data_19218 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19218 _Entry.PDB_ID 2M80 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 19218 _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 10 10 SER N N 10 116.136 116.136 115.258 0.878 19218 2 1 1 . 1 1 10 10 SER HA H 10 4.238 4.238 4.034 0.204 19218 3 1 1 . 1 1 10 10 SER CA C 10 59.536 59.536 61.094 -1.558 19218 4 1 1 . 1 1 10 10 SER CB C 10 62.858 62.858 61.955 0.903 19218 5 1 1 . 1 1 10 10 SER H H 10 8.600 8.600 8.490 0.110 19218 6 1 1 . 1 1 11 11 ALA N N 11 125.978 125.978 123.795 2.183 19218 7 1 1 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.050 0.074 19218 8 1 1 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.895 -0.601 19218 9 1 1 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.649 -0.196 19218 10 1 1 . 1 1 11 11 ALA H H 11 8.301 8.301 8.168 0.133 19218 11 1 1 . 1 1 12 12 PHE N N 12 116.204 116.204 116.801 -0.597 19218 12 1 1 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.547 -0.904 19218 13 1 1 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.914 0.777 19218 14 1 1 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.258 -0.748 19218 15 1 1 . 1 1 12 12 PHE H H 12 7.521 7.521 7.943 -0.422 19218 16 1 1 . 1 1 13 13 VAL N N 13 119.293 119.293 121.257 -1.964 19218 17 1 1 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.597 -0.236 19218 18 1 1 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.768 0.339 19218 19 1 1 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.408 0.060 19218 20 1 1 . 1 1 13 13 VAL H H 13 7.693 7.693 7.976 -0.283 19218 21 1 1 . 1 1 14 14 THR N N 14 114.423 114.423 115.524 -1.101 19218 22 1 1 . 1 1 14 14 THR HA H 14 3.949 3.949 4.233 -0.284 19218 23 1 1 . 1 1 14 14 THR CA C 14 66.076 66.076 66.484 -0.408 19218 24 1 1 . 1 1 14 14 THR CB C 14 68.449 68.449 68.551 -0.102 19218 25 1 1 . 1 1 14 14 THR H H 14 7.902 7.902 8.378 -0.476 19218 26 1 1 . 1 1 15 15 LYS N N 15 120.738 120.738 120.665 0.073 19218 27 1 1 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.887 0.279 19218 28 1 1 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.310 -0.726 19218 29 1 1 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.897 0.428 19218 30 1 1 . 1 1 15 15 LYS H H 15 7.738 7.738 8.012 -0.274 19218 31 1 1 . 1 1 16 16 ALA N N 16 123.499 123.499 121.890 1.609 19218 32 1 1 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.997 -0.130 19218 33 1 1 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.060 0.744 19218 34 1 1 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.035 -0.686 19218 35 1 1 . 1 1 16 16 ALA H H 16 8.597 8.597 7.833 0.764 19218 36 1 1 . 1 1 17 17 GLU N N 17 115.381 115.381 118.557 -3.176 19218 37 1 1 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.888 -0.232 19218 38 1 1 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.532 -0.182 19218 39 1 1 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.421 -0.209 19218 40 1 1 . 1 1 17 17 GLU H H 17 8.033 8.033 7.853 0.180 19218 41 1 1 . 1 1 18 18 GLU N N 18 118.231 118.231 118.321 -0.090 19218 42 1 1 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.031 -0.174 19218 43 1 1 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.709 0.396 19218 44 1 1 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.385 -0.149 19218 45 1 1 . 1 1 18 18 GLU H H 18 7.884 7.884 7.569 0.315 19218 46 1 1 . 1 1 19 19 MET N N 19 119.064 119.064 118.873 0.191 19218 47 1 1 . 1 1 19 19 MET HA H 19 3.893 3.893 4.062 -0.169 19218 48 1 1 . 1 1 19 19 MET CA C 19 60.090 60.090 57.623 2.467 19218 49 1 1 . 1 1 19 19 MET CB C 19 33.764 33.764 32.510 1.254 19218 50 1 1 . 1 1 19 19 MET H H 19 8.384 8.384 7.359 1.025 19218 51 1 1 . 1 1 20 20 ILE N N 20 111.356 111.356 114.651 -3.295 19218 52 1 1 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.041 -0.219 19218 53 1 1 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.290 0.360 19218 54 1 1 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.147 -0.589 19218 55 1 1 . 1 1 20 20 ILE H H 20 7.472 7.472 7.636 -0.164 19218 56 1 1 . 1 1 21 21 LYS N N 21 119.838 119.838 120.563 -0.725 19218 57 1 1 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.981 0.070 19218 58 1 1 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.320 -1.634 19218 59 1 1 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.261 0.034 19218 60 1 1 . 1 1 21 21 LYS H H 21 7.356 7.356 7.587 -0.231 19218 61 1 1 . 1 1 22 22 SER N N 22 111.769 111.769 111.510 0.259 19218 62 1 1 . 1 1 22 22 SER HA H 22 4.142 4.142 4.400 -0.258 19218 63 1 1 . 1 1 22 22 SER CA C 22 59.093 59.093 59.517 -0.424 19218 64 1 1 . 1 1 22 22 SER CB C 22 63.622 63.622 64.156 -0.534 19218 65 1 1 . 1 1 22 22 SER H H 22 7.420 7.420 7.684 -0.264 19218 66 1 1 . 1 1 23 23 HIS N N 23 117.400 117.400 118.370 -0.970 19218 67 1 1 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.713 0.369 19218 68 1 1 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.401 -1.502 19218 69 1 1 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.190 0.290 19218 70 1 1 . 1 1 23 23 HIS H H 23 6.849 6.849 7.791 -0.942 19218 71 1 1 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.369 -0.298 19218 72 1 1 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.298 0.499 19218 73 1 1 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.257 -0.554 19218 74 1 1 . 1 1 25 25 TYR N N 25 113.093 113.093 119.416 -6.323 19218 75 1 1 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.948 0.050 19218 76 1 1 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.302 -1.313 19218 77 1 1 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.919 1.605 19218 78 1 1 . 1 1 25 25 TYR H H 25 7.830 7.830 8.212 -0.382 19218 79 1 1 . 1 1 26 26 PHE N N 26 127.175 127.175 121.428 5.747 19218 80 1 1 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.921 -0.606 19218 81 1 1 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.244 1.441 19218 82 1 1 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.100 -0.105 19218 83 1 1 . 1 1 26 26 PHE H H 26 9.123 9.123 8.100 1.023 19218 84 1 1 . 1 1 27 27 GLN N N 27 128.714 128.714 122.801 5.913 19218 85 1 1 . 1 1 27 27 GLN HA H 27 5.340 5.340 5.063 0.277 19218 86 1 1 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.536 -1.167 19218 87 1 1 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.120 3.751 19218 88 1 1 . 1 1 27 27 GLN H H 27 8.452 8.452 8.351 0.101 19218 89 1 1 . 1 1 28 28 LEU N N 28 130.057 130.057 128.339 1.718 19218 90 1 1 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.616 -0.188 19218 91 1 1 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.308 0.609 19218 92 1 1 . 1 1 28 28 LEU CB C 28 42.777 42.777 40.183 2.594 19218 93 1 1 . 1 1 28 28 LEU H H 28 8.725 8.725 8.383 0.342 19218 94 1 1 . 1 1 29 29 SER N N 29 122.598 122.598 119.914 2.684 19218 95 1 1 . 1 1 29 29 SER HA H 29 4.807 4.807 4.724 0.083 19218 96 1 1 . 1 1 29 29 SER CA C 29 56.103 56.103 57.179 -1.076 19218 97 1 1 . 1 1 29 29 SER CB C 29 68.677 68.677 66.323 2.354 19218 98 1 1 . 1 1 29 29 SER H H 29 8.540 8.540 8.074 0.466 19218 99 1 1 . 1 1 30 30 ALA N N 30 121.919 121.919 121.646 0.273 19218 100 1 1 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.665 -0.154 19218 101 1 1 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.891 0.332 19218 102 1 1 . 1 1 30 30 ALA CB C 30 21.448 21.448 20.664 0.784 19218 103 1 1 . 1 1 30 30 ALA H H 30 7.215 7.215 8.283 -1.068 19218 104 1 1 . 1 1 31 31 SER N N 31 121.144 121.144 114.754 6.390 19218 105 1 1 . 1 1 31 31 SER HA H 31 3.721 3.721 4.516 -0.795 19218 106 1 1 . 1 1 31 31 SER CA C 31 60.666 60.666 59.562 1.105 19218 107 1 1 . 1 1 31 31 SER CB C 31 61.979 61.979 64.343 -2.364 19218 108 1 1 . 1 1 31 31 SER H H 31 8.979 8.979 8.631 0.348 19218 109 1 1 . 1 1 32 32 TRP N N 32 113.811 113.811 122.159 -8.348 19218 110 1 1 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.793 -0.327 19218 111 1 1 . 1 1 32 32 TRP CA C 32 54.110 54.110 56.753 -2.643 19218 112 1 1 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.321 -0.890 19218 113 1 1 . 1 1 32 32 TRP H H 32 6.228 6.228 7.809 -1.581 19218 114 1 1 . 1 1 33 33 CYS N N 33 123.310 123.310 121.767 1.543 19218 115 1 1 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.807 0.106 19218 116 1 1 . 1 1 33 33 CYS CA C 33 55.462 55.462 55.459 0.003 19218 117 1 1 . 1 1 33 33 CYS CB C 33 26.864 26.864 30.349 -3.485 19218 118 1 1 . 1 1 33 33 CYS H H 33 7.346 7.346 8.103 -0.757 19218 119 1 1 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.142 0.150 19218 120 1 1 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.215 0.326 19218 121 1 1 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.861 0.352 19218 122 1 1 . 1 1 35 35 ASP N N 35 117.958 117.958 115.614 2.344 19218 123 1 1 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.485 0.249 19218 124 1 1 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.584 1.099 19218 125 1 1 . 1 1 35 35 ASP CB C 35 41.386 41.386 39.990 1.396 19218 126 1 1 . 1 1 35 35 ASP H H 35 7.757 7.757 8.578 -0.821 19218 127 1 1 . 1 1 36 36 CYS N N 36 117.708 117.708 119.820 -2.112 19218 128 1 1 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.125 -0.761 19218 129 1 1 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.699 1.015 19218 130 1 1 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.618 -0.568 19218 131 1 1 . 1 1 36 36 CYS H H 36 7.621 7.621 7.791 -0.170 19218 132 1 1 . 1 1 37 37 VAL N N 37 122.173 122.173 117.592 4.581 19218 133 1 1 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.571 -0.020 19218 134 1 1 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.999 0.466 19218 135 1 1 . 1 1 37 37 VAL CB C 37 31.103 31.103 30.480 0.623 19218 136 1 1 . 1 1 37 37 VAL H H 37 7.400 7.400 8.019 -0.619 19218 137 1 1 . 1 1 38 38 TYR N N 38 119.439 119.439 121.802 -2.363 19218 138 1 1 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.041 0.160 19218 139 1 1 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.608 -1.412 19218 140 1 1 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.170 -1.041 19218 141 1 1 . 1 1 38 38 TYR H H 38 7.782 7.782 7.477 0.305 19218 142 1 1 . 1 1 39 39 ALA N N 39 123.137 123.137 120.475 2.662 19218 143 1 1 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.616 -0.780 19218 144 1 1 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.177 0.113 19218 145 1 1 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.115 -1.040 19218 146 1 1 . 1 1 39 39 ALA H H 39 7.118 7.118 7.887 -0.769 19218 147 1 1 . 1 1 40 40 ASN N N 40 113.073 113.073 115.311 -2.238 19218 148 1 1 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.504 -0.070 19218 149 1 1 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.278 -0.025 19218 150 1 1 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.133 -1.394 19218 151 1 1 . 1 1 40 40 ASN H H 40 7.954 7.954 8.511 -0.557 19218 152 1 1 . 1 1 41 41 SER N N 41 118.672 118.672 116.906 1.766 19218 153 1 1 . 1 1 41 41 SER HA H 41 4.166 4.166 4.257 -0.091 19218 154 1 1 . 1 1 41 41 SER CA C 41 61.119 61.119 61.478 -0.359 19218 155 1 1 . 1 1 41 41 SER CB C 41 62.321 62.321 62.950 -0.630 19218 156 1 1 . 1 1 41 41 SER H H 41 8.097 8.097 7.754 0.343 19218 157 1 1 . 1 1 42 42 ILE N N 42 126.562 126.562 121.266 5.296 19218 158 1 1 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.839 -0.377 19218 159 1 1 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.820 -1.504 19218 160 1 1 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.816 -3.153 19218 161 1 1 . 1 1 42 42 ILE H H 42 6.995 6.995 7.802 -0.807 19218 162 1 2 . 1 1 10 10 SER N N 10 116.136 116.136 118.163 -2.027 19218 163 1 2 . 1 1 10 10 SER HA H 10 4.238 4.238 4.288 -0.050 19218 164 1 2 . 1 1 10 10 SER CA C 10 59.536 59.536 60.958 -1.422 19218 165 1 2 . 1 1 10 10 SER CB C 10 62.858 62.858 62.760 0.098 19218 166 1 2 . 1 1 10 10 SER H H 10 8.600 8.600 8.547 0.053 19218 167 1 2 . 1 1 11 11 ALA N N 11 125.978 125.978 124.379 1.599 19218 168 1 2 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.190 -0.066 19218 169 1 2 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.828 -0.534 19218 170 1 2 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.310 0.143 19218 171 1 2 . 1 1 11 11 ALA H H 11 8.301 8.301 8.439 -0.138 19218 172 1 2 . 1 1 12 12 PHE N N 12 116.204 116.204 117.512 -1.308 19218 173 1 2 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.459 -0.816 19218 174 1 2 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.411 0.280 19218 175 1 2 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.017 -1.507 19218 176 1 2 . 1 1 12 12 PHE H H 12 7.521 7.521 7.833 -0.312 19218 177 1 2 . 1 1 13 13 VAL N N 13 119.293 119.293 120.845 -1.552 19218 178 1 2 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.513 -0.152 19218 179 1 2 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.160 -0.053 19218 180 1 2 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.634 -0.166 19218 181 1 2 . 1 1 13 13 VAL H H 13 7.693 7.693 7.583 0.110 19218 182 1 2 . 1 1 14 14 THR N N 14 114.423 114.423 115.387 -0.964 19218 183 1 2 . 1 1 14 14 THR HA H 14 3.949 3.949 4.006 -0.057 19218 184 1 2 . 1 1 14 14 THR CA C 14 66.076 66.076 66.260 -0.184 19218 185 1 2 . 1 1 14 14 THR CB C 14 68.449 68.449 68.207 0.242 19218 186 1 2 . 1 1 14 14 THR H H 14 7.902 7.902 8.708 -0.806 19218 187 1 2 . 1 1 15 15 LYS N N 15 120.738 120.738 121.389 -0.651 19218 188 1 2 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.011 0.155 19218 189 1 2 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.912 -0.328 19218 190 1 2 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.817 0.508 19218 191 1 2 . 1 1 15 15 LYS H H 15 7.738 7.738 7.511 0.227 19218 192 1 2 . 1 1 16 16 ALA N N 16 123.499 123.499 121.813 1.686 19218 193 1 2 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.980 -0.113 19218 194 1 2 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.084 0.720 19218 195 1 2 . 1 1 16 16 ALA CB C 16 17.349 17.349 17.950 -0.601 19218 196 1 2 . 1 1 16 16 ALA H H 16 8.597 8.597 7.692 0.905 19218 197 1 2 . 1 1 17 17 GLU N N 17 115.381 115.381 118.408 -3.027 19218 198 1 2 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.924 -0.268 19218 199 1 2 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.575 -0.225 19218 200 1 2 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.380 -0.168 19218 201 1 2 . 1 1 17 17 GLU H H 17 8.033 8.033 7.637 0.396 19218 202 1 2 . 1 1 18 18 GLU N N 18 118.231 118.231 118.698 -0.467 19218 203 1 2 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.086 -0.229 19218 204 1 2 . 1 1 18 18 GLU CA C 18 59.105 59.105 59.307 -0.202 19218 205 1 2 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.297 -0.060 19218 206 1 2 . 1 1 18 18 GLU H H 18 7.884 7.884 7.531 0.353 19218 207 1 2 . 1 1 19 19 MET N N 19 119.064 119.064 117.474 1.590 19218 208 1 2 . 1 1 19 19 MET HA H 19 3.893 3.893 4.269 -0.376 19218 209 1 2 . 1 1 19 19 MET CA C 19 60.090 60.090 57.865 2.225 19218 210 1 2 . 1 1 19 19 MET CB C 19 33.764 33.764 32.145 1.619 19218 211 1 2 . 1 1 19 19 MET H H 19 8.384 8.384 7.298 1.086 19218 212 1 2 . 1 1 20 20 ILE N N 20 111.356 111.356 114.690 -3.334 19218 213 1 2 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.214 -0.392 19218 214 1 2 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.455 0.195 19218 215 1 2 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.135 -0.577 19218 216 1 2 . 1 1 20 20 ILE H H 20 7.472 7.472 7.952 -0.480 19218 217 1 2 . 1 1 21 21 LYS N N 21 119.838 119.838 120.888 -1.050 19218 218 1 2 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.988 0.063 19218 219 1 2 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.589 -1.903 19218 220 1 2 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.149 0.146 19218 221 1 2 . 1 1 21 21 LYS H H 21 7.356 7.356 7.691 -0.335 19218 222 1 2 . 1 1 22 22 SER N N 22 111.769 111.769 111.356 0.413 19218 223 1 2 . 1 1 22 22 SER HA H 22 4.142 4.142 4.429 -0.287 19218 224 1 2 . 1 1 22 22 SER CA C 22 59.093 59.093 59.275 -0.182 19218 225 1 2 . 1 1 22 22 SER CB C 22 63.622 63.622 63.801 -0.179 19218 226 1 2 . 1 1 22 22 SER H H 22 7.420 7.420 7.797 -0.377 19218 227 1 2 . 1 1 23 23 HIS N N 23 117.400 117.400 118.660 -1.260 19218 228 1 2 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.828 0.254 19218 229 1 2 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.802 -1.903 19218 230 1 2 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.913 -0.433 19218 231 1 2 . 1 1 23 23 HIS H H 23 6.849 6.849 7.594 -0.745 19218 232 1 2 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.561 -0.490 19218 233 1 2 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.184 0.613 19218 234 1 2 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.532 -0.829 19218 235 1 2 . 1 1 25 25 TYR N N 25 113.093 113.093 119.679 -6.586 19218 236 1 2 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.785 0.213 19218 237 1 2 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.612 -0.623 19218 238 1 2 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.713 1.812 19218 239 1 2 . 1 1 25 25 TYR H H 25 7.830 7.830 8.005 -0.175 19218 240 1 2 . 1 1 26 26 PHE N N 26 127.175 127.175 121.729 5.446 19218 241 1 2 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.688 -0.373 19218 242 1 2 . 1 1 26 26 PHE CA C 26 56.685 56.685 56.365 0.320 19218 243 1 2 . 1 1 26 26 PHE CB C 26 42.995 42.995 42.913 0.082 19218 244 1 2 . 1 1 26 26 PHE H H 26 9.123 9.123 8.297 0.826 19218 245 1 2 . 1 1 27 27 GLN N N 27 128.714 128.714 124.443 4.271 19218 246 1 2 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.947 0.393 19218 247 1 2 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.806 -1.437 19218 248 1 2 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.386 2.485 19218 249 1 2 . 1 1 27 27 GLN H H 27 8.452 8.452 9.032 -0.580 19218 250 1 2 . 1 1 28 28 LEU N N 28 130.057 130.057 127.546 2.511 19218 251 1 2 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.470 -1.042 19218 252 1 2 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.188 0.729 19218 253 1 2 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.671 0.106 19218 254 1 2 . 1 1 28 28 LEU H H 28 8.725 8.725 8.474 0.251 19218 255 1 2 . 1 1 29 29 SER N N 29 122.598 122.598 117.642 4.956 19218 256 1 2 . 1 1 29 29 SER HA H 29 4.807 4.807 4.821 -0.014 19218 257 1 2 . 1 1 29 29 SER CA C 29 56.103 56.103 57.173 -1.070 19218 258 1 2 . 1 1 29 29 SER CB C 29 68.677 68.677 66.600 2.077 19218 259 1 2 . 1 1 29 29 SER H H 29 8.540 8.540 8.513 0.027 19218 260 1 2 . 1 1 30 30 ALA N N 30 121.919 121.919 122.999 -1.080 19218 261 1 2 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.738 -0.227 19218 262 1 2 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.378 0.845 19218 263 1 2 . 1 1 30 30 ALA CB C 30 21.448 21.448 20.485 0.963 19218 264 1 2 . 1 1 30 30 ALA H H 30 7.215 7.215 8.036 -0.821 19218 265 1 2 . 1 1 31 31 SER N N 31 121.144 121.144 116.634 4.510 19218 266 1 2 . 1 1 31 31 SER HA H 31 3.721 3.721 4.448 -0.727 19218 267 1 2 . 1 1 31 31 SER CA C 31 60.666 60.666 58.150 2.516 19218 268 1 2 . 1 1 31 31 SER CB C 31 61.979 61.979 62.417 -0.438 19218 269 1 2 . 1 1 31 31 SER H H 31 8.979 8.979 8.664 0.315 19218 270 1 2 . 1 1 32 32 TRP N N 32 113.811 113.811 122.263 -8.452 19218 271 1 2 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.324 0.142 19218 272 1 2 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.085 -2.975 19218 273 1 2 . 1 1 32 32 TRP CB C 32 29.431 29.431 28.064 1.367 19218 274 1 2 . 1 1 32 32 TRP H H 32 6.228 6.228 8.317 -2.089 19218 275 1 2 . 1 1 33 33 CYS N N 33 123.310 123.310 119.051 4.259 19218 276 1 2 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.567 0.346 19218 277 1 2 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.572 -1.111 19218 278 1 2 . 1 1 33 33 CYS CB C 33 26.864 26.864 27.698 -0.834 19218 279 1 2 . 1 1 33 33 CYS H H 33 7.346 7.346 8.117 -0.771 19218 280 1 2 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.241 0.051 19218 281 1 2 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.310 0.231 19218 282 1 2 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.938 0.275 19218 283 1 2 . 1 1 35 35 ASP N N 35 117.958 117.958 117.128 0.830 19218 284 1 2 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.689 0.045 19218 285 1 2 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.205 1.477 19218 286 1 2 . 1 1 35 35 ASP CB C 35 41.386 41.386 41.127 0.259 19218 287 1 2 . 1 1 35 35 ASP H H 35 7.757 7.757 8.662 -0.905 19218 288 1 2 . 1 1 36 36 CYS N N 36 117.708 117.708 118.628 -0.920 19218 289 1 2 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.221 -0.857 19218 290 1 2 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.455 1.259 19218 291 1 2 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.002 0.048 19218 292 1 2 . 1 1 36 36 CYS H H 36 7.621 7.621 8.195 -0.574 19218 293 1 2 . 1 1 37 37 VAL N N 37 122.173 122.173 120.938 1.235 19218 294 1 2 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.382 0.169 19218 295 1 2 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.553 -0.088 19218 296 1 2 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.465 -0.361 19218 297 1 2 . 1 1 37 37 VAL H H 37 7.400 7.400 7.893 -0.493 19218 298 1 2 . 1 1 38 38 TYR N N 38 119.439 119.439 119.798 -0.359 19218 299 1 2 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.011 0.190 19218 300 1 2 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.062 -1.866 19218 301 1 2 . 1 1 38 38 TYR CB C 38 37.129 37.129 37.861 -0.732 19218 302 1 2 . 1 1 38 38 TYR H H 38 7.782 7.782 7.529 0.253 19218 303 1 2 . 1 1 39 39 ALA N N 39 123.137 123.137 119.917 3.220 19218 304 1 2 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.657 -0.821 19218 305 1 2 . 1 1 39 39 ALA CA C 39 55.290 55.290 54.928 0.362 19218 306 1 2 . 1 1 39 39 ALA CB C 39 17.075 17.075 17.964 -0.889 19218 307 1 2 . 1 1 39 39 ALA H H 39 7.118 7.118 7.902 -0.784 19218 308 1 2 . 1 1 40 40 ASN N N 40 113.073 113.073 116.040 -2.967 19218 309 1 2 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.596 -0.162 19218 310 1 2 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.391 -0.138 19218 311 1 2 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.353 -1.614 19218 312 1 2 . 1 1 40 40 ASN H H 40 7.954 7.954 7.667 0.287 19218 313 1 2 . 1 1 41 41 SER N N 41 118.672 118.672 116.995 1.677 19218 314 1 2 . 1 1 41 41 SER HA H 41 4.166 4.166 4.152 0.014 19218 315 1 2 . 1 1 41 41 SER CA C 41 61.119 61.119 61.904 -0.785 19218 316 1 2 . 1 1 41 41 SER CB C 41 62.321 62.321 62.878 -0.557 19218 317 1 2 . 1 1 41 41 SER H H 41 8.097 8.097 8.017 0.080 19218 318 1 2 . 1 1 42 42 ILE N N 42 126.562 126.562 120.810 5.752 19218 319 1 2 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.785 -0.323 19218 320 1 2 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.237 -0.921 19218 321 1 2 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.631 -2.968 19218 322 1 2 . 1 1 42 42 ILE H H 42 6.995 6.995 7.553 -0.558 19218 323 1 3 . 1 1 10 10 SER N N 10 116.136 116.136 118.015 -1.879 19218 324 1 3 . 1 1 10 10 SER HA H 10 4.238 4.238 4.224 0.014 19218 325 1 3 . 1 1 10 10 SER CA C 10 59.536 59.536 60.601 -1.065 19218 326 1 3 . 1 1 10 10 SER CB C 10 62.858 62.858 62.723 0.135 19218 327 1 3 . 1 1 10 10 SER H H 10 8.600 8.600 8.440 0.160 19218 328 1 3 . 1 1 11 11 ALA N N 11 125.978 125.978 123.570 2.408 19218 329 1 3 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.048 0.076 19218 330 1 3 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.754 -0.460 19218 331 1 3 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.395 0.058 19218 332 1 3 . 1 1 11 11 ALA H H 11 8.301 8.301 8.417 -0.116 19218 333 1 3 . 1 1 12 12 PHE N N 12 116.204 116.204 117.160 -0.956 19218 334 1 3 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.290 -0.647 19218 335 1 3 . 1 1 12 12 PHE CA C 12 60.691 60.691 61.164 -0.473 19218 336 1 3 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.338 -0.828 19218 337 1 3 . 1 1 12 12 PHE H H 12 7.521 7.521 7.945 -0.424 19218 338 1 3 . 1 1 13 13 VAL N N 13 119.293 119.293 121.063 -1.770 19218 339 1 3 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.535 -0.174 19218 340 1 3 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.339 -0.232 19218 341 1 3 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.337 0.131 19218 342 1 3 . 1 1 13 13 VAL H H 13 7.693 7.693 7.756 -0.063 19218 343 1 3 . 1 1 14 14 THR N N 14 114.423 114.423 116.112 -1.689 19218 344 1 3 . 1 1 14 14 THR HA H 14 3.949 3.949 3.901 0.048 19218 345 1 3 . 1 1 14 14 THR CA C 14 66.076 66.076 67.335 -1.259 19218 346 1 3 . 1 1 14 14 THR CB C 14 68.449 68.449 68.399 0.050 19218 347 1 3 . 1 1 14 14 THR H H 14 7.902 7.902 8.517 -0.615 19218 348 1 3 . 1 1 15 15 LYS N N 15 120.738 120.738 121.554 -0.816 19218 349 1 3 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.929 0.237 19218 350 1 3 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.306 -0.722 19218 351 1 3 . 1 1 15 15 LYS CB C 15 32.325 32.325 32.001 0.324 19218 352 1 3 . 1 1 15 15 LYS H H 15 7.738 7.738 7.433 0.305 19218 353 1 3 . 1 1 16 16 ALA N N 16 123.499 123.499 121.828 1.671 19218 354 1 3 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.977 -0.110 19218 355 1 3 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.129 0.675 19218 356 1 3 . 1 1 16 16 ALA CB C 16 17.349 17.349 17.953 -0.605 19218 357 1 3 . 1 1 16 16 ALA H H 16 8.597 8.597 7.802 0.795 19218 358 1 3 . 1 1 17 17 GLU N N 17 115.381 115.381 118.531 -3.150 19218 359 1 3 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.922 -0.266 19218 360 1 3 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.669 -0.319 19218 361 1 3 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.609 -0.397 19218 362 1 3 . 1 1 17 17 GLU H H 17 8.033 8.033 7.902 0.131 19218 363 1 3 . 1 1 18 18 GLU N N 18 118.231 118.231 119.548 -1.317 19218 364 1 3 . 1 1 18 18 GLU HA H 18 3.857 3.857 3.997 -0.140 19218 365 1 3 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.968 0.137 19218 366 1 3 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.407 -0.171 19218 367 1 3 . 1 1 18 18 GLU H H 18 7.884 7.884 8.060 -0.176 19218 368 1 3 . 1 1 19 19 MET N N 19 119.064 119.064 118.059 1.005 19218 369 1 3 . 1 1 19 19 MET HA H 19 3.893 3.893 4.155 -0.262 19218 370 1 3 . 1 1 19 19 MET CA C 19 60.090 60.090 58.327 1.763 19218 371 1 3 . 1 1 19 19 MET CB C 19 33.764 33.764 32.694 1.069 19218 372 1 3 . 1 1 19 19 MET H H 19 8.384 8.384 7.641 0.743 19218 373 1 3 . 1 1 20 20 ILE N N 20 111.356 111.356 114.451 -3.095 19218 374 1 3 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.283 -0.461 19218 375 1 3 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.490 0.160 19218 376 1 3 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.320 -0.762 19218 377 1 3 . 1 1 20 20 ILE H H 20 7.472 7.472 7.783 -0.311 19218 378 1 3 . 1 1 21 21 LYS N N 21 119.838 119.838 120.956 -1.118 19218 379 1 3 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.970 0.081 19218 380 1 3 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.576 -1.890 19218 381 1 3 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.140 0.155 19218 382 1 3 . 1 1 21 21 LYS H H 21 7.356 7.356 7.802 -0.446 19218 383 1 3 . 1 1 22 22 SER N N 22 111.769 111.769 111.504 0.265 19218 384 1 3 . 1 1 22 22 SER HA H 22 4.142 4.142 4.413 -0.271 19218 385 1 3 . 1 1 22 22 SER CA C 22 59.093 59.093 59.467 -0.374 19218 386 1 3 . 1 1 22 22 SER CB C 22 63.622 63.622 63.992 -0.370 19218 387 1 3 . 1 1 22 22 SER H H 22 7.420 7.420 7.624 -0.204 19218 388 1 3 . 1 1 23 23 HIS N N 23 117.400 117.400 119.244 -1.844 19218 389 1 3 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.897 0.185 19218 390 1 3 . 1 1 23 23 HIS CA C 23 51.899 51.899 52.361 -0.462 19218 391 1 3 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.002 0.478 19218 392 1 3 . 1 1 23 23 HIS H H 23 6.849 6.849 7.870 -1.021 19218 393 1 3 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.603 -0.532 19218 394 1 3 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.459 0.338 19218 395 1 3 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.589 -0.886 19218 396 1 3 . 1 1 25 25 TYR N N 25 113.093 113.093 119.181 -6.088 19218 397 1 3 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.854 0.144 19218 398 1 3 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.432 -0.443 19218 399 1 3 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.602 1.923 19218 400 1 3 . 1 1 25 25 TYR H H 25 7.830 7.830 8.117 -0.287 19218 401 1 3 . 1 1 26 26 PHE N N 26 127.175 127.175 122.343 4.832 19218 402 1 3 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.828 -0.513 19218 403 1 3 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.272 1.413 19218 404 1 3 . 1 1 26 26 PHE CB C 26 42.995 42.995 42.747 0.248 19218 405 1 3 . 1 1 26 26 PHE H H 26 9.123 9.123 8.551 0.572 19218 406 1 3 . 1 1 27 27 GLN N N 27 128.714 128.714 127.300 1.414 19218 407 1 3 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.822 0.518 19218 408 1 3 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.435 -1.066 19218 409 1 3 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.093 3.778 19218 410 1 3 . 1 1 27 27 GLN H H 27 8.452 8.452 8.338 0.114 19218 411 1 3 . 1 1 28 28 LEU N N 28 130.057 130.057 129.319 0.738 19218 412 1 3 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.297 -0.869 19218 413 1 3 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.904 0.013 19218 414 1 3 . 1 1 28 28 LEU CB C 28 42.777 42.777 43.455 -0.678 19218 415 1 3 . 1 1 28 28 LEU H H 28 8.725 8.725 8.566 0.159 19218 416 1 3 . 1 1 29 29 SER N N 29 122.598 122.598 119.147 3.451 19218 417 1 3 . 1 1 29 29 SER HA H 29 4.807 4.807 4.963 -0.156 19218 418 1 3 . 1 1 29 29 SER CA C 29 56.103 56.103 56.392 -0.289 19218 419 1 3 . 1 1 29 29 SER CB C 29 68.677 68.677 65.703 2.974 19218 420 1 3 . 1 1 29 29 SER H H 29 8.540 8.540 8.189 0.351 19218 421 1 3 . 1 1 30 30 ALA N N 30 121.919 121.919 122.491 -0.572 19218 422 1 3 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.427 0.084 19218 423 1 3 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.251 -0.028 19218 424 1 3 . 1 1 30 30 ALA CB C 30 21.448 21.448 21.916 -0.468 19218 425 1 3 . 1 1 30 30 ALA H H 30 7.215 7.215 8.433 -1.218 19218 426 1 3 . 1 1 31 31 SER N N 31 121.144 121.144 117.722 3.422 19218 427 1 3 . 1 1 31 31 SER HA H 31 3.721 3.721 4.491 -0.770 19218 428 1 3 . 1 1 31 31 SER CA C 31 60.666 60.666 59.287 1.379 19218 429 1 3 . 1 1 31 31 SER CB C 31 61.979 61.979 61.164 0.815 19218 430 1 3 . 1 1 31 31 SER H H 31 8.979 8.979 8.598 0.382 19218 431 1 3 . 1 1 32 32 TRP N N 32 113.811 113.811 121.267 -7.456 19218 432 1 3 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.769 -0.303 19218 433 1 3 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.959 -3.849 19218 434 1 3 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.257 -0.826 19218 435 1 3 . 1 1 32 32 TRP H H 32 6.228 6.228 8.195 -1.967 19218 436 1 3 . 1 1 33 33 CYS N N 33 123.310 123.310 120.233 3.077 19218 437 1 3 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.999 -0.086 19218 438 1 3 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.257 -0.795 19218 439 1 3 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.660 -2.796 19218 440 1 3 . 