.882 18701 6988 1 9 . 1 1 20 20 ASN CA C 20 54.195 54.195 53.581 0.614 18701 6989 1 9 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.407 -0.827 18701 6990 1 9 . 1 1 20 20 ASN H H 20 8.308 8.308 8.337 -0.029 18701 6991 1 9 . 1 1 21 21 LYS N N 21 113.544 113.544 118.775 -5.231 18701 6992 1 9 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.383 0.025 18701 6993 1 9 . 1 1 21 21 LYS C C 21 175.669 175.669 176.469 -0.800 18701 6994 1 9 . 1 1 21 21 LYS CA C 21 55.291 55.291 56.615 -1.324 18701 6995 1 9 . 1 1 21 21 LYS CB C 21 33.275 33.275 33.519 -0.244 18701 6996 1 9 . 1 1 21 21 LYS H H 21 6.621 6.621 7.659 -1.038 18701 6997 1 9 . 1 1 22 22 HIS N N 22 115.701 115.701 116.559 -0.858 18701 6998 1 9 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.291 0.428 18701 6999 1 9 . 1 1 22 22 HIS C C 22 174.670 174.670 174.402 0.268 18701 7000 1 9 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.920 -0.588 18701 7001 1 9 . 1 1 22 22 HIS CB C 22 25.721 25.721 27.314 -1.593 18701 7002 1 9 . 1 1 22 22 HIS H H 22 6.838 6.838 8.133 -1.295 18701 7003 1 9 . 1 1 23 23 GLN N N 23 114.330 114.330 115.935 -1.605 18701 7004 1 9 . 1 1 23 23 GLN HA H 23 4.015 4.015 4.032 -0.017 18701 7005 1 9 . 1 1 23 23 GLN C C 23 174.041 174.041 174.749 -0.708 18701 7006 1 9 . 1 1 23 23 GLN CA C 23 56.311 56.311 57.029 -0.718 18701 7007 1 9 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.300 1.385 18701 7008 1 9 . 1 1 23 23 GLN H H 23 8.028 8.028 7.624 0.404 18701 7009 1 9 . 1 1 24 24 HIS N N 24 111.043 111.043 114.466 -3.423 18701 7010 1 9 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.696 -0.550 18701 7011 1 9 . 1 1 24 24 HIS C C 24 175.083 175.083 174.332 0.751 18701 7012 1 9 . 1 1 24 24 HIS CA C 24 53.305 53.305 54.096 -0.791 18701 7013 1 9 . 1 1 24 24 HIS CB C 24 33.845 33.845 32.721 1.123 18701 7014 1 9 . 1 1 24 24 HIS H H 24 6.670 6.670 7.307 -0.637 18701 7015 1 9 . 1 1 25 25 SER N N 25 115.307 115.307 117.340 -2.033 18701 7016 1 9 . 1 1 25 25 SER HA H 25 4.600 4.600 4.379 0.221 18701 7017 1 9 . 1 1 25 25 SER C C 25 173.368 173.368 173.367 0.001 18701 7018 1 9 . 1 1 25 25 SER CA C 25 59.648 59.648 59.107 0.541 18701 7019 1 9 . 1 1 25 25 SER CB C 25 64.532 64.532 64.813 -0.281 18701 7020 1 9 . 1 1 25 25 SER H H 25 7.591 7.591 8.087 -0.496 18701 7021 1 9 . 1 1 26 26 TYR N N 26 111.318 111.318 113.381 -2.063 18701 7022 1 9 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.723 -0.369 18701 7023 1 9 . 1 1 26 26 TYR C C 26 173.411 173.411 173.413 -0.002 18701 7024 1 9 . 1 1 26 26 TYR CA C 26 56.392 56.392 54.950 1.442 18701 7025 1 9 . 1 1 26 26 TYR CB C 26 41.008 41.008 41.629 -0.621 18701 7026 1 9 . 1 1 26 26 TYR H H 26 6.635 6.635 7.122 -0.487 18701 7027 1 9 . 1 1 27 27 ILE N N 27 119.710 119.710 121.507 -1.797 18701 7028 1 9 . 1 1 27 27 ILE HA H 27 4.529 4.529 5.067 -0.538 18701 7029 1 9 . 1 1 27 27 ILE C C 27 174.323 174.323 173.768 0.555 18701 7030 1 9 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.233 1.473 18701 7031 1 9 . 1 1 27 27 ILE CB C 27 44.020 44.020 42.108 1.912 18701 7032 1 9 . 1 1 27 27 ILE H H 27 9.191 9.191 9.290 -0.099 18701 7033 1 9 . 1 1 28 28 ILE N N 28 125.249 125.249 128.825 -3.576 18701 7034 1 9 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.992 -0.188 18701 7035 1 9 . 1 1 28 28 ILE C C 28 174.757 174.757 175.088 -0.331 18701 7036 1 9 . 1 1 28 28 ILE CA C 28 60.951 60.951 59.996 0.955 18701 7037 1 9 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.412 0.701 18701 7038 1 9 . 1 1 28 28 ILE H H 28 9.049 9.049 9.364 -0.315 18701 7039 1 9 . 1 1 29 29 PHE N N 29 126.153 126.153 125.305 0.848 18701 7040 1 9 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.695 0.030 18701 7041 1 9 . 1 1 29 29 PHE C C 29 174.193 174.193 173.557 0.636 18701 7042 1 9 . 1 1 29 29 PHE CA C 29 55.823 55.823 55.116 0.707 18701 7043 1 9 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.259 0.621 18701 7044 1 9 . 1 1 29 29 PHE H H 29 9.514 9.514 8.601 0.913 18701 7045 1 9 . 1 1 30 30 LYS N N 30 116.531 116.531 116.335 0.196 18701 7046 1 9 . 1 1 30 30 LYS HA H 30 5.151 5.151 5.123 0.028 18701 7047 1 9 . 1 1 30 30 LYS C C 30 173.411 173.411 175.160 -1.749 18701 7048 1 9 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.529 -0.253 18701 7049 1 9 . 1 1 30 30 LYS CB C 30 37.182 37.182 37.136 0.045 18701 7050 1 9 . 1 1 30 30 LYS H H 30 8.950 8.950 9.345 -0.395 18701 7051 1 9 . 1 1 31 31 ILE N N 31 120.757 120.757 122.217 -1.460 18701 7052 1 9 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.681 0.003 18701 7053 1 9 . 1 1 31 31 ILE C C 31 174.714 174.714 175.853 -1.139 18701 7054 1 9 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.391 0.455 18701 7055 1 9 . 1 1 31 31 ILE CB C 31 37.508 37.508 37.467 0.041 18701 7056 1 9 . 1 1 31 31 ILE H H 31 8.256 8.256 8.318 -0.062 18701 7057 1 9 . 1 1 32 32 ASP N N 32 130.811 130.811 129.897 0.914 18701 7058 1 9 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.833 -0.388 18701 7059 1 9 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.669 -0.006 18701 7060 1 9 . 1 1 32 32 ASP CB C 32 37.489 37.489 42.137 -4.648 18701 7061 1 9 . 1 1 32 32 ASP H H 32 9.441 9.441 8.630 0.811 18701 7062 1 9 . 1 1 33 33 LYS HA H 33 4.314 4.314 4.248 0.066 18701 7063 1 9 . 1 1 33 33 LYS C C 33 174.759 174.759 175.670 -0.911 18701 7064 1 9 . 1 1 33 33 LYS CA C 33 56.230 56.230 55.667 0.563 18701 7065 1 9 . 1 1 33 33 LYS CB C 33 29.205 29.205 33.162 -3.957 18701 7066 1 9 . 1 1 34 34 ASN N N 34 117.759 117.759 118.386 -0.627 18701 7067 1 9 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.382 0.302 18701 7068 1 9 . 1 1 34 34 ASN C C 34 174.736 174.736 175.147 -0.411 18701 7069 1 9 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.041 -0.890 18701 7070 1 9 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.656 0.968 18701 7071 1 9 . 1 1 34 34 ASN H H 34 8.573 8.573 8.550 0.023 18701 7072 1 9 . 1 1 35 35 ASP N N 35 115.713 115.713 118.980 -3.267 18701 7073 1 9 . 1 1 35 35 ASP C C 35 175.586 175.586 175.660 -0.074 18701 7074 1 9 . 1 1 35 35 ASP CA C 35 54.043 54.043 53.094 0.949 18701 7075 1 9 . 1 1 35 35 ASP CB C 35 42.091 42.091 41.777 0.314 18701 7076 1 9 . 1 1 35 35 ASP H H 35 8.134 8.134 7.924 0.210 18701 7077 1 9 . 1 1 36 36 THR HA H 36 4.565 4.565 4.002 0.563 18701 7078 1 9 . 1 1 36 36 THR C C 36 175.517 175.517 173.388 2.129 18701 7079 1 9 . 1 1 36 36 THR CA C 36 62.579 62.579 63.444 -0.865 18701 7080 1 9 . 1 1 36 36 THR CB C 36 71.858 71.858 68.150 3.708 18701 7081 1 9 . 1 1 37 37 ALA N N 37 124.761 124.761 128.916 -4.155 18701 7082 1 9 . 1 1 37 37 ALA HA H 37 5.498 5.498 4.984 0.514 18701 7083 1 9 . 1 1 37 37 ALA C C 37 175.300 175.300 175.120 0.180 18701 7084 1 9 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.624 0.857 18701 7085 1 9 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.643 -0.031 18701 7086 1 9 . 1 1 37 37 ALA H H 37 8.054 8.054 8.304 -0.250 18701 7087 1 9 . 1 1 38 38 ILE N N 38 121.171 121.171 121.080 0.091 18701 7088 1 9 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.979 -0.312 18701 7089 1 9 . 1 1 38 38 ILE C C 38 174.301 174.301 175.117 -0.816 18701 7090 1 9 . 1 1 38 38 ILE CA C 38 61.439 61.439 61.599 -0.160 18701 7091 1 9 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.512 0.705 18701 7092 1 9 . 1 1 38 38 ILE H H 38 8.623 8.623 8.766 -0.143 18701 7093 1 9 . 1 1 39 39 VAL N N 39 118.121 118.121 127.512 -9.391 18701 7094 1 9 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.492 0.181 18701 7095 1 9 . 1 1 39 39 VAL C C 39 174.974 174.974 173.970 1.004 18701 7096 1 9 . 1 1 39 39 VAL CA C 39 59.078 59.078 59.356 -0.279 18701 7097 1 9 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.743 -1.270 18701 7098 1 9 . 1 1 39 39 VAL H H 39 9.083 9.083 9.208 -0.125 18701 7099 1 9 . 1 1 40 40 VAL N N 40 121.315 121.315 123.830 -2.515 18701 7100 1 9 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.164 -0.376 18701 7101 1 9 . 1 1 40 40 VAL C C 40 175.300 175.300 175.163 0.137 18701 7102 1 9 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.666 0.134 18701 7103 1 9 . 1 1 40 40 VAL CB C 40 32.624 32.624 32.072 0.552 18701 7104 1 9 . 1 1 40 40 VAL H H 40 8.345 8.345 8.496 -0.151 18701 7105 1 9 . 1 1 41 41 GLU N N 41 130.920 130.920 127.760 3.160 18701 7106 1 9 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.482 -0.073 18701 7107 1 9 . 1 1 41 41 GLU C C 41 175.647 175.647 176.545 -0.898 18701 7108 1 9 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.296 -0.090 18701 7109 1 9 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.613 1.904 18701 7110 1 9 . 1 1 41 41 GLU H H 41 9.388 9.388 9.282 0.106 18701 7111 1 9 . 1 1 42 42 LYS N N 42 115.836 115.836 118.785 -2.949 18701 7112 1 9 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.679 -0.025 18701 7113 1 9 . 1 1 42 42 LYS C C 42 173.715 173.715 174.303 -0.588 18701 7114 1 9 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.269 -0.749 18701 7115 1 9 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.987 0.870 18701 7116 1 9 . 1 1 42 42 LYS H H 42 7.523 7.523 8.296 -0.773 18701 7117 1 9 . 1 1 43 43 VAL N N 43 118.472 118.472 123.273 -4.801 18701 7118 1 9 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.615 -0.170 18701 7119 1 9 . 1 1 43 43 VAL C C 43 174.931 174.931 174.442 0.489 18701 7120 1 9 . 1 1 43 43 VAL CA C 43 59.648 59.648 60.208 -0.560 18701 7121 1 9 . 1 1 43 43 VAL CB C 43 34.170 34.170 34.689 -0.519 18701 7122 1 9 . 1 1 43 43 VAL H H 43 8.315 8.315 8.461 -0.146 18701 7123 1 9 . 1 1 44 44 GLY N N 44 112.479 112.479 116.522 -4.043 18701 7124 1 9 . 1 1 44 44 GLY C C 44 174.149 174.149 173.520 0.629 18701 7125 1 9 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.293 0.091 18701 7126 1 9 . 1 1 44 44 GLY H H 44 7.953 7.953 8.380 -0.427 18701 7127 1 9 . 1 1 45 45 GLU N N 45 122.999 122.999 121.852 1.147 18701 7128 1 9 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.449 -0.029 18701 7129 1 9 . 1 1 45 45 GLU C C 45 175.365 175.365 178.259 -2.894 18701 7130 1 9 . 1 1 45 45 GLU CA C 45 56.392 56.392 55.884 0.508 18701 7131 1 9 . 1 1 45 45 GLU CB C 45 30.670 30.670 30.321 0.349 18701 7132 1 9 . 1 1 45 45 GLU H H 45 8.949 8.949 8.379 0.570 18701 7133 1 9 . 1 1 48 48 ALA N N 48 124.687 124.687 126.275 -1.588 18701 7134 1 9 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.844 -0.423 18701 7135 1 9 . 1 1 48 48 ALA C C 48 176.210 176.210 175.088 1.122 18701 7136 1 9 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.315 2.193 18701 7137 1 9 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.088 -1.441 18701 7138 1 9 . 1 1 48 48 ALA H H 48 7.627 7.627 7.719 -0.092 18701 7139 1 9 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.567 0.082 18701 7140 1 9 . 1 1 49 49 PRO C C 49 177.535 177.535 177.179 0.356 18701 7141 1 9 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.312 0.185 18701 7142 1 9 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.492 -0.356 18701 7143 1 9 . 1 1 50 50 TYR N N 50 127.091 127.091 121.003 6.088 18701 7144 1 9 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.236 -0.175 18701 7145 1 9 . 1 1 50 50 TYR C C 50 177.427 177.427 177.345 0.082 18701 7146 1 9 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.910 1.750 18701 7147 1 9 . 1 1 50 50 TYR CB C 50 38.240 38.240 36.902 1.338 18701 7148 1 9 . 1 1 50 50 TYR H H 50 9.065 9.065 8.494 0.571 18701 7149 1 9 . 1 1 51 51 ALA N N 51 117.547 117.547 122.065 -4.518 18701 7150 1 9 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.972 0.103 18701 7151 1 9 . 1 1 51 51 ALA C C 51 179.836 179.836 179.714 0.122 18701 7152 1 9 . 1 1 51 51 ALA CA C 51 55.009 55.009 55.095 -0.086 18701 7153 1 9 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.604 1.426 18701 7154 1 9 . 1 1 51 51 ALA H H 51 8.910 8.910 7.975 0.935 18701 7155 1 9 . 1 1 52 52 GLU N N 52 117.688 117.688 118.633 -0.945 18701 7156 1 9 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.123 -0.097 18701 7157 1 9 . 1 1 52 52 GLU C C 52 177.970 177.970 178.799 -0.829 18701 7158 1 9 . 1 1 52 52 GLU CA C 52 59.241 59.241 58.383 0.858 18701 7159 1 9 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.774 0.001 18701 7160 1 9 . 1 1 52 52 GLU H H 52 7.708 7.708 7.673 0.035 18701 7161 1 9 . 1 1 53 53 PHE N N 53 120.303 120.303 122.498 -2.195 18701 7162 1 9 . 1 1 53 53 PHE HA H 53 2.974 2.974 4.006 -1.032 18701 7163 1 9 . 1 1 53 53 PHE C C 53 175.582 175.582 177.091 -1.509 18701 7164 1 9 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.824 -0.932 18701 7165 1 9 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.768 -2.074 18701 7166 1 9 . 1 1 53 53 PHE H H 53 6.778 6.778 8.399 -1.621 18701 7167 1 9 . 1 1 54 54 VAL N N 54 117.631 117.631 118.145 -0.514 18701 7168 1 9 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.055 -0.704 18701 7169 1 9 . 1 1 54 54 VAL C C 54 177.101 177.101 177.889 -0.788 18701 7170 1 9 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.428 0.465 18701 7171 1 9 . 1 1 54 54 VAL CB C 54 31.484 31.484 31.409 0.075 18701 7172 1 9 . 1 1 54 54 VAL H H 54 7.104 7.104 8.387 -1.283 18701 7173 1 9 . 1 1 55 55 GLU N N 55 118.253 118.253 118.856 -0.603 18701 7174 1 9 . 1 1 55 55 GLU HA H 55 3.740 3.740 4.013 -0.273 18701 7175 1 9 . 1 1 55 55 GLU C C 55 178.859 178.859 179.051 -0.192 18701 7176 1 9 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.229 -0.313 18701 7177 1 9 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.266 0.021 18701 7178 1 9 . 1 1 55 55 GLU H H 55 7.592 7.592 7.618 -0.026 18701 7179 1 9 . 1 1 56 56 GLU N N 56 118.908 118.908 119.339 -0.431 18701 7180 1 9 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.057 -0.210 18701 7181 1 9 . 1 1 56 56 GLU C C 56 179.272 179.272 178.159 1.113 18701 7182 1 9 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.875 -0.041 18701 7183 1 9 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.425 -0.790 18701 7184 1 9 . 1 1 56 56 GLU H H 56 8.002 8.002 8.285 -0.283 18701 7185 1 9 . 1 1 57 57 MET N N 57 117.937 117.937 117.285 0.652 18701 7186 1 9 . 1 1 57 57 MET HA H 57 3.799 3.799 4.295 -0.496 18701 7187 1 9 . 1 1 57 57 MET C C 57 177.514 177.514 177.401 0.113 18701 7188 1 9 . 1 1 57 57 MET CA C 57 57.044 57.044 57.283 -0.240 18701 7189 1 9 . 1 1 57 57 MET CB C 57 30.263 30.263 33.050 -2.787 18701 7190 1 9 . 1 1 57 57 MET H H 57 7.838 7.838 7.415 0.423 18701 7191 1 9 . 1 1 58 58 LYS N N 58 119.343 119.343 120.910 -1.567 18701 7192 1 9 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.787 -0.168 18701 7193 1 9 . 1 1 58 58 LYS C C 58 178.339 178.339 178.313 0.026 18701 7194 1 9 . 1 1 58 58 LYS CA C 58 60.218 60.218 60.077 0.141 18701 7195 1 9 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.250 0.537 18701 7196 1 9 . 1 1 58 58 LYS H H 58 8.341 8.341 8.251 0.090 18701 7197 1 9 . 1 1 59 59 LYS N N 59 114.611 114.611 115.353 -0.742 18701 7198 1 9 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.308 -0.414 18701 7199 1 9 . 1 1 59 59 LYS C C 59 178.404 178.404 178.112 0.292 18701 7200 1 9 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.434 0.482 18701 7201 1 9 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.849 0.938 18701 7202 1 9 . 1 1 59 59 LYS H H 59 7.126 7.126 7.703 -0.577 18701 7203 1 9 . 1 1 60 60 LEU N N 60 117.334 117.334 119.545 -2.211 18701 7204 1 9 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.268 -0.134 18701 7205 1 9 . 1 1 60 60 LEU C C 60 179.619 179.619 178.090 1.529 18701 7206 1 9 . 1 1 60 60 LEU CA C 60 56.718 56.718 57.034 -0.316 18701 7207 1 9 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.471 0.653 18701 7208 1 9 . 1 1 60 60 LEU H H 60 7.343 7.343 7.412 -0.069 18701 7209 1 9 . 1 1 61 61 VAL N N 61 108.515 108.515 118.642 -10.127 18701 7210 1 9 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.886 0.558 18701 7211 1 9 . 1 1 61 61 VAL C C 61 177.753 177.753 178.423 -0.670 18701 7212 1 9 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.833 -4.720 18701 7213 1 9 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.924 0.049 18701 7214 1 9 . 1 1 61 61 VAL H H 61 7.730 7.730 7.672 0.058 18701 7215 1 9 . 1 1 62 62 GLU N N 62 123.907 123.907 119.603 4.304 18701 7216 1 9 . 1 1 62 62 GLU HA H 62 4.026 4.026 4.059 -0.033 18701 7217 1 9 . 1 1 62 62 GLU C C 62 176.602 176.602 177.497 -0.895 18701 7218 1 9 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.492 0.749 18701 7219 1 9 . 1 1 62 62 GLU CB C 62 29.205 29.205 29.107 0.098 18701 7220 1 9 . 1 1 62 62 GLU H H 62 7.583 7.583 8.355 -0.772 18701 7221 1 9 . 1 1 63 63 ASP N N 63 118.203 118.203 119.480 -1.277 18701 7222 1 9 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.645 -0.271 18701 7223 1 9 . 1 1 63 63 ASP C C 63 177.557 177.557 175.730 1.827 18701 7224 1 9 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.314 0.613 18701 7225 1 9 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.269 -1.238 18701 7226 1 9 . 1 1 63 63 ASP H H 63 8.584 8.584 7.519 1.065 18701 7227 1 9 . 1 1 64 64 GLY N N 64 107.534 107.534 106.619 0.915 18701 7228 1 9 . 1 1 64 64 GLY C C 64 173.281 173.281 172.889 0.392 18701 7229 1 9 . 1 1 64 64 GLY CA C 64 46.317 46.317 44.652 1.665 18701 7230 1 9 . 1 1 64 64 GLY H H 64 8.036 8.036 7.198 0.838 18701 7231 1 9 . 1 1 65 65 LYS N N 65 115.632 115.632 119.931 -4.299 18701 7232 1 9 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.201 0.005 18701 7233 1 9 . 1 1 65 65 LYS C C 65 176.233 176.233 175.408 0.825 18701 7234 1 9 . 1 1 65 65 LYS CA C 65 56.473 56.473 56.253 0.220 18701 7235 1 9 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.830 2.221 18701 7236 1 9 . 1 1 65 65 LYS H H 65 8.197 8.197 8.461 -0.264 18701 7237 1 9 . 1 1 66 66 GLU N N 66 118.786 118.786 123.217 -4.431 18701 7238 1 9 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.498 -0.244 18701 7239 1 9 . 1 1 66 66 GLU C C 66 174.063 174.063 175.017 -0.954 18701 7240 1 9 . 1 1 66 66 GLU CA C 66 55.823 55.823 55.020 0.803 18701 7241 1 9 . 1 1 66 66 GLU CB C 66 33.031 33.031 31.759 1.272 18701 7242 1 9 . 1 1 66 66 GLU H H 66 7.775 7.775 8.249 -0.474 18701 7243 1 9 . 1 1 67 67 CYS N N 67 114.372 114.372 122.819 -8.447 18701 7244 1 9 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.887 -0.681 18701 7245 1 9 . 1 1 67 67 CYS C C 67 175.517 175.517 173.226 2.291 18701 7246 1 9 . 1 1 67 67 CYS CA C 67 56.431 56.431 56.650 -0.219 18701 7247 1 9 . 1 1 67 67 CYS CB C 67 29.465 29.465 30.379 -0.914 18701 7248 1 9 . 1 1 67 67 CYS H H 67 7.586 7.586 8.771 -1.185 18701 7249 1 9 . 1 1 68 68 ARG N N 68 117.544 117.544 120.297 -2.753 18701 7250 1 9 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.362 0.044 18701 7251 1 9 . 1 1 68 68 ARG C C 68 176.624 176.624 173.911 2.713 18701 7252 1 9 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.385 0.949 18701 7253 1 9 . 1 1 68 68 ARG CB C 68 32.376 32.376 32.855 -0.478 18701 7254 1 9 . 1 1 68 68 ARG H H 68 7.682 7.682 8.367 -0.685 18701 7255 1 9 . 1 1 69 69 TYR N N 69 115.996 115.996 121.070 -5.074 18701 7256 1 9 . 1 1 69 69 TYR HA H 69 5.819 5.819 4.748 1.071 18701 7257 1 9 . 1 1 69 69 TYR C C 69 175.300 175.300 174.064 1.236 18701 7258 1 9 . 1 1 69 69 TYR CA C 69 54.379 54.379 54.993 -0.614 18701 7259 1 9 . 1 1 69 69 TYR CB C 69 41.998 41.998 39.748 2.250 18701 7260 1 9 . 1 1 69 69 TYR H H 69 8.139 8.139 7.808 0.331 18701 7261 1 9 . 1 1 70 70 ALA N N 70 121.451 121.451 125.124 -3.673 18701 7262 1 9 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.411 0.325 18701 7263 1 9 . 1 1 70 70 ALA C C 70 174.367 174.367 174.987 -0.620 18701 7264 1 9 . 1 1 70 70 ALA CA C 70 52.458 52.458 49.806 2.652 18701 7265 1 9 . 1 1 70 70 ALA CB C 70 24.158 24.158 22.839 1.319 18701 7266 1 9 . 1 1 70 70 ALA H H 70 9.334 9.334 8.598 0.736 18701 7267 1 9 . 1 1 71 71 ALA N N 71 121.815 121.815 126.617 -4.802 18701 7268 1 9 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.857 0.011 18701 7269 1 9 . 1 1 71 71 ALA C C 71 175.495 175.495 175.406 0.089 18701 7270 1 9 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.207 0.884 18701 7271 1 9 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.364 -0.810 18701 7272 1 9 . 1 1 71 71 ALA H H 71 9.059 9.059 9.335 -0.277 18701 7273 1 9 . 1 1 72 72 VAL N N 72 120.963 120.963 124.037 -3.074 18701 7274 1 9 . 1 1 72 72 VAL HA H 72 4.505 4.505 5.098 -0.593 18701 7275 1 9 . 1 1 72 72 VAL C C 72 173.194 173.194 173.417 -0.223 18701 7276 1 9 . 1 1 72 72 VAL CA C 72 61.276 61.276 59.740 1.536 18701 7277 1 9 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.414 -0.348 18701 7278 1 9 . 1 1 72 72 VAL H H 72 8.665 8.665 8.831 -0.166 18701 7279 1 9 . 1 1 73 73 ASP N N 73 128.360 128.360 129.110 -0.750 18701 7280 1 9 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.254 -0.283 18701 7281 1 9 . 1 1 73 73 ASP C C 73 175.256 175.256 174.969 0.287 18701 7282 1 9 . 1 1 73 73 ASP CA C 73 53.891 53.891 52.507 1.384 18701 7283 1 9 . 1 1 73 73 ASP CB C 73 41.659 41.659 43.455 -1.796 18701 7284 1 9 . 1 1 73 73 ASP H H 73 8.896 8.896 8.950 -0.054 18701 7285 1 9 . 1 1 74 74 VAL N N 74 127.568 127.568 120.861 6.707 18701 7286 1 9 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.826 -0.632 18701 7287 1 9 . 1 1 74 74 VAL C C 74 173.846 173.846 174.294 -0.448 18701 7288 1 9 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.628 2.218 18701 7289 1 9 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.859 -2.177 18701 7290 1 9 . 1 1 74 74 VAL H H 74 9.232 9.232 7.671 1.561 18701 7291 1 9 . 1 1 75 75 GLU N N 75 126.833 126.833 124.221 2.612 18701 7292 1 9 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.548 0.291 18701 7293 1 9 . 1 1 75 75 GLU C C 75 175.799 175.799 175.704 0.095 18701 7294 1 9 . 1 1 75 75 GLU CA C 75 55.578 55.578 55.059 0.520 18701 7295 1 9 . 1 1 75 75 GLU CB C 75 31.647 31.647 27.933 3.714 18701 7296 1 9 . 1 1 75 75 GLU H H 75 8.560 8.560 8.421 0.139 18701 7297 1 9 . 