data_18166 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18166 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 18166 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 109.986 109.986 109.642 0.344 18166 2 1 1 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.622 0.188 18166 3 1 1 . 1 1 2 2 GLY H H 2 8.520 8.520 8.191 0.329 18166 4 1 1 . 1 1 3 3 HIS N N 3 117.442 117.442 123.610 -6.168 18166 5 1 1 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.225 0.395 18166 6 1 1 . 1 1 3 3 HIS CB C 3 28.428 28.428 29.452 -1.024 18166 7 1 1 . 1 1 3 3 HIS H H 3 8.406 8.406 8.534 -0.128 18166 8 1 1 . 1 1 4 4 HIS N N 4 118.932 118.932 123.504 -4.572 18166 9 1 1 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.490 0.138 18166 10 1 1 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.841 -1.934 18166 11 1 1 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.248 -2.050 18166 12 1 1 . 1 1 4 4 HIS H H 4 8.552 8.552 8.607 -0.055 18166 13 1 1 . 1 1 5 5 HIS N N 5 119.580 119.580 118.674 0.906 18166 14 1 1 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.691 -0.043 18166 15 1 1 . 1 1 5 5 HIS CA C 5 55.133 55.133 54.957 0.176 18166 16 1 1 . 1 1 5 5 HIS CB C 5 28.761 28.761 31.390 -2.628 18166 17 1 1 . 1 1 5 5 HIS H H 5 8.615 8.615 8.157 0.458 18166 18 1 1 . 1 1 6 6 HIS N N 6 121.369 121.369 119.467 1.902 18166 19 1 1 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.441 0.207 18166 20 1 1 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.133 -0.184 18166 21 1 1 . 1 1 6 6 HIS CB C 6 29.100 29.100 31.147 -2.047 18166 22 1 1 . 1 1 6 6 HIS H H 6 8.732 8.732 8.605 0.127 18166 23 1 1 . 1 1 7 7 HIS N N 7 120.276 120.276 117.248 3.028 18166 24 1 1 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.483 0.159 18166 25 1 1 . 1 1 7 7 HIS CA C 7 55.147 55.147 58.012 -2.865 18166 26 1 1 . 1 1 7 7 HIS CB C 7 28.825 28.825 29.951 -1.126 18166 27 1 1 . 1 1 7 7 HIS H H 7 8.708 8.708 8.527 0.181 18166 28 1 1 . 1 1 8 8 HIS N N 8 120.007 120.007 116.237 3.770 18166 29 1 1 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.874 -0.178 18166 30 1 1 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.139 -0.278 18166 31 1 1 . 1 1 8 8 HIS CB C 8 28.696 28.696 29.887 -1.192 18166 32 1 1 . 1 1 8 8 HIS H H 8 8.708 8.708 8.359 0.349 18166 33 1 1 . 1 1 9 9 SER N N 9 117.977 117.977 115.967 2.010 18166 34 1 1 . 1 1 9 9 SER HA H 9 4.404 4.404 4.719 -0.315 18166 35 1 1 . 1 1 9 9 SER CA C 9 57.718 57.718 57.889 -0.171 18166 36 1 1 . 1 1 9 9 SER CB C 9 63.246 63.246 64.327 -1.081 18166 37 1 1 . 1 1 9 9 SER H H 9 8.535 8.535 7.640 0.895 18166 38 1 1 . 1 1 10 10 HIS N N 10 120.441 120.441 126.484 -6.043 18166 39 1 1 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.673 0.022 18166 40 1 1 . 1 1 10 10 HIS H H 10 8.744 8.744 8.901 -0.157 18166 41 1 1 . 1 1 11 11 MET N N 11 122.004 122.004 122.235 -0.231 18166 42 1 1 . 1 1 11 11 MET HA H 11 4.427 4.427 4.253 0.174 18166 43 1 1 . 1 1 11 11 MET CA C 11 54.665 54.665 56.075 -1.410 18166 44 1 1 . 1 1 11 11 MET CB C 11 32.913 32.913 32.338 0.575 18166 45 1 1 . 1 1 11 11 MET H H 11 8.443 8.443 8.580 -0.137 18166 46 1 1 . 1 1 12 12 ASN N N 12 121.852 121.852 118.579 3.273 18166 47 1 1 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.908 0.029 18166 48 1 1 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.897 -0.517 18166 49 1 1 . 1 1 12 12 ASN CB C 12 38.313 38.313 39.306 -0.993 18166 50 1 1 . 1 1 12 12 ASN H H 12 8.631 8.631 8.030 0.601 18166 51 1 1 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.377 -0.017 18166 52 1 1 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.377 -1.228 18166 53 1 1 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.346 -0.594 18166 54 1 1 . 1 1 14 14 ASP N N 14 119.643 119.643 117.284 2.359 18166 55 1 1 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.767 -0.224 18166 56 1 1 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.616 0.412 18166 57 1 1 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.489 -1.727 18166 58 1 1 . 1 1 14 14 ASP H H 14 8.344 8.344 7.815 0.529 18166 59 1 1 . 1 1 15 15 LEU N N 15 123.333 123.333 126.208 -2.875 18166 60 1 1 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.112 0.037 18166 61 1 1 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.456 -1.013 18166 62 1 1 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.846 -0.470 18166 63 1 1 . 1 1 15 15 LEU H H 15 8.119 8.119 8.759 -0.640 18166 64 1 1 . 1 1 16 16 ALA N N 16 121.879 121.879 120.770 1.109 18166 65 1 1 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.090 0.024 18166 66 1 1 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.630 -1.260 18166 67 1 1 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.770 -0.722 18166 68 1 1 . 1 1 16 16 ALA H H 16 8.212 8.212 8.044 0.168 18166 69 1 1 . 1 1 17 17 LEU N N 17 118.990 118.990 114.526 4.464 18166 70 1 1 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.442 -0.303 18166 71 1 1 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.206 -1.097 18166 72 1 1 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.037 -0.661 18166 73 1 1 . 1 1 17 17 LEU H H 17 7.719 7.719 7.654 0.065 18166 74 1 1 . 1 1 18 18 MET N N 18 118.534 118.534 118.945 -0.411 18166 75 1 1 . 1 1 18 18 MET HA H 18 4.274 4.274 4.405 -0.131 18166 76 1 1 . 1 1 18 18 MET CA C 18 56.497 56.497 56.880 -0.383 18166 77 1 1 . 1 1 18 18 MET CB C 18 31.787 31.787 31.532 0.255 18166 78 1 1 . 1 1 18 18 MET H H 18 7.996 7.996 7.465 0.531 18166 79 1 1 . 1 1 19 19 VAL N N 19 119.243 119.243 119.919 -0.676 18166 80 1 1 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.742 0.091 18166 81 1 1 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.707 -1.973 18166 82 1 1 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.435 0.221 18166 83 1 1 . 1 1 19 19 VAL H H 19 7.915 7.915 8.342 -0.427 18166 84 1 1 . 1 1 20 20 LYS N N 20 123.321 123.321 118.138 5.183 18166 85 1 1 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.194 -0.217 18166 86 1 1 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.344 -1.001 18166 87 1 1 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.849 0.147 18166 88 1 1 . 1 1 20 20 LYS H H 20 8.139 8.139 7.670 0.469 18166 89 1 1 . 1 1 21 21 ASN N N 21 118.732 118.732 119.502 -0.770 18166 90 1 1 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.493 0.085 18166 91 1 1 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.078 -1.838 18166 92 1 1 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.254 -0.515 18166 93 1 1 . 1 1 21 21 ASN H H 21 8.349 8.349 7.757 0.592 18166 94 1 1 . 1 1 22 22 LYS N N 22 121.941 121.941 119.294 2.647 18166 95 1 1 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.437 -0.413 18166 96 1 1 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.645 -0.335 18166 97 1 1 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.780 -0.261 18166 98 1 1 . 1 1 22 22 LYS H H 22 8.185 8.185 7.792 0.393 18166 99 1 1 . 1 1 23 23 GLY N N 23 107.792 107.792 108.865 -1.073 18166 100 1 1 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.980 0.786 18166 101 1 1 . 1 1 23 23 GLY H H 23 8.336 8.336 8.028 0.308 18166 102 1 1 . 1 1 24 24 ASN N N 24 120.049 120.049 120.840 -0.791 18166 103 1 1 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.695 -0.111 18166 104 1 1 . 1 1 24 24 ASN CA C 24 55.201 55.201 56.056 -0.855 18166 105 1 1 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.987 -1.417 18166 106 1 1 . 1 1 24 24 ASN H H 24 8.337 8.337 8.229 0.108 18166 107 1 1 . 1 1 25 25 GLU N N 25 121.510 121.510 121.258 0.252 18166 108 1 1 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.131 -0.084 18166 109 1 1 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.317 -0.341 18166 110 1 1 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.348 -0.245 18166 111 1 1 . 1 1 25 25 GLU H H 25 8.366 8.366 8.040 0.326 18166 112 1 1 . 1 1 26 26 CYS N N 26 116.512 116.512 118.639 -2.127 18166 113 1 1 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.055 0.047 18166 114 1 1 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.086 -0.082 18166 115 1 1 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.646 -0.390 18166 116 1 1 . 1 1 26 26 CYS H H 26 8.092 8.092 7.879 0.213 18166 117 1 1 . 1 1 27 27 PHE N N 27 122.066 122.066 121.846 0.220 18166 118 1 1 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.410 -0.658 18166 119 1 1 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.315 0.165 18166 120 1 1 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.947 0.955 18166 121 1 1 . 1 1 27 27 PHE H H 27 8.756 8.756 7.899 0.857 18166 122 1 1 . 1 1 28 28 GLN N N 28 119.430 119.430 119.470 -0.040 18166 123 1 1 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.150 -0.134 18166 124 1 1 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.078 0.047 18166 125 1 1 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.351 -0.141 18166 126 1 1 . 1 1 28 28 GLN H H 28 8.574 8.574 7.998 0.576 18166 127 1 1 . 1 1 29 29 LYS N N 29 116.011 116.011 117.428 -1.417 18166 128 1 1 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.224 0.020 18166 129 1 1 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.700 0.398 18166 130 1 1 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.294 0.242 18166 131 1 1 . 1 1 29 29 LYS H H 29 7.410 7.410 7.487 -0.077 18166 132 1 1 . 1 1 30 30 GLY N N 30 107.636 107.636 108.810 -1.174 18166 133 1 1 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.835 -0.252 18166 134 1 1 . 1 1 30 30 GLY H H 30 7.566 7.566 7.705 -0.139 18166 135 1 1 . 1 1 31 31 ASP N N 31 120.587 120.587 118.913 1.674 18166 136 1 1 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.955 -0.287 18166 137 1 1 . 1 1 31 31 ASP CA C 31 51.041 51.041 52.337 -1.296 18166 138 1 1 . 1 1 31 31 ASP CB C 31 38.718 38.718 43.530 -4.812 18166 139 1 1 . 1 1 31 31 ASP H H 31 7.826 7.826 7.559 0.267 18166 140 1 1 . 1 1 32 32 TYR N N 32 120.190 120.190 122.329 -2.139 18166 141 1 1 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.840 -1.068 18166 142 1 1 . 1 1 32 32 TYR CA C 32 62.254 62.254 60.710 1.544 18166 143 1 1 . 1 1 32 32 TYR H H 32 7.313 7.313 8.656 -1.343 18166 144 1 1 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.448 -0.228 18166 145 1 1 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.599 0.756 18166 146 1 1 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.783 -0.496 18166 147 1 1 . 1 1 34 34 GLN N N 34 115.797 115.797 117.207 -1.410 18166 148 1 1 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.998 -0.073 18166 149 1 1 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.490 -0.326 18166 150 1 1 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.773 0.605 18166 151 1 1 . 1 1 34 34 GLN H H 34 7.278 7.278 8.131 -0.853 18166 152 1 1 . 1 1 35 35 ALA N N 35 121.852 121.852 121.130 0.722 18166 153 1 1 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.055 0.017 18166 154 1 1 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.877 0.720 18166 155 1 1 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.299 0.246 18166 156 1 1 . 1 1 35 35 ALA H H 35 8.376 8.376 8.086 0.290 18166 157 1 1 . 1 1 36 36 MET N N 36 116.867 116.867 116.784 0.083 18166 158 1 1 . 1 1 36 36 MET HA H 36 3.887 3.887 4.247 -0.360 18166 159 1 1 . 1 1 36 36 MET CA C 36 59.400 59.400 59.145 0.255 18166 160 1 1 . 1 1 36 36 MET CB C 36 30.626 30.626 32.648 -2.022 18166 161 1 1 . 1 1 36 36 MET H H 36 8.538 8.538 7.682 0.856 18166 162 1 1 . 1 1 37 37 LYS N N 37 122.037 122.037 118.800 3.237 18166 163 1 1 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.047 -0.135 18166 164 1 1 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.122 0.103 18166 165 1 1 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.074 0.122 18166 166 1 1 . 1 1 37 37 LYS H H 37 7.599 7.599 7.541 0.058 18166 167 1 1 . 1 1 38 38 HIS N N 38 117.718 117.718 119.230 -1.512 18166 168 1 1 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.653 -0.018 18166 169 1 1 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.709 -0.709 18166 170 1 1 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.575 -1.575 18166 171 1 1 . 1 1 38 38 HIS H H 38 7.908 7.908 7.931 -0.023 18166 172 1 1 . 1 1 39 39 TYR N N 39 118.987 118.987 119.546 -0.559 18166 173 1 1 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.358 0.107 18166 174 1 1 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.308 -0.055 18166 175 1 1 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.540 -0.749 18166 176 1 1 . 1 1 39 39 TYR H H 39 9.156 9.156 7.964 1.192 18166 177 1 1 . 1 1 40 40 THR N N 40 117.147 117.147 115.934 1.213 18166 178 1 1 . 1 1 40 40 THR HA H 40 3.872 3.872 3.945 -0.072 18166 179 1 1 . 1 1 40 40 THR CA C 40 67.449 67.449 66.770 0.679 18166 180 1 1 . 