1 1 33 33 CYS H H 33 7.346 7.346 8.153 -0.807 19218 441 1 3 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.277 0.014 19218 442 1 3 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.070 0.471 19218 443 1 3 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.745 0.468 19218 444 1 3 . 1 1 35 35 ASP N N 35 117.958 117.958 118.414 -0.456 19218 445 1 3 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.428 0.306 19218 446 1 3 . 1 1 35 35 ASP CA C 35 57.682 57.682 58.178 -0.496 19218 447 1 3 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.306 1.079 19218 448 1 3 . 1 1 35 35 ASP H H 35 7.757 7.757 8.787 -1.030 19218 449 1 3 . 1 1 36 36 CYS N N 36 117.708 117.708 118.242 -0.534 19218 450 1 3 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.114 -0.750 19218 451 1 3 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.978 -0.265 19218 452 1 3 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.796 -0.746 19218 453 1 3 . 1 1 36 36 CYS H H 36 7.621 7.621 7.658 -0.037 19218 454 1 3 . 1 1 37 37 VAL N N 37 122.173 122.173 117.389 4.784 19218 455 1 3 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.679 -0.129 19218 456 1 3 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.926 0.539 19218 457 1 3 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.112 -0.009 19218 458 1 3 . 1 1 37 37 VAL H H 37 7.400 7.400 7.901 -0.500 19218 459 1 3 . 1 1 38 38 TYR N N 38 119.439 119.439 122.183 -2.744 19218 460 1 3 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.465 -0.264 19218 461 1 3 . 1 1 38 38 TYR CA C 38 60.196 60.196 60.512 -0.316 19218 462 1 3 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.533 -1.405 19218 463 1 3 . 1 1 38 38 TYR H H 38 7.782 7.782 8.646 -0.864 19218 464 1 3 . 1 1 39 39 ALA N N 39 123.137 123.137 122.059 1.078 19218 465 1 3 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.974 -1.138 19218 466 1 3 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.397 -0.107 19218 467 1 3 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.339 -1.264 19218 468 1 3 . 1 1 39 39 ALA H H 39 7.118 7.118 8.369 -1.251 19218 469 1 3 . 1 1 40 40 ASN N N 40 113.073 113.073 116.593 -3.520 19218 470 1 3 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.568 -0.134 19218 471 1 3 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.563 -0.310 19218 472 1 3 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.456 -1.717 19218 473 1 3 . 1 1 40 40 ASN H H 40 7.954 7.954 8.242 -0.288 19218 474 1 3 . 1 1 41 41 SER N N 41 118.672 118.672 117.464 1.208 19218 475 1 3 . 1 1 41 41 SER HA H 41 4.166 4.166 4.231 -0.065 19218 476 1 3 . 1 1 41 41 SER CA C 41 61.119 61.119 61.520 -0.401 19218 477 1 3 . 1 1 41 41 SER CB C 41 62.321 62.321 63.167 -0.846 19218 478 1 3 . 1 1 41 41 SER H H 41 8.097 8.097 8.009 0.088 19218 479 1 3 . 1 1 42 42 ILE N N 42 126.562 126.562 121.707 4.855 19218 480 1 3 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.822 -0.360 19218 481 1 3 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.261 -0.945 19218 482 1 3 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.822 -3.159 19218 483 1 3 . 1 1 42 42 ILE H H 42 6.995 6.995 7.467 -0.472 19218 484 1 4 . 1 1 10 10 SER N N 10 116.136 116.136 114.708 1.428 19218 485 1 4 . 1 1 10 10 SER HA H 10 4.238 4.238 4.506 -0.268 19218 486 1 4 . 1 1 10 10 SER CA C 10 59.536 59.536 58.566 0.970 19218 487 1 4 . 1 1 10 10 SER CB C 10 62.858 62.858 63.292 -0.434 19218 488 1 4 . 1 1 10 10 SER H H 10 8.600 8.600 7.780 0.820 19218 489 1 4 . 1 1 11 11 ALA N N 11 125.978 125.978 125.443 0.535 19218 490 1 4 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.165 -0.041 19218 491 1 4 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.531 -0.237 19218 492 1 4 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.423 0.030 19218 493 1 4 . 1 1 11 11 ALA H H 11 8.301 8.301 8.429 -0.128 19218 494 1 4 . 1 1 12 12 PHE N N 12 116.204 116.204 118.783 -2.579 19218 495 1 4 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.404 -0.761 19218 496 1 4 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.504 1.187 19218 497 1 4 . 1 1 12 12 PHE CB C 12 38.510 38.510 38.540 -0.030 19218 498 1 4 . 1 1 12 12 PHE H H 12 7.521 7.521 8.072 -0.551 19218 499 1 4 . 1 1 13 13 VAL N N 13 119.293 119.293 119.734 -0.441 19218 500 1 4 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.669 -0.308 19218 501 1 4 . 1 1 13 13 VAL CA C 13 67.107 67.107 65.938 1.169 19218 502 1 4 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.119 0.349 19218 503 1 4 . 1 1 13 13 VAL H H 13 7.693 7.693 7.932 -0.239 19218 504 1 4 . 1 1 14 14 THR N N 14 114.423 114.423 115.075 -0.652 19218 505 1 4 . 1 1 14 14 THR HA H 14 3.949 3.949 3.932 0.017 19218 506 1 4 . 1 1 14 14 THR CA C 14 66.076 66.076 67.072 -0.996 19218 507 1 4 . 1 1 14 14 THR CB C 14 68.449 68.449 68.423 0.026 19218 508 1 4 . 1 1 14 14 THR H H 14 7.902 7.902 8.425 -0.523 19218 509 1 4 . 1 1 15 15 LYS N N 15 120.738 120.738 121.451 -0.713 19218 510 1 4 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.957 0.209 19218 511 1 4 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.525 -0.941 19218 512 1 4 . 1 1 15 15 LYS CB C 15 32.325 32.325 32.335 -0.010 19218 513 1 4 . 1 1 15 15 LYS H H 15 7.738 7.738 7.442 0.296 19218 514 1 4 . 1 1 16 16 ALA N N 16 123.499 123.499 121.182 2.317 19218 515 1 4 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.076 -0.209 19218 516 1 4 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.129 0.675 19218 517 1 4 . 1 1 16 16 ALA CB C 16 17.349 17.349 17.949 -0.600 19218 518 1 4 . 1 1 16 16 ALA H H 16 8.597 8.597 7.601 0.996 19218 519 1 4 . 1 1 17 17 GLU N N 17 115.381 115.381 118.513 -3.132 19218 520 1 4 . 1 1 17 17 GLU HA H 17 3.656 3.656 4.027 -0.371 19218 521 1 4 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.555 -0.205 19218 522 1 4 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.614 -0.402 19218 523 1 4 . 1 1 17 17 GLU H H 17 8.033 8.033 7.695 0.338 19218 524 1 4 . 1 1 18 18 GLU N N 18 118.231 118.231 119.062 -0.831 19218 525 1 4 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.038 -0.181 19218 526 1 4 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.880 0.225 19218 527 1 4 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.382 -0.146 19218 528 1 4 . 1 1 18 18 GLU H H 18 7.884 7.884 7.705 0.179 19218 529 1 4 . 1 1 19 19 MET N N 19 119.064 119.064 117.996 1.068 19218 530 1 4 . 1 1 19 19 MET HA H 19 3.893 3.893 4.180 -0.287 19218 531 1 4 . 1 1 19 19 MET CA C 19 60.090 60.090 59.522 0.568 19218 532 1 4 . 1 1 19 19 MET CB C 19 33.764 33.764 33.145 0.619 19218 533 1 4 . 1 1 19 19 MET H H 19 8.384 8.384 7.350 1.034 19218 534 1 4 . 1 1 20 20 ILE N N 20 111.356 111.356 114.666 -3.310 19218 535 1 4 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.199 -0.377 19218 536 1 4 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.414 0.236 19218 537 1 4 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.318 -0.760 19218 538 1 4 . 1 1 20 20 ILE H H 20 7.472 7.472 7.756 -0.284 19218 539 1 4 . 1 1 21 21 LYS N N 21 119.838 119.838 121.369 -1.531 19218 540 1 4 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.985 0.066 19218 541 1 4 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.686 -2.000 19218 542 1 4 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.274 0.021 19218 543 1 4 . 1 1 21 21 LYS H H 21 7.356 7.356 7.611 -0.255 19218 544 1 4 . 1 1 22 22 SER N N 22 111.769 111.769 110.821 0.948 19218 545 1 4 . 1 1 22 22 SER HA H 22 4.142 4.142 4.420 -0.278 19218 546 1 4 . 1 1 22 22 SER CA C 22 59.093 59.093 59.877 -0.784 19218 547 1 4 . 1 1 22 22 SER CB C 22 63.622 63.622 63.840 -0.218 19218 548 1 4 . 1 1 22 22 SER H H 22 7.420 7.420 7.654 -0.234 19218 549 1 4 . 1 1 23 23 HIS N N 23 117.400 117.400 118.347 -0.947 19218 550 1 4 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.111 -0.029 19218 551 1 4 . 1 1 23 23 HIS CA C 23 51.899 51.899 52.966 -1.067 19218 552 1 4 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.340 0.140 19218 553 1 4 . 1 1 23 23 HIS H H 23 6.849 6.849 7.544 -0.695 19218 554 1 4 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.501 -0.430 19218 555 1 4 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.318 0.479 19218 556 1 4 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.257 -0.554 19218 557 1 4 . 1 1 25 25 TYR N N 25 113.093 113.093 118.878 -5.785 19218 558 1 4 . 1 1 25 25 TYR HA H 25 4.998 4.998 5.004 -0.006 19218 559 1 4 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.790 -0.801 19218 560 1 4 . 1 1 25 25 TYR CB C 25 38.525 38.525 37.001 1.524 19218 561 1 4 . 1 1 25 25 TYR H H 25 7.830 7.830 8.185 -0.355 19218 562 1 4 . 1 1 26 26 PHE N N 26 127.175 127.175 122.175 5.000 19218 563 1 4 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.854 -0.539 19218 564 1 4 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.617 1.068 19218 565 1 4 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.300 -0.305 19218 566 1 4 . 1 1 26 26 PHE H H 26 9.123 9.123 7.974 1.149 19218 567 1 4 . 1 1 27 27 GLN N N 27 128.714 128.714 123.005 5.709 19218 568 1 4 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.770 0.570 19218 569 1 4 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.567 -1.198 19218 570 1 4 . 1 1 27 27 GLN CB C 27 34.871 34.871 33.315 1.556 19218 571 1 4 . 1 1 27 27 GLN H H 27 8.452 8.452 8.154 0.298 19218 572 1 4 . 1 1 28 28 LEU N N 28 130.057 130.057 126.728 3.329 19218 573 1 4 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.055 -0.627 19218 574 1 4 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.244 0.673 19218 575 1 4 . 1 1 28 28 LEU CB C 28 42.777 42.777 44.598 -1.821 19218 576 1 4 . 1 1 28 28 LEU H H 28 8.725 8.725 8.279 0.446 19218 577 1 4 . 1 1 29 29 SER N N 29 122.598 122.598 118.400 4.198 19218 578 1 4 . 1 1 29 29 SER HA H 29 4.807 4.807 4.776 0.031 19218 579 1 4 . 1 1 29 29 SER CA C 29 56.103 56.103 56.918 -0.815 19218 580 1 4 . 1 1 29 29 SER CB C 29 68.677 68.677 66.632 2.045 19218 581 1 4 . 1 1 29 29 SER H H 29 8.540 8.540 7.829 0.711 19218 582 1 4 . 1 1 30 30 ALA N N 30 121.919 121.919 126.071 -4.152 19218 583 1 4 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.253 0.258 19218 584 1 4 . 1 1 30 30 ALA CA C 30 51.223 51.223 54.124 -2.901 19218 585 1 4 . 1 1 30 30 ALA CB C 30 21.448 21.448 18.649 2.799 19218 586 1 4 . 1 1 30 30 ALA H H 30 7.215 7.215 8.616 -1.401 19218 587 1 4 . 1 1 31 31 SER N N 31 121.144 121.144 109.894 11.250 19218 588 1 4 . 1 1 31 31 SER HA H 31 3.721 3.721 4.190 -0.469 19218 589 1 4 . 1 1 31 31 SER CA C 31 60.666 60.666 59.690 0.976 19218 590 1 4 . 1 1 31 31 SER CB C 31 61.979 61.979 60.907 1.072 19218 591 1 4 . 1 1 31 31 SER H H 31 8.979 8.979 8.417 0.562 19218 592 1 4 . 1 1 32 32 TRP N N 32 113.811 113.811 115.147 -1.336 19218 593 1 4 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.876 -0.410 19218 594 1 4 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.608 -3.498 19218 595 1 4 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.824 -0.393 19218 596 1 4 . 1 1 32 32 TRP H H 32 6.228 6.228 7.875 -1.647 19218 597 1 4 . 1 1 33 33 CYS N N 33 123.310 123.310 120.153 3.157 19218 598 1 4 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.579 0.334 19218 599 1 4 . 1 1 33 33 CYS CA C 33 55.462 55.462 54.184 1.278 19218 600 1 4 . 1 1 33 33 CYS CB C 33 26.864 26.864 27.451 -0.587 19218 601 1 4 . 1 1 33 33 CYS H H 33 7.346 7.346 6.702 0.644 19218 602 1 4 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.065 0.227 19218 603 1 4 . 1 1 34 34 PRO CA C 34 65.541 65.541 64.852 0.689 19218 604 1 4 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.796 0.417 19218 605 1 4 . 1 1 35 35 ASP N N 35 117.958 117.958 118.069 -0.111 19218 606 1 4 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.311 0.423 19218 607 1 4 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.073 0.609 19218 608 1 4 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.421 0.965 19218 609 1 4 . 1 1 35 35 ASP H H 35 7.757 7.757 8.515 -0.758 19218 610 1 4 . 1 1 36 36 CYS N N 36 117.708 117.708 115.183 2.525 19218 611 1 4 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.211 -0.847 19218 612 1 4 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.137 1.577 19218 613 1 4 . 1 1 36 36 CYS CB C 36 27.050 27.050 28.035 -0.985 19218 614 1 4 . 1 1 36 36 CYS H H 36 7.621 7.621 7.467 0.154 19218 615 1 4 . 1 1 37 37 VAL N N 37 122.173 122.173 121.994 0.179 19218 616 1 4 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.567 -0.016 19218 617 1 4 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.180 0.284 19218 618 1 4 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.325 -0.222 19218 619 1 4 . 1 1 37 37 VAL H H 37 7.400 7.400 7.295 0.105 19218 620 1 4 . 1 1 38 38 TYR N N 38 119.439 119.439 120.945 -1.506 19218 621 1 4 . 1 1 38 38 TYR HA H 38 4.201 4.201 3.965 0.236 19218 622 1 4 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.366 -2.170 19218 623 1 4 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.282 -1.153 19218 624 1 4 . 1 1 38 38 TYR H H 38 7.782 7.782 8.118 -0.336 19218 625 1 4 . 1 1 39 39 ALA N N 39 123.137 123.137 119.792 3.345 19218 626 1 4 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.901 -1.065 19218 627 1 4 . 1 1 39 39 ALA CA C 39 55.290 55.290 54.865 0.425 19218 628 1 4 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.245 -1.170 19218 629 1 4 . 1 1 39 39 ALA H H 39 7.118 7.118 8.019 -0.901 19218 630 1 4 . 1 1 40 40 ASN N N 40 113.073 113.073 115.865 -2.792 19218 631 1 4 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.443 -0.009 19218 632 1 4 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.691 -0.438 19218 633 1 4 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.348 -1.609 19218 634 1 4 . 1 1 40 40 ASN H H 40 7.954 7.954 7.880 0.074 19218 635 1 4 . 1 1 41 41 SER N N 41 118.672 118.672 116.954 1.718 19218 636 1 4 . 1 1 41 41 SER HA H 41 4.166 4.166 4.250 -0.084 19218 637 1 4 . 1 1 41 41 SER CA C 41 61.119 61.119 61.562 -0.443 19218 638 1 4 . 1 1 41 41 SER CB C 41 62.321 62.321 62.914 -0.593 19218 639 1 4 . 1 1 41 41 SER H H 41 8.097 8.097 8.072 0.024 19218 640 1 4 . 1 1 42 42 ILE N N 42 126.562 126.562 121.150 5.412 19218 641 1 4 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.810 -0.348 19218 642 1 4 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.183 -0.867 19218 643 1 4 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.647 -2.984 19218 644 1 4 . 1 1 42 42 ILE H H 42 6.995 6.995 7.424 -0.429 19218 645 1 5 . 1 1 10 10 SER N N 10 116.136 116.136 117.587 -1.451 19218 646 1 5 . 1 1 10 10 SER HA H 10 4.238 4.238 4.241 -0.003 19218 647 1 5 . 1 1 10 10 SER CA C 10 59.536 59.536 60.667 -1.131 19218 648 1 5 . 1 1 10 10 SER CB C 10 62.858 62.858 62.978 -0.120 19218 649 1 5 . 1 1 10 10 SER H H 10 8.600 8.600 8.469 0.131 19218 650 1 5 . 1 1 11 11 ALA N N 11 125.978 125.978 124.542 1.436 19218 651 1 5 . 1 1 11 11 ALA HA H 11 4.124 4.124 3.994 0.130 19218 652 1 5 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.578 -0.284 19218 653 1 5 . 1 1 11 11 ALA CB C 11 18.453 18.453 17.988 0.465 19218 654 1 5 . 1 1 11 11 ALA H H 11 8.301 8.301 8.384 -0.083 19218 655 1 5 . 1 1 12 12 PHE N N 12 116.204 116.204 116.712 -0.508 19218 656 1 5 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.426 -0.783 19218 657 1 5 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.847 0.844 19218 658 1 5 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.378 -0.868 19218 659 1 5 . 1 1 12 12 PHE H H 12 7.521 7.521 7.566 -0.045 19218 660 1 5 . 1 1 13 13 VAL N N 13 119.293 119.293 121.041 -1.748 19218 661 1 5 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.620 -0.259 19218 662 1 5 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.240 0.867 19218 663 1 5 . 1 1 13 13 VAL CB C 13 31.468 31.468 30.653 0.815 19218 664 1 5 . 1 1 13 13 VAL H H 13 7.693 7.693 7.581 0.112 19218 665 1 5 . 1 1 14 14 THR N N 14 114.423 114.423 115.711 -1.288 19218 666 1 5 . 1 1 14 14 THR HA H 14 3.949 3.949 3.910 0.039 19218 667 1 5 . 1 1 14 14 THR CA C 14 66.076 66.076 67.360 -1.284 19218 668 1 5 . 1 1 14 14 THR CB C 14 68.449 68.449 68.490 -0.042 19218 669 1 5 . 1 1 14 14 THR H H 14 7.902 7.902 8.677 -0.775 19218 670 1 5 . 1 1 15 15 LYS N N 15 120.738 120.738 121.626 -0.888 19218 671 1 5 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.999 0.167 19218 672 1 5 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.483 -0.899 19218 673 1 5 . 1 1 15 15 LYS CB C 15 32.325 32.325 32.350 -0.025 19218 674 1 5 . 1 1 15 15 LYS H H 15 7.738 7.738 7.533 0.205 19218 675 1 5 . 1 1 16 16 ALA N N 16 123.499 123.499 121.562 1.937 19218 676 1 5 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.082 -0.215 19218 677 1 5 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.079 0.725 19218 678 1 5 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.067 -0.718 19218 679 1 5 . 1 1 16 16 ALA H H 16 8.597 8.597 8.479 0.118 19218 680 1 5 . 1 1 17 17 GLU N N 17 115.381 115.381 118.175 -2.794 19218 681 1 5 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.982 -0.326 19218 682 1 5 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.404 -0.054 19218 683 1 5 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.356 -0.144 19218 684 1 5 . 1 1 17 17 GLU H H 17 8.033 8.033 8.227 -0.194 19218 685 1 5 . 1 1 18 18 GLU N N 18 118.231 118.231 119.467 -1.236 19218 686 1 5 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.075 -0.218 19218 687 1 5 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.982 0.123 19218 688 1 5 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.489 -0.253 19218 689 1 5 . 1 1 18 18 GLU H H 18 7.884 7.884 7.597 0.287 19218 690 1 5 . 1 1 19 19 MET N N 19 119.064 119.064 118.257 0.807 19218 691 1 5 . 1 1 19 19 MET HA H 19 3.893 3.893 4.130 -0.237 19218 692 1 5 . 1 1 19 19 MET CA C 19 60.090 60.090 56.994 3.096 19218 693 1 5 . 1 1 19 19 MET CB C 19 33.764 33.764 32.287 1.477 19218 694 1 5 . 1 1 19 19 MET H H 19 8.384 8.384 7.311 1.073 19218 695 1 5 . 1 1 20 20 ILE N N 20 111.356 111.356 114.157 -2.801 19218 696 1 5 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.089 -0.267 19218 697 1 5 . 1 1 20 20 ILE CA C 20 63.650 63.650 62.993 0.657 19218 698 1 5 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.295 -0.737 19218 699 1 5 . 1 1 20 20 ILE H H 20 7.472 7.472 7.492 -0.020 19218 700 1 5 . 1 1 21 21 LYS N N 21 119.838 119.838 120.690 -0.852 19218 701 1 5 . 1 1 21 21 LYS HA H 21 4.051 4.051 4.009 0.042 19218 702 1 5 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.296 -1.610 19218 703 1 5 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.053 0.242 19218 704 1 5 . 1 1 21 21 LYS H H 21 7.356 7.356 7.314 0.042 19218 705 1 5 . 1 1 22 22 SER N N 22 111.769 111.769 111.740 0.029 19218 706 1 5 . 1 1 22 22 SER HA H 22 4.142 4.142 4.463 -0.321 19218 707 1 5 . 1 1 22 22 SER CA C 22 59.093 59.093 59.341 -0.248 19218 708 1 5 . 1 1 22 22 SER CB C 22 63.622 63.622 63.961 -0.339 19218 709 1 5 . 1 1 22 22 SER H H 22 7.420 7.420 7.680 -0.260 19218 710 1 5 . 1 1 23 23 HIS N N 23 117.400 117.400 119.664 -2.264 19218 711 1 5 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.164 -0.082 19218 712 1 5 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.893 -1.994 19218 713 1 5 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.974 -0.494 19218 714 1 5 . 1 1 23 23 HIS H H 23 6.849 6.849 7.942 -1.093 19218 715 1 5 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.473 -0.402 19218 716 1 5 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.233 0.564 19218 717 1 5 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.047 -0.344 19218 718 1 5 . 1 1 25 25 TYR N N 25 113.093 113.093 119.684 -6.591 19218 719 1 5 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.792 0.206 19218 720 1 5 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.459 -1.470 19218 721 1 5 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.824 1.702 19218 722 1 5 . 1 1 25 25 TYR H H 25 7.830 7.830 8.225 -0.395 19218 723 1 5 . 1 1 26 26 PHE N N 26 127.175 127.175 122.276 4.899 19218 724 1 5 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.771 -0.456 19218 725 1 5 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.405 1.280 19218 726 1 5 . 1 1 26 26 PHE CB C 26 42.995 42.995 42.955 0.040 19218 727 1 5 . 1 1 26 26 PHE H H 26 9.123 9.123 8.200 0.923 19218 728 1 5 . 1 1 27 27 GLN N N 27 128.714 128.714 125.423 3.291 19218 729 1 5 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.708 0.632 19218 730 1 5 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.347 -0.978 19218 731 1 5 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.086 2.785 19218 732 1 5 . 1 1 27 27 GLN H H 27 8.452 8.452 8.330 0.122 19218 733 1 5 . 1 1 28 28 LEU N N 28 130.057 130.057 129.006 1.051 19218 734 1 5 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.820 -0.392 19218 735 1 5 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.198 0.719 19218 736 1 5 . 1 1 28 28 LEU CB C 28 42.777 42.777 41.655 1.122 19218 737 1 5 . 1 1 28 28 LEU H H 28 8.725 8.725 8.625 0.100 19218 738 1 5 . 1 1 29 29 SER N N 29 122.598 122.598 120.088 2.510 19218 739 1 5 . 1 1 29 29 SER HA H 29 4.807 4.807 4.639 0.168 19218 740 1 5 . 1 1 29 29 SER CA C 29 56.103 56.103 57.259 -1.156 19218 741 1 5 . 1 1 29 29 SER CB C 29 68.677 68.677 65.900 2.777 19218 742 1 5 . 1 1 29 29 SER H H 29 8.540 8.540 7.933 0.607 19218 743 1 5 . 1 1 30 30 ALA N N 30 121.919 121.919 125.334 -3.415 19218 744 1 5 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.512 -0.001 19218 745 1 5 . 1 1 30 30 ALA CA C 30 51.223 51.223 52.017 -0.794 19218 746 1 5 . 1 1 30 30 ALA CB C 30 21.448 21.448 19.851 1.597 19218 747 1 5 . 1 1 30 30 ALA H H 30 7.215 7.215 8.365 -1.150 19218 748 1 5 . 1 1 31 31 SER N N 31 121.144 121.144 112.956 8.188 19218 749 1 5 . 1 1 31 31 SER HA H 31 3.721 3.721 4.249 -0.528 19218 750 1 5 . 1 1 31 31 SER CA C 31 60.666 60.666 59.723 0.943 19218 751 1 5 . 1 1 31 31 SER CB C 31 61.979 61.979 62.652 -0.673 19218 752 1 5 . 1 1 31 31 SER H H 31 8.979 8.979 8.100 0.879 19218 753 1 5 . 1 1 32 32 TRP N N 32 113.811 113.811 121.027 -7.216 19218 754 1 5 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.739 -0.273 19218 755 1 5 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.678 -3.568 19218 756 1 5 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.138 -0.707 19218 757 1 5 . 1 1 32 32 TRP H H 32 6.228 6.228 8.327 -2.099 19218 758 1 5 . 1 1 33 33 CYS N N 33 123.310 123.310 118.021 5.289 19218 759 1 5 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.896 0.017 19218 760 1 5 . 1 1 33 33 CYS CA C 33 55.462 55.462 55.250 0.212 19218 761 1 5 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.211 -2.347 19218 762 1 5 . 1 1 33 33 CYS H H 33 7.346 7.346 8.006 -0.660 19218 763 1 5 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.287 0.005 19218 764 1 5 . 1 1 34 34 PRO CA C 34 65.541 65.541 64.980 0.561 19218 765 1 5 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.888 0.325 19218 766 1 5 . 1 1 35 35 ASP N N 35 117.958 117.958 118.293 -0.335 19218 767 1 5 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.517 0.217 19218 768 1 5 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.336 0.346 19218 769 1 5 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.076 1.310 19218 770 1 5 . 1 1 35 35 ASP H H 35 7.757 7.757 8.507 -0.750 19218 771 1 5 . 1 1 36 36 CYS N N 36 117.708 117.708 119.219 -1.511 19218 772 1 5 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.267 -0.903 19218 773 1 5 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.674 1.040 19218 774 1 5 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.614 -0.564 19218 775 1 5 . 1 1 36 36 CYS H H 36 7.621 7.621 7.592 0.029 19218 776 1 5 . 1 1 37 37 VAL N N 37 122.173 122.173 119.032 3.141 19218 777 1 5 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.699 -0.148 19218 778 1 5 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.168 0.297 19218 779 1 5 . 1 1 37 37 VAL CB C 37 31.103 31.103 30.671 0.432 19218 780 1 5 . 1 1 37 37 VAL H H 37 7.400 7.400 7.497 -0.097 19218 781 1 5 . 1 1 38 38 TYR N N 38 119.439 119.439 121.423 -1.984 19218 782 1 5 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.124 0.077 19218 783 1 5 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.400 -1.204 19218 784 1 5 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.289 -1.161 19218 785 1 5 . 1 1 38 38 TYR H H 38 7.782 7.782 7.537 0.245 19218 786 1 5 . 1 1 39 39 ALA N N 39 123.137 123.137 121.212 1.925 19218 787 1 5 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.716 -0.880 19218 788 1 5 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.194 0.096 19218 789 1 5 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.032 -0.957 19218 790 1 5 . 1 1 39 39 ALA H H 39 7.118 7.118 7.672 -0.554 19218 791 1 5 . 1 1 40 40 ASN N N 40 113.073 113.073 115.741 -2.668 19218 792 1 5 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.433 0.001 19218 793 1 5 . 1 1 40 40 ASN CA C 40 55.253 55.253 56.333 -1.080 19218 794 1 5 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.539 -1.800 19218 795 1 5 . 1 1 40 40 ASN H H 40 7.954 7.954 8.117 -0.163 19218 796 1 5 . 1 1 41 41 SER N N 41 118.672 118.672 117.094 1.578 19218 797 1 5 . 1 1 41 41 SER HA H 41 4.166 4.166 4.211 -0.045 19218 798 1 5 . 1 1 41 41 SER CA C 41 61.119 61.119 61.619 -0.500 19218 799 1 5 . 1 1 41 41 SER CB C 41 62.321 62.321 62.781 -0.460 19218 800 1 5 . 1 1 41 41 SER H H 41 8.097 8.097 7.486 0.611 19218 801 1 5 . 1 1 42 42 ILE N N 42 126.562 126.562 120.796 5.766 19218 802 1 5 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.811 -0.349 19218 803 1 5 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.560 -1.244 19218 804 1 5 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.828 -3.164 19218 805 1 5 . 1 1 42 42 ILE H H 42 6.995 6.995 7.572 -0.577 19218 806 1 6 . 1 1 10 10 SER N N 10 116.136 116.136 118.914 -2.778 19218 807 1 6 . 1 1 10 10 SER HA H 10 4.238 4.238 4.125 0.113 19218 808 1 6 . 1 1 10 10 SER CA C 10 59.536 59.536 60.521 -0.985 19218 809 1 6 . 1 1 10 10 SER CB C 10 62.858 62.858 63.052 -0.194 19218 810 1 6 . 1 1 10 10 SER H H 10 8.600 8.600 8.721 -0.121 19218 811 1 6 . 1 1 11 11 ALA N N 11 125.978 125.978 123.925 2.053 19218 812 1 6 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.091 0.033 19218 813 1 6 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.611 -0.317 19218 814 1 6 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.070 0.383 19218 815 1 6 . 1 1 11 11 ALA H H 11 8.301 8.301 8.439 -0.138 19218 816 1 6 . 1 1 12 12 PHE N N 12 116.204 116.204 118.369 -2.165 19218 817 1 6 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.220 -0.577 19218 818 1 6 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.711 -0.020 19218 819 1 6 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.057 -1.547 19218 820 1 6 . 1 1 12 12 PHE H H 12 7.521 7.521 7.595 -0.074 19218 821 1 6 . 1 1 13 13 VAL N N 13 119.293 119.293 120.212 -0.919 19218 822 1 6 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.452 -0.091 19218 823 1 6 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.812 0.295 19218 824 1 6 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.396 0.072 19218 825 1 6 . 1 1 13 13 VAL H H 13 7.693 7.693 7.688 0.005 19218 826 1 6 . 1 1 14 14 THR N N 14 114.423 114.423 114.743 -0.320 19218 827 1 6 . 1 1 14 14 THR HA H 14 3.949 3.949 3.939 0.010 19218 828 1 6 . 1 1 14 14 THR CA C 14 66.076 66.076 66.467 -0.391 19218 829 1 6 . 1 1 14 14 THR CB C 14 68.449 68.449 67.993 0.456 19218 830 1 6 . 1 1 14 14 THR H H 14 7.902 7.902 8.572 -0.670 19218 831 1 6 . 1 1 15 15 LYS N N 15 120.738 120.738 120.993 -0.255 19218 832 1 6 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.889 0.277 19218 833 1 6 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.168 -0.584 19218 834 1 6 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.907 0.418 19218 835 1 6 . 1 1 15 15 LYS H H 15 7.738 7.738 7.363 0.375 19218 836 1 6 . 1 1 16 16 ALA N N 16 123.499 123.499 121.977 1.522 19218 837 1 6 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.889 -0.022 19218 838 1 6 . 1 1 16 16 ALA CA C 16 55.804 55.804 54.919 0.885 19218 839 1 6 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.109 -0.760 19218 840 1 6 . 1 1 16 16 ALA H H 16 8.597 8.597 7.443 1.154 19218 841 1 6 . 1 1 17 17 GLU N N 17 115.381 115.381 117.805 -2.424 19218 842 1 6 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.996 -0.340 19218 843 1 6 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.039 0.311 19218 844 1 6 . 1 1 17 17 GLU CB C 17 29.212 29.212 28.979 0.233 19218 845 1 6 . 1 1 17 17 GLU H H 17 8.033 8.033 7.668 0.365 19218 846 1 6 . 1 1 18 18 GLU N N 18 118.231 118.231 119.071 -0.840 19218 847 1 6 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.139 -0.282 19218 848 1 6 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.160 0.945 19218 849 1 6 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.082 0.154 19218 850 1 6 . 1 1 18 18 GLU H H 18 7.884 7.884 7.497 0.387 19218 851 1 6 . 1 1 19 19 MET N N 19 119.064 119.064 118.467 0.597 19218 852 1 6 . 1 1 19 19 MET HA H 19 3.893 3.893 4.155 -0.262 19218 853 1 6 . 1 1 19 19 MET CA C 19 60.090 60.090 59.989 0.101 19218 854 1 6 . 1 1 19 19 MET CB C 19 33.764 33.764 32.975 0.789 19218 855 1 6 . 1 1 19 19 MET H H 19 8.384 8.384 7.569 0.815 19218 856 1 6 . 1 1 20 20 ILE N N 20 111.356 111.356 114.870 -3.514 19218 857 1 6 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.225 -0.403 19218 858 1 6 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.503 0.147 19218 859 1 6 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.393 -0.835 19218 860 1 6 . 1 1 20 20 ILE H H 20 7.472 7.472 7.966 -0.494 19218 861 1 6 . 1 1 21 21 LYS N N 21 119.838 119.838 120.035 -0.197 19218 862 1 6 . 1 1 21 21 LYS HA H 21 4.051 4.051 4.002 0.049 19218 863 1 6 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.123 -1.437 19218 864 1 6 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.238 0.057 19218 865 1 6 . 1 1 21 21 LYS H H 21 7.356 7.356 7.641 -0.285 19218 866 1 6 . 1 1 22 22 SER N N 22 111.769 111.769 111.954 -0.185 19218 867 1 6 . 1 1 22 22 SER HA H 22 4.142 4.142 4.453 -0.311 19218 868 1 6 . 1 1 22 22 SER CA C 22 59.093 59.093 59.457 -0.364 19218 869 1 6 . 1 1 22 22 SER CB C 22 63.622 63.622 64.215 -0.593 19218 870 1 6 . 1 1 22 22 SER H H 22 7.420 7.420 7.682 -0.262 19218 871 1 6 . 1 1 23 23 HIS N N 23 117.400 117.400 119.478 -2.078 19218 872 1 6 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.966 0.116 19218 873 1 6 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.438 -1.539 19218 874 1 6 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.708 -0.228 19218 875 1 6 . 1 1 23 23 HIS H H 23 6.849 6.849 8.149 -1.300 19218 876 1 6 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.437 -0.366 19218 877 1 6 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.222 0.575 19218 878 1 6 . 1 1 24 24 PRO CB C 24 31.703 31.703 31.776 -0.073 19218 879 1 6 . 