1 1 76 76 VAL N N 76 123.421 123.421 125.955 -2.534 18701 7298 1 9 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.213 0.219 18701 7299 1 9 . 1 1 76 76 VAL C C 76 174.562 174.562 175.965 -1.403 18701 7300 1 9 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.792 -1.330 18701 7301 1 9 . 1 1 76 76 VAL CB C 76 34.822 34.822 32.858 1.964 18701 7302 1 9 . 1 1 76 76 VAL H H 76 9.032 9.032 8.727 0.305 18701 7303 1 9 . 1 1 77 77 THR N N 77 120.606 120.606 119.340 1.266 18701 7304 1 9 . 1 1 77 77 THR HA H 77 4.876 4.876 4.299 0.577 18701 7305 1 9 . 1 1 77 77 THR C C 77 173.998 173.998 173.827 0.171 18701 7306 1 9 . 1 1 77 77 THR CA C 77 62.172 62.172 61.814 0.358 18701 7307 1 9 . 1 1 77 77 THR CB C 77 70.067 70.067 67.682 2.385 18701 7308 1 9 . 1 1 77 77 THR H H 77 8.402 8.402 8.377 0.025 18701 7309 1 9 . 1 1 78 78 VAL N N 78 122.942 122.942 125.405 -2.463 18701 7310 1 9 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.493 -0.109 18701 7311 1 9 . 1 1 78 78 VAL C C 78 174.605 174.605 173.928 0.677 18701 7312 1 9 . 1 1 78 78 VAL CA C 78 60.218 60.218 59.563 0.655 18701 7313 1 9 . 1 1 78 78 VAL CB C 78 34.740 34.740 35.179 -0.439 18701 7314 1 9 . 1 1 78 78 VAL H H 78 8.781 8.781 8.524 0.257 18701 7315 1 9 . 1 1 79 79 GLN N N 79 123.562 123.562 120.877 2.685 18701 7316 1 9 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.486 -0.106 18701 7317 1 9 . 1 1 79 79 GLN C C 79 175.647 175.647 174.881 0.766 18701 7318 1 9 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.584 -0.006 18701 7319 1 9 . 1 1 79 79 GLN CB C 79 29.531 29.531 28.999 0.532 18701 7320 1 9 . 1 1 79 79 GLN H H 79 8.527 8.527 8.665 -0.138 18701 7321 1 9 . 1 1 80 80 ARG N N 80 125.030 125.030 124.194 0.836 18701 7322 1 9 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.576 -0.299 18701 7323 1 9 . 1 1 80 80 ARG C C 80 175.864 175.864 176.538 -0.674 18701 7324 1 9 . 1 1 80 80 ARG CA C 80 55.904 55.904 56.169 -0.265 18701 7325 1 9 . 1 1 80 80 ARG CB C 80 31.322 31.322 31.414 -0.092 18701 7326 1 9 . 1 1 80 80 ARG H H 80 8.516 8.516 8.564 -0.048 18701 7327 1 9 . 1 1 81 81 GLN N N 81 122.473 122.473 120.244 2.229 18701 7328 1 9 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.343 -0.138 18701 7329 1 9 . 1 1 81 81 GLN C C 81 176.776 176.776 177.533 -0.757 18701 7330 1 9 . 1 1 81 81 GLN CA C 81 56.625 56.625 55.639 0.987 18701 7331 1 9 . 1 1 81 81 GLN CB C 81 28.880 28.880 29.177 -0.297 18701 7332 1 9 . 1 1 81 81 GLN H H 81 8.609 8.609 8.201 0.408 18701 7333 1 9 . 1 1 82 82 GLY N N 82 112.685 112.685 109.099 3.586 18701 7334 1 9 . 1 1 82 82 GLY C C 82 173.498 173.498 173.283 0.215 18701 7335 1 9 . 1 1 82 82 GLY CA C 82 45.729 45.729 45.377 0.352 18701 7336 1 9 . 1 1 82 82 GLY H H 82 8.766 8.766 8.642 0.124 18701 7337 1 9 . 1 1 83 83 ALA N N 83 123.093 123.093 124.627 -1.534 18701 7338 1 9 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.465 -0.056 18701 7339 1 9 . 1 1 83 83 ALA C C 83 176.971 176.971 176.536 0.435 18701 7340 1 9 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.351 0.814 18701 7341 1 9 . 1 1 83 83 ALA CB C 83 20.251 20.251 19.945 0.305 18701 7342 1 9 . 1 1 83 83 ALA H H 83 7.965 7.965 8.062 -0.097 18701 7343 1 9 . 1 1 84 84 GLU N N 84 118.929 118.929 121.287 -2.358 18701 7344 1 9 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.136 0.118 18701 7345 1 9 . 1 1 84 84 GLU C C 84 176.928 176.928 176.622 0.306 18701 7346 1 9 . 1 1 84 84 GLU CA C 84 57.044 57.044 57.081 -0.037 18701 7347 1 9 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.660 0.766 18701 7348 1 9 . 1 1 84 84 GLU H H 84 8.390 8.390 8.071 0.319 18701 7349 1 9 . 1 1 85 85 GLY N N 85 109.042 109.042 115.285 -6.243 18701 7350 1 9 . 1 1 85 85 GLY C C 85 173.607 173.607 173.220 0.387 18701 7351 1 9 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.099 -0.102 18701 7352 1 9 . 1 1 85 85 GLY H H 85 8.220 8.220 8.699 -0.479 18701 7353 1 9 . 1 1 86 86 THR N N 86 112.014 112.014 118.458 -6.444 18701 7354 1 9 . 1 1 86 86 THR HA H 86 4.792 4.792 4.903 -0.111 18701 7355 1 9 . 1 1 86 86 THR C C 86 174.280 174.280 173.695 0.585 18701 7356 1 9 . 1 1 86 86 THR CA C 86 61.113 61.113 61.787 -0.674 18701 7357 1 9 . 1 1 86 86 THR CB C 86 71.532 71.532 70.821 0.711 18701 7358 1 9 . 1 1 86 86 THR H H 86 8.172 8.172 8.140 0.032 18701 7359 1 9 . 1 1 87 87 SER N N 87 117.161 117.161 124.492 -7.331 18701 7360 1 9 . 1 1 87 87 SER HA H 87 4.744 4.744 4.636 0.108 18701 7361 1 9 . 1 1 87 87 SER C C 87 172.956 172.956 174.047 -1.091 18701 7362 1 9 . 1 1 87 87 SER CA C 87 57.532 57.532 57.452 0.080 18701 7363 1 9 . 1 1 87 87 SER CB C 87 65.428 65.428 63.248 2.180 18701 7364 1 9 . 1 1 87 87 SER H H 87 8.782 8.782 9.258 -0.476 18701 7365 1 9 . 1 1 88 88 THR N N 88 116.763 116.763 119.382 -2.619 18701 7366 1 9 . 1 1 88 88 THR HA H 88 5.151 5.151 5.041 0.110 18701 7367 1 9 . 1 1 88 88 THR C C 88 173.650 173.650 174.389 -0.739 18701 7368 1 9 . 1 1 88 88 THR CA C 88 61.439 61.439 61.154 0.285 18701 7369 1 9 . 1 1 88 88 THR CB C 88 71.125 71.125 68.958 2.167 18701 7370 1 9 . 1 1 88 88 THR H H 88 8.404 8.404 8.333 0.071 18701 7371 1 9 . 1 1 89 89 LEU N N 89 126.308 126.308 127.956 -1.648 18701 7372 1 9 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.634 -0.022 18701 7373 1 9 . 1 1 89 89 LEU C C 89 174.171 174.171 175.655 -1.484 18701 7374 1 9 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.544 0.640 18701 7375 1 9 . 1 1 89 89 LEU CB C 89 45.078 45.078 44.524 0.554 18701 7376 1 9 . 1 1 89 89 LEU H H 89 9.039 9.039 8.333 0.706 18701 7377 1 9 . 1 1 90 90 ASN N N 90 120.749 120.749 121.733 -0.984 18701 7378 1 9 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.165 0.476 18701 7379 1 9 . 1 1 90 90 ASN C C 90 174.757 174.757 174.858 -0.101 18701 7380 1 9 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.513 0.869 18701 7381 1 9 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.339 1.425 18701 7382 1 9 . 1 1 90 90 ASN H H 90 8.347 8.347 8.679 -0.332 18701 7383 1 9 . 1 1 91 91 LYS N N 91 123.843 123.843 122.488 1.355 18701 7384 1 9 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.584 0.112 18701 7385 1 9 . 1 1 91 91 LYS C C 91 173.629 173.629 174.852 -1.223 18701 7386 1 9 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.495 -0.181 18701 7387 1 9 . 1 1 91 91 LYS CB C 91 36.531 36.531 34.791 1.740 18701 7388 1 9 . 1 1 91 91 LYS H H 91 9.087 9.087 8.516 0.571 18701 7389 1 9 . 1 1 92 92 VAL N N 92 123.150 123.150 126.590 -3.440 18701 7390 1 9 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.376 0.727 18701 7391 1 9 . 1 1 92 92 VAL C C 92 175.517 175.517 175.025 0.492 18701 7392 1 9 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.966 -0.283 18701 7393 1 9 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.421 -0.448 18701 7394 1 9 . 1 1 92 92 VAL H H 92 8.479 8.479 8.584 -0.105 18701 7395 1 9 . 1 1 93 93 ILE N N 93 120.433 120.433 129.940 -9.507 18701 7396 1 9 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.809 0.545 18701 7397 1 9 . 1 1 93 93 ILE C C 93 174.215 174.215 173.865 0.350 18701 7398 1 9 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.785 -0.523 18701 7399 1 9 . 1 1 93 93 ILE CB C 93 41.008 41.008 40.349 0.659 18701 7400 1 9 . 1 1 93 93 ILE H H 93 9.155 9.155 8.675 0.480 18701 7401 1 9 . 1 1 94 94 PHE N N 94 122.349 122.349 129.892 -7.543 18701 7402 1 9 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.201 0.380 18701 7403 1 9 . 1 1 94 94 PHE C C 94 173.042 173.042 173.470 -0.428 18701 7404 1 9 . 1 1 94 94 PHE CA C 94 56.397 56.397 54.753 1.644 18701 7405 1 9 . 1 1 94 94 PHE CB C 94 42.392 42.392 40.360 2.032 18701 7406 1 9 . 1 1 94 94 PHE H H 94 9.002 9.002 8.936 0.066 18701 7407 1 9 . 1 1 95 95 VAL N N 95 126.937 126.937 128.904 -1.967 18701 7408 1 9 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.475 0.231 18701 7409 1 9 . 1 1 95 95 VAL C C 95 174.128 174.128 174.521 -0.393 18701 7410 1 9 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.696 -0.188 18701 7411 1 9 . 1 1 95 95 VAL CB C 95 35.554 35.554 32.586 2.968 18701 7412 1 9 . 1 1 95 95 VAL H H 95 8.978 8.978 9.181 -0.203 18701 7413 1 9 . 1 1 96 96 GLN N N 96 124.946 124.946 127.441 -2.495 18701 7414 1 9 . 1 1 96 96 GLN HA H 96 4.732 4.732 3.530 1.202 18701 7415 1 9 . 1 1 96 96 GLN C C 96 172.912 172.912 174.321 -1.409 18701 7416 1 9 . 1 1 96 96 GLN CA C 96 55.421 55.421 53.985 1.436 18701 7417 1 9 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.029 2.374 18701 7418 1 9 . 1 1 96 96 GLN H H 96 8.516 8.516 8.391 0.125 18701 7419 1 9 . 1 1 97 97 TYR N N 97 129.236 129.236 127.800 1.436 18701 7420 1 9 . 1 1 97 97 TYR HA H 97 5.019 5.019 4.683 0.336 18701 7421 1 9 . 1 1 97 97 TYR C C 97 174.844 174.844 174.673 0.171 18701 7422 1 9 . 1 1 97 97 TYR CA C 97 57.244 57.244 57.907 -0.663 18701 7423 1 9 . 1 1 97 97 TYR CB C 97 41.252 41.252 38.131 3.121 18701 7424 1 9 . 1 1 97 97 TYR H H 97 9.030 9.030 8.565 0.465 18701 7425 1 9 . 1 1 98 98 CYS N N 98 127.084 127.084 127.393 -0.309 18701 7426 1 9 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.759 -0.027 18701 7427 1 9 . 1 1 98 98 CYS CA C 98 54.602 54.602 55.408 -0.806 18701 7428 1 9 . 1 1 98 98 CYS CB C 98 29.042 29.042 27.918 1.124 18701 7429 1 9 . 1 1 98 98 CYS H H 98 8.227 8.227 8.840 -0.613 18701 7430 1 9 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.375 0.368 18701 7431 1 9 . 1 1 99 99 PRO C C 99 177.492 177.492 177.156 0.336 18701 7432 1 9 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.359 0.220 18701 7433 1 9 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.347 0.114 18701 7434 1 9 . 1 1 100 100 ASP N N 100 120.420 120.420 120.869 -0.449 18701 7435 1 9 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.361 -0.143 18701 7436 1 9 . 1 1 100 100 ASP C C 100 176.993 176.993 175.927 1.066 18701 7437 1 9 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.167 1.202 18701 7438 1 9 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.701 -0.019 18701 7439 1 9 . 1 1 100 100 ASP H H 100 8.584 8.584 8.661 -0.077 18701 7440 1 9 . 1 1 101 101 ASN N N 101 112.580 112.580 116.573 -3.993 18701 7441 1 9 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.703 0.088 18701 7442 1 9 . 1 1 101 101 ASN C C 101 175.256 175.256 174.089 1.167 18701 7443 1 9 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.809 -0.025 18701 7444 1 9 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.211 -0.133 18701 7445 1 9 . 1 1 101 101 ASN H H 101 8.055 8.055 7.979 0.076 18701 7446 1 9 . 1 1 102 102 ALA N N 102 123.140 123.140 123.590 -0.450 18701 7447 1 9 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.677 -0.136 18701 7448 1 9 . 1 1 102 102 ALA CA C 102 51.547 51.547 49.330 2.217 18701 7449 1 9 . 1 1 102 102 ALA CB C 102 17.402 17.402 19.040 -1.638 18701 7450 1 9 . 1 1 102 102 ALA H H 102 7.207 7.207 7.335 -0.128 18701 7451 1 9 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.485 -0.053 18701 7452 1 9 . 1 1 103 103 PRO C C 103 178.208 178.208 177.610 0.598 18701 7453 1 9 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.603 0.545 18701 7454 1 9 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.642 -0.262 18701 7455 1 9 . 1 1 104 104 VAL N N 104 125.953 125.953 123.089 2.864 18701 7456 1 9 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.639 -0.043 18701 7457 1 9 . 1 1 104 104 VAL C C 104 177.210 177.210 178.157 -0.947 18701 7458 1 9 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.918 -0.025 18701 7459 1 9 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.731 0.242 18701 7460 1 9 . 1 1 104 104 VAL H H 104 8.747 8.747 8.548 0.199 18701 7461 1 9 . 1 1 105 105 ARG N N 105 118.556 118.556 119.902 -1.346 18701 7462 1 9 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.123 -0.038 18701 7463 1 9 . 1 1 105 105 ARG C C 105 179.185 179.185 178.495 0.690 18701 7464 1 9 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.161 0.487 18701 7465 1 9 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.116 0.578 18701 7466 1 9 . 1 1 105 105 ARG H H 105 8.866 8.866 8.450 0.416 18701 7467 1 9 . 1 1 106 106 ARG N N 106 118.188 118.188 119.348 -1.160 18701 7468 1 9 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.058 0.160 18701 7469 1 9 . 1 1 106 106 ARG C C 106 177.991 177.991 178.377 -0.386 18701 7470 1 9 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.589 -1.010 18701 7471 1 9 . 1 1 106 106 ARG CB C 106 30.101 30.101 29.993 0.108 18701 7472 1 9 . 1 1 106 106 ARG H H 106 7.140 7.140 8.452 -1.312 18701 7473 1 9 . 1 1 107 107 ARG N N 107 119.484 119.484 117.831 1.653 18701 7474 1 9 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.275 -0.260 18701 7475 1 9 . 1 1 107 107 ARG C C 107 179.424 179.424 178.725 0.699 18701 7476 1 9 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.281 2.344 18701 7477 1 9 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.233 1.030 18701 7478 1 9 . 1 1 107 107 ARG H H 107 8.246 8.246 8.128 0.118 18701 7479 1 9 . 1 1 108 108 MET N N 108 117.193 117.193 121.281 -4.088 18701 7480 1 9 . 1 1 108 108 MET HA H 108 4.218 4.218 4.260 -0.042 18701 7481 1 9 . 1 1 108 108 MET C C 108 178.968 178.968 177.872 1.096 18701 7482 1 9 . 1 1 108 108 MET CA C 108 58.671 58.671 57.512 1.159 18701 7483 1 9 . 1 1 108 108 MET CB C 108 32.380 32.380 31.996 0.384 18701 7484 1 9 . 1 1 108 108 MET H H 108 8.599 8.599 8.051 0.548 18701 7485 1 9 . 1 1 109 109 LEU N N 109 123.421 123.421 119.730 3.691 18701 7486 1 9 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.785 0.409 18701 7487 1 9 . 1 1 109 109 LEU C C 109 180.444 180.444 179.381 1.063 18701 7488 1 9 . 1 1 109 109 LEU CA C 109 58.183 58.183 58.024 0.159 18701 7489 1 9 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.411 0.981 18701 7490 1 9 . 1 1 109 109 LEU H H 109 7.924 7.924 7.815 0.109 18701 7491 1 9 . 1 1 110 110 TYR N N 110 120.798 120.798 117.078 3.720 18701 7492 1 9 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.041 0.152 18701 7493 1 9 . 1 1 110 110 TYR C C 110 180.574 180.574 177.909 2.665 18701 7494 1 9 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.633 -0.031 18701 7495 1 9 . 1 1 110 110 TYR CB C 110 37.833 37.833 37.684 0.149 18701 7496 1 9 . 1 1 110 110 TYR H H 110 8.761 8.761 7.501 1.260 18701 7497 1 9 . 1 1 111 111 ALA N N 111 123.703 123.703 121.156 2.547 18701 7498 1 9 . 1 1 111 111 ALA HA H 111 4.362 4.362 4.202 0.160 18701 7499 1 9 . 1 1 111 111 ALA C C 111 180.314 180.314 179.703 0.611 18701 7500 1 9 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.823 0.837 18701 7501 1 9 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.357 0.104 18701 7502 1 9 . 1 1 111 111 ALA H H 111 8.668 8.668 8.514 0.154 18701 7503 1 9 . 1 1 112 112 SER N N 112 112.404 112.404 112.130 0.274 18701 7504 1 9 . 1 1 112 112 SER HA H 112 4.360 4.360 4.412 -0.052 18701 7505 1 9 . 1 1 112 112 SER C C 112 176.949 176.949 175.485 1.464 18701 7506 1 9 . 1 1 112 112 SER CA C 112 60.869 60.869 60.703 0.166 18701 7507 1 9 . 1 1 112 112 SER CB C 112 63.474 63.474 63.342 0.132 18701 7508 1 9 . 1 1 112 112 SER H H 112 8.532 8.532 8.048 0.484 18701 7509 1 9 . 1 1 113 113 SER N N 113 115.828 115.828 117.603 -1.775 18701 7510 1 9 . 1 1 113 113 SER HA H 113 4.552 4.552 4.417 0.135 18701 7511 1 9 . 1 1 113 113 SER C C 113 173.390 173.390 175.896 -2.506 18701 7512 1 9 . 1 1 113 113 SER CA C 113 60.218 60.218 60.003 0.215 18701 7513 1 9 . 1 1 113 113 SER CB C 113 63.393 63.393 62.261 1.133 18701 7514 1 9 . 1 1 113 113 SER H H 113 7.607 7.607 7.353 0.254 18701 7515 1 9 . 1 1 114 114 VAL N N 114 119.484 119.484 122.697 -3.213 18701 7516 1 9 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.900 -0.543 18701 7517 1 9 . 1 1 114 114 VAL C C 114 176.016 176.016 177.731 -1.715 18701 7518 1 9 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.812 -2.198 18701 7519 1 9 . 1 1 114 114 VAL CB C 114 31.891 31.891 30.971 0.920 18701 7520 1 9 . 1 1 114 114 VAL H H 114 6.999 6.999 7.903 -0.904 18701 7521 1 9 . 1 1 115 115 ARG N N 115 121.686 121.686 119.477 2.209 18701 7522 1 9 . 1 1 115 115 ARG HA H 115 3.700 3.700 4.068 -0.368 18701 7523 1 9 . 1 1 115 115 ARG C C 115 178.360 178.360 178.085 0.275 18701 7524 1 9 . 1 1 115 115 ARG CA C 115 59.892 59.892 59.248 0.644 18701 7525 1 9 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.727 -0.522 18701 7526 1 9 . 1 1 115 115 ARG H H 115 7.740 7.740 8.281 -0.541 18701 7527 1 9 . 1 1 116 116 ALA N N 116 121.346 121.346 121.600 -0.254 18701 7528 1 9 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.160 -0.121 18701 7529 1 9 . 1 1 116 116 ALA C C 116 180.335 180.335 179.357 0.978 18701 7530 1 9 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.719 0.045 18701 7531 1 9 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.938 -1.047 18701 7532 1 9 . 1 1 116 116 ALA H H 116 7.737 7.737 7.549 0.188 18701 7533 1 9 . 1 1 117 117 LEU N N 117 119.203 119.203 117.361 1.842 18701 7534 1 9 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.952 -0.297 18701 7535 1 9 . 1 1 117 117 LEU C C 117 177.449 177.449 178.778 -1.329 18701 7536 1 9 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.703 0.154 18701 7537 1 9 . 1 1 117 117 LEU CB C 117 41.578 41.578 41.107 0.471 18701 7538 1 9 . 1 1 117 117 LEU H H 117 6.785 6.785 8.123 -1.338 18701 7539 1 9 . 1 1 118 118 LYS N N 118 114.804 114.804 119.490 -4.686 18701 7540 1 9 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.935 0.427 18701 7541 1 9 . 1 1 118 118 LYS C C 118 178.686 178.686 177.695 0.991 18701 7542 1 9 . 1 1 118 118 LYS CA C 118 59.974 59.974 58.731 1.242 18701 7543 1 9 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.805 -0.344 18701 7544 1 9 . 1 1 118 118 LYS H H 118 8.132 8.132 7.887 0.245 18701 7545 1 9 . 1 1 119 119 ALA N N 119 119.833 119.833 121.170 -1.337 18701 7546 1 9 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.491 -0.334 18701 7547 1 9 . 1 1 119 119 ALA C C 119 180.183 180.183 180.525 -0.342 18701 7548 1 9 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.538 -0.099 18701 7549 1 9 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.250 0.129 18701 7550 1 9 . 1 1 119 119 ALA H H 119 8.068 8.068 7.721 0.347 18701 7551 1 9 . 1 1 120 120 SER N N 120 112.312 112.312 114.442 -2.130 18701 7552 1 9 . 1 1 120 120 SER HA H 120 4.073 4.073 4.273 -0.200 18701 7553 1 9 . 1 1 120 120 SER C C 120 175.799 175.799 175.489 0.310 18701 7554 1 9 . 1 1 120 120 SER CA C 120 61.602 61.602 60.745 0.857 18701 7555 1 9 . 1 1 120 120 SER CB C 120 63.555 63.555 63.007 0.548 18701 7556 1 9 . 1 1 120 120 SER H H 120 7.713 7.713 8.039 -0.326 18701 7557 1 9 . 1 1 121 121 LEU N N 121 116.812 116.812 119.766 -2.954 18701 7558 1 9 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.204 -0.119 18701 7559 1 9 . 1 1 121 121 LEU C C 121 176.125 176.125 176.229 -0.104 18701 7560 1 9 . 1 1 121 121 LEU CA C 121 55.904 55.904 53.955 1.949 18701 7561 1 9 . 1 1 121 121 LEU CB C 121 41.252 41.252 42.370 -1.118 18701 7562 1 9 . 1 1 121 121 LEU H H 121 7.272 7.272 7.264 0.008 18701 7563 1 9 . 1 1 122 122 GLY N N 122 108.734 108.734 105.977 2.757 18701 7564 1 9 . 1 1 122 122 GLY C C 122 176.754 176.754 174.375 2.379 18701 7565 1 9 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.032 2.244 18701 7566 1 9 . 1 1 122 122 GLY H H 122 7.377 7.377 7.259 0.118 18701 7567 1 9 . 1 1 123 123 LEU N N 123 116.950 116.950 117.953 -1.003 18701 7568 1 9 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.612 -0.467 18701 7569 1 9 . 1 1 123 123 LEU C C 123 178.187 178.187 177.629 0.558 18701 7570 1 9 . 1 1 123 123 LEU CA C 123 53.950 53.950 54.039 -0.089 18701 7571 1 9 . 1 1 123 123 LEU CB C 123 41.903 41.903 41.575 0.328 18701 7572 1 9 . 1 1 123 123 LEU H H 123 8.201 8.201 7.625 0.576 18701 7573 1 9 . 1 1 124 124 GLU N N 124 120.328 120.328 120.632 -0.304 18701 7574 1 9 . 1 1 124 124 GLU HA H 124 3.704 3.704 4.101 -0.397 18701 7575 1 9 . 1 1 124 124 GLU C C 124 176.970 176.970 177.425 -0.455 18701 7576 1 9 . 1 1 124 124 GLU CA C 124 60.462 60.462 58.888 1.574 18701 7577 1 9 . 1 1 124 124 GLU CB C 124 29.205 29.205 29.117 0.087 18701 7578 1 9 . 1 1 124 124 GLU H H 124 9.213 9.213 8.617 0.596 18701 7579 1 9 . 1 1 125 125 SER N N 125 110.938 110.938 114.281 -3.343 18701 7580 1 9 . 1 1 125 125 SER HA H 125 4.456 4.456 4.464 -0.008 18701 7581 1 9 . 1 1 125 125 SER C C 125 174.475 174.475 173.303 1.172 18701 7582 1 9 . 1 1 125 125 SER CA C 125 58.590 58.590 58.352 0.238 18701 7583 1 9 . 1 1 125 125 SER CB C 125 63.555 63.555 63.330 0.225 18701 7584 1 9 . 1 1 125 125 SER H H 125 8.308 8.308 8.453 -0.145 18701 7585 1 9 . 1 1 126 126 LEU N N 126 121.193 121.193 120.361 0.832 18701 7586 1 9 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.565 -0.096 18701 7587 1 9 . 1 1 126 126 LEU C C 126 177.774 177.774 175.527 2.247 18701 7588 1 9 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.451 1.476 18701 7589 1 9 . 1 1 126 126 LEU CB C 126 42.066 42.066 44.135 -2.069 18701 7590 1 9 . 1 1 126 126 LEU H H 126 7.178 7.178 7.072 0.106 18701 7591 1 9 . 1 1 127 127 PHE N N 127 125.109 125.109 118.357 6.752 18701 7592 1 9 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.822 -0.474 18701 7593 1 9 . 1 1 127 127 PHE C C 127 173.542 173.542 174.630 -1.088 18701 7594 1 9 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.245 2.571 18701 7595 1 9 . 1 1 127 127 PHE CB C 127 39.950 39.950 42.261 -2.312 18701 7596 1 9 . 1 1 127 127 PHE H H 127 9.050 9.050 8.695 0.355 18701 7597 1 9 . 1 1 128 128 GLN N N 128 125.953 125.953 122.871 3.082 18701 7598 1 9 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.437 0.073 18701 7599 1 9 . 1 1 128 128 GLN C C 128 174.736 174.736 174.437 0.299 18701 7600 1 9 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.484 -0.952 18701 7601 1 9 . 1 1 128 128 GLN CB C 128 31.973 31.973 32.198 -0.225 18701 7602 1 9 . 