1 1 40 40 THR CB C 40 68.728 68.728 68.547 0.181 18166 181 1 1 . 1 1 40 40 THR H H 40 8.476 8.476 8.057 0.419 18166 182 1 1 . 1 1 41 41 GLU N N 41 122.067 122.067 120.563 1.504 18166 183 1 1 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.160 -0.181 18166 184 1 1 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.860 -0.115 18166 185 1 1 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.874 -0.151 18166 186 1 1 . 1 1 41 41 GLU H H 41 7.762 7.762 8.200 -0.438 18166 187 1 1 . 1 1 42 42 ALA N N 42 122.040 122.040 122.216 -0.176 18166 188 1 1 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.122 -0.153 18166 189 1 1 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.622 0.547 18166 190 1 1 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.521 -0.151 18166 191 1 1 . 1 1 42 42 ALA H H 42 8.191 8.191 7.456 0.735 18166 192 1 1 . 1 1 43 43 ILE N N 43 122.662 122.662 118.128 4.534 18166 193 1 1 . 1 1 43 43 ILE HA H 43 3.316 3.316 4.009 -0.693 18166 194 1 1 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.436 1.162 18166 195 1 1 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.837 0.650 18166 196 1 1 . 1 1 43 43 ILE H H 43 8.427 8.427 7.840 0.587 18166 197 1 1 . 1 1 44 44 LYS N N 44 117.349 117.349 118.220 -0.871 18166 198 1 1 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.112 -0.171 18166 199 1 1 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.787 0.914 18166 200 1 1 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.962 0.029 18166 201 1 1 . 1 1 44 44 LYS H H 44 7.473 7.473 7.514 -0.041 18166 202 1 1 . 1 1 45 45 ARG N N 45 114.723 114.723 115.703 -0.980 18166 203 1 1 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.398 -0.225 18166 204 1 1 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.684 0.722 18166 205 1 1 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.212 -0.875 18166 206 1 1 . 1 1 45 45 ARG H H 45 7.150 7.150 7.363 -0.213 18166 207 1 1 . 1 1 46 46 ASN N N 46 115.919 115.919 116.623 -0.704 18166 208 1 1 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.143 -0.070 18166 209 1 1 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.494 -0.337 18166 210 1 1 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.723 -1.092 18166 211 1 1 . 1 1 46 46 ASN H H 46 7.885 7.885 8.003 -0.118 18166 212 1 1 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.503 0.229 18166 213 1 1 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.691 -0.486 18166 214 1 1 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.134 -0.180 18166 215 1 1 . 1 1 48 48 LYS N N 48 118.494 118.494 115.928 2.566 18166 216 1 1 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.282 0.353 18166 217 1 1 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.272 -1.272 18166 218 1 1 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.643 -0.216 18166 219 1 1 . 1 1 48 48 LYS H H 48 8.154 8.154 8.205 -0.051 18166 220 1 1 . 1 1 49 49 ASP N N 49 119.387 119.387 121.418 -2.031 18166 221 1 1 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.585 0.105 18166 222 1 1 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.643 -1.765 18166 223 1 1 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.785 -0.759 18166 224 1 1 . 1 1 49 49 ASP H H 49 7.317 7.317 7.318 -0.001 18166 225 1 1 . 1 1 50 50 ALA N N 50 128.206 128.206 129.523 -1.317 18166 226 1 1 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.203 -0.162 18166 227 1 1 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.956 0.608 18166 228 1 1 . 1 1 50 50 ALA CB C 50 20.090 20.090 19.216 0.874 18166 229 1 1 . 1 1 50 50 ALA H H 50 8.466 8.466 8.402 0.064 18166 230 1 1 . 1 1 51 51 LYS N N 51 113.628 113.628 117.602 -3.974 18166 231 1 1 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.264 -0.387 18166 232 1 1 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.289 1.025 18166 233 1 1 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.372 -0.052 18166 234 1 1 . 1 1 51 51 LYS H H 51 7.985 7.985 7.676 0.309 18166 235 1 1 . 1 1 52 52 LEU N N 52 117.207 117.207 120.341 -3.134 18166 236 1 1 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.962 -0.290 18166 237 1 1 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.557 -0.279 18166 238 1 1 . 1 1 52 52 LEU CB C 52 42.092 42.092 41.106 0.986 18166 239 1 1 . 1 1 52 52 LEU H H 52 7.323 7.323 7.675 -0.352 18166 240 1 1 . 1 1 53 53 TYR N N 53 116.167 116.167 117.585 -1.418 18166 241 1 1 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.123 -0.245 18166 242 1 1 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.089 0.484 18166 243 1 1 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.719 0.428 18166 244 1 1 . 1 1 53 53 TYR H H 53 6.955 6.955 7.676 -0.721 18166 245 1 1 . 1 1 54 54 SER N N 54 112.799 112.799 114.195 -1.396 18166 246 1 1 . 1 1 54 54 SER HA H 54 3.976 3.976 4.166 -0.190 18166 247 1 1 . 1 1 54 54 SER CA C 54 61.200 61.200 61.767 -0.567 18166 248 1 1 . 1 1 54 54 SER CB C 54 62.184 62.184 62.378 -0.194 18166 249 1 1 . 1 1 54 54 SER H H 54 7.661 7.661 7.841 -0.180 18166 250 1 1 . 1 1 55 55 ASN N N 55 119.126 119.126 120.084 -0.958 18166 251 1 1 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.211 -0.112 18166 252 1 1 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.626 -0.385 18166 253 1 1 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.642 -1.365 18166 254 1 1 . 1 1 55 55 ASN H H 55 7.729 7.729 7.444 0.285 18166 255 1 1 . 1 1 56 56 ARG N N 56 122.589 122.589 120.244 2.345 18166 256 1 1 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.760 0.373 18166 257 1 1 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.470 2.090 18166 258 1 1 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.839 -0.770 18166 259 1 1 . 1 1 56 56 ARG H H 56 8.329 8.329 7.367 0.962 18166 260 1 1 . 1 1 57 57 ALA N N 57 122.569 122.569 120.836 1.733 18166 261 1 1 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.234 0.026 18166 262 1 1 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.988 1.087 18166 263 1 1 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.427 1.462 18166 264 1 1 . 1 1 57 57 ALA H H 57 8.857 8.857 7.778 1.079 18166 265 1 1 . 1 1 58 58 ALA N N 58 120.015 120.015 119.416 0.599 18166 266 1 1 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.158 -0.075 18166 267 1 1 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.776 0.274 18166 268 1 1 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.259 -0.435 18166 269 1 1 . 1 1 58 58 ALA H H 58 7.574 7.574 7.880 -0.306 18166 270 1 1 . 1 1 59 59 CYS N N 59 117.074 117.074 117.061 0.013 18166 271 1 1 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.447 -0.385 18166 272 1 1 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.198 1.047 18166 273 1 1 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.101 -0.274 18166 274 1 1 . 1 1 59 59 CYS H H 59 7.523 7.523 7.365 0.158 18166 275 1 1 . 1 1 60 60 TYR N N 60 118.554 118.554 119.697 -1.143 18166 276 1 1 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.197 0.090 18166 277 1 1 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.983 0.921 18166 278 1 1 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.002 1.275 18166 279 1 1 . 1 1 60 60 TYR H H 60 8.684 8.684 8.063 0.621 18166 280 1 1 . 1 1 61 61 THR N N 61 116.951 116.951 112.558 4.393 18166 281 1 1 . 1 1 61 61 THR HA H 61 4.264 4.264 2.693 1.571 18166 282 1 1 . 1 1 61 61 THR CA C 61 67.645 67.645 65.701 1.944 18166 283 1 1 . 1 1 61 61 THR CB C 61 67.784 67.784 68.280 -0.496 18166 284 1 1 . 1 1 61 61 THR H H 61 8.572 8.572 7.679 0.893 18166 285 1 1 . 1 1 62 62 LYS N N 62 122.578 122.578 121.167 1.411 18166 286 1 1 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.121 -0.197 18166 287 1 1 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.298 -1.093 18166 288 1 1 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.859 -1.065 18166 289 1 1 . 1 1 62 62 LYS H H 62 7.410 7.410 7.670 -0.260 18166 290 1 1 . 1 1 63 63 LEU N N 63 117.404 117.404 117.931 -0.527 18166 291 1 1 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.331 -0.115 18166 292 1 1 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.731 -0.686 18166 293 1 1 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.402 -0.759 18166 294 1 1 . 1 1 63 63 LEU H H 63 7.397 7.397 7.410 -0.013 18166 295 1 1 . 1 1 64 64 LEU N N 64 113.668 113.668 115.225 -1.557 18166 296 1 1 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.097 -1.127 18166 297 1 1 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.122 -1.304 18166 298 1 1 . 1 1 64 64 LEU CB C 64 37.251 37.251 38.731 -1.480 18166 299 1 1 . 1 1 64 64 LEU H H 64 7.457 7.457 7.624 -0.167 18166 300 1 1 . 1 1 65 65 GLU N N 65 120.636 120.636 118.328 2.308 18166 301 1 1 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.507 -0.104 18166 302 1 1 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.286 -2.056 18166 303 1 1 . 1 1 65 65 GLU CB C 65 27.090 27.090 29.566 -2.476 18166 304 1 1 . 1 1 65 65 GLU H H 65 8.085 8.085 8.052 0.033 18166 305 1 1 . 1 1 66 66 PHE N N 66 118.292 118.292 119.427 -1.135 18166 306 1 1 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.125 -0.099 18166 307 1 1 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.433 -1.444 18166 308 1 1 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.752 -0.469 18166 309 1 1 . 1 1 66 66 PHE H H 66 6.812 6.812 8.472 -1.660 18166 310 1 1 . 1 1 67 67 GLN N N 67 117.166 117.166 117.605 -0.439 18166 311 1 1 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.023 -0.040 18166 312 1 1 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.877 -0.199 18166 313 1 1 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.910 -1.066 18166 314 1 1 . 1 1 67 67 GLN H H 67 8.589 8.589 8.572 0.017 18166 315 1 1 . 1 1 68 68 LEU N N 68 119.871 119.871 119.368 0.503 18166 316 1 1 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.001 -0.235 18166 317 1 1 . 1 1 68 68 LEU CA C 68 57.475 57.475 57.007 0.468 18166 318 1 1 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.790 -2.770 18166 319 1 1 . 1 1 68 68 LEU H H 68 7.422 7.422 7.920 -0.498 18166 320 1 1 . 1 1 69 69 ALA N N 69 121.380 121.380 121.882 -0.502 18166 321 1 1 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.242 -0.109 18166 322 1 1 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.036 0.792 18166 323 1 1 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.607 -0.100 18166 324 1 1 . 1 1 69 69 ALA H H 69 7.871 7.871 7.648 0.223 18166 325 1 1 . 1 1 70 70 LEU N N 70 118.569 118.569 118.478 0.091 18166 326 1 1 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.997 -0.183 18166 327 1 1 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.627 0.952 18166 328 1 1 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.903 -0.977 18166 329 1 1 . 1 1 70 70 LEU H H 70 8.519 8.519 8.149 0.370 18166 330 1 1 . 1 1 71 71 LYS N N 71 119.700 119.700 118.676 1.024 18166 331 1 1 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.940 0.037 18166 332 1 1 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.437 -0.242 18166 333 1 1 . 1 1 71 71 LYS H H 71 7.619 7.619 7.787 -0.168 18166 334 1 1 . 1 1 72 72 ASP N N 72 121.506 121.506 120.461 1.045 18166 335 1 1 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.391 0.223 18166 336 1 1 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.676 -0.383 18166 337 1 1 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.546 -0.564 18166 338 1 1 . 1 1 72 72 ASP H H 72 7.460 7.460 8.562 -1.102 18166 339 1 1 . 1 1 73 73 CYS N N 73 118.302 118.302 118.519 -0.217 18166 340 1 1 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.100 -0.266 18166 341 1 1 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.198 3.489 18166 342 1 1 . 1 1 73 73 CYS CB C 73 26.546 26.546 26.792 -0.246 18166 343 1 1 . 1 1 73 73 CYS H H 73 8.366 8.366 7.534 0.832 18166 344 1 1 . 1 1 74 74 GLU N N 74 117.660 117.660 119.534 -1.874 18166 345 1 1 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.022 -0.121 18166 346 1 1 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.064 -0.851 18166 347 1 1 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.145 -1.129 18166 348 1 1 . 1 1 74 74 GLU H H 74 8.244 8.244 8.043 0.201 18166 349 1 1 . 1 1 75 75 GLU N N 75 119.807 119.807 116.287 3.520 18166 350 1 1 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.212 -0.319 18166 351 1 1 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.881 0.268 18166 352 1 1 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.968 -3.294 18166 353 1 1 . 1 1 75 75 GLU H H 75 7.394 7.394 7.677 -0.283 18166 354 1 1 . 1 1 76 76 CYS N N 76 118.342 118.342 119.705 -1.363 18166 355 1 1 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.762 0.079 18166 356 1 1 . 