1 1 25 25 TYR N N 25 113.093 113.093 119.397 -6.304 19218 880 1 6 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.763 0.235 19218 881 1 6 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.575 -1.586 19218 882 1 6 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.679 1.845 19218 883 1 6 . 1 1 25 25 TYR H H 25 7.830 7.830 7.849 -0.019 19218 884 1 6 . 1 1 26 26 PHE N N 26 127.175 127.175 121.611 5.564 19218 885 1 6 . 1 1 26 26 PHE HA H 26 5.315 5.315 6.009 -0.694 19218 886 1 6 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.102 1.583 19218 887 1 6 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.151 -0.156 19218 888 1 6 . 1 1 26 26 PHE H H 26 9.123 9.123 8.245 0.878 19218 889 1 6 . 1 1 27 27 GLN N N 27 128.714 128.714 124.828 3.886 19218 890 1 6 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.707 0.633 19218 891 1 6 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.321 -0.952 19218 892 1 6 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.174 2.697 19218 893 1 6 . 1 1 27 27 GLN H H 27 8.452 8.452 8.731 -0.279 19218 894 1 6 . 1 1 28 28 LEU N N 28 130.057 130.057 129.419 0.638 19218 895 1 6 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.942 -0.514 19218 896 1 6 . 1 1 28 28 LEU CA C 28 54.917 54.917 53.902 1.015 19218 897 1 6 . 1 1 28 28 LEU CB C 28 42.777 42.777 41.798 0.979 19218 898 1 6 . 1 1 28 28 LEU H H 28 8.725 8.725 8.667 0.058 19218 899 1 6 . 1 1 29 29 SER N N 29 122.598 122.598 119.391 3.207 19218 900 1 6 . 1 1 29 29 SER HA H 29 4.807 4.807 4.697 0.110 19218 901 1 6 . 1 1 29 29 SER CA C 29 56.103 56.103 56.265 -0.162 19218 902 1 6 . 1 1 29 29 SER CB C 29 68.677 68.677 65.085 3.592 19218 903 1 6 . 1 1 29 29 SER H H 29 8.540 8.540 8.179 0.361 19218 904 1 6 . 1 1 30 30 ALA N N 30 121.919 121.919 122.553 -0.634 19218 905 1 6 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.710 -0.199 19218 906 1 6 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.793 0.430 19218 907 1 6 . 1 1 30 30 ALA CB C 30 21.448 21.448 21.696 -0.248 19218 908 1 6 . 1 1 30 30 ALA H H 30 7.215 7.215 8.304 -1.089 19218 909 1 6 . 1 1 31 31 SER N N 31 121.144 121.144 114.747 6.397 19218 910 1 6 . 1 1 31 31 SER HA H 31 3.721 3.721 4.649 -0.928 19218 911 1 6 . 1 1 31 31 SER CA C 31 60.666 60.666 59.013 1.653 19218 912 1 6 . 1 1 31 31 SER CB C 31 61.979 61.979 63.619 -1.640 19218 913 1 6 . 1 1 31 31 SER H H 31 8.979 8.979 8.840 0.139 19218 914 1 6 . 1 1 32 32 TRP N N 32 113.811 113.811 120.992 -7.181 19218 915 1 6 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.804 -0.338 19218 916 1 6 . 1 1 32 32 TRP CA C 32 54.110 54.110 56.609 -2.499 19218 917 1 6 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.920 -0.489 19218 918 1 6 . 1 1 32 32 TRP H H 32 6.228 6.228 7.755 -1.527 19218 919 1 6 . 1 1 33 33 CYS N N 33 123.310 123.310 121.787 1.523 19218 920 1 6 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.786 0.127 19218 921 1 6 . 1 1 33 33 CYS CA C 33 55.462 55.462 55.532 -0.070 19218 922 1 6 . 1 1 33 33 CYS CB C 33 26.864 26.864 30.862 -3.998 19218 923 1 6 . 1 1 33 33 CYS H H 33 7.346 7.346 8.043 -0.697 19218 924 1 6 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.263 0.029 19218 925 1 6 . 1 1 34 34 PRO CA C 34 65.541 65.541 64.931 0.610 19218 926 1 6 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.607 0.606 19218 927 1 6 . 1 1 35 35 ASP N N 35 117.958 117.958 115.202 2.756 19218 928 1 6 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.628 0.106 19218 929 1 6 . 1 1 35 35 ASP CA C 35 57.682 57.682 53.238 4.444 19218 930 1 6 . 1 1 35 35 ASP CB C 35 41.386 41.386 39.931 1.455 19218 931 1 6 . 1 1 35 35 ASP H H 35 7.757 7.757 8.497 -0.740 19218 932 1 6 . 1 1 36 36 CYS N N 36 117.708 117.708 117.446 0.262 19218 933 1 6 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.592 -1.228 19218 934 1 6 . 1 1 36 36 CYS CA C 36 62.714 62.714 60.176 2.538 19218 935 1 6 . 1 1 36 36 CYS CB C 36 27.050 27.050 30.724 -3.674 19218 936 1 6 . 1 1 36 36 CYS H H 36 7.621 7.621 7.388 0.233 19218 937 1 6 . 1 1 37 37 VAL N N 37 122.173 122.173 120.788 1.385 19218 938 1 6 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.734 -0.183 19218 939 1 6 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.880 0.585 19218 940 1 6 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.161 -0.058 19218 941 1 6 . 1 1 37 37 VAL H H 37 7.400 7.400 7.394 0.006 19218 942 1 6 . 1 1 38 38 TYR N N 38 119.439 119.439 120.280 -0.841 19218 943 1 6 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.049 0.152 19218 944 1 6 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.230 -2.034 19218 945 1 6 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.009 -0.880 19218 946 1 6 . 1 1 38 38 TYR H H 38 7.782 7.782 8.203 -0.421 19218 947 1 6 . 1 1 39 39 ALA N N 39 123.137 123.137 120.442 2.695 19218 948 1 6 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.840 -1.004 19218 949 1 6 . 1 1 39 39 ALA CA C 39 55.290 55.290 54.899 0.391 19218 950 1 6 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.101 -1.026 19218 951 1 6 . 1 1 39 39 ALA H H 39 7.118 7.118 8.424 -1.306 19218 952 1 6 . 1 1 40 40 ASN N N 40 113.073 113.073 115.746 -2.673 19218 953 1 6 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.443 -0.009 19218 954 1 6 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.165 0.088 19218 955 1 6 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.044 -1.305 19218 956 1 6 . 1 1 40 40 ASN H H 40 7.954 7.954 7.988 -0.034 19218 957 1 6 . 1 1 41 41 SER N N 41 118.672 118.672 116.983 1.689 19218 958 1 6 . 1 1 41 41 SER HA H 41 4.166 4.166 4.228 -0.062 19218 959 1 6 . 1 1 41 41 SER CA C 41 61.119 61.119 61.759 -0.640 19218 960 1 6 . 1 1 41 41 SER CB C 41 62.321 62.321 63.003 -0.682 19218 961 1 6 . 1 1 41 41 SER H H 41 8.097 8.097 8.014 0.083 19218 962 1 6 . 1 1 42 42 ILE N N 42 126.562 126.562 121.035 5.527 19218 963 1 6 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.772 -0.310 19218 964 1 6 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.574 -1.258 19218 965 1 6 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.727 -3.064 19218 966 1 6 . 1 1 42 42 ILE H H 42 6.995 6.995 7.705 -0.710 19218 967 1 7 . 1 1 10 10 SER N N 10 116.136 116.136 118.073 -1.937 19218 968 1 7 . 1 1 10 10 SER HA H 10 4.238 4.238 4.181 0.057 19218 969 1 7 . 1 1 10 10 SER CA C 10 59.536 59.536 61.547 -2.011 19218 970 1 7 . 1 1 10 10 SER CB C 10 62.858 62.858 62.839 0.019 19218 971 1 7 . 1 1 10 10 SER H H 10 8.600 8.600 8.881 -0.281 19218 972 1 7 . 1 1 11 11 ALA N N 11 125.978 125.978 123.982 1.996 19218 973 1 7 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.109 0.015 19218 974 1 7 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.571 -0.277 19218 975 1 7 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.203 0.250 19218 976 1 7 . 1 1 11 11 ALA H H 11 8.301 8.301 8.363 -0.062 19218 977 1 7 . 1 1 12 12 PHE N N 12 116.204 116.204 116.852 -0.648 19218 978 1 7 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.558 -0.915 19218 979 1 7 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.268 0.423 19218 980 1 7 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.453 -1.943 19218 981 1 7 . 1 1 12 12 PHE H H 12 7.521 7.521 7.821 -0.300 19218 982 1 7 . 1 1 13 13 VAL N N 13 119.293 119.293 121.353 -2.060 19218 983 1 7 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.517 -0.156 19218 984 1 7 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.899 -0.792 19218 985 1 7 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.508 -0.040 19218 986 1 7 . 1 1 13 13 VAL H H 13 7.693 7.693 8.672 -0.979 19218 987 1 7 . 1 1 14 14 THR N N 14 114.423 114.423 115.210 -0.787 19218 988 1 7 . 1 1 14 14 THR HA H 14 3.949 3.949 3.922 0.027 19218 989 1 7 . 1 1 14 14 THR CA C 14 66.076 66.076 66.823 -0.747 19218 990 1 7 . 1 1 14 14 THR CB C 14 68.449 68.449 68.511 -0.062 19218 991 1 7 . 1 1 14 14 THR H H 14 7.902 7.902 8.218 -0.316 19218 992 1 7 . 1 1 15 15 LYS N N 15 120.738 120.738 121.107 -0.369 19218 993 1 7 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.039 0.127 19218 994 1 7 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.506 -0.922 19218 995 1 7 . 1 1 15 15 LYS CB C 15 32.325 32.325 32.265 0.060 19218 996 1 7 . 1 1 15 15 LYS H H 15 7.738 7.738 7.922 -0.184 19218 997 1 7 . 1 1 16 16 ALA N N 16 123.499 123.499 122.177 1.322 19218 998 1 7 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.995 -0.128 19218 999 1 7 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.264 0.540 19218 1000 1 7 . 1 1 16 16 ALA CB C 16 17.349 17.349 17.925 -0.576 19218 1001 1 7 . 1 1 16 16 ALA H H 16 8.597 8.597 8.242 0.355 19218 1002 1 7 . 1 1 17 17 GLU N N 17 115.381 115.381 117.986 -2.605 19218 1003 1 7 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.828 -0.172 19218 1004 1 7 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.487 -0.137 19218 1005 1 7 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.386 -0.174 19218 1006 1 7 . 1 1 17 17 GLU H H 17 8.033 8.033 7.840 0.193 19218 1007 1 7 . 1 1 18 18 GLU N N 18 118.231 118.231 119.089 -0.858 19218 1008 1 7 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.059 -0.202 19218 1009 1 7 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.613 0.492 19218 1010 1 7 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.461 -0.225 19218 1011 1 7 . 1 1 18 18 GLU H H 18 7.884 7.884 7.463 0.421 19218 1012 1 7 . 1 1 19 19 MET N N 19 119.064 119.064 118.549 0.515 19218 1013 1 7 . 1 1 19 19 MET HA H 19 3.893 3.893 4.252 -0.359 19218 1014 1 7 . 1 1 19 19 MET CA C 19 60.090 60.090 57.245 2.845 19218 1015 1 7 . 1 1 19 19 MET CB C 19 33.764 33.764 32.644 1.120 19218 1016 1 7 . 1 1 19 19 MET H H 19 8.384 8.384 7.558 0.826 19218 1017 1 7 . 1 1 20 20 ILE N N 20 111.356 111.356 114.561 -3.205 19218 1018 1 7 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.066 -0.244 19218 1019 1 7 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.440 0.210 19218 1020 1 7 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.023 -0.465 19218 1021 1 7 . 1 1 20 20 ILE H H 20 7.472 7.472 7.758 -0.286 19218 1022 1 7 . 1 1 21 21 LYS N N 21 119.838 119.838 121.162 -1.324 19218 1023 1 7 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.968 0.083 19218 1024 1 7 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.523 -1.837 19218 1025 1 7 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.034 0.261 19218 1026 1 7 . 1 1 21 21 LYS H H 21 7.356 7.356 7.529 -0.173 19218 1027 1 7 . 1 1 22 22 SER N N 22 111.769 111.769 111.515 0.254 19218 1028 1 7 . 1 1 22 22 SER HA H 22 4.142 4.142 4.382 -0.240 19218 1029 1 7 . 1 1 22 22 SER CA C 22 59.093 59.093 59.962 -0.869 19218 1030 1 7 . 1 1 22 22 SER CB C 22 63.622 63.622 64.162 -0.540 19218 1031 1 7 . 1 1 22 22 SER H H 22 7.420 7.420 7.727 -0.307 19218 1032 1 7 . 1 1 23 23 HIS N N 23 117.400 117.400 119.695 -2.295 19218 1033 1 7 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.105 -0.023 19218 1034 1 7 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.920 -2.021 19218 1035 1 7 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.657 -1.177 19218 1036 1 7 . 1 1 23 23 HIS H H 23 6.849 6.849 7.600 -0.751 19218 1037 1 7 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.499 -0.428 19218 1038 1 7 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.035 0.762 19218 1039 1 7 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.138 -0.435 19218 1040 1 7 . 1 1 25 25 TYR N N 25 113.093 113.093 119.866 -6.773 19218 1041 1 7 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.843 0.155 19218 1042 1 7 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.253 -1.264 19218 1043 1 7 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.657 1.867 19218 1044 1 7 . 1 1 25 25 TYR H H 25 7.830 7.830 8.074 -0.244 19218 1045 1 7 . 1 1 26 26 PHE N N 26 127.175 127.175 121.450 5.725 19218 1046 1 7 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.847 -0.532 19218 1047 1 7 . 1 1 26 26 PHE CA C 26 56.685 56.685 56.383 0.302 19218 1048 1 7 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.344 -0.350 19218 1049 1 7 . 1 1 26 26 PHE H H 26 9.123 9.123 8.362 0.761 19218 1050 1 7 . 1 1 27 27 GLN N N 27 128.714 128.714 122.952 5.762 19218 1051 1 7 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.795 0.545 19218 1052 1 7 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.560 -1.191 19218 1053 1 7 . 1 1 27 27 GLN CB C 27 34.871 34.871 33.049 1.822 19218 1054 1 7 . 1 1 27 27 GLN H H 27 8.452 8.452 8.501 -0.049 19218 1055 1 7 . 1 1 28 28 LEU N N 28 130.057 130.057 128.256 1.801 19218 1056 1 7 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.605 -0.177 19218 1057 1 7 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.076 0.841 19218 1058 1 7 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.235 0.542 19218 1059 1 7 . 1 1 28 28 LEU H H 28 8.725 8.725 9.086 -0.361 19218 1060 1 7 . 1 1 29 29 SER N N 29 122.598 122.598 118.443 4.155 19218 1061 1 7 . 1 1 29 29 SER HA H 29 4.807 4.807 4.896 -0.089 19218 1062 1 7 . 1 1 29 29 SER CA C 29 56.103 56.103 57.156 -1.053 19218 1063 1 7 . 1 1 29 29 SER CB C 29 68.677 68.677 65.957 2.720 19218 1064 1 7 . 1 1 29 29 SER H H 29 8.540 8.540 8.058 0.482 19218 1065 1 7 . 1 1 30 30 ALA N N 30 121.919 121.919 121.508 0.411 19218 1066 1 7 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.715 -0.204 19218 1067 1 7 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.282 -0.060 19218 1068 1 7 . 1 1 30 30 ALA CB C 30 21.448 21.448 21.634 -0.186 19218 1069 1 7 . 1 1 30 30 ALA H H 30 7.215 7.215 8.336 -1.121 19218 1070 1 7 . 1 1 31 31 SER N N 31 121.144 121.144 114.312 6.832 19218 1071 1 7 . 1 1 31 31 SER HA H 31 3.721 3.721 4.555 -0.834 19218 1072 1 7 . 1 1 31 31 SER CA C 31 60.666 60.666 59.147 1.519 19218 1073 1 7 . 1 1 31 31 SER CB C 31 61.979 61.979 63.641 -1.662 19218 1074 1 7 . 1 1 31 31 SER H H 31 8.979 8.979 8.830 0.149 19218 1075 1 7 . 1 1 32 32 TRP N N 32 113.811 113.811 121.689 -7.878 19218 1076 1 7 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.654 -0.188 19218 1077 1 7 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.484 -3.374 19218 1078 1 7 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.666 -0.235 19218 1079 1 7 . 1 1 32 32 TRP H H 32 6.228 6.228 8.345 -2.117 19218 1080 1 7 . 1 1 33 33 CYS N N 33 123.310 123.310 120.225 3.085 19218 1081 1 7 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.434 0.479 19218 1082 1 7 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.753 -1.291 19218 1083 1 7 . 1 1 33 33 CYS CB C 33 26.864 26.864 28.891 -2.027 19218 1084 1 7 . 1 1 33 33 CYS H H 33 7.346 7.346 7.743 -0.397 19218 1085 1 7 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.289 0.003 19218 1086 1 7 . 1 1 34 34 PRO CA C 34 65.541 65.541 64.901 0.640 19218 1087 1 7 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.939 0.274 19218 1088 1 7 . 1 1 35 35 ASP N N 35 117.958 117.958 117.683 0.275 19218 1089 1 7 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.366 0.368 19218 1090 1 7 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.641 1.041 19218 1091 1 7 . 1 1 35 35 ASP CB C 35 41.386 41.386 39.175 2.211 19218 1092 1 7 . 1 1 35 35 ASP H H 35 7.757 7.757 8.643 -0.886 19218 1093 1 7 . 1 1 36 36 CYS N N 36 117.708 117.708 117.039 0.669 19218 1094 1 7 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.262 -0.898 19218 1095 1 7 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.536 0.178 19218 1096 1 7 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.391 -0.341 19218 1097 1 7 . 1 1 36 36 CYS H H 36 7.621 7.621 8.211 -0.590 19218 1098 1 7 . 1 1 37 37 VAL N N 37 122.173 122.173 120.121 2.052 19218 1099 1 7 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.730 -0.179 19218 1100 1 7 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.397 0.068 19218 1101 1 7 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.096 0.007 19218 1102 1 7 . 1 1 37 37 VAL H H 37 7.400 7.400 7.326 0.074 19218 1103 1 7 . 1 1 38 38 TYR N N 38 119.439 119.439 121.554 -2.115 19218 1104 1 7 . 1 1 38 38 TYR HA H 38 4.201 4.201 3.957 0.244 19218 1105 1 7 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.394 -2.198 19218 1106 1 7 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.087 -0.959 19218 1107 1 7 . 1 1 38 38 TYR H H 38 7.782 7.782 7.577 0.205 19218 1108 1 7 . 1 1 39 39 ALA N N 39 123.137 123.137 120.193 2.944 19218 1109 1 7 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.761 -0.925 19218 1110 1 7 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.089 0.201 19218 1111 1 7 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.168 -1.093 19218 1112 1 7 . 1 1 39 39 ALA H H 39 7.118 7.118 7.874 -0.756 19218 1113 1 7 . 1 1 40 40 ASN N N 40 113.073 113.073 115.761 -2.688 19218 1114 1 7 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.445 -0.011 19218 1115 1 7 . 1 1 40 40 ASN CA C 40 55.253 55.253 56.212 -0.960 19218 1116 1 7 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.572 -1.833 19218 1117 1 7 . 1 1 40 40 ASN H H 40 7.954 7.954 8.019 -0.065 19218 1118 1 7 . 1 1 41 41 SER N N 41 118.672 118.672 117.428 1.244 19218 1119 1 7 . 1 1 41 41 SER HA H 41 4.166 4.166 4.124 0.042 19218 1120 1 7 . 1 1 41 41 SER CA C 41 61.119 61.119 61.856 -0.737 19218 1121 1 7 . 1 1 41 41 SER CB C 41 62.321 62.321 63.032 -0.711 19218 1122 1 7 . 1 1 41 41 SER H H 41 8.097 8.097 8.051 0.046 19218 1123 1 7 . 1 1 42 42 ILE N N 42 126.562 126.562 120.839 5.723 19218 1124 1 7 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.781 -0.319 19218 1125 1 7 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.807 -1.491 19218 1126 1 7 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.874 -3.211 19218 1127 1 7 . 1 1 42 42 ILE H H 42 6.995 6.995 7.708 -0.713 19218 1128 1 8 . 1 1 10 10 SER N N 10 116.136 116.136 117.772 -1.636 19218 1129 1 8 . 1 1 10 10 SER HA H 10 4.238 4.238 4.209 0.029 19218 1130 1 8 . 1 1 10 10 SER CA C 10 59.536 59.536 60.432 -0.896 19218 1131 1 8 . 1 1 10 10 SER CB C 10 62.858 62.858 63.063 -0.205 19218 1132 1 8 . 1 1 10 10 SER H H 10 8.600 8.600 8.552 0.048 19218 1133 1 8 . 1 1 11 11 ALA N N 11 125.978 125.978 123.100 2.878 19218 1134 1 8 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.226 -0.102 19218 1135 1 8 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.081 0.213 19218 1136 1 8 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.463 -0.010 19218 1137 1 8 . 1 1 11 11 ALA H H 11 8.301 8.301 8.248 0.053 19218 1138 1 8 . 1 1 12 12 PHE N N 12 116.204 116.204 117.010 -0.806 19218 1139 1 8 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.547 -0.904 19218 1140 1 8 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.048 0.643 19218 1141 1 8 . 1 1 12 12 PHE CB C 12 38.510 38.510 42.127 -3.617 19218 1142 1 8 . 1 1 12 12 PHE H H 12 7.521 7.521 7.737 -0.216 19218 1143 1 8 . 1 1 13 13 VAL N N 13 119.293 119.293 120.124 -0.831 19218 1144 1 8 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.510 -0.149 19218 1145 1 8 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.415 0.693 19218 1146 1 8 . 1 1 13 13 VAL CB C 13 31.468 31.468 30.688 0.780 19218 1147 1 8 . 1 1 13 13 VAL H H 13 7.693 7.693 8.601 -0.908 19218 1148 1 8 . 1 1 14 14 THR N N 14 114.423 114.423 114.631 -0.208 19218 1149 1 8 . 1 1 14 14 THR HA H 14 3.949 3.949 3.866 0.083 19218 1150 1 8 . 1 1 14 14 THR CA C 14 66.076 66.076 66.921 -0.845 19218 1151 1 8 . 1 1 14 14 THR CB C 14 68.449 68.449 68.430 0.019 19218 1152 1 8 . 1 1 14 14 THR H H 14 7.902 7.902 7.550 0.352 19218 1153 1 8 . 1 1 15 15 LYS N N 15 120.738 120.738 120.138 0.600 19218 1154 1 8 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.983 0.183 19218 1155 1 8 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.177 -0.593 19218 1156 1 8 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.691 0.634 19218 1157 1 8 . 1 1 15 15 LYS H H 15 7.738 7.738 8.181 -0.443 19218 1158 1 8 . 1 1 16 16 ALA N N 16 123.499 123.499 121.841 1.658 19218 1159 1 8 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.871 -0.004 19218 1160 1 8 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.008 0.796 19218 1161 1 8 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.027 -0.678 19218 1162 1 8 . 1 1 16 16 ALA H H 16 8.597 8.597 7.490 1.107 19218 1163 1 8 . 1 1 17 17 GLU N N 17 115.381 115.381 117.789 -2.408 19218 1164 1 8 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.931 -0.275 19218 1165 1 8 . 1 1 17 17 GLU CA C 17 59.350 59.350 58.850 0.500 19218 1166 1 8 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.183 0.029 19218 1167 1 8 . 1 1 17 17 GLU H H 17 8.033 8.033 7.737 0.296 19218 1168 1 8 . 1 1 18 18 GLU N N 18 118.231 118.231 120.233 -2.002 19218 1169 1 8 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.012 -0.155 19218 1170 1 8 . 1 1 18 18 GLU CA C 18 59.105 59.105 59.188 -0.083 19218 1171 1 8 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.255 -0.019 19218 1172 1 8 . 1 1 18 18 GLU H H 18 7.884 7.884 7.912 -0.028 19218 1173 1 8 . 1 1 19 19 MET N N 19 119.064 119.064 117.959 1.105 19218 1174 1 8 . 1 1 19 19 MET HA H 19 3.893 3.893 3.966 -0.073 19218 1175 1 8 . 1 1 19 19 MET CA C 19 60.090 60.090 59.311 0.779 19218 1176 1 8 . 1 1 19 19 MET CB C 19 33.764 33.764 32.595 1.169 19218 1177 1 8 . 1 1 19 19 MET H H 19 8.384 8.384 7.760 0.624 19218 1178 1 8 . 1 1 20 20 ILE N N 20 111.356 111.356 114.302 -2.946 19218 1179 1 8 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.159 -0.337 19218 1180 1 8 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.364 0.286 19218 1181 1 8 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.356 -0.798 19218 1182 1 8 . 1 1 20 20 ILE H H 20 7.472 7.472 7.457 0.015 19218 1183 1 8 . 1 1 21 21 LYS N N 21 119.838 119.838 121.538 -1.700 19218 1184 1 8 . 1 1 21 21 LYS HA H 21 4.051 4.051 4.024 0.027 19218 1185 1 8 . 1 1 21 21 LYS CA C 21 57.686 57.686 58.968 -1.282 19218 1186 1 8 . 1 1 21 21 LYS CB C 21 32.295 32.295 31.848 0.447 19218 1187 1 8 . 1 1 21 21 LYS H H 21 7.356 7.356 7.752 -0.396 19218 1188 1 8 . 1 1 22 22 SER N N 22 111.769 111.769 112.232 -0.463 19218 1189 1 8 . 1 1 22 22 SER HA H 22 4.142 4.142 4.416 -0.274 19218 1190 1 8 . 1 1 22 22 SER CA C 22 59.093 59.093 59.928 -0.835 19218 1191 1 8 . 1 1 22 22 SER CB C 22 63.622 63.622 64.264 -0.642 19218 1192 1 8 . 1 1 22 22 SER H H 22 7.420 7.420 7.518 -0.098 19218 1193 1 8 . 1 1 23 23 HIS N N 23 117.400 117.400 119.694 -2.294 19218 1194 1 8 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.015 0.067 19218 1195 1 8 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.210 -1.311 19218 1196 1 8 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.759 -1.279 19218 1197 1 8 . 1 1 23 23 HIS H H 23 6.849 6.849 7.536 -0.687 19218 1198 1 8 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.449 -0.378 19218 1199 1 8 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.159 0.638 19218 1200 1 8 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.231 -0.528 19218 1201 1 8 . 1 1 25 25 TYR N N 25 113.093 113.093 117.766 -4.673 19218 1202 1 8 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.803 0.195 19218 1203 1 8 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.974 -0.985 19218 1204 1 8 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.808 1.717 19218 1205 1 8 . 1 1 25 25 TYR H H 25 7.830 7.830 8.140 -0.310 19218 1206 1 8 . 1 1 26 26 PHE N N 26 127.175 127.175 121.991 5.184 19218 1207 1 8 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.829 -0.514 19218 1208 1 8 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.324 1.361 19218 1209 1 8 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.219 -0.224 19218 1210 1 8 . 1 1 26 26 PHE H H 26 9.123 9.123 8.121 1.002 19218 1211 1 8 . 1 1 27 27 GLN N N 27 128.714 128.714 124.325 4.389 19218 1212 1 8 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.731 0.609 19218 1213 1 8 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.392 -1.023 19218 1214 1 8 . 1 1 27 27 GLN CB C 27 34.871 34.871 33.569 1.302 19218 1215 1 8 . 1 1 27 27 GLN H H 27 8.452 8.452 7.981 0.471 19218 1216 1 8 . 1 1 28 28 LEU N N 28 130.057 130.057 129.110 0.947 19218 1217 1 8 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.190 -0.762 19218 1218 1 8 . 1 1 28 28 LEU CA C 28 54.917 54.917 53.517 1.401 19218 1219 1 8 . 1 1 28 28 LEU CB C 28 42.777 42.777 44.533 -1.756 19218 1220 1 8 . 1 1 28 28 LEU H H 28 8.725 8.725 8.789 -0.064 19218 1221 1 8 . 1 1 29 29 SER N N 29 122.598 122.598 121.381 1.217 19218 1222 1 8 . 1 1 29 29 SER HA H 29 4.807 4.807 4.858 -0.051 19218 1223 1 8 . 1 1 29 29 SER CA C 29 56.103 56.103 56.581 -0.478 19218 1224 1 8 . 1 1 29 29 SER CB C 29 68.677 68.677 66.674 2.003 19218 1225 1 8 . 1 1 29 29 SER H H 29 8.540 8.540 8.012 0.528 19218 1226 1 8 . 1 1 30 30 ALA N N 30 121.919 121.919 123.648 -1.729 19218 1227 1 8 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.405 0.106 19218 1228 1 8 . 1 1 30 30 ALA CA C 30 51.223 51.223 54.060 -2.837 19218 1229 1 8 . 1 1 30 30 ALA CB C 30 21.448 21.448 19.175 2.273 19218 1230 1 8 . 1 1 30 30 ALA H H 30 7.215 7.215 8.232 -1.017 19218 1231 1 8 . 1 1 31 31 SER N N 31 121.144 121.144 110.702 10.442 19218 1232 1 8 . 1 1 31 31 SER HA H 31 3.721 3.721 4.126 -0.405 19218 1233 1 8 . 1 1 31 31 SER CA C 31 60.666 60.666 58.220 2.446 19218 1234 1 8 . 1 1 31 31 SER CB C 31 61.979 61.979 62.990 -1.011 19218 1235 1 8 . 1 1 31 31 SER H H 31 8.979 8.979 7.782 1.197 19218 1236 1 8 . 1 1 32 32 TRP N N 32 113.811 113.811 121.891 -8.080 19218 1237 1 8 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.894 -0.428 19218 1238 1 8 . 1 1 32 32 TRP CA C 32 54.110 54.110 56.472 -2.362 19218 1239 1 8 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.539 -1.108 19218 1240 1 8 . 1 1 32 32 TRP H H 32 6.228 6.228 7.668 -1.440 19218 1241 1 8 . 1 1 33 33 CYS N N 33 123.310 123.310 121.224 2.086 19218 1242 1 8 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.675 0.238 19218 1243 1 8 . 1 1 33 33 CYS CA C 33 55.462 55.462 57.447 -1.985 19218 1244 1 8 . 1 1 33 33 CYS CB C 33 26.864 26.864 30.112 -3.248 19218 1245 1 8 . 1 1 33 33 CYS H H 33 7.346 7.346 8.094 -0.748 19218 1246 1 8 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.375 -0.083 19218 1247 1 8 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.482 0.059 19218 1248 1 8 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.720 0.493 19218 1249 1 8 . 1 1 35 35 ASP N N 35 117.958 117.958 117.710 0.248 19218 1250 1 8 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.583 0.151 19218 1251 1 8 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.880 0.802 19218 1252 1 8 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.595 0.791 19218 1253 1 8 . 1 1 35 35 ASP H H 35 7.757 7.757 8.725 -0.968 19218 1254 1 8 . 1 1 36 36 CYS N N 36 117.708 117.708 118.332 -0.624 19218 1255 1 8 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.223 -0.859 19218 1256 1 8 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.645 0.069 19218 1257 1 8 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.413 -0.363 19218 1258 1 8 . 1 1 36 36 CYS H H 36 7.621 7.621 7.944 -0.323 19218 1259 1 8 . 1 1 37 37 VAL N N 37 122.173 122.173 120.799 1.374 19218 1260 1 8 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.754 -0.203 19218 1261 1 8 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.500 -0.035 19218 1262 1 8 . 1 1 37 37 VAL CB C 37 31.103 31.103 32.169 -1.066 19218 1263 1 8 . 1 1 37 37 VAL H H 37 7.400 7.400 8.170 -0.770 19218 1264 1 8 . 1 1 38 38 TYR N N 38 119.439 119.439 120.195 -0.756 19218 1265 1 8 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.056 0.145 19218 1266 1 8 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.002 -1.806 19218 1267 1 8 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.062 -0.933 19218 1268 1 8 . 1 1 38 38 TYR H H 38 7.782 7.782 7.733 0.049 19218 1269 1 8 . 1 1 39 39 ALA N N 39 123.137 123.137 120.399 2.738 19218 1270 1 8 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.907 -1.071 19218 1271 1 8 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.221 0.070 19218 1272 1 8 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.266 -1.191 19218 1273 1 8 . 1 1 39 39 ALA H H 39 7.118 7.118 7.795 -0.677 19218 1274 1 8 . 1 1 40 40 ASN N N 40 113.073 113.073 115.963 -2.890 19218 1275 1 8 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.425 0.009 19218 1276 1 8 . 1 1 40 40 ASN CA C 40 55.253 55.253 56.325 -1.073 19218 1277 1 8 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.591 -1.852 19218 1278 1 8 . 1 1 40 40 ASN H H 40 7.954 7.954 8.032 -0.078 19218 1279 1 8 . 1 1 41 41 SER N N 41 118.672 118.672 117.110 1.562 19218 1280 1 8 . 1 1 41 41 SER HA H 41 4.166 4.166 4.180 -0.014 19218 1281 1 8 . 1 1 41 41 SER CA C 41 61.119 61.119 61.738 -0.619 19218 1282 1 8 . 1 1 41 41 SER CB C 41 62.321 62.321 62.940 -0.619 19218 1283 1 8 . 1 1 41 41 SER H H 41 8.097 8.097 8.165 -0.068 19218 1284 1 8 . 1 1 42 42 ILE N N 42 126.562 126.562 121.261 5.301 19218 1285 1 8 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.959 -0.497 19218 1286 1 8 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.788 -1.472 19218 1287 1 8 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.957 -3.294 19218 1288 1 8 . 1 1 42 42 ILE H H 42 6.995 6.995 7.650 -0.655 19218 1289 1 9 . 1 1 10 10 SER N N 10 116.136 116.136 115.450 0.686 19218 1290 1 9 . 1 1 10 10 SER HA H 10 4.238 4.238 4.029 0.209 19218 1291 1 9 . 1 1 10 10 SER CA C 10 59.536 59.536 60.935 -1.399 19218 1292 1 9 . 1 1 10 10 SER CB C 10 62.858 62.858 62.097 0.761 19218 1293 1 9 . 1 1 10 10 SER H H 10 8.600 8.600 8.501 0.099 19218 1294 1 9 . 1 1 11 11 ALA N N 11 125.978 125.978 123.388 2.590 19218 1295 1 9 . 1 1 11 11 ALA HA H 11 4.124 4.124 3.957 0.167 19218 1296 1 9 . 1 1 11 11 ALA CA C 11 54.294 54.294 55.228 -0.934 19218 1297 1 9 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.706 -0.253 19218 1298 1 9 . 1 1 11 11 ALA H H 11 8.301 8.301 8.241 0.060 19218 1299 1 9 . 1 1 12 12 PHE N N 12 116.204 116.204 118.516 -2.312 19218 1300 1 9 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.421 -0.778 19218 1301 1 9 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.921 0.770 19218 1302 1 9 . 1 1 12 12 PHE CB C 12 38.510 38.510 38.751 -0.241 19218 1303 1 9 . 1 1 12 12 PHE H H 12 7.521 7.521 8.100 -0.579 19218 1304 1 9 . 1 1 13 13 VAL N N 13 119.293 119.293 120.085 -0.792 19218 1305 1 9 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.649 -0.288 19218 1306 1 9 . 1 1 13 13 VAL CA C 13 67.107 67.107 65.956 1.151 19218 1307 1 9 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.087 0.382 19218 1308 1 9 . 1 1 13 13 VAL H H 13 7.693 7.693 7.943 -0.250 19218 1309 1 9 . 1 1 14 14 THR N N 14 114.423 114.423 116.045 -1.622 19218 1310 1 9 . 1 1 14 14 THR HA H 14 3.949 3.949 3.936 0.013 19218 1311 1 9 . 1 1 14 14 THR CA C 14 66.076 66.076 67.459 -1.383 19218 1312 1 9 . 1 1 14 14 THR CB C 14 68.449 68.449 68.505 -0.056 19218 1313 1 9 . 1 1 14 14 THR H H 14 7.902 7.902 8.689 -0.787 19218 1314 1 9 . 1 1 15 15 LYS N N 15 120.738 120.738 122.097 -1.359 19218 1315 1 9 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.130 0.036 19218 1316 1 9 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.543 -0.959 19218 1317 1 9 . 