1 1 128 128 GLN H H 128 7.618 7.618 8.682 -1.064 18701 7603 1 9 . 1 1 129 129 VAL N N 129 123.703 123.703 125.478 -1.775 18701 7604 1 9 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.385 -0.310 18701 7605 1 9 . 1 1 129 129 VAL C C 129 174.736 174.736 173.960 0.776 18701 7606 1 9 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.756 0.683 18701 7607 1 9 . 1 1 129 129 VAL CB C 129 34.984 34.984 35.291 -0.307 18701 7608 1 9 . 1 1 129 129 VAL H H 129 8.948 8.948 9.123 -0.175 18701 7609 1 9 . 1 1 130 130 GLN N N 130 129.187 129.187 124.838 4.349 18701 7610 1 9 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.828 -0.097 18701 7611 1 9 . 1 1 130 130 GLN C C 130 173.780 173.780 174.595 -0.815 18701 7612 1 9 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.063 0.946 18701 7613 1 9 . 1 1 130 130 GLN CB C 130 28.391 28.391 29.201 -0.810 18701 7614 1 9 . 1 1 130 130 GLN H H 130 8.988 8.988 8.555 0.433 18701 7615 1 9 . 1 1 131 131 ALA N N 131 127.359 127.359 129.692 -2.333 18701 7616 1 9 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.008 -0.192 18701 7617 1 9 . 1 1 131 131 ALA C C 131 174.909 174.909 176.222 -1.313 18701 7618 1 9 . 1 1 131 131 ALA CA C 131 50.765 50.765 49.966 0.799 18701 7619 1 9 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.514 1.237 18701 7620 1 9 . 1 1 131 131 ALA H H 131 8.663 8.663 8.654 0.009 18701 7621 1 9 . 1 1 132 132 SER N N 132 116.281 116.281 116.608 -0.327 18701 7622 1 9 . 1 1 132 132 SER HA H 132 4.085 4.085 4.700 -0.615 18701 7623 1 9 . 1 1 132 132 SER C C 132 172.087 172.087 174.488 -2.401 18701 7624 1 9 . 1 1 132 132 SER CA C 132 57.667 57.667 59.049 -1.382 18701 7625 1 9 . 1 1 132 132 SER CB C 132 65.916 65.916 64.158 1.758 18701 7626 1 9 . 1 1 132 132 SER H H 132 9.369 9.369 8.513 0.856 18701 7627 1 9 . 1 1 133 133 GLU N N 133 119.487 119.487 115.309 4.178 18701 7628 1 9 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.582 0.245 18701 7629 1 9 . 1 1 133 133 GLU C C 133 177.666 177.666 177.857 -0.191 18701 7630 1 9 . 1 1 133 133 GLU CA C 133 54.998 54.998 54.876 0.122 18701 7631 1 9 . 1 1 133 133 GLU CB C 133 33.112 33.112 30.584 2.528 18701 7632 1 9 . 1 1 133 133 GLU H H 133 7.739 7.739 7.783 -0.044 18701 7633 1 9 . 1 1 134 134 MET N N 134 122.237 122.237 115.975 6.262 18701 7634 1 9 . 1 1 134 134 MET HA H 134 4.529 4.529 4.378 0.151 18701 7635 1 9 . 1 1 134 134 MET C C 134 180.856 180.856 177.445 3.411 18701 7636 1 9 . 1 1 134 134 MET CA C 134 56.593 56.593 58.663 -2.070 18701 7637 1 9 . 1 1 134 134 MET CB C 134 29.042 29.042 32.344 -3.302 18701 7638 1 9 . 1 1 134 134 MET H H 134 9.143 9.143 8.832 0.311 18701 7639 1 9 . 1 1 135 135 SER N N 135 116.214 116.214 115.549 0.665 18701 7640 1 9 . 1 1 135 135 SER HA H 135 4.205 4.205 4.285 -0.080 18701 7641 1 9 . 1 1 135 135 SER C C 135 176.993 176.993 177.006 -0.013 18701 7642 1 9 . 1 1 135 135 SER CA C 135 61.216 61.216 61.241 -0.025 18701 7643 1 9 . 1 1 135 135 SER CB C 135 62.253 62.253 63.542 -1.289 18701 7644 1 9 . 1 1 135 135 SER H H 135 8.659 8.659 8.181 0.478 18701 7645 1 9 . 1 1 136 136 ASP N N 136 122.296 122.296 122.101 0.195 18701 7646 1 9 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.486 0.067 18701 7647 1 9 . 1 1 136 136 ASP C C 136 175.647 175.647 178.033 -2.386 18701 7648 1 9 . 1 1 136 136 ASP CA C 136 56.881 56.881 56.118 0.763 18701 7649 1 9 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.010 0.649 18701 7650 1 9 . 1 1 136 136 ASP H H 136 7.861 7.861 9.245 -1.384 18701 7651 1 9 . 1 1 137 137 LEU N N 137 113.859 113.859 118.557 -4.698 18701 7652 1 9 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.281 0.236 18701 7653 1 9 . 1 1 137 137 LEU C C 137 176.038 176.038 176.533 -0.495 18701 7654 1 9 . 1 1 137 137 LEU CA C 137 53.218 53.218 55.588 -2.370 18701 7655 1 9 . 1 1 137 137 LEU CB C 137 41.822 41.822 42.073 -0.251 18701 7656 1 9 . 1 1 137 137 LEU H H 137 7.617 7.617 7.337 0.280 18701 7657 1 9 . 1 1 138 138 ASP N N 138 119.906 119.906 119.238 0.668 18701 7658 1 9 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.527 -0.202 18701 7659 1 9 . 1 1 138 138 ASP C C 138 175.842 175.842 177.243 -1.401 18701 7660 1 9 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.694 1.291 18701 7661 1 9 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.798 0.489 18701 7662 1 9 . 1 1 138 138 ASP H H 138 7.119 7.119 7.406 -0.287 18701 7663 1 9 . 1 1 139 139 GLU N N 139 128.062 128.062 125.491 2.571 18701 7664 1 9 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.839 -0.530 18701 7665 1 9 . 1 1 139 139 GLU C C 139 177.275 177.275 177.695 -0.420 18701 7666 1 9 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.949 1.351 18701 7667 1 9 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.134 1.375 18701 7668 1 9 . 1 1 139 139 GLU H H 139 8.943 8.943 8.812 0.131 18701 7669 1 9 . 1 1 140 140 LYS N N 140 115.993 115.993 118.488 -2.495 18701 7670 1 9 . 1 1 140 140 LYS HA H 140 3.894 3.894 3.952 -0.058 18701 7671 1 9 . 1 1 140 140 LYS C C 140 179.771 179.771 178.862 0.909 18701 7672 1 9 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.933 0.622 18701 7673 1 9 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.762 0.211 18701 7674 1 9 . 1 1 140 140 LYS H H 140 8.243 8.243 8.167 0.076 18701 7675 1 9 . 1 1 141 141 SER N N 141 116.877 116.877 115.087 1.790 18701 7676 1 9 . 1 1 141 141 SER HA H 141 4.184 4.184 4.464 -0.280 18701 7677 1 9 . 1 1 141 141 SER C C 141 175.973 175.973 176.321 -0.348 18701 7678 1 9 . 1 1 141 141 SER CA C 141 61.737 61.737 60.937 0.800 18701 7679 1 9 . 1 1 141 141 SER CB C 141 62.986 62.986 64.206 -1.220 18701 7680 1 9 . 1 1 141 141 SER H H 141 7.856 7.856 7.856 0.000 18701 7681 1 9 . 1 1 142 142 VAL N N 142 121.874 121.874 122.415 -0.541 18701 7682 1 9 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.660 0.116 18701 7683 1 9 . 1 1 142 142 VAL C C 142 178.165 178.165 177.308 0.857 18701 7684 1 9 . 1 1 142 142 VAL CA C 142 66.730 66.730 66.776 -0.046 18701 7685 1 9 . 1 1 142 142 VAL CB C 142 32.380 32.380 30.956 1.424 18701 7686 1 9 . 1 1 142 142 VAL H H 142 8.476 8.476 7.548 0.928 18701 7687 1 9 . 1 1 143 143 LYS N N 143 116.141 116.141 120.394 -4.253 18701 7688 1 9 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.948 -0.329 18701 7689 1 9 . 1 1 143 143 LYS C C 143 178.512 178.512 179.140 -0.628 18701 7690 1 9 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.602 1.674 18701 7691 1 9 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.863 0.273 18701 7692 1 9 . 1 1 143 143 LYS H H 143 8.157 8.157 7.955 0.202 18701 7693 1 9 . 1 1 144 144 SER N N 144 113.862 113.862 114.789 -0.927 18701 7694 1 9 . 1 1 144 144 SER HA H 144 4.158 4.158 4.173 -0.015 18701 7695 1 9 . 1 1 144 144 SER C C 144 177.340 177.340 176.613 0.727 18701 7696 1 9 . 1 1 144 144 SER CA C 144 61.769 61.769 61.471 0.298 18701 7697 1 9 . 1 1 144 144 SER CB C 144 62.986 62.986 63.124 -0.138 18701 7698 1 9 . 1 1 144 144 SER H H 144 7.754 7.754 7.707 0.047 18701 7699 1 9 . 1 1 145 145 ASP N N 145 123.316 123.316 122.349 0.967 18701 7700 1 9 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.473 -0.065 18701 7701 1 9 . 1 1 145 145 ASP C C 145 178.708 178.708 178.335 0.373 18701 7702 1 9 . 1 1 145 145 ASP CA C 145 57.369 57.369 56.790 0.579 18701 7703 1 9 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.136 -0.942 18701 7704 1 9 . 1 1 145 145 ASP H H 145 8.172 8.172 7.976 0.196 18701 7705 1 9 . 1 1 146 146 LEU N N 146 121.453 121.453 119.060 2.393 18701 7706 1 9 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.115 -1.057 18701 7707 1 9 . 1 1 146 146 LEU C C 146 178.447 178.447 178.654 -0.207 18701 7708 1 9 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.912 -0.543 18701 7709 1 9 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.336 1.300 18701 7710 1 9 . 1 1 146 146 LEU H H 146 8.186 8.186 8.343 -0.157 18701 7711 1 9 . 1 1 147 147 MET N N 147 115.468 115.468 118.345 -2.877 18701 7712 1 9 . 1 1 147 147 MET HA H 147 4.314 4.314 4.439 -0.125 18701 7713 1 9 . 1 1 147 147 MET C C 147 177.839 177.839 177.779 0.060 18701 7714 1 9 . 1 1 147 147 MET CA C 147 56.311 56.311 57.917 -1.606 18701 7715 1 9 . 1 1 147 147 MET CB C 147 31.891 31.891 31.380 0.511 18701 7716 1 9 . 1 1 147 147 MET H H 147 7.622 7.622 7.707 -0.085 18701 7717 1 9 . 1 1 148 148 SER N N 148 115.203 115.203 113.526 1.677 18701 7718 1 9 . 1 1 148 148 SER HA H 148 4.338 4.338 4.198 0.140 18701 7719 1 9 . 1 1 148 148 SER C C 148 174.953 174.953 176.499 -1.546 18701 7720 1 9 . 1 1 148 148 SER CA C 148 60.137 60.137 60.448 -0.311 18701 7721 1 9 . 1 1 148 148 SER CB C 148 63.637 63.637 63.299 0.338 18701 7722 1 9 . 1 1 148 148 SER H H 148 7.836 7.836 7.679 0.157 18701 7723 1 9 . 1 1 149 149 ASN N N 149 119.635 119.635 119.768 -0.133 18701 7724 1 9 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.096 0.587 18701 7725 1 9 . 1 1 149 149 ASN C C 149 174.953 174.953 177.291 -2.338 18701 7726 1 9 . 1 1 149 149 ASN CA C 149 54.439 54.439 54.731 -0.292 18701 7727 1 9 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.511 2.195 18701 7728 1 9 . 1 1 149 149 ASN H H 149 8.040 8.040 7.858 0.182 18701 7729 1 9 . 1 1 150 150 GLN N N 150 118.805 118.805 118.303 0.502 18701 7730 1 9 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.899 0.414 18701 7731 1 9 . 1 1 150 150 GLN C C 150 175.365 175.365 175.741 -0.376 18701 7732 1 9 . 1 1 150 150 GLN CA C 150 55.823 55.823 59.107 -3.284 18701 7733 1 9 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.215 0.072 18701 7734 1 9 . 1 1 150 150 GLN H H 150 8.041 8.041 7.840 0.201 18701 7735 1 9 . 1 1 151 151 ARG N N 151 122.082 122.082 113.791 8.291 18701 7736 1 9 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.645 -0.283 18701 7737 1 9 . 1 1 151 151 ARG C C 151 175.213 175.213 173.846 1.367 18701 7738 1 9 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.872 0.460 18701 7739 1 9 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.898 -0.471 18701 7740 1 9 . 1 1 151 151 ARG H H 151 8.221 8.221 7.483 0.738 18701 7741 1 10 . 1 1 2 2 ALA N N 2 126.155 126.155 122.967 3.188 18701 7742 1 10 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.571 -0.229 18701 7743 1 10 . 1 1 2 2 ALA C C 2 177.458 177.458 176.228 1.230 18701 7744 1 10 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.336 0.480 18701 7745 1 10 . 1 1 2 2 ALA CB C 2 19.437 19.437 17.993 1.444 18701 7746 1 10 . 1 1 2 2 ALA H H 2 8.404 8.404 8.214 0.190 18701 7747 1 10 . 1 1 3 3 SER N N 3 115.406 115.406 116.990 -1.584 18701 7748 1 10 . 1 1 3 3 SER HA H 3 4.409 4.409 4.492 -0.083 18701 7749 1 10 . 1 1 3 3 SER C C 3 174.739 174.739 173.999 0.740 18701 7750 1 10 . 1 1 3 3 SER CA C 3 58.346 58.346 58.745 -0.399 18701 7751 1 10 . 1 1 3 3 SER CB C 3 64.207 64.207 64.528 -0.321 18701 7752 1 10 . 1 1 3 3 SER H H 3 8.283 8.283 7.863 0.420 18701 7753 1 10 . 1 1 4 4 GLY N N 4 110.853 110.853 112.765 -1.912 18701 7754 1 10 . 1 1 4 4 GLY C C 4 173.502 173.502 173.993 -0.491 18701 7755 1 10 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.502 0.576 18701 7756 1 10 . 1 1 4 4 GLY H H 4 8.358 8.358 8.676 -0.318 18701 7757 1 10 . 1 1 5 5 VAL N N 5 119.781 119.781 121.991 -2.210 18701 7758 1 10 . 1 1 5 5 VAL HA H 5 3.883 3.883 3.751 0.133 18701 7759 1 10 . 1 1 5 5 VAL C C 5 175.390 175.390 175.947 -0.557 18701 7760 1 10 . 1 1 5 5 VAL CA C 5 62.518 62.518 63.374 -0.856 18701 7761 1 10 . 1 1 5 5 VAL CB C 5 32.705 32.705 31.405 1.300 18701 7762 1 10 . 1 1 5 5 VAL H H 5 7.836 7.836 7.396 0.440 18701 7763 1 10 . 1 1 6 6 LYS N N 6 124.873 124.873 128.012 -3.139 18701 7764 1 10 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.437 0.032 18701 7765 1 10 . 1 1 6 6 LYS C C 6 175.278 175.278 175.632 -0.354 18701 7766 1 10 . 1 1 6 6 LYS CA C 6 54.927 54.927 54.659 0.268 18701 7767 1 10 . 1 1 6 6 LYS CB C 6 34.577 34.577 33.689 0.888 18701 7768 1 10 . 1 1 6 6 LYS H H 6 7.988 7.988 7.928 0.060 18701 7769 1 10 . 1 1 7 7 VAL N N 7 122.213 122.213 117.634 4.579 18701 7770 1 10 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.304 -0.421 18701 7771 1 10 . 1 1 7 7 VAL C C 7 175.756 175.756 175.293 0.463 18701 7772 1 10 . 1 1 7 7 VAL CA C 7 62.334 62.334 59.659 2.675 18701 7773 1 10 . 1 1 7 7 VAL CB C 7 32.054 32.054 32.416 -0.362 18701 7774 1 10 . 1 1 7 7 VAL H H 7 8.757 8.757 8.108 0.649 18701 7775 1 10 . 1 1 8 8 ASP N N 8 131.718 131.718 127.095 4.623 18701 7776 1 10 . 1 1 8 8 ASP HA H 8 4.673 4.673 5.097 -0.424 18701 7777 1 10 . 1 1 8 8 ASP C C 8 176.237 176.237 175.835 0.402 18701 7778 1 10 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.826 3.613 18701 7779 1 10 . 1 1 8 8 ASP CB C 8 44.590 44.590 42.074 2.517 18701 7780 1 10 . 1 1 8 8 ASP H H 8 8.820 8.820 8.556 0.264 18701 7781 1 10 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.153 0.231 18701 7782 1 10 . 1 1 9 9 PRO C C 9 177.535 177.535 178.169 -0.634 18701 7783 1 10 . 1 1 9 9 PRO CA C 9 65.509 65.509 65.402 0.107 18701 7784 1 10 . 1 1 9 9 PRO CB C 9 32.054 32.054 31.939 0.115 18701 7785 1 10 . 1 1 10 10 SER N N 10 113.842 113.842 113.866 -0.024 18701 7786 1 10 . 1 1 10 10 SER HA H 10 4.265 4.265 4.271 -0.006 18701 7787 1 10 . 1 1 10 10 SER C C 10 177.666 177.666 176.738 0.928 18701 7788 1 10 . 1 1 10 10 SER CA C 10 61.541 61.541 61.219 0.322 18701 7789 1 10 . 1 1 10 10 SER CB C 10 62.660 62.660 62.778 -0.118 18701 7790 1 10 . 1 1 10 10 SER H H 10 8.811 8.811 8.575 0.236 18701 7791 1 10 . 1 1 11 11 CYS N N 11 121.231 121.231 118.995 2.236 18701 7792 1 10 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.647 -0.501 18701 7793 1 10 . 1 1 11 11 CYS C C 11 176.211 176.211 176.416 -0.205 18701 7794 1 10 . 1 1 11 11 CYS CA C 11 62.986 62.986 61.474 1.512 18701 7795 1 10 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.748 -0.252 18701 7796 1 10 . 1 1 11 11 CYS H H 11 8.459 8.459 8.601 -0.142 18701 7797 1 10 . 1 1 12 12 LYS N N 12 119.862 119.862 122.172 -2.310 18701 7798 1 10 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.012 -0.066 18701 7799 1 10 . 1 1 12 12 LYS C C 12 177.687 177.687 178.547 -0.860 18701 7800 1 10 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.858 0.384 18701 7801 1 10 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.875 0.586 18701 7802 1 10 . 1 1 12 12 LYS H H 12 7.615 7.615 7.822 -0.207 18701 7803 1 10 . 1 1 13 13 ASN N N 13 116.871 116.871 117.678 -0.807 18701 7804 1 10 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.482 -0.014 18701 7805 1 10 . 1 1 13 13 ASN C C 13 177.297 177.297 176.717 0.580 18701 7806 1 10 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.057 0.580 18701 7807 1 10 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.286 0.199 18701 7808 1 10 . 1 1 13 13 ASN H H 13 7.489 7.489 8.503 -1.014 18701 7809 1 10 . 1 1 14 14 ALA N N 14 119.990 119.990 120.403 -0.413 18701 7810 1 10 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.289 -0.048 18701 7811 1 10 . 1 1 14 14 ALA C C 14 179.077 179.077 178.869 0.208 18701 7812 1 10 . 1 1 14 14 ALA CA C 14 55.578 55.578 53.989 1.589 18701 7813 1 10 . 1 1 14 14 ALA CB C 14 18.461 18.461 19.126 -0.665 18701 7814 1 10 . 1 1 14 14 ALA H H 14 8.054 8.054 7.346 0.708 18701 7815 1 10 . 1 1 15 15 TYR N N 15 118.280 118.280 120.277 -1.997 18701 7816 1 10 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.231 -0.180 18701 7817 1 10 . 1 1 15 15 TYR C C 15 177.123 177.123 177.234 -0.111 18701 7818 1 10 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.411 1.330 18701 7819 1 10 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.703 0.758 18701 7820 1 10 . 1 1 15 15 TYR H H 15 8.380 8.380 8.213 0.167 18701 7821 1 10 . 1 1 16 16 ASP N N 16 121.008 121.008 118.988 2.020 18701 7822 1 10 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.372 -0.070 18701 7823 1 10 . 1 1 16 16 ASP C C 16 179.185 179.185 178.310 0.875 18701 7824 1 10 . 1 1 16 16 ASP CA C 16 58.102 58.102 58.061 0.041 18701 7825 1 10 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.708 -0.351 18701 7826 1 10 . 1 1 16 16 ASP H H 16 8.722 8.722 8.118 0.604 18701 7827 1 10 . 1 1 17 17 LEU N N 17 119.368 119.368 117.697 1.671 18701 7828 1 10 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.092 -0.225 18701 7829 1 10 . 1 1 17 17 LEU C C 17 178.708 178.708 178.993 -0.285 18701 7830 1 10 . 1 1 17 17 LEU CA C 17 58.102 58.102 57.596 0.506 18701 7831 1 10 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.880 0.187 18701 7832 1 10 . 1 1 17 17 LEU H H 17 7.477 7.477 7.501 -0.024 18701 7833 1 10 . 1 1 18 18 LEU N N 18 121.503 121.503 116.458 5.045 18701 7834 1 10 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.393 -0.295 18701 7835 1 10 . 1 1 18 18 LEU C C 18 176.580 176.580 179.206 -2.626 18701 7836 1 10 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.064 2.838 18701 7837 1 10 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.112 2.513 18701 7838 1 10 . 1 1 18 18 LEU H H 18 7.762 7.762 7.518 0.244 18701 7839 1 10 . 1 1 19 19 HIS N N 19 116.605 116.605 119.281 -2.676 18701 7840 1 10 . 1 1 19 19 HIS HA H 19 3.741 3.741 3.905 -0.164 18701 7841 1 10 . 1 1 19 19 HIS C C 19 174.627 174.627 175.162 -0.535 18701 7842 1 10 . 1 1 19 19 HIS CA C 19 58.904 58.904 59.325 -0.421 18701 7843 1 10 . 1 1 19 19 HIS CB C 19 30.019 30.019 29.961 0.058 18701 7844 1 10 . 1 1 19 19 HIS H H 19 8.983 8.983 8.062 0.921 18701 7845 1 10 . 1 1 20 20 ASN N N 20 112.497 112.497 112.792 -0.295 18701 7846 1 10 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.738 -0.173 18701 7847 1 10 . 1 1 20 20 ASN C C 20 176.624 176.624 174.478 2.146 18701 7848 1 10 . 1 1 20 20 ASN CA C 20 54.195 54.195 53.349 0.846 18701 7849 1 10 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.288 -0.707 18701 7850 1 10 . 1 1 20 20 ASN H H 20 8.308 8.308 7.637 0.671 18701 7851 1 10 . 1 1 21 21 LYS N N 21 113.544 113.544 120.050 -6.506 18701 7852 1 10 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.351 0.057 18701 7853 1 10 . 1 1 21 21 LYS C C 21 175.669 175.669 176.106 -0.437 18701 7854 1 10 . 1 1 21 21 LYS CA C 21 55.291 55.291 56.164 -0.873 18701 7855 1 10 . 1 1 21 21 LYS CB C 21 33.275 33.275 33.123 0.152 18701 7856 1 10 . 1 1 21 21 LYS H H 21 6.621 6.621 7.597 -0.976 18701 7857 1 10 . 1 1 22 22 HIS N N 22 115.701 115.701 117.745 -2.044 18701 7858 1 10 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.384 0.335 18701 7859 1 10 . 1 1 22 22 HIS C C 22 174.670 174.670 175.146 -0.476 18701 7860 1 10 . 1 1 22 22 HIS CA C 22 56.332 56.332 57.602 -1.270 18701 7861 1 10 . 1 1 22 22 HIS CB C 22 25.721 25.721 28.111 -2.390 18701 7862 1 10 . 1 1 22 22 HIS H H 22 6.838 6.838 7.777 -0.939 18701 7863 1 10 . 1 1 23 23 GLN N N 23 114.330 114.330 114.633 -0.303 18701 7864 1 10 . 1 1 23 23 GLN HA H 23 4.015 4.015 4.027 -0.012 18701 7865 1 10 . 1 1 23 23 GLN C C 23 174.041 174.041 174.959 -0.918 18701 7866 1 10 . 1 1 23 23 GLN CA C 23 56.311 56.311 58.034 -1.723 18701 7867 1 10 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.601 1.084 18701 7868 1 10 . 1 1 23 23 GLN H H 23 8.028 8.028 8.039 -0.011 18701 7869 1 10 . 1 1 24 24 HIS N N 24 111.043 111.043 112.651 -1.608 18701 7870 1 10 . 1 1 24 24 HIS HA H 24 4.146 4.146 5.062 -0.916 18701 7871 1 10 . 1 1 24 24 HIS C C 24 175.083 175.083 174.208 0.875 18701 7872 1 10 . 1 1 24 24 HIS CA C 24 53.305 53.305 54.635 -1.330 18701 7873 1 10 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.567 0.278 18701 7874 1 10 . 1 1 24 24 HIS H H 24 6.670 6.670 7.223 -0.553 18701 7875 1 10 . 1 1 25 25 SER N N 25 115.307 115.307 114.479 0.828 18701 7876 1 10 . 1 1 25 25 SER HA H 25 4.600 4.600 4.479 0.121 18701 7877 1 10 . 1 1 25 25 SER C C 25 173.368 173.368 173.191 0.177 18701 7878 1 10 . 1 1 25 25 SER CA C 25 59.648 59.648 58.090 1.558 18701 7879 1 10 . 1 1 25 25 SER CB C 25 64.532 64.532 65.142 -0.610 18701 7880 1 10 . 1 1 25 25 SER H H 25 7.591 7.591 7.997 -0.406 18701 7881 1 10 . 1 1 26 26 TYR N N 26 111.318 111.318 117.205 -5.887 18701 7882 1 10 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.596 -0.242 18701 7883 1 10 . 1 1 26 26 TYR C C 26 173.411 173.411 173.760 -0.349 18701 7884 1 10 . 1 1 26 26 TYR CA C 26 56.392 56.392 55.272 1.120 18701 7885 1 10 . 1 1 26 26 TYR CB C 26 41.008 41.008 40.822 0.186 18701 7886 1 10 . 1 1 26 26 TYR H H 26 6.635 6.635 7.520 -0.885 18701 7887 1 10 . 1 1 27 27 ILE N N 27 119.710 119.710 122.377 -2.667 18701 7888 1 10 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.837 -0.308 18701 7889 1 10 . 1 1 27 27 ILE C C 27 174.323 174.323 173.593 0.730 18701 7890 1 10 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.039 1.667 18701 7891 1 10 . 1 1 27 27 ILE CB C 27 44.020 44.020 41.969 2.051 18701 7892 1 10 . 1 1 27 27 ILE H H 27 9.191 9.191 9.189 0.002 18701 7893 1 10 . 1 1 28 28 ILE N N 28 125.249 125.249 128.011 -2.762 18701 7894 1 10 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.755 0.049 18701 7895 1 10 . 1 1 28 28 ILE C C 28 174.757 174.757 174.805 -0.048 18701 7896 1 10 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.339 0.612 18701 7897 1 10 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.058 1.055 18701 7898 1 10 . 1 1 28 28 ILE H H 28 9.049 9.049 9.142 -0.093 18701 7899 1 10 . 1 1 29 29 PHE N N 29 126.153 126.153 127.359 -1.206 18701 7900 1 10 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.462 0.263 18701 7901 1 10 . 1 1 29 29 PHE C C 29 174.193 174.193 174.865 -0.672 18701 7902 1 10 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.309 -0.486 18701 7903 1 10 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.513 0.367 18701 7904 1 10 . 1 1 29 29 PHE H H 29 9.514 9.514 9.441 0.073 18701 7905 1 10 . 1 1 30 30 LYS N N 30 116.531 116.531 119.660 -3.129 18701 7906 1 10 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.891 0.260 18701 7907 1 10 . 1 1 30 30 LYS C C 30 173.411 173.411 174.776 -1.365 18701 7908 1 10 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.282 -0.006 18701 7909 1 10 . 