1 1 76 76 CYS CA C 76 64.303 64.303 62.464 1.839 18166 357 1 1 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.267 0.104 18166 358 1 1 . 1 1 76 76 CYS H H 76 7.852 7.852 7.530 0.322 18166 359 1 1 . 1 1 77 77 ILE N N 77 117.728 117.728 118.170 -0.442 18166 360 1 1 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.211 -0.731 18166 361 1 1 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.879 0.330 18166 362 1 1 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.925 0.624 18166 363 1 1 . 1 1 77 77 ILE H H 77 7.897 7.897 7.458 0.439 18166 364 1 1 . 1 1 78 78 GLN N N 78 117.037 117.037 116.919 0.118 18166 365 1 1 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.185 -0.280 18166 366 1 1 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.101 1.113 18166 367 1 1 . 1 1 78 78 GLN CB C 78 28.350 28.350 29.221 -0.871 18166 368 1 1 . 1 1 78 78 GLN H H 78 7.655 7.655 7.638 0.017 18166 369 1 1 . 1 1 79 79 LEU N N 79 118.180 118.180 119.355 -1.175 18166 370 1 1 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.180 -0.085 18166 371 1 1 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.739 -0.224 18166 372 1 1 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.838 1.206 18166 373 1 1 . 1 1 79 79 LEU H H 79 8.021 8.021 7.529 0.492 18166 374 1 1 . 1 1 80 80 GLU N N 80 117.250 117.250 116.137 1.113 18166 375 1 1 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.785 0.051 18166 376 1 1 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.672 -0.130 18166 377 1 1 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.678 -0.899 18166 378 1 1 . 1 1 80 80 GLU H H 80 8.403 8.403 7.942 0.461 18166 379 1 1 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.689 0.177 18166 380 1 1 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.637 0.108 18166 381 1 1 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.179 -0.427 18166 382 1 1 . 1 1 82 82 THR N N 82 107.443 107.443 110.570 -3.127 18166 383 1 1 . 1 1 82 82 THR HA H 82 4.607 4.607 4.295 0.312 18166 384 1 1 . 1 1 82 82 THR CA C 82 61.139 61.139 61.134 0.005 18166 385 1 1 . 1 1 82 82 THR CB C 82 68.785 68.785 68.024 0.761 18166 386 1 1 . 1 1 82 82 THR H H 82 8.129 8.129 8.162 -0.033 18166 387 1 1 . 1 1 83 83 PHE N N 83 123.490 123.490 121.060 2.430 18166 388 1 1 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.704 0.426 18166 389 1 1 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.203 -0.491 18166 390 1 1 . 1 1 83 83 PHE CB C 83 38.263 38.263 37.636 0.627 18166 391 1 1 . 1 1 83 83 PHE H H 83 8.022 8.022 7.856 0.166 18166 392 1 1 . 1 1 84 84 ILE N N 84 131.837 131.837 124.644 7.193 18166 393 1 1 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.647 0.303 18166 394 1 1 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.061 0.169 18166 395 1 1 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.973 -0.004 18166 396 1 1 . 1 1 84 84 ILE H H 84 8.955 8.955 7.952 1.003 18166 397 1 1 . 1 1 85 85 LYS N N 85 115.465 115.465 119.088 -3.623 18166 398 1 1 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.273 0.185 18166 399 1 1 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.148 -1.812 18166 400 1 1 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.292 0.189 18166 401 1 1 . 1 1 85 85 LYS H H 85 6.000 6.000 8.366 -2.366 18166 402 1 1 . 1 1 86 86 GLY N N 86 103.958 103.958 107.870 -3.912 18166 403 1 1 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.260 0.901 18166 404 1 1 . 1 1 86 86 GLY H H 86 6.966 6.966 8.587 -1.621 18166 405 1 1 . 1 1 87 87 TYR N N 87 115.851 115.851 121.145 -5.294 18166 406 1 1 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.173 -0.233 18166 407 1 1 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.824 -0.627 18166 408 1 1 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.642 0.591 18166 409 1 1 . 1 1 87 87 TYR H H 87 6.814 6.814 7.526 -0.712 18166 410 1 1 . 1 1 88 88 THR N N 88 109.840 109.840 114.722 -4.882 18166 411 1 1 . 1 1 88 88 THR HA H 88 4.328 4.328 4.087 0.241 18166 412 1 1 . 1 1 88 88 THR CA C 88 66.353 66.353 66.543 -0.191 18166 413 1 1 . 1 1 88 88 THR CB C 88 66.371 66.371 68.411 -2.040 18166 414 1 1 . 1 1 88 88 THR H H 88 8.318 8.318 7.639 0.679 18166 415 1 1 . 1 1 89 89 ARG N N 89 121.855 121.855 119.569 2.286 18166 416 1 1 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.335 -0.258 18166 417 1 1 . 1 1 89 89 ARG CA C 89 59.029 59.029 56.931 2.098 18166 418 1 1 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.277 -0.004 18166 419 1 1 . 1 1 89 89 ARG H H 89 8.320 8.320 7.805 0.515 18166 420 1 1 . 1 1 90 90 LYS N N 90 124.436 124.436 121.345 3.091 18166 421 1 1 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.104 -0.175 18166 422 1 1 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.827 1.035 18166 423 1 1 . 1 1 90 90 LYS H H 90 7.379 7.379 8.168 -0.789 18166 424 1 1 . 1 1 91 91 ALA N N 91 121.179 121.179 120.558 0.621 18166 425 1 1 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.906 -0.414 18166 426 1 1 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.856 0.197 18166 427 1 1 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.620 -2.175 18166 428 1 1 . 1 1 91 91 ALA H H 91 8.460 8.460 7.844 0.616 18166 429 1 1 . 1 1 92 92 ALA N N 92 118.165 118.165 120.744 -2.579 18166 430 1 1 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.278 -0.154 18166 431 1 1 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.733 0.134 18166 432 1 1 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.606 -0.586 18166 433 1 1 . 1 1 92 92 ALA H H 92 7.871 7.871 7.687 0.184 18166 434 1 1 . 1 1 93 93 ALA N N 93 123.065 123.065 121.623 1.442 18166 435 1 1 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.432 -0.442 18166 436 1 1 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.684 0.654 18166 437 1 1 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.579 -1.958 18166 438 1 1 . 1 1 93 93 ALA H H 93 7.649 7.649 7.691 -0.042 18166 439 1 1 . 1 1 94 94 LEU N N 94 117.762 117.762 120.052 -2.290 18166 440 1 1 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.854 0.262 18166 441 1 1 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.610 0.040 18166 442 1 1 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.383 0.419 18166 443 1 1 . 1 1 94 94 LEU H H 94 7.847 7.847 8.190 -0.343 18166 444 1 1 . 1 1 95 95 GLU N N 95 121.139 121.139 118.890 2.249 18166 445 1 1 . 1 1 95 95 GLU HA H 95 3.355 3.355 3.977 -0.622 18166 446 1 1 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.527 -0.399 18166 447 1 1 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.815 -0.422 18166 448 1 1 . 1 1 95 95 GLU H H 95 8.971 8.971 8.330 0.641 18166 449 1 1 . 1 1 96 96 ALA N N 96 124.630 124.630 118.945 5.685 18166 450 1 1 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.067 -0.116 18166 451 1 1 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.707 0.865 18166 452 1 1 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.430 -1.071 18166 453 1 1 . 1 1 96 96 ALA H H 96 7.890 7.890 7.557 0.333 18166 454 1 1 . 1 1 97 97 MET N N 97 115.484 115.484 116.760 -1.276 18166 455 1 1 . 1 1 97 97 MET HA H 97 3.714 3.714 4.398 -0.684 18166 456 1 1 . 1 1 97 97 MET CA C 97 56.071 56.071 53.875 2.196 18166 457 1 1 . 1 1 97 97 MET CB C 97 33.654 33.654 32.082 1.572 18166 458 1 1 . 1 1 97 97 MET H H 97 7.155 7.155 7.446 -0.291 18166 459 1 1 . 1 1 98 98 LYS N N 98 112.882 112.882 114.533 -1.651 18166 460 1 1 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.295 -0.565 18166 461 1 1 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.273 -0.521 18166 462 1 1 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.047 -0.927 18166 463 1 1 . 1 1 98 98 LYS H H 98 7.597 7.597 7.510 0.087 18166 464 1 1 . 1 1 99 99 ASP N N 99 120.642 120.642 120.751 -0.109 18166 465 1 1 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.713 0.124 18166 466 1 1 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.632 -2.870 18166 467 1 1 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.279 -1.600 18166 468 1 1 . 1 1 99 99 ASP H H 99 7.888 7.888 8.047 -0.159 18166 469 1 1 . 1 1 100 100 TYR N N 100 117.948 117.948 119.400 -1.452 18166 470 1 1 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.129 -0.184 18166 471 1 1 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.864 1.070 18166 472 1 1 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.201 0.438 18166 473 1 1 . 1 1 100 100 TYR H H 100 6.984 6.984 7.176 -0.192 18166 474 1 1 . 1 1 101 101 THR N N 101 113.752 113.752 109.725 4.027 18166 475 1 1 . 1 1 101 101 THR HA H 101 4.008 4.008 4.078 -0.070 18166 476 1 1 . 1 1 101 101 THR CA C 101 65.857 65.857 65.572 0.285 18166 477 1 1 . 1 1 101 101 THR CB C 101 67.689 67.689 68.234 -0.545 18166 478 1 1 . 1 1 101 101 THR H H 101 8.543 8.543 8.440 0.103 18166 479 1 1 . 1 1 102 102 LYS N N 102 120.641 120.641 121.354 -0.713 18166 480 1 1 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.542 -0.400 18166 481 1 1 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.726 1.360 18166 482 1 1 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.947 0.232 18166 483 1 1 . 1 1 102 102 LYS H H 102 7.348 7.348 7.706 -0.358 18166 484 1 1 . 1 1 103 103 ALA N N 103 120.302 120.302 123.395 -3.093 18166 485 1 1 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.912 -0.247 18166 486 1 1 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.374 0.282 18166 487 1 1 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.580 0.309 18166 488 1 1 . 1 1 103 103 ALA H H 103 8.344 8.344 8.344 -0.000 18166 489 1 1 . 1 1 104 104 MET N N 104 116.430 116.430 115.042 1.388 18166 490 1 1 . 1 1 104 104 MET HA H 104 3.939 3.939 4.462 -0.523 18166 491 1 1 . 1 1 104 104 MET CA C 104 61.020 61.020 59.214 1.806 18166 492 1 1 . 1 1 104 104 MET CB C 104 33.904 33.904 32.329 1.575 18166 493 1 1 . 1 1 104 104 MET H H 104 8.375 8.375 8.267 0.108 18166 494 1 1 . 1 1 105 105 ASP N N 105 117.449 117.449 120.540 -3.091 18166 495 1 1 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.465 0.045 18166 496 1 1 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.503 -0.390 18166 497 1 1 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.411 -0.202 18166 498 1 1 . 1 1 105 105 ASP H H 105 7.319 7.319 8.076 -0.757 18166 499 1 1 . 1 1 106 106 VAL N N 106 121.168 121.168 119.850 1.318 18166 500 1 1 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.890 -0.140 18166 501 1 1 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.114 0.866 18166 502 1 1 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.368 -0.607 18166 503 1 1 . 1 1 106 106 VAL H H 106 7.825 7.825 7.625 0.200 18166 504 1 1 . 1 1 107 107 TYR N N 107 120.714 120.714 119.611 1.103 18166 505 1 1 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.151 0.120 18166 506 1 1 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.835 0.618 18166 507 1 1 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.347 0.807 18166 508 1 1 . 1 1 107 107 TYR H H 107 9.215 9.215 8.354 0.861 18166 509 1 1 . 1 1 108 108 GLN N N 108 117.293 117.293 118.877 -1.584 18166 510 1 1 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.893 -0.060 18166 511 1 1 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.896 -0.194 18166 512 1 1 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.266 -0.021 18166 513 1 1 . 1 1 108 108 GLN H H 108 8.605 8.605 7.928 0.677 18166 514 1 1 . 1 1 109 109 LYS N N 109 120.342 120.342 118.338 2.004 18166 515 1 1 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.975 0.027 18166 516 1 1 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.209 0.328 18166 517 1 1 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.873 -0.852 18166 518 1 1 . 1 1 109 109 LYS H H 109 7.571 7.571 7.776 -0.205 18166 519 1 1 . 1 1 110 110 ALA N N 110 119.851 119.851 122.766 -2.915 18166 520 1 1 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.844 -0.065 18166 521 1 1 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.027 0.025 18166 522 1 1 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.302 -0.614 18166 523 1 1 . 1 1 110 110 ALA H H 110 7.693 7.693 7.761 -0.068 18166 524 1 1 . 1 1 111 111 LEU N N 111 117.859 117.859 117.958 -0.099 18166 525 1 1 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.018 0.059 18166 526 1 1 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.040 -0.829 18166 527 1 1 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.246 0.563 18166 528 1 1 . 1 1 111 111 LEU H H 111 7.811 7.811 8.085 -0.274 18166 529 1 1 . 1 1 112 112 ASP N N 112 118.421 118.421 119.825 -1.404 18166 530 1 1 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.396 -0.145 18166 531 1 1 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.765 -1.003 18166 532 1 1 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.230 -2.035 18166 533 1 1 . 