1 1 15 15 LYS CB C 15 32.325 32.325 32.176 0.149 19218 1318 1 9 . 1 1 15 15 LYS H H 15 7.738 7.738 7.457 0.281 19218 1319 1 9 . 1 1 16 16 ALA N N 16 123.499 123.499 121.812 1.687 19218 1320 1 9 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.008 -0.141 19218 1321 1 9 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.177 0.627 19218 1322 1 9 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.024 -0.675 19218 1323 1 9 . 1 1 16 16 ALA H H 16 8.597 8.597 7.971 0.626 19218 1324 1 9 . 1 1 17 17 GLU N N 17 115.381 115.381 118.316 -2.935 19218 1325 1 9 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.962 -0.306 19218 1326 1 9 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.472 -0.122 19218 1327 1 9 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.611 -0.399 19218 1328 1 9 . 1 1 17 17 GLU H H 17 8.033 8.033 7.811 0.222 19218 1329 1 9 . 1 1 18 18 GLU N N 18 118.231 118.231 119.674 -1.443 19218 1330 1 9 . 1 1 18 18 GLU HA H 18 3.857 3.857 3.983 -0.126 19218 1331 1 9 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.964 0.141 19218 1332 1 9 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.476 -0.240 19218 1333 1 9 . 1 1 18 18 GLU H H 18 7.884 7.884 8.369 -0.485 19218 1334 1 9 . 1 1 19 19 MET N N 19 119.064 119.064 118.680 0.384 19218 1335 1 9 . 1 1 19 19 MET HA H 19 3.893 3.893 4.162 -0.269 19218 1336 1 9 . 1 1 19 19 MET CA C 19 60.090 60.090 59.003 1.087 19218 1337 1 9 . 1 1 19 19 MET CB C 19 33.764 33.764 32.908 0.856 19218 1338 1 9 . 1 1 19 19 MET H H 19 8.384 8.384 7.634 0.750 19218 1339 1 9 . 1 1 20 20 ILE N N 20 111.356 111.356 114.854 -3.498 19218 1340 1 9 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.311 -0.489 19218 1341 1 9 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.243 0.407 19218 1342 1 9 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.280 -0.722 19218 1343 1 9 . 1 1 20 20 ILE H H 20 7.472 7.472 7.570 -0.098 19218 1344 1 9 . 1 1 21 21 LYS N N 21 119.838 119.838 120.952 -1.114 19218 1345 1 9 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.938 0.113 19218 1346 1 9 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.882 -2.196 19218 1347 1 9 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.089 0.206 19218 1348 1 9 . 1 1 21 21 LYS H H 21 7.356 7.356 7.776 -0.420 19218 1349 1 9 . 1 1 22 22 SER N N 22 111.769 111.769 112.085 -0.316 19218 1350 1 9 . 1 1 22 22 SER HA H 22 4.142 4.142 4.341 -0.199 19218 1351 1 9 . 1 1 22 22 SER CA C 22 59.093 59.093 59.585 -0.492 19218 1352 1 9 . 1 1 22 22 SER CB C 22 63.622 63.622 63.858 -0.236 19218 1353 1 9 . 1 1 22 22 SER H H 22 7.420 7.420 7.620 -0.201 19218 1354 1 9 . 1 1 23 23 HIS N N 23 117.400 117.400 119.961 -2.561 19218 1355 1 9 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.096 -0.014 19218 1356 1 9 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.270 -1.371 19218 1357 1 9 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.893 -0.413 19218 1358 1 9 . 1 1 23 23 HIS H H 23 6.849 6.849 7.579 -0.730 19218 1359 1 9 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.609 -0.538 19218 1360 1 9 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.380 0.417 19218 1361 1 9 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.445 -0.742 19218 1362 1 9 . 1 1 25 25 TYR N N 25 113.093 113.093 119.438 -6.345 19218 1363 1 9 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.819 0.179 19218 1364 1 9 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.141 -1.151 19218 1365 1 9 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.737 1.788 19218 1366 1 9 . 1 1 25 25 TYR H H 25 7.830 7.830 8.145 -0.315 19218 1367 1 9 . 1 1 26 26 PHE N N 26 127.175 127.175 121.450 5.725 19218 1368 1 9 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.666 -0.351 19218 1369 1 9 . 1 1 26 26 PHE CA C 26 56.685 56.685 56.288 0.397 19218 1370 1 9 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.393 -0.398 19218 1371 1 9 . 1 1 26 26 PHE H H 26 9.123 9.123 8.253 0.870 19218 1372 1 9 . 1 1 27 27 GLN N N 27 128.714 128.714 123.625 5.089 19218 1373 1 9 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.827 0.513 19218 1374 1 9 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.755 -1.386 19218 1375 1 9 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.491 3.380 19218 1376 1 9 . 1 1 27 27 GLN H H 27 8.452 8.452 8.768 -0.316 19218 1377 1 9 . 1 1 28 28 LEU N N 28 130.057 130.057 130.008 0.049 19218 1378 1 9 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.891 -0.463 19218 1379 1 9 . 1 1 28 28 LEU CA C 28 54.917 54.917 55.095 -0.178 19218 1380 1 9 . 1 1 28 28 LEU CB C 28 42.777 42.777 41.796 0.981 19218 1381 1 9 . 1 1 28 28 LEU H H 28 8.725 8.725 8.492 0.233 19218 1382 1 9 . 1 1 29 29 SER N N 29 122.598 122.598 119.772 2.826 19218 1383 1 9 . 1 1 29 29 SER HA H 29 4.807 4.807 4.783 0.024 19218 1384 1 9 . 1 1 29 29 SER CA C 29 56.103 56.103 56.236 -0.133 19218 1385 1 9 . 1 1 29 29 SER CB C 29 68.677 68.677 65.690 2.987 19218 1386 1 9 . 1 1 29 29 SER H H 29 8.540 8.540 8.685 -0.145 19218 1387 1 9 . 1 1 30 30 ALA N N 30 121.919 121.919 123.819 -1.900 19218 1388 1 9 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.503 0.008 19218 1389 1 9 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.266 0.957 19218 1390 1 9 . 1 1 30 30 ALA CB C 30 21.448 21.448 20.018 1.430 19218 1391 1 9 . 1 1 30 30 ALA H H 30 7.215 7.215 8.156 -0.941 19218 1392 1 9 . 1 1 31 31 SER N N 31 121.144 121.144 116.677 4.467 19218 1393 1 9 . 1 1 31 31 SER HA H 31 3.721 3.721 4.535 -0.814 19218 1394 1 9 . 1 1 31 31 SER CA C 31 60.666 60.666 58.307 2.358 19218 1395 1 9 . 1 1 31 31 SER CB C 31 61.979 61.979 62.693 -0.714 19218 1396 1 9 . 1 1 31 31 SER H H 31 8.979 8.979 8.943 0.036 19218 1397 1 9 . 1 1 32 32 TRP N N 32 113.811 113.811 121.204 -7.393 19218 1398 1 9 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.692 -0.226 19218 1399 1 9 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.455 -3.345 19218 1400 1 9 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.458 -1.027 19218 1401 1 9 . 1 1 32 32 TRP H H 32 6.228 6.228 7.960 -1.732 19218 1402 1 9 . 1 1 33 33 CYS N N 33 123.310 123.310 122.308 1.002 19218 1403 1 9 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.768 0.145 19218 1404 1 9 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.324 -0.862 19218 1405 1 9 . 1 1 33 33 CYS CB C 33 26.864 26.864 27.878 -1.014 19218 1406 1 9 . 1 1 33 33 CYS H H 33 7.346 7.346 8.224 -0.878 19218 1407 1 9 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.378 -0.086 19218 1408 1 9 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.077 0.464 19218 1409 1 9 . 1 1 34 34 PRO CB C 34 32.213 32.213 32.094 0.119 19218 1410 1 9 . 1 1 35 35 ASP N N 35 117.958 117.958 118.785 -0.827 19218 1411 1 9 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.447 0.287 19218 1412 1 9 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.845 0.837 19218 1413 1 9 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.026 1.360 19218 1414 1 9 . 1 1 35 35 ASP H H 35 7.757 7.757 8.881 -1.124 19218 1415 1 9 . 1 1 36 36 CYS N N 36 117.708 117.708 117.112 0.596 19218 1416 1 9 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.313 -0.949 19218 1417 1 9 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.457 0.257 19218 1418 1 9 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.398 -0.348 19218 1419 1 9 . 1 1 36 36 CYS H H 36 7.621 7.621 7.806 -0.185 19218 1420 1 9 . 1 1 37 37 VAL N N 37 122.173 122.173 120.135 2.038 19218 1421 1 9 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.671 -0.120 19218 1422 1 9 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.386 0.079 19218 1423 1 9 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.127 -0.024 19218 1424 1 9 . 1 1 37 37 VAL H H 37 7.400 7.400 7.570 -0.170 19218 1425 1 9 . 1 1 38 38 TYR N N 38 119.439 119.439 121.226 -1.787 19218 1426 1 9 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.083 0.118 19218 1427 1 9 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.363 -2.167 19218 1428 1 9 . 1 1 38 38 TYR CB C 38 37.129 37.129 37.989 -0.860 19218 1429 1 9 . 1 1 38 38 TYR H H 38 7.782 7.782 7.687 0.095 19218 1430 1 9 . 1 1 39 39 ALA N N 39 123.137 123.137 119.747 3.390 19218 1431 1 9 . 1 1 39 39 ALA HA H 39 2.836 2.836 4.008 -1.172 19218 1432 1 9 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.396 -0.106 19218 1433 1 9 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.221 -1.146 19218 1434 1 9 . 1 1 39 39 ALA H H 39 7.118 7.118 8.228 -1.110 19218 1435 1 9 . 1 1 40 40 ASN N N 40 113.073 113.073 116.237 -3.164 19218 1436 1 9 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.846 -0.412 19218 1437 1 9 . 1 1 40 40 ASN CA C 40 55.253 55.253 56.361 -1.108 19218 1438 1 9 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.386 -1.647 19218 1439 1 9 . 1 1 40 40 ASN H H 40 7.954 7.954 7.628 0.326 19218 1440 1 9 . 1 1 41 41 SER N N 41 118.672 118.672 117.290 1.382 19218 1441 1 9 . 1 1 41 41 SER HA H 41 4.166 4.166 4.172 -0.006 19218 1442 1 9 . 1 1 41 41 SER CA C 41 61.119 61.119 62.130 -1.012 19218 1443 1 9 . 1 1 41 41 SER CB C 41 62.321 62.321 62.856 -0.535 19218 1444 1 9 . 1 1 41 41 SER H H 41 8.097 8.097 8.149 -0.052 19218 1445 1 9 . 1 1 42 42 ILE N N 42 126.562 126.562 120.253 6.309 19218 1446 1 9 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.844 -0.382 19218 1447 1 9 . 1 1 42 42 ILE CA C 42 62.316 62.316 62.796 -0.480 19218 1448 1 9 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.772 -3.109 19218 1449 1 9 . 1 1 42 42 ILE H H 42 6.995 6.995 7.455 -0.460 19218 1450 1 10 . 1 1 10 10 SER N N 10 116.136 116.136 118.275 -2.139 19218 1451 1 10 . 1 1 10 10 SER HA H 10 4.238 4.238 4.215 0.023 19218 1452 1 10 . 1 1 10 10 SER CA C 10 59.536 59.536 61.098 -1.562 19218 1453 1 10 . 1 1 10 10 SER CB C 10 62.858 62.858 62.639 0.219 19218 1454 1 10 . 1 1 10 10 SER H H 10 8.600 8.600 8.539 0.061 19218 1455 1 10 . 1 1 11 11 ALA N N 11 125.978 125.978 123.734 2.244 19218 1456 1 10 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.105 0.019 19218 1457 1 10 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.517 -0.223 19218 1458 1 10 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.400 0.053 19218 1459 1 10 . 1 1 11 11 ALA H H 11 8.301 8.301 8.409 -0.108 19218 1460 1 10 . 1 1 12 12 PHE N N 12 116.204 116.204 115.148 1.056 19218 1461 1 10 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.630 -0.987 19218 1462 1 10 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.640 0.051 19218 1463 1 10 . 1 1 12 12 PHE CB C 12 38.510 38.510 41.034 -2.524 19218 1464 1 10 . 1 1 12 12 PHE H H 12 7.521 7.521 7.824 -0.303 19218 1465 1 10 . 1 1 13 13 VAL N N 13 119.293 119.293 120.651 -1.358 19218 1466 1 10 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.461 -0.100 19218 1467 1 10 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.545 -0.438 19218 1468 1 10 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.530 -0.062 19218 1469 1 10 . 1 1 13 13 VAL H H 13 7.693 7.693 8.721 -1.028 19218 1470 1 10 . 1 1 14 14 THR N N 14 114.423 114.423 116.663 -2.240 19218 1471 1 10 . 1 1 14 14 THR HA H 14 3.949 3.949 3.837 0.112 19218 1472 1 10 . 1 1 14 14 THR CA C 14 66.076 66.076 67.060 -0.984 19218 1473 1 10 . 1 1 14 14 THR CB C 14 68.449 68.449 68.452 -0.003 19218 1474 1 10 . 1 1 14 14 THR H H 14 7.902 7.902 8.190 -0.288 19218 1475 1 10 . 1 1 15 15 LYS N N 15 120.738 120.738 119.769 0.969 19218 1476 1 10 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.865 0.301 19218 1477 1 10 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.345 -0.761 19218 1478 1 10 . 1 1 15 15 LYS CB C 15 32.325 32.325 32.038 0.287 19218 1479 1 10 . 1 1 15 15 LYS H H 15 7.738 7.738 7.777 -0.039 19218 1480 1 10 . 1 1 16 16 ALA N N 16 123.499 123.499 121.967 1.532 19218 1481 1 10 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.841 0.026 19218 1482 1 10 . 1 1 16 16 ALA CA C 16 55.804 55.804 54.854 0.950 19218 1483 1 10 . 1 1 16 16 ALA CB C 16 17.349 17.349 17.722 -0.373 19218 1484 1 10 . 1 1 16 16 ALA H H 16 8.597 8.597 7.261 1.336 19218 1485 1 10 . 1 1 17 17 GLU N N 17 115.381 115.381 117.850 -2.469 19218 1486 1 10 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.891 -0.235 19218 1487 1 10 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.311 0.039 19218 1488 1 10 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.343 -0.131 19218 1489 1 10 . 1 1 17 17 GLU H H 17 8.033 8.033 7.745 0.288 19218 1490 1 10 . 1 1 18 18 GLU N N 18 118.231 118.231 118.881 -0.650 19218 1491 1 10 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.038 -0.181 19218 1492 1 10 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.628 0.477 19218 1493 1 10 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.351 -0.115 19218 1494 1 10 . 1 1 18 18 GLU H H 18 7.884 7.884 8.033 -0.149 19218 1495 1 10 . 1 1 19 19 MET N N 19 119.064 119.064 118.358 0.706 19218 1496 1 10 . 1 1 19 19 MET HA H 19 3.893 3.893 4.048 -0.155 19218 1497 1 10 . 1 1 19 19 MET CA C 19 60.090 60.090 58.467 1.623 19218 1498 1 10 . 1 1 19 19 MET CB C 19 33.764 33.764 32.517 1.247 19218 1499 1 10 . 1 1 19 19 MET H H 19 8.384 8.384 7.504 0.880 19218 1500 1 10 . 1 1 20 20 ILE N N 20 111.356 111.356 114.948 -3.592 19218 1501 1 10 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.071 -0.249 19218 1502 1 10 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.195 0.455 19218 1503 1 10 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.172 -0.614 19218 1504 1 10 . 1 1 20 20 ILE H H 20 7.472 7.472 7.571 -0.099 19218 1505 1 10 . 1 1 21 21 LYS N N 21 119.838 119.838 121.102 -1.264 19218 1506 1 10 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.963 0.088 19218 1507 1 10 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.475 -1.789 19218 1508 1 10 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.109 0.186 19218 1509 1 10 . 1 1 21 21 LYS H H 21 7.356 7.356 7.529 -0.173 19218 1510 1 10 . 1 1 22 22 SER N N 22 111.769 111.769 111.395 0.374 19218 1511 1 10 . 1 1 22 22 SER HA H 22 4.142 4.142 4.423 -0.281 19218 1512 1 10 . 1 1 22 22 SER CA C 22 59.093 59.093 59.678 -0.585 19218 1513 1 10 . 1 1 22 22 SER CB C 22 63.622 63.622 63.968 -0.346 19218 1514 1 10 . 1 1 22 22 SER H H 22 7.420 7.420 7.544 -0.124 19218 1515 1 10 . 1 1 23 23 HIS N N 23 117.400 117.400 119.375 -1.975 19218 1516 1 10 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.982 0.100 19218 1517 1 10 . 1 1 23 23 HIS CA C 23 51.899 51.899 52.911 -1.012 19218 1518 1 10 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.362 -0.882 19218 1519 1 10 . 1 1 23 23 HIS H H 23 6.849 6.849 7.638 -0.789 19218 1520 1 10 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.471 -0.400 19218 1521 1 10 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.180 0.617 19218 1522 1 10 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.221 -0.518 19218 1523 1 10 . 1 1 25 25 TYR N N 25 113.093 113.093 119.467 -6.374 19218 1524 1 10 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.764 0.234 19218 1525 1 10 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.393 -1.404 19218 1526 1 10 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.934 1.591 19218 1527 1 10 . 1 1 25 25 TYR H H 25 7.830 7.830 8.213 -0.383 19218 1528 1 10 . 1 1 26 26 PHE N N 26 127.175 127.175 121.793 5.382 19218 1529 1 10 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.807 -0.492 19218 1530 1 10 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.079 1.606 19218 1531 1 10 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.209 -0.214 19218 1532 1 10 . 1 1 26 26 PHE H H 26 9.123 9.123 8.056 1.067 19218 1533 1 10 . 1 1 27 27 GLN N N 27 128.714 128.714 125.230 3.484 19218 1534 1 10 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.851 0.489 19218 1535 1 10 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.530 -1.161 19218 1536 1 10 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.679 2.192 19218 1537 1 10 . 1 1 27 27 GLN H H 27 8.452 8.452 8.147 0.305 19218 1538 1 10 . 1 1 28 28 LEU N N 28 130.057 130.057 128.814 1.243 19218 1539 1 10 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.516 -1.088 19218 1540 1 10 . 1 1 28 28 LEU CA C 28 54.917 54.917 53.865 1.052 19218 1541 1 10 . 1 1 28 28 LEU CB C 28 42.777 42.777 44.566 -1.789 19218 1542 1 10 . 1 1 28 28 LEU H H 28 8.725 8.725 8.070 0.655 19218 1543 1 10 . 1 1 29 29 SER N N 29 122.598 122.598 117.490 5.108 19218 1544 1 10 . 1 1 29 29 SER HA H 29 4.807 4.807 4.823 -0.016 19218 1545 1 10 . 1 1 29 29 SER CA C 29 56.103 56.103 57.230 -1.127 19218 1546 1 10 . 1 1 29 29 SER CB C 29 68.677 68.677 66.579 2.098 19218 1547 1 10 . 1 1 29 29 SER H H 29 8.540 8.540 8.194 0.346 19218 1548 1 10 . 1 1 30 30 ALA N N 30 121.919 121.919 125.895 -3.976 19218 1549 1 10 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.663 -0.152 19218 1550 1 10 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.205 0.018 19218 1551 1 10 . 1 1 30 30 ALA CB C 30 21.448 21.448 19.985 1.463 19218 1552 1 10 . 1 1 30 30 ALA H H 30 7.215 7.215 8.075 -0.860 19218 1553 1 10 . 1 1 31 31 SER N N 31 121.144 121.144 114.276 6.868 19218 1554 1 10 . 1 1 31 31 SER HA H 31 3.721 3.721 4.649 -0.928 19218 1555 1 10 . 1 1 31 31 SER CA C 31 60.666 60.666 57.842 2.824 19218 1556 1 10 . 1 1 31 31 SER CB C 31 61.979 61.979 63.312 -1.333 19218 1557 1 10 . 1 1 31 31 SER H H 31 8.979 8.979 8.669 0.310 19218 1558 1 10 . 1 1 32 32 TRP N N 32 113.811 113.811 121.016 -7.205 19218 1559 1 10 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.767 -0.301 19218 1560 1 10 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.339 -3.229 19218 1561 1 10 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.055 -0.624 19218 1562 1 10 . 1 1 32 32 TRP H H 32 6.228 6.228 8.051 -1.823 19218 1563 1 10 . 1 1 33 33 CYS N N 33 123.310 123.310 122.272 1.038 19218 1564 1 10 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.606 0.307 19218 1565 1 10 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.723 -1.261 19218 1566 1 10 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.629 -2.765 19218 1567 1 10 . 1 1 33 33 CYS H H 33 7.346 7.346 8.380 -1.034 19218 1568 1 10 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.254 0.038 19218 1569 1 10 . 1 1 34 34 PRO CA C 34 65.541 65.541 64.946 0.595 19218 1570 1 10 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.917 0.296 19218 1571 1 10 . 1 1 35 35 ASP N N 35 117.958 117.958 119.142 -1.184 19218 1572 1 10 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.353 0.381 19218 1573 1 10 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.708 -0.026 19218 1574 1 10 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.607 0.779 19218 1575 1 10 . 1 1 35 35 ASP H H 35 7.757 7.757 8.079 -0.322 19218 1576 1 10 . 1 1 36 36 CYS N N 36 117.708 117.708 118.499 -0.791 19218 1577 1 10 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.067 -0.704 19218 1578 1 10 . 1 1 36 36 CYS CA C 36 62.714 62.714 63.737 -1.023 19218 1579 1 10 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.935 -0.885 19218 1580 1 10 . 1 1 36 36 CYS H H 36 7.621 7.621 7.473 0.148 19218 1581 1 10 . 1 1 37 37 VAL N N 37 122.173 122.173 120.447 1.726 19218 1582 1 10 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.606 -0.055 19218 1583 1 10 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.828 0.637 19218 1584 1 10 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.978 -0.875 19218 1585 1 10 . 1 1 37 37 VAL H H 37 7.400 7.400 7.453 -0.053 19218 1586 1 10 . 1 1 38 38 TYR N N 38 119.439 119.439 120.401 -0.962 19218 1587 1 10 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.017 0.184 19218 1588 1 10 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.029 -1.833 19218 1589 1 10 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.207 -1.078 19218 1590 1 10 . 1 1 38 38 TYR H H 38 7.782 7.782 8.493 -0.711 19218 1591 1 10 . 1 1 39 39 ALA N N 39 123.137 123.137 120.615 2.522 19218 1592 1 10 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.865 -1.029 19218 1593 1 10 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.087 0.203 19218 1594 1 10 . 1 1 39 39 ALA CB C 39 17.075 17.075 17.927 -0.852 19218 1595 1 10 . 1 1 39 39 ALA H H 39 7.118 7.118 8.006 -0.888 19218 1596 1 10 . 1 1 40 40 ASN N N 40 113.073 113.073 115.748 -2.675 19218 1597 1 10 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.481 -0.047 19218 1598 1 10 . 1 1 40 40 ASN CA C 40 55.253 55.253 56.088 -0.835 19218 1599 1 10 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.542 -1.803 19218 1600 1 10 . 1 1 40 40 ASN H H 40 7.954 7.954 7.846 0.108 19218 1601 1 10 . 1 1 41 41 SER N N 41 118.672 118.672 117.023 1.649 19218 1602 1 10 . 1 1 41 41 SER HA H 41 4.166 4.166 4.162 0.004 19218 1603 1 10 . 1 1 41 41 SER CA C 41 61.119 61.119 62.179 -1.060 19218 1604 1 10 . 1 1 41 41 SER CB C 41 62.321 62.321 62.946 -0.625 19218 1605 1 10 . 1 1 41 41 SER H H 41 8.097 8.097 8.039 0.058 19218 1606 1 10 . 1 1 42 42 ILE N N 42 126.562 126.562 120.806 5.756 19218 1607 1 10 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.845 -0.383 19218 1608 1 10 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.800 -1.484 19218 1609 1 10 . 1 1 42 42 ILE CB C 42 33.663 33.663 37.114 -3.451 19218 1610 1 10 . 1 1 42 42 ILE H H 42 6.995 6.995 7.694 -0.699 19218 1611 1 11 . 1 1 10 10 SER N N 10 116.136 116.136 116.803 -0.667 19218 1612 1 11 . 1 1 10 10 SER HA H 10 4.238 4.238 4.675 -0.437 19218 1613 1 11 . 1 1 10 10 SER CA C 10 59.536 59.536 58.523 1.013 19218 1614 1 11 . 1 1 10 10 SER CB C 10 62.858 62.858 63.300 -0.442 19218 1615 1 11 . 1 1 10 10 SER H H 10 8.600 8.600 8.388 0.212 19218 1616 1 11 . 1 1 11 11 ALA N N 11 125.978 125.978 124.984 0.994 19218 1617 1 11 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.310 -0.186 19218 1618 1 11 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.688 -0.394 19218 1619 1 11 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.861 -0.408 19218 1620 1 11 . 1 1 11 11 ALA H H 11 8.301 8.301 8.062 0.239 19218 1621 1 11 . 1 1 12 12 PHE N N 12 116.204 116.204 115.022 1.182 19218 1622 1 11 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.562 -0.919 19218 1623 1 11 . 1 1 12 12 PHE CA C 12 60.691 60.691 58.659 2.032 19218 1624 1 11 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.237 -1.728 19218 1625 1 11 . 1 1 12 12 PHE H H 12 7.521 7.521 8.170 -0.649 19218 1626 1 11 . 1 1 13 13 VAL N N 13 119.293 119.293 120.564 -1.271 19218 1627 1 11 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.596 -0.235 19218 1628 1 11 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.549 -0.442 19218 1629 1 11 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.320 0.148 19218 1630 1 11 . 1 1 13 13 VAL H H 13 7.693 7.693 8.276 -0.583 19218 1631 1 11 . 1 1 14 14 THR N N 14 114.423 114.423 114.630 -0.207 19218 1632 1 11 . 1 1 14 14 THR HA H 14 3.949 3.949 3.966 -0.017 19218 1633 1 11 . 1 1 14 14 THR CA C 14 66.076 66.076 66.551 -0.475 19218 1634 1 11 . 1 1 14 14 THR CB C 14 68.449 68.449 68.382 0.067 19218 1635 1 11 . 1 1 14 14 THR H H 14 7.902 7.902 7.644 0.258 19218 1636 1 11 . 1 1 15 15 LYS N N 15 120.738 120.738 121.081 -0.343 19218 1637 1 11 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.970 0.196 19218 1638 1 11 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.310 -0.726 19218 1639 1 11 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.969 0.356 19218 1640 1 11 . 1 1 15 15 LYS H H 15 7.738 7.738 7.980 -0.242 19218 1641 1 11 . 1 1 16 16 ALA N N 16 123.499 123.499 122.687 0.812 19218 1642 1 11 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.844 0.023 19218 1643 1 11 . 1 1 16 16 ALA CA C 16 55.804 55.804 54.838 0.966 19218 1644 1 11 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.054 -0.705 19218 1645 1 11 . 1 1 16 16 ALA H H 16 8.597 8.597 8.062 0.535 19218 1646 1 11 . 1 1 17 17 GLU N N 17 115.381 115.381 118.178 -2.797 19218 1647 1 11 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.832 -0.176 19218 1648 1 11 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.552 -0.202 19218 1649 1 11 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.330 -0.118 19218 1650 1 11 . 1 1 17 17 GLU H H 17 8.033 8.033 7.786 0.247 19218 1651 1 11 . 1 1 18 18 GLU N N 18 118.231 118.231 118.943 -0.712 19218 1652 1 11 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.032 -0.175 19218 1653 1 11 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.608 0.497 19218 1654 1 11 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.192 0.044 19218 1655 1 11 . 1 1 18 18 GLU H H 18 7.884 7.884 7.658 0.226 19218 1656 1 11 . 1 1 19 19 MET N N 19 119.064 119.064 117.917 1.147 19218 1657 1 11 . 1 1 19 19 MET HA H 19 3.893 3.893 3.959 -0.066 19218 1658 1 11 . 1 1 19 19 MET CA C 19 60.090 60.090 59.788 0.302 19218 1659 1 11 . 1 1 19 19 MET CB C 19 33.764 33.764 32.585 1.179 19218 1660 1 11 . 1 1 19 19 MET H H 19 8.384 8.384 7.601 0.783 19218 1661 1 11 . 1 1 20 20 ILE N N 20 111.356 111.356 114.306 -2.950 19218 1662 1 11 . 1 1 20 20 ILE HA H 20 3.822 3.822 3.980 -0.158 19218 1663 1 11 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.114 0.536 19218 1664 1 11 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.347 -0.789 19218 1665 1 11 . 1 1 20 20 ILE H H 20 7.472 7.472 7.734 -0.262 19218 1666 1 11 . 1 1 21 21 LYS N N 21 119.838 119.838 120.388 -0.550 19218 1667 1 11 . 1 1 21 21 LYS HA H 21 4.051 4.051 4.012 0.039 19218 1668 1 11 . 1 1 21 21 LYS CA C 21 57.686 57.686 58.706 -1.020 19218 1669 1 11 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.051 0.244 19218 1670 1 11 . 1 1 21 21 LYS H H 21 7.356 7.356 7.760 -0.404 19218 1671 1 11 . 1 1 22 22 SER N N 22 111.769 111.769 112.003 -0.234 19218 1672 1 11 . 1 1 22 22 SER HA H 22 4.142 4.142 4.429 -0.287 19218 1673 1 11 . 1 1 22 22 SER CA C 22 59.093 59.093 59.755 -0.662 19218 1674 1 11 . 1 1 22 22 SER CB C 22 63.622 63.622 64.202 -0.580 19218 1675 1 11 . 1 1 22 22 SER H H 22 7.420 7.420 7.465 -0.044 19218 1676 1 11 . 1 1 23 23 HIS N N 23 117.400 117.400 119.046 -1.646 19218 1677 1 11 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.014 0.068 19218 1678 1 11 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.000 -1.101 19218 1679 1 11 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.439 -0.959 19218 1680 1 11 . 1 1 23 23 HIS H H 23 6.849 6.849 7.776 -0.927 19218 1681 1 11 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.311 -0.240 19218 1682 1 11 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.111 0.686 19218 1683 1 11 . 1 1 24 24 PRO CB C 24 31.703 31.703 31.841 -0.139 19218 1684 1 11 . 1 1 25 25 TYR N N 25 113.093 113.093 119.460 -6.367 19218 1685 1 11 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.770 0.228 19218 1686 1 11 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.690 -0.701 19218 1687 1 11 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.559 1.966 19218 1688 1 11 . 1 1 25 25 TYR H H 25 7.830 7.830 8.050 -0.220 19218 1689 1 11 . 1 1 26 26 PHE N N 26 127.175 127.175 121.766 5.409 19218 1690 1 11 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.717 -0.402 19218 1691 1 11 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.800 0.885 19218 1692 1 11 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.150 -0.155 19218 1693 1 11 . 1 1 26 26 PHE H H 26 9.123 9.123 8.327 0.796 19218 1694 1 11 . 1 1 27 27 GLN N N 27 128.714 128.714 125.005 3.709 19218 1695 1 11 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.995 0.345 19218 1696 1 11 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.655 -1.286 19218 1697 1 11 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.245 2.627 19218 1698 1 11 . 1 1 27 27 GLN H H 27 8.452 8.452 8.521 -0.069 19218 1699 1 11 . 1 1 28 28 LEU N N 28 130.057 130.057 130.073 -0.016 19218 1700 1 11 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.908 -0.480 19218 1701 1 11 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.867 0.050 19218 1702 1 11 . 1 1 28 28 LEU CB C 28 42.777 42.777 43.087 -0.310 19218 1703 1 11 . 1 1 28 28 LEU H H 28 8.725 8.725 8.231 0.494 19218 1704 1 11 . 1 1 29 29 SER N N 29 122.598 122.598 120.677 1.921 19218 1705 1 11 . 1 1 29 29 SER HA H 29 4.807 4.807 4.756 0.051 19218 1706 1 11 . 1 1 29 29 SER CA C 29 56.103 56.103 56.471 -0.368 19218 1707 1 11 . 1 1 29 29 SER CB C 29 68.677 68.677 65.217 3.460 19218 1708 1 11 . 1 1 29 29 SER H H 29 8.540 8.540 8.294 0.246 19218 1709 1 11 . 1 1 30 30 ALA N N 30 121.919 121.919 122.995 -1.076 19218 1710 1 11 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.835 -0.324 19218 1711 1 11 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.708 0.515 19218 1712 1 11 . 1 1 30 30 ALA CB C 30 21.448 21.448 20.456 0.993 19218 1713 1 11 . 1 1 30 30 ALA H H 30 7.215 7.215 8.515 -1.300 19218 1714 1 11 . 1 1 31 31 SER N N 31 121.144 121.144 122.373 -1.229 19218 1715 1 11 . 1 1 31 31 SER HA H 31 3.721 3.721 4.071 -0.350 19218 1716 1 11 . 1 1 31 31 SER CA C 31 60.666 60.666 61.072 -0.406 19218 1717 1 11 . 1 1 31 31 SER CB C 31 61.979 61.979 62.692 -0.713 19218 1718 1 11 . 1 1 31 31 SER H H 31 8.979 8.979 8.916 0.063 19218 1719 1 11 . 1 1 32 32 TRP N N 32 113.811 113.811 121.447 -7.636 19218 1720 1 11 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.598 -0.132 19218 1721 1 11 . 1 1 32 32 TRP CA C 32 54.110 54.110 58.111 -4.001 19218 1722 1 11 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.593 -0.162 19218 1723 1 11 . 1 1 32 32 TRP H H 32 6.228 6.228 7.833 -1.605 19218 1724 1 11 . 1 1 33 33 CYS N N 33 123.310 123.310 118.400 4.910 19218 1725 1 11 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.600 0.313 19218 1726 1 11 . 1 1 33 33 CYS CA C 33 55.462 55.462 57.875 -2.413 19218 1727 1 11 . 1 1 33 33 CYS CB C 33 26.864 26.864 28.137 -1.272 19218 1728 1 11 . 1 1 33 33 CYS H H 33 7.346 7.346 7.460 -0.114 19218 1729 1 11 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.193 0.099 19218 1730 1 11 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.337 0.204 19218 1731 1 11 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.746 0.467 19218 1732 1 11 . 1 1 35 35 ASP N N 35 117.958 117.958 117.651 0.307 19218 1733 1 11 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.350 0.384 19218 1734 1 11 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.557 0.125 19218 1735 1 11 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.034 1.352 19218 1736 1 11 . 1 1 35 35 ASP H H 35 7.757 7.757 8.725 -0.968 19218 1737 1 11 . 1 1 36 36 CYS N N 36 117.708 117.708 119.120 -1.412 19218 1738 1 11 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.119 -0.755 19218 1739 1 11 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.344 0.370 19218 1740 1 11 . 1 1 36 36 CYS CB C 36 27.050 27.050 26.592 0.458 19218 1741 1 11 . 1 1 36 36 CYS H H 36 7.621 7.621 7.808 -0.187 19218 1742 1 11 . 1 1 37 37 VAL N N 37 122.173 122.173 119.439 2.734 19218 1743 1 11 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.613 -0.062 19218 1744 1 11 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.249 0.216 19218 1745 1 11 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.760 -0.657 19218 1746 1 11 . 