1 1 30 30 LYS CB C 30 37.182 37.182 35.675 1.506 18701 7910 1 10 . 1 1 30 30 LYS H H 30 8.950 8.950 9.121 -0.171 18701 7911 1 10 . 1 1 31 31 ILE N N 31 120.757 120.757 123.036 -2.279 18701 7912 1 10 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.178 0.506 18701 7913 1 10 . 1 1 31 31 ILE C C 31 174.714 174.714 174.387 0.327 18701 7914 1 10 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.726 0.120 18701 7915 1 10 . 1 1 31 31 ILE CB C 31 37.508 37.508 37.938 -0.430 18701 7916 1 10 . 1 1 31 31 ILE H H 31 8.256 8.256 8.947 -0.691 18701 7917 1 10 . 1 1 32 32 ASP N N 32 130.811 130.811 129.353 1.458 18701 7918 1 10 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.898 -0.453 18701 7919 1 10 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.625 0.038 18701 7920 1 10 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.800 -6.311 18701 7921 1 10 . 1 1 32 32 ASP H H 32 9.441 9.441 8.739 0.702 18701 7922 1 10 . 1 1 33 33 LYS HA H 33 4.314 4.314 4.092 0.222 18701 7923 1 10 . 1 1 33 33 LYS C C 33 174.759 174.759 176.485 -1.726 18701 7924 1 10 . 1 1 33 33 LYS CA C 33 56.230 56.230 56.905 -0.675 18701 7925 1 10 . 1 1 33 33 LYS CB C 33 29.205 29.205 32.406 -3.201 18701 7926 1 10 . 1 1 34 34 ASN N N 34 117.759 117.759 122.984 -5.225 18701 7927 1 10 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.614 0.070 18701 7928 1 10 . 1 1 34 34 ASN C C 34 174.736 174.736 175.196 -0.460 18701 7929 1 10 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.140 -0.989 18701 7930 1 10 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.483 1.141 18701 7931 1 10 . 1 1 34 34 ASN H H 34 8.573 8.573 8.855 -0.282 18701 7932 1 10 . 1 1 35 35 ASP N N 35 115.713 115.713 118.559 -2.846 18701 7933 1 10 . 1 1 35 35 ASP C C 35 175.586 175.586 174.644 0.942 18701 7934 1 10 . 1 1 35 35 ASP CA C 35 54.043 54.043 52.664 1.379 18701 7935 1 10 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.658 1.433 18701 7936 1 10 . 1 1 35 35 ASP H H 35 8.134 8.134 7.759 0.375 18701 7937 1 10 . 1 1 36 36 THR HA H 36 4.565 4.565 3.989 0.576 18701 7938 1 10 . 1 1 36 36 THR C C 36 175.517 175.517 172.925 2.592 18701 7939 1 10 . 1 1 36 36 THR CA C 36 62.579 62.579 63.307 -0.728 18701 7940 1 10 . 1 1 36 36 THR CB C 36 71.858 71.858 66.434 5.424 18701 7941 1 10 . 1 1 37 37 ALA N N 37 124.761 124.761 126.120 -1.359 18701 7942 1 10 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.724 -0.226 18701 7943 1 10 . 1 1 37 37 ALA C C 37 175.300 175.300 176.060 -0.760 18701 7944 1 10 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.537 0.944 18701 7945 1 10 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.817 -0.205 18701 7946 1 10 . 1 1 37 37 ALA H H 37 8.054 8.054 8.613 -0.559 18701 7947 1 10 . 1 1 38 38 ILE N N 38 121.171 121.171 124.339 -3.168 18701 7948 1 10 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.857 -0.190 18701 7949 1 10 . 1 1 38 38 ILE C C 38 174.301 174.301 175.217 -0.916 18701 7950 1 10 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.238 -0.799 18701 7951 1 10 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.439 0.778 18701 7952 1 10 . 1 1 38 38 ILE H H 38 8.623 8.623 8.355 0.268 18701 7953 1 10 . 1 1 39 39 VAL N N 39 118.121 118.121 126.186 -8.065 18701 7954 1 10 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.621 0.052 18701 7955 1 10 . 1 1 39 39 VAL C C 39 174.974 174.974 174.166 0.808 18701 7956 1 10 . 1 1 39 39 VAL CA C 39 59.078 59.078 59.360 -0.282 18701 7957 1 10 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.814 -1.341 18701 7958 1 10 . 1 1 39 39 VAL H H 39 9.083 9.083 8.889 0.194 18701 7959 1 10 . 1 1 40 40 VAL N N 40 121.315 121.315 123.015 -1.700 18701 7960 1 10 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.206 -0.418 18701 7961 1 10 . 1 1 40 40 VAL C C 40 175.300 175.300 175.514 -0.214 18701 7962 1 10 . 1 1 40 40 VAL CA C 40 63.800 63.800 64.039 -0.239 18701 7963 1 10 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.066 1.558 18701 7964 1 10 . 1 1 40 40 VAL H H 40 8.345 8.345 8.830 -0.485 18701 7965 1 10 . 1 1 41 41 GLU N N 41 130.920 130.920 127.957 2.963 18701 7966 1 10 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.447 -0.038 18701 7967 1 10 . 1 1 41 41 GLU C C 41 175.647 175.647 176.070 -0.423 18701 7968 1 10 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.215 -0.009 18701 7969 1 10 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.624 1.893 18701 7970 1 10 . 1 1 41 41 GLU H H 41 9.388 9.388 9.140 0.248 18701 7971 1 10 . 1 1 42 42 LYS N N 42 115.836 115.836 119.091 -3.255 18701 7972 1 10 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.525 0.129 18701 7973 1 10 . 1 1 42 42 LYS C C 42 173.715 173.715 173.958 -0.243 18701 7974 1 10 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.348 -0.828 18701 7975 1 10 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.265 1.592 18701 7976 1 10 . 1 1 42 42 LYS H H 42 7.523 7.523 7.753 -0.230 18701 7977 1 10 . 1 1 43 43 VAL N N 43 118.472 118.472 124.989 -6.517 18701 7978 1 10 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.307 0.138 18701 7979 1 10 . 1 1 43 43 VAL C C 43 174.931 174.931 174.937 -0.006 18701 7980 1 10 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.572 0.076 18701 7981 1 10 . 1 1 43 43 VAL CB C 43 34.170 34.170 33.247 0.923 18701 7982 1 10 . 1 1 43 43 VAL H H 43 8.315 8.315 8.432 -0.117 18701 7983 1 10 . 1 1 44 44 GLY N N 44 112.479 112.479 116.596 -4.117 18701 7984 1 10 . 1 1 44 44 GLY C C 44 174.149 174.149 172.808 1.341 18701 7985 1 10 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.052 0.332 18701 7986 1 10 . 1 1 44 44 GLY H H 44 7.953 7.953 8.467 -0.514 18701 7987 1 10 . 1 1 45 45 GLU N N 45 122.999 122.999 119.668 3.331 18701 7988 1 10 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.417 0.002 18701 7989 1 10 . 1 1 45 45 GLU C C 45 175.365 175.365 178.598 -3.233 18701 7990 1 10 . 1 1 45 45 GLU CA C 45 56.392 56.392 55.433 0.959 18701 7991 1 10 . 1 1 45 45 GLU CB C 45 30.670 30.670 31.214 -0.544 18701 7992 1 10 . 1 1 45 45 GLU H H 45 8.949 8.949 8.429 0.520 18701 7993 1 10 . 1 1 48 48 ALA N N 48 124.687 124.687 122.735 1.952 18701 7994 1 10 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.704 -0.283 18701 7995 1 10 . 1 1 48 48 ALA C C 48 176.210 176.210 175.318 0.892 18701 7996 1 10 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.695 1.813 18701 7997 1 10 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.233 -1.586 18701 7998 1 10 . 1 1 48 48 ALA H H 48 7.627 7.627 7.379 0.248 18701 7999 1 10 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.641 0.008 18701 8000 1 10 . 1 1 49 49 PRO C C 49 177.535 177.535 177.380 0.155 18701 8001 1 10 . 1 1 49 49 PRO CA C 49 62.497 62.497 61.906 0.592 18701 8002 1 10 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.636 -0.500 18701 8003 1 10 . 1 1 50 50 TYR N N 50 127.091 127.091 116.926 10.165 18701 8004 1 10 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.192 -0.131 18701 8005 1 10 . 1 1 50 50 TYR C C 50 177.427 177.427 177.281 0.146 18701 8006 1 10 . 1 1 50 50 TYR CA C 50 62.660 62.660 60.432 2.228 18701 8007 1 10 . 1 1 50 50 TYR CB C 50 38.240 38.240 36.547 1.693 18701 8008 1 10 . 1 1 50 50 TYR H H 50 9.065 9.065 8.480 0.585 18701 8009 1 10 . 1 1 51 51 ALA N N 51 117.547 117.547 122.882 -5.335 18701 8010 1 10 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.835 0.240 18701 8011 1 10 . 1 1 51 51 ALA C C 51 179.836 179.836 179.778 0.058 18701 8012 1 10 . 1 1 51 51 ALA CA C 51 55.009 55.009 55.135 -0.126 18701 8013 1 10 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.699 1.331 18701 8014 1 10 . 1 1 51 51 ALA H H 51 8.910 8.910 7.978 0.932 18701 8015 1 10 . 1 1 52 52 GLU N N 52 117.688 117.688 118.241 -0.553 18701 8016 1 10 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.173 -0.147 18701 8017 1 10 . 1 1 52 52 GLU C C 52 177.970 177.970 178.838 -0.868 18701 8018 1 10 . 1 1 52 52 GLU CA C 52 59.241 59.241 57.974 1.266 18701 8019 1 10 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.711 0.064 18701 8020 1 10 . 1 1 52 52 GLU H H 52 7.708 7.708 7.730 -0.022 18701 8021 1 10 . 1 1 53 53 PHE N N 53 120.303 120.303 122.180 -1.877 18701 8022 1 10 . 1 1 53 53 PHE HA H 53 2.974 2.974 3.775 -0.801 18701 8023 1 10 . 1 1 53 53 PHE C C 53 175.582 175.582 176.787 -1.205 18701 8024 1 10 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.976 -1.084 18701 8025 1 10 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.766 -2.072 18701 8026 1 10 . 1 1 53 53 PHE H H 53 6.778 6.778 7.657 -0.879 18701 8027 1 10 . 1 1 54 54 VAL N N 54 117.631 117.631 118.856 -1.225 18701 8028 1 10 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.312 -0.961 18701 8029 1 10 . 1 1 54 54 VAL C C 54 177.101 177.101 178.018 -0.917 18701 8030 1 10 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.605 0.288 18701 8031 1 10 . 1 1 54 54 VAL CB C 54 31.484 31.484 30.656 0.828 18701 8032 1 10 . 1 1 54 54 VAL H H 54 7.104 7.104 8.579 -1.475 18701 8033 1 10 . 1 1 55 55 GLU N N 55 118.253 118.253 119.464 -1.211 18701 8034 1 10 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.897 -0.157 18701 8035 1 10 . 1 1 55 55 GLU C C 55 178.859 178.859 179.415 -0.556 18701 8036 1 10 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.644 -0.728 18701 8037 1 10 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.022 0.265 18701 8038 1 10 . 1 1 55 55 GLU H H 55 7.592 7.592 7.544 0.048 18701 8039 1 10 . 1 1 56 56 GLU N N 56 118.908 118.908 117.535 1.373 18701 8040 1 10 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.049 -0.202 18701 8041 1 10 . 1 1 56 56 GLU C C 56 179.272 179.272 178.328 0.944 18701 8042 1 10 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.250 0.584 18701 8043 1 10 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.457 -0.822 18701 8044 1 10 . 1 1 56 56 GLU H H 56 8.002 8.002 7.875 0.127 18701 8045 1 10 . 1 1 57 57 MET N N 57 117.937 117.937 118.126 -0.189 18701 8046 1 10 . 1 1 57 57 MET HA H 57 3.799 3.799 4.183 -0.384 18701 8047 1 10 . 1 1 57 57 MET C C 57 177.514 177.514 177.206 0.308 18701 8048 1 10 . 1 1 57 57 MET CA C 57 57.044 57.044 56.447 0.597 18701 8049 1 10 . 1 1 57 57 MET CB C 57 30.263 30.263 32.797 -2.534 18701 8050 1 10 . 1 1 57 57 MET H H 57 7.838 7.838 7.476 0.362 18701 8051 1 10 . 1 1 58 58 LYS N N 58 119.343 119.343 119.465 -0.122 18701 8052 1 10 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.874 -0.255 18701 8053 1 10 . 1 1 58 58 LYS C C 58 178.339 178.339 178.708 -0.369 18701 8054 1 10 . 1 1 58 58 LYS CA C 58 60.218 60.218 58.930 1.288 18701 8055 1 10 . 1 1 58 58 LYS CB C 58 32.787 32.787 31.315 1.472 18701 8056 1 10 . 1 1 58 58 LYS H H 58 8.341 8.341 8.659 -0.318 18701 8057 1 10 . 1 1 59 59 LYS N N 59 114.611 114.611 117.303 -2.692 18701 8058 1 10 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.366 -0.472 18701 8059 1 10 . 1 1 59 59 LYS C C 59 178.404 178.404 177.630 0.774 18701 8060 1 10 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.136 0.780 18701 8061 1 10 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.941 0.846 18701 8062 1 10 . 1 1 59 59 LYS H H 59 7.126 7.126 7.304 -0.178 18701 8063 1 10 . 1 1 60 60 LEU N N 60 117.334 117.334 118.805 -1.471 18701 8064 1 10 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.213 -0.079 18701 8065 1 10 . 1 1 60 60 LEU C C 60 179.619 179.619 178.719 0.900 18701 8066 1 10 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.926 -0.208 18701 8067 1 10 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.595 0.529 18701 8068 1 10 . 1 1 60 60 LEU H H 60 7.343 7.343 7.626 -0.283 18701 8069 1 10 . 1 1 61 61 VAL N N 61 108.515 108.515 117.765 -9.250 18701 8070 1 10 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.791 0.653 18701 8071 1 10 . 1 1 61 61 VAL C C 61 177.753 177.753 177.666 0.087 18701 8072 1 10 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.824 -4.711 18701 8073 1 10 . 1 1 61 61 VAL CB C 61 31.973 31.973 30.788 1.185 18701 8074 1 10 . 1 1 61 61 VAL H H 61 7.730 7.730 7.891 -0.161 18701 8075 1 10 . 1 1 62 62 GLU N N 62 123.907 123.907 117.849 6.058 18701 8076 1 10 . 1 1 62 62 GLU HA H 62 4.026 4.026 3.988 0.038 18701 8077 1 10 . 1 1 62 62 GLU C C 62 176.602 176.602 177.091 -0.489 18701 8078 1 10 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.220 1.021 18701 8079 1 10 . 1 1 62 62 GLU CB C 62 29.205 29.205 28.881 0.324 18701 8080 1 10 . 1 1 62 62 GLU H H 62 7.583 7.583 7.664 -0.081 18701 8081 1 10 . 1 1 63 63 ASP N N 63 118.203 118.203 119.712 -1.509 18701 8082 1 10 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.449 -0.075 18701 8083 1 10 . 1 1 63 63 ASP C C 63 177.557 177.557 177.355 0.202 18701 8084 1 10 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.875 0.052 18701 8085 1 10 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.550 -1.519 18701 8086 1 10 . 1 1 63 63 ASP H H 63 8.584 8.584 7.709 0.875 18701 8087 1 10 . 1 1 64 64 GLY N N 64 107.534 107.534 107.999 -0.465 18701 8088 1 10 . 1 1 64 64 GLY C C 64 173.281 173.281 173.780 -0.499 18701 8089 1 10 . 1 1 64 64 GLY CA C 64 46.317 46.317 46.316 0.001 18701 8090 1 10 . 1 1 64 64 GLY H H 64 8.036 8.036 8.642 -0.606 18701 8091 1 10 . 1 1 65 65 LYS N N 65 115.632 115.632 118.263 -2.631 18701 8092 1 10 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.421 -0.215 18701 8093 1 10 . 1 1 65 65 LYS C C 65 176.233 176.233 175.428 0.805 18701 8094 1 10 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.068 1.405 18701 8095 1 10 . 1 1 65 65 LYS CB C 65 34.051 34.051 32.309 1.742 18701 8096 1 10 . 1 1 65 65 LYS H H 65 8.197 8.197 8.033 0.164 18701 8097 1 10 . 1 1 66 66 GLU N N 66 118.786 118.786 120.627 -1.841 18701 8098 1 10 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.172 0.082 18701 8099 1 10 . 1 1 66 66 GLU C C 66 174.063 174.063 174.971 -0.908 18701 8100 1 10 . 1 1 66 66 GLU CA C 66 55.823 55.823 55.548 0.275 18701 8101 1 10 . 1 1 66 66 GLU CB C 66 33.031 33.031 30.443 2.588 18701 8102 1 10 . 1 1 66 66 GLU H H 66 7.775 7.775 7.834 -0.059 18701 8103 1 10 . 1 1 67 67 CYS N N 67 114.372 114.372 119.704 -5.332 18701 8104 1 10 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.876 -0.670 18701 8105 1 10 . 1 1 67 67 CYS C C 67 175.517 175.517 172.960 2.557 18701 8106 1 10 . 1 1 67 67 CYS CA C 67 56.431 56.431 58.042 -1.611 18701 8107 1 10 . 1 1 67 67 CYS CB C 67 29.465 29.465 29.804 -0.339 18701 8108 1 10 . 1 1 67 67 CYS H H 67 7.586 7.586 8.418 -0.832 18701 8109 1 10 . 1 1 68 68 ARG N N 68 117.544 117.544 124.565 -7.021 18701 8110 1 10 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.551 -0.145 18701 8111 1 10 . 1 1 68 68 ARG C C 68 176.624 176.624 173.882 2.742 18701 8112 1 10 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.384 0.950 18701 8113 1 10 . 1 1 68 68 ARG CB C 68 32.376 32.376 30.741 1.635 18701 8114 1 10 . 1 1 68 68 ARG H H 68 7.682 7.682 8.546 -0.864 18701 8115 1 10 . 1 1 69 69 TYR N N 69 115.996 115.996 119.861 -3.865 18701 8116 1 10 . 1 1 69 69 TYR HA H 69 5.819 5.819 4.904 0.915 18701 8117 1 10 . 1 1 69 69 TYR C C 69 175.300 175.300 175.326 -0.026 18701 8118 1 10 . 1 1 69 69 TYR CA C 69 54.379 54.379 56.212 -1.833 18701 8119 1 10 . 1 1 69 69 TYR CB C 69 41.998 41.998 41.448 0.550 18701 8120 1 10 . 1 1 69 69 TYR H H 69 8.139 8.139 9.066 -0.927 18701 8121 1 10 . 1 1 70 70 ALA N N 70 121.451 121.451 122.372 -0.921 18701 8122 1 10 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.476 0.260 18701 8123 1 10 . 1 1 70 70 ALA C C 70 174.367 174.367 174.862 -0.495 18701 8124 1 10 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.635 1.823 18701 8125 1 10 . 1 1 70 70 ALA CB C 70 24.158 24.158 22.890 1.268 18701 8126 1 10 . 1 1 70 70 ALA H H 70 9.334 9.334 8.293 1.041 18701 8127 1 10 . 1 1 71 71 ALA N N 71 121.815 121.815 126.464 -4.649 18701 8128 1 10 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.859 0.009 18701 8129 1 10 . 1 1 71 71 ALA C C 71 175.495 175.495 175.150 0.345 18701 8130 1 10 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.125 0.966 18701 8131 1 10 . 1 1 71 71 ALA CB C 71 21.554 21.554 23.308 -1.754 18701 8132 1 10 . 1 1 71 71 ALA H H 71 9.059 9.059 9.219 -0.160 18701 8133 1 10 . 1 1 72 72 VAL N N 72 120.963 120.963 123.721 -2.758 18701 8134 1 10 . 1 1 72 72 VAL HA H 72 4.505 4.505 5.257 -0.752 18701 8135 1 10 . 1 1 72 72 VAL C C 72 173.194 173.194 173.641 -0.447 18701 8136 1 10 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.705 0.571 18701 8137 1 10 . 1 1 72 72 VAL CB C 72 35.066 35.066 36.890 -1.824 18701 8138 1 10 . 1 1 72 72 VAL H H 72 8.665 8.665 8.445 0.220 18701 8139 1 10 . 1 1 73 73 ASP N N 73 128.360 128.360 129.652 -1.292 18701 8140 1 10 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.260 -0.289 18701 8141 1 10 . 1 1 73 73 ASP C C 73 175.256 175.256 174.589 0.667 18701 8142 1 10 . 1 1 73 73 ASP CA C 73 53.891 53.891 53.209 0.682 18701 8143 1 10 . 1 1 73 73 ASP CB C 73 41.659 41.659 42.442 -0.783 18701 8144 1 10 . 1 1 73 73 ASP H H 73 8.896 8.896 8.499 0.397 18701 8145 1 10 . 1 1 74 74 VAL N N 74 127.568 127.568 125.882 1.686 18701 8146 1 10 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.672 -0.478 18701 8147 1 10 . 1 1 74 74 VAL C C 74 173.846 173.846 173.856 -0.010 18701 8148 1 10 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.516 2.330 18701 8149 1 10 . 1 1 74 74 VAL CB C 74 33.682 33.682 36.331 -2.649 18701 8150 1 10 . 1 1 74 74 VAL H H 74 9.232 9.232 8.638 0.594 18701 8151 1 10 . 1 1 75 75 GLU N N 75 126.833 126.833 129.334 -2.501 18701 8152 1 10 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.620 0.219 18701 8153 1 10 . 1 1 75 75 GLU C C 75 175.799 175.799 175.315 0.484 18701 8154 1 10 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.685 0.893 18701 8155 1 10 . 1 1 75 75 GLU CB C 75 31.647 31.647 28.617 3.030 18701 8156 1 10 . 1 1 75 75 GLU H H 75 8.560 8.560 8.762 -0.202 18701 8157 1 10 . 1 1 76 76 VAL N N 76 123.421 123.421 127.002 -3.581 18701 8158 1 10 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.206 0.226 18701 8159 1 10 . 1 1 76 76 VAL C C 76 174.562 174.562 175.437 -0.875 18701 8160 1 10 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.403 -0.941 18701 8161 1 10 . 1 1 76 76 VAL CB C 76 34.822 34.822 31.459 3.363 18701 8162 1 10 . 1 1 76 76 VAL H H 76 9.032 9.032 8.610 0.422 18701 8163 1 10 . 1 1 77 77 THR N N 77 120.606 120.606 123.459 -2.853 18701 8164 1 10 . 1 1 77 77 THR HA H 77 4.876 4.876 4.528 0.348 18701 8165 1 10 . 1 1 77 77 THR C C 77 173.998 173.998 173.822 0.176 18701 8166 1 10 . 1 1 77 77 THR CA C 77 62.172 62.172 61.689 0.483 18701 8167 1 10 . 1 1 77 77 THR CB C 77 70.067 70.067 68.634 1.433 18701 8168 1 10 . 1 1 77 77 THR H H 77 8.402 8.402 8.507 -0.105 18701 8169 1 10 . 1 1 78 78 VAL N N 78 122.942 122.942 123.635 -0.693 18701 8170 1 10 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.663 -0.279 18701 8171 1 10 . 1 1 78 78 VAL C C 78 174.605 174.605 174.336 0.269 18701 8172 1 10 . 1 1 78 78 VAL CA C 78 60.218 60.218 59.044 1.174 18701 8173 1 10 . 1 1 78 78 VAL CB C 78 34.740 34.740 35.231 -0.491 18701 8174 1 10 . 1 1 78 78 VAL H H 78 8.781 8.781 8.846 -0.065 18701 8175 1 10 . 1 1 79 79 GLN N N 79 123.562 123.562 121.531 2.031 18701 8176 1 10 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.461 -0.081 18701 8177 1 10 . 1 1 79 79 GLN C C 79 175.647 175.647 174.922 0.725 18701 8178 1 10 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.403 0.175 18701 8179 1 10 . 1 1 79 79 GLN CB C 79 29.531 29.531 29.598 -0.067 18701 8180 1 10 . 1 1 79 79 GLN H H 79 8.527 8.527 8.492 0.035 18701 8181 1 10 . 1 1 80 80 ARG N N 80 125.030 125.030 124.458 0.572 18701 8182 1 10 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.707 -0.430 18701 8183 1 10 . 1 1 80 80 ARG C C 80 175.864 175.864 174.958 0.906 18701 8184 1 10 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.508 2.396 18701 8185 1 10 . 1 1 80 80 ARG CB C 80 31.322 31.322 32.105 -0.782 18701 8186 1 10 . 1 1 80 80 ARG H H 80 8.516 8.516 8.513 0.003 18701 8187 1 10 . 1 1 81 81 GLN N N 81 122.473 122.473 118.613 3.860 18701 8188 1 10 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.186 0.019 18701 8189 1 10 . 1 1 81 81 GLN C C 81 176.776 176.776 177.249 -0.473 18701 8190 1 10 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.143 -0.518 18701 8191 1 10 . 1 1 81 81 GLN CB C 81 28.880 28.880 29.111 -0.231 18701 8192 1 10 . 1 1 81 81 GLN H H 81 8.609 8.609 8.496 0.113 18701 8193 1 10 . 1 1 82 82 GLY N N 82 112.685 112.685 108.315 4.370 18701 8194 1 10 . 1 1 82 82 GLY C C 82 173.498 173.498 173.039 0.459 18701 8195 1 10 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.932 0.797 18701 8196 1 10 . 1 1 82 82 GLY H H 82 8.766 8.766 8.681 0.085 18701 8197 1 10 . 1 1 83 83 ALA N N 83 123.093 123.093 123.740 -0.647 18701 8198 1 10 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.507 -0.098 18701 8199 1 10 . 1 1 83 83 ALA C C 83 176.971 176.971 176.117 0.854 18701 8200 1 10 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.129 1.036 18701 8201 1 10 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.166 0.085 18701 8202 1 10 . 1 1 83 83 ALA H H 83 7.965 7.965 7.657 0.308 18701 8203 1 10 . 1 1 84 84 GLU N N 84 118.929 118.929 123.040 -4.111 18701 8204 1 10 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.334 -0.080 18701 8205 1 10 . 1 1 84 84 GLU C C 84 176.928 176.928 175.756 1.172 18701 8206 1 10 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.432 0.612 18701 8207 1 10 . 1 1 84 84 GLU CB C 84 30.426 30.426 28.028 2.398 18701 8208 1 10 . 1 1 84 84 GLU H H 84 8.390 8.390 8.735 -0.345 18701 8209 1 10 . 1 1 85 85 GLY N N 85 109.042 109.042 109.056 -0.014 18701 8210 1 10 . 1 1 85 85 GLY C C 85 173.607 173.607 173.246 0.361 18701 8211 1 10 . 1 1 85 85 GLY CA C 85 44.997 44.997 46.152 -1.155 18701 8212 1 10 . 