1 1 112 112 ASP H H 112 8.099 8.099 7.867 0.232 18166 534 1 1 . 1 1 113 113 LEU N N 113 120.299 120.299 119.083 1.216 18166 535 1 1 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.001 0.156 18166 536 1 1 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.715 -0.181 18166 537 1 1 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.471 0.008 18166 538 1 1 . 1 1 113 113 LEU H H 113 7.319 7.319 7.580 -0.261 18166 539 1 1 . 1 1 114 114 ASP N N 114 118.196 118.196 114.957 3.239 18166 540 1 1 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.693 -0.055 18166 541 1 1 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.741 -0.553 18166 542 1 1 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.264 -0.997 18166 543 1 1 . 1 1 114 114 ASP H H 114 8.190 8.190 7.621 0.569 18166 544 1 1 . 1 1 115 115 SER N N 115 121.421 121.421 120.868 0.553 18166 545 1 1 . 1 1 115 115 SER HA H 115 4.272 4.272 4.318 -0.046 18166 546 1 1 . 1 1 115 115 SER CA C 115 60.133 60.133 60.520 -0.387 18166 547 1 1 . 1 1 115 115 SER CB C 115 62.791 62.791 63.084 -0.293 18166 548 1 1 . 1 1 115 115 SER H H 115 8.775 8.775 8.808 -0.033 18166 549 1 1 . 1 1 116 116 SER N N 116 116.860 116.860 118.565 -1.705 18166 550 1 1 . 1 1 116 116 SER HA H 116 4.481 4.481 4.224 0.257 18166 551 1 1 . 1 1 116 116 SER CA C 116 57.961 57.961 61.169 -3.208 18166 552 1 1 . 1 1 116 116 SER CB C 116 63.960 63.960 62.904 1.056 18166 553 1 1 . 1 1 116 116 SER H H 116 8.404 8.404 7.852 0.552 18166 554 1 1 . 1 1 117 117 CYS N N 117 121.814 121.814 120.598 1.216 18166 555 1 1 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.357 -0.046 18166 556 1 1 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.247 0.725 18166 557 1 1 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.095 -0.229 18166 558 1 1 . 1 1 117 117 CYS H H 117 7.401 7.401 7.711 -0.310 18166 559 1 1 . 1 1 118 118 LYS N N 118 105.939 105.939 120.486 -14.547 18166 560 1 1 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.870 0.102 18166 561 1 1 . 1 1 118 118 LYS CA C 118 58.867 58.867 58.993 -0.126 18166 562 1 1 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.506 0.850 18166 563 1 1 . 1 1 118 118 LYS H H 118 8.647 8.647 7.959 0.688 18166 564 1 1 . 1 1 119 119 GLU N N 119 117.724 117.724 118.119 -0.395 18166 565 1 1 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.071 0.060 18166 566 1 1 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.888 0.112 18166 567 1 1 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.867 0.605 18166 568 1 1 . 1 1 119 119 GLU H H 119 8.998 8.998 8.337 0.661 18166 569 1 1 . 1 1 120 120 ALA N N 120 120.855 120.855 121.053 -0.198 18166 570 1 1 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.155 0.213 18166 571 1 1 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.414 -1.108 18166 572 1 1 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.555 -0.442 18166 573 1 1 . 1 1 120 120 ALA H H 120 7.494 7.494 8.357 -0.863 18166 574 1 1 . 1 1 121 121 ALA N N 121 123.265 123.265 121.120 2.145 18166 575 1 1 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.051 -0.056 18166 576 1 1 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.720 0.072 18166 577 1 1 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.415 -0.611 18166 578 1 1 . 1 1 121 121 ALA H H 121 7.914 7.914 7.609 0.305 18166 579 1 1 . 1 1 122 122 ASP N N 122 118.732 118.732 118.550 0.182 18166 580 1 1 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.338 -0.067 18166 581 1 1 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.289 -1.047 18166 582 1 1 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.774 -1.659 18166 583 1 1 . 1 1 122 122 ASP H H 122 8.964 8.964 7.793 1.171 18166 584 1 1 . 1 1 123 123 GLY N N 123 108.568 108.568 107.028 1.540 18166 585 1 1 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.616 -0.002 18166 586 1 1 . 1 1 123 123 GLY H H 123 7.572 7.572 7.562 0.010 18166 587 1 1 . 1 1 124 124 TYR N N 124 122.944 122.944 123.074 -0.130 18166 588 1 1 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.601 0.013 18166 589 1 1 . 1 1 124 124 TYR CA C 124 63.184 63.184 59.924 3.260 18166 590 1 1 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.006 -0.109 18166 591 1 1 . 1 1 124 124 TYR H H 124 8.162 8.162 7.551 0.611 18166 592 1 1 . 1 1 125 125 GLN N N 125 115.988 115.988 117.746 -1.758 18166 593 1 1 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.558 0.317 18166 594 1 1 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.788 -0.168 18166 595 1 1 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.775 0.362 18166 596 1 1 . 1 1 125 125 GLN H H 125 7.510 7.510 7.706 -0.196 18166 597 1 1 . 1 1 126 126 ARG N N 126 118.626 118.626 119.775 -1.149 18166 598 1 1 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.025 -0.092 18166 599 1 1 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.693 1.124 18166 600 1 1 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.632 1.460 18166 601 1 1 . 1 1 126 126 ARG H H 126 8.139 8.139 7.552 0.587 18166 602 1 1 . 1 1 127 127 CYS N N 127 116.985 116.985 117.439 -0.454 18166 603 1 1 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.257 -0.368 18166 604 1 1 . 1 1 127 127 CYS CA C 127 63.963 63.963 61.272 2.692 18166 605 1 1 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.783 -0.017 18166 606 1 1 . 1 1 127 127 CYS H H 127 8.097 8.097 7.642 0.455 18166 607 1 1 . 1 1 128 128 MET N N 128 120.493 120.493 120.060 0.433 18166 608 1 1 . 1 1 128 128 MET HA H 128 3.989 3.989 3.796 0.193 18166 609 1 1 . 1 1 128 128 MET CA C 128 58.420 58.420 58.719 -0.299 18166 610 1 1 . 1 1 128 128 MET CB C 128 31.539 31.539 31.729 -0.190 18166 611 1 1 . 1 1 128 128 MET H H 128 8.163 8.163 8.084 0.079 18166 612 1 1 . 1 1 129 129 MET N N 129 115.583 115.583 115.865 -0.282 18166 613 1 1 . 1 1 129 129 MET HA H 129 4.211 4.211 4.136 0.075 18166 614 1 1 . 1 1 129 129 MET CA C 129 56.677 56.677 57.722 -1.045 18166 615 1 1 . 1 1 129 129 MET CB C 129 31.951 31.951 32.349 -0.398 18166 616 1 1 . 1 1 129 129 MET H H 129 7.723 7.723 7.618 0.105 18166 617 1 1 . 1 1 130 130 ALA N N 130 121.061 121.061 119.312 1.749 18166 618 1 1 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.854 0.054 18166 619 1 1 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.193 -1.113 18166 620 1 1 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.042 -1.538 18166 621 1 1 . 1 1 130 130 ALA H H 130 7.458 7.458 7.466 -0.008 18166 622 1 1 . 1 1 131 131 GLN N N 131 114.560 114.560 115.785 -1.225 18166 623 1 1 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.186 -0.180 18166 624 1 1 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.588 -0.785 18166 625 1 1 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.964 0.141 18166 626 1 1 . 1 1 131 131 GLN H H 131 7.214 7.214 7.344 -0.130 18166 627 1 1 . 1 1 132 132 TYR N N 132 117.856 117.856 117.997 -0.141 18166 628 1 1 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.652 -0.010 18166 629 1 1 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.521 2.037 18166 630 1 1 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.469 1.843 18166 631 1 1 . 1 1 132 132 TYR H H 132 7.545 7.545 7.268 0.277 18166 632 1 2 . 1 1 2 2 GLY N N 2 109.986 109.986 111.167 -1.181 18166 633 1 2 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.158 -0.348 18166 634 1 2 . 1 1 2 2 GLY H H 2 8.520 8.520 8.370 0.150 18166 635 1 2 . 1 1 3 3 HIS N N 3 117.442 117.442 117.072 0.370 18166 636 1 2 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.588 0.032 18166 637 1 2 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.009 -1.581 18166 638 1 2 . 1 1 3 3 HIS H H 3 8.406 8.406 7.608 0.798 18166 639 1 2 . 1 1 4 4 HIS N N 4 118.932 118.932 120.755 -1.823 18166 640 1 2 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.535 0.093 18166 641 1 2 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.175 -0.268 18166 642 1 2 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.241 -2.043 18166 643 1 2 . 1 1 4 4 HIS H H 4 8.552 8.552 7.664 0.888 18166 644 1 2 . 1 1 5 5 HIS N N 5 119.580 119.580 124.928 -5.348 18166 645 1 2 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.381 0.267 18166 646 1 2 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.417 -1.284 18166 647 1 2 . 1 1 5 5 HIS CB C 5 28.761 28.761 29.523 -0.762 18166 648 1 2 . 1 1 5 5 HIS H H 5 8.615 8.615 8.911 -0.296 18166 649 1 2 . 1 1 6 6 HIS N N 6 121.369 121.369 125.810 -4.441 18166 650 1 2 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.714 -0.066 18166 651 1 2 . 1 1 6 6 HIS CA C 6 54.949 54.949 56.035 -1.086 18166 652 1 2 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.393 -1.293 18166 653 1 2 . 1 1 6 6 HIS H H 6 8.732 8.732 8.528 0.204 18166 654 1 2 . 1 1 7 7 HIS N N 7 120.276 120.276 124.054 -3.778 18166 655 1 2 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.601 0.041 18166 656 1 2 . 1 1 7 7 HIS CA C 7 55.147 55.147 57.486 -2.339 18166 657 1 2 . 1 1 7 7 HIS CB C 7 28.825 28.825 31.166 -2.341 18166 658 1 2 . 1 1 7 7 HIS H H 7 8.708 8.708 8.906 -0.198 18166 659 1 2 . 1 1 8 8 HIS N N 8 120.007 120.007 122.733 -2.726 18166 660 1 2 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.687 0.009 18166 661 1 2 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.538 -1.677 18166 662 1 2 . 1 1 8 8 HIS CB C 8 28.696 28.696 28.264 0.432 18166 663 1 2 . 1 1 8 8 HIS H H 8 8.708 8.708 8.582 0.126 18166 664 1 2 . 1 1 9 9 SER N N 9 117.977 117.977 117.292 0.685 18166 665 1 2 . 1 1 9 9 SER HA H 9 4.404 4.404 4.348 0.056 18166 666 1 2 . 1 1 9 9 SER CA C 9 57.718 57.718 57.885 -0.167 18166 667 1 2 . 1 1 9 9 SER CB C 9 63.246 63.246 63.924 -0.678 18166 668 1 2 . 1 1 9 9 SER H H 9 8.535 8.535 8.030 0.505 18166 669 1 2 . 1 1 10 10 HIS N N 10 120.441 120.441 121.339 -0.898 18166 670 1 2 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.585 0.110 18166 671 1 2 . 1 1 10 10 HIS H H 10 8.744 8.744 8.716 0.028 18166 672 1 2 . 1 1 11 11 MET N N 11 122.004 122.004 123.155 -1.151 18166 673 1 2 . 1 1 11 11 MET HA H 11 4.427 4.427 4.229 0.198 18166 674 1 2 . 1 1 11 11 MET CA C 11 54.665 54.665 57.340 -2.675 18166 675 1 2 . 1 1 11 11 MET CB C 11 32.913 32.913 33.069 -0.156 18166 676 1 2 . 1 1 11 11 MET H H 11 8.443 8.443 8.460 -0.017 18166 677 1 2 . 1 1 12 12 ASN N N 12 121.852 121.852 115.237 6.615 18166 678 1 2 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.077 -0.140 18166 679 1 2 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.516 -0.135 18166 680 1 2 . 1 1 12 12 ASN CB C 12 38.313 38.313 40.771 -2.458 18166 681 1 2 . 1 1 12 12 ASN H H 12 8.631 8.631 7.706 0.925 18166 682 1 2 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.388 -0.028 18166 683 1 2 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.440 -1.291 18166 684 1 2 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.246 -0.494 18166 685 1 2 . 1 1 14 14 ASP N N 14 119.643 119.643 116.942 2.701 18166 686 1 2 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.695 -0.152 18166 687 1 2 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.900 0.128 18166 688 1 2 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.325 -1.563 18166 689 1 2 . 1 1 14 14 ASP H H 14 8.344 8.344 7.880 0.464 18166 690 1 2 . 1 1 15 15 LEU N N 15 123.333 123.333 125.971 -2.638 18166 691 1 2 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.087 0.062 18166 692 1 2 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.634 -1.191 18166 693 1 2 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.922 -0.546 18166 694 1 2 . 1 1 15 15 LEU H H 15 8.119 8.119 8.679 -0.560 18166 695 1 2 . 1 1 16 16 ALA N N 16 121.879 121.879 120.741 1.138 18166 696 1 2 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.062 0.052 18166 697 1 2 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.686 -1.316 18166 698 1 2 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.672 -0.624 18166 699 1 2 . 1 1 16 16 ALA H H 16 8.212 8.212 7.883 0.329 18166 700 1 2 . 1 1 17 17 LEU N N 17 118.990 118.990 115.377 3.613 18166 701 1 2 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.277 -0.138 18166 702 1 2 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.538 -1.429 18166 703 1 2 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.965 -0.589 18166 704 1 2 . 1 1 17 17 LEU H H 17 7.719 7.719 7.619 0.100 18166 705 1 2 . 1 1 18 18 MET N N 18 118.534 118.534 118.417 0.117 18166 706 1 2 . 1 1 18 18 MET HA H 18 4.274 4.274 4.344 -0.070 18166 707 1 2 . 1 1 18 18 MET CA C 18 56.497 56.497 57.155 -0.658 18166 708 1 2 . 1 1 18 18 MET CB C 18 31.787 31.787 31.470 0.317 18166 709 1 2 . 1 1 18 18 MET H H 18 7.996 7.996 7.589 0.407 18166 710 1 2 . 