1 1 37 37 VAL H H 37 7.400 7.400 7.181 0.219 19218 1747 1 11 . 1 1 38 38 TYR N N 38 119.439 119.439 120.884 -1.445 19218 1748 1 11 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.034 0.167 19218 1749 1 11 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.112 -1.916 19218 1750 1 11 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.498 -1.369 19218 1751 1 11 . 1 1 38 38 TYR H H 38 7.782 7.782 8.017 -0.235 19218 1752 1 11 . 1 1 39 39 ALA N N 39 123.137 123.137 120.681 2.456 19218 1753 1 11 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.812 -0.976 19218 1754 1 11 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.036 0.254 19218 1755 1 11 . 1 1 39 39 ALA CB C 39 17.075 17.075 17.889 -0.814 19218 1756 1 11 . 1 1 39 39 ALA H H 39 7.118 7.118 8.347 -1.229 19218 1757 1 11 . 1 1 40 40 ASN N N 40 113.073 113.073 115.842 -2.769 19218 1758 1 11 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.434 0.000 19218 1759 1 11 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.895 -0.642 19218 1760 1 11 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.702 -1.963 19218 1761 1 11 . 1 1 40 40 ASN H H 40 7.954 7.954 8.255 -0.301 19218 1762 1 11 . 1 1 41 41 SER N N 41 118.672 118.672 117.446 1.226 19218 1763 1 11 . 1 1 41 41 SER HA H 41 4.166 4.166 4.184 -0.018 19218 1764 1 11 . 1 1 41 41 SER CA C 41 61.119 61.119 62.162 -1.043 19218 1765 1 11 . 1 1 41 41 SER CB C 41 62.321 62.321 62.968 -0.647 19218 1766 1 11 . 1 1 41 41 SER H H 41 8.097 8.097 8.005 0.092 19218 1767 1 11 . 1 1 42 42 ILE N N 42 126.562 126.562 120.540 6.022 19218 1768 1 11 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.836 -0.374 19218 1769 1 11 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.674 -1.358 19218 1770 1 11 . 1 1 42 42 ILE CB C 42 33.663 33.663 37.081 -3.418 19218 1771 1 11 . 1 1 42 42 ILE H H 42 6.995 6.995 7.695 -0.700 19218 1772 1 12 . 1 1 10 10 SER N N 10 116.136 116.136 114.178 1.958 19218 1773 1 12 . 1 1 10 10 SER HA H 10 4.238 4.238 4.135 0.103 19218 1774 1 12 . 1 1 10 10 SER CA C 10 59.536 59.536 58.726 0.810 19218 1775 1 12 . 1 1 10 10 SER CB C 10 62.858 62.858 62.670 0.188 19218 1776 1 12 . 1 1 10 10 SER H H 10 8.600 8.600 8.477 0.123 19218 1777 1 12 . 1 1 11 11 ALA N N 11 125.978 125.978 121.671 4.307 19218 1778 1 12 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.247 -0.123 19218 1779 1 12 . 1 1 11 11 ALA CA C 11 54.294 54.294 53.537 0.757 19218 1780 1 12 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.995 -0.542 19218 1781 1 12 . 1 1 11 11 ALA H H 11 8.301 8.301 7.969 0.332 19218 1782 1 12 . 1 1 12 12 PHE N N 12 116.204 116.204 118.452 -2.248 19218 1783 1 12 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.664 -1.021 19218 1784 1 12 . 1 1 12 12 PHE CA C 12 60.691 60.691 58.748 1.943 19218 1785 1 12 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.519 -1.009 19218 1786 1 12 . 1 1 12 12 PHE H H 12 7.521 7.521 7.899 -0.378 19218 1787 1 12 . 1 1 13 13 VAL N N 13 119.293 119.293 119.796 -0.503 19218 1788 1 12 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.573 -0.212 19218 1789 1 12 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.648 0.459 19218 1790 1 12 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.562 -0.094 19218 1791 1 12 . 1 1 13 13 VAL H H 13 7.693 7.693 8.109 -0.416 19218 1792 1 12 . 1 1 14 14 THR N N 14 114.423 114.423 114.325 0.098 19218 1793 1 12 . 1 1 14 14 THR HA H 14 3.949 3.949 4.211 -0.262 19218 1794 1 12 . 1 1 14 14 THR CA C 14 66.076 66.076 65.696 0.380 19218 1795 1 12 . 1 1 14 14 THR CB C 14 68.449 68.449 68.839 -0.390 19218 1796 1 12 . 1 1 14 14 THR H H 14 7.902 7.902 7.642 0.260 19218 1797 1 12 . 1 1 15 15 LYS N N 15 120.738 120.738 120.482 0.256 19218 1798 1 12 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.053 0.113 19218 1799 1 12 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.784 -0.200 19218 1800 1 12 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.736 0.589 19218 1801 1 12 . 1 1 15 15 LYS H H 15 7.738 7.738 7.996 -0.258 19218 1802 1 12 . 1 1 16 16 ALA N N 16 123.499 123.499 120.641 2.858 19218 1803 1 12 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.073 -0.206 19218 1804 1 12 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.022 0.782 19218 1805 1 12 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.172 -0.823 19218 1806 1 12 . 1 1 16 16 ALA H H 16 8.597 8.597 7.985 0.612 19218 1807 1 12 . 1 1 17 17 GLU N N 17 115.381 115.381 118.005 -2.624 19218 1808 1 12 . 1 1 17 17 GLU HA H 17 3.656 3.656 4.011 -0.355 19218 1809 1 12 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.107 0.243 19218 1810 1 12 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.495 -0.283 19218 1811 1 12 . 1 1 17 17 GLU H H 17 8.033 8.033 7.671 0.362 19218 1812 1 12 . 1 1 18 18 GLU N N 18 118.231 118.231 119.061 -0.830 19218 1813 1 12 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.099 -0.242 19218 1814 1 12 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.569 0.536 19218 1815 1 12 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.132 0.104 19218 1816 1 12 . 1 1 18 18 GLU H H 18 7.884 7.884 7.583 0.301 19218 1817 1 12 . 1 1 19 19 MET N N 19 119.064 119.064 116.360 2.704 19218 1818 1 12 . 1 1 19 19 MET HA H 19 3.893 3.893 4.127 -0.234 19218 1819 1 12 . 1 1 19 19 MET CA C 19 60.090 60.090 58.832 1.258 19218 1820 1 12 . 1 1 19 19 MET CB C 19 33.764 33.764 32.269 1.495 19218 1821 1 12 . 1 1 19 19 MET H H 19 8.384 8.384 7.501 0.883 19218 1822 1 12 . 1 1 20 20 ILE N N 20 111.356 111.356 114.755 -3.399 19218 1823 1 12 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.057 -0.235 19218 1824 1 12 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.230 0.420 19218 1825 1 12 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.411 -0.853 19218 1826 1 12 . 1 1 20 20 ILE H H 20 7.472 7.472 7.380 0.092 19218 1827 1 12 . 1 1 21 21 LYS N N 21 119.838 119.838 121.127 -1.289 19218 1828 1 12 . 1 1 21 21 LYS HA H 21 4.051 4.051 4.014 0.037 19218 1829 1 12 . 1 1 21 21 LYS CA C 21 57.686 57.686 58.944 -1.258 19218 1830 1 12 . 1 1 21 21 LYS CB C 21 32.295 32.295 31.997 0.298 19218 1831 1 12 . 1 1 21 21 LYS H H 21 7.356 7.356 7.641 -0.285 19218 1832 1 12 . 1 1 22 22 SER N N 22 111.769 111.769 111.538 0.231 19218 1833 1 12 . 1 1 22 22 SER HA H 22 4.142 4.142 4.398 -0.256 19218 1834 1 12 . 1 1 22 22 SER CA C 22 59.093 59.093 59.775 -0.682 19218 1835 1 12 . 1 1 22 22 SER CB C 22 63.622 63.622 64.426 -0.804 19218 1836 1 12 . 1 1 22 22 SER H H 22 7.420 7.420 7.650 -0.230 19218 1837 1 12 . 1 1 23 23 HIS N N 23 117.400 117.400 118.510 -1.110 19218 1838 1 12 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.886 0.196 19218 1839 1 12 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.625 -1.726 19218 1840 1 12 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.759 -0.279 19218 1841 1 12 . 1 1 23 23 HIS H H 23 6.849 6.849 7.835 -0.986 19218 1842 1 12 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.373 -0.302 19218 1843 1 12 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.096 0.701 19218 1844 1 12 . 1 1 24 24 PRO CB C 24 31.703 31.703 31.962 -0.259 19218 1845 1 12 . 1 1 25 25 TYR N N 25 113.093 113.093 119.095 -6.002 19218 1846 1 12 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.789 0.209 19218 1847 1 12 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.333 -0.344 19218 1848 1 12 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.418 2.107 19218 1849 1 12 . 1 1 25 25 TYR H H 25 7.830 7.830 8.023 -0.193 19218 1850 1 12 . 1 1 26 26 PHE N N 26 127.175 127.175 121.396 5.779 19218 1851 1 12 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.705 -0.390 19218 1852 1 12 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.842 0.843 19218 1853 1 12 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.088 -0.093 19218 1854 1 12 . 1 1 26 26 PHE H H 26 9.123 9.123 8.198 0.925 19218 1855 1 12 . 1 1 27 27 GLN N N 27 128.714 128.714 122.832 5.882 19218 1856 1 12 . 1 1 27 27 GLN HA H 27 5.340 5.340 5.101 0.239 19218 1857 1 12 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.707 -1.338 19218 1858 1 12 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.405 2.466 19218 1859 1 12 . 1 1 27 27 GLN H H 27 8.452 8.452 8.465 -0.013 19218 1860 1 12 . 1 1 28 28 LEU N N 28 130.057 130.057 128.793 1.264 19218 1861 1 12 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.134 -0.706 19218 1862 1 12 . 1 1 28 28 LEU CA C 28 54.917 54.917 53.942 0.975 19218 1863 1 12 . 1 1 28 28 LEU CB C 28 42.777 42.777 43.637 -0.860 19218 1864 1 12 . 1 1 28 28 LEU H H 28 8.725 8.725 8.521 0.204 19218 1865 1 12 . 1 1 29 29 SER N N 29 122.598 122.598 120.660 1.938 19218 1866 1 12 . 1 1 29 29 SER HA H 29 4.807 4.807 4.743 0.064 19218 1867 1 12 . 1 1 29 29 SER CA C 29 56.103 56.103 56.879 -0.776 19218 1868 1 12 . 1 1 29 29 SER CB C 29 68.677 68.677 65.531 3.146 19218 1869 1 12 . 1 1 29 29 SER H H 29 8.540 8.540 8.093 0.447 19218 1870 1 12 . 1 1 30 30 ALA N N 30 121.919 121.919 122.198 -0.279 19218 1871 1 12 . 1 1 30 30 ALA HA H 30 4.511 4.511 5.045 -0.534 19218 1872 1 12 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.583 -0.360 19218 1873 1 12 . 1 1 30 30 ALA CB C 30 21.448 21.448 22.221 -0.773 19218 1874 1 12 . 1 1 30 30 ALA H H 30 7.215 7.215 8.113 -0.898 19218 1875 1 12 . 1 1 31 31 SER N N 31 121.144 121.144 118.595 2.549 19218 1876 1 12 . 1 1 31 31 SER HA H 31 3.721 3.721 4.478 -0.757 19218 1877 1 12 . 1 1 31 31 SER CA C 31 60.666 60.666 59.013 1.653 19218 1878 1 12 . 1 1 31 31 SER CB C 31 61.979 61.979 62.106 -0.127 19218 1879 1 12 . 1 1 31 31 SER H H 31 8.979 8.979 9.009 -0.030 19218 1880 1 12 . 1 1 32 32 TRP N N 32 113.811 113.811 127.160 -13.349 19218 1881 1 12 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.787 -0.321 19218 1882 1 12 . 1 1 32 32 TRP CA C 32 54.110 54.110 58.020 -3.910 19218 1883 1 12 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.660 -1.229 19218 1884 1 12 . 1 1 32 32 TRP H H 32 6.228 6.228 8.736 -2.508 19218 1885 1 12 . 1 1 33 33 CYS N N 33 123.310 123.310 121.372 1.938 19218 1886 1 12 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.885 0.028 19218 1887 1 12 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.540 -1.078 19218 1888 1 12 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.467 -2.603 19218 1889 1 12 . 1 1 33 33 CYS H H 33 7.346 7.346 8.160 -0.814 19218 1890 1 12 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.209 0.083 19218 1891 1 12 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.454 0.087 19218 1892 1 12 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.904 0.309 19218 1893 1 12 . 1 1 35 35 ASP N N 35 117.958 117.958 117.725 0.233 19218 1894 1 12 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.536 0.198 19218 1895 1 12 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.590 0.092 19218 1896 1 12 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.646 0.740 19218 1897 1 12 . 1 1 35 35 ASP H H 35 7.757 7.757 8.764 -1.007 19218 1898 1 12 . 1 1 36 36 CYS N N 36 117.708 117.708 119.081 -1.373 19218 1899 1 12 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.194 -0.830 19218 1900 1 12 . 1 1 36 36 CYS CA C 36 62.714 62.714 63.620 -0.906 19218 1901 1 12 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.799 -0.749 19218 1902 1 12 . 1 1 36 36 CYS H H 36 7.621 7.621 7.812 -0.191 19218 1903 1 12 . 1 1 37 37 VAL N N 37 122.173 122.173 119.471 2.702 19218 1904 1 12 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.714 -0.163 19218 1905 1 12 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.402 1.063 19218 1906 1 12 . 1 1 37 37 VAL CB C 37 31.103 31.103 30.762 0.341 19218 1907 1 12 . 1 1 37 37 VAL H H 37 7.400 7.400 7.571 -0.171 19218 1908 1 12 . 1 1 38 38 TYR N N 38 119.439 119.439 121.666 -2.227 19218 1909 1 12 . 1 1 38 38 TYR HA H 38 4.201 4.201 3.926 0.275 19218 1910 1 12 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.173 -1.977 19218 1911 1 12 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.081 -0.952 19218 1912 1 12 . 1 1 38 38 TYR H H 38 7.782 7.782 7.655 0.127 19218 1913 1 12 . 1 1 39 39 ALA N N 39 123.137 123.137 120.585 2.552 19218 1914 1 12 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.651 -0.815 19218 1915 1 12 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.166 0.124 19218 1916 1 12 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.104 -1.029 19218 1917 1 12 . 1 1 39 39 ALA H H 39 7.118 7.118 8.508 -1.390 19218 1918 1 12 . 1 1 40 40 ASN N N 40 113.073 113.073 115.748 -2.675 19218 1919 1 12 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.591 -0.157 19218 1920 1 12 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.487 -0.234 19218 1921 1 12 . 1 1 40 40 ASN CB C 40 36.739 36.739 37.995 -1.256 19218 1922 1 12 . 1 1 40 40 ASN H H 40 7.954 7.954 7.944 0.010 19218 1923 1 12 . 1 1 41 41 SER N N 41 118.672 118.672 117.104 1.568 19218 1924 1 12 . 1 1 41 41 SER HA H 41 4.166 4.166 4.131 0.035 19218 1925 1 12 . 1 1 41 41 SER CA C 41 61.119 61.119 61.663 -0.544 19218 1926 1 12 . 1 1 41 41 SER CB C 41 62.321 62.321 62.826 -0.505 19218 1927 1 12 . 1 1 41 41 SER H H 41 8.097 8.097 7.906 0.191 19218 1928 1 12 . 1 1 42 42 ILE N N 42 126.562 126.562 120.863 5.699 19218 1929 1 12 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.496 -0.034 19218 1930 1 12 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.639 -1.323 19218 1931 1 12 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.263 -2.600 19218 1932 1 12 . 1 1 42 42 ILE H H 42 6.995 6.995 7.461 -0.466 19218 1933 1 13 . 1 1 10 10 SER N N 10 116.136 116.136 117.174 -1.038 19218 1934 1 13 . 1 1 10 10 SER HA H 10 4.238 4.238 4.326 -0.088 19218 1935 1 13 . 1 1 10 10 SER CA C 10 59.536 59.536 59.832 -0.296 19218 1936 1 13 . 1 1 10 10 SER CB C 10 62.858 62.858 63.230 -0.372 19218 1937 1 13 . 1 1 10 10 SER H H 10 8.600 8.600 8.502 0.098 19218 1938 1 13 . 1 1 11 11 ALA N N 11 125.978 125.978 124.477 1.501 19218 1939 1 13 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.109 0.015 19218 1940 1 13 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.600 -0.306 19218 1941 1 13 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.535 -0.082 19218 1942 1 13 . 1 1 11 11 ALA H H 11 8.301 8.301 8.267 0.034 19218 1943 1 13 . 1 1 12 12 PHE N N 12 116.204 116.204 116.072 0.132 19218 1944 1 13 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.349 -0.706 19218 1945 1 13 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.196 0.495 19218 1946 1 13 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.844 -2.334 19218 1947 1 13 . 1 1 12 12 PHE H H 12 7.521 7.521 7.547 -0.026 19218 1948 1 13 . 1 1 13 13 VAL N N 13 119.293 119.293 120.412 -1.119 19218 1949 1 13 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.515 -0.154 19218 1950 1 13 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.419 -0.312 19218 1951 1 13 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.666 -0.198 19218 1952 1 13 . 1 1 13 13 VAL H H 13 7.693 7.693 7.644 0.049 19218 1953 1 13 . 1 1 14 14 THR N N 14 114.423 114.423 116.198 -1.775 19218 1954 1 13 . 1 1 14 14 THR HA H 14 3.949 3.949 3.900 0.049 19218 1955 1 13 . 1 1 14 14 THR CA C 14 66.076 66.076 66.769 -0.693 19218 1956 1 13 . 1 1 14 14 THR CB C 14 68.449 68.449 68.577 -0.128 19218 1957 1 13 . 1 1 14 14 THR H H 14 7.902 7.902 8.018 -0.116 19218 1958 1 13 . 1 1 15 15 LYS N N 15 120.738 120.738 121.005 -0.267 19218 1959 1 13 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.953 0.213 19218 1960 1 13 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.678 -0.094 19218 1961 1 13 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.533 0.792 19218 1962 1 13 . 1 1 15 15 LYS H H 15 7.738 7.738 7.528 0.210 19218 1963 1 13 . 1 1 16 16 ALA N N 16 123.499 123.499 122.686 0.813 19218 1964 1 13 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.000 -0.133 19218 1965 1 13 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.044 0.760 19218 1966 1 13 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.100 -0.751 19218 1967 1 13 . 1 1 16 16 ALA H H 16 8.597 8.597 7.755 0.842 19218 1968 1 13 . 1 1 17 17 GLU N N 17 115.381 115.381 118.003 -2.622 19218 1969 1 13 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.908 -0.252 19218 1970 1 13 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.654 -0.304 19218 1971 1 13 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.428 -0.216 19218 1972 1 13 . 1 1 17 17 GLU H H 17 8.033 8.033 7.695 0.338 19218 1973 1 13 . 1 1 18 18 GLU N N 18 118.231 118.231 118.320 -0.089 19218 1974 1 13 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.021 -0.164 19218 1975 1 13 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.591 0.514 19218 1976 1 13 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.427 -0.191 19218 1977 1 13 . 1 1 18 18 GLU H H 18 7.884 7.884 7.467 0.417 19218 1978 1 13 . 1 1 19 19 MET N N 19 119.064 119.064 118.456 0.608 19218 1979 1 13 . 1 1 19 19 MET HA H 19 3.893 3.893 4.053 -0.160 19218 1980 1 13 . 1 1 19 19 MET CA C 19 60.090 60.090 59.462 0.628 19218 1981 1 13 . 1 1 19 19 MET CB C 19 33.764 33.764 32.907 0.857 19218 1982 1 13 . 1 1 19 19 MET H H 19 8.384 8.384 7.689 0.695 19218 1983 1 13 . 1 1 20 20 ILE N N 20 111.356 111.356 115.402 -4.046 19218 1984 1 13 . 1 1 20 20 ILE HA H 20 3.822 3.822 3.996 -0.174 19218 1985 1 13 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.496 0.154 19218 1986 1 13 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.078 -0.520 19218 1987 1 13 . 1 1 20 20 ILE H H 20 7.472 7.472 7.825 -0.353 19218 1988 1 13 . 1 1 21 21 LYS N N 21 119.838 119.838 121.088 -1.250 19218 1989 1 13 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.879 0.172 19218 1990 1 13 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.846 -2.160 19218 1991 1 13 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.216 0.079 19218 1992 1 13 . 1 1 21 21 LYS H H 21 7.356 7.356 7.398 -0.042 19218 1993 1 13 . 1 1 22 22 SER N N 22 111.769 111.769 111.154 0.615 19218 1994 1 13 . 1 1 22 22 SER HA H 22 4.142 4.142 4.296 -0.154 19218 1995 1 13 . 1 1 22 22 SER CA C 22 59.093 59.093 59.954 -0.861 19218 1996 1 13 . 1 1 22 22 SER CB C 22 63.622 63.622 63.815 -0.192 19218 1997 1 13 . 1 1 22 22 SER H H 22 7.420 7.420 7.532 -0.112 19218 1998 1 13 . 1 1 23 23 HIS N N 23 117.400 117.400 119.744 -2.344 19218 1999 1 13 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.014 0.068 19218 2000 1 13 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.012 -1.113 19218 2001 1 13 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.978 -0.498 19218 2002 1 13 . 1 1 23 23 HIS H H 23 6.849 6.849 7.375 -0.526 19218 2003 1 13 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.421 -0.350 19218 2004 1 13 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.072 0.725 19218 2005 1 13 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.141 -0.438 19218 2006 1 13 . 1 1 25 25 TYR N N 25 113.093 113.093 119.174 -6.081 19218 2007 1 13 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.807 0.191 19218 2008 1 13 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.952 -0.963 19218 2009 1 13 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.495 2.030 19218 2010 1 13 . 1 1 25 25 TYR H H 25 7.830 7.830 7.975 -0.145 19218 2011 1 13 . 1 1 26 26 PHE N N 26 127.175 127.175 121.428 5.747 19218 2012 1 13 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.866 -0.551 19218 2013 1 13 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.350 1.335 19218 2014 1 13 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.391 -0.396 19218 2015 1 13 . 1 1 26 26 PHE H H 26 9.123 9.123 8.174 0.949 19218 2016 1 13 . 1 1 27 27 GLN N N 27 128.714 128.714 126.357 2.357 19218 2017 1 13 . 1 1 27 27 GLN HA H 27 5.340 5.340 5.037 0.303 19218 2018 1 13 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.423 -1.054 19218 2019 1 13 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.205 2.666 19218 2020 1 13 . 1 1 27 27 GLN H H 27 8.452 8.452 8.091 0.361 19218 2021 1 13 . 1 1 28 28 LEU N N 28 130.057 130.057 129.698 0.359 19218 2022 1 13 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.191 -0.763 19218 2023 1 13 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.687 0.230 19218 2024 1 13 . 1 1 28 28 LEU CB C 28 42.777 42.777 44.072 -1.296 19218 2025 1 13 . 1 1 28 28 LEU H H 28 8.725 8.725 8.320 0.405 19218 2026 1 13 . 1 1 29 29 SER N N 29 122.598 122.598 118.379 4.219 19218 2027 1 13 . 1 1 29 29 SER HA H 29 4.807 4.807 4.704 0.103 19218 2028 1 13 . 1 1 29 29 SER CA C 29 56.103 56.103 56.454 -0.351 19218 2029 1 13 . 1 1 29 29 SER CB C 29 68.677 68.677 65.219 3.458 19218 2030 1 13 . 1 1 29 29 SER H H 29 8.540 8.540 8.225 0.315 19218 2031 1 13 . 1 1 30 30 ALA N N 30 121.919 121.919 122.657 -0.738 19218 2032 1 13 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.470 0.041 19218 2033 1 13 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.923 -0.700 19218 2034 1 13 . 1 1 30 30 ALA CB C 30 21.448 21.448 19.975 1.473 19218 2035 1 13 . 1 1 30 30 ALA H H 30 7.215 7.215 8.452 -1.237 19218 2036 1 13 . 1 1 31 31 SER N N 31 121.144 121.144 114.455 6.689 19218 2037 1 13 . 1 1 31 31 SER HA H 31 3.721 3.721 4.297 -0.576 19218 2038 1 13 . 1 1 31 31 SER CA C 31 60.666 60.666 59.646 1.020 19218 2039 1 13 . 1 1 31 31 SER CB C 31 61.979 61.979 63.964 -1.985 19218 2040 1 13 . 1 1 31 31 SER H H 31 8.979 8.979 8.473 0.506 19218 2041 1 13 . 1 1 32 32 TRP N N 32 113.811 113.811 121.218 -7.407 19218 2042 1 13 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.793 -0.327 19218 2043 1 13 . 1 1 32 32 TRP CA C 32 54.110 54.110 56.529 -2.419 19218 2044 1 13 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.512 -1.081 19218 2045 1 13 . 1 1 32 32 TRP H H 32 6.228 6.228 7.717 -1.489 19218 2046 1 13 . 1 1 33 33 CYS N N 33 123.310 123.310 120.526 2.784 19218 2047 1 13 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.853 0.060 19218 2048 1 13 . 1 1 33 33 CYS CA C 33 55.462 55.462 55.939 -0.477 19218 2049 1 13 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.317 -2.453 19218 2050 1 13 . 1 1 33 33 CYS H H 33 7.346 7.346 8.236 -0.890 19218 2051 1 13 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.252 0.040 19218 2052 1 13 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.676 -0.135 19218 2053 1 13 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.780 0.433 19218 2054 1 13 . 1 1 35 35 ASP N N 35 117.958 117.958 116.630 1.328 19218 2055 1 13 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.514 0.220 19218 2056 1 13 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.510 1.172 19218 2057 1 13 . 1 1 35 35 ASP CB C 35 41.386 41.386 41.023 0.363 19218 2058 1 13 . 1 1 35 35 ASP H H 35 7.757 7.757 8.071 -0.314 19218 2059 1 13 . 1 1 36 36 CYS N N 36 117.708 117.708 120.276 -2.568 19218 2060 1 13 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.288 -0.924 19218 2061 1 13 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.584 1.131 19218 2062 1 13 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.060 -0.010 19218 2063 1 13 . 1 1 36 36 CYS H H 36 7.621 7.621 7.742 -0.121 19218 2064 1 13 . 1 1 37 37 VAL N N 37 122.173 122.173 118.646 3.527 19218 2065 1 13 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.656 -0.105 19218 2066 1 13 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.745 -0.280 19218 2067 1 13 . 1 1 37 37 VAL CB C 37 31.103 31.103 30.962 0.141 19218 2068 1 13 . 1 1 37 37 VAL H H 37 7.400 7.400 8.322 -0.922 19218 2069 1 13 . 1 1 38 38 TYR N N 38 119.439 119.439 121.282 -1.843 19218 2070 1 13 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.052 0.149 19218 2071 1 13 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.862 -1.666 19218 2072 1 13 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.324 -1.195 19218 2073 1 13 . 1 1 38 38 TYR H H 38 7.782 7.782 7.531 0.251 19218 2074 1 13 . 1 1 39 39 ALA N N 39 123.137 123.137 121.050 2.087 19218 2075 1 13 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.747 -0.911 19218 2076 1 13 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.051 0.239 19218 2077 1 13 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.006 -0.931 19218 2078 1 13 . 1 1 39 39 ALA H H 39 7.118 7.118 7.813 -0.695 19218 2079 1 13 . 1 1 40 40 ASN N N 40 113.073 113.073 115.862 -2.789 19218 2080 1 13 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.500 -0.066 19218 2081 1 13 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.694 -0.442 19218 2082 1 13 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.372 -1.633 19218 2083 1 13 . 1 1 40 40 ASN H H 40 7.954 7.954 8.365 -0.411 19218 2084 1 13 . 1 1 41 41 SER N N 41 118.672 118.672 117.027 1.645 19218 2085 1 13 . 1 1 41 41 SER HA H 41 4.166 4.166 4.182 -0.016 19218 2086 1 13 . 1 1 41 41 SER CA C 41 61.119 61.119 61.708 -0.589 19218 2087 1 13 . 1 1 41 41 SER CB C 41 62.321 62.321 62.998 -0.677 19218 2088 1 13 . 1 1 41 41 SER H H 41 8.097 8.097 7.928 0.169 19218 2089 1 13 . 1 1 42 42 ILE N N 42 126.562 126.562 120.815 5.747 19218 2090 1 13 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.794 -0.332 19218 2091 1 13 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.803 -1.487 19218 2092 1 13 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.882 -3.219 19218 2093 1 13 . 1 1 42 42 ILE H H 42 6.995 6.995 7.565 -0.570 19218 2094 1 14 . 1 1 10 10 SER N N 10 116.136 116.136 115.337 0.799 19218 2095 1 14 . 1 1 10 10 SER HA H 10 4.238 4.238 4.596 -0.358 19218 2096 1 14 . 1 1 10 10 SER CA C 10 59.536 59.536 58.294 1.242 19218 2097 1 14 . 1 1 10 10 SER CB C 10 62.858 62.858 64.341 -1.483 19218 2098 1 14 . 1 1 10 10 SER H H 10 8.600 8.600 7.988 0.612 19218 2099 1 14 . 1 1 11 11 ALA N N 11 125.978 125.978 125.956 0.022 19218 2100 1 14 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.094 0.030 19218 2101 1 14 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.628 -0.334 19218 2102 1 14 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.129 0.324 19218 2103 1 14 . 1 1 11 11 ALA H H 11 8.301 8.301 8.494 -0.193 19218 2104 1 14 . 1 1 12 12 PHE N N 12 116.204 116.204 117.784 -1.580 19218 2105 1 14 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.358 -0.715 19218 2106 1 14 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.438 0.253 19218 2107 1 14 . 1 1 12 12 PHE CB C 12 38.510 38.510 38.567 -0.057 19218 2108 1 14 . 1 1 12 12 PHE H H 12 7.521 7.521 8.113 -0.592 19218 2109 1 14 . 1 1 13 13 VAL N N 13 119.293 119.293 120.429 -1.136 19218 2110 1 14 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.559 -0.198 19218 2111 1 14 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.010 0.098 19218 2112 1 14 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.513 -0.045 19218 2113 1 14 . 1 1 13 13 VAL H H 13 7.693 7.693 7.875 -0.182 19218 2114 1 14 . 1 1 14 14 THR N N 14 114.423 114.423 116.504 -2.081 19218 2115 1 14 . 1 1 14 14 THR HA H 14 3.949 3.949 3.991 -0.042 19218 2116 1 14 . 1 1 14 14 THR CA C 14 66.076 66.076 66.780 -0.704 19218 2117 1 14 . 1 1 14 14 THR CB C 14 68.449 68.449 68.194 0.255 19218 2118 1 14 . 1 1 14 14 THR H H 14 7.902 7.902 8.688 -0.786 19218 2119 1 14 . 1 1 15 15 LYS N N 15 120.738 120.738 121.464 -0.726 19218 2120 1 14 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.984 0.182 19218 2121 1 14 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.196 -0.612 19218 2122 1 14 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.952 0.373 19218 2123 1 14 . 1 1 15 15 LYS H H 15 7.738 7.738 7.527 0.211 19218 2124 1 14 . 1 1 16 16 ALA N N 16 123.499 123.499 121.631 1.868 19218 2125 1 14 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.998 -0.131 19218 2126 1 14 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.028 0.776 19218 2127 1 14 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.137 -0.788 19218 2128 1 14 . 1 1 16 16 ALA H H 16 8.597 8.597 7.798 0.799 19218 2129 1 14 . 1 1 17 17 GLU N N 17 115.381 115.381 118.342 -2.961 19218 2130 1 14 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.906 -0.250 19218 2131 1 14 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.295 0.055 19218 2132 1 14 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.511 -0.299 19218 2133 1 14 . 1 1 17 17 GLU H H 17 8.033 8.033 7.907 0.126 19218 2134 1 14 . 1 1 18 18 GLU N N 18 118.231 118.231 118.950 -0.719 19218 2135 1 14 . 1 1 18 18 GLU HA H 18 3.857 3.857 3.999 -0.142 19218 2136 1 14 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.861 0.244 19218 2137 1 14 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.393 -0.157 19218 2138 1 14 . 1 1 18 18 GLU H H 18 7.884 7.884 8.040 -0.156 19218 2139 1 14 . 1 1 19 19 MET N N 19 119.064 119.064 118.443 0.621 19218 2140 1 14 . 1 1 19 19 MET HA H 19 3.893 3.893 3.988 -0.095 19218 2141 1 14 . 1 1 19 19 MET CA C 19 60.090 60.090 59.075 1.016 19218 2142 1 14 . 1 1 19 19 MET CB C 19 33.764 33.764 32.624 1.140 19218 2143 1 14 . 1 1 19 19 MET H H 19 8.384 8.384 7.342 1.042 19218 2144 1 14 . 1 1 20 20 ILE N N 20 111.356 111.356 114.169 -2.813 19218 2145 1 14 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.066 -0.244 19218 2146 1 14 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.018 0.632 19218 2147 1 14 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.285 -0.727 19218 2148 1 14 . 1 1 20 20 ILE H H 20 7.472 7.472 7.298 0.174 19218 2149 1 14 . 1 1 21 21 LYS N N 21 119.838 119.838 120.072 -0.234 19218 2150 1 14 . 1 1 21 21 LYS HA H 21 4.051 4.051 4.037 0.014 19218 2151 1 14 . 1 1 21 21 LYS CA C 21 57.686 57.686 58.921 -1.235 19218 2152 1 14 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.321 -0.026 19218 2153 1 14 . 1 1 21 21 LYS H H 21 7.356 7.356 7.540 -0.184 19218 2154 1 14 . 1 1 22 22 SER N N 22 111.769 111.769 112.155 -0.386 19218 2155 1 14 . 1 1 22 22 SER HA H 22 4.142 4.142 4.445 -0.303 19218 2156 1 14 . 1 1 22 22 SER CA C 22 59.093 59.093 59.905 -0.812 19218 2157 1 14 . 1 1 22 22 SER CB C 22 63.622 63.622 64.350 -0.728 19218 2158 1 14 . 1 1 22 22 SER H H 22 7.420 7.420 7.599 -0.179 19218 2159 1 14 . 1 1 23 23 HIS N N 23 117.400 117.400 119.458 -2.058 19218 2160 1 14 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.982 0.100 19218 2161 1 14 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.268 -1.369 19218 2162 1 14 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.350 -0.870 19218 2163 1 14 . 1 1 23 23 HIS H H 23 6.849 6.849 7.651 -0.802 19218 2164 1 14 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.355 -0.284 19218 2165 1 14 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.179 0.618 19218 2166 1 14 . 1 1 24 24 PRO CB C 24 31.703 31.703 31.996 -0.293 19218 2167 1 14 . 1 1 25 25 TYR N N 25 113.093 113.093 119.394 -6.301 19218 2168 1 14 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.724 0.274 19218 2169 1 14 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.816 -1.827 19218 2170 1 14 . 1 1 25 25 TYR CB C 25 38.525 38.525 37.007 1.518 19218 2171 1 14 . 1 1 25 25 TYR H H 25 7.830 7.830 7.947 -0.117 19218 2172 1 14 . 