1 1 85 85 GLY H H 85 8.220 8.220 8.485 -0.265 18701 8213 1 10 . 1 1 86 86 THR N N 86 112.014 112.014 113.194 -1.180 18701 8214 1 10 . 1 1 86 86 THR HA H 86 4.792 4.792 4.675 0.117 18701 8215 1 10 . 1 1 86 86 THR C C 86 174.280 174.280 173.090 1.190 18701 8216 1 10 . 1 1 86 86 THR CA C 86 61.113 61.113 61.009 0.104 18701 8217 1 10 . 1 1 86 86 THR CB C 86 71.532 71.532 69.518 2.014 18701 8218 1 10 . 1 1 86 86 THR H H 86 8.172 8.172 7.413 0.759 18701 8219 1 10 . 1 1 87 87 SER N N 87 117.161 117.161 121.912 -4.751 18701 8220 1 10 . 1 1 87 87 SER HA H 87 4.744 4.744 4.705 0.039 18701 8221 1 10 . 1 1 87 87 SER C C 87 172.956 172.956 173.334 -0.378 18701 8222 1 10 . 1 1 87 87 SER CA C 87 57.532 57.532 56.685 0.847 18701 8223 1 10 . 1 1 87 87 SER CB C 87 65.428 65.428 63.927 1.501 18701 8224 1 10 . 1 1 87 87 SER H H 87 8.782 8.782 9.386 -0.604 18701 8225 1 10 . 1 1 88 88 THR N N 88 116.763 116.763 124.790 -8.027 18701 8226 1 10 . 1 1 88 88 THR HA H 88 5.151 5.151 4.838 0.313 18701 8227 1 10 . 1 1 88 88 THR C C 88 173.650 173.650 173.683 -0.033 18701 8228 1 10 . 1 1 88 88 THR CA C 88 61.439 61.439 61.898 -0.459 18701 8229 1 10 . 1 1 88 88 THR CB C 88 71.125 71.125 69.415 1.710 18701 8230 1 10 . 1 1 88 88 THR H H 88 8.404 8.404 8.678 -0.274 18701 8231 1 10 . 1 1 89 89 LEU N N 89 126.308 126.308 128.607 -2.299 18701 8232 1 10 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.608 0.004 18701 8233 1 10 . 1 1 89 89 LEU C C 89 174.171 174.171 175.298 -1.127 18701 8234 1 10 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.603 0.581 18701 8235 1 10 . 1 1 89 89 LEU CB C 89 45.078 45.078 44.102 0.976 18701 8236 1 10 . 1 1 89 89 LEU H H 89 9.039 9.039 8.334 0.705 18701 8237 1 10 . 1 1 90 90 ASN N N 90 120.749 120.749 121.523 -0.774 18701 8238 1 10 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.146 0.495 18701 8239 1 10 . 1 1 90 90 ASN C C 90 174.757 174.757 174.689 0.068 18701 8240 1 10 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.465 0.916 18701 8241 1 10 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.529 1.235 18701 8242 1 10 . 1 1 90 90 ASN H H 90 8.347 8.347 8.652 -0.305 18701 8243 1 10 . 1 1 91 91 LYS N N 91 123.843 123.843 123.400 0.443 18701 8244 1 10 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.721 -0.025 18701 8245 1 10 . 1 1 91 91 LYS C C 91 173.629 173.629 174.886 -1.257 18701 8246 1 10 . 1 1 91 91 LYS CA C 91 54.314 54.314 53.964 0.350 18701 8247 1 10 . 1 1 91 91 LYS CB C 91 36.531 36.531 36.844 -0.313 18701 8248 1 10 . 1 1 91 91 LYS H H 91 9.087 9.087 8.823 0.264 18701 8249 1 10 . 1 1 92 92 VAL N N 92 123.150 123.150 124.883 -1.733 18701 8250 1 10 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.875 0.228 18701 8251 1 10 . 1 1 92 92 VAL C C 92 175.517 175.517 175.390 0.127 18701 8252 1 10 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.345 0.338 18701 8253 1 10 . 1 1 92 92 VAL CB C 92 31.973 31.973 31.421 0.552 18701 8254 1 10 . 1 1 92 92 VAL H H 92 8.479 8.479 8.730 -0.251 18701 8255 1 10 . 1 1 93 93 ILE N N 93 120.433 120.433 127.028 -6.595 18701 8256 1 10 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.467 0.887 18701 8257 1 10 . 1 1 93 93 ILE C C 93 174.215 174.215 173.597 0.618 18701 8258 1 10 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.859 -0.597 18701 8259 1 10 . 1 1 93 93 ILE CB C 93 41.008 41.008 40.784 0.224 18701 8260 1 10 . 1 1 93 93 ILE H H 93 9.155 9.155 8.082 1.073 18701 8261 1 10 . 1 1 94 94 PHE N N 94 122.349 122.349 128.672 -6.323 18701 8262 1 10 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.453 0.128 18701 8263 1 10 . 1 1 94 94 PHE C C 94 173.042 173.042 173.770 -0.728 18701 8264 1 10 . 1 1 94 94 PHE CA C 94 56.397 56.397 55.807 0.590 18701 8265 1 10 . 1 1 94 94 PHE CB C 94 42.392 42.392 41.298 1.093 18701 8266 1 10 . 1 1 94 94 PHE H H 94 9.002 9.002 8.096 0.906 18701 8267 1 10 . 1 1 95 95 VAL N N 95 126.937 126.937 128.004 -1.067 18701 8268 1 10 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.983 -0.277 18701 8269 1 10 . 1 1 95 95 VAL C C 95 174.128 174.128 174.892 -0.764 18701 8270 1 10 . 1 1 95 95 VAL CA C 95 60.508 60.508 59.751 0.757 18701 8271 1 10 . 1 1 95 95 VAL CB C 95 35.554 35.554 31.705 3.849 18701 8272 1 10 . 1 1 95 95 VAL H H 95 8.978 8.978 8.907 0.071 18701 8273 1 10 . 1 1 96 96 GLN N N 96 124.946 124.946 127.428 -2.482 18701 8274 1 10 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.413 0.319 18701 8275 1 10 . 1 1 96 96 GLN C C 96 172.912 172.912 175.026 -2.114 18701 8276 1 10 . 1 1 96 96 GLN CA C 96 55.421 55.421 55.152 0.269 18701 8277 1 10 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.286 2.117 18701 8278 1 10 . 1 1 96 96 GLN H H 96 8.516 8.516 8.258 0.258 18701 8279 1 10 . 1 1 97 97 TYR N N 97 129.236 129.236 125.352 3.884 18701 8280 1 10 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.185 -0.166 18701 8281 1 10 . 1 1 97 97 TYR C C 97 174.844 174.844 174.937 -0.093 18701 8282 1 10 . 1 1 97 97 TYR CA C 97 57.244 57.244 56.841 0.403 18701 8283 1 10 . 1 1 97 97 TYR CB C 97 41.252 41.252 39.569 1.683 18701 8284 1 10 . 1 1 97 97 TYR H H 97 9.030 9.030 8.701 0.329 18701 8285 1 10 . 1 1 98 98 CYS N N 98 127.084 127.084 122.798 4.286 18701 8286 1 10 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.874 -0.142 18701 8287 1 10 . 1 1 98 98 CYS CA C 98 54.602 54.602 55.995 -1.393 18701 8288 1 10 . 1 1 98 98 CYS CB C 98 29.042 29.042 30.985 -1.943 18701 8289 1 10 . 1 1 98 98 CYS H H 98 8.227 8.227 9.115 -0.888 18701 8290 1 10 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.475 0.268 18701 8291 1 10 . 1 1 99 99 PRO C C 99 177.492 177.492 176.762 0.730 18701 8292 1 10 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.761 -0.182 18701 8293 1 10 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.726 -0.265 18701 8294 1 10 . 1 1 100 100 ASP N N 100 120.420 120.420 119.238 1.182 18701 8295 1 10 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.385 -0.167 18701 8296 1 10 . 1 1 100 100 ASP C C 100 176.993 176.993 176.545 0.448 18701 8297 1 10 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.157 1.212 18701 8298 1 10 . 1 1 100 100 ASP CB C 100 40.682 40.682 41.250 -0.568 18701 8299 1 10 . 1 1 100 100 ASP H H 100 8.584 8.584 8.694 -0.110 18701 8300 1 10 . 1 1 101 101 ASN N N 101 112.580 112.580 116.666 -4.086 18701 8301 1 10 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.725 0.066 18701 8302 1 10 . 1 1 101 101 ASN C C 101 175.256 175.256 174.465 0.791 18701 8303 1 10 . 1 1 101 101 ASN CA C 101 52.784 52.784 53.181 -0.397 18701 8304 1 10 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.210 -0.132 18701 8305 1 10 . 1 1 101 101 ASN H H 101 8.055 8.055 8.221 -0.166 18701 8306 1 10 . 1 1 102 102 ALA N N 102 123.140 123.140 123.887 -0.747 18701 8307 1 10 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.395 0.146 18701 8308 1 10 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.390 1.157 18701 8309 1 10 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.539 -1.137 18701 8310 1 10 . 1 1 102 102 ALA H H 102 7.207 7.207 7.166 0.041 18701 8311 1 10 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.295 0.137 18701 8312 1 10 . 1 1 103 103 PRO C C 103 178.208 178.208 177.714 0.494 18701 8313 1 10 . 1 1 103 103 PRO CA C 103 63.148 63.148 63.213 -0.065 18701 8314 1 10 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.257 0.123 18701 8315 1 10 . 1 1 104 104 VAL N N 104 125.953 125.953 125.150 0.803 18701 8316 1 10 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.612 -0.016 18701 8317 1 10 . 1 1 104 104 VAL C C 104 177.210 177.210 178.221 -1.011 18701 8318 1 10 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.711 0.182 18701 8319 1 10 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.766 0.207 18701 8320 1 10 . 1 1 104 104 VAL H H 104 8.747 8.747 8.636 0.111 18701 8321 1 10 . 1 1 105 105 ARG N N 105 118.556 118.556 119.401 -0.845 18701 8322 1 10 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.133 -0.048 18701 8323 1 10 . 1 1 105 105 ARG C C 105 179.185 179.185 178.778 0.407 18701 8324 1 10 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.605 0.043 18701 8325 1 10 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.389 0.305 18701 8326 1 10 . 1 1 105 105 ARG H H 105 8.866 8.866 8.595 0.271 18701 8327 1 10 . 1 1 106 106 ARG N N 106 118.188 118.188 120.020 -1.832 18701 8328 1 10 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.165 0.053 18701 8329 1 10 . 1 1 106 106 ARG C C 106 177.991 177.991 178.584 -0.593 18701 8330 1 10 . 1 1 106 106 ARG CA C 106 58.579 58.579 58.896 -0.317 18701 8331 1 10 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.056 0.045 18701 8332 1 10 . 1 1 106 106 ARG H H 106 7.140 7.140 7.795 -0.655 18701 8333 1 10 . 1 1 107 107 ARG N N 107 119.484 119.484 120.953 -1.469 18701 8334 1 10 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.138 -0.123 18701 8335 1 10 . 1 1 107 107 ARG C C 107 179.424 179.424 178.696 0.728 18701 8336 1 10 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.739 1.886 18701 8337 1 10 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.648 0.615 18701 8338 1 10 . 1 1 107 107 ARG H H 107 8.246 8.246 8.532 -0.286 18701 8339 1 10 . 1 1 108 108 MET N N 108 117.193 117.193 119.858 -2.665 18701 8340 1 10 . 1 1 108 108 MET HA H 108 4.218 4.218 4.290 -0.072 18701 8341 1 10 . 1 1 108 108 MET C C 108 178.968 178.968 178.276 0.692 18701 8342 1 10 . 1 1 108 108 MET CA C 108 58.671 58.671 57.863 0.808 18701 8343 1 10 . 1 1 108 108 MET CB C 108 32.380 32.380 32.077 0.303 18701 8344 1 10 . 1 1 108 108 MET H H 108 8.599 8.599 8.353 0.246 18701 8345 1 10 . 1 1 109 109 LEU N N 109 123.421 123.421 120.054 3.367 18701 8346 1 10 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.904 0.290 18701 8347 1 10 . 1 1 109 109 LEU C C 109 180.444 180.444 178.688 1.756 18701 8348 1 10 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.995 0.188 18701 8349 1 10 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.226 1.166 18701 8350 1 10 . 1 1 109 109 LEU H H 109 7.924 7.924 7.751 0.173 18701 8351 1 10 . 1 1 110 110 TYR N N 110 120.798 120.798 120.977 -0.179 18701 8352 1 10 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.375 -0.182 18701 8353 1 10 . 1 1 110 110 TYR C C 110 180.574 180.574 177.345 3.229 18701 8354 1 10 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.014 0.588 18701 8355 1 10 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.469 -0.636 18701 8356 1 10 . 1 1 110 110 TYR H H 110 8.761 8.761 8.488 0.273 18701 8357 1 10 . 1 1 111 111 ALA N N 111 123.703 123.703 117.796 5.907 18701 8358 1 10 . 1 1 111 111 ALA HA H 111 4.362 4.362 3.998 0.364 18701 8359 1 10 . 1 1 111 111 ALA C C 111 180.314 180.314 179.159 1.155 18701 8360 1 10 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.024 1.636 18701 8361 1 10 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.424 0.037 18701 8362 1 10 . 1 1 111 111 ALA H H 111 8.668 8.668 7.962 0.706 18701 8363 1 10 . 1 1 112 112 SER N N 112 112.404 112.404 114.195 -1.791 18701 8364 1 10 . 1 1 112 112 SER HA H 112 4.360 4.360 4.230 0.130 18701 8365 1 10 . 1 1 112 112 SER C C 112 176.949 176.949 175.854 1.095 18701 8366 1 10 . 1 1 112 112 SER CA C 112 60.869 60.869 61.022 -0.153 18701 8367 1 10 . 1 1 112 112 SER CB C 112 63.474 63.474 63.972 -0.499 18701 8368 1 10 . 1 1 112 112 SER H H 112 8.532 8.532 7.660 0.872 18701 8369 1 10 . 1 1 113 113 SER N N 113 115.828 115.828 117.046 -1.218 18701 8370 1 10 . 1 1 113 113 SER HA H 113 4.552 4.552 4.245 0.307 18701 8371 1 10 . 1 1 113 113 SER C C 113 173.390 173.390 175.832 -2.442 18701 8372 1 10 . 1 1 113 113 SER CA C 113 60.218 60.218 60.224 -0.007 18701 8373 1 10 . 1 1 113 113 SER CB C 113 63.393 63.393 62.827 0.566 18701 8374 1 10 . 1 1 113 113 SER H H 113 7.607 7.607 8.008 -0.401 18701 8375 1 10 . 1 1 114 114 VAL N N 114 119.484 119.484 122.854 -3.370 18701 8376 1 10 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.468 -0.111 18701 8377 1 10 . 1 1 114 114 VAL C C 114 176.016 176.016 177.688 -1.672 18701 8378 1 10 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.165 -1.551 18701 8379 1 10 . 1 1 114 114 VAL CB C 114 31.891 31.891 30.885 1.006 18701 8380 1 10 . 1 1 114 114 VAL H H 114 6.999 6.999 7.785 -0.786 18701 8381 1 10 . 1 1 115 115 ARG N N 115 121.686 121.686 117.133 4.553 18701 8382 1 10 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.941 -0.241 18701 8383 1 10 . 1 1 115 115 ARG C C 115 178.360 178.360 177.819 0.541 18701 8384 1 10 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.038 1.854 18701 8385 1 10 . 1 1 115 115 ARG CB C 115 29.205 29.205 28.390 0.815 18701 8386 1 10 . 1 1 115 115 ARG H H 115 7.740 7.740 8.569 -0.829 18701 8387 1 10 . 1 1 116 116 ALA N N 116 121.346 121.346 123.218 -1.872 18701 8388 1 10 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.122 -0.083 18701 8389 1 10 . 1 1 116 116 ALA C C 116 180.335 180.335 179.421 0.914 18701 8390 1 10 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.486 0.278 18701 8391 1 10 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.600 -0.709 18701 8392 1 10 . 1 1 116 116 ALA H H 116 7.737 7.737 7.373 0.364 18701 8393 1 10 . 1 1 117 117 LEU N N 117 119.203 119.203 116.311 2.892 18701 8394 1 10 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.690 -0.035 18701 8395 1 10 . 1 1 117 117 LEU C C 117 177.449 177.449 178.385 -0.936 18701 8396 1 10 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.592 0.265 18701 8397 1 10 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.372 1.206 18701 8398 1 10 . 1 1 117 117 LEU H H 117 6.785 6.785 8.202 -1.417 18701 8399 1 10 . 1 1 118 118 LYS N N 118 114.804 114.804 119.202 -4.398 18701 8400 1 10 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.602 0.760 18701 8401 1 10 . 1 1 118 118 LYS C C 118 178.686 178.686 178.634 0.052 18701 8402 1 10 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.370 0.604 18701 8403 1 10 . 1 1 118 118 LYS CB C 118 32.461 32.461 31.989 0.472 18701 8404 1 10 . 1 1 118 118 LYS H H 118 8.132 8.132 7.153 0.979 18701 8405 1 10 . 1 1 119 119 ALA N N 119 119.833 119.833 121.255 -1.422 18701 8406 1 10 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.101 0.056 18701 8407 1 10 . 1 1 119 119 ALA C C 119 180.183 180.183 179.504 0.679 18701 8408 1 10 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.504 -0.065 18701 8409 1 10 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.251 0.128 18701 8410 1 10 . 1 1 119 119 ALA H H 119 8.068 8.068 7.404 0.664 18701 8411 1 10 . 1 1 120 120 SER N N 120 112.312 112.312 113.571 -1.259 18701 8412 1 10 . 1 1 120 120 SER HA H 120 4.073 4.073 4.166 -0.093 18701 8413 1 10 . 1 1 120 120 SER C C 120 175.799 175.799 175.318 0.481 18701 8414 1 10 . 1 1 120 120 SER CA C 120 61.602 61.602 60.836 0.766 18701 8415 1 10 . 1 1 120 120 SER CB C 120 63.555 63.555 63.379 0.176 18701 8416 1 10 . 1 1 120 120 SER H H 120 7.713 7.713 7.654 0.059 18701 8417 1 10 . 1 1 121 121 LEU N N 121 116.812 116.812 117.714 -0.902 18701 8418 1 10 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.032 0.053 18701 8419 1 10 . 1 1 121 121 LEU C C 121 176.125 176.125 176.443 -0.318 18701 8420 1 10 . 1 1 121 121 LEU CA C 121 55.904 55.904 54.057 1.847 18701 8421 1 10 . 1 1 121 121 LEU CB C 121 41.252 41.252 42.755 -1.503 18701 8422 1 10 . 1 1 121 121 LEU H H 121 7.272 7.272 7.035 0.237 18701 8423 1 10 . 1 1 122 122 GLY N N 122 108.734 108.734 105.673 3.061 18701 8424 1 10 . 1 1 122 122 GLY C C 122 176.754 176.754 174.818 1.936 18701 8425 1 10 . 1 1 122 122 GLY CA C 122 47.276 47.276 44.851 2.425 18701 8426 1 10 . 1 1 122 122 GLY H H 122 7.377 7.377 7.778 -0.401 18701 8427 1 10 . 1 1 123 123 LEU N N 123 116.950 116.950 118.385 -1.435 18701 8428 1 10 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.422 -0.277 18701 8429 1 10 . 1 1 123 123 LEU C C 123 178.187 178.187 177.187 1.000 18701 8430 1 10 . 1 1 123 123 LEU CA C 123 53.950 53.950 54.377 -0.427 18701 8431 1 10 . 1 1 123 123 LEU CB C 123 41.903 41.903 41.171 0.732 18701 8432 1 10 . 1 1 123 123 LEU H H 123 8.201 8.201 7.848 0.353 18701 8433 1 10 . 1 1 124 124 GLU N N 124 120.328 120.328 118.417 1.911 18701 8434 1 10 . 1 1 124 124 GLU HA H 124 3.704 3.704 4.241 -0.537 18701 8435 1 10 . 1 1 124 124 GLU C C 124 176.970 176.970 177.502 -0.532 18701 8436 1 10 . 1 1 124 124 GLU CA C 124 60.462 60.462 57.007 3.455 18701 8437 1 10 . 1 1 124 124 GLU CB C 124 29.205 29.205 28.302 0.903 18701 8438 1 10 . 1 1 124 124 GLU H H 124 9.213 9.213 8.370 0.843 18701 8439 1 10 . 1 1 125 125 SER N N 125 110.938 110.938 115.373 -4.435 18701 8440 1 10 . 1 1 125 125 SER HA H 125 4.456 4.456 4.287 0.169 18701 8441 1 10 . 1 1 125 125 SER C C 125 174.475 174.475 174.287 0.188 18701 8442 1 10 . 1 1 125 125 SER CA C 125 58.590 58.590 61.134 -2.544 18701 8443 1 10 . 1 1 125 125 SER CB C 125 63.555 63.555 63.778 -0.223 18701 8444 1 10 . 1 1 125 125 SER H H 125 8.308 8.308 8.000 0.308 18701 8445 1 10 . 1 1 126 126 LEU N N 126 121.193 121.193 116.533 4.660 18701 8446 1 10 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.615 -0.146 18701 8447 1 10 . 1 1 126 126 LEU C C 126 177.774 177.774 174.728 3.046 18701 8448 1 10 . 1 1 126 126 LEU CA C 126 54.927 54.927 54.081 0.846 18701 8449 1 10 . 1 1 126 126 LEU CB C 126 42.066 42.066 45.919 -3.853 18701 8450 1 10 . 1 1 126 126 LEU H H 126 7.178 7.178 7.342 -0.164 18701 8451 1 10 . 1 1 127 127 PHE N N 127 125.109 125.109 119.125 5.984 18701 8452 1 10 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.737 -0.389 18701 8453 1 10 . 1 1 127 127 PHE C C 127 173.542 173.542 174.745 -1.203 18701 8454 1 10 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.141 2.675 18701 8455 1 10 . 1 1 127 127 PHE CB C 127 39.950 39.950 41.374 -1.424 18701 8456 1 10 . 1 1 127 127 PHE H H 127 9.050 9.050 8.454 0.596 18701 8457 1 10 . 1 1 128 128 GLN N N 128 125.953 125.953 124.626 1.327 18701 8458 1 10 . 1 1 128 128 GLN HA H 128 5.510 5.510 4.805 0.705 18701 8459 1 10 . 1 1 128 128 GLN C C 128 174.736 174.736 174.593 0.143 18701 8460 1 10 . 1 1 128 128 GLN CA C 128 53.532 53.532 55.426 -1.894 18701 8461 1 10 . 1 1 128 128 GLN CB C 128 31.973 31.973 28.954 3.019 18701 8462 1 10 . 1 1 128 128 GLN H H 128 7.618 7.618 7.863 -0.245 18701 8463 1 10 . 1 1 129 129 VAL N N 129 123.703 123.703 127.255 -3.552 18701 8464 1 10 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.507 -0.432 18701 8465 1 10 . 1 1 129 129 VAL C C 129 174.736 174.736 174.055 0.681 18701 8466 1 10 . 1 1 129 129 VAL CA C 129 61.439 61.439 61.094 0.345 18701 8467 1 10 . 1 1 129 129 VAL CB C 129 34.984 34.984 34.571 0.413 18701 8468 1 10 . 1 1 129 129 VAL H H 129 8.948 8.948 8.967 -0.019 18701 8469 1 10 . 1 1 130 130 GLN N N 130 129.187 129.187 124.706 4.481 18701 8470 1 10 . 1 1 130 130 GLN HA H 130 4.731 4.731 5.106 -0.375 18701 8471 1 10 . 1 1 130 130 GLN C C 130 173.780 173.780 174.277 -0.497 18701 8472 1 10 . 1 1 130 130 GLN CA C 130 55.009 55.009 53.748 1.261 18701 8473 1 10 . 1 1 130 130 GLN CB C 130 28.391 28.391 32.072 -3.681 18701 8474 1 10 . 1 1 130 130 GLN H H 130 8.988 8.988 8.529 0.459 18701 8475 1 10 . 1 1 131 131 ALA N N 131 127.359 127.359 124.084 3.275 18701 8476 1 10 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.149 -0.333 18701 8477 1 10 . 1 1 131 131 ALA C C 131 174.909 174.909 175.984 -1.075 18701 8478 1 10 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.684 0.081 18701 8479 1 10 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.931 0.820 18701 8480 1 10 . 1 1 131 131 ALA H H 131 8.663 8.663 8.640 0.023 18701 8481 1 10 . 1 1 132 132 SER N N 132 116.281 116.281 116.792 -0.511 18701 8482 1 10 . 1 1 132 132 SER HA H 132 4.085 4.085 4.672 -0.587 18701 8483 1 10 . 1 1 132 132 SER C C 132 172.087 172.087 174.339 -2.252 18701 8484 1 10 . 1 1 132 132 SER CA C 132 57.667 57.667 60.404 -2.737 18701 8485 1 10 . 1 1 132 132 SER CB C 132 65.916 65.916 63.986 1.930 18701 8486 1 10 . 1 1 132 132 SER H H 132 9.369 9.369 9.226 0.143 18701 8487 1 10 . 1 1 133 133 GLU N N 133 119.487 119.487 115.367 4.120 18701 8488 1 10 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.491 0.336 18701 8489 1 10 . 1 1 133 133 GLU C C 133 177.666 177.666 177.959 -0.293 18701 8490 1 10 . 1 1 133 133 GLU CA C 133 54.998 54.998 54.626 0.372 18701 8491 1 10 . 1 1 133 133 GLU CB C 133 33.112 33.112 30.506 2.606 18701 8492 1 10 . 1 1 133 133 GLU H H 133 7.739 7.739 7.707 0.032 18701 8493 1 10 . 1 1 134 134 MET N N 134 122.237 122.237 115.563 6.674 18701 8494 1 10 . 1 1 134 134 MET HA H 134 4.529 4.529 4.170 0.359 18701 8495 1 10 . 1 1 134 134 MET C C 134 180.856 180.856 176.874 3.982 18701 8496 1 10 . 1 1 134 134 MET CA C 134 56.593 56.593 58.539 -1.946 18701 8497 1 10 . 1 1 134 134 MET CB C 134 29.042 29.042 32.459 -3.417 18701 8498 1 10 . 1 1 134 134 MET H H 134 9.143 9.143 8.529 0.614 18701 8499 1 10 . 1 1 135 135 SER N N 135 116.214 116.214 113.483 2.731 18701 8500 1 10 . 1 1 135 135 SER HA H 135 4.205 4.205 4.350 -0.145 18701 8501 1 10 . 1 1 135 135 SER C C 135 176.993 176.993 176.073 0.920 18701 8502 1 10 . 1 1 135 135 SER CA C 135 61.216 61.216 60.784 0.432 18701 8503 1 10 . 1 1 135 135 SER CB C 135 62.253 62.253 63.484 -1.231 18701 8504 1 10 . 1 1 135 135 SER H H 135 8.659 8.659 7.811 0.848 18701 8505 1 10 . 1 1 136 136 ASP N N 136 122.296 122.296 121.986 0.310 18701 8506 1 10 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.631 -0.078 18701 8507 1 10 . 1 1 136 136 ASP C C 136 175.647 175.647 177.559 -1.912 18701 8508 1 10 . 1 1 136 136 ASP CA C 136 56.881 56.881 56.150 0.731 18701 8509 1 10 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.335 0.324 18701 8510 1 10 . 1 1 136 136 ASP H H 136 7.861 7.861 8.156 -0.295 18701 8511 1 10 . 1 1 137 137 LEU N N 137 113.859 113.859 115.482 -1.623 18701 8512 1 10 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.621 -0.104 18701 8513 1 10 . 