1 1 19 19 VAL N N 19 119.243 119.243 119.087 0.156 18166 711 1 2 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.826 0.007 18166 712 1 2 . 1 1 19 19 VAL CA C 19 63.734 63.734 64.763 -1.029 18166 713 1 2 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.383 0.273 18166 714 1 2 . 1 1 19 19 VAL H H 19 7.915 7.915 7.854 0.061 18166 715 1 2 . 1 1 20 20 LYS N N 20 123.321 123.321 118.548 4.773 18166 716 1 2 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.269 -0.292 18166 717 1 2 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.048 -0.705 18166 718 1 2 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.905 0.091 18166 719 1 2 . 1 1 20 20 LYS H H 20 8.139 8.139 7.484 0.655 18166 720 1 2 . 1 1 21 21 ASN N N 21 118.732 118.732 119.673 -0.941 18166 721 1 2 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.501 0.077 18166 722 1 2 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.674 -2.434 18166 723 1 2 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.662 -0.923 18166 724 1 2 . 1 1 21 21 ASN H H 21 8.349 8.349 7.791 0.558 18166 725 1 2 . 1 1 22 22 LYS N N 22 121.941 121.941 119.078 2.863 18166 726 1 2 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.187 -0.163 18166 727 1 2 . 1 1 22 22 LYS CA C 22 58.310 58.310 59.097 -0.787 18166 728 1 2 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.683 -0.164 18166 729 1 2 . 1 1 22 22 LYS H H 22 8.185 8.185 7.520 0.665 18166 730 1 2 . 1 1 23 23 GLY N N 23 107.792 107.792 108.528 -0.736 18166 731 1 2 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.823 0.943 18166 732 1 2 . 1 1 23 23 GLY H H 23 8.336 8.336 7.807 0.529 18166 733 1 2 . 1 1 24 24 ASN N N 24 120.049 120.049 120.946 -0.897 18166 734 1 2 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.539 0.045 18166 735 1 2 . 1 1 24 24 ASN CA C 24 55.201 55.201 56.228 -1.027 18166 736 1 2 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.800 -1.230 18166 737 1 2 . 1 1 24 24 ASN H H 24 8.337 8.337 8.161 0.176 18166 738 1 2 . 1 1 25 25 GLU N N 25 121.510 121.510 120.060 1.450 18166 739 1 2 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.061 -0.014 18166 740 1 2 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.532 -0.556 18166 741 1 2 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.802 -0.699 18166 742 1 2 . 1 1 25 25 GLU H H 25 8.366 8.366 8.126 0.240 18166 743 1 2 . 1 1 26 26 CYS N N 26 116.512 116.512 118.105 -1.593 18166 744 1 2 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.144 -0.042 18166 745 1 2 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.830 0.174 18166 746 1 2 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.218 0.038 18166 747 1 2 . 1 1 26 26 CYS H H 26 8.092 8.092 8.194 -0.102 18166 748 1 2 . 1 1 27 27 PHE N N 27 122.066 122.066 121.185 0.881 18166 749 1 2 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.009 -0.257 18166 750 1 2 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.919 -0.439 18166 751 1 2 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.730 1.172 18166 752 1 2 . 1 1 27 27 PHE H H 27 8.756 8.756 7.813 0.943 18166 753 1 2 . 1 1 28 28 GLN N N 28 119.430 119.430 116.945 2.485 18166 754 1 2 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.058 -0.042 18166 755 1 2 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.829 0.296 18166 756 1 2 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.078 0.132 18166 757 1 2 . 1 1 28 28 GLN H H 28 8.574 8.574 8.329 0.245 18166 758 1 2 . 1 1 29 29 LYS N N 29 116.011 116.011 116.742 -0.731 18166 759 1 2 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.278 -0.034 18166 760 1 2 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.644 0.454 18166 761 1 2 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.330 0.206 18166 762 1 2 . 1 1 29 29 LYS H H 29 7.410 7.410 7.430 -0.020 18166 763 1 2 . 1 1 30 30 GLY N N 30 107.636 107.636 107.299 0.337 18166 764 1 2 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.891 -0.308 18166 765 1 2 . 1 1 30 30 GLY H H 30 7.566 7.566 7.837 -0.271 18166 766 1 2 . 1 1 31 31 ASP N N 31 120.587 120.587 123.454 -2.867 18166 767 1 2 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.882 -0.214 18166 768 1 2 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.069 -2.028 18166 769 1 2 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.018 -0.300 18166 770 1 2 . 1 1 31 31 ASP H H 31 7.826 7.826 8.067 -0.241 18166 771 1 2 . 1 1 32 32 TYR N N 32 120.190 120.190 123.057 -2.867 18166 772 1 2 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.049 -0.277 18166 773 1 2 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.655 -0.401 18166 774 1 2 . 1 1 32 32 TYR H H 32 7.313 7.313 7.895 -0.582 18166 775 1 2 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.297 -0.077 18166 776 1 2 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.643 0.712 18166 777 1 2 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.786 -0.499 18166 778 1 2 . 1 1 34 34 GLN N N 34 115.797 115.797 117.313 -1.516 18166 779 1 2 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.920 0.005 18166 780 1 2 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.355 -0.191 18166 781 1 2 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.662 0.716 18166 782 1 2 . 1 1 34 34 GLN H H 34 7.278 7.278 8.609 -1.331 18166 783 1 2 . 1 1 35 35 ALA N N 35 121.852 121.852 122.148 -0.296 18166 784 1 2 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.692 0.380 18166 785 1 2 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.616 0.981 18166 786 1 2 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.260 0.285 18166 787 1 2 . 1 1 35 35 ALA H H 35 8.376 8.376 7.706 0.670 18166 788 1 2 . 1 1 36 36 MET N N 36 116.867 116.867 116.604 0.263 18166 789 1 2 . 1 1 36 36 MET HA H 36 3.887 3.887 3.989 -0.102 18166 790 1 2 . 1 1 36 36 MET CA C 36 59.400 59.400 59.312 0.088 18166 791 1 2 . 1 1 36 36 MET CB C 36 30.626 30.626 32.452 -1.826 18166 792 1 2 . 1 1 36 36 MET H H 36 8.538 8.538 7.731 0.807 18166 793 1 2 . 1 1 37 37 LYS N N 37 122.037 122.037 118.800 3.237 18166 794 1 2 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.065 -0.153 18166 795 1 2 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.321 -0.096 18166 796 1 2 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.123 0.073 18166 797 1 2 . 1 1 37 37 LYS H H 37 7.599 7.599 7.614 -0.015 18166 798 1 2 . 1 1 38 38 HIS N N 38 117.718 117.718 117.903 -0.185 18166 799 1 2 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.577 0.058 18166 800 1 2 . 1 1 38 38 HIS CA C 38 58.000 58.000 57.639 0.360 18166 801 1 2 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.904 -1.904 18166 802 1 2 . 1 1 38 38 HIS H H 38 7.908 7.908 7.806 0.102 18166 803 1 2 . 1 1 39 39 TYR N N 39 118.987 118.987 117.964 1.023 18166 804 1 2 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.460 0.005 18166 805 1 2 . 1 1 39 39 TYR CA C 39 60.253 60.253 58.906 1.347 18166 806 1 2 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.558 -0.767 18166 807 1 2 . 1 1 39 39 TYR H H 39 9.156 9.156 7.945 1.211 18166 808 1 2 . 1 1 40 40 THR N N 40 117.147 117.147 116.718 0.429 18166 809 1 2 . 1 1 40 40 THR HA H 40 3.872 3.872 3.914 -0.042 18166 810 1 2 . 1 1 40 40 THR CA C 40 67.449 67.449 66.848 0.601 18166 811 1 2 . 1 1 40 40 THR CB C 40 68.728 68.728 68.540 0.188 18166 812 1 2 . 1 1 40 40 THR H H 40 8.476 8.476 8.015 0.461 18166 813 1 2 . 1 1 41 41 GLU N N 41 122.067 122.067 120.135 1.932 18166 814 1 2 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.081 -0.102 18166 815 1 2 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.997 -0.252 18166 816 1 2 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.951 -0.228 18166 817 1 2 . 1 1 41 41 GLU H H 41 7.762 7.762 8.205 -0.443 18166 818 1 2 . 1 1 42 42 ALA N N 42 122.040 122.040 122.251 -0.211 18166 819 1 2 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.098 -0.129 18166 820 1 2 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.550 0.619 18166 821 1 2 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.514 -0.144 18166 822 1 2 . 1 1 42 42 ALA H H 42 8.191 8.191 7.264 0.927 18166 823 1 2 . 1 1 43 43 ILE N N 43 122.662 122.662 118.657 4.005 18166 824 1 2 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.623 -0.307 18166 825 1 2 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.942 0.656 18166 826 1 2 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.459 1.028 18166 827 1 2 . 1 1 43 43 ILE H H 43 8.427 8.427 8.019 0.408 18166 828 1 2 . 1 1 44 44 LYS N N 44 117.349 117.349 117.289 0.060 18166 829 1 2 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.108 -0.167 18166 830 1 2 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.867 0.834 18166 831 1 2 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.933 0.057 18166 832 1 2 . 1 1 44 44 LYS H H 44 7.473 7.473 7.373 0.100 18166 833 1 2 . 1 1 45 45 ARG N N 45 114.723 114.723 116.450 -1.727 18166 834 1 2 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.386 -0.213 18166 835 1 2 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.642 0.764 18166 836 1 2 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.327 -0.990 18166 837 1 2 . 1 1 45 45 ARG H H 45 7.150 7.150 7.571 -0.421 18166 838 1 2 . 1 1 46 46 ASN N N 46 115.919 115.919 117.101 -1.182 18166 839 1 2 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.149 -0.076 18166 840 1 2 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.300 -0.143 18166 841 1 2 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.418 -0.787 18166 842 1 2 . 1 1 46 46 ASN H H 46 7.885 7.885 8.016 -0.131 18166 843 1 2 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.773 -0.041 18166 844 1 2 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.552 -0.347 18166 845 1 2 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.158 -0.204 18166 846 1 2 . 1 1 48 48 LYS N N 48 118.494 118.494 117.692 0.802 18166 847 1 2 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.369 0.266 18166 848 1 2 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.340 -1.340 18166 849 1 2 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.345 -0.918 18166 850 1 2 . 1 1 48 48 LYS H H 48 8.154 8.154 8.075 0.079 18166 851 1 2 . 1 1 49 49 ASP N N 49 119.387 119.387 121.424 -2.037 18166 852 1 2 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.600 0.090 18166 853 1 2 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.887 -1.009 18166 854 1 2 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.939 -0.913 18166 855 1 2 . 1 1 49 49 ASP H H 49 7.317 7.317 7.605 -0.288 18166 856 1 2 . 1 1 50 50 ALA N N 50 128.206 128.206 129.869 -1.663 18166 857 1 2 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.189 -0.148 18166 858 1 2 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.586 0.978 18166 859 1 2 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.790 1.300 18166 860 1 2 . 1 1 50 50 ALA H H 50 8.466 8.466 8.275 0.191 18166 861 1 2 . 1 1 51 51 LYS N N 51 113.628 113.628 118.014 -4.386 18166 862 1 2 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.051 -0.174 18166 863 1 2 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.397 0.917 18166 864 1 2 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.330 -0.010 18166 865 1 2 . 1 1 51 51 LYS H H 51 7.985 7.985 7.888 0.097 18166 866 1 2 . 1 1 52 52 LEU N N 52 117.207 117.207 120.651 -3.444 18166 867 1 2 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.868 -0.196 18166 868 1 2 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.354 -0.076 18166 869 1 2 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.992 1.100 18166 870 1 2 . 1 1 52 52 LEU H H 52 7.323 7.323 7.498 -0.175 18166 871 1 2 . 1 1 53 53 TYR N N 53 116.167 116.167 117.718 -1.551 18166 872 1 2 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.006 -0.128 18166 873 1 2 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.528 0.045 18166 874 1 2 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.988 0.159 18166 875 1 2 . 1 1 53 53 TYR H H 53 6.955 6.955 7.500 -0.545 18166 876 1 2 . 1 1 54 54 SER N N 54 112.799 112.799 113.172 -0.373 18166 877 1 2 . 1 1 54 54 SER HA H 54 3.976 3.976 4.261 -0.285 18166 878 1 2 . 1 1 54 54 SER CA C 54 61.200 61.200 59.682 1.518 18166 879 1 2 . 1 1 54 54 SER CB C 54 62.184 62.184 62.565 -0.381 18166 880 1 2 . 1 1 54 54 SER H H 54 7.661 7.661 7.992 -0.331 18166 881 1 2 . 1 1 55 55 ASN N N 55 119.126 119.126 119.970 -0.844 18166 882 1 2 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.251 -0.152 18166 883 1 2 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.435 -0.194 18166 884 1 2 . 1 1 55 55 ASN CB C 55 36.277 36.277 38.001 -1.724 18166 885 1 2 . 1 1 55 55 ASN H H 55 7.729 7.729 7.715 0.014 18166 886 1 2 . 