1 1 26 26 PHE N N 26 127.175 127.175 121.628 5.547 19218 2173 1 14 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.844 -0.529 19218 2174 1 14 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.699 0.986 19218 2175 1 14 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.542 -0.547 19218 2176 1 14 . 1 1 26 26 PHE H H 26 9.123 9.123 8.217 0.906 19218 2177 1 14 . 1 1 27 27 GLN N N 27 128.714 128.714 123.894 4.820 19218 2178 1 14 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.776 0.564 19218 2179 1 14 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.641 -1.272 19218 2180 1 14 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.881 2.990 19218 2181 1 14 . 1 1 27 27 GLN H H 27 8.452 8.452 8.292 0.160 19218 2182 1 14 . 1 1 28 28 LEU N N 28 130.057 130.057 130.094 -0.037 19218 2183 1 14 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.279 -0.851 19218 2184 1 14 . 1 1 28 28 LEU CA C 28 54.917 54.917 55.111 -0.194 19218 2185 1 14 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.042 0.735 19218 2186 1 14 . 1 1 28 28 LEU H H 28 8.725 8.725 8.367 0.358 19218 2187 1 14 . 1 1 29 29 SER N N 29 122.598 122.598 117.860 4.738 19218 2188 1 14 . 1 1 29 29 SER HA H 29 4.807 4.807 4.689 0.118 19218 2189 1 14 . 1 1 29 29 SER CA C 29 56.103 56.103 57.328 -1.225 19218 2190 1 14 . 1 1 29 29 SER CB C 29 68.677 68.677 65.904 2.773 19218 2191 1 14 . 1 1 29 29 SER H H 29 8.540 8.540 8.609 -0.069 19218 2192 1 14 . 1 1 30 30 ALA N N 30 121.919 121.919 122.133 -0.214 19218 2193 1 14 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.003 0.508 19218 2194 1 14 . 1 1 30 30 ALA CA C 30 51.223 51.223 52.809 -1.586 19218 2195 1 14 . 1 1 30 30 ALA CB C 30 21.448 21.448 18.430 3.018 19218 2196 1 14 . 1 1 30 30 ALA H H 30 7.215 7.215 8.509 -1.294 19218 2197 1 14 . 1 1 31 31 SER N N 31 121.144 121.144 116.589 4.555 19218 2198 1 14 . 1 1 31 31 SER HA H 31 3.721 3.721 4.284 -0.563 19218 2199 1 14 . 1 1 31 31 SER CA C 31 60.666 60.666 58.434 2.232 19218 2200 1 14 . 1 1 31 31 SER CB C 31 61.979 61.979 63.142 -1.163 19218 2201 1 14 . 1 1 31 31 SER H H 31 8.979 8.979 8.817 0.162 19218 2202 1 14 . 1 1 32 32 TRP N N 32 113.811 113.811 120.711 -6.900 19218 2203 1 14 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.947 -0.481 19218 2204 1 14 . 1 1 32 32 TRP CA C 32 54.110 54.110 56.021 -1.911 19218 2205 1 14 . 1 1 32 32 TRP CB C 32 29.431 29.431 28.442 0.989 19218 2206 1 14 . 1 1 32 32 TRP H H 32 6.228 6.228 8.065 -1.837 19218 2207 1 14 . 1 1 33 33 CYS N N 33 123.310 123.310 121.999 1.311 19218 2208 1 14 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.889 0.024 19218 2209 1 14 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.318 -0.856 19218 2210 1 14 . 1 1 33 33 CYS CB C 33 26.864 26.864 31.209 -4.345 19218 2211 1 14 . 1 1 33 33 CYS H H 33 7.346 7.346 7.976 -0.630 19218 2212 1 14 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.425 -0.133 19218 2213 1 14 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.045 0.496 19218 2214 1 14 . 1 1 34 34 PRO CB C 34 32.213 32.213 32.183 0.030 19218 2215 1 14 . 1 1 35 35 ASP N N 35 117.958 117.958 119.501 -1.543 19218 2216 1 14 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.491 0.243 19218 2217 1 14 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.156 0.526 19218 2218 1 14 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.063 1.323 19218 2219 1 14 . 1 1 35 35 ASP H H 35 7.757 7.757 9.033 -1.276 19218 2220 1 14 . 1 1 36 36 CYS N N 36 117.708 117.708 116.739 0.969 19218 2221 1 14 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.186 -0.822 19218 2222 1 14 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.593 1.121 19218 2223 1 14 . 1 1 36 36 CYS CB C 36 27.050 27.050 26.893 0.157 19218 2224 1 14 . 1 1 36 36 CYS H H 36 7.621 7.621 7.826 -0.205 19218 2225 1 14 . 1 1 37 37 VAL N N 37 122.173 122.173 119.578 2.595 19218 2226 1 14 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.650 -0.099 19218 2227 1 14 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.559 -0.094 19218 2228 1 14 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.489 -0.386 19218 2229 1 14 . 1 1 37 37 VAL H H 37 7.400 7.400 7.276 0.124 19218 2230 1 14 . 1 1 38 38 TYR N N 38 119.439 119.439 120.336 -0.897 19218 2231 1 14 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.048 0.153 19218 2232 1 14 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.985 -1.789 19218 2233 1 14 . 1 1 38 38 TYR CB C 38 37.129 37.129 37.940 -0.811 19218 2234 1 14 . 1 1 38 38 TYR H H 38 7.782 7.782 7.507 0.275 19218 2235 1 14 . 1 1 39 39 ALA N N 39 123.137 123.137 120.231 2.906 19218 2236 1 14 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.823 -0.987 19218 2237 1 14 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.000 0.290 19218 2238 1 14 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.102 -1.027 19218 2239 1 14 . 1 1 39 39 ALA H H 39 7.118 7.118 7.879 -0.761 19218 2240 1 14 . 1 1 40 40 ASN N N 40 113.073 113.073 116.289 -3.216 19218 2241 1 14 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.546 -0.112 19218 2242 1 14 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.638 -0.385 19218 2243 1 14 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.278 -1.539 19218 2244 1 14 . 1 1 40 40 ASN H H 40 7.954 7.954 7.738 0.216 19218 2245 1 14 . 1 1 41 41 SER N N 41 118.672 118.672 117.612 1.060 19218 2246 1 14 . 1 1 41 41 SER HA H 41 4.166 4.166 4.149 0.017 19218 2247 1 14 . 1 1 41 41 SER CA C 41 61.119 61.119 62.240 -1.121 19218 2248 1 14 . 1 1 41 41 SER CB C 41 62.321 62.321 63.129 -0.808 19218 2249 1 14 . 1 1 41 41 SER H H 41 8.097 8.097 8.286 -0.189 19218 2250 1 14 . 1 1 42 42 ILE N N 42 126.562 126.562 120.628 5.934 19218 2251 1 14 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.794 -0.332 19218 2252 1 14 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.757 -1.441 19218 2253 1 14 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.883 -3.220 19218 2254 1 14 . 1 1 42 42 ILE H H 42 6.995 6.995 7.733 -0.738 19218 2255 1 15 . 1 1 10 10 SER N N 10 116.136 116.136 119.404 -3.268 19218 2256 1 15 . 1 1 10 10 SER HA H 10 4.238 4.238 4.135 0.103 19218 2257 1 15 . 1 1 10 10 SER CA C 10 59.536 59.536 60.626 -1.090 19218 2258 1 15 . 1 1 10 10 SER CB C 10 62.858 62.858 63.123 -0.265 19218 2259 1 15 . 1 1 10 10 SER H H 10 8.600 8.600 8.837 -0.237 19218 2260 1 15 . 1 1 11 11 ALA N N 11 125.978 125.978 123.780 2.198 19218 2261 1 15 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.109 0.015 19218 2262 1 15 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.572 -0.278 19218 2263 1 15 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.122 0.331 19218 2264 1 15 . 1 1 11 11 ALA H H 11 8.301 8.301 8.362 -0.061 19218 2265 1 15 . 1 1 12 12 PHE N N 12 116.204 116.204 117.401 -1.197 19218 2266 1 15 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.418 -0.775 19218 2267 1 15 . 1 1 12 12 PHE CA C 12 60.691 60.691 61.101 -0.410 19218 2268 1 15 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.414 -0.904 19218 2269 1 15 . 1 1 12 12 PHE H H 12 7.521 7.521 7.783 -0.262 19218 2270 1 15 . 1 1 13 13 VAL N N 13 119.293 119.293 121.102 -1.809 19218 2271 1 15 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.568 -0.207 19218 2272 1 15 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.128 -0.021 19218 2273 1 15 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.292 0.176 19218 2274 1 15 . 1 1 13 13 VAL H H 13 7.693 7.693 7.958 -0.265 19218 2275 1 15 . 1 1 14 14 THR N N 14 114.423 114.423 113.890 0.533 19218 2276 1 15 . 1 1 14 14 THR HA H 14 3.949 3.949 3.880 0.069 19218 2277 1 15 . 1 1 14 14 THR CA C 14 66.076 66.076 66.625 -0.549 19218 2278 1 15 . 1 1 14 14 THR CB C 14 68.449 68.449 68.518 -0.069 19218 2279 1 15 . 1 1 14 14 THR H H 14 7.902 7.902 8.093 -0.191 19218 2280 1 15 . 1 1 15 15 LYS N N 15 120.738 120.738 120.850 -0.112 19218 2281 1 15 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.045 0.121 19218 2282 1 15 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.887 -0.303 19218 2283 1 15 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.838 0.487 19218 2284 1 15 . 1 1 15 15 LYS H H 15 7.738 7.738 7.570 0.168 19218 2285 1 15 . 1 1 16 16 ALA N N 16 123.499 123.499 122.015 1.484 19218 2286 1 15 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.251 -0.384 19218 2287 1 15 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.218 0.586 19218 2288 1 15 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.268 -0.919 19218 2289 1 15 . 1 1 16 16 ALA H H 16 8.597 8.597 8.237 0.360 19218 2290 1 15 . 1 1 17 17 GLU N N 17 115.381 115.381 118.155 -2.774 19218 2291 1 15 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.994 -0.338 19218 2292 1 15 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.391 -0.041 19218 2293 1 15 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.458 -0.246 19218 2294 1 15 . 1 1 17 17 GLU H H 17 8.033 8.033 8.078 -0.045 19218 2295 1 15 . 1 1 18 18 GLU N N 18 118.231 118.231 119.477 -1.246 19218 2296 1 15 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.099 -0.242 19218 2297 1 15 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.712 0.393 19218 2298 1 15 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.264 -0.028 19218 2299 1 15 . 1 1 18 18 GLU H H 18 7.884 7.884 8.139 -0.255 19218 2300 1 15 . 1 1 19 19 MET N N 19 119.064 119.064 117.904 1.160 19218 2301 1 15 . 1 1 19 19 MET HA H 19 3.893 3.893 4.143 -0.250 19218 2302 1 15 . 1 1 19 19 MET CA C 19 60.090 60.090 57.970 2.120 19218 2303 1 15 . 1 1 19 19 MET CB C 19 33.764 33.764 32.694 1.070 19218 2304 1 15 . 1 1 19 19 MET H H 19 8.384 8.384 7.394 0.990 19218 2305 1 15 . 1 1 20 20 ILE N N 20 111.356 111.356 114.324 -2.968 19218 2306 1 15 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.122 -0.300 19218 2307 1 15 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.344 0.306 19218 2308 1 15 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.268 -0.710 19218 2309 1 15 . 1 1 20 20 ILE H H 20 7.472 7.472 7.495 -0.023 19218 2310 1 15 . 1 1 21 21 LYS N N 21 119.838 119.838 120.533 -0.695 19218 2311 1 15 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.997 0.054 19218 2312 1 15 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.590 -1.904 19218 2313 1 15 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.211 0.084 19218 2314 1 15 . 1 1 21 21 LYS H H 21 7.356 7.356 7.748 -0.392 19218 2315 1 15 . 1 1 22 22 SER N N 22 111.769 111.769 110.885 0.884 19218 2316 1 15 . 1 1 22 22 SER HA H 22 4.142 4.142 4.477 -0.335 19218 2317 1 15 . 1 1 22 22 SER CA C 22 59.093 59.093 59.084 0.008 19218 2318 1 15 . 1 1 22 22 SER CB C 22 63.622 63.622 63.879 -0.257 19218 2319 1 15 . 1 1 22 22 SER H H 22 7.420 7.420 7.790 -0.370 19218 2320 1 15 . 1 1 23 23 HIS N N 23 117.400 117.400 120.008 -2.608 19218 2321 1 15 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.980 0.102 19218 2322 1 15 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.808 -1.909 19218 2323 1 15 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.510 -1.030 19218 2324 1 15 . 1 1 23 23 HIS H H 23 6.849 6.849 7.561 -0.712 19218 2325 1 15 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.428 -0.357 19218 2326 1 15 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.503 0.294 19218 2327 1 15 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.446 -0.743 19218 2328 1 15 . 1 1 25 25 TYR N N 25 113.093 113.093 119.063 -5.970 19218 2329 1 15 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.977 0.021 19218 2330 1 15 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.261 -1.272 19218 2331 1 15 . 1 1 25 25 TYR CB C 25 38.525 38.525 37.272 1.253 19218 2332 1 15 . 1 1 25 25 TYR H H 25 7.830 7.830 8.015 -0.185 19218 2333 1 15 . 1 1 26 26 PHE N N 26 127.175 127.175 121.985 5.190 19218 2334 1 15 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.891 -0.576 19218 2335 1 15 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.431 1.254 19218 2336 1 15 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.255 -0.260 19218 2337 1 15 . 1 1 26 26 PHE H H 26 9.123 9.123 8.088 1.035 19218 2338 1 15 . 1 1 27 27 GLN N N 27 128.714 128.714 124.470 4.244 19218 2339 1 15 . 1 1 27 27 GLN HA H 27 5.340 5.340 5.393 -0.053 19218 2340 1 15 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.493 -1.124 19218 2341 1 15 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.212 2.659 19218 2342 1 15 . 1 1 27 27 GLN H H 27 8.452 8.452 8.269 0.183 19218 2343 1 15 . 1 1 28 28 LEU N N 28 130.057 130.057 128.573 1.484 19218 2344 1 15 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.484 -1.056 19218 2345 1 15 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.627 0.290 19218 2346 1 15 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.580 0.197 19218 2347 1 15 . 1 1 28 28 LEU H H 28 8.725 8.725 8.565 0.160 19218 2348 1 15 . 1 1 29 29 SER N N 29 122.598 122.598 120.156 2.442 19218 2349 1 15 . 1 1 29 29 SER HA H 29 4.807 4.807 4.929 -0.122 19218 2350 1 15 . 1 1 29 29 SER CA C 29 56.103 56.103 57.573 -1.470 19218 2351 1 15 . 1 1 29 29 SER CB C 29 68.677 68.677 65.009 3.668 19218 2352 1 15 . 1 1 29 29 SER H H 29 8.540 8.540 8.325 0.215 19218 2353 1 15 . 1 1 30 30 ALA N N 30 121.919 121.919 122.274 -0.355 19218 2354 1 15 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.824 -0.313 19218 2355 1 15 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.350 0.873 19218 2356 1 15 . 1 1 30 30 ALA CB C 30 21.448 21.448 21.253 0.195 19218 2357 1 15 . 1 1 30 30 ALA H H 30 7.215 7.215 8.315 -1.100 19218 2358 1 15 . 1 1 31 31 SER N N 31 121.144 121.144 116.484 4.660 19218 2359 1 15 . 1 1 31 31 SER HA H 31 3.721 3.721 4.336 -0.615 19218 2360 1 15 . 1 1 31 31 SER CA C 31 60.666 60.666 58.280 2.386 19218 2361 1 15 . 1 1 31 31 SER CB C 31 61.979 61.979 61.735 0.244 19218 2362 1 15 . 1 1 31 31 SER H H 31 8.979 8.979 8.774 0.205 19218 2363 1 15 . 1 1 32 32 TRP N N 32 113.811 113.811 123.309 -9.498 19218 2364 1 15 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.316 0.150 19218 2365 1 15 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.867 -3.757 19218 2366 1 15 . 1 1 32 32 TRP CB C 32 29.431 29.431 27.109 2.322 19218 2367 1 15 . 1 1 32 32 TRP H H 32 6.228 6.228 8.469 -2.241 19218 2368 1 15 . 1 1 33 33 CYS N N 33 123.310 123.310 121.825 1.485 19218 2369 1 15 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.616 0.297 19218 2370 1 15 . 1 1 33 33 CYS CA C 33 55.462 55.462 55.675 -0.213 19218 2371 1 15 . 1 1 33 33 CYS CB C 33 26.864 26.864 27.860 -0.996 19218 2372 1 15 . 1 1 33 33 CYS H H 33 7.346 7.346 8.301 -0.955 19218 2373 1 15 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.190 0.102 19218 2374 1 15 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.475 0.066 19218 2375 1 15 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.838 0.375 19218 2376 1 15 . 1 1 35 35 ASP N N 35 117.958 117.958 117.179 0.779 19218 2377 1 15 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.499 0.235 19218 2378 1 15 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.183 0.499 19218 2379 1 15 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.668 0.718 19218 2380 1 15 . 1 1 35 35 ASP H H 35 7.757 7.757 8.650 -0.893 19218 2381 1 15 . 1 1 36 36 CYS N N 36 117.708 117.708 118.879 -1.171 19218 2382 1 15 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.363 -0.999 19218 2383 1 15 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.462 0.251 19218 2384 1 15 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.519 -0.469 19218 2385 1 15 . 1 1 36 36 CYS H H 36 7.621 7.621 7.916 -0.295 19218 2386 1 15 . 1 1 37 37 VAL N N 37 122.173 122.173 120.557 1.616 19218 2387 1 15 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.802 -0.251 19218 2388 1 15 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.832 0.633 19218 2389 1 15 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.812 -0.709 19218 2390 1 15 . 1 1 37 37 VAL H H 37 7.400 7.400 8.335 -0.935 19218 2391 1 15 . 1 1 38 38 TYR N N 38 119.439 119.439 120.977 -1.538 19218 2392 1 15 . 1 1 38 38 TYR HA H 38 4.201 4.201 3.997 0.204 19218 2393 1 15 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.739 -1.543 19218 2394 1 15 . 1 1 38 38 TYR CB C 38 37.129 37.129 37.876 -0.747 19218 2395 1 15 . 1 1 38 38 TYR H H 38 7.782 7.782 7.711 0.071 19218 2396 1 15 . 1 1 39 39 ALA N N 39 123.137 123.137 119.653 3.484 19218 2397 1 15 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.596 -0.760 19218 2398 1 15 . 1 1 39 39 ALA CA C 39 55.290 55.290 54.571 0.719 19218 2399 1 15 . 1 1 39 39 ALA CB C 39 17.075 17.075 17.909 -0.834 19218 2400 1 15 . 1 1 39 39 ALA H H 39 7.118 7.118 7.648 -0.530 19218 2401 1 15 . 1 1 40 40 ASN N N 40 113.073 113.073 115.515 -2.442 19218 2402 1 15 . 1 1 40 40 ASN HA H 40 4.434 4.434 2.799 1.635 19218 2403 1 15 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.469 -0.216 19218 2404 1 15 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.407 -1.668 19218 2405 1 15 . 1 1 40 40 ASN H H 40 7.954 7.954 7.860 0.094 19218 2406 1 15 . 1 1 41 41 SER N N 41 118.672 118.672 116.188 2.484 19218 2407 1 15 . 1 1 41 41 SER HA H 41 4.166 4.166 4.067 0.099 19218 2408 1 15 . 1 1 41 41 SER CA C 41 61.119 61.119 61.743 -0.624 19218 2409 1 15 . 1 1 41 41 SER CB C 41 62.321 62.321 62.839 -0.518 19218 2410 1 15 . 1 1 41 41 SER H H 41 8.097 8.097 7.774 0.323 19218 2411 1 15 . 1 1 42 42 ILE N N 42 126.562 126.562 121.572 4.990 19218 2412 1 15 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.625 -0.163 19218 2413 1 15 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.744 -1.428 19218 2414 1 15 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.932 -3.269 19218 2415 1 15 . 1 1 42 42 ILE H H 42 6.995 6.995 7.154 -0.159 19218 2416 1 16 . 1 1 10 10 SER N N 10 116.136 116.136 112.899 3.237 19218 2417 1 16 . 1 1 10 10 SER HA H 10 4.238 4.238 4.186 0.052 19218 2418 1 16 . 1 1 10 10 SER CA C 10 59.536 59.536 58.854 0.682 19218 2419 1 16 . 1 1 10 10 SER CB C 10 62.858 62.858 62.829 0.029 19218 2420 1 16 . 1 1 10 10 SER H H 10 8.600 8.600 8.461 0.139 19218 2421 1 16 . 1 1 11 11 ALA N N 11 125.978 125.978 121.466 4.512 19218 2422 1 16 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.366 -0.242 19218 2423 1 16 . 1 1 11 11 ALA CA C 11 54.294 54.294 53.295 0.999 19218 2424 1 16 . 1 1 11 11 ALA CB C 11 18.453 18.453 19.056 -0.603 19218 2425 1 16 . 1 1 11 11 ALA H H 11 8.301 8.301 8.205 0.096 19218 2426 1 16 . 1 1 12 12 PHE N N 12 116.204 116.204 116.914 -0.710 19218 2427 1 16 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.527 -0.884 19218 2428 1 16 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.739 0.953 19218 2429 1 16 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.276 -1.766 19218 2430 1 16 . 1 1 12 12 PHE H H 12 7.521 7.521 7.960 -0.439 19218 2431 1 16 . 1 1 13 13 VAL N N 13 119.293 119.293 119.958 -0.665 19218 2432 1 16 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.677 -0.316 19218 2433 1 16 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.979 0.128 19218 2434 1 16 . 1 1 13 13 VAL CB C 13 31.468 31.468 30.775 0.693 19218 2435 1 16 . 1 1 13 13 VAL H H 13 7.693 7.693 8.174 -0.481 19218 2436 1 16 . 1 1 14 14 THR N N 14 114.423 114.423 114.795 -0.372 19218 2437 1 16 . 1 1 14 14 THR HA H 14 3.949 3.949 4.094 -0.145 19218 2438 1 16 . 1 1 14 14 THR CA C 14 66.076 66.076 66.490 -0.414 19218 2439 1 16 . 1 1 14 14 THR CB C 14 68.449 68.449 68.237 0.212 19218 2440 1 16 . 1 1 14 14 THR H H 14 7.902 7.902 8.023 -0.121 19218 2441 1 16 . 1 1 15 15 LYS N N 15 120.738 120.738 121.704 -0.966 19218 2442 1 16 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.933 0.233 19218 2443 1 16 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.300 -0.716 19218 2444 1 16 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.708 0.617 19218 2445 1 16 . 1 1 15 15 LYS H H 15 7.738 7.738 8.117 -0.379 19218 2446 1 16 . 1 1 16 16 ALA N N 16 123.499 123.499 121.875 1.624 19218 2447 1 16 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.956 -0.089 19218 2448 1 16 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.157 0.647 19218 2449 1 16 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.259 -0.909 19218 2450 1 16 . 1 1 16 16 ALA H H 16 8.597 8.597 7.897 0.700 19218 2451 1 16 . 1 1 17 17 GLU N N 17 115.381 115.381 117.965 -2.584 19218 2452 1 16 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.912 -0.256 19218 2453 1 16 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.398 -0.048 19218 2454 1 16 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.428 -0.216 19218 2455 1 16 . 1 1 17 17 GLU H H 17 8.033 8.033 7.634 0.399 19218 2456 1 16 . 1 1 18 18 GLU N N 18 118.231 118.231 119.378 -1.147 19218 2457 1 16 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.076 -0.219 19218 2458 1 16 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.544 0.561 19218 2459 1 16 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.369 -0.133 19218 2460 1 16 . 1 1 18 18 GLU H H 18 7.884 7.884 8.287 -0.403 19218 2461 1 16 . 1 1 19 19 MET N N 19 119.064 119.064 118.299 0.765 19218 2462 1 16 . 1 1 19 19 MET HA H 19 3.893 3.893 4.030 -0.137 19218 2463 1 16 . 1 1 19 19 MET CA C 19 60.090 60.090 59.753 0.337 19218 2464 1 16 . 1 1 19 19 MET CB C 19 33.764 33.764 32.765 0.999 19218 2465 1 16 . 1 1 19 19 MET H H 19 8.384 8.384 7.732 0.652 19218 2466 1 16 . 1 1 20 20 ILE N N 20 111.356 111.356 114.901 -3.545 19218 2467 1 16 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.223 -0.401 19218 2468 1 16 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.371 0.279 19218 2469 1 16 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.303 -0.745 19218 2470 1 16 . 1 1 20 20 ILE H H 20 7.472 7.472 7.614 -0.142 19218 2471 1 16 . 1 1 21 21 LYS N N 21 119.838 119.838 121.262 -1.424 19218 2472 1 16 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.991 0.060 19218 2473 1 16 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.470 -1.784 19218 2474 1 16 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.209 0.086 19218 2475 1 16 . 1 1 21 21 LYS H H 21 7.356 7.356 7.683 -0.327 19218 2476 1 16 . 1 1 22 22 SER N N 22 111.769 111.769 111.267 0.502 19218 2477 1 16 . 1 1 22 22 SER HA H 22 4.142 4.142 4.464 -0.322 19218 2478 1 16 . 1 1 22 22 SER CA C 22 59.093 59.093 59.957 -0.864 19218 2479 1 16 . 1 1 22 22 SER CB C 22 63.622 63.622 64.329 -0.707 19218 2480 1 16 . 1 1 22 22 SER H H 22 7.420 7.420 7.649 -0.229 19218 2481 1 16 . 1 1 23 23 HIS N N 23 117.400 117.400 119.500 -2.100 19218 2482 1 16 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.041 0.041 19218 2483 1 16 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.580 -1.681 19218 2484 1 16 . 1 1 23 23 HIS CB C 23 29.480 29.480 30.470 -0.990 19218 2485 1 16 . 1 1 23 23 HIS H H 23 6.849 6.849 7.792 -0.943 19218 2486 1 16 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.432 -0.361 19218 2487 1 16 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.082 0.715 19218 2488 1 16 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.194 -0.491 19218 2489 1 16 . 1 1 25 25 TYR N N 25 113.093 113.093 119.647 -6.554 19218 2490 1 16 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.757 0.241 19218 2491 1 16 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.512 -1.523 19218 2492 1 16 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.930 1.595 19218 2493 1 16 . 1 1 25 25 TYR H H 25 7.830 7.830 7.974 -0.144 19218 2494 1 16 . 1 1 26 26 PHE N N 26 127.175 127.175 122.188 4.987 19218 2495 1 16 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.795 -0.480 19218 2496 1 16 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.792 0.893 19218 2497 1 16 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.031 -0.036 19218 2498 1 16 . 1 1 26 26 PHE H H 26 9.123 9.123 8.179 0.944 19218 2499 1 16 . 1 1 27 27 GLN N N 27 128.714 128.714 125.676 3.038 19218 2500 1 16 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.829 0.511 19218 2501 1 16 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.690 -1.321 19218 2502 1 16 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.160 3.711 19218 2503 1 16 . 1 1 27 27 GLN H H 27 8.452 8.452 8.359 0.093 19218 2504 1 16 . 1 1 28 28 LEU N N 28 130.057 130.057 128.416 1.641 19218 2505 1 16 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.632 -1.204 19218 2506 1 16 . 1 1 28 28 LEU CA C 28 54.917 54.917 53.541 1.376 19218 2507 1 16 . 1 1 28 28 LEU CB C 28 42.777 42.777 43.948 -1.171 19218 2508 1 16 . 1 1 28 28 LEU H H 28 8.725 8.725 8.976 -0.251 19218 2509 1 16 . 1 1 29 29 SER N N 29 122.598 122.598 121.958 0.640 19218 2510 1 16 . 1 1 29 29 SER HA H 29 4.807 4.807 4.820 -0.013 19218 2511 1 16 . 1 1 29 29 SER CA C 29 56.103 56.103 57.248 -1.145 19218 2512 1 16 . 1 1 29 29 SER CB C 29 68.677 68.677 66.766 1.911 19218 2513 1 16 . 1 1 29 29 SER H H 29 8.540 8.540 8.105 0.435 19218 2514 1 16 . 1 1 30 30 ALA N N 30 121.919 121.919 123.443 -1.524 19218 2515 1 16 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.357 0.154 19218 2516 1 16 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.711 -0.487 19218 2517 1 16 . 1 1 30 30 ALA CB C 30 21.448 21.448 19.652 1.796 19218 2518 1 16 . 1 1 30 30 ALA H H 30 7.215 7.215 8.339 -1.124 19218 2519 1 16 . 1 1 31 31 SER N N 31 121.144 121.144 115.770 5.374 19218 2520 1 16 . 1 1 31 31 SER HA H 31 3.721 3.721 4.532 -0.811 19218 2521 1 16 . 1 1 31 31 SER CA C 31 60.666 60.666 58.083 2.583 19218 2522 1 16 . 1 1 31 31 SER CB C 31 61.979 61.979 63.030 -1.051 19218 2523 1 16 . 1 1 31 31 SER H H 31 8.979 8.979 8.500 0.479 19218 2524 1 16 . 1 1 32 32 TRP N N 32 113.811 113.811 125.536 -11.725 19218 2525 1 16 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.340 0.126 19218 2526 1 16 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.684 -3.574 19218 2527 1 16 . 1 1 32 32 TRP CB C 32 29.431 29.431 28.139 1.292 19218 2528 1 16 . 1 1 32 32 TRP H H 32 6.228 6.228 8.913 -2.685 19218 2529 1 16 . 1 1 33 33 CYS N N 33 123.310 123.310 119.503 3.807 19218 2530 1 16 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.810 0.103 19218 2531 1 16 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.088 -0.626 19218 2532 1 16 . 1 1 33 33 CYS CB C 33 26.864 26.864 30.122 -3.258 19218 2533 1 16 . 1 1 33 33 CYS H H 33 7.346 7.346 7.790 -0.444 19218 2534 1 16 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.138 0.154 19218 2535 1 16 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.600 -0.059 19218 2536 1 16 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.848 0.366 19218 2537 1 16 . 1 1 35 35 ASP N N 35 117.958 117.958 116.753 1.205 19218 2538 1 16 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.438 0.296 19218 2539 1 16 . 1 1 35 35 ASP CA C 35 57.682 57.682 58.063 -0.382 19218 2540 1 16 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.654 0.733 19218 2541 1 16 . 1 1 35 35 ASP H H 35 7.757 7.757 8.725 -0.968 19218 2542 1 16 . 1 1 36 36 CYS N N 36 117.708 117.708 119.335 -1.627 19218 2543 1 16 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.196 -0.832 19218 2544 1 16 . 1 1 36 36 CYS CA C 36 62.714 62.714 61.891 0.823 19218 2545 1 16 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.264 -0.214 19218 2546 1 16 . 1 1 36 36 CYS H H 36 7.621 7.621 7.672 -0.051 19218 2547 1 16 . 1 1 37 37 VAL N N 37 122.173 122.173 118.198 3.975 19218 2548 1 16 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.559 -0.008 19218 2549 1 16 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.271 0.194 19218 2550 1 16 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.207 -0.104 19218 2551 1 16 . 1 1 37 37 VAL H H 37 7.400 7.400 7.668 -0.268 19218 2552 1 16 . 1 1 38 38 TYR N N 38 119.439 119.439 122.527 -3.088 19218 2553 1 16 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.097 0.104 19218 2554 1 16 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.169 -0.973 19218 2555 1 16 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.457 -1.328 19218 2556 1 16 . 1 1 38 38 TYR H H 38 7.782 7.782 7.773 0.009 19218 2557 1 16 . 1 1 39 39 ALA N N 39 123.137 123.137 119.916 3.221 19218 2558 1 16 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.772 -0.936 19218 2559 1 16 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.236 0.055 19218 2560 1 16 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.203 -1.128 19218 2561 1 16 . 1 1 39 39 ALA H H 39 7.118 7.118 8.735 -1.617 19218 2562 1 16 . 1 1 40 40 ASN N N 40 113.073 113.073 116.336 -3.263 19218 2563 1 16 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.547 -0.113 19218 2564 1 16 . 1 1 40 40 ASN CA C 40 55.253 55.253 56.305 -1.052 19218 2565 1 16 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.902 -2.163 19218 2566 1 16 . 1 1 40 40 ASN H H 40 7.954 7.954 8.049 -0.095 19218 2567 1 16 . 1 1 41 41 SER N N 41 118.672 118.672 116.790 1.882 19218 2568 1 16 . 1 1 41 41 SER HA H 41 4.166 4.166 3.933 0.233 19218 2569 1 16 . 1 1 41 41 SER CA C 41 61.119 61.119 61.411 -0.292 19218 2570 1 16 . 1 1 41 41 SER CB C 41 62.321 62.321 62.861 -0.541 19218 2571 1 16 . 1 1 41 41 SER H H 41 8.097 8.097 7.735 0.362 19218 2572 1 16 . 1 1 42 42 ILE N N 42 126.562 126.562 122.766 3.796 19218 2573 1 16 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.649 -0.187 19218 2574 1 16 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.823 -1.507 19218 2575 1 16 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.512 -2.849 19218 2576 1 16 . 1 1 42 42 ILE H H 42 6.995 6.995 7.388 -0.393 19218 2577 1 17 . 1 1 10 10 SER N N 10 116.136 116.136 117.940 -1.804 19218 2578 1 17 . 1 1 10 10 SER HA H 10 4.238 4.238 4.246 -0.008 19218 2579 1 17 . 1 1 10 10 SER CA C 10 59.536 59.536 61.389 -1.853 19218 2580 1 17 . 1 1 10 10 SER CB C 10 62.858 62.858 62.888 -0.030 19218 2581 1 17 . 1 1 10 10 SER H H 10 8.600 8.600 8.748 -0.148 19218 2582 1 17 . 1 1 11 11 ALA N N 11 125.978 125.978 123.570 2.408 19218 2583 1 17 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.189 -0.065 19218 2584 1 17 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.565 -0.271 19218 2585 1 17 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.422 0.031 19218 2586 1 17 . 1 1 11 11 ALA H H 11 8.301 8.301 8.315 -0.014 19218 2587 1 17 . 1 1 12 12 PHE N N 12 116.204 116.204 115.938 0.266 19218 2588 1 17 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.348 -0.705 19218 2589 1 17 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.520 1.171 19218 2590 1 17 . 1 1 12 12 PHE CB C 12 38.510 38.510 41.136 -2.626 19218 2591 1 17 . 1 1 12 12 PHE H H 12 7.521 7.521 7.651 -0.130 19218 2592 1 17 . 1 1 13 13 VAL N N 13 119.293 119.293 119.749 -0.456 19218 2593 1 17 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.733 -0.372 19218 2594 1 17 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.236 0.871 19218 2595 1 17 . 1 1 13 13 VAL CB C 13 31.468 31.468 30.787 0.681 19218 2596 1 17 . 1 1 13 13 VAL H H 13 7.693 7.693 9.018 -1.325 19218 2597 1 17 . 1 1 14 14 THR N N 14 114.423 114.423 117.124 -2.701 19218 2598 1 17 . 1 1 14 14 THR HA H 14 3.949 3.949 3.974 -0.025 19218 2599 1 17 . 1 1 14 14 THR CA C 14 66.076 66.076 66.823 -0.747 19218 2600 1 17 . 1 1 14 14 THR CB C 14 68.449 68.449 68.324 0.125 19218 2601 1 17 . 