1 1 137 137 LEU C C 137 176.038 176.038 176.578 -0.540 18701 8514 1 10 . 1 1 137 137 LEU CA C 137 53.218 53.218 55.095 -1.877 18701 8515 1 10 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.183 0.639 18701 8516 1 10 . 1 1 137 137 LEU H H 137 7.617 7.617 7.577 0.041 18701 8517 1 10 . 1 1 138 138 ASP N N 138 119.906 119.906 120.924 -1.018 18701 8518 1 10 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.552 -0.227 18701 8519 1 10 . 1 1 138 138 ASP C C 138 175.842 175.842 177.489 -1.647 18701 8520 1 10 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.472 1.512 18701 8521 1 10 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.778 0.509 18701 8522 1 10 . 1 1 138 138 ASP H H 138 7.119 7.119 7.459 -0.340 18701 8523 1 10 . 1 1 139 139 GLU N N 139 128.062 128.062 125.380 2.682 18701 8524 1 10 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.928 -0.619 18701 8525 1 10 . 1 1 139 139 GLU C C 139 177.275 177.275 177.791 -0.516 18701 8526 1 10 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.829 1.470 18701 8527 1 10 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.193 1.315 18701 8528 1 10 . 1 1 139 139 GLU H H 139 8.943 8.943 8.847 0.096 18701 8529 1 10 . 1 1 140 140 LYS N N 140 115.993 115.993 118.406 -2.413 18701 8530 1 10 . 1 1 140 140 LYS HA H 140 3.894 3.894 3.989 -0.095 18701 8531 1 10 . 1 1 140 140 LYS C C 140 179.771 179.771 179.050 0.721 18701 8532 1 10 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.926 0.629 18701 8533 1 10 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.765 0.208 18701 8534 1 10 . 1 1 140 140 LYS H H 140 8.243 8.243 8.723 -0.480 18701 8535 1 10 . 1 1 141 141 SER N N 141 116.877 116.877 114.994 1.883 18701 8536 1 10 . 1 1 141 141 SER HA H 141 4.184 4.184 4.620 -0.436 18701 8537 1 10 . 1 1 141 141 SER C C 141 175.973 175.973 176.197 -0.224 18701 8538 1 10 . 1 1 141 141 SER CA C 141 61.737 61.737 60.734 1.003 18701 8539 1 10 . 1 1 141 141 SER CB C 141 62.986 62.986 64.074 -1.088 18701 8540 1 10 . 1 1 141 141 SER H H 141 7.856 7.856 7.674 0.182 18701 8541 1 10 . 1 1 142 142 VAL N N 142 121.874 121.874 122.642 -0.768 18701 8542 1 10 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.633 0.143 18701 8543 1 10 . 1 1 142 142 VAL C C 142 178.165 178.165 177.266 0.899 18701 8544 1 10 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.467 -0.737 18701 8545 1 10 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.345 1.035 18701 8546 1 10 . 1 1 142 142 VAL H H 142 8.476 8.476 7.569 0.907 18701 8547 1 10 . 1 1 143 143 LYS N N 143 116.141 116.141 119.671 -3.530 18701 8548 1 10 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.981 -0.362 18701 8549 1 10 . 1 1 143 143 LYS C C 143 178.512 178.512 179.042 -0.530 18701 8550 1 10 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.380 1.896 18701 8551 1 10 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.899 0.237 18701 8552 1 10 . 1 1 143 143 LYS H H 143 8.157 8.157 7.680 0.477 18701 8553 1 10 . 1 1 144 144 SER N N 144 113.862 113.862 114.751 -0.889 18701 8554 1 10 . 1 1 144 144 SER HA H 144 4.158 4.158 4.164 -0.006 18701 8555 1 10 . 1 1 144 144 SER C C 144 177.340 177.340 176.413 0.927 18701 8556 1 10 . 1 1 144 144 SER CA C 144 61.769 61.769 61.770 -0.001 18701 8557 1 10 . 1 1 144 144 SER CB C 144 62.986 62.986 63.110 -0.124 18701 8558 1 10 . 1 1 144 144 SER H H 144 7.754 7.754 7.696 0.058 18701 8559 1 10 . 1 1 145 145 ASP N N 145 123.316 123.316 121.692 1.624 18701 8560 1 10 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.594 -0.186 18701 8561 1 10 . 1 1 145 145 ASP C C 145 178.708 178.708 178.239 0.469 18701 8562 1 10 . 1 1 145 145 ASP CA C 145 57.369 57.369 56.911 0.458 18701 8563 1 10 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.245 -1.051 18701 8564 1 10 . 1 1 145 145 ASP H H 145 8.172 8.172 8.042 0.130 18701 8565 1 10 . 1 1 146 146 LEU N N 146 121.453 121.453 118.862 2.591 18701 8566 1 10 . 1 1 146 146 LEU HA H 146 3.058 3.058 4.164 -1.106 18701 8567 1 10 . 1 1 146 146 LEU C C 146 178.447 178.447 178.503 -0.056 18701 8568 1 10 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.919 -0.550 18701 8569 1 10 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.459 1.177 18701 8570 1 10 . 1 1 146 146 LEU H H 146 8.186 8.186 8.192 -0.006 18701 8571 1 10 . 1 1 147 147 MET N N 147 115.468 115.468 117.285 -1.817 18701 8572 1 10 . 1 1 147 147 MET HA H 147 4.314 4.314 4.492 -0.178 18701 8573 1 10 . 1 1 147 147 MET C C 147 177.839 177.839 177.476 0.363 18701 8574 1 10 . 1 1 147 147 MET CA C 147 56.311 56.311 58.515 -2.204 18701 8575 1 10 . 1 1 147 147 MET CB C 147 31.891 31.891 32.577 -0.686 18701 8576 1 10 . 1 1 147 147 MET H H 147 7.622 7.622 7.614 0.008 18701 8577 1 10 . 1 1 148 148 SER N N 148 115.203 115.203 113.572 1.631 18701 8578 1 10 . 1 1 148 148 SER HA H 148 4.338 4.338 4.351 -0.013 18701 8579 1 10 . 1 1 148 148 SER C C 148 174.953 174.953 176.434 -1.481 18701 8580 1 10 . 1 1 148 148 SER CA C 148 60.137 60.137 60.941 -0.804 18701 8581 1 10 . 1 1 148 148 SER CB C 148 63.637 63.637 63.801 -0.164 18701 8582 1 10 . 1 1 148 148 SER H H 148 7.836 7.836 7.643 0.193 18701 8583 1 10 . 1 1 149 149 ASN N N 149 119.635 119.635 119.550 0.085 18701 8584 1 10 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.506 0.177 18701 8585 1 10 . 1 1 149 149 ASN C C 149 174.953 174.953 177.638 -2.685 18701 8586 1 10 . 1 1 149 149 ASN CA C 149 54.439 54.439 54.577 -0.138 18701 8587 1 10 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.835 1.871 18701 8588 1 10 . 1 1 149 149 ASN H H 149 8.040 8.040 7.962 0.078 18701 8589 1 10 . 1 1 150 150 GLN N N 150 118.805 118.805 117.905 0.900 18701 8590 1 10 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.969 0.344 18701 8591 1 10 . 1 1 150 150 GLN C C 150 175.365 175.365 176.088 -0.723 18701 8592 1 10 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.893 -3.070 18701 8593 1 10 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.061 0.226 18701 8594 1 10 . 1 1 150 150 GLN H H 150 8.041 8.041 7.751 0.290 18701 8595 1 10 . 1 1 151 151 ARG N N 151 122.082 122.082 112.966 9.116 18701 8596 1 10 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.517 -0.155 18701 8597 1 10 . 1 1 151 151 ARG C C 151 175.213 175.213 175.329 -0.116 18701 8598 1 10 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.965 0.367 18701 8599 1 10 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.871 -0.445 18701 8600 1 10 . 1 1 151 151 ARG H H 151 8.221 8.221 7.365 0.856 18701 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 142 3.372 0.922 3.255 18701 2 1 1 "Average Difference" HA 153 0.349 0.046 0.347 18701 3 1 1 "Average Difference" C 145 1.087 0.019 1.091 18701 4 1 1 "Average Difference" CA 148 1.142 -0.240 1.121 18701 5 1 1 "Average Difference" CB 142 1.401 -0.252 1.383 18701 6 1 1 "Average Difference" HN 142 0.532 0.003 0.533 18701 7 1 2 "Average Difference" N 142 3.424 1.159 3.234 18701 8 1 2 "Average Difference" HA 153 0.364 0.044 0.363 18701 9 1 2 "Average Difference" C 145 1.077 0.014 1.080 18701 10 1 2 "Average Difference" CA 148 1.202 -0.198 1.189 18701 11 1 2 "Average Difference" CB 142 1.365 -0.273 1.343 18701 12 1 2 "Average Difference" HN 142 0.494 -0.032 0.495 18701 13 1 3 "Average Difference" N 142 3.189 0.891 3.072 18701 14 1 3 "Average Difference" HA 153 0.319 0.034 0.319 18701 15 1 3 "Average Difference" C 145 0.996 -0.027 0.999 18701 16 1 3 "Average Difference" CA 148 1.227 -0.243 1.207 18701 17 1 3 "Average Difference" CB 142 1.288 -0.222 1.273 18701 18 1 3 "Average Difference" HN 142 0.477 0.008 0.479 18701 19 1 4 "Average Difference" N 142 3.669 0.970 3.551 18701 20 1 4 "Average Difference" HA 153 0.340 0.017 0.341 18701 21 1 4 "Average Difference" C 145 1.097 -0.059 1.099 18701 22 1 4 "Average Difference" CA 148 1.222 -0.217 1.206 18701 23 1 4 "Average Difference" CB 142 1.383 -0.257 1.364 18701 24 1 4 "Average Difference" HN 142 0.517 0.002 0.519 18701 25 1 5 "Average Difference" N 142 3.522 1.172 3.333 18701 26 1 5 "Average Difference" HA 153 0.338 0.046 0.336 18701 27 1 5 "Average Difference" C 145 1.069 -0.046 1.071 18701 28 1 5 "Average Difference" CA 148 1.233 -0.244 1.213 18701 29 1 5 "Average Difference" CB 142 1.380 -0.247 1.363 18701 30 1 5 "Average Difference" HN 142 0.475 0.002 0.476 18701 31 1 6 "Average Difference" N 142 3.395 0.734 3.326 18701 32 1 6 "Average Difference" HA 153 0.355 0.070 0.350 18701 33 1 6 "Average Difference" C 145 1.050 -0.046 1.053 18701 34 1 6 "Average Difference" CA 148 1.178 -0.237 1.158 18701 35 1 6 "Average Difference" CB 142 1.396 -0.125 1.395 18701 36 1 6 "Average Difference" HN 142 0.529 -0.025 0.530 18701 37 1 7 "Average Difference" N 142 3.235 0.821 3.140 18701 38 1 7 "Average Difference" HA 153 0.342 0.041 0.341 18701 39 1 7 "Average Difference" C 145 1.074 -0.010 1.078 18701 40 1 7 "Average Difference" CA 148 1.131 -0.264 1.104 18701 41 1 7 "Average Difference" CB 142 1.465 -0.200 1.456 18701 42 1 7 "Average Difference" HN 142 0.539 -0.023 0.540 18701 43 1 8 "Average Difference" N 142 3.601 0.754 3.534 18701 44 1 8 "Average Difference" HA 153 0.345 0.029 0.344 18701 45 1 8 "Average Difference" C 145 1.082 -0.022 1.086 18701 46 1 8 "Average Difference" CA 148 1.246 -0.206 1.233 18701 47 1 8 "Average Difference" CB 142 1.486 -0.257 1.469 18701 48 1 8 "Average Difference" HN 142 0.568 -0.035 0.569 18701 49 1 9 "Average Difference" N 142 3.423 0.778 3.346 18701 50 1 9 "Average Difference" HA 153 0.340 0.037 0.339 18701 51 1 9 "Average Difference" C 145 1.078 -0.015 1.082 18701 52 1 9 "Average Difference" CA 148 1.165 -0.331 1.121 18701 53 1 9 "Average Difference" CB 142 1.358 -0.291 1.331 18701 54 1 9 "Average Difference" HN 142 0.560 -0.026 0.562 18701 55 1 10 "Average Difference" N 142 3.423 0.616 3.379 18701 56 1 10 "Average Difference" HA 153 0.343 0.035 0.343 18701 57 1 10 "Average Difference" C 145 1.111 -0.049 1.114 18701 58 1 10 "Average Difference" CA 148 1.261 -0.291 1.231 18701 59 1 10 "Average Difference" CB 142 1.550 -0.281 1.530 18701 60 1 10 "Average Difference" HN 142 0.513 -0.043 0.513 18701 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 18701 _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 ALA N N 2 126.155 126.155 122.780 3.375 18701 2 1 . 1 1 2 2 ALA HA H 2 4.342 4.342 4.635 -0.293 18701 3 1 . 1 1 2 2 ALA C C 2 177.458 177.458 175.921 1.537 18701 4 1 . 1 1 2 2 ALA CA C 2 52.816 52.816 52.172 0.644 18701 5 1 . 1 1 2 2 ALA CB C 2 19.437 19.437 19.830 -0.393 18701 6 1 . 1 1 2 2 ALA H H 2 8.404 8.404 8.005 0.399 18701 7 1 . 1 1 3 3 SER N N 3 115.406 115.406 115.224 0.182 18701 8 1 . 1 1 3 3 SER HA H 3 4.409 4.409 4.528 -0.119 18701 9 1 . 1 1 3 3 SER C C 3 174.739 174.739 174.555 0.184 18701 10 1 . 1 1 3 3 SER CA C 3 58.346 58.346 58.197 0.149 18701 11 1 . 1 1 3 3 SER CB C 3 64.207 64.207 64.281 -0.074 18701 12 1 . 1 1 3 3 SER H H 3 8.283 8.283 8.157 0.126 18701 13 1 . 1 1 4 4 GLY N N 4 110.853 110.853 108.938 1.915 18701 14 1 . 1 1 4 4 GLY C C 4 173.502 173.502 173.663 -0.161 18701 15 1 . 1 1 4 4 GLY CA C 4 45.078 45.078 44.932 0.146 18701 16 1 . 1 1 4 4 GLY H H 4 8.358 8.358 8.422 -0.064 18701 17 1 . 1 1 5 5 VAL N N 5 119.781 119.781 121.356 -1.575 18701 18 1 . 1 1 5 5 VAL HA H 5 3.883 3.883 4.070 -0.187 18701 19 1 . 1 1 5 5 VAL C C 5 175.390 175.390 175.518 -0.129 18701 20 1 . 1 1 5 5 VAL CA C 5 62.518 62.518 61.935 0.583 18701 21 1 . 1 1 5 5 VAL CB C 5 32.705 32.705 32.581 0.124 18701 22 1 . 1 1 5 5 VAL H H 5 7.836 7.836 7.672 0.164 18701 23 1 . 1 1 6 6 LYS N N 6 124.873 124.873 128.124 -3.252 18701 24 1 . 1 1 6 6 LYS HA H 6 4.469 4.469 4.430 0.039 18701 25 1 . 1 1 6 6 LYS C C 6 175.278 175.278 175.575 -0.297 18701 26 1 . 1 1 6 6 LYS CA C 6 54.927 54.927 55.087 -0.161 18701 27 1 . 1 1 6 6 LYS CB C 6 34.577 34.577 33.681 0.896 18701 28 1 . 1 1 6 6 LYS H H 6 7.988 7.988 8.379 -0.391 18701 29 1 . 1 1 7 7 VAL N N 7 122.213 122.213 118.489 3.724 18701 30 1 . 1 1 7 7 VAL HA H 7 3.883 3.883 4.213 -0.330 18701 31 1 . 1 1 7 7 VAL C C 7 175.756 175.756 174.986 0.770 18701 32 1 . 1 1 7 7 VAL CA C 7 62.334 62.334 60.527 1.807 18701 33 1 . 1 1 7 7 VAL CB C 7 32.054 32.054 32.523 -0.469 18701 34 1 . 1 1 7 7 VAL H H 7 8.757 8.757 8.187 0.570 18701 35 1 . 1 1 8 8 ASP N N 8 131.718 131.718 127.345 4.373 18701 36 1 . 1 1 8 8 ASP HA H 8 4.673 4.673 4.997 -0.324 18701 37 1 . 1 1 8 8 ASP C C 8 176.237 176.237 175.895 0.342 18701 38 1 . 1 1 8 8 ASP CA C 8 54.439 54.439 50.885 3.554 18701 39 1 . 1 1 8 8 ASP CB C 8 44.590 44.590 42.958 1.632 18701 40 1 . 1 1 8 8 ASP H H 8 8.820 8.820 8.247 0.573 18701 41 1 . 1 1 9 9 PRO HA H 9 4.384 4.384 4.297 0.087 18701 42 1 . 1 1 9 9 PRO C C 9 177.535 177.535 178.276 -0.741 18701 43 1 . 1 1 9 9 PRO CA C 9 65.509 65.509 64.785 0.725 18701 44 1 . 1 1 9 9 PRO CB C 9 32.054 32.054 32.080 -0.026 18701 45 1 . 1 1 10 10 SER N N 10 113.842 113.842 115.735 -1.893 18701 46 1 . 1 1 10 10 SER HA H 10 4.265 4.265 4.286 -0.021 18701 47 1 . 1 1 10 10 SER C C 10 177.666 177.666 176.653 1.013 18701 48 1 . 1 1 10 10 SER CA C 10 61.541 61.541 62.150 -0.609 18701 49 1 . 1 1 10 10 SER CB C 10 62.660 62.660 62.809 -0.149 18701 50 1 . 1 1 10 10 SER H H 10 8.811 8.811 8.726 0.085 18701 51 1 . 1 1 11 11 CYS N N 11 121.231 121.231 119.832 1.399 18701 52 1 . 1 1 11 11 CYS HA H 11 4.146 4.146 4.394 -0.248 18701 53 1 . 1 1 11 11 CYS C C 11 176.211 176.211 176.472 -0.261 18701 54 1 . 1 1 11 11 CYS CA C 11 62.986 62.986 62.092 0.894 18701 55 1 . 1 1 11 11 CYS CB C 11 27.496 27.496 27.476 0.020 18701 56 1 . 1 1 11 11 CYS H H 11 8.459 8.459 8.345 0.114 18701 57 1 . 1 1 12 12 LYS N N 12 119.862 119.862 121.395 -1.533 18701 58 1 . 1 1 12 12 LYS HA H 12 3.946 3.946 4.079 -0.133 18701 59 1 . 1 1 12 12 LYS C C 12 177.687 177.687 178.418 -0.731 18701 60 1 . 1 1 12 12 LYS CA C 12 59.241 59.241 58.777 0.464 18701 61 1 . 1 1 12 12 LYS CB C 12 32.461 32.461 31.886 0.575 18701 62 1 . 1 1 12 12 LYS H H 12 7.615 7.615 7.721 -0.106 18701 63 1 . 1 1 13 13 ASN N N 13 116.871 116.871 118.051 -1.180 18701 64 1 . 1 1 13 13 ASN HA H 13 4.468 4.468 4.528 -0.060 18701 65 1 . 1 1 13 13 ASN C C 13 177.297 177.297 177.309 -0.012 18701 66 1 . 1 1 13 13 ASN CA C 13 56.637 56.637 56.369 0.268 18701 67 1 . 1 1 13 13 ASN CB C 13 38.485 38.485 38.491 -0.006 18701 68 1 . 1 1 13 13 ASN H H 13 7.489 7.489 8.406 -0.917 18701 69 1 . 1 1 14 14 ALA N N 14 119.990 119.990 121.719 -1.729 18701 70 1 . 1 1 14 14 ALA HA H 14 4.241 4.241 4.213 0.027 18701 71 1 . 1 1 14 14 ALA C C 14 179.077 179.077 178.970 0.107 18701 72 1 . 1 1 14 14 ALA CA C 14 55.578 55.578 54.479 1.098 18701 73 1 . 1 1 14 14 ALA CB C 14 18.461 18.461 18.675 -0.214 18701 74 1 . 1 1 14 14 ALA H H 14 8.054 8.054 7.695 0.359 18701 75 1 . 1 1 15 15 TYR N N 15 118.280 118.280 120.065 -1.785 18701 76 1 . 1 1 15 15 TYR HA H 15 4.051 4.051 4.210 -0.159 18701 77 1 . 1 1 15 15 TYR C C 15 177.123 177.123 177.380 -0.257 18701 78 1 . 1 1 15 15 TYR CA C 15 62.741 62.741 61.672 1.069 18701 79 1 . 1 1 15 15 TYR CB C 15 39.461 39.461 38.656 0.805 18701 80 1 . 1 1 15 15 TYR H H 15 8.380 8.380 8.185 0.195 18701 81 1 . 1 1 16 16 ASP N N 16 121.008 121.008 119.559 1.450 18701 82 1 . 1 1 16 16 ASP HA H 16 4.302 4.302 4.300 0.002 18701 83 1 . 1 1 16 16 ASP C C 16 179.185 179.185 178.418 0.767 18701 84 1 . 1 1 16 16 ASP CA C 16 58.102 58.102 57.888 0.214 18701 85 1 . 1 1 16 16 ASP CB C 16 40.357 40.357 40.548 -0.191 18701 86 1 . 1 1 16 16 ASP H H 16 8.722 8.722 8.368 0.354 18701 87 1 . 1 1 17 17 LEU N N 17 119.368 119.368 118.439 0.929 18701 88 1 . 1 1 17 17 LEU HA H 17 3.867 3.867 4.072 -0.205 18701 89 1 . 1 1 17 17 LEU C C 17 178.708 178.708 178.870 -0.163 18701 90 1 . 1 1 17 17 LEU CA C 17 58.102 58.102 57.700 0.402 18701 91 1 . 1 1 17 17 LEU CB C 17 42.066 42.066 41.759 0.307 18701 92 1 . 1 1 17 17 LEU H H 17 7.477 7.477 7.555 -0.078 18701 93 1 . 1 1 18 18 LEU N N 18 121.503 121.503 116.654 4.849 18701 94 1 . 1 1 18 18 LEU HA H 18 4.098 4.098 4.338 -0.239 18701 95 1 . 1 1 18 18 LEU C C 18 176.580 176.580 178.737 -2.157 18701 96 1 . 1 1 18 18 LEU CA C 18 59.902 59.902 57.287 2.615 18701 97 1 . 1 1 18 18 LEU CB C 18 43.625 43.625 41.108 2.517 18701 98 1 . 1 1 18 18 LEU H H 18 7.762 7.762 7.666 0.096 18701 99 1 . 1 1 19 19 HIS N N 19 116.605 116.605 118.825 -2.220 18701 100 1 . 1 1 19 19 HIS HA H 19 3.741 3.741 4.096 -0.355 18701 101 1 . 1 1 19 19 HIS C C 19 174.627 174.627 176.043 -1.416 18701 102 1 . 1 1 19 19 HIS CA C 19 58.904 58.904 59.227 -0.323 18701 103 1 . 1 1 19 19 HIS CB C 19 30.019 30.019 30.057 -0.038 18701 104 1 . 1 1 19 19 HIS H H 19 8.983 8.983 8.275 0.708 18701 105 1 . 1 1 20 20 ASN N N 20 112.497 112.497 115.302 -2.805 18701 106 1 . 1 1 20 20 ASN HA H 20 4.565 4.565 4.619 -0.054 18701 107 1 . 1 1 20 20 ASN C C 20 176.624 176.624 176.251 0.373 18701 108 1 . 1 1 20 20 ASN CA C 20 54.195 54.195 54.650 -0.455 18701 109 1 . 1 1 20 20 ASN CB C 20 38.580 38.580 39.316 -0.736 18701 110 1 . 1 1 20 20 ASN H H 20 8.308 8.308 8.145 0.163 18701 111 1 . 1 1 21 21 LYS N N 21 113.544 113.544 118.702 -5.158 18701 112 1 . 1 1 21 21 LYS HA H 21 4.408 4.408 4.255 0.153 18701 113 1 . 1 1 21 21 LYS C C 21 175.669 175.669 176.560 -0.890 18701 114 1 . 1 1 21 21 LYS CA C 21 55.291 55.291 56.444 -1.153 18701 115 1 . 1 1 21 21 LYS CB C 21 33.275 33.275 32.951 0.324 18701 116 1 . 1 1 21 21 LYS H H 21 6.621 6.621 7.754 -1.133 18701 117 1 . 1 1 22 22 HIS N N 22 115.701 115.701 115.521 0.180 18701 118 1 . 1 1 22 22 HIS HA H 22 4.719 4.719 4.375 0.344 18701 119 1 . 1 1 22 22 HIS C C 22 174.670 174.670 174.861 -0.191 18701 120 1 . 1 1 22 22 HIS CA C 22 56.332 56.332 56.802 -0.470 18701 121 1 . 1 1 22 22 HIS CB C 22 25.721 25.721 27.345 -1.624 18701 122 1 . 1 1 22 22 HIS H H 22 6.838 6.838 8.019 -1.181 18701 123 1 . 1 1 23 23 GLN N N 23 114.330 114.330 116.801 -2.471 18701 124 1 . 1 1 23 23 GLN HA H 23 4.015 4.015 3.975 0.040 18701 125 1 . 1 1 23 23 GLN C C 23 174.041 174.041 174.450 -0.409 18701 126 1 . 1 1 23 23 GLN CA C 23 56.311 56.311 57.884 -1.573 18701 127 1 . 1 1 23 23 GLN CB C 23 30.685 30.685 29.502 1.183 18701 128 1 . 1 1 23 23 GLN H H 23 8.028 8.028 7.899 0.130 18701 129 1 . 1 1 24 24 HIS N N 24 111.043 111.043 112.983 -1.940 18701 130 1 . 1 1 24 24 HIS HA H 24 4.146 4.146 4.812 -0.666 18701 131 1 . 1 1 24 24 HIS C C 24 175.083 175.083 174.330 0.753 18701 132 1 . 1 1 24 24 HIS CA C 24 53.305 53.305 54.784 -1.479 18701 133 1 . 1 1 24 24 HIS CB C 24 33.845 33.845 33.143 0.702 18701 134 1 . 1 1 24 24 HIS H H 24 6.670 6.670 7.427 -0.757 18701 135 1 . 1 1 25 25 SER N N 25 115.307 115.307 115.301 0.005 18701 136 1 . 1 1 25 25 SER HA H 25 4.600 4.600 4.556 0.044 18701 137 1 . 1 1 25 25 SER C C 25 173.368 173.368 173.409 -0.041 18701 138 1 . 1 1 25 25 SER CA C 25 59.648 59.648 59.037 0.611 18701 139 1 . 1 1 25 25 SER CB C 25 64.532 64.532 65.128 -0.596 18701 140 1 . 1 1 25 25 SER H H 25 7.591 7.591 8.423 -0.832 18701 141 1 . 1 1 26 26 TYR N N 26 111.318 111.318 117.787 -6.469 18701 142 1 . 1 1 26 26 TYR HA H 26 5.354 5.354 5.408 -0.054 18701 143 1 . 1 1 26 26 TYR C C 26 173.411 173.411 173.767 -0.356 18701 144 1 . 1 1 26 26 TYR CA C 26 56.392 56.392 56.225 0.167 18701 145 1 . 1 1 26 26 TYR CB C 26 41.008 41.008 40.922 0.086 18701 146 1 . 1 1 26 26 TYR H H 26 6.635 6.635 7.418 -0.783 18701 147 1 . 1 1 27 27 ILE N N 27 119.710 119.710 122.415 -2.705 18701 148 1 . 1 1 27 27 ILE HA H 27 4.529 4.529 4.957 -0.428 18701 149 1 . 1 1 27 27 ILE C C 27 174.323 174.323 173.611 0.712 18701 150 1 . 1 1 27 27 ILE CA C 27 60.706 60.706 59.123 1.583 18701 151 1 . 1 1 27 27 ILE CB C 27 44.020 44.020 42.011 2.009 18701 152 1 . 1 1 27 27 ILE H H 27 9.191 9.191 9.015 0.176 18701 153 1 . 1 1 28 28 ILE N N 28 125.249 125.249 127.387 -2.138 18701 154 1 . 1 1 28 28 ILE HA H 28 4.804 4.804 4.761 0.043 18701 155 1 . 1 1 28 28 ILE C C 28 174.757 174.757 174.753 0.004 18701 156 1 . 1 1 28 28 ILE CA C 28 60.951 60.951 60.135 0.816 18701 157 1 . 1 1 28 28 ILE CB C 28 40.113 40.113 39.622 0.491 18701 158 1 . 1 1 28 28 ILE H H 28 9.049 9.049 9.089 -0.040 18701 159 1 . 1 1 29 29 PHE N N 29 126.153 126.153 126.656 -0.503 18701 160 1 . 1 1 29 29 PHE HA H 29 5.725 5.725 5.445 0.280 18701 161 1 . 1 1 29 29 PHE C C 29 174.193 174.193 174.616 -0.423 18701 162 1 . 1 1 29 29 PHE CA C 29 55.823 55.823 56.268 -0.445 18701 163 1 . 1 1 29 29 PHE CB C 29 42.880 42.880 42.438 0.442 18701 164 1 . 1 1 29 29 PHE H H 29 9.514 9.514 9.074 0.440 18701 165 1 . 1 1 30 30 LYS N N 30 116.531 116.531 119.593 -3.062 18701 166 1 . 1 1 30 30 LYS HA H 30 5.151 5.151 4.864 0.287 18701 167 1 . 1 1 30 30 LYS C C 30 173.411 173.411 174.611 -1.200 18701 168 1 . 1 1 30 30 LYS CA C 30 54.276 54.276 54.559 -0.283 18701 169 1 . 1 1 30 30 LYS CB C 30 37.182 37.182 36.349 0.833 18701 170 1 . 1 1 30 30 LYS H H 30 8.950 8.950 9.096 -0.146 18701 171 1 . 1 1 31 31 ILE N N 31 120.757 120.757 123.417 -2.660 18701 172 1 . 1 1 31 31 ILE HA H 31 4.684 4.684 4.599 0.085 18701 173 1 . 1 1 31 31 ILE C C 31 174.714 174.714 174.997 -0.283 18701 174 1 . 1 1 31 31 ILE CA C 31 61.846 61.846 61.224 0.622 18701 175 1 . 1 1 31 31 ILE CB C 31 37.508 37.508 38.430 -0.922 18701 176 1 . 1 1 31 31 ILE H H 31 8.256 8.256 8.742 -0.486 18701 177 1 . 1 1 32 32 ASP N N 32 130.811 130.811 129.106 1.705 18701 178 1 . 1 1 32 32 ASP HA H 32 4.445 4.445 4.943 -0.498 18701 179 1 . 1 1 32 32 ASP CA C 32 53.663 53.663 53.206 0.457 18701 180 1 . 1 1 32 32 ASP CB C 32 37.489 37.489 43.456 -5.967 18701 181 1 . 1 1 32 32 ASP H H 32 9.441 9.441 8.764 0.677 18701 182 1 . 1 1 33 33 LYS HA H 33 4.314 4.314 4.038 0.276 18701 183 1 . 1 1 33 33 LYS C C 33 174.759 174.759 175.951 -1.192 18701 184 1 . 1 1 33 33 LYS CA C 33 56.230 56.230 56.758 -0.528 18701 185 1 . 1 1 33 33 LYS CB C 33 29.205 29.205 32.338 -3.133 18701 186 1 . 1 1 34 34 ASN N N 34 117.759 117.759 120.636 -2.877 18701 187 1 . 