1 1 56 56 ARG N N 56 122.589 122.589 118.913 3.676 18166 887 1 2 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.878 0.255 18166 888 1 2 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.002 2.558 18166 889 1 2 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.341 -0.272 18166 890 1 2 . 1 1 56 56 ARG H H 56 8.329 8.329 7.324 1.005 18166 891 1 2 . 1 1 57 57 ALA N N 57 122.569 122.569 122.327 0.242 18166 892 1 2 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.217 0.043 18166 893 1 2 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.760 1.315 18166 894 1 2 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.419 1.470 18166 895 1 2 . 1 1 57 57 ALA H H 57 8.857 8.857 7.328 1.529 18166 896 1 2 . 1 1 58 58 ALA N N 58 120.015 120.015 120.026 -0.011 18166 897 1 2 . 1 1 58 58 ALA HA H 58 4.083 4.083 3.979 0.104 18166 898 1 2 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.602 0.448 18166 899 1 2 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.051 -0.227 18166 900 1 2 . 1 1 58 58 ALA H H 58 7.574 7.574 7.765 -0.191 18166 901 1 2 . 1 1 59 59 CYS N N 59 117.074 117.074 117.038 0.036 18166 902 1 2 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.246 -0.184 18166 903 1 2 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.117 1.128 18166 904 1 2 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.896 -1.069 18166 905 1 2 . 1 1 59 59 CYS H H 59 7.523 7.523 7.428 0.095 18166 906 1 2 . 1 1 60 60 TYR N N 60 118.554 118.554 120.018 -1.464 18166 907 1 2 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.198 0.089 18166 908 1 2 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.465 1.439 18166 909 1 2 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.253 1.024 18166 910 1 2 . 1 1 60 60 TYR H H 60 8.684 8.684 8.007 0.677 18166 911 1 2 . 1 1 61 61 THR N N 61 116.951 116.951 112.028 4.923 18166 912 1 2 . 1 1 61 61 THR HA H 61 4.264 4.264 2.967 1.297 18166 913 1 2 . 1 1 61 61 THR CA C 61 67.645 67.645 65.599 2.046 18166 914 1 2 . 1 1 61 61 THR CB C 61 67.784 67.784 67.999 -0.215 18166 915 1 2 . 1 1 61 61 THR H H 61 8.572 8.572 7.729 0.843 18166 916 1 2 . 1 1 62 62 LYS N N 62 122.578 122.578 121.737 0.841 18166 917 1 2 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.233 -0.309 18166 918 1 2 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.084 -0.878 18166 919 1 2 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.947 -1.153 18166 920 1 2 . 1 1 62 62 LYS H H 62 7.410 7.410 7.755 -0.345 18166 921 1 2 . 1 1 63 63 LEU N N 63 117.404 117.404 118.124 -0.720 18166 922 1 2 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.356 -0.140 18166 923 1 2 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.884 -0.839 18166 924 1 2 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.178 -0.535 18166 925 1 2 . 1 1 63 63 LEU H H 63 7.397 7.397 7.506 -0.109 18166 926 1 2 . 1 1 64 64 LEU N N 64 113.668 113.668 115.029 -1.361 18166 927 1 2 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.271 -1.301 18166 928 1 2 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.284 -1.466 18166 929 1 2 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.094 -1.843 18166 930 1 2 . 1 1 64 64 LEU H H 64 7.457 7.457 7.702 -0.245 18166 931 1 2 . 1 1 65 65 GLU N N 65 120.636 120.636 120.129 0.507 18166 932 1 2 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.479 -0.076 18166 933 1 2 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.934 -1.704 18166 934 1 2 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.288 -0.198 18166 935 1 2 . 1 1 65 65 GLU H H 65 8.085 8.085 8.218 -0.133 18166 936 1 2 . 1 1 66 66 PHE N N 66 118.292 118.292 120.717 -2.425 18166 937 1 2 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.108 -0.082 18166 938 1 2 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.371 -1.382 18166 939 1 2 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.876 -0.593 18166 940 1 2 . 1 1 66 66 PHE H H 66 6.812 6.812 7.889 -1.077 18166 941 1 2 . 1 1 67 67 GLN N N 67 117.166 117.166 117.553 -0.387 18166 942 1 2 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.056 -0.073 18166 943 1 2 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.881 -0.203 18166 944 1 2 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.958 -1.114 18166 945 1 2 . 1 1 67 67 GLN H H 67 8.589 8.589 8.666 -0.077 18166 946 1 2 . 1 1 68 68 LEU N N 68 119.871 119.871 118.916 0.955 18166 947 1 2 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.210 -0.444 18166 948 1 2 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.566 0.909 18166 949 1 2 . 1 1 68 68 LEU CB C 68 38.020 38.020 41.081 -3.062 18166 950 1 2 . 1 1 68 68 LEU H H 68 7.422 7.422 7.839 -0.417 18166 951 1 2 . 1 1 69 69 ALA N N 69 121.380 121.380 121.798 -0.418 18166 952 1 2 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.307 -0.174 18166 953 1 2 . 1 1 69 69 ALA CA C 69 55.828 55.828 54.839 0.989 18166 954 1 2 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.509 -0.002 18166 955 1 2 . 1 1 69 69 ALA H H 69 7.871 7.871 7.887 -0.016 18166 956 1 2 . 1 1 70 70 LEU N N 70 118.569 118.569 118.680 -0.111 18166 957 1 2 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.999 -0.185 18166 958 1 2 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.811 0.768 18166 959 1 2 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.942 -1.016 18166 960 1 2 . 1 1 70 70 LEU H H 70 8.519 8.519 7.970 0.549 18166 961 1 2 . 1 1 71 71 LYS N N 71 119.700 119.700 118.161 1.539 18166 962 1 2 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.163 -0.186 18166 963 1 2 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.372 -0.177 18166 964 1 2 . 1 1 71 71 LYS H H 71 7.619 7.619 7.460 0.159 18166 965 1 2 . 1 1 72 72 ASP N N 72 121.506 121.506 120.063 1.443 18166 966 1 2 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.765 -0.151 18166 967 1 2 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.603 -0.310 18166 968 1 2 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.718 -0.736 18166 969 1 2 . 1 1 72 72 ASP H H 72 7.460 7.460 8.488 -1.028 18166 970 1 2 . 1 1 73 73 CYS N N 73 118.302 118.302 118.252 0.050 18166 971 1 2 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.244 -0.410 18166 972 1 2 . 1 1 73 73 CYS CA C 73 64.687 64.687 60.618 4.069 18166 973 1 2 . 1 1 73 73 CYS CB C 73 26.546 26.546 28.274 -1.728 18166 974 1 2 . 1 1 73 73 CYS H H 73 8.366 8.366 7.531 0.835 18166 975 1 2 . 1 1 74 74 GLU N N 74 117.660 117.660 120.717 -3.057 18166 976 1 2 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.143 -0.242 18166 977 1 2 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.859 -0.646 18166 978 1 2 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.186 -1.170 18166 979 1 2 . 1 1 74 74 GLU H H 74 8.244 8.244 8.325 -0.081 18166 980 1 2 . 1 1 75 75 GLU N N 75 119.807 119.807 119.554 0.253 18166 981 1 2 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.021 -0.128 18166 982 1 2 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.605 -0.456 18166 983 1 2 . 1 1 75 75 GLU CB C 75 26.674 26.674 28.942 -2.268 18166 984 1 2 . 1 1 75 75 GLU H H 75 7.394 7.394 8.162 -0.768 18166 985 1 2 . 1 1 76 76 CYS N N 76 118.342 118.342 119.218 -0.876 18166 986 1 2 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.853 -0.012 18166 987 1 2 . 1 1 76 76 CYS CA C 76 64.303 64.303 60.953 3.350 18166 988 1 2 . 1 1 76 76 CYS CB C 76 26.371 26.371 25.886 0.485 18166 989 1 2 . 1 1 76 76 CYS H H 76 7.852 7.852 7.355 0.497 18166 990 1 2 . 1 1 77 77 ILE N N 77 117.728 117.728 119.306 -1.578 18166 991 1 2 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.029 -0.549 18166 992 1 2 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.093 0.116 18166 993 1 2 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.881 0.668 18166 994 1 2 . 1 1 77 77 ILE H H 77 7.897 7.897 7.181 0.716 18166 995 1 2 . 1 1 78 78 GLN N N 78 117.037 117.037 116.988 0.049 18166 996 1 2 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.107 -0.202 18166 997 1 2 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.638 0.576 18166 998 1 2 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.918 -0.568 18166 999 1 2 . 1 1 78 78 GLN H H 78 7.655 7.655 7.664 -0.009 18166 1000 1 2 . 1 1 79 79 LEU N N 79 118.180 118.180 118.626 -0.446 18166 1001 1 2 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.309 -0.214 18166 1002 1 2 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.758 0.756 18166 1003 1 2 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.195 0.849 18166 1004 1 2 . 1 1 79 79 LEU H H 79 8.021 8.021 7.310 0.711 18166 1005 1 2 . 1 1 80 80 GLU N N 80 117.250 117.250 117.273 -0.023 18166 1006 1 2 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.753 0.083 18166 1007 1 2 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.536 0.006 18166 1008 1 2 . 1 1 80 80 GLU CB C 80 30.779 30.779 32.085 -1.306 18166 1009 1 2 . 1 1 80 80 GLU H H 80 8.403 8.403 8.102 0.301 18166 1010 1 2 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.900 -0.034 18166 1011 1 2 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.017 0.728 18166 1012 1 2 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.000 -0.248 18166 1013 1 2 . 1 1 82 82 THR N N 82 107.443 107.443 109.056 -1.613 18166 1014 1 2 . 1 1 82 82 THR HA H 82 4.607 4.607 4.453 0.154 18166 1015 1 2 . 1 1 82 82 THR CA C 82 61.139 61.139 60.840 0.299 18166 1016 1 2 . 1 1 82 82 THR CB C 82 68.785 68.785 68.490 0.295 18166 1017 1 2 . 1 1 82 82 THR H H 82 8.129 8.129 8.007 0.122 18166 1018 1 2 . 1 1 83 83 PHE N N 83 123.490 123.490 119.921 3.569 18166 1019 1 2 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.642 0.488 18166 1020 1 2 . 1 1 83 83 PHE CA C 83 55.712 55.712 55.688 0.024 18166 1021 1 2 . 1 1 83 83 PHE CB C 83 38.263 38.263 37.584 0.679 18166 1022 1 2 . 1 1 83 83 PHE H H 83 8.022 8.022 7.629 0.393 18166 1023 1 2 . 1 1 84 84 ILE N N 84 131.837 131.837 126.248 5.589 18166 1024 1 2 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.803 0.147 18166 1025 1 2 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.782 -0.552 18166 1026 1 2 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.903 0.066 18166 1027 1 2 . 1 1 84 84 ILE H H 84 8.955 8.955 7.794 1.161 18166 1028 1 2 . 1 1 85 85 LYS N N 85 115.465 115.465 119.367 -3.902 18166 1029 1 2 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.108 0.350 18166 1030 1 2 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.867 -2.531 18166 1031 1 2 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.526 -0.045 18166 1032 1 2 . 1 1 85 85 LYS H H 85 6.000 6.000 8.448 -2.448 18166 1033 1 2 . 1 1 86 86 GLY N N 86 103.958 103.958 108.017 -4.059 18166 1034 1 2 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.746 1.415 18166 1035 1 2 . 1 1 86 86 GLY H H 86 6.966 6.966 8.322 -1.356 18166 1036 1 2 . 1 1 87 87 TYR N N 87 115.851 115.851 120.926 -5.075 18166 1037 1 2 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.223 -0.283 18166 1038 1 2 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.484 -0.287 18166 1039 1 2 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.525 0.709 18166 1040 1 2 . 1 1 87 87 TYR H H 87 6.814 6.814 7.322 -0.508 18166 1041 1 2 . 1 1 88 88 THR N N 88 109.840 109.840 115.337 -5.497 18166 1042 1 2 . 1 1 88 88 THR HA H 88 4.328 4.328 4.221 0.107 18166 1043 1 2 . 1 1 88 88 THR CA C 88 66.353 66.353 66.594 -0.241 18166 1044 1 2 . 1 1 88 88 THR CB C 88 66.371 66.371 68.401 -2.030 18166 1045 1 2 . 1 1 88 88 THR H H 88 8.318 8.318 7.823 0.495 18166 1046 1 2 . 1 1 89 89 ARG N N 89 121.855 121.855 120.084 1.771 18166 1047 1 2 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.335 -0.258 18166 1048 1 2 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.653 1.376 18166 1049 1 2 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.626 -0.353 18166 1050 1 2 . 1 1 89 89 ARG H H 89 8.320 8.320 7.669 0.651 18166 1051 1 2 . 1 1 90 90 LYS N N 90 124.436 124.436 121.479 2.957 18166 1052 1 2 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.183 -0.254 18166 1053 1 2 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.934 0.928 18166 1054 1 2 . 1 1 90 90 LYS H H 90 7.379 7.379 8.164 -0.785 18166 1055 1 2 . 1 1 91 91 ALA N N 91 121.179 121.179 120.087 1.092 18166 1056 1 2 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.906 -0.414 18166 1057 1 2 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.773 0.280 18166 1058 1 2 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.602 -2.157 18166 1059 1 2 . 1 1 91 91 ALA H H 91 8.460 8.460 7.884 0.576 18166 1060 1 2 . 1 1 92 92 ALA N N 92 118.165 118.165 121.543 -3.378 18166 1061 1 2 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.316 -0.192 18166 1062 1 2 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.905 -0.038 18166 1063 1 2 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.555 -0.535 18166 1064 1 2 . 