1 1 14 14 THR H H 14 7.902 7.902 7.998 -0.096 19218 2602 1 17 . 1 1 15 15 LYS N N 15 120.738 120.738 121.286 -0.548 19218 2603 1 17 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.045 0.121 19218 2604 1 17 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.081 -0.497 19218 2605 1 17 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.982 0.343 19218 2606 1 17 . 1 1 15 15 LYS H H 15 7.738 7.738 7.626 0.112 19218 2607 1 17 . 1 1 16 16 ALA N N 16 123.499 123.499 122.150 1.349 19218 2608 1 17 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.074 -0.207 19218 2609 1 17 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.240 0.564 19218 2610 1 17 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.068 -0.719 19218 2611 1 17 . 1 1 16 16 ALA H H 16 8.597 8.597 7.471 1.126 19218 2612 1 17 . 1 1 17 17 GLU N N 17 115.381 115.381 118.149 -2.768 19218 2613 1 17 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.974 -0.318 19218 2614 1 17 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.682 -0.332 19218 2615 1 17 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.516 -0.304 19218 2616 1 17 . 1 1 17 17 GLU H H 17 8.033 8.033 7.824 0.209 19218 2617 1 17 . 1 1 18 18 GLU N N 18 118.231 118.231 118.928 -0.697 19218 2618 1 17 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.072 -0.215 19218 2619 1 17 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.890 0.215 19218 2620 1 17 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.526 -0.290 19218 2621 1 17 . 1 1 18 18 GLU H H 18 7.884 7.884 7.662 0.222 19218 2622 1 17 . 1 1 19 19 MET N N 19 119.064 119.064 118.674 0.390 19218 2623 1 17 . 1 1 19 19 MET HA H 19 3.893 3.893 4.146 -0.253 19218 2624 1 17 . 1 1 19 19 MET CA C 19 60.090 60.090 59.145 0.945 19218 2625 1 17 . 1 1 19 19 MET CB C 19 33.764 33.764 32.832 0.932 19218 2626 1 17 . 1 1 19 19 MET H H 19 8.384 8.384 7.657 0.727 19218 2627 1 17 . 1 1 20 20 ILE N N 20 111.356 111.356 114.993 -3.637 19218 2628 1 17 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.011 -0.189 19218 2629 1 17 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.393 0.257 19218 2630 1 17 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.172 -0.614 19218 2631 1 17 . 1 1 20 20 ILE H H 20 7.472 7.472 7.769 -0.297 19218 2632 1 17 . 1 1 21 21 LYS N N 21 119.838 119.838 120.996 -1.158 19218 2633 1 17 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.958 0.093 19218 2634 1 17 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.378 -1.692 19218 2635 1 17 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.136 0.159 19218 2636 1 17 . 1 1 21 21 LYS H H 21 7.356 7.356 7.582 -0.226 19218 2637 1 17 . 1 1 22 22 SER N N 22 111.769 111.769 111.445 0.324 19218 2638 1 17 . 1 1 22 22 SER HA H 22 4.142 4.142 4.393 -0.251 19218 2639 1 17 . 1 1 22 22 SER CA C 22 59.093 59.093 59.767 -0.674 19218 2640 1 17 . 1 1 22 22 SER CB C 22 63.622 63.622 64.104 -0.482 19218 2641 1 17 . 1 1 22 22 SER H H 22 7.420 7.420 7.646 -0.226 19218 2642 1 17 . 1 1 23 23 HIS N N 23 117.400 117.400 118.672 -1.272 19218 2643 1 17 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.925 0.157 19218 2644 1 17 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.509 -1.610 19218 2645 1 17 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.226 0.254 19218 2646 1 17 . 1 1 23 23 HIS H H 23 6.849 6.849 7.677 -0.828 19218 2647 1 17 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.379 -0.308 19218 2648 1 17 . 1 1 24 24 PRO CA C 24 64.797 64.797 63.931 0.866 19218 2649 1 17 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.155 -0.452 19218 2650 1 17 . 1 1 25 25 TYR N N 25 113.093 113.093 119.569 -6.476 19218 2651 1 17 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.830 0.168 19218 2652 1 17 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.173 -1.184 19218 2653 1 17 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.959 1.566 19218 2654 1 17 . 1 1 25 25 TYR H H 25 7.830 7.830 8.026 -0.196 19218 2655 1 17 . 1 1 26 26 PHE N N 26 127.175 127.175 122.649 4.526 19218 2656 1 17 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.573 -0.258 19218 2657 1 17 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.403 1.282 19218 2658 1 17 . 1 1 26 26 PHE CB C 26 42.995 42.995 42.420 0.575 19218 2659 1 17 . 1 1 26 26 PHE H H 26 9.123 9.123 8.302 0.821 19218 2660 1 17 . 1 1 27 27 GLN N N 27 128.714 128.714 123.319 5.395 19218 2661 1 17 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.709 0.631 19218 2662 1 17 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.564 -1.195 19218 2663 1 17 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.699 3.172 19218 2664 1 17 . 1 1 27 27 GLN H H 27 8.452 8.452 8.960 -0.508 19218 2665 1 17 . 1 1 28 28 LEU N N 28 130.057 130.057 128.584 1.473 19218 2666 1 17 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.190 -0.762 19218 2667 1 17 . 1 1 28 28 LEU CA C 28 54.917 54.917 53.690 1.228 19218 2668 1 17 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.473 0.304 19218 2669 1 17 . 1 1 28 28 LEU H H 28 8.725 8.725 8.567 0.158 19218 2670 1 17 . 1 1 29 29 SER N N 29 122.598 122.598 119.158 3.440 19218 2671 1 17 . 1 1 29 29 SER HA H 29 4.807 4.807 4.713 0.094 19218 2672 1 17 . 1 1 29 29 SER CA C 29 56.103 56.103 56.258 -0.155 19218 2673 1 17 . 1 1 29 29 SER CB C 29 68.677 68.677 66.220 2.457 19218 2674 1 17 . 1 1 29 29 SER H H 29 8.540 8.540 8.023 0.517 19218 2675 1 17 . 1 1 30 30 ALA N N 30 121.919 121.919 123.374 -1.455 19218 2676 1 17 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.025 0.486 19218 2677 1 17 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.482 0.741 19218 2678 1 17 . 1 1 30 30 ALA CB C 30 21.448 21.448 19.292 2.156 19218 2679 1 17 . 1 1 30 30 ALA H H 30 7.215 7.215 8.175 -0.960 19218 2680 1 17 . 1 1 31 31 SER N N 31 121.144 121.144 114.015 7.129 19218 2681 1 17 . 1 1 31 31 SER HA H 31 3.721 3.721 4.511 -0.790 19218 2682 1 17 . 1 1 31 31 SER CA C 31 60.666 60.666 58.329 2.337 19218 2683 1 17 . 1 1 31 31 SER CB C 31 61.979 61.979 63.197 -1.218 19218 2684 1 17 . 1 1 31 31 SER H H 31 8.979 8.979 7.592 1.387 19218 2685 1 17 . 1 1 32 32 TRP N N 32 113.811 113.811 118.706 -4.895 19218 2686 1 17 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.793 -0.327 19218 2687 1 17 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.103 -2.993 19218 2688 1 17 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.221 0.210 19218 2689 1 17 . 1 1 32 32 TRP H H 32 6.228 6.228 7.282 -1.054 19218 2690 1 17 . 1 1 33 33 CYS N N 33 123.310 123.310 122.580 0.730 19218 2691 1 17 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.671 0.242 19218 2692 1 17 . 1 1 33 33 CYS CA C 33 55.462 55.462 57.037 -1.575 19218 2693 1 17 . 1 1 33 33 CYS CB C 33 26.864 26.864 28.719 -1.855 19218 2694 1 17 . 1 1 33 33 CYS H H 33 7.346 7.346 7.268 0.078 19218 2695 1 17 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.294 -0.002 19218 2696 1 17 . 1 1 34 34 PRO CA C 34 65.541 65.541 64.779 0.762 19218 2697 1 17 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.838 0.375 19218 2698 1 17 . 1 1 35 35 ASP N N 35 117.958 117.958 119.906 -1.948 19218 2699 1 17 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.370 0.364 19218 2700 1 17 . 1 1 35 35 ASP CA C 35 57.682 57.682 58.150 -0.468 19218 2701 1 17 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.530 0.856 19218 2702 1 17 . 1 1 35 35 ASP H H 35 7.757 7.757 8.880 -1.123 19218 2703 1 17 . 1 1 36 36 CYS N N 36 117.708 117.708 116.375 1.333 19218 2704 1 17 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.051 -0.687 19218 2705 1 17 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.636 0.078 19218 2706 1 17 . 1 1 36 36 CYS CB C 36 27.050 27.050 26.834 0.216 19218 2707 1 17 . 1 1 36 36 CYS H H 36 7.621 7.621 7.611 0.010 19218 2708 1 17 . 1 1 37 37 VAL N N 37 122.173 122.173 121.315 0.858 19218 2709 1 17 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.704 -0.153 19218 2710 1 17 . 1 1 37 37 VAL CA C 37 66.465 66.465 65.751 0.714 19218 2711 1 17 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.071 0.032 19218 2712 1 17 . 1 1 37 37 VAL H H 37 7.400 7.400 7.252 0.148 19218 2713 1 17 . 1 1 38 38 TYR N N 38 119.439 119.439 121.779 -2.340 19218 2714 1 17 . 1 1 38 38 TYR HA H 38 4.201 4.201 3.972 0.229 19218 2715 1 17 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.365 -2.169 19218 2716 1 17 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.313 -1.184 19218 2717 1 17 . 1 1 38 38 TYR H H 38 7.782 7.782 8.263 -0.481 19218 2718 1 17 . 1 1 39 39 ALA N N 39 123.137 123.137 120.106 3.031 19218 2719 1 17 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.777 -0.941 19218 2720 1 17 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.030 0.260 19218 2721 1 17 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.003 -0.928 19218 2722 1 17 . 1 1 39 39 ALA H H 39 7.118 7.118 8.394 -1.276 19218 2723 1 17 . 1 1 40 40 ASN N N 40 113.073 113.073 116.217 -3.144 19218 2724 1 17 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.505 -0.071 19218 2725 1 17 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.651 -0.398 19218 2726 1 17 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.138 -1.399 19218 2727 1 17 . 1 1 40 40 ASN H H 40 7.954 7.954 7.795 0.159 19218 2728 1 17 . 1 1 41 41 SER N N 41 118.672 118.672 117.254 1.418 19218 2729 1 17 . 1 1 41 41 SER HA H 41 4.166 4.166 4.191 -0.025 19218 2730 1 17 . 1 1 41 41 SER CA C 41 61.119 61.119 61.762 -0.643 19218 2731 1 17 . 1 1 41 41 SER CB C 41 62.321 62.321 62.855 -0.534 19218 2732 1 17 . 1 1 41 41 SER H H 41 8.097 8.097 8.010 0.087 19218 2733 1 17 . 1 1 42 42 ILE N N 42 126.562 126.562 120.493 6.069 19218 2734 1 17 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.839 -0.377 19218 2735 1 17 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.809 -1.493 19218 2736 1 17 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.906 -3.243 19218 2737 1 17 . 1 1 42 42 ILE H H 42 6.995 6.995 7.502 -0.507 19218 2738 1 18 . 1 1 10 10 SER N N 10 116.136 116.136 118.078 -1.942 19218 2739 1 18 . 1 1 10 10 SER HA H 10 4.238 4.238 4.233 0.005 19218 2740 1 18 . 1 1 10 10 SER CA C 10 59.536 59.536 60.115 -0.579 19218 2741 1 18 . 1 1 10 10 SER CB C 10 62.858 62.858 62.664 0.194 19218 2742 1 18 . 1 1 10 10 SER H H 10 8.600 8.600 8.472 0.128 19218 2743 1 18 . 1 1 11 11 ALA N N 11 125.978 125.978 124.021 1.957 19218 2744 1 18 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.073 0.051 19218 2745 1 18 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.447 -0.153 19218 2746 1 18 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.205 0.248 19218 2747 1 18 . 1 1 11 11 ALA H H 11 8.301 8.301 8.343 -0.042 19218 2748 1 18 . 1 1 12 12 PHE N N 12 116.204 116.204 115.924 0.280 19218 2749 1 18 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.427 -0.784 19218 2750 1 18 . 1 1 12 12 PHE CA C 12 60.691 60.691 60.816 -0.125 19218 2751 1 18 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.279 -1.769 19218 2752 1 18 . 1 1 12 12 PHE H H 12 7.521 7.521 7.577 -0.057 19218 2753 1 18 . 1 1 13 13 VAL N N 13 119.293 119.293 121.061 -1.768 19218 2754 1 18 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.559 -0.198 19218 2755 1 18 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.143 0.964 19218 2756 1 18 . 1 1 13 13 VAL CB C 13 31.468 31.468 30.634 0.835 19218 2757 1 18 . 1 1 13 13 VAL H H 13 7.693 7.693 7.662 0.031 19218 2758 1 18 . 1 1 14 14 THR N N 14 114.423 114.423 114.914 -0.491 19218 2759 1 18 . 1 1 14 14 THR HA H 14 3.949 3.949 3.882 0.067 19218 2760 1 18 . 1 1 14 14 THR CA C 14 66.076 66.076 66.776 -0.700 19218 2761 1 18 . 1 1 14 14 THR CB C 14 68.449 68.449 68.501 -0.052 19218 2762 1 18 . 1 1 14 14 THR H H 14 7.902 7.902 8.292 -0.390 19218 2763 1 18 . 1 1 15 15 LYS N N 15 120.738 120.738 120.746 -0.008 19218 2764 1 18 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.052 0.114 19218 2765 1 18 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.569 0.015 19218 2766 1 18 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.548 0.777 19218 2767 1 18 . 1 1 15 15 LYS H H 15 7.738 7.738 7.748 -0.010 19218 2768 1 18 . 1 1 16 16 ALA N N 16 123.499 123.499 122.141 1.358 19218 2769 1 18 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.031 -0.164 19218 2770 1 18 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.320 0.484 19218 2771 1 18 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.134 -0.785 19218 2772 1 18 . 1 1 16 16 ALA H H 16 8.597 8.597 7.873 0.724 19218 2773 1 18 . 1 1 17 17 GLU N N 17 115.381 115.381 117.937 -2.556 19218 2774 1 18 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.898 -0.242 19218 2775 1 18 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.182 0.168 19218 2776 1 18 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.140 0.073 19218 2777 1 18 . 1 1 17 17 GLU H H 17 8.033 8.033 7.882 0.151 19218 2778 1 18 . 1 1 18 18 GLU N N 18 118.231 118.231 119.490 -1.259 19218 2779 1 18 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.034 -0.177 19218 2780 1 18 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.710 0.395 19218 2781 1 18 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.429 -0.193 19218 2782 1 18 . 1 1 18 18 GLU H H 18 7.884 7.884 7.779 0.105 19218 2783 1 18 . 1 1 19 19 MET N N 19 119.064 119.064 117.702 1.362 19218 2784 1 18 . 1 1 19 19 MET HA H 19 3.893 3.893 4.039 -0.146 19218 2785 1 18 . 1 1 19 19 MET CA C 19 60.090 60.090 59.143 0.947 19218 2786 1 18 . 1 1 19 19 MET CB C 19 33.764 33.764 32.716 1.048 19218 2787 1 18 . 1 1 19 19 MET H H 19 8.384 8.384 7.650 0.734 19218 2788 1 18 . 1 1 20 20 ILE N N 20 111.356 111.356 114.150 -2.794 19218 2789 1 18 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.036 -0.214 19218 2790 1 18 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.200 0.450 19218 2791 1 18 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.141 -0.583 19218 2792 1 18 . 1 1 20 20 ILE H H 20 7.472 7.472 7.694 -0.222 19218 2793 1 18 . 1 1 21 21 LYS N N 21 119.838 119.838 120.581 -0.743 19218 2794 1 18 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.983 0.068 19218 2795 1 18 . 1 1 21 21 LYS CA C 21 57.686 57.686 58.922 -1.236 19218 2796 1 18 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.025 0.270 19218 2797 1 18 . 1 1 21 21 LYS H H 21 7.356 7.356 7.495 -0.139 19218 2798 1 18 . 1 1 22 22 SER N N 22 111.769 111.769 111.461 0.308 19218 2799 1 18 . 1 1 22 22 SER HA H 22 4.142 4.142 4.420 -0.278 19218 2800 1 18 . 1 1 22 22 SER CA C 22 59.093 59.093 59.447 -0.354 19218 2801 1 18 . 1 1 22 22 SER CB C 22 63.622 63.622 63.690 -0.068 19218 2802 1 18 . 1 1 22 22 SER H H 22 7.420 7.420 7.576 -0.156 19218 2803 1 18 . 1 1 23 23 HIS N N 23 117.400 117.400 119.060 -1.660 19218 2804 1 18 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.189 -0.107 19218 2805 1 18 . 1 1 23 23 HIS CA C 23 51.899 51.899 52.634 -0.735 19218 2806 1 18 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.471 0.009 19218 2807 1 18 . 1 1 23 23 HIS H H 23 6.849 6.849 7.723 -0.874 19218 2808 1 18 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.461 -0.390 19218 2809 1 18 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.139 0.658 19218 2810 1 18 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.165 -0.462 19218 2811 1 18 . 1 1 25 25 TYR N N 25 113.093 113.093 119.849 -6.756 19218 2812 1 18 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.898 0.100 19218 2813 1 18 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.660 -1.671 19218 2814 1 18 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.877 1.648 19218 2815 1 18 . 1 1 25 25 TYR H H 25 7.830 7.830 8.085 -0.255 19218 2816 1 18 . 1 1 26 26 PHE N N 26 127.175 127.175 121.561 5.614 19218 2817 1 18 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.876 -0.561 19218 2818 1 18 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.715 0.970 19218 2819 1 18 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.087 -0.092 19218 2820 1 18 . 1 1 26 26 PHE H H 26 9.123 9.123 8.313 0.810 19218 2821 1 18 . 1 1 27 27 GLN N N 27 128.714 128.714 123.005 5.709 19218 2822 1 18 . 1 1 27 27 GLN HA H 27 5.340 5.340 5.125 0.215 19218 2823 1 18 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.618 -1.249 19218 2824 1 18 . 1 1 27 27 GLN CB C 27 34.871 34.871 31.072 3.799 19218 2825 1 18 . 1 1 27 27 GLN H H 27 8.452 8.452 8.465 -0.013 19218 2826 1 18 . 1 1 28 28 LEU N N 28 130.057 130.057 127.929 2.128 19218 2827 1 18 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.034 -0.606 19218 2828 1 18 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.917 0.000 19218 2829 1 18 . 1 1 28 28 LEU CB C 28 42.777 42.777 41.725 1.052 19218 2830 1 18 . 1 1 28 28 LEU H H 28 8.725 8.725 8.409 0.316 19218 2831 1 18 . 1 1 29 29 SER N N 29 122.598 122.598 119.331 3.267 19218 2832 1 18 . 1 1 29 29 SER HA H 29 4.807 4.807 4.796 0.011 19218 2833 1 18 . 1 1 29 29 SER CA C 29 56.103 56.103 56.955 -0.852 19218 2834 1 18 . 1 1 29 29 SER CB C 29 68.677 68.677 66.744 1.933 19218 2835 1 18 . 1 1 29 29 SER H H 29 8.540 8.540 8.480 0.060 19218 2836 1 18 . 1 1 30 30 ALA N N 30 121.919 121.919 122.035 -0.116 19218 2837 1 18 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.606 -0.095 19218 2838 1 18 . 1 1 30 30 ALA CA C 30 51.223 51.223 50.676 0.547 19218 2839 1 18 . 1 1 30 30 ALA CB C 30 21.448 21.448 20.689 0.759 19218 2840 1 18 . 1 1 30 30 ALA H H 30 7.215 7.215 8.325 -1.110 19218 2841 1 18 . 1 1 31 31 SER N N 31 121.144 121.144 116.095 5.049 19218 2842 1 18 . 1 1 31 31 SER HA H 31 3.721 3.721 4.551 -0.830 19218 2843 1 18 . 1 1 31 31 SER CA C 31 60.666 60.666 58.327 2.339 19218 2844 1 18 . 1 1 31 31 SER CB C 31 61.979 61.979 62.599 -0.620 19218 2845 1 18 . 1 1 31 31 SER H H 31 8.979 8.979 8.615 0.364 19218 2846 1 18 . 1 1 32 32 TRP N N 32 113.811 113.811 124.121 -10.310 19218 2847 1 18 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.334 0.132 19218 2848 1 18 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.489 -3.380 19218 2849 1 18 . 1 1 32 32 TRP CB C 32 29.431 29.431 27.004 2.427 19218 2850 1 18 . 1 1 32 32 TRP H H 32 6.228 6.228 8.439 -2.211 19218 2851 1 18 . 1 1 33 33 CYS N N 33 123.310 123.310 118.942 4.368 19218 2852 1 18 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.624 0.289 19218 2853 1 18 . 1 1 33 33 CYS CA C 33 55.462 55.462 57.395 -1.933 19218 2854 1 18 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.172 -2.308 19218 2855 1 18 . 1 1 33 33 CYS H H 33 7.346 7.346 8.098 -0.752 19218 2856 1 18 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.373 -0.081 19218 2857 1 18 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.303 0.238 19218 2858 1 18 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.757 0.456 19218 2859 1 18 . 1 1 35 35 ASP N N 35 117.958 117.958 116.974 0.984 19218 2860 1 18 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.571 0.163 19218 2861 1 18 . 1 1 35 35 ASP CA C 35 57.682 57.682 56.647 1.035 19218 2862 1 18 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.946 0.440 19218 2863 1 18 . 1 1 35 35 ASP H H 35 7.757 7.757 8.532 -0.775 19218 2864 1 18 . 1 1 36 36 CYS N N 36 117.708 117.708 118.204 -0.496 19218 2865 1 18 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.207 -0.843 19218 2866 1 18 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.187 0.527 19218 2867 1 18 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.514 -0.464 19218 2868 1 18 . 1 1 36 36 CYS H H 36 7.621 7.621 8.412 -0.791 19218 2869 1 18 . 1 1 37 37 VAL N N 37 122.173 122.173 120.973 1.200 19218 2870 1 18 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.629 -0.078 19218 2871 1 18 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.421 0.044 19218 2872 1 18 . 1 1 37 37 VAL CB C 37 31.103 31.103 32.108 -1.005 19218 2873 1 18 . 1 1 37 37 VAL H H 37 7.400 7.400 7.867 -0.467 19218 2874 1 18 . 1 1 38 38 TYR N N 38 119.439 119.439 120.202 -0.763 19218 2875 1 18 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.006 0.195 19218 2876 1 18 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.916 -1.720 19218 2877 1 18 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.062 -0.933 19218 2878 1 18 . 1 1 38 38 TYR H H 38 7.782 7.782 7.348 0.434 19218 2879 1 18 . 1 1 39 39 ALA N N 39 123.137 123.137 120.239 2.898 19218 2880 1 18 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.571 -0.735 19218 2881 1 18 . 1 1 39 39 ALA CA C 39 55.290 55.290 54.772 0.519 19218 2882 1 18 . 1 1 39 39 ALA CB C 39 17.075 17.075 17.805 -0.730 19218 2883 1 18 . 1 1 39 39 ALA H H 39 7.118 7.118 7.766 -0.648 19218 2884 1 18 . 1 1 40 40 ASN N N 40 113.073 113.073 115.846 -2.773 19218 2885 1 18 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.433 0.001 19218 2886 1 18 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.113 0.140 19218 2887 1 18 . 1 1 40 40 ASN CB C 40 36.739 36.739 37.870 -1.131 19218 2888 1 18 . 1 1 40 40 ASN H H 40 7.954 7.954 7.719 0.235 19218 2889 1 18 . 1 1 41 41 SER N N 41 118.672 118.672 117.364 1.308 19218 2890 1 18 . 1 1 41 41 SER HA H 41 4.166 4.166 4.115 0.051 19218 2891 1 18 . 1 1 41 41 SER CA C 41 61.119 61.119 61.941 -0.822 19218 2892 1 18 . 1 1 41 41 SER CB C 41 62.321 62.321 63.103 -0.782 19218 2893 1 18 . 1 1 41 41 SER H H 41 8.097 8.097 7.978 0.119 19218 2894 1 18 . 1 1 42 42 ILE N N 42 126.562 126.562 120.333 6.229 19218 2895 1 18 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.835 -0.373 19218 2896 1 18 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.191 -0.875 19218 2897 1 18 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.807 -3.144 19218 2898 1 18 . 1 1 42 42 ILE H H 42 6.995 6.995 7.530 -0.535 19218 2899 1 19 . 1 1 10 10 SER N N 10 116.136 116.136 120.133 -3.997 19218 2900 1 19 . 1 1 10 10 SER HA H 10 4.238 4.238 4.225 0.013 19218 2901 1 19 . 1 1 10 10 SER CA C 10 59.536 59.536 61.009 -1.473 19218 2902 1 19 . 1 1 10 10 SER CB C 10 62.858 62.858 63.104 -0.246 19218 2903 1 19 . 1 1 10 10 SER H H 10 8.600 8.600 8.788 -0.188 19218 2904 1 19 . 1 1 11 11 ALA N N 11 125.978 125.978 123.106 2.872 19218 2905 1 19 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.085 0.039 19218 2906 1 19 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.416 -0.122 19218 2907 1 19 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.314 0.139 19218 2908 1 19 . 1 1 11 11 ALA H H 11 8.301 8.301 8.278 0.023 19218 2909 1 19 . 1 1 12 12 PHE N N 12 116.204 116.204 115.712 0.492 19218 2910 1 19 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.658 -1.015 19218 2911 1 19 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.476 1.215 19218 2912 1 19 . 1 1 12 12 PHE CB C 12 38.510 38.510 40.825 -2.315 19218 2913 1 19 . 1 1 12 12 PHE H H 12 7.521 7.521 7.812 -0.291 19218 2914 1 19 . 1 1 13 13 VAL N N 13 119.293 119.293 121.125 -1.832 19218 2915 1 19 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.545 -0.184 19218 2916 1 19 . 1 1 13 13 VAL CA C 13 67.107 67.107 67.423 -0.316 19218 2917 1 19 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.480 -0.011 19218 2918 1 19 . 1 1 13 13 VAL H H 13 7.693 7.693 8.770 -1.077 19218 2919 1 19 . 1 1 14 14 THR N N 14 114.423 114.423 116.015 -1.592 19218 2920 1 19 . 1 1 14 14 THR HA H 14 3.949 3.949 4.241 -0.292 19218 2921 1 19 . 1 1 14 14 THR CA C 14 66.076 66.076 66.091 -0.015 19218 2922 1 19 . 1 1 14 14 THR CB C 14 68.449 68.449 68.755 -0.306 19218 2923 1 19 . 1 1 14 14 THR H H 14 7.902 7.902 7.829 0.073 19218 2924 1 19 . 1 1 15 15 LYS N N 15 120.738 120.738 120.603 0.135 19218 2925 1 19 . 1 1 15 15 LYS HA H 15 4.166 4.166 4.095 0.071 19218 2926 1 19 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.820 -0.236 19218 2927 1 19 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.922 0.403 19218 2928 1 19 . 1 1 15 15 LYS H H 15 7.738 7.738 7.534 0.204 19218 2929 1 19 . 1 1 16 16 ALA N N 16 123.499 123.499 122.132 1.367 19218 2930 1 19 . 1 1 16 16 ALA HA H 16 3.867 3.867 4.191 -0.324 19218 2931 1 19 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.342 0.463 19218 2932 1 19 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.209 -0.859 19218 2933 1 19 . 1 1 16 16 ALA H H 16 8.597 8.597 8.117 0.480 19218 2934 1 19 . 1 1 17 17 GLU N N 17 115.381 115.381 118.402 -3.021 19218 2935 1 19 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.909 -0.253 19218 2936 1 19 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.553 -0.203 19218 2937 1 19 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.396 -0.184 19218 2938 1 19 . 1 1 17 17 GLU H H 17 8.033 8.033 7.874 0.159 19218 2939 1 19 . 1 1 18 18 GLU N N 18 118.231 118.231 118.554 -0.323 19218 2940 1 19 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.048 -0.191 19218 2941 1 19 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.766 0.339 19218 2942 1 19 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.505 -0.269 19218 2943 1 19 . 1 1 18 18 GLU H H 18 7.884 7.884 7.533 0.351 19218 2944 1 19 . 1 1 19 19 MET N N 19 119.064 119.064 119.006 0.058 19218 2945 1 19 . 1 1 19 19 MET HA H 19 3.893 3.893 4.198 -0.305 19218 2946 1 19 . 1 1 19 19 MET CA C 19 60.090 60.090 57.917 2.173 19218 2947 1 19 . 1 1 19 19 MET CB C 19 33.764 33.764 32.833 0.931 19218 2948 1 19 . 1 1 19 19 MET H H 19 8.384 8.384 7.542 0.842 19218 2949 1 19 . 1 1 20 20 ILE N N 20 111.356 111.356 114.118 -2.762 19218 2950 1 19 . 1 1 20 20 ILE HA H 20 3.822 3.822 3.882 -0.060 19218 2951 1 19 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.066 0.584 19218 2952 1 19 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.269 -0.711 19218 2953 1 19 . 1 1 20 20 ILE H H 20 7.472 7.472 7.864 -0.392 19218 2954 1 19 . 1 1 21 21 LYS N N 21 119.838 119.838 119.813 0.025 19218 2955 1 19 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.977 0.074 19218 2956 1 19 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.050 -1.363 19218 2957 1 19 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.251 0.044 19218 2958 1 19 . 1 1 21 21 LYS H H 21 7.356 7.356 7.547 -0.191 19218 2959 1 19 . 1 1 22 22 SER N N 22 111.769 111.769 111.290 0.479 19218 2960 1 19 . 1 1 22 22 SER HA H 22 4.142 4.142 4.346 -0.204 19218 2961 1 19 . 1 1 22 22 SER CA C 22 59.093 59.093 59.360 -0.267 19218 2962 1 19 . 1 1 22 22 SER CB C 22 63.622 63.622 63.697 -0.075 19218 2963 1 19 . 1 1 22 22 SER H H 22 7.420 7.420 7.559 -0.139 19218 2964 1 19 . 1 1 23 23 HIS N N 23 117.400 117.400 118.785 -1.385 19218 2965 1 19 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.702 0.380 19218 2966 1 19 . 1 1 23 23 HIS CA C 23 51.899 51.899 52.325 -0.427 19218 2967 1 19 . 1 1 23 23 HIS CB C 23 29.480 29.480 28.828 0.652 19218 2968 1 19 . 1 1 23 23 HIS H H 23 6.849 6.849 7.613 -0.764 19218 2969 1 19 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.366 -0.295 19218 2970 1 19 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.141 0.656 19218 2971 1 19 . 1 1 24 24 PRO CB C 24 31.703 31.703 31.937 -0.234 19218 2972 1 19 . 1 1 25 25 TYR N N 25 113.093 113.093 119.453 -6.360 19218 2973 1 19 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.857 0.141 19218 2974 1 19 . 1 1 25 25 TYR CA C 25 55.989 55.989 56.691 -0.702 19218 2975 1 19 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.628 1.897 19218 2976 1 19 . 1 1 25 25 TYR H H 25 7.830 7.830 8.130 -0.300 19218 2977 1 19 . 1 1 26 26 PHE N N 26 127.175 127.175 121.073 6.102 19218 2978 1 19 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.737 -0.422 19218 2979 1 19 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.303 1.382 19218 2980 1 19 . 1 1 26 26 PHE CB C 26 42.995 42.995 42.960 0.035 19218 2981 1 19 . 1 1 26 26 PHE H H 26 9.123 9.123 8.245 0.878 19218 2982 1 19 . 1 1 27 27 GLN N N 27 128.714 128.714 122.172 6.542 19218 2983 1 19 . 1 1 27 27 GLN HA H 27 5.340 5.340 5.198 0.142 19218 2984 1 19 . 1 1 27 27 GLN CA C 27 53.369 53.369 55.056 -1.687 19218 2985 1 19 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.009 2.862 19218 2986 1 19 . 1 1 27 27 GLN H H 27 8.452 8.452 8.469 -0.017 19218 2987 1 19 . 1 1 28 28 LEU N N 28 130.057 130.057 128.492 1.565 19218 2988 1 19 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.798 -0.370 19218 2989 1 19 . 1 1 28 28 LEU CA C 28 54.917 54.917 55.532 -0.615 19218 2990 1 19 . 1 1 28 28 LEU CB C 28 42.777 42.777 41.828 0.949 19218 2991 1 19 . 1 1 28 28 LEU H H 28 8.725 8.725 8.586 0.139 19218 2992 1 19 . 1 1 29 29 SER N N 29 122.598 122.598 117.938 4.660 19218 2993 1 19 . 1 1 29 29 SER HA H 29 4.807 4.807 4.860 -0.053 19218 2994 1 19 . 1 1 29 29 SER CA C 29 56.103 56.103 56.927 -0.824 19218 2995 1 19 . 1 1 29 29 SER CB C 29 68.677 68.677 66.606 2.071 19218 2996 1 19 . 1 1 29 29 SER H H 29 8.540 8.540 8.878 -0.338 19218 2997 1 19 . 1 1 30 30 ALA N N 30 121.919 121.919 121.385 0.534 19218 2998 1 19 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.728 -0.217 19218 2999 1 19 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.682 -0.459 19218 3000 1 19 . 1 1 30 30 ALA CB C 30 21.448 21.448 21.114 0.334 19218 3001 1 19 . 1 1 30 30 ALA H H 30 7.215 7.215 8.350 -1.135 19218 3002 1 19 . 1 1 31 31 SER N N 31 121.144 121.144 114.921 6.223 19218 3003 1 19 . 1 1 31 31 SER HA H 31 3.721 3.721 4.705 -0.984 19218 3004 1 19 . 1 1 31 31 SER CA C 31 60.666 60.666 58.416 2.250 19218 3005 1 19 . 1 1 31 31 SER CB C 31 61.979 61.979 63.449 -1.470 19218 3006 1 19 . 1 1 31 31 SER H H 31 8.979 8.979 8.619 0.360 19218 3007 1 19 . 1 1 32 32 TRP N N 32 113.811 113.811 120.072 -6.261 19218 3008 1 19 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.788 -0.322 19218 3009 1 19 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.694 -3.583 19218 3010 1 19 . 1 1 32 32 TRP CB C 32 29.431 29.431 30.184 -0.753 19218 3011 1 19 . 1 1 32 32 TRP H H 32 6.228 6.228 7.952 -1.724 19218 3012 1 19 . 1 1 33 33 CYS N N 33 123.310 123.310 120.882 2.428 19218 3013 1 19 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.559 0.354 19218 3014 1 19 . 1 1 33 33 CYS CA C 33 55.462 55.462 57.856 -2.394 19218 3015 1 19 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.519 -2.655 19218 3016 1 19 . 1 1 33 33 CYS H H 33 7.346 7.346 8.410 -1.064 19218 3017 1 19 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.353 -0.061 19218 3018 1 19 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.190 0.351 19218 3019 1 19 . 1 1 34 34 PRO CB C 34 32.213 32.213 32.005 0.208 19218 3020 1 19 . 1 1 35 35 ASP N N 35 117.958 117.958 118.975 -1.017 19218 3021 1 19 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.539 0.195 19218 3022 1 19 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.574 0.108 19218 3023 1 19 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.278 1.108 19218 3024 1 19 . 1 1 35 35 ASP H H 35 7.757 7.757 9.007 -1.250 19218 3025 1 19 . 1 1 36 36 CYS N N 36 117.708 117.708 118.159 -0.451 19218 3026 1 19 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.236 -0.872 19218 3027 1 19 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.703 0.011 19218 3028 1 19 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.357 -0.307 19218 3029 1 19 . 1 1 36 36 CYS H H 36 7.621 7.621 8.261 -0.640 19218 3030 1 19 . 