1 1 34 34 ASN HA H 34 4.684 4.684 4.518 0.166 18701 188 1 . 1 1 34 34 ASN C C 34 174.736 174.736 175.914 -1.178 18701 189 1 . 1 1 34 34 ASN CA C 34 54.151 54.151 55.102 -0.951 18701 190 1 . 1 1 34 34 ASN CB C 34 39.624 39.624 38.400 1.224 18701 191 1 . 1 1 34 34 ASN H H 34 8.573 8.573 8.770 -0.197 18701 192 1 . 1 1 35 35 ASP N N 35 115.713 115.713 117.897 -2.184 18701 193 1 . 1 1 35 35 ASP C C 35 175.586 175.586 175.223 0.363 18701 194 1 . 1 1 35 35 ASP CA C 35 54.043 54.043 53.730 0.313 18701 195 1 . 1 1 35 35 ASP CB C 35 42.091 42.091 40.608 1.483 18701 196 1 . 1 1 35 35 ASP H H 35 8.134 8.134 8.077 0.057 18701 197 1 . 1 1 36 36 THR HA H 36 4.565 4.565 4.024 0.541 18701 198 1 . 1 1 36 36 THR C C 36 175.517 175.517 172.921 2.596 18701 199 1 . 1 1 36 36 THR CA C 36 62.579 62.579 63.242 -0.662 18701 200 1 . 1 1 36 36 THR CB C 36 71.858 71.858 67.334 4.524 18701 201 1 . 1 1 37 37 ALA N N 37 124.761 124.761 127.238 -2.477 18701 202 1 . 1 1 37 37 ALA HA H 37 5.498 5.498 5.349 0.149 18701 203 1 . 1 1 37 37 ALA C C 37 175.300 175.300 175.665 -0.365 18701 204 1 . 1 1 37 37 ALA CA C 37 51.481 51.481 50.630 0.851 18701 205 1 . 1 1 37 37 ALA CB C 37 22.612 22.612 22.797 -0.185 18701 206 1 . 1 1 37 37 ALA H H 37 8.054 8.054 8.465 -0.411 18701 207 1 . 1 1 38 38 ILE N N 38 121.171 121.171 122.913 -1.742 18701 208 1 . 1 1 38 38 ILE HA H 38 4.667 4.667 4.739 -0.072 18701 209 1 . 1 1 38 38 ILE C C 38 174.301 174.301 175.184 -0.883 18701 210 1 . 1 1 38 38 ILE CA C 38 61.439 61.439 62.034 -0.595 18701 211 1 . 1 1 38 38 ILE CB C 38 39.217 39.217 38.342 0.875 18701 212 1 . 1 1 38 38 ILE H H 38 8.623 8.623 8.431 0.192 18701 213 1 . 1 1 39 39 VAL N N 39 118.121 118.121 126.739 -8.618 18701 214 1 . 1 1 39 39 VAL HA H 39 4.673 4.673 4.672 0.001 18701 215 1 . 1 1 39 39 VAL C C 39 174.974 174.974 174.315 0.659 18701 216 1 . 1 1 39 39 VAL CA C 39 59.078 59.078 59.102 -0.024 18701 217 1 . 1 1 39 39 VAL CB C 39 35.473 35.473 36.721 -1.248 18701 218 1 . 1 1 39 39 VAL H H 39 9.083 9.083 8.939 0.144 18701 219 1 . 1 1 40 40 VAL N N 40 121.315 121.315 123.880 -2.565 18701 220 1 . 1 1 40 40 VAL HA H 40 3.788 3.788 4.192 -0.404 18701 221 1 . 1 1 40 40 VAL C C 40 175.300 175.300 175.676 -0.377 18701 222 1 . 1 1 40 40 VAL CA C 40 63.800 63.800 63.688 0.111 18701 223 1 . 1 1 40 40 VAL CB C 40 32.624 32.624 31.461 1.163 18701 224 1 . 1 1 40 40 VAL H H 40 8.345 8.345 8.638 -0.293 18701 225 1 . 1 1 41 41 GLU N N 41 130.920 130.920 128.546 2.375 18701 226 1 . 1 1 41 41 GLU HA H 41 4.409 4.409 4.427 -0.018 18701 227 1 . 1 1 41 41 GLU C C 41 175.647 175.647 176.140 -0.493 18701 228 1 . 1 1 41 41 GLU CA C 41 57.206 57.206 57.425 -0.219 18701 229 1 . 1 1 41 41 GLU CB C 41 33.517 33.517 31.632 1.885 18701 230 1 . 1 1 41 41 GLU H H 41 9.388 9.388 9.103 0.285 18701 231 1 . 1 1 42 42 LYS N N 42 115.836 115.836 118.937 -3.101 18701 232 1 . 1 1 42 42 LYS HA H 42 4.654 4.654 4.539 0.115 18701 233 1 . 1 1 42 42 LYS C C 42 173.715 173.715 173.959 -0.244 18701 234 1 . 1 1 42 42 LYS CA C 42 54.520 54.520 55.396 -0.876 18701 235 1 . 1 1 42 42 LYS CB C 42 36.857 36.857 35.665 1.192 18701 236 1 . 1 1 42 42 LYS H H 42 7.523 7.523 7.722 -0.198 18701 237 1 . 1 1 43 43 VAL N N 43 118.472 118.472 123.648 -5.176 18701 238 1 . 1 1 43 43 VAL HA H 43 4.445 4.445 4.682 -0.237 18701 239 1 . 1 1 43 43 VAL C C 43 174.931 174.931 174.826 0.105 18701 240 1 . 1 1 43 43 VAL CA C 43 59.648 59.648 59.672 -0.024 18701 241 1 . 1 1 43 43 VAL CB C 43 34.170 34.170 34.249 -0.079 18701 242 1 . 1 1 43 43 VAL H H 43 8.315 8.315 8.377 -0.062 18701 243 1 . 1 1 44 44 GLY N N 44 112.479 112.479 114.564 -2.085 18701 244 1 . 1 1 44 44 GLY C C 44 174.149 174.149 173.196 0.953 18701 245 1 . 1 1 44 44 GLY CA C 44 43.384 43.384 43.419 -0.035 18701 246 1 . 1 1 44 44 GLY H H 44 7.953 7.953 8.759 -0.806 18701 247 1 . 1 1 45 45 GLU N N 45 122.999 122.999 121.477 1.522 18701 248 1 . 1 1 45 45 GLU HA H 45 4.419 4.419 4.480 -0.061 18701 249 1 . 1 1 45 45 GLU C C 45 175.365 175.365 178.071 -2.706 18701 250 1 . 1 1 45 45 GLU CA C 45 56.392 56.392 55.648 0.744 18701 251 1 . 1 1 45 45 GLU CB C 45 30.670 30.670 30.773 -0.103 18701 252 1 . 1 1 45 45 GLU H H 45 8.949 8.949 8.578 0.371 18701 253 1 . 1 1 48 48 ALA N N 48 124.687 124.687 124.818 -0.131 18701 254 1 . 1 1 48 48 ALA HA H 48 4.421 4.421 4.722 -0.301 18701 255 1 . 1 1 48 48 ALA C C 48 176.210 176.210 175.078 1.132 18701 256 1 . 1 1 48 48 ALA CA C 48 51.508 51.508 49.738 1.770 18701 257 1 . 1 1 48 48 ALA CB C 48 17.647 17.647 19.454 -1.807 18701 258 1 . 1 1 48 48 ALA H H 48 7.627 7.627 7.555 0.072 18701 259 1 . 1 1 49 49 PRO HA H 49 4.649 4.649 4.585 0.064 18701 260 1 . 1 1 49 49 PRO C C 49 177.535 177.535 177.142 0.393 18701 261 1 . 1 1 49 49 PRO CA C 49 62.497 62.497 62.177 0.320 18701 262 1 . 1 1 49 49 PRO CB C 49 32.136 32.136 32.546 -0.410 18701 263 1 . 1 1 50 50 TYR N N 50 127.091 127.091 119.846 7.245 18701 264 1 . 1 1 50 50 TYR HA H 50 4.061 4.061 4.218 -0.158 18701 265 1 . 1 1 50 50 TYR C C 50 177.427 177.427 177.426 0.001 18701 266 1 . 1 1 50 50 TYR CA C 50 62.660 62.660 61.039 1.621 18701 267 1 . 1 1 50 50 TYR CB C 50 38.240 38.240 37.050 1.190 18701 268 1 . 1 1 50 50 TYR H H 50 9.065 9.065 8.578 0.487 18701 269 1 . 1 1 51 51 ALA N N 51 117.547 117.547 122.043 -4.496 18701 270 1 . 1 1 51 51 ALA HA H 51 4.075 4.075 3.875 0.200 18701 271 1 . 1 1 51 51 ALA C C 51 179.836 179.836 179.469 0.367 18701 272 1 . 1 1 51 51 ALA CA C 51 55.009 55.009 54.906 0.103 18701 273 1 . 1 1 51 51 ALA CB C 51 19.030 19.030 17.723 1.307 18701 274 1 . 1 1 51 51 ALA H H 51 8.910 8.910 8.043 0.867 18701 275 1 . 1 1 52 52 GLU N N 52 117.688 117.688 119.079 -1.391 18701 276 1 . 1 1 52 52 GLU HA H 52 4.026 4.026 4.053 -0.027 18701 277 1 . 1 1 52 52 GLU C C 52 177.970 177.970 178.585 -0.615 18701 278 1 . 1 1 52 52 GLU CA C 52 59.241 59.241 58.926 0.315 18701 279 1 . 1 1 52 52 GLU CB C 52 29.775 29.775 29.529 0.246 18701 280 1 . 1 1 52 52 GLU H H 52 7.708 7.708 7.831 -0.123 18701 281 1 . 1 1 53 53 PHE N N 53 120.303 120.303 120.405 -0.102 18701 282 1 . 1 1 53 53 PHE HA H 53 2.974 2.974 3.934 -0.960 18701 283 1 . 1 1 53 53 PHE C C 53 175.582 175.582 177.232 -1.650 18701 284 1 . 1 1 53 53 PHE CA C 53 59.892 59.892 60.820 -0.928 18701 285 1 . 1 1 53 53 PHE CB C 53 36.694 36.694 38.708 -2.014 18701 286 1 . 1 1 53 53 PHE H H 53 6.778 6.778 7.630 -0.852 18701 287 1 . 1 1 54 54 VAL N N 54 117.631 117.631 118.911 -1.280 18701 288 1 . 1 1 54 54 VAL HA H 54 2.351 2.351 3.279 -0.928 18701 289 1 . 1 1 54 54 VAL C C 54 177.101 177.101 177.965 -0.864 18701 290 1 . 1 1 54 54 VAL CA C 54 66.893 66.893 66.403 0.490 18701 291 1 . 1 1 54 54 VAL CB C 54 31.484 31.484 31.133 0.351 18701 292 1 . 1 1 54 54 VAL H H 54 7.104 7.104 8.001 -0.897 18701 293 1 . 1 1 55 55 GLU N N 55 118.253 118.253 119.494 -1.241 18701 294 1 . 1 1 55 55 GLU HA H 55 3.740 3.740 3.916 -0.175 18701 295 1 . 1 1 55 55 GLU C C 55 178.859 178.859 179.178 -0.319 18701 296 1 . 1 1 55 55 GLU CA C 55 58.916 58.916 59.602 -0.686 18701 297 1 . 1 1 55 55 GLU CB C 55 29.287 29.287 29.078 0.209 18701 298 1 . 1 1 55 55 GLU H H 55 7.592 7.592 8.105 -0.513 18701 299 1 . 1 1 56 56 GLU N N 56 118.908 118.908 118.316 0.592 18701 300 1 . 1 1 56 56 GLU HA H 56 3.847 3.847 4.043 -0.196 18701 301 1 . 1 1 56 56 GLU C C 56 179.272 179.272 178.529 0.743 18701 302 1 . 1 1 56 56 GLU CA C 56 58.834 58.834 58.664 0.170 18701 303 1 . 1 1 56 56 GLU CB C 56 28.635 28.635 29.309 -0.674 18701 304 1 . 1 1 56 56 GLU H H 56 8.002 8.002 8.030 -0.029 18701 305 1 . 1 1 57 57 MET N N 57 117.937 117.937 118.345 -0.408 18701 306 1 . 1 1 57 57 MET HA H 57 3.799 3.799 4.232 -0.433 18701 307 1 . 1 1 57 57 MET C C 57 177.514 177.514 177.516 -0.002 18701 308 1 . 1 1 57 57 MET CA C 57 57.044 57.044 57.508 -0.464 18701 309 1 . 1 1 57 57 MET CB C 57 30.263 30.263 32.789 -2.526 18701 310 1 . 1 1 57 57 MET H H 57 7.838 7.838 7.344 0.495 18701 311 1 . 1 1 58 58 LYS N N 58 119.343 119.343 120.422 -1.079 18701 312 1 . 1 1 58 58 LYS HA H 58 3.619 3.619 3.844 -0.225 18701 313 1 . 1 1 58 58 LYS C C 58 178.339 178.339 178.595 -0.256 18701 314 1 . 1 1 58 58 LYS CA C 58 60.218 60.218 59.539 0.679 18701 315 1 . 1 1 58 58 LYS CB C 58 32.787 32.787 32.039 0.748 18701 316 1 . 1 1 58 58 LYS H H 58 8.341 8.341 8.363 -0.022 18701 317 1 . 1 1 59 59 LYS N N 59 114.611 114.611 116.266 -1.655 18701 318 1 . 1 1 59 59 LYS HA H 59 3.894 3.894 4.272 -0.378 18701 319 1 . 1 1 59 59 LYS C C 59 178.404 178.404 178.148 0.256 18701 320 1 . 1 1 59 59 LYS CA C 59 58.916 58.916 58.506 0.410 18701 321 1 . 1 1 59 59 LYS CB C 59 32.787 32.787 31.869 0.918 18701 322 1 . 1 1 59 59 LYS H H 59 7.126 7.126 7.732 -0.606 18701 323 1 . 1 1 60 60 LEU N N 60 117.334 117.334 118.635 -1.301 18701 324 1 . 1 1 60 60 LEU HA H 60 4.134 4.134 4.266 -0.132 18701 325 1 . 1 1 60 60 LEU C C 60 179.619 179.619 178.516 1.103 18701 326 1 . 1 1 60 60 LEU CA C 60 56.718 56.718 56.684 0.034 18701 327 1 . 1 1 60 60 LEU CB C 60 43.124 43.124 42.377 0.747 18701 328 1 . 1 1 60 60 LEU H H 60 7.343 7.343 7.409 -0.066 18701 329 1 . 1 1 61 61 VAL N N 61 108.515 108.515 118.904 -10.388 18701 330 1 . 1 1 61 61 VAL HA H 61 4.444 4.444 3.755 0.689 18701 331 1 . 1 1 61 61 VAL C C 61 177.753 177.753 177.782 -0.029 18701 332 1 . 1 1 61 61 VAL CA C 61 61.113 61.113 65.675 -4.562 18701 333 1 . 1 1 61 61 VAL CB C 61 31.973 31.973 31.450 0.523 18701 334 1 . 1 1 61 61 VAL H H 61 7.730 7.730 7.810 -0.080 18701 335 1 . 1 1 62 62 GLU N N 62 123.907 123.907 118.838 5.069 18701 336 1 . 1 1 62 62 GLU HA H 62 4.026 4.026 4.022 0.004 18701 337 1 . 1 1 62 62 GLU C C 62 176.602 176.602 177.258 -0.656 18701 338 1 . 1 1 62 62 GLU CA C 62 59.241 59.241 58.417 0.824 18701 339 1 . 1 1 62 62 GLU CB C 62 29.205 29.205 29.030 0.175 18701 340 1 . 1 1 62 62 GLU H H 62 7.583 7.583 7.987 -0.404 18701 341 1 . 1 1 63 63 ASP N N 63 118.203 118.203 119.029 -0.826 18701 342 1 . 1 1 63 63 ASP HA H 63 4.374 4.374 4.504 -0.130 18701 343 1 . 1 1 63 63 ASP C C 63 177.557 177.557 176.775 0.782 18701 344 1 . 1 1 63 63 ASP CA C 63 54.927 54.927 54.812 0.115 18701 345 1 . 1 1 63 63 ASP CB C 63 40.031 40.031 41.546 -1.515 18701 346 1 . 1 1 63 63 ASP H H 63 8.584 8.584 7.707 0.877 18701 347 1 . 1 1 64 64 GLY N N 64 107.534 107.534 107.740 -0.206 18701 348 1 . 1 1 64 64 GLY C C 64 173.281 173.281 173.465 -0.185 18701 349 1 . 1 1 64 64 GLY CA C 64 46.317 46.317 45.411 0.906 18701 350 1 . 1 1 64 64 GLY H H 64 8.036 8.036 7.907 0.129 18701 351 1 . 1 1 65 65 LYS N N 65 115.632 115.632 121.865 -6.233 18701 352 1 . 1 1 65 65 LYS HA H 65 4.206 4.206 4.369 -0.163 18701 353 1 . 1 1 65 65 LYS C C 65 176.233 176.233 175.393 0.840 18701 354 1 . 1 1 65 65 LYS CA C 65 56.473 56.473 55.626 0.847 18701 355 1 . 1 1 65 65 LYS CB C 65 34.051 34.051 31.928 2.123 18701 356 1 . 1 1 65 65 LYS H H 65 8.197 8.197 8.287 -0.090 18701 357 1 . 1 1 66 66 GLU N N 66 118.786 118.786 121.370 -2.584 18701 358 1 . 1 1 66 66 GLU HA H 66 4.254 4.254 4.414 -0.160 18701 359 1 . 1 1 66 66 GLU C C 66 174.063 174.063 175.189 -1.126 18701 360 1 . 1 1 66 66 GLU CA C 66 55.823 55.823 55.356 0.467 18701 361 1 . 1 1 66 66 GLU CB C 66 33.031 33.031 31.496 1.535 18701 362 1 . 1 1 66 66 GLU H H 66 7.775 7.775 8.134 -0.359 18701 363 1 . 1 1 67 67 CYS N N 67 114.372 114.372 120.495 -6.123 18701 364 1 . 1 1 67 67 CYS HA H 67 4.206 4.206 4.889 -0.683 18701 365 1 . 1 1 67 67 CYS C C 67 175.517 175.517 173.526 1.991 18701 366 1 . 1 1 67 67 CYS CA C 67 56.431 56.431 57.218 -0.787 18701 367 1 . 1 1 67 67 CYS CB C 67 29.465 29.465 30.122 -0.657 18701 368 1 . 1 1 67 67 CYS H H 67 7.586 7.586 8.457 -0.871 18701 369 1 . 1 1 68 68 ARG N N 68 117.544 117.544 122.321 -4.777 18701 370 1 . 1 1 68 68 ARG HA H 68 4.406 4.406 4.694 -0.287 18701 371 1 . 1 1 68 68 ARG C C 68 176.624 176.624 174.558 2.066 18701 372 1 . 1 1 68 68 ARG CA C 68 55.334 55.334 54.533 0.801 18701 373 1 . 1 1 68 68 ARG CB C 68 32.376 32.376 32.826 -0.450 18701 374 1 . 1 1 68 68 ARG H H 68 7.682 7.682 8.567 -0.885 18701 375 1 . 1 1 69 69 TYR N N 69 115.996 115.996 122.016 -6.020 18701 376 1 . 1 1 69 69 TYR HA H 69 5.819 5.819 5.017 0.802 18701 377 1 . 1 1 69 69 TYR C C 69 175.300 175.300 174.621 0.679 18701 378 1 . 1 1 69 69 TYR CA C 69 54.379 54.379 56.879 -2.500 18701 379 1 . 1 1 69 69 TYR CB C 69 41.998 41.998 40.532 1.466 18701 380 1 . 1 1 69 69 TYR H H 69 8.139 8.139 8.687 -0.548 18701 381 1 . 1 1 70 70 ALA N N 70 121.451 121.451 124.830 -3.379 18701 382 1 . 1 1 70 70 ALA HA H 70 5.736 5.736 5.288 0.448 18701 383 1 . 1 1 70 70 ALA C C 70 174.367 174.367 174.969 -0.602 18701 384 1 . 1 1 70 70 ALA CA C 70 52.458 52.458 50.429 2.029 18701 385 1 . 1 1 70 70 ALA CB C 70 24.158 24.158 22.722 1.436 18701 386 1 . 1 1 70 70 ALA H H 70 9.334 9.334 8.536 0.798 18701 387 1 . 1 1 71 71 ALA N N 71 121.815 121.815 126.441 -4.626 18701 388 1 . 1 1 71 71 ALA HA H 71 5.868 5.868 5.747 0.121 18701 389 1 . 1 1 71 71 ALA C C 71 175.495 175.495 175.276 0.219 18701 390 1 . 1 1 71 71 ALA CA C 71 51.091 51.091 50.312 0.779 18701 391 1 . 1 1 71 71 ALA CB C 71 21.554 21.554 22.538 -0.984 18701 392 1 . 1 1 71 71 ALA H H 71 9.059 9.059 9.069 -0.010 18701 393 1 . 1 1 72 72 VAL N N 72 120.963 120.963 123.944 -2.981 18701 394 1 . 1 1 72 72 VAL HA H 72 4.505 4.505 4.997 -0.492 18701 395 1 . 1 1 72 72 VAL C C 72 173.194 173.194 173.666 -0.472 18701 396 1 . 1 1 72 72 VAL CA C 72 61.276 61.276 60.141 1.135 18701 397 1 . 1 1 72 72 VAL CB C 72 35.066 35.066 35.819 -0.753 18701 398 1 . 1 1 72 72 VAL H H 72 8.665 8.665 8.668 -0.003 18701 399 1 . 1 1 73 73 ASP N N 73 128.360 128.360 129.666 -1.306 18701 400 1 . 1 1 73 73 ASP HA H 73 4.971 4.971 5.188 -0.217 18701 401 1 . 1 1 73 73 ASP C C 73 175.256 175.256 174.290 0.966 18701 402 1 . 1 1 73 73 ASP CA C 73 53.891 53.891 53.151 0.740 18701 403 1 . 1 1 73 73 ASP CB C 73 41.659 41.659 42.728 -1.069 18701 404 1 . 1 1 73 73 ASP H H 73 8.896 8.896 8.735 0.161 18701 405 1 . 1 1 74 74 VAL N N 74 127.568 127.568 123.809 3.759 18701 406 1 . 1 1 74 74 VAL HA H 74 4.194 4.194 4.550 -0.355 18701 407 1 . 1 1 74 74 VAL C C 74 173.846 173.846 173.773 0.073 18701 408 1 . 1 1 74 74 VAL CA C 74 61.846 61.846 59.637 2.209 18701 409 1 . 1 1 74 74 VAL CB C 74 33.682 33.682 35.872 -2.190 18701 410 1 . 1 1 74 74 VAL H H 74 9.232 9.232 8.237 0.995 18701 411 1 . 1 1 75 75 GLU N N 75 126.833 126.833 128.105 -1.272 18701 412 1 . 1 1 75 75 GLU HA H 75 4.839 4.839 4.739 0.100 18701 413 1 . 1 1 75 75 GLU C C 75 175.799 175.799 175.118 0.681 18701 414 1 . 1 1 75 75 GLU CA C 75 55.578 55.578 54.541 1.037 18701 415 1 . 1 1 75 75 GLU CB C 75 31.647 31.647 29.147 2.500 18701 416 1 . 1 1 75 75 GLU H H 75 8.560 8.560 8.585 -0.025 18701 417 1 . 1 1 76 76 VAL N N 76 123.421 123.421 125.954 -2.533 18701 418 1 . 1 1 76 76 VAL HA H 76 4.432 4.432 4.262 0.170 18701 419 1 . 1 1 76 76 VAL C C 76 174.562 174.562 175.555 -0.993 18701 420 1 . 1 1 76 76 VAL CA C 76 60.462 60.462 61.150 -0.688 18701 421 1 . 1 1 76 76 VAL CB C 76 34.822 34.822 33.047 1.775 18701 422 1 . 1 1 76 76 VAL H H 76 9.032 9.032 8.325 0.707 18701 423 1 . 1 1 77 77 THR N N 77 120.606 120.606 121.707 -1.101 18701 424 1 . 1 1 77 77 THR HA H 77 4.876 4.876 4.622 0.254 18701 425 1 . 1 1 77 77 THR C C 77 173.998 173.998 173.885 0.113 18701 426 1 . 1 1 77 77 THR CA C 77 62.172 62.172 61.636 0.536 18701 427 1 . 1 1 77 77 THR CB C 77 70.067 70.067 68.584 1.483 18701 428 1 . 1 1 77 77 THR H H 77 8.402 8.402 8.457 -0.055 18701 429 1 . 1 1 78 78 VAL N N 78 122.942 122.942 125.526 -2.584 18701 430 1 . 1 1 78 78 VAL HA H 78 4.384 4.384 4.504 -0.120 18701 431 1 . 1 1 78 78 VAL C C 78 174.605 174.605 174.131 0.474 18701 432 1 . 1 1 78 78 VAL CA C 78 60.218 60.218 59.804 0.414 18701 433 1 . 1 1 78 78 VAL CB C 78 34.740 34.740 35.340 -0.600 18701 434 1 . 1 1 78 78 VAL H H 78 8.781 8.781 8.803 -0.022 18701 435 1 . 1 1 79 79 GLN N N 79 123.562 123.562 123.167 0.395 18701 436 1 . 1 1 79 79 GLN HA H 79 4.380 4.380 4.568 -0.188 18701 437 1 . 1 1 79 79 GLN C C 79 175.647 175.647 174.979 0.668 18701 438 1 . 1 1 79 79 GLN CA C 79 55.578 55.578 55.563 0.015 18701 439 1 . 1 1 79 79 GLN CB C 79 29.531 29.531 29.188 0.343 18701 440 1 . 1 1 79 79 GLN H H 79 8.527 8.527 8.556 -0.029 18701 441 1 . 1 1 80 80 ARG N N 80 125.030 125.030 124.598 0.432 18701 442 1 . 1 1 80 80 ARG HA H 80 4.277 4.277 4.678 -0.401 18701 443 1 . 1 1 80 80 ARG C C 80 175.864 175.864 175.240 0.624 18701 444 1 . 1 1 80 80 ARG CA C 80 55.904 55.904 53.781 2.123 18701 445 1 . 1 1 80 80 ARG CB C 80 31.322 31.322 32.527 -1.205 18701 446 1 . 1 1 80 80 ARG H H 80 8.516 8.516 8.306 0.209 18701 447 1 . 1 1 81 81 GLN N N 81 122.473 122.473 119.943 2.530 18701 448 1 . 1 1 81 81 GLN HA H 81 4.205 4.205 4.193 0.012 18701 449 1 . 1 1 81 81 GLN C C 81 176.776 176.776 176.931 -0.155 18701 450 1 . 1 1 81 81 GLN CA C 81 56.625 56.625 57.206 -0.581 18701 451 1 . 1 1 81 81 GLN CB C 81 28.880 28.880 28.779 0.101 18701 452 1 . 1 1 81 81 GLN H H 81 8.609 8.609 8.606 0.003 18701 453 1 . 1 1 82 82 GLY N N 82 112.685 112.685 109.951 2.734 18701 454 1 . 1 1 82 82 GLY C C 82 173.498 173.498 173.220 0.278 18701 455 1 . 1 1 82 82 GLY CA C 82 45.729 45.729 44.895 0.834 18701 456 1 . 1 1 82 82 GLY H H 82 8.766 8.766 8.714 0.052 18701 457 1 . 1 1 83 83 ALA N N 83 123.093 123.093 124.134 -1.041 18701 458 1 . 1 1 83 83 ALA HA H 83 4.409 4.409 4.613 -0.204 18701 459 1 . 1 1 83 83 ALA C C 83 176.971 176.971 175.897 1.074 18701 460 1 . 1 1 83 83 ALA CA C 83 52.165 52.165 51.557 0.608 18701 461 1 . 1 1 83 83 ALA CB C 83 20.251 20.251 20.265 -0.014 18701 462 1 . 1 1 83 83 ALA H H 83 7.965 7.965 7.690 0.275 18701 463 1 . 1 1 84 84 GLU N N 84 118.929 118.929 121.017 -2.088 18701 464 1 . 1 1 84 84 GLU HA H 84 4.254 4.254 4.234 0.020 18701 465 1 . 1 1 84 84 GLU C C 84 176.928 176.928 176.220 0.708 18701 466 1 . 1 1 84 84 GLU CA C 84 57.044 57.044 56.691 0.353 18701 467 1 . 1 1 84 84 GLU CB C 84 30.426 30.426 29.276 1.150 18701 468 1 . 1 1 84 84 GLU H H 84 8.390 8.390 8.503 -0.113 18701 469 1 . 1 1 85 85 GLY N N 85 109.042 109.042 111.097 -2.055 18701 470 1 . 1 1 85 85 GLY C C 85 173.607 173.607 173.270 0.337 18701 471 1 . 1 1 85 85 GLY CA C 85 44.997 44.997 45.216 -0.219 18701 472 1 . 1 1 85 85 GLY H H 85 8.220 8.220 8.180 0.040 18701 473 1 . 1 1 86 86 THR N N 86 112.014 112.014 114.918 -2.904 18701 474 1 . 1 1 86 86 THR HA H 86 4.792 4.792 4.535 0.257 18701 475 1 . 1 1 86 86 THR C C 86 174.280 174.280 173.563 0.717 18701 476 1 . 1 1 86 86 THR CA C 86 61.113 61.113 61.710 -0.597 18701 477 1 . 1 1 86 86 THR CB C 86 71.532 71.532 69.458 2.074 18701 478 1 . 1 1 86 86 THR H H 86 8.172 8.172 7.888 0.284 18701 479 1 . 1 1 87 87 SER N N 87 117.161 117.161 122.466 -5.305 18701 480 1 . 1 1 87 87 SER HA H 87 4.744 4.744 4.676 0.068 18701 481 1 . 1 1 87 87 SER C C 87 172.956 172.956 173.629 -0.673 18701 482 1 . 1 1 87 87 SER CA C 87 57.532 57.532 56.986 0.546 18701 483 1 . 1 1 87 87 SER CB C 87 65.428 65.428 64.015 1.413 18701 484 1 . 1 1 87 87 SER H H 87 8.782 8.782 8.934 -0.152 18701 485 1 . 1 1 88 88 THR N N 88 116.763 116.763 122.340 -5.577 18701 486 1 . 1 1 88 88 THR HA H 88 5.151 5.151 4.816 0.335 18701 487 1 . 1 1 88 88 THR C C 88 173.650 173.650 173.955 -0.305 18701 488 1 . 1 1 88 88 THR CA C 88 61.439 61.439 61.582 -0.143 18701 489 1 . 1 1 88 88 THR CB C 88 71.125 71.125 69.285 1.840 18701 490 1 . 1 1 88 88 THR H H 88 8.404 8.404 8.531 -0.127 18701 491 1 . 1 1 89 89 LEU N N 89 126.308 126.308 128.740 -2.432 18701 492 1 . 1 1 89 89 LEU HA H 89 4.612 4.612 4.622 -0.010 18701 493 1 . 1 1 89 89 LEU C C 89 174.171 174.171 175.504 -1.333 18701 494 1 . 1 1 89 89 LEU CA C 89 54.184 54.184 53.732 0.452 18701 495 1 . 1 1 89 89 LEU CB C 89 45.078 45.078 44.178 0.900 18701 496 1 . 1 1 89 89 LEU H H 89 9.039 9.039 8.198 0.840 18701 497 1 . 1 1 90 90 ASN N N 90 120.749 120.749 121.921 -1.172 18701 498 1 . 1 1 90 90 ASN HA H 90 5.641 5.641 5.013 0.628 18701 499 1 . 1 1 90 90 ASN C C 90 174.757 174.757 174.838 -0.081 18701 500 1 . 1 1 90 90 ASN CA C 90 53.381 53.381 52.539 0.842 18701 501 1 . 1 1 90 90 ASN CB C 90 40.764 40.764 39.297 1.467 18701 502 1 . 1 1 90 90 ASN H H 90 8.347 8.347 8.697 -0.350 18701 503 1 . 1 1 91 91 LYS N N 91 123.843 123.843 123.964 -0.121 18701 504 1 . 1 1 91 91 LYS HA H 91 4.696 4.696 4.738 -0.042 18701 505 1 . 1 1 91 91 LYS C C 91 173.629 173.629 175.011 -1.382 18701 506 1 . 1 1 91 91 LYS CA C 91 54.314 54.314 54.236 0.078 18701 507 1 . 1 1 91 91 LYS CB C 91 36.531 36.531 35.387 1.144 18701 508 1 . 1 1 91 91 LYS H H 91 9.087 9.087 8.554 0.533 18701 509 1 . 1 1 92 92 VAL N N 92 123.150 123.150 126.298 -3.148 18701 510 1 . 1 1 92 92 VAL HA H 92 5.103 5.103 4.571 0.532 18701 511 1 . 1 1 92 92 VAL C C 92 175.517 175.517 175.014 0.503 18701 512 1 . 1 1 92 92 VAL CA C 92 61.683 61.683 61.633 0.050 18701 513 1 . 1 1 92 92 VAL CB C 92 31.973 31.973 32.576 -0.603 18701 514 1 . 1 1 92 92 VAL H H 92 8.479 8.479 8.758 -0.279 18701 515 1 . 1 1 93 93 ILE N N 93 120.433 120.433 128.815 -8.382 18701 516 1 . 1 1 93 93 ILE HA H 93 5.354 5.354 4.710 0.644 18701 517 1 . 1 1 93 93 ILE C C 93 174.215 174.215 173.676 0.539 18701 518 1 . 1 1 93 93 ILE CA C 93 59.262 59.262 59.548 -0.286 18701 519 1 . 1 1 93 93 ILE CB C 93 41.008 41.008 41.181 -0.173 18701 520 1 . 1 1 93 93 ILE H H 93 9.155 9.155 8.706 0.449 18701 521 1 . 1 1 94 94 PHE N N 94 122.349 122.349 128.508 -6.159 18701 522 1 . 1 1 94 94 PHE HA H 94 5.581 5.581 5.352 0.229 18701 523 1 . 1 1 94 94 PHE C C 94 173.042 173.042 173.881 -0.839 18701 524 1 . 1 1 94 94 PHE CA C 94 56.397 56.397 55.581 0.816 18701 525 1 . 1 1 94 94 PHE CB C 94 42.392 42.392 40.946 1.446 18701 526 1 . 1 1 94 94 PHE H H 94 9.002 9.002 8.872 0.130 18701 527 1 . 1 1 95 95 VAL N N 95 126.937 126.937 127.715 -0.778 18701 528 1 . 1 1 95 95 VAL HA H 95 4.706 4.706 4.812 -0.106 18701 529 1 . 1 1 95 95 VAL C C 95 174.128 174.128 174.702 -0.574 18701 530 1 . 1 1 95 95 VAL CA C 95 60.508 60.508 60.413 0.095 18701 531 1 . 