1 1 92 92 ALA H H 92 7.871 7.871 7.630 0.241 18166 1065 1 2 . 1 1 93 93 ALA N N 93 123.065 123.065 121.529 1.536 18166 1066 1 2 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.314 -0.324 18166 1067 1 2 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.802 0.535 18166 1068 1 2 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.577 -1.956 18166 1069 1 2 . 1 1 93 93 ALA H H 93 7.649 7.649 7.737 -0.088 18166 1070 1 2 . 1 1 94 94 LEU N N 94 117.762 117.762 119.545 -1.783 18166 1071 1 2 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.877 0.239 18166 1072 1 2 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.629 0.021 18166 1073 1 2 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.368 0.434 18166 1074 1 2 . 1 1 94 94 LEU H H 94 7.847 7.847 8.212 -0.365 18166 1075 1 2 . 1 1 95 95 GLU N N 95 121.139 121.139 119.235 1.904 18166 1076 1 2 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.199 -0.844 18166 1077 1 2 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.589 -0.461 18166 1078 1 2 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.681 -0.288 18166 1079 1 2 . 1 1 95 95 GLU H H 95 8.971 8.971 8.319 0.652 18166 1080 1 2 . 1 1 96 96 ALA N N 96 124.630 124.630 119.823 4.807 18166 1081 1 2 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.203 -0.252 18166 1082 1 2 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.637 0.935 18166 1083 1 2 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.454 -1.095 18166 1084 1 2 . 1 1 96 96 ALA H H 96 7.890 7.890 7.738 0.152 18166 1085 1 2 . 1 1 97 97 MET N N 97 115.484 115.484 116.720 -1.236 18166 1086 1 2 . 1 1 97 97 MET HA H 97 3.714 3.714 4.468 -0.754 18166 1087 1 2 . 1 1 97 97 MET CA C 97 56.071 56.071 53.869 2.202 18166 1088 1 2 . 1 1 97 97 MET CB C 97 33.654 33.654 32.470 1.184 18166 1089 1 2 . 1 1 97 97 MET H H 97 7.155 7.155 7.480 -0.325 18166 1090 1 2 . 1 1 98 98 LYS N N 98 112.882 112.882 114.872 -1.990 18166 1091 1 2 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.195 -0.465 18166 1092 1 2 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.412 -0.660 18166 1093 1 2 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.260 -1.140 18166 1094 1 2 . 1 1 98 98 LYS H H 98 7.597 7.597 7.600 -0.003 18166 1095 1 2 . 1 1 99 99 ASP N N 99 120.642 120.642 120.539 0.103 18166 1096 1 2 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.720 0.117 18166 1097 1 2 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.300 -2.538 18166 1098 1 2 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.172 -1.493 18166 1099 1 2 . 1 1 99 99 ASP H H 99 7.888 7.888 7.987 -0.099 18166 1100 1 2 . 1 1 100 100 TYR N N 100 117.948 117.948 119.126 -1.178 18166 1101 1 2 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.294 -0.349 18166 1102 1 2 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.492 1.442 18166 1103 1 2 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.035 0.604 18166 1104 1 2 . 1 1 100 100 TYR H H 100 6.984 6.984 7.047 -0.063 18166 1105 1 2 . 1 1 101 101 THR N N 101 113.752 113.752 110.417 3.335 18166 1106 1 2 . 1 1 101 101 THR HA H 101 4.008 4.008 4.014 -0.006 18166 1107 1 2 . 1 1 101 101 THR CA C 101 65.857 65.857 65.648 0.209 18166 1108 1 2 . 1 1 101 101 THR CB C 101 67.689 67.689 68.178 -0.489 18166 1109 1 2 . 1 1 101 101 THR H H 101 8.543 8.543 8.372 0.171 18166 1110 1 2 . 1 1 102 102 LYS N N 102 120.641 120.641 121.463 -0.822 18166 1111 1 2 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.394 -0.252 18166 1112 1 2 . 1 1 102 102 LYS CA C 102 59.086 59.086 58.109 0.977 18166 1113 1 2 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.797 0.382 18166 1114 1 2 . 1 1 102 102 LYS H H 102 7.348 7.348 7.685 -0.337 18166 1115 1 2 . 1 1 103 103 ALA N N 103 120.302 120.302 122.854 -2.552 18166 1116 1 2 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.856 -0.191 18166 1117 1 2 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.260 0.396 18166 1118 1 2 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.564 0.326 18166 1119 1 2 . 1 1 103 103 ALA H H 103 8.344 8.344 8.344 -0.000 18166 1120 1 2 . 1 1 104 104 MET N N 104 116.430 116.430 115.220 1.210 18166 1121 1 2 . 1 1 104 104 MET HA H 104 3.939 3.939 4.524 -0.585 18166 1122 1 2 . 1 1 104 104 MET CA C 104 61.020 61.020 58.865 2.155 18166 1123 1 2 . 1 1 104 104 MET CB C 104 33.904 33.904 32.289 1.615 18166 1124 1 2 . 1 1 104 104 MET H H 104 8.375 8.375 8.244 0.131 18166 1125 1 2 . 1 1 105 105 ASP N N 105 117.449 117.449 121.004 -3.555 18166 1126 1 2 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.423 0.087 18166 1127 1 2 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.443 -0.330 18166 1128 1 2 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.322 -0.113 18166 1129 1 2 . 1 1 105 105 ASP H H 105 7.319 7.319 8.031 -0.712 18166 1130 1 2 . 1 1 106 106 VAL N N 106 121.168 121.168 120.126 1.042 18166 1131 1 2 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.590 0.160 18166 1132 1 2 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.436 0.544 18166 1133 1 2 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.533 -0.772 18166 1134 1 2 . 1 1 106 106 VAL H H 106 7.825 7.825 7.528 0.297 18166 1135 1 2 . 1 1 107 107 TYR N N 107 120.714 120.714 119.255 1.459 18166 1136 1 2 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.094 0.177 18166 1137 1 2 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.454 0.999 18166 1138 1 2 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.542 0.612 18166 1139 1 2 . 1 1 107 107 TYR H H 107 9.215 9.215 8.351 0.864 18166 1140 1 2 . 1 1 108 108 GLN N N 108 117.293 117.293 118.901 -1.608 18166 1141 1 2 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.877 -0.044 18166 1142 1 2 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.828 -0.126 18166 1143 1 2 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.224 0.021 18166 1144 1 2 . 1 1 108 108 GLN H H 108 8.605 8.605 7.704 0.901 18166 1145 1 2 . 1 1 109 109 LYS N N 109 120.342 120.342 118.393 1.949 18166 1146 1 2 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.913 0.089 18166 1147 1 2 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.281 0.256 18166 1148 1 2 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.639 -0.617 18166 1149 1 2 . 1 1 109 109 LYS H H 109 7.571 7.571 7.877 -0.306 18166 1150 1 2 . 1 1 110 110 ALA N N 110 119.851 119.851 122.489 -2.638 18166 1151 1 2 . 1 1 110 110 ALA HA H 110 3.779 3.779 4.032 -0.253 18166 1152 1 2 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.936 0.116 18166 1153 1 2 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.255 -0.567 18166 1154 1 2 . 1 1 110 110 ALA H H 110 7.693 7.693 7.772 -0.079 18166 1155 1 2 . 1 1 111 111 LEU N N 111 117.859 117.859 117.717 0.142 18166 1156 1 2 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.275 -0.198 18166 1157 1 2 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.022 -0.811 18166 1158 1 2 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.751 0.058 18166 1159 1 2 . 1 1 111 111 LEU H H 111 7.811 7.811 8.006 -0.195 18166 1160 1 2 . 1 1 112 112 ASP N N 112 118.421 118.421 118.517 -0.096 18166 1161 1 2 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.439 -0.188 18166 1162 1 2 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.486 -0.723 18166 1163 1 2 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.203 -2.008 18166 1164 1 2 . 1 1 112 112 ASP H H 112 8.099 8.099 7.785 0.314 18166 1165 1 2 . 1 1 113 113 LEU N N 113 120.299 120.299 119.032 1.267 18166 1166 1 2 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.162 -0.005 18166 1167 1 2 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.284 0.250 18166 1168 1 2 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.702 -0.223 18166 1169 1 2 . 1 1 113 113 LEU H H 113 7.319 7.319 7.580 -0.261 18166 1170 1 2 . 1 1 114 114 ASP N N 114 118.196 118.196 115.452 2.744 18166 1171 1 2 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.795 -0.157 18166 1172 1 2 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.718 -0.530 18166 1173 1 2 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.907 -1.640 18166 1174 1 2 . 1 1 114 114 ASP H H 114 8.190 8.190 7.813 0.377 18166 1175 1 2 . 1 1 115 115 SER N N 115 121.421 121.421 120.786 0.635 18166 1176 1 2 . 1 1 115 115 SER HA H 115 4.272 4.272 4.272 -0.000 18166 1177 1 2 . 1 1 115 115 SER CA C 115 60.133 60.133 61.182 -1.049 18166 1178 1 2 . 1 1 115 115 SER CB C 115 62.791 62.791 63.242 -0.451 18166 1179 1 2 . 1 1 115 115 SER H H 115 8.775 8.775 8.566 0.209 18166 1180 1 2 . 1 1 116 116 SER N N 116 116.860 116.860 119.676 -2.816 18166 1181 1 2 . 1 1 116 116 SER HA H 116 4.481 4.481 4.267 0.214 18166 1182 1 2 . 1 1 116 116 SER CA C 116 57.961 57.961 61.041 -3.080 18166 1183 1 2 . 1 1 116 116 SER CB C 116 63.960 63.960 62.806 1.154 18166 1184 1 2 . 1 1 116 116 SER H H 116 8.404 8.404 7.963 0.441 18166 1185 1 2 . 1 1 117 117 CYS N N 117 121.814 121.814 120.231 1.583 18166 1186 1 2 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.221 0.090 18166 1187 1 2 . 1 1 117 117 CYS CA C 117 58.972 58.972 60.664 -1.692 18166 1188 1 2 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.446 -0.580 18166 1189 1 2 . 1 1 117 117 CYS H H 117 7.401 7.401 7.725 -0.324 18166 1190 1 2 . 1 1 118 118 LYS N N 118 105.939 105.939 121.452 -15.513 18166 1191 1 2 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.840 0.132 18166 1192 1 2 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.129 -0.262 18166 1193 1 2 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.284 1.073 18166 1194 1 2 . 1 1 118 118 LYS H H 118 8.647 8.647 8.147 0.500 18166 1195 1 2 . 1 1 119 119 GLU N N 119 117.724 117.724 117.538 0.186 18166 1196 1 2 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.056 0.075 18166 1197 1 2 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.010 -0.010 18166 1198 1 2 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.924 0.548 18166 1199 1 2 . 1 1 119 119 GLU H H 119 8.998 8.998 8.247 0.751 18166 1200 1 2 . 1 1 120 120 ALA N N 120 120.855 120.855 121.649 -0.794 18166 1201 1 2 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.188 0.180 18166 1202 1 2 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.283 -0.977 18166 1203 1 2 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.510 -0.397 18166 1204 1 2 . 1 1 120 120 ALA H H 120 7.494 7.494 7.981 -0.487 18166 1205 1 2 . 1 1 121 121 ALA N N 121 123.265 123.265 121.502 1.763 18166 1206 1 2 . 1 1 121 121 ALA HA H 121 3.995 3.995 3.980 0.015 18166 1207 1 2 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.816 -0.024 18166 1208 1 2 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.351 -0.547 18166 1209 1 2 . 1 1 121 121 ALA H H 121 7.914 7.914 7.535 0.379 18166 1210 1 2 . 1 1 122 122 ASP N N 122 118.732 118.732 118.201 0.531 18166 1211 1 2 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.346 -0.075 18166 1212 1 2 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.155 -0.913 18166 1213 1 2 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.755 -1.640 18166 1214 1 2 . 1 1 122 122 ASP H H 122 8.964 8.964 8.213 0.751 18166 1215 1 2 . 1 1 123 123 GLY N N 123 108.568 108.568 107.372 1.196 18166 1216 1 2 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.500 0.114 18166 1217 1 2 . 1 1 123 123 GLY H H 123 7.572 7.572 7.367 0.205 18166 1218 1 2 . 1 1 124 124 TYR N N 124 122.944 122.944 122.862 0.082 18166 1219 1 2 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.927 -0.313 18166 1220 1 2 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.230 2.954 18166 1221 1 2 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.123 -0.227 18166 1222 1 2 . 1 1 124 124 TYR H H 124 8.162 8.162 7.567 0.595 18166 1223 1 2 . 1 1 125 125 GLN N N 125 115.988 115.988 117.595 -1.607 18166 1224 1 2 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.589 0.286 18166 1225 1 2 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.816 -0.196 18166 1226 1 2 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.838 0.299 18166 1227 1 2 . 1 1 125 125 GLN H H 125 7.510 7.510 7.894 -0.384 18166 1228 1 2 . 1 1 126 126 ARG N N 126 118.626 118.626 120.041 -1.415 18166 1229 1 2 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.011 -0.078 18166 1230 1 2 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.814 1.003 18166 1231 1 2 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.651 1.441 18166 1232 1 2 . 1 1 126 126 ARG H H 126 8.139 8.139 7.759 0.380 18166 1233 1 2 . 