1 1 37 37 VAL N N 37 122.173 122.173 119.697 2.476 19218 3031 1 19 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.709 -0.158 19218 3032 1 19 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.967 -0.502 19218 3033 1 19 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.261 -0.158 19218 3034 1 19 . 1 1 37 37 VAL H H 37 7.400 7.400 7.496 -0.096 19218 3035 1 19 . 1 1 38 38 TYR N N 38 119.439 119.439 121.415 -1.976 19218 3036 1 19 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.270 -0.069 19218 3037 1 19 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.214 -1.018 19218 3038 1 19 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.481 -1.352 19218 3039 1 19 . 1 1 38 38 TYR H H 38 7.782 7.782 7.524 0.258 19218 3040 1 19 . 1 1 39 39 ALA N N 39 123.137 123.137 121.824 1.313 19218 3041 1 19 . 1 1 39 39 ALA HA H 39 2.836 2.836 4.030 -1.194 19218 3042 1 19 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.343 -0.053 19218 3043 1 19 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.382 -1.307 19218 3044 1 19 . 1 1 39 39 ALA H H 39 7.118 7.118 8.217 -1.099 19218 3045 1 19 . 1 1 40 40 ASN N N 40 113.073 113.073 116.189 -3.116 19218 3046 1 19 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.576 -0.142 19218 3047 1 19 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.053 0.199 19218 3048 1 19 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.400 -1.661 19218 3049 1 19 . 1 1 40 40 ASN H H 40 7.954 7.954 8.215 -0.261 19218 3050 1 19 . 1 1 41 41 SER N N 41 118.672 118.672 117.408 1.264 19218 3051 1 19 . 1 1 41 41 SER HA H 41 4.166 4.166 4.210 -0.044 19218 3052 1 19 . 1 1 41 41 SER CA C 41 61.119 61.119 61.697 -0.578 19218 3053 1 19 . 1 1 41 41 SER CB C 41 62.321 62.321 62.958 -0.637 19218 3054 1 19 . 1 1 41 41 SER H H 41 8.097 8.097 7.922 0.175 19218 3055 1 19 . 1 1 42 42 ILE N N 42 126.562 126.562 121.929 4.633 19218 3056 1 19 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.752 -0.290 19218 3057 1 19 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.409 -1.093 19218 3058 1 19 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.730 -3.067 19218 3059 1 19 . 1 1 42 42 ILE H H 42 6.995 6.995 7.305 -0.310 19218 3060 1 20 . 1 1 10 10 SER N N 10 116.136 116.136 114.502 1.634 19218 3061 1 20 . 1 1 10 10 SER HA H 10 4.238 4.238 4.255 -0.017 19218 3062 1 20 . 1 1 10 10 SER CA C 10 59.536 59.536 58.340 1.196 19218 3063 1 20 . 1 1 10 10 SER CB C 10 62.858 62.858 63.230 -0.372 19218 3064 1 20 . 1 1 10 10 SER H H 10 8.600 8.600 8.453 0.147 19218 3065 1 20 . 1 1 11 11 ALA N N 11 125.978 125.978 122.500 3.478 19218 3066 1 20 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.283 -0.159 19218 3067 1 20 . 1 1 11 11 ALA CA C 11 54.294 54.294 53.806 0.488 19218 3068 1 20 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.901 -0.448 19218 3069 1 20 . 1 1 11 11 ALA H H 11 8.301 8.301 8.098 0.203 19218 3070 1 20 . 1 1 12 12 PHE N N 12 116.204 116.204 119.123 -2.919 19218 3071 1 20 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.608 -0.965 19218 3072 1 20 . 1 1 12 12 PHE CA C 12 60.691 60.691 58.541 2.150 19218 3073 1 20 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.361 -0.851 19218 3074 1 20 . 1 1 12 12 PHE H H 12 7.521 7.521 7.958 -0.437 19218 3075 1 20 . 1 1 13 13 VAL N N 13 119.293 119.293 118.392 0.901 19218 3076 1 20 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.402 -0.041 19218 3077 1 20 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.360 0.747 19218 3078 1 20 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.549 -0.081 19218 3079 1 20 . 1 1 13 13 VAL H H 13 7.693 7.693 8.073 -0.380 19218 3080 1 20 . 1 1 14 14 THR N N 14 114.423 114.423 113.492 0.931 19218 3081 1 20 . 1 1 14 14 THR HA H 14 3.949 3.949 3.897 0.052 19218 3082 1 20 . 1 1 14 14 THR CA C 14 66.076 66.076 65.815 0.261 19218 3083 1 20 . 1 1 14 14 THR CB C 14 68.449 68.449 68.679 -0.230 19218 3084 1 20 . 1 1 14 14 THR H H 14 7.902 7.902 7.539 0.363 19218 3085 1 20 . 1 1 15 15 LYS N N 15 120.738 120.738 120.294 0.444 19218 3086 1 20 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.897 0.269 19218 3087 1 20 . 1 1 15 15 LYS CA C 15 58.584 58.584 58.794 -0.210 19218 3088 1 20 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.419 0.906 19218 3089 1 20 . 1 1 15 15 LYS H H 15 7.738 7.738 7.867 -0.129 19218 3090 1 20 . 1 1 16 16 ALA N N 16 123.499 123.499 121.506 1.993 19218 3091 1 20 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.766 0.101 19218 3092 1 20 . 1 1 16 16 ALA CA C 16 55.804 55.804 54.792 1.012 19218 3093 1 20 . 1 1 16 16 ALA CB C 16 17.349 17.349 17.631 -0.282 19218 3094 1 20 . 1 1 16 16 ALA H H 16 8.597 8.597 7.340 1.257 19218 3095 1 20 . 1 1 17 17 GLU N N 17 115.381 115.381 118.331 -2.950 19218 3096 1 20 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.848 -0.192 19218 3097 1 20 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.537 -0.187 19218 3098 1 20 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.445 -0.233 19218 3099 1 20 . 1 1 17 17 GLU H H 17 8.033 8.033 7.453 0.580 19218 3100 1 20 . 1 1 18 18 GLU N N 18 118.231 118.231 118.732 -0.501 19218 3101 1 20 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.015 -0.158 19218 3102 1 20 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.647 0.458 19218 3103 1 20 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.230 0.006 19218 3104 1 20 . 1 1 18 18 GLU H H 18 7.884 7.884 7.677 0.207 19218 3105 1 20 . 1 1 19 19 MET N N 19 119.064 119.064 117.599 1.465 19218 3106 1 20 . 1 1 19 19 MET HA H 19 3.893 3.893 4.083 -0.190 19218 3107 1 20 . 1 1 19 19 MET CA C 19 60.090 60.090 57.234 2.856 19218 3108 1 20 . 1 1 19 19 MET CB C 19 33.764 33.764 32.234 1.530 19218 3109 1 20 . 1 1 19 19 MET H H 19 8.384 8.384 7.307 1.077 19218 3110 1 20 . 1 1 20 20 ILE N N 20 111.356 111.356 114.374 -3.018 19218 3111 1 20 . 1 1 20 20 ILE HA H 20 3.822 3.822 3.986 -0.164 19218 3112 1 20 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.158 0.492 19218 3113 1 20 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.022 -0.464 19218 3114 1 20 . 1 1 20 20 ILE H H 20 7.472 7.472 7.652 -0.180 19218 3115 1 20 . 1 1 21 21 LYS N N 21 119.838 119.838 120.657 -0.819 19218 3116 1 20 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.889 0.162 19218 3117 1 20 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.643 -1.957 19218 3118 1 20 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.075 0.220 19218 3119 1 20 . 1 1 21 21 LYS H H 21 7.356 7.356 7.388 -0.032 19218 3120 1 20 . 1 1 22 22 SER N N 22 111.769 111.769 111.748 0.021 19218 3121 1 20 . 1 1 22 22 SER HA H 22 4.142 4.142 4.348 -0.206 19218 3122 1 20 . 1 1 22 22 SER CA C 22 59.093 59.093 59.149 -0.056 19218 3123 1 20 . 1 1 22 22 SER CB C 22 63.622 63.622 63.774 -0.152 19218 3124 1 20 . 1 1 22 22 SER H H 22 7.420 7.420 7.598 -0.178 19218 3125 1 20 . 1 1 23 23 HIS N N 23 117.400 117.400 119.184 -1.784 19218 3126 1 20 . 1 1 23 23 HIS HA H 23 5.082 5.082 5.062 0.020 19218 3127 1 20 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.209 -1.310 19218 3128 1 20 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.906 -0.426 19218 3129 1 20 . 1 1 23 23 HIS H H 23 6.849 6.849 7.758 -0.909 19218 3130 1 20 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.451 -0.380 19218 3131 1 20 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.140 0.657 19218 3132 1 20 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.161 -0.458 19218 3133 1 20 . 1 1 25 25 TYR N N 25 113.093 113.093 120.049 -6.956 19218 3134 1 20 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.809 0.189 19218 3135 1 20 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.914 -1.925 19218 3136 1 20 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.836 1.689 19218 3137 1 20 . 1 1 25 25 TYR H H 25 7.830 7.830 8.117 -0.286 19218 3138 1 20 . 1 1 26 26 PHE N N 26 127.175 127.175 121.822 5.353 19218 3139 1 20 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.826 -0.511 19218 3140 1 20 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.213 1.472 19218 3141 1 20 . 1 1 26 26 PHE CB C 26 42.995 42.995 42.826 0.169 19218 3142 1 20 . 1 1 26 26 PHE H H 26 9.123 9.123 8.314 0.809 19218 3143 1 20 . 1 1 27 27 GLN N N 27 128.714 128.714 123.271 5.443 19218 3144 1 20 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.816 0.524 19218 3145 1 20 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.614 -1.246 19218 3146 1 20 . 1 1 27 27 GLN CB C 27 34.871 34.871 30.303 4.568 19218 3147 1 20 . 1 1 27 27 GLN H H 27 8.452 8.452 8.496 -0.044 19218 3148 1 20 . 1 1 28 28 LEU N N 28 130.057 130.057 128.814 1.243 19218 3149 1 20 . 1 1 28 28 LEU HA H 28 4.428 4.428 4.758 -0.330 19218 3150 1 20 . 1 1 28 28 LEU CA C 28 54.917 54.917 55.618 -0.701 19218 3151 1 20 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.031 0.746 19218 3152 1 20 . 1 1 28 28 LEU H H 28 8.725 8.725 8.487 0.238 19218 3153 1 20 . 1 1 29 29 SER N N 29 122.598 122.598 117.569 5.029 19218 3154 1 20 . 1 1 29 29 SER HA H 29 4.807 4.807 4.919 -0.112 19218 3155 1 20 . 1 1 29 29 SER CA C 29 56.103 56.103 57.219 -1.117 19218 3156 1 20 . 1 1 29 29 SER CB C 29 68.677 68.677 66.097 2.579 19218 3157 1 20 . 1 1 29 29 SER H H 29 8.540 8.540 8.112 0.428 19218 3158 1 20 . 1 1 30 30 ALA N N 30 121.919 121.919 122.561 -0.642 19218 3159 1 20 . 1 1 30 30 ALA HA H 30 4.511 4.511 5.037 -0.526 19218 3160 1 20 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.461 -0.237 19218 3161 1 20 . 1 1 30 30 ALA CB C 30 21.448 21.448 22.116 -0.668 19218 3162 1 20 . 1 1 30 30 ALA H H 30 7.215 7.215 8.431 -1.216 19218 3163 1 20 . 1 1 31 31 SER N N 31 121.144 121.144 114.680 6.464 19218 3164 1 20 . 1 1 31 31 SER HA H 31 3.721 3.721 4.626 -0.905 19218 3165 1 20 . 1 1 31 31 SER CA C 31 60.666 60.666 58.843 1.823 19218 3166 1 20 . 1 1 31 31 SER CB C 31 61.979 61.979 62.925 -0.946 19218 3167 1 20 . 1 1 31 31 SER H H 31 8.979 8.979 8.715 0.264 19218 3168 1 20 . 1 1 32 32 TRP N N 32 113.811 113.811 122.091 -8.280 19218 3169 1 20 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.791 -0.325 19218 3170 1 20 . 1 1 32 32 TRP CA C 32 54.110 54.110 58.020 -3.910 19218 3171 1 20 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.899 -0.468 19218 3172 1 20 . 1 1 32 32 TRP H H 32 6.228 6.228 7.965 -1.737 19218 3173 1 20 . 1 1 33 33 CYS N N 33 123.310 123.310 120.231 3.079 19218 3174 1 20 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.901 0.012 19218 3175 1 20 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.023 -0.560 19218 3176 1 20 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.671 -2.807 19218 3177 1 20 . 1 1 33 33 CYS H H 33 7.346 7.346 8.174 -0.828 19218 3178 1 20 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.323 -0.031 19218 3179 1 20 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.035 0.506 19218 3180 1 20 . 1 1 34 34 PRO CB C 34 32.213 32.213 32.083 0.130 19218 3181 1 20 . 1 1 35 35 ASP N N 35 117.958 117.958 118.144 -0.186 19218 3182 1 20 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.360 0.374 19218 3183 1 20 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.848 -0.166 19218 3184 1 20 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.469 0.917 19218 3185 1 20 . 1 1 35 35 ASP H H 35 7.757 7.757 8.859 -1.102 19218 3186 1 20 . 1 1 36 36 CYS N N 36 117.708 117.708 116.689 1.019 19218 3187 1 20 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.199 -0.835 19218 3188 1 20 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.837 -0.124 19218 3189 1 20 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.199 -0.149 19218 3190 1 20 . 1 1 36 36 CYS H H 36 7.621 7.621 8.495 -0.874 19218 3191 1 20 . 1 1 37 37 VAL N N 37 122.173 122.173 120.070 2.103 19218 3192 1 20 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.651 -0.100 19218 3193 1 20 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.644 -0.179 19218 3194 1 20 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.439 -0.336 19218 3195 1 20 . 1 1 37 37 VAL H H 37 7.400 7.400 7.595 -0.195 19218 3196 1 20 . 1 1 38 38 TYR N N 38 119.439 119.439 121.156 -1.717 19218 3197 1 20 . 1 1 38 38 TYR HA H 38 4.201 4.201 3.884 0.317 19218 3198 1 20 . 1 1 38 38 TYR CA C 38 60.196 60.196 62.105 -1.909 19218 3199 1 20 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.318 -1.189 19218 3200 1 20 . 1 1 38 38 TYR H H 38 7.782 7.782 7.528 0.254 19218 3201 1 20 . 1 1 39 39 ALA N N 39 123.137 123.137 120.060 3.077 19218 3202 1 20 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.547 -0.711 19218 3203 1 20 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.043 0.247 19218 3204 1 20 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.113 -1.038 19218 3205 1 20 . 1 1 39 39 ALA H H 39 7.118 7.118 8.658 -1.540 19218 3206 1 20 . 1 1 40 40 ASN N N 40 113.073 113.073 115.621 -2.548 19218 3207 1 20 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.438 -0.004 19218 3208 1 20 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.952 -0.699 19218 3209 1 20 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.400 -1.661 19218 3210 1 20 . 1 1 40 40 ASN H H 40 7.954 7.954 7.908 0.046 19218 3211 1 20 . 1 1 41 41 SER N N 41 118.672 118.672 117.238 1.434 19218 3212 1 20 . 1 1 41 41 SER HA H 41 4.166 4.166 4.022 0.144 19218 3213 1 20 . 1 1 41 41 SER CA C 41 61.119 61.119 61.757 -0.638 19218 3214 1 20 . 1 1 41 41 SER CB C 41 62.321 62.321 62.867 -0.546 19218 3215 1 20 . 1 1 41 41 SER H H 41 8.097 8.097 7.949 0.148 19218 3216 1 20 . 1 1 42 42 ILE N N 42 126.562 126.562 120.650 5.912 19218 3217 1 20 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.607 -0.145 19218 3218 1 20 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.039 -0.723 19218 3219 1 20 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.420 -2.757 19218 3220 1 20 . 1 1 42 42 ILE H H 42 6.995 6.995 7.003 -0.008 19218 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 31 3.346 -0.413 3.375 19218 2 1 1 "Average Difference" HA 33 0.360 0.152 0.331 19218 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19218 4 1 1 "Average Difference" CA 33 1.080 0.135 1.088 19218 5 1 1 "Average Difference" CB 33 1.457 0.061 1.478 19218 6 1 1 "Average Difference" HN 31 0.625 0.166 0.613 19218 7 1 2 "Average Difference" N 31 3.274 -0.256 3.318 19218 8 1 2 "Average Difference" HA 33 0.401 0.176 0.366 19218 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19218 10 1 2 "Average Difference" CA 33 1.182 0.187 1.185 19218 11 1 2 "Average Difference" CB 33 1.069 0.021 1.086 19218 12 1 2 "Average Difference" HN 31 0.659 0.186 0.643 19218 13 1 3 "Average Difference" N 31 2.941 0.155 2.985 19218 14 1 3 "Average Difference" HA 33 0.409 0.203 0.360 19218 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19218 16 1 3 "Average Difference" CA 33 1.020 0.293 0.992 19218 17 1 3 "Average Difference" CB 33 1.350 0.129 1.365 19218 18 1 3 "Average Difference" HN 31 0.671 0.268 0.626 19218 19 1 4 "Average Difference" N 31 3.489 -0.719 3.471 19218 20 1 4 "Average Difference" HA 33 0.402 0.169 0.371 19218 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19218 22 1 4 "Average Difference" CA 33 1.226 0.190 1.230 19218 23 1 4 "Average Difference" CB 33 1.110 0.103 1.123 19218 24 1 4 "Average Difference" HN 31 0.664 0.029 0.674 19218 25 1 5 "Average Difference" N 31 3.334 -0.074 3.388 19218 26 1 5 "Average Difference" HA 33 0.361 0.163 0.327 19218 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19218 28 1 5 "Average Difference" CA 33 1.228 0.216 1.227 19218 29 1 5 "Average Difference" CB 33 1.258 0.025 1.277 19218 30 1 5 "Average Difference" HN 31 0.653 0.111 0.655 19218 31 1 6 "Average Difference" N 31 3.077 -0.206 3.120 19218 32 1 6 "Average Difference" HA 33 0.428 0.186 0.391 19218 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19218 34 1 6 "Average Difference" CA 33 1.322 -0.053 1.342 19218 35 1 6 "Average Difference" CB 33 1.540 0.234 1.546 19218 36 1 6 "Average Difference" HN 31 0.647 0.171 0.635 19218 37 1 7 "Average Difference" N 31 3.361 -0.298 3.403 19218 38 1 7 "Average Difference" HA 33 0.391 0.154 0.365 19218 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19218 40 1 7 "Average Difference" CA 33 1.282 0.399 1.237 19218 41 1 7 "Average Difference" CB 33 1.238 0.215 1.239 19218 42 1 7 "Average Difference" HN 31 0.629 0.240 0.591 19218 43 1 8 "Average Difference" N 31 3.335 -0.248 3.381 19218 44 1 8 "Average Difference" HA 33 0.398 0.173 0.364 19218 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19218 46 1 8 "Average Difference" CA 33 1.182 0.296 1.162 19218 47 1 8 "Average Difference" CB 33 1.435 0.387 1.403 19218 48 1 8 "Average Difference" HN 31 0.642 0.134 0.638 19218 49 1 9 "Average Difference" N 31 3.158 0.037 3.210 19218 50 1 9 "Average Difference" HA 33 0.413 0.191 0.371 19218 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19218 52 1 9 "Average Difference" CA 33 1.187 0.328 1.159 19218 53 1 9 "Average Difference" CB 33 1.226 0.012 1.245 19218 54 1 9 "Average Difference" HN 31 0.614 0.238 0.575 19218 55 1 10 "Average Difference" N 31 3.248 -0.090 3.301 19218 56 1 10 "Average Difference" HA 33 0.433 0.166 0.406 19218 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19218 58 1 10 "Average Difference" CA 33 1.239 0.323 1.215 19218 59 1 10 "Average Difference" CB 33 1.308 0.347 1.280 19218 60 1 10 "Average Difference" HN 31 0.664 0.139 0.660 19218 61 1 11 "Average Difference" N 31 2.908 0.016 2.956 19218 62 1 11 "Average Difference" HA 33 0.355 0.147 0.328 19218 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19218 64 1 11 "Average Difference" CA 33 1.150 0.318 1.122 19218 65 1 11 "Average Difference" CB 33 1.285 0.121 1.300 19218 66 1 11 "Average Difference" HN 31 0.610 0.182 0.592 19218 67 1 12 "Average Difference" N 31 3.707 -0.213 3.762 19218 68 1 12 "Average Difference" HA 33 0.388 0.199 0.338 19218 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19218 70 1 12 "Average Difference" CA 33 1.169 0.107 1.182 19218 71 1 12 "Average Difference" CB 33 1.211 0.192 1.215 19218 72 1 12 "Average Difference" HN 31 0.701 0.173 0.691 19218 73 1 13 "Average Difference" N 31 3.178 -0.135 3.227 19218 74 1 13 "Average Difference" HA 33 0.360 0.160 0.327 19218 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19218 76 1 13 "Average Difference" CA 33 0.945 0.252 0.925 19218 77 1 13 "Average Difference" CB 33 1.380 0.258 1.377 19218 78 1 13 "Average Difference" HN 31 0.571 0.075 0.576 19218 79 1 14 "Average Difference" N 31 3.043 -0.127 3.091 19218 80 1 14 "Average Difference" HA 33 0.396 0.165 0.365 19218 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19218 82 1 14 "Average Difference" CA 33 1.059 0.248 1.046 19218 83 1 14 "Average Difference" CB 33 1.493 0.112 1.512 19218 84 1 14 "Average Difference" HN 31 0.657 0.162 0.648 19218 85 1 15 "Average Difference" N 31 3.159 -0.047 3.211 19218 86 1 15 "Average Difference" HA 33 0.489 0.148 0.474 19218 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19218 88 1 15 "Average Difference" CA 33 1.202 0.226 1.199 19218 89 1 15 "Average Difference" CB 33 1.238 0.026 1.257 19218 90 1 15 "Average Difference" HN 31 0.643 0.203 0.620 19218 91 1 16 "Average Difference" N 31 3.570 -0.094 3.628 19218 92 1 16 "Average Difference" HA 33 0.429 0.171 0.399 19218 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19218 94 1 16 "Average Difference" CA 33 1.164 0.219 1.161 19218 95 1 16 "Average Difference" CB 33 1.386 0.193 1.393 19218 96 1 16 "Average Difference" HN 31 0.739 0.232 0.713 19218 97 1 17 "Average Difference" N 31 3.090 -0.156 3.137 19218 98 1 17 "Average Difference" HA 33 0.388 0.143 0.366 19218 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19218 100 1 17 "Average Difference" CA 33 1.192 0.232 1.187 19218 101 1 17 "Average Difference" CB 33 1.285 0.043 1.304 19218 102 1 17 "Average Difference" HN 31 0.654 0.117 0.654 19218 103 1 18 "Average Difference" N 31 3.454 -0.309 3.497 19218 104 1 18 "Average Difference" HA 33 0.353 0.165 0.317 19218 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19218 106 1 18 "Average Difference" CA 33 1.087 0.180 1.088 19218 107 1 18 "Average Difference" CB 33 1.302 -0.026 1.321 19218 108 1 18 "Average Difference" HN 31 0.627 0.169 0.614 19218 109 1 19 "Average Difference" N 31 3.242 -0.293 3.282 19218 110 1 19 "Average Difference" HA 33 0.416 0.210 0.365 19218 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19218 112 1 19 "Average Difference" CA 33 1.167 0.248 1.158 19218 113 1 19 "Average Difference" CB 33 1.264 0.210 1.266 19218 114 1 19 "Average Difference" HN 31 0.652 0.237 0.618 19218 115 1 20 "Average Difference" N 31 3.447 -0.603 3.450 19218 116 1 20 "Average Difference" HA 33 0.380 0.147 0.356 19218 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19218 118 1 20 "Average Difference" CA 33 1.305 0.106 1.321 19218 119 1 20 "Average Difference" CB 33 1.344 0.094 1.362 19218 120 1 20 "Average Difference" HN 31 0.702 0.131 0.701 19218 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 19218 _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 10 10 SER N N 10 116.136 116.136 116.933 -0.797 19218 2 1 . 1 1 10 10 SER HA H 10 4.238 4.238 4.253 -0.015 19218 3 1 . 1 1 10 10 SER CA C 10 59.536 59.536 60.106 -0.570 19218 4 1 . 1 1 10 10 SER CB C 10 62.858 62.858 62.939 -0.081 19218 5 1 . 1 1 10 10 SER H H 10 8.600 8.600 8.502 0.098 19218 6 1 . 1 1 11 11 ALA N N 11 125.978 125.978 123.769 2.209 19218 7 1 . 1 1 11 11 ALA HA H 11 4.124 4.124 4.140 -0.016 19218 8 1 . 1 1 11 11 ALA CA C 11 54.294 54.294 54.457 -0.163 19218 9 1 . 1 1 11 11 ALA CB C 11 18.453 18.453 18.457 -0.004 19218 10 1 . 1 1 11 11 ALA H H 11 8.301 8.301 8.296 0.004 19218 11 1 . 1 1 12 12 PHE N N 12 116.204 116.204 117.060 -0.856 19218 12 1 . 1 1 12 12 PHE HA H 12 3.643 3.643 4.471 -0.828 19218 13 1 . 1 1 12 12 PHE CA C 12 60.691 60.691 59.983 0.708 19218 14 1 . 1 1 12 12 PHE CB C 12 38.510 38.510 39.971 -1.461 19218 15 1 . 1 1 12 12 PHE H H 12 7.521 7.521 7.845 -0.324 19218 16 1 . 1 1 13 13 VAL N N 13 119.293 119.293 120.448 -1.155 19218 17 1 . 1 1 13 13 VAL HA H 13 3.361 3.361 3.562 -0.202 19218 18 1 . 1 1 13 13 VAL CA C 13 67.107 67.107 66.848 0.259 19218 19 1 . 1 1 13 13 VAL CB C 13 31.468 31.468 31.247 0.221 19218 20 1 . 1 1 13 13 VAL H H 13 7.693 7.693 8.101 -0.408 19218 21 1 . 1 1 14 14 THR N N 14 114.423 114.423 115.349 -0.926 19218 22 1 . 1 1 14 14 THR HA H 14 3.949 3.949 3.976 -0.027 19218 23 1 . 1 1 14 14 THR CA C 14 66.076 66.076 66.683 -0.607 19218 24 1 . 1 1 14 14 THR CB C 14 68.449 68.449 68.448 0.001 19218 25 1 . 1 1 14 14 THR H H 14 7.902 7.902 8.184 -0.282 19218 26 1 . 1 1 15 15 LYS N N 15 120.738 120.738 121.015 -0.277 19218 27 1 . 1 1 15 15 LYS HA H 15 4.166 4.166 3.986 0.180 19218 28 1 . 1 1 15 15 LYS CA C 15 58.584 58.584 59.135 -0.551 19218 29 1 . 1 1 15 15 LYS CB C 15 32.325 32.325 31.904 0.421 19218 30 1 . 1 1 15 15 LYS H H 15 7.738 7.738 7.706 0.032 19218 31 1 . 1 1 16 16 ALA N N 16 123.499 123.499 121.876 1.623 19218 32 1 . 1 1 16 16 ALA HA H 16 3.867 3.867 3.995 -0.128 19218 33 1 . 1 1 16 16 ALA CA C 16 55.804 55.804 55.085 0.719 19218 34 1 . 1 1 16 16 ALA CB C 16 17.349 17.349 18.040 -0.691 19218 35 1 . 1 1 16 16 ALA H H 16 8.597 8.597 7.817 0.780 19218 36 1 . 1 1 17 17 GLU N N 17 115.381 115.381 118.170 -2.789 19218 37 1 . 1 1 17 17 GLU HA H 17 3.656 3.656 3.927 -0.271 19218 38 1 . 1 1 17 17 GLU CA C 17 59.350 59.350 59.412 -0.062 19218 39 1 . 1 1 17 17 GLU CB C 17 29.212 29.212 29.401 -0.189 19218 40 1 . 1 1 17 17 GLU H H 17 8.033 8.033 7.796 0.237 19218 41 1 . 1 1 18 18 GLU N N 18 118.231 118.231 119.094 -0.863 19218 42 1 . 1 1 18 18 GLU HA H 18 3.857 3.857 4.048 -0.191 19218 43 1 . 1 1 18 18 GLU CA C 18 59.105 59.105 58.765 0.340 19218 44 1 . 1 1 18 18 GLU CB C 18 29.236 29.236 29.353 -0.117 19218 45 1 . 1 1 18 18 GLU H H 18 7.884 7.884 7.778 0.106 19218 46 1 . 1 1 19 19 MET N N 19 119.064 119.064 118.152 0.912 19218 47 1 . 1 1 19 19 MET HA H 19 3.893 3.893 4.107 -0.214 19218 48 1 . 1 1 19 19 MET CA C 19 60.090 60.090 58.633 1.457 19218 49 1 . 1 1 19 19 MET CB C 19 33.764 33.764 32.644 1.120 19218 50 1 . 1 1 19 19 MET H H 19 8.384 8.384 7.520 0.864 19218 51 1 . 1 1 20 20 ILE N N 20 111.356 111.356 114.582 -3.226 19218 52 1 . 1 1 20 20 ILE HA H 20 3.822 3.822 4.101 -0.279 19218 53 1 . 1 1 20 20 ILE CA C 20 63.650 63.650 63.289 0.361 19218 54 1 . 1 1 20 20 ILE CB C 20 36.558 36.558 37.237 -0.679 19218 55 1 . 1 1 20 20 ILE H H 20 7.472 7.472 7.663 -0.191 19218 56 1 . 1 1 21 21 LYS N N 21 119.838 119.838 120.789 -0.951 19218 57 1 . 1 1 21 21 LYS HA H 21 4.051 4.051 3.978 0.073 19218 58 1 . 1 1 21 21 LYS CA C 21 57.686 57.686 59.345 -1.659 19218 59 1 . 1 1 21 21 LYS CB C 21 32.295 32.295 32.134 0.161 19218 60 1 . 1 1 21 21 LYS H H 21 7.356 7.356 7.601 -0.245 19218 61 1 . 1 1 22 22 SER N N 22 111.769 111.769 111.553 0.216 19218 62 1 . 1 1 22 22 SER HA H 22 4.142 4.142 4.408 -0.266 19218 63 1 . 1 1 22 22 SER CA C 22 59.093 59.093 59.612 -0.519 19218 64 1 . 1 1 22 22 SER CB C 22 63.622 63.622 64.024 -0.402 19218 65 1 . 1 1 22 22 SER H H 22 7.420 7.420 7.630 -0.210 19218 66 1 . 1 1 23 23 HIS N N 23 117.400 117.400 119.223 -1.823 19218 67 1 . 1 1 23 23 HIS HA H 23 5.082 5.082 4.984 0.098 19218 68 1 . 1 1 23 23 HIS CA C 23 51.899 51.899 53.257 -1.358 19218 69 1 . 1 1 23 23 HIS CB C 23 29.480 29.480 29.887 -0.407 19218 70 1 . 1 1 23 23 HIS H H 23 6.849 6.849 7.700 -0.851 19218 71 1 . 1 1 24 24 PRO HA H 24 4.071 4.071 4.447 -0.376 19218 72 1 . 1 1 24 24 PRO CA C 24 64.797 64.797 64.193 0.604 19218 73 1 . 1 1 24 24 PRO CB C 24 31.703 31.703 32.175 -0.472 19218 74 1 . 1 1 25 25 TYR N N 25 113.093 113.093 119.376 -6.283 19218 75 1 . 1 1 25 25 TYR HA H 25 4.998 4.998 4.830 0.168 19218 76 1 . 1 1 25 25 TYR CA C 25 55.989 55.989 57.147 -1.158 19218 77 1 . 1 1 25 25 TYR CB C 25 38.525 38.525 36.793 1.732 19218 78 1 . 1 1 25 25 TYR H H 25 7.830 7.830 8.075 -0.245 19218 79 1 . 1 1 26 26 PHE N N 26 127.175 127.175 121.787 5.388 19218 80 1 . 1 1 26 26 PHE HA H 26 5.315 5.315 5.802 -0.487 19218 81 1 . 1 1 26 26 PHE CA C 26 56.685 56.685 55.581 1.104 19218 82 1 . 1 1 26 26 PHE CB C 26 42.995 42.995 43.104 -0.109 19218 83 1 . 1 1 26 26 PHE H H 26 9.123 9.123 8.226 0.897 19218 84 1 . 1 1 27 27 GLN N N 27 128.714 128.714 124.197 4.517 19218 85 1 . 1 1 27 27 GLN HA H 27 5.340 5.340 4.910 0.430 19218 86 1 . 1 1 27 27 GLN CA C 27 53.369 53.369 54.586 -1.217 19218 87 1 . 1 1 27 27 GLN CB C 27 34.871 34.871 32.008 2.863 19218 88 1 . 1 1 27 27 GLN H H 27 8.452 8.452 8.436 0.016 19218 89 1 . 1 1 28 28 LEU N N 28 130.057 130.057 128.801 1.256 19218 90 1 . 1 1 28 28 LEU HA H 28 4.428 4.428 5.090 -0.663 19218 91 1 . 1 1 28 28 LEU CA C 28 54.917 54.917 54.441 0.476 19218 92 1 . 1 1 28 28 LEU CB C 28 42.777 42.777 42.746 0.031 19218 93 1 . 1 1 28 28 LEU H H 28 8.725 8.725 8.523 0.202 19218 94 1 . 1 1 29 29 SER N N 29 122.598 122.598 119.268 3.330 19218 95 1 . 1 1 29 29 SER HA H 29 4.807 4.807 4.795 0.012 19218 96 1 . 1 1 29 29 SER CA C 29 56.103 56.103 56.885 -0.782 19218 97 1 . 1 1 29 29 SER CB C 29 68.677 68.677 66.023 2.654 19218 98 1 . 1 1 29 29 SER H H 29 8.540 8.540 8.240 0.299 19218 99 1 . 1 1 30 30 ALA N N 30 121.919 121.919 123.051 -1.132 19218 100 1 . 1 1 30 30 ALA HA H 30 4.511 4.511 4.576 -0.065 19218 101 1 . 1 1 30 30 ALA CA C 30 51.223 51.223 51.483 -0.260 19218 102 1 . 1 1 30 30 ALA CB C 30 21.448 21.448 20.464 0.985 19218 103 1 . 1 1 30 30 ALA H H 30 7.215 7.215 8.318 -1.103 19218 104 1 . 1 1 31 31 SER N N 31 121.144 121.144 115.333 5.811 19218 105 1 . 1 1 31 31 SER HA H 31 3.721 3.721 4.440 -0.719 19218 106 1 . 1 1 31 31 SER CA C 31 60.666 60.666 58.869 1.797 19218 107 1 . 1 1 31 31 SER CB C 31 61.979 61.979 62.829 -0.850 19218 108 1 . 1 1 31 31 SER H H 31 8.979 8.979 8.575 0.404 19218 109 1 . 1 1 32 32 TRP N N 32 113.811 113.811 121.651 -7.840 19218 110 1 . 1 1 32 32 TRP HA H 32 4.466 4.466 4.690 -0.224 19218 111 1 . 1 1 32 32 TRP CA C 32 54.110 54.110 57.349 -3.239 19218 112 1 . 1 1 32 32 TRP CB C 32 29.431 29.431 29.500 -0.069 19218 113 1 . 1 1 32 32 TRP H H 32 6.228 6.228 8.084 -1.856 19218 114 1 . 1 1 33 33 CYS N N 33 123.310 123.310 120.665 2.645 19218 115 1 . 1 1 33 33 CYS HA H 33 4.913 4.913 4.726 0.187 19218 116 1 . 1 1 33 33 CYS CA C 33 55.462 55.462 56.362 -0.900 19218 117 1 . 1 1 33 33 CYS CB C 33 26.864 26.864 29.247 -2.383 19218 118 1 . 1 1 33 33 CYS H H 33 7.346 7.346 7.972 -0.626 19218 119 1 . 1 1 34 34 PRO HA H 34 4.292 4.292 4.266 0.026 19218 120 1 . 1 1 34 34 PRO CA C 34 65.541 65.541 65.183 0.358 19218 121 1 . 1 1 34 34 PRO CB C 34 32.213 32.213 31.874 0.339 19218 122 1 . 1 1 35 35 ASP N N 35 117.958 117.958 117.774 0.184 19218 123 1 . 1 1 35 35 ASP HA H 35 4.734 4.734 4.474 0.260 19218 124 1 . 1 1 35 35 ASP CA C 35 57.682 57.682 57.048 0.634 19218 125 1 . 1 1 35 35 ASP CB C 35 41.386 41.386 40.378 1.008 19218 126 1 . 1 1 35 35 ASP H H 35 7.757 7.757 8.656 -0.899 19218 127 1 . 1 1 36 36 CYS N N 36 117.708 117.708 118.119 -0.411 19218 128 1 . 1 1 36 36 CYS HA H 36 3.364 3.364 4.222 -0.858 19218 129 1 . 1 1 36 36 CYS CA C 36 62.714 62.714 62.218 0.496 19218 130 1 . 1 1 36 36 CYS CB C 36 27.050 27.050 27.548 -0.498 19218 131 1 . 1 1 36 36 CYS H H 36 7.621 7.621 7.854 -0.233 19218 132 1 . 1 1 37 37 VAL N N 37 122.173 122.173 119.859 2.314 19218 133 1 . 1 1 37 37 VAL HA H 37 3.551 3.551 3.654 -0.103 19218 134 1 . 1 1 37 37 VAL CA C 37 66.465 66.465 66.233 0.232 19218 135 1 . 1 1 37 37 VAL CB C 37 31.103 31.103 31.323 -0.220 19218 136 1 . 1 1 37 37 VAL H H 37 7.400 7.400 7.654 -0.254 19218 137 1 . 1 1 38 38 TYR N N 38 119.439 119.439 121.102 -1.663 19218 138 1 . 1 1 38 38 TYR HA H 38 4.201 4.201 4.053 0.148 19218 139 1 . 1 1 38 38 TYR CA C 38 60.196 60.196 61.880 -1.684 19218 140 1 . 1 1 38 38 TYR CB C 38 37.129 37.129 38.192 -1.063 19218 141 1 . 1 1 38 38 TYR H H 38 7.782 7.782 7.793 -0.011 19218 142 1 . 1 1 39 39 ALA N N 39 123.137 123.137 120.460 2.677 19218 143 1 . 1 1 39 39 ALA HA H 39 2.836 2.836 3.779 -0.943 19218 144 1 . 1 1 39 39 ALA CA C 39 55.290 55.290 55.075 0.215 19218 145 1 . 1 1 39 39 ALA CB C 39 17.075 17.075 18.095 -1.020 19218 146 1 . 1 1 39 39 ALA H H 39 7.118 7.118 8.107 -0.989 19218 147 1 . 1 1 40 40 ASN N N 40 113.073 113.073 115.924 -2.850 19218 148 1 . 1 1 40 40 ASN HA H 40 4.434 4.434 4.428 0.006 19218 149 1 . 1 1 40 40 ASN CA C 40 55.253 55.253 55.733 -0.480 19218 150 1 . 1 1 40 40 ASN CB C 40 36.739 36.739 38.371 -1.632 19218 151 1 . 1 1 40 40 ASN H H 40 7.954 7.954 7.989 -0.035 19218 152 1 . 1 1 41 41 SER N N 41 118.672 118.672 117.134 1.538 19218 153 1 . 1 1 41 41 SER HA H 41 4.166 4.166 4.158 0.008 19218 154 1 . 1 1 41 41 SER CA C 41 61.119 61.119 61.791 -0.673 19218 155 1 . 1 1 41 41 SER CB C 41 62.321 62.321 62.944 -0.623 19218 156 1 . 1 1 41 41 SER H H 41 8.097 8.097 7.962 0.135 19218 157 1 . 1 1 42 42 ILE N N 42 126.562 126.562 121.026 5.536 19218 158 1 . 1 1 42 42 ILE HA H 42 3.462 3.462 3.775 -0.313 19218 159 1 . 1 1 42 42 ILE CA C 42 62.316 62.316 63.536 -1.220 19218 160 1 . 1 1 42 42 ILE CB C 42 33.663 33.663 36.780 -3.117 19218 161 1 . 1 1 42 42 ILE H H 42 6.995 6.995 7.518 -0.523 19218 stop_ save_