1 1 95 95 VAL CB C 95 35.554 35.554 32.640 2.914 18701 532 1 . 1 1 95 95 VAL H H 95 8.978 8.978 9.079 -0.101 18701 533 1 . 1 1 96 96 GLN N N 96 124.946 124.946 126.954 -2.008 18701 534 1 . 1 1 96 96 GLN HA H 96 4.732 4.732 4.287 0.445 18701 535 1 . 1 1 96 96 GLN C C 96 172.912 172.912 174.648 -1.736 18701 536 1 . 1 1 96 96 GLN CA C 96 55.421 55.421 54.535 0.886 18701 537 1 . 1 1 96 96 GLN CB C 96 31.403 31.403 29.293 2.110 18701 538 1 . 1 1 96 96 GLN H H 96 8.516 8.516 8.619 -0.103 18701 539 1 . 1 1 97 97 TYR N N 97 129.236 129.236 127.425 1.811 18701 540 1 . 1 1 97 97 TYR HA H 97 5.019 5.019 5.182 -0.163 18701 541 1 . 1 1 97 97 TYR C C 97 174.844 174.844 174.649 0.195 18701 542 1 . 1 1 97 97 TYR CA C 97 57.244 57.244 57.231 0.013 18701 543 1 . 1 1 97 97 TYR CB C 97 41.252 41.252 39.096 2.156 18701 544 1 . 1 1 97 97 TYR H H 97 9.030 9.030 8.632 0.397 18701 545 1 . 1 1 98 98 CYS N N 98 127.084 127.084 124.254 2.830 18701 546 1 . 1 1 98 98 CYS HA H 98 4.732 4.732 4.754 -0.022 18701 547 1 . 1 1 98 98 CYS CA C 98 54.602 54.602 55.630 -1.028 18701 548 1 . 1 1 98 98 CYS CB C 98 29.042 29.042 29.968 -0.926 18701 549 1 . 1 1 98 98 CYS H H 98 8.227 8.227 8.927 -0.700 18701 550 1 . 1 1 99 99 PRO HA H 99 4.743 4.743 4.444 0.299 18701 551 1 . 1 1 99 99 PRO C C 99 177.492 177.492 176.893 0.599 18701 552 1 . 1 1 99 99 PRO CA C 99 62.579 62.579 62.695 -0.116 18701 553 1 . 1 1 99 99 PRO CB C 99 32.461 32.461 32.670 -0.209 18701 554 1 . 1 1 100 100 ASP N N 100 120.420 120.420 120.095 0.325 18701 555 1 . 1 1 100 100 ASP HA H 100 4.218 4.218 4.399 -0.181 18701 556 1 . 1 1 100 100 ASP C C 100 176.993 176.993 176.598 0.395 18701 557 1 . 1 1 100 100 ASP CA C 100 57.369 57.369 56.209 1.160 18701 558 1 . 1 1 100 100 ASP CB C 100 40.682 40.682 40.823 -0.141 18701 559 1 . 1 1 100 100 ASP H H 100 8.584 8.584 8.620 -0.036 18701 560 1 . 1 1 101 101 ASN N N 101 112.580 112.580 116.665 -4.085 18701 561 1 . 1 1 101 101 ASN HA H 101 4.791 4.791 4.661 0.130 18701 562 1 . 1 1 101 101 ASN C C 101 175.256 175.256 174.395 0.861 18701 563 1 . 1 1 101 101 ASN CA C 101 52.784 52.784 52.940 -0.156 18701 564 1 . 1 1 101 101 ASN CB C 101 38.078 38.078 38.298 -0.220 18701 565 1 . 1 1 101 101 ASN H H 101 8.055 8.055 8.064 -0.009 18701 566 1 . 1 1 102 102 ALA N N 102 123.140 123.140 124.194 -1.054 18701 567 1 . 1 1 102 102 ALA HA H 102 4.541 4.541 4.428 0.113 18701 568 1 . 1 1 102 102 ALA CA C 102 51.547 51.547 50.322 1.225 18701 569 1 . 1 1 102 102 ALA CB C 102 17.402 17.402 18.552 -1.150 18701 570 1 . 1 1 102 102 ALA H H 102 7.207 7.207 7.240 -0.034 18701 571 1 . 1 1 103 103 PRO HA H 103 4.432 4.432 4.366 0.066 18701 572 1 . 1 1 103 103 PRO C C 103 178.208 178.208 177.612 0.596 18701 573 1 . 1 1 103 103 PRO CA C 103 63.148 63.148 62.961 0.187 18701 574 1 . 1 1 103 103 PRO CB C 103 32.380 32.380 32.244 0.136 18701 575 1 . 1 1 104 104 VAL N N 104 125.953 125.953 124.991 0.962 18701 576 1 . 1 1 104 104 VAL HA H 104 3.596 3.596 3.617 -0.021 18701 577 1 . 1 1 104 104 VAL C C 104 177.210 177.210 178.195 -0.985 18701 578 1 . 1 1 104 104 VAL CA C 104 66.893 66.893 66.838 0.055 18701 579 1 . 1 1 104 104 VAL CB C 104 31.973 31.973 31.779 0.194 18701 580 1 . 1 1 104 104 VAL H H 104 8.747 8.747 8.601 0.146 18701 581 1 . 1 1 105 105 ARG N N 105 118.556 118.556 119.570 -1.014 18701 582 1 . 1 1 105 105 ARG HA H 105 4.085 4.085 4.140 -0.055 18701 583 1 . 1 1 105 105 ARG C C 105 179.185 179.185 178.711 0.474 18701 584 1 . 1 1 105 105 ARG CA C 105 59.648 59.648 59.302 0.346 18701 585 1 . 1 1 105 105 ARG CB C 105 29.694 29.694 29.317 0.377 18701 586 1 . 1 1 105 105 ARG H H 105 8.866 8.866 8.529 0.337 18701 587 1 . 1 1 106 106 ARG N N 106 118.188 118.188 119.543 -1.355 18701 588 1 . 1 1 106 106 ARG HA H 106 4.218 4.218 4.153 0.065 18701 589 1 . 1 1 106 106 ARG C C 106 177.991 177.991 178.480 -0.489 18701 590 1 . 1 1 106 106 ARG CA C 106 58.579 58.579 59.149 -0.570 18701 591 1 . 1 1 106 106 ARG CB C 106 30.101 30.101 30.083 0.018 18701 592 1 . 1 1 106 106 ARG H H 106 7.140 7.140 8.025 -0.885 18701 593 1 . 1 1 107 107 ARG N N 107 119.484 119.484 119.630 -0.146 18701 594 1 . 1 1 107 107 ARG HA H 107 4.015 4.015 4.221 -0.206 18701 595 1 . 1 1 107 107 ARG C C 107 179.424 179.424 178.660 0.764 18701 596 1 . 1 1 107 107 ARG CA C 107 60.625 60.625 58.627 1.998 18701 597 1 . 1 1 107 107 ARG CB C 107 30.263 30.263 29.498 0.765 18701 598 1 . 1 1 107 107 ARG H H 107 8.246 8.246 8.445 -0.199 18701 599 1 . 1 1 108 108 MET N N 108 117.193 117.193 120.267 -3.074 18701 600 1 . 1 1 108 108 MET HA H 108 4.218 4.218 4.248 -0.030 18701 601 1 . 1 1 108 108 MET C C 108 178.968 178.968 177.940 1.028 18701 602 1 . 1 1 108 108 MET CA C 108 58.671 58.671 57.949 0.722 18701 603 1 . 1 1 108 108 MET CB C 108 32.380 32.380 32.105 0.275 18701 604 1 . 1 1 108 108 MET H H 108 8.599 8.599 8.291 0.308 18701 605 1 . 1 1 109 109 LEU N N 109 123.421 123.421 119.536 3.885 18701 606 1 . 1 1 109 109 LEU HA H 109 4.194 4.194 3.914 0.280 18701 607 1 . 1 1 109 109 LEU C C 109 180.444 180.444 179.113 1.331 18701 608 1 . 1 1 109 109 LEU CA C 109 58.183 58.183 57.845 0.338 18701 609 1 . 1 1 109 109 LEU CB C 109 42.392 42.392 41.368 1.024 18701 610 1 . 1 1 109 109 LEU H H 109 7.924 7.924 7.709 0.215 18701 611 1 . 1 1 110 110 TYR N N 110 120.798 120.798 120.130 0.668 18701 612 1 . 1 1 110 110 TYR HA H 110 4.193 4.193 4.241 -0.048 18701 613 1 . 1 1 110 110 TYR C C 110 180.574 180.574 177.990 2.584 18701 614 1 . 1 1 110 110 TYR CA C 110 61.602 61.602 61.295 0.307 18701 615 1 . 1 1 110 110 TYR CB C 110 37.833 37.833 38.227 -0.394 18701 616 1 . 1 1 110 110 TYR H H 110 8.761 8.761 8.244 0.516 18701 617 1 . 1 1 111 111 ALA N N 111 123.703 123.703 120.191 3.512 18701 618 1 . 1 1 111 111 ALA HA H 111 4.362 4.362 3.973 0.389 18701 619 1 . 1 1 111 111 ALA C C 111 180.314 180.314 179.688 0.626 18701 620 1 . 1 1 111 111 ALA CA C 111 55.660 55.660 54.758 0.902 18701 621 1 . 1 1 111 111 ALA CB C 111 18.461 18.461 18.123 0.337 18701 622 1 . 1 1 111 111 ALA H H 111 8.668 8.668 8.344 0.324 18701 623 1 . 1 1 112 112 SER N N 112 112.404 112.404 113.663 -1.259 18701 624 1 . 1 1 112 112 SER HA H 112 4.360 4.360 4.281 0.079 18701 625 1 . 1 1 112 112 SER C C 112 176.949 176.949 175.973 0.976 18701 626 1 . 1 1 112 112 SER CA C 112 60.869 60.869 61.225 -0.356 18701 627 1 . 1 1 112 112 SER CB C 112 63.474 63.474 63.306 0.168 18701 628 1 . 1 1 112 112 SER H H 112 8.532 8.532 8.007 0.525 18701 629 1 . 1 1 113 113 SER N N 113 115.828 115.828 117.106 -1.278 18701 630 1 . 1 1 113 113 SER HA H 113 4.552 4.552 4.323 0.229 18701 631 1 . 1 1 113 113 SER C C 113 173.390 173.390 175.525 -2.135 18701 632 1 . 1 1 113 113 SER CA C 113 60.218 60.218 60.037 0.181 18701 633 1 . 1 1 113 113 SER CB C 113 63.393 63.393 62.482 0.911 18701 634 1 . 1 1 113 113 SER H H 113 7.607 7.607 7.742 -0.135 18701 635 1 . 1 1 114 114 VAL N N 114 119.484 119.484 122.721 -3.237 18701 636 1 . 1 1 114 114 VAL HA H 114 3.357 3.357 3.500 -0.143 18701 637 1 . 1 1 114 114 VAL C C 114 176.016 176.016 177.447 -1.431 18701 638 1 . 1 1 114 114 VAL CA C 114 64.614 64.614 66.711 -2.097 18701 639 1 . 1 1 114 114 VAL CB C 114 31.891 31.891 31.216 0.675 18701 640 1 . 1 1 114 114 VAL H H 114 6.999 6.999 7.399 -0.400 18701 641 1 . 1 1 115 115 ARG N N 115 121.686 121.686 118.611 3.075 18701 642 1 . 1 1 115 115 ARG HA H 115 3.700 3.700 3.935 -0.235 18701 643 1 . 1 1 115 115 ARG C C 115 178.360 178.360 177.758 0.602 18701 644 1 . 1 1 115 115 ARG CA C 115 59.892 59.892 58.717 1.175 18701 645 1 . 1 1 115 115 ARG CB C 115 29.205 29.205 29.175 0.030 18701 646 1 . 1 1 115 115 ARG H H 115 7.740 7.740 8.157 -0.417 18701 647 1 . 1 1 116 116 ALA N N 116 121.346 121.346 121.731 -0.384 18701 648 1 . 1 1 116 116 ALA HA H 116 4.039 4.039 4.087 -0.048 18701 649 1 . 1 1 116 116 ALA C C 116 180.335 180.335 179.403 0.932 18701 650 1 . 1 1 116 116 ALA CA C 116 54.764 54.764 54.646 0.118 18701 651 1 . 1 1 116 116 ALA CB C 116 17.891 17.891 18.629 -0.738 18701 652 1 . 1 1 116 116 ALA H H 116 7.737 7.737 7.405 0.332 18701 653 1 . 1 1 117 117 LEU N N 117 119.203 119.203 116.350 2.853 18701 654 1 . 1 1 117 117 LEU HA H 117 3.655 3.655 3.923 -0.268 18701 655 1 . 1 1 117 117 LEU C C 117 177.449 177.449 178.578 -1.129 18701 656 1 . 1 1 117 117 LEU CA C 117 57.857 57.857 57.431 0.426 18701 657 1 . 1 1 117 117 LEU CB C 117 41.578 41.578 40.680 0.898 18701 658 1 . 1 1 117 117 LEU H H 117 6.785 6.785 7.879 -1.094 18701 659 1 . 1 1 118 118 LYS N N 118 114.804 114.804 119.867 -5.063 18701 660 1 . 1 1 118 118 LYS HA H 118 4.362 4.362 3.733 0.629 18701 661 1 . 1 1 118 118 LYS C C 118 178.686 178.686 178.086 0.600 18701 662 1 . 1 1 118 118 LYS CA C 118 59.974 59.974 59.230 0.744 18701 663 1 . 1 1 118 118 LYS CB C 118 32.461 32.461 32.209 0.252 18701 664 1 . 1 1 118 118 LYS H H 118 8.132 8.132 7.662 0.470 18701 665 1 . 1 1 119 119 ALA N N 119 119.833 119.833 120.120 -0.287 18701 666 1 . 1 1 119 119 ALA HA H 119 4.157 4.157 4.307 -0.150 18701 667 1 . 1 1 119 119 ALA C C 119 180.183 180.183 180.155 0.028 18701 668 1 . 1 1 119 119 ALA CA C 119 54.439 54.439 54.588 -0.149 18701 669 1 . 1 1 119 119 ALA CB C 119 18.379 18.379 18.249 0.130 18701 670 1 . 1 1 119 119 ALA H H 119 8.068 8.068 7.594 0.474 18701 671 1 . 1 1 120 120 SER N N 120 112.312 112.312 114.683 -2.371 18701 672 1 . 1 1 120 120 SER HA H 120 4.073 4.073 4.215 -0.142 18701 673 1 . 1 1 120 120 SER C C 120 175.799 175.799 175.561 0.238 18701 674 1 . 1 1 120 120 SER CA C 120 61.602 61.602 60.831 0.771 18701 675 1 . 1 1 120 120 SER CB C 120 63.555 63.555 63.197 0.358 18701 676 1 . 1 1 120 120 SER H H 120 7.713 7.713 7.768 -0.055 18701 677 1 . 1 1 121 121 LEU N N 121 116.812 116.812 119.187 -2.375 18701 678 1 . 1 1 121 121 LEU HA H 121 4.085 4.085 4.168 -0.083 18701 679 1 . 1 1 121 121 LEU C C 121 176.125 176.125 176.284 -0.159 18701 680 1 . 1 1 121 121 LEU CA C 121 55.904 55.904 53.922 1.982 18701 681 1 . 1 1 121 121 LEU CB C 121 41.252 41.252 41.978 -0.726 18701 682 1 . 1 1 121 121 LEU H H 121 7.272 7.272 7.296 -0.024 18701 683 1 . 1 1 122 122 GLY N N 122 108.734 108.734 106.223 2.511 18701 684 1 . 1 1 122 122 GLY C C 122 176.754 176.754 174.892 1.862 18701 685 1 . 1 1 122 122 GLY CA C 122 47.276 47.276 45.433 1.842 18701 686 1 . 1 1 122 122 GLY H H 122 7.377 7.377 7.398 -0.021 18701 687 1 . 1 1 123 123 LEU N N 123 116.950 116.950 119.006 -2.056 18701 688 1 . 1 1 123 123 LEU HA H 123 4.145 4.145 4.453 -0.308 18701 689 1 . 1 1 123 123 LEU C C 123 178.187 178.187 177.712 0.475 18701 690 1 . 1 1 123 123 LEU CA C 123 53.950 53.950 53.827 0.123 18701 691 1 . 1 1 123 123 LEU CB C 123 41.903 41.903 41.008 0.895 18701 692 1 . 1 1 123 123 LEU H H 123 8.201 8.201 7.678 0.523 18701 693 1 . 1 1 124 124 GLU N N 124 120.328 120.328 120.871 -0.544 18701 694 1 . 1 1 124 124 GLU HA H 124 3.704 3.704 4.003 -0.299 18701 695 1 . 1 1 124 124 GLU C C 124 176.970 176.970 177.528 -0.558 18701 696 1 . 1 1 124 124 GLU CA C 124 60.462 60.462 59.090 1.373 18701 697 1 . 1 1 124 124 GLU CB C 124 29.205 29.205 28.936 0.269 18701 698 1 . 1 1 124 124 GLU H H 124 9.213 9.213 8.582 0.631 18701 699 1 . 1 1 125 125 SER N N 125 110.938 110.938 113.921 -2.983 18701 700 1 . 1 1 125 125 SER HA H 125 4.456 4.456 4.461 -0.005 18701 701 1 . 1 1 125 125 SER C C 125 174.475 174.475 173.923 0.552 18701 702 1 . 1 1 125 125 SER CA C 125 58.590 58.590 58.464 0.126 18701 703 1 . 1 1 125 125 SER CB C 125 63.555 63.555 63.318 0.237 18701 704 1 . 1 1 125 125 SER H H 125 8.308 8.308 8.292 0.016 18701 705 1 . 1 1 126 126 LEU N N 126 121.193 121.193 120.672 0.521 18701 706 1 . 1 1 126 126 LEU HA H 126 4.469 4.469 4.394 0.075 18701 707 1 . 1 1 126 126 LEU C C 126 177.774 177.774 175.781 1.993 18701 708 1 . 1 1 126 126 LEU CA C 126 54.927 54.927 53.694 1.233 18701 709 1 . 1 1 126 126 LEU CB C 126 42.066 42.066 43.686 -1.620 18701 710 1 . 1 1 126 126 LEU H H 126 7.178 7.178 7.256 -0.078 18701 711 1 . 1 1 127 127 PHE N N 127 125.109 125.109 119.141 5.968 18701 712 1 . 1 1 127 127 PHE HA H 127 4.348 4.348 4.697 -0.349 18701 713 1 . 1 1 127 127 PHE C C 127 173.542 173.542 174.776 -1.234 18701 714 1 . 1 1 127 127 PHE CA C 127 59.816 59.816 57.684 2.132 18701 715 1 . 1 1 127 127 PHE CB C 127 39.950 39.950 40.991 -1.041 18701 716 1 . 1 1 127 127 PHE H H 127 9.050 9.050 8.598 0.452 18701 717 1 . 1 1 128 128 GLN N N 128 125.953 125.953 123.643 2.310 18701 718 1 . 1 1 128 128 GLN HA H 128 5.510 5.510 5.397 0.113 18701 719 1 . 1 1 128 128 GLN C C 128 174.736 174.736 174.472 0.264 18701 720 1 . 1 1 128 128 GLN CA C 128 53.532 53.532 54.597 -1.065 18701 721 1 . 1 1 128 128 GLN CB C 128 31.973 31.973 31.582 0.391 18701 722 1 . 1 1 128 128 GLN H H 128 7.618 7.618 8.436 -0.818 18701 723 1 . 1 1 129 129 VAL N N 129 123.703 123.703 126.412 -2.709 18701 724 1 . 1 1 129 129 VAL HA H 129 4.075 4.075 4.434 -0.359 18701 725 1 . 1 1 129 129 VAL C C 129 174.736 174.736 174.219 0.517 18701 726 1 . 1 1 129 129 VAL CA C 129 61.439 61.439 60.633 0.806 18701 727 1 . 1 1 129 129 VAL CB C 129 34.984 34.984 34.851 0.133 18701 728 1 . 1 1 129 129 VAL H H 129 8.948 8.948 9.231 -0.283 18701 729 1 . 1 1 130 130 GLN N N 130 129.187 129.187 124.545 4.642 18701 730 1 . 1 1 130 130 GLN HA H 130 4.731 4.731 4.944 -0.213 18701 731 1 . 1 1 130 130 GLN C C 130 173.780 173.780 174.428 -0.648 18701 732 1 . 1 1 130 130 GLN CA C 130 55.009 55.009 54.171 0.838 18701 733 1 . 1 1 130 130 GLN CB C 130 28.391 28.391 30.156 -1.765 18701 734 1 . 1 1 130 130 GLN H H 130 8.988 8.988 8.523 0.465 18701 735 1 . 1 1 131 131 ALA N N 131 127.359 127.359 127.604 -0.245 18701 736 1 . 1 1 131 131 ALA HA H 131 4.816 4.816 5.024 -0.208 18701 737 1 . 1 1 131 131 ALA C C 131 174.909 174.909 176.189 -1.280 18701 738 1 . 1 1 131 131 ALA CA C 131 50.765 50.765 50.458 0.307 18701 739 1 . 1 1 131 131 ALA CB C 131 23.751 23.751 22.532 1.219 18701 740 1 . 1 1 131 131 ALA H H 131 8.663 8.663 8.827 -0.164 18701 741 1 . 1 1 132 132 SER N N 132 116.281 116.281 118.061 -1.780 18701 742 1 . 1 1 132 132 SER HA H 132 4.085 4.085 4.567 -0.482 18701 743 1 . 1 1 132 132 SER C C 132 172.087 172.087 174.411 -2.324 18701 744 1 . 1 1 132 132 SER CA C 132 57.667 57.667 59.681 -2.014 18701 745 1 . 1 1 132 132 SER CB C 132 65.916 65.916 64.357 1.559 18701 746 1 . 1 1 132 132 SER H H 132 9.369 9.369 8.974 0.395 18701 747 1 . 1 1 133 133 GLU N N 133 119.487 119.487 117.246 2.241 18701 748 1 . 1 1 133 133 GLU HA H 133 4.827 4.827 4.567 0.261 18701 749 1 . 1 1 133 133 GLU C C 133 177.666 177.666 177.436 0.230 18701 750 1 . 1 1 133 133 GLU CA C 133 54.998 54.998 55.058 -0.060 18701 751 1 . 1 1 133 133 GLU CB C 133 33.112 33.112 31.064 2.048 18701 752 1 . 1 1 133 133 GLU H H 133 7.739 7.739 7.820 -0.081 18701 753 1 . 1 1 134 134 MET N N 134 122.237 122.237 117.307 4.930 18701 754 1 . 1 1 134 134 MET HA H 134 4.529 4.529 4.333 0.196 18701 755 1 . 1 1 134 134 MET C C 134 180.856 180.856 176.777 4.079 18701 756 1 . 1 1 134 134 MET CA C 134 56.593 56.593 58.328 -1.735 18701 757 1 . 1 1 134 134 MET CB C 134 29.042 29.042 32.532 -3.489 18701 758 1 . 1 1 134 134 MET H H 134 9.143 9.143 8.708 0.435 18701 759 1 . 1 1 135 135 SER N N 135 116.214 116.214 113.706 2.508 18701 760 1 . 1 1 135 135 SER HA H 135 4.205 4.205 4.365 -0.160 18701 761 1 . 1 1 135 135 SER C C 135 176.993 176.993 175.961 1.032 18701 762 1 . 1 1 135 135 SER CA C 135 61.216 61.216 60.636 0.580 18701 763 1 . 1 1 135 135 SER CB C 135 62.253 62.253 63.310 -1.057 18701 764 1 . 1 1 135 135 SER H H 135 8.659 8.659 8.129 0.530 18701 765 1 . 1 1 136 136 ASP N N 136 122.296 122.296 121.990 0.306 18701 766 1 . 1 1 136 136 ASP HA H 136 4.553 4.553 4.605 -0.052 18701 767 1 . 1 1 136 136 ASP C C 136 175.647 175.647 177.463 -1.816 18701 768 1 . 1 1 136 136 ASP CA C 136 56.881 56.881 55.984 0.897 18701 769 1 . 1 1 136 136 ASP CB C 136 41.659 41.659 41.246 0.413 18701 770 1 . 1 1 136 136 ASP H H 136 7.861 7.861 7.956 -0.094 18701 771 1 . 1 1 137 137 LEU N N 137 113.859 113.859 114.834 -0.975 18701 772 1 . 1 1 137 137 LEU HA H 137 4.517 4.517 4.570 -0.053 18701 773 1 . 1 1 137 137 LEU C C 137 176.038 176.038 176.504 -0.466 18701 774 1 . 1 1 137 137 LEU CA C 137 53.218 53.218 54.706 -1.488 18701 775 1 . 1 1 137 137 LEU CB C 137 41.822 41.822 41.341 0.481 18701 776 1 . 1 1 137 137 LEU H H 137 7.617 7.617 7.396 0.221 18701 777 1 . 1 1 138 138 ASP N N 138 119.906 119.906 120.980 -1.074 18701 778 1 . 1 1 138 138 ASP HA H 138 4.325 4.325 4.524 -0.199 18701 779 1 . 1 1 138 138 ASP C C 138 175.842 175.842 177.428 -1.586 18701 780 1 . 1 1 138 138 ASP CA C 138 55.985 55.985 54.704 1.281 18701 781 1 . 1 1 138 138 ASP CB C 138 43.287 43.287 42.819 0.468 18701 782 1 . 1 1 138 138 ASP H H 138 7.119 7.119 7.380 -0.261 18701 783 1 . 1 1 139 139 GLU N N 139 128.062 128.062 125.464 2.598 18701 784 1 . 1 1 139 139 GLU HA H 139 3.309 3.309 3.908 -0.599 18701 785 1 . 1 1 139 139 GLU C C 139 177.275 177.275 177.779 -0.504 18701 786 1 . 1 1 139 139 GLU CA C 139 60.299 60.299 58.907 1.392 18701 787 1 . 1 1 139 139 GLU CB C 139 30.508 30.508 29.130 1.378 18701 788 1 . 1 1 139 139 GLU H H 139 8.943 8.943 8.862 0.081 18701 789 1 . 1 1 140 140 LYS N N 140 115.993 115.993 118.619 -2.626 18701 790 1 . 1 1 140 140 LYS HA H 140 3.894 3.894 4.005 -0.111 18701 791 1 . 1 1 140 140 LYS C C 140 179.771 179.771 178.541 1.230 18701 792 1 . 1 1 140 140 LYS CA C 140 59.555 59.555 58.742 0.813 18701 793 1 . 1 1 140 140 LYS CB C 140 31.973 31.973 31.774 0.199 18701 794 1 . 1 1 140 140 LYS H H 140 8.243 8.243 8.331 -0.088 18701 795 1 . 1 1 141 141 SER N N 141 116.877 116.877 114.933 1.944 18701 796 1 . 1 1 141 141 SER HA H 141 4.184 4.184 4.554 -0.370 18701 797 1 . 1 1 141 141 SER C C 141 175.973 175.973 176.135 -0.162 18701 798 1 . 1 1 141 141 SER CA C 141 61.737 61.737 60.772 0.965 18701 799 1 . 1 1 141 141 SER CB C 141 62.986 62.986 64.655 -1.669 18701 800 1 . 1 1 141 141 SER H H 141 7.856 7.856 7.955 -0.099 18701 801 1 . 1 1 142 142 VAL N N 142 121.874 121.874 122.405 -0.531 18701 802 1 . 1 1 142 142 VAL HA H 142 3.776 3.776 3.637 0.139 18701 803 1 . 1 1 142 142 VAL C C 142 178.165 178.165 177.310 0.855 18701 804 1 . 1 1 142 142 VAL CA C 142 66.730 66.730 67.356 -0.626 18701 805 1 . 1 1 142 142 VAL CB C 142 32.380 32.380 31.296 1.084 18701 806 1 . 1 1 142 142 VAL H H 142 8.476 8.476 7.589 0.887 18701 807 1 . 1 1 143 143 LYS N N 143 116.141 116.141 119.779 -3.638 18701 808 1 . 1 1 143 143 LYS HA H 143 3.619 3.619 3.973 -0.354 18701 809 1 . 1 1 143 143 LYS C C 143 178.512 178.512 178.988 -0.476 18701 810 1 . 1 1 143 143 LYS CA C 143 61.276 61.276 59.393 1.882 18701 811 1 . 1 1 143 143 LYS CB C 143 32.136 32.136 31.889 0.247 18701 812 1 . 1 1 143 143 LYS H H 143 8.157 8.157 7.748 0.408 18701 813 1 . 1 1 144 144 SER N N 144 113.862 113.862 115.055 -1.193 18701 814 1 . 1 1 144 144 SER HA H 144 4.158 4.158 4.168 -0.010 18701 815 1 . 1 1 144 144 SER C C 144 177.340 177.340 176.467 0.873 18701 816 1 . 1 1 144 144 SER CA C 144 61.769 61.769 61.886 -0.117 18701 817 1 . 1 1 144 144 SER CB C 144 62.986 62.986 63.006 -0.020 18701 818 1 . 1 1 144 144 SER H H 144 7.754 7.754 7.735 0.019 18701 819 1 . 1 1 145 145 ASP N N 145 123.316 123.316 122.502 0.814 18701 820 1 . 1 1 145 145 ASP HA H 145 4.408 4.408 4.427 -0.019 18701 821 1 . 1 1 145 145 ASP C C 145 178.708 178.708 178.183 0.525 18701 822 1 . 1 1 145 145 ASP CA C 145 57.369 57.369 57.182 0.187 18701 823 1 . 1 1 145 145 ASP CB C 145 40.194 40.194 41.092 -0.898 18701 824 1 . 1 1 145 145 ASP H H 145 8.172 8.172 8.127 0.045 18701 825 1 . 1 1 146 146 LEU N N 146 121.453 121.453 118.409 3.044 18701 826 1 . 1 1 146 146 LEU HA H 146 3.058 3.058 3.990 -0.932 18701 827 1 . 1 1 146 146 LEU C C 146 178.447 178.447 178.419 0.028 18701 828 1 . 1 1 146 146 LEU CA C 146 57.369 57.369 57.558 -0.190 18701 829 1 . 1 1 146 146 LEU CB C 146 42.636 42.636 41.536 1.100 18701 830 1 . 1 1 146 146 LEU H H 146 8.186 8.186 7.977 0.209 18701 831 1 . 1 1 147 147 MET N N 147 115.468 115.468 117.826 -2.358 18701 832 1 . 1 1 147 147 MET HA H 147 4.314 4.314 4.246 0.068 18701 833 1 . 1 1 147 147 MET C C 147 177.839 177.839 178.046 -0.207 18701 834 1 . 1 1 147 147 MET CA C 147 56.311 56.311 58.290 -1.980 18701 835 1 . 1 1 147 147 MET CB C 147 31.891 31.891 32.086 -0.195 18701 836 1 . 1 1 147 147 MET H H 147 7.622 7.622 7.746 -0.124 18701 837 1 . 1 1 148 148 SER N N 148 115.203 115.203 114.724 0.479 18701 838 1 . 1 1 148 148 SER HA H 148 4.338 4.338 4.222 0.116 18701 839 1 . 1 1 148 148 SER C C 148 174.953 174.953 176.319 -1.366 18701 840 1 . 1 1 148 148 SER CA C 148 60.137 60.137 61.186 -1.049 18701 841 1 . 1 1 148 148 SER CB C 148 63.637 63.637 63.262 0.375 18701 842 1 . 1 1 148 148 SER H H 148 7.836 7.836 7.796 0.040 18701 843 1 . 1 1 149 149 ASN N N 149 119.635 119.635 118.930 0.705 18701 844 1 . 1 1 149 149 ASN HA H 149 4.683 4.683 4.586 0.097 18701 845 1 . 1 1 149 149 ASN C C 149 174.953 174.953 176.920 -1.967 18701 846 1 . 1 1 149 149 ASN CA C 149 54.439 54.439 54.091 0.348 18701 847 1 . 1 1 149 149 ASN CB C 149 39.706 39.706 37.913 1.793 18701 848 1 . 1 1 149 149 ASN H H 149 8.040 8.040 7.977 0.063 18701 849 1 . 1 1 150 150 GLN N N 150 118.805 118.805 118.434 0.371 18701 850 1 . 1 1 150 150 GLN HA H 150 4.313 4.313 3.990 0.323 18701 851 1 . 1 1 150 150 GLN C C 150 175.365 175.365 176.053 -0.688 18701 852 1 . 1 1 150 150 GLN CA C 150 55.823 55.823 58.884 -3.061 18701 853 1 . 1 1 150 150 GLN CB C 150 29.287 29.287 29.087 0.200 18701 854 1 . 1 1 150 150 GLN H H 150 8.041 8.041 7.714 0.327 18701 855 1 . 1 1 151 151 ARG N N 151 122.082 122.082 115.047 7.035 18701 856 1 . 1 1 151 151 ARG HA H 151 4.362 4.362 4.602 -0.240 18701 857 1 . 1 1 151 151 ARG C C 151 175.213 175.213 174.625 0.588 18701 858 1 . 1 1 151 151 ARG CA C 151 56.332 56.332 55.744 0.588 18701 859 1 . 1 1 151 151 ARG CB C 151 30.426 30.426 30.353 0.073 18701 860 1 . 1 1 151 151 ARG H H 151 8.221 8.221 7.696 0.525 18701 stop_ save_