1 1 127 127 CYS N N 127 116.985 116.985 117.565 -0.580 18166 1234 1 2 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.029 -0.140 18166 1235 1 2 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.951 1.012 18166 1236 1 2 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.509 0.258 18166 1237 1 2 . 1 1 127 127 CYS H H 127 8.097 8.097 7.677 0.420 18166 1238 1 2 . 1 1 128 128 MET N N 128 120.493 120.493 119.159 1.334 18166 1239 1 2 . 1 1 128 128 MET HA H 128 3.989 3.989 3.852 0.137 18166 1240 1 2 . 1 1 128 128 MET CA C 128 58.420 58.420 58.690 -0.270 18166 1241 1 2 . 1 1 128 128 MET CB C 128 31.539 31.539 31.887 -0.348 18166 1242 1 2 . 1 1 128 128 MET H H 128 8.163 8.163 7.992 0.171 18166 1243 1 2 . 1 1 129 129 MET N N 129 115.583 115.583 115.833 -0.250 18166 1244 1 2 . 1 1 129 129 MET HA H 129 4.211 4.211 4.304 -0.093 18166 1245 1 2 . 1 1 129 129 MET CA C 129 56.677 56.677 57.566 -0.888 18166 1246 1 2 . 1 1 129 129 MET CB C 129 31.951 31.951 32.527 -0.576 18166 1247 1 2 . 1 1 129 129 MET H H 129 7.723 7.723 7.474 0.249 18166 1248 1 2 . 1 1 130 130 ALA N N 130 121.061 121.061 121.394 -0.333 18166 1249 1 2 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.956 -0.048 18166 1250 1 2 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.194 -1.114 18166 1251 1 2 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.018 -1.514 18166 1252 1 2 . 1 1 130 130 ALA H H 130 7.458 7.458 7.343 0.115 18166 1253 1 2 . 1 1 131 131 GLN N N 131 114.560 114.560 116.313 -1.753 18166 1254 1 2 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.153 -0.147 18166 1255 1 2 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.920 -1.117 18166 1256 1 2 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.990 0.115 18166 1257 1 2 . 1 1 131 131 GLN H H 131 7.214 7.214 7.186 0.028 18166 1258 1 2 . 1 1 132 132 TYR N N 132 117.856 117.856 117.846 0.010 18166 1259 1 2 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.701 -0.059 18166 1260 1 2 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.301 2.257 18166 1261 1 2 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.699 1.613 18166 1262 1 2 . 1 1 132 132 TYR H H 132 7.545 7.545 7.322 0.223 18166 1263 1 3 . 1 1 2 2 GLY N N 2 109.986 109.986 112.484 -2.498 18166 1264 1 3 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.510 -0.700 18166 1265 1 3 . 1 1 2 2 GLY H H 2 8.520 8.520 8.796 -0.276 18166 1266 1 3 . 1 1 3 3 HIS N N 3 117.442 117.442 122.276 -4.834 18166 1267 1 3 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.639 -0.019 18166 1268 1 3 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.761 -2.333 18166 1269 1 3 . 1 1 3 3 HIS H H 3 8.406 8.406 8.183 0.223 18166 1270 1 3 . 1 1 4 4 HIS N N 4 118.932 118.932 119.926 -0.994 18166 1271 1 3 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.443 0.185 18166 1272 1 3 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.341 -1.434 18166 1273 1 3 . 1 1 4 4 HIS CB C 4 28.198 28.198 29.645 -1.448 18166 1274 1 3 . 1 1 4 4 HIS H H 4 8.552 8.552 7.751 0.801 18166 1275 1 3 . 1 1 5 5 HIS N N 5 119.580 119.580 119.052 0.528 18166 1276 1 3 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.150 0.498 18166 1277 1 3 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.171 -1.038 18166 1278 1 3 . 1 1 5 5 HIS CB C 5 28.761 28.761 29.244 -0.483 18166 1279 1 3 . 1 1 5 5 HIS H H 5 8.615 8.615 7.846 0.769 18166 1280 1 3 . 1 1 6 6 HIS N N 6 121.369 121.369 124.576 -3.207 18166 1281 1 3 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.258 0.390 18166 1282 1 3 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.128 -0.179 18166 1283 1 3 . 1 1 6 6 HIS CB C 6 29.100 29.100 29.525 -0.425 18166 1284 1 3 . 1 1 6 6 HIS H H 6 8.732 8.732 7.752 0.980 18166 1285 1 3 . 1 1 7 7 HIS N N 7 120.276 120.276 126.436 -6.160 18166 1286 1 3 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.830 -0.188 18166 1287 1 3 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.652 -0.505 18166 1288 1 3 . 1 1 7 7 HIS CB C 7 28.825 28.825 28.246 0.579 18166 1289 1 3 . 1 1 7 7 HIS H H 7 8.708 8.708 8.668 0.040 18166 1290 1 3 . 1 1 8 8 HIS N N 8 120.007 120.007 120.785 -0.778 18166 1291 1 3 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.550 0.146 18166 1292 1 3 . 1 1 8 8 HIS CA C 8 54.861 54.861 54.009 0.852 18166 1293 1 3 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.746 -2.050 18166 1294 1 3 . 1 1 8 8 HIS H H 8 8.708 8.708 7.988 0.720 18166 1295 1 3 . 1 1 9 9 SER N N 9 117.977 117.977 116.525 1.452 18166 1296 1 3 . 1 1 9 9 SER HA H 9 4.404 4.404 4.369 0.035 18166 1297 1 3 . 1 1 9 9 SER CA C 9 57.718 57.718 59.324 -1.606 18166 1298 1 3 . 1 1 9 9 SER CB C 9 63.246 63.246 62.160 1.086 18166 1299 1 3 . 1 1 9 9 SER H H 9 8.535 8.535 8.723 -0.188 18166 1300 1 3 . 1 1 10 10 HIS N N 10 120.441 120.441 126.914 -6.473 18166 1301 1 3 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.657 0.038 18166 1302 1 3 . 1 1 10 10 HIS H H 10 8.744 8.744 8.450 0.294 18166 1303 1 3 . 1 1 11 11 MET N N 11 122.004 122.004 119.909 2.095 18166 1304 1 3 . 1 1 11 11 MET HA H 11 4.427 4.427 4.052 0.375 18166 1305 1 3 . 1 1 11 11 MET CA C 11 54.665 54.665 58.025 -3.360 18166 1306 1 3 . 1 1 11 11 MET CB C 11 32.913 32.913 31.215 1.698 18166 1307 1 3 . 1 1 11 11 MET H H 11 8.443 8.443 8.760 -0.317 18166 1308 1 3 . 1 1 12 12 ASN N N 12 121.852 121.852 119.178 2.674 18166 1309 1 3 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.143 -0.206 18166 1310 1 3 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.394 -0.014 18166 1311 1 3 . 1 1 12 12 ASN CB C 12 38.313 38.313 39.757 -1.444 18166 1312 1 3 . 1 1 12 12 ASN H H 12 8.631 8.631 8.309 0.322 18166 1313 1 3 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.559 -0.199 18166 1314 1 3 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.756 -1.607 18166 1315 1 3 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.149 -0.397 18166 1316 1 3 . 1 1 14 14 ASP N N 14 119.643 119.643 114.278 5.365 18166 1317 1 3 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.683 -0.140 18166 1318 1 3 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.947 0.081 18166 1319 1 3 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.982 -2.220 18166 1320 1 3 . 1 1 14 14 ASP H H 14 8.344 8.344 7.823 0.521 18166 1321 1 3 . 1 1 15 15 LEU N N 15 123.333 123.333 126.470 -3.137 18166 1322 1 3 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.073 0.076 18166 1323 1 3 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.749 -1.306 18166 1324 1 3 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.972 -0.596 18166 1325 1 3 . 1 1 15 15 LEU H H 15 8.119 8.119 8.671 -0.552 18166 1326 1 3 . 1 1 16 16 ALA N N 16 121.879 121.879 120.328 1.551 18166 1327 1 3 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.096 0.018 18166 1328 1 3 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.556 -1.185 18166 1329 1 3 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.695 -0.647 18166 1330 1 3 . 1 1 16 16 ALA H H 16 8.212 8.212 7.944 0.268 18166 1331 1 3 . 1 1 17 17 LEU N N 17 118.990 118.990 116.377 2.613 18166 1332 1 3 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.325 -0.186 18166 1333 1 3 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.619 -1.510 18166 1334 1 3 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.077 -0.701 18166 1335 1 3 . 1 1 17 17 LEU H H 17 7.719 7.719 7.677 0.042 18166 1336 1 3 . 1 1 18 18 MET N N 18 118.534 118.534 118.147 0.387 18166 1337 1 3 . 1 1 18 18 MET HA H 18 4.274 4.274 4.279 -0.004 18166 1338 1 3 . 1 1 18 18 MET CA C 18 56.497 56.497 57.291 -0.794 18166 1339 1 3 . 1 1 18 18 MET CB C 18 31.787 31.787 31.164 0.623 18166 1340 1 3 . 1 1 18 18 MET H H 18 7.996 7.996 7.652 0.344 18166 1341 1 3 . 1 1 19 19 VAL N N 19 119.243 119.243 119.417 -0.174 18166 1342 1 3 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.826 0.007 18166 1343 1 3 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.013 -1.280 18166 1344 1 3 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.578 0.078 18166 1345 1 3 . 1 1 19 19 VAL H H 19 7.915 7.915 7.559 0.356 18166 1346 1 3 . 1 1 20 20 LYS N N 20 123.321 123.321 118.450 4.871 18166 1347 1 3 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.150 -0.173 18166 1348 1 3 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.367 -1.024 18166 1349 1 3 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.798 0.198 18166 1350 1 3 . 1 1 20 20 LYS H H 20 8.139 8.139 7.787 0.352 18166 1351 1 3 . 1 1 21 21 ASN N N 21 118.732 118.732 119.718 -0.986 18166 1352 1 3 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.548 0.030 18166 1353 1 3 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.095 -1.855 18166 1354 1 3 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.161 -0.422 18166 1355 1 3 . 1 1 21 21 ASN H H 21 8.349 8.349 7.913 0.436 18166 1356 1 3 . 1 1 22 22 LYS N N 22 121.941 121.941 120.510 1.431 18166 1357 1 3 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.347 -0.323 18166 1358 1 3 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.315 -0.005 18166 1359 1 3 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.377 0.142 18166 1360 1 3 . 1 1 22 22 LYS H H 22 8.185 8.185 7.352 0.833 18166 1361 1 3 . 1 1 23 23 GLY N N 23 107.792 107.792 107.843 -0.051 18166 1362 1 3 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.546 1.220 18166 1363 1 3 . 1 1 23 23 GLY H H 23 8.336 8.336 8.148 0.188 18166 1364 1 3 . 1 1 24 24 ASN N N 24 120.049 120.049 120.825 -0.776 18166 1365 1 3 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.697 -0.113 18166 1366 1 3 . 1 1 24 24 ASN CA C 24 55.201 55.201 56.023 -0.822 18166 1367 1 3 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.953 -1.383 18166 1368 1 3 . 1 1 24 24 ASN H H 24 8.337 8.337 7.967 0.370 18166 1369 1 3 . 1 1 25 25 GLU N N 25 121.510 121.510 119.539 1.971 18166 1370 1 3 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.103 -0.056 18166 1371 1 3 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.066 -0.090 18166 1372 1 3 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.412 -0.309 18166 1373 1 3 . 1 1 25 25 GLU H H 25 8.366 8.366 8.078 0.288 18166 1374 1 3 . 1 1 26 26 CYS N N 26 116.512 116.512 118.543 -2.031 18166 1375 1 3 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.018 0.084 18166 1376 1 3 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.248 -0.244 18166 1377 1 3 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.013 0.243 18166 1378 1 3 . 1 1 26 26 CYS H H 26 8.092 8.092 7.914 0.178 18166 1379 1 3 . 1 1 27 27 PHE N N 27 122.066 122.066 120.231 1.835 18166 1380 1 3 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.514 -0.762 18166 1381 1 3 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.724 0.756 18166 1382 1 3 . 1 1 27 27 PHE CB C 27 39.902 39.902 39.072 0.830 18166 1383 1 3 . 1 1 27 27 PHE H H 27 8.756 8.756 7.753 1.003 18166 1384 1 3 . 1 1 28 28 GLN N N 28 119.430 119.430 118.507 0.923 18166 1385 1 3 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.027 -0.011 18166 1386 1 3 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.997 0.128 18166 1387 1 3 . 1 1 28 28 GLN CB C 28 28.210 28.210 27.846 0.363 18166 1388 1 3 . 1 1 28 28 GLN H H 28 8.574 8.574 8.049 0.525 18166 1389 1 3 . 1 1 29 29 LYS N N 29 116.011 116.011 118.260 -2.249 18166 1390 1 3 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.280 -0.036 18166 1391 1 3 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.636 0.462 18166 1392 1 3 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.363 0.173 18166 1393 1 3 . 1 1 29 29 LYS H H 29 7.410 7.410 7.572 -0.162 18166 1394 1 3 . 1 1 30 30 GLY N N 30 107.636 107.636 107.534 0.102 18166 1395 1 3 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.826 -0.243 18166 1396 1 3 . 1 1 30 30 GLY H H 30 7.566 7.566 7.858 -0.292 18166 1397 1 3 . 1 1 31 31 ASP N N 31 120.587 120.587 121.413 -0.826 18166 1398 1 3 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.838 -0.170 18166 1399 1 3 . 1 1 31 31 ASP CA C 31 51.041 51.041 55.210 -4.169 18166 1400 1 3 . 1 1 31 31 ASP CB C 31 38.718 38.718 41.477 -2.759 18166 1401 1 3 . 1 1 31 31 ASP H H 31 7.826 7.826 7.610 0.216 18166 1402 1 3 . 1 1 32 32 TYR N N 32 120.190 120.190 122.735 -2.545 18166 1403 1 3 . 1 1 32 32 TYR HA H 32 3.772 3.772 5.000 -1.228 18166 1404 1 3 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.248 1.006 18166 1405 1 3 . 1 1 32 32 TYR H H 32 7.313 7.313 8.918 -1.605 18166 1406 1 3 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.407 -0.187 18166 1407 1 3 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.530 0.825 18166 1408 1 3 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.901 -0.615 18166 1409 1 3 . 1 1 34 34 GLN N N 34 115.797 115.797 116.682 -0.885 18166 1410 1 3 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.953 -0.028 18166 1411 1 3 . 1 1 34 34 GLN CA C 34 58.164 58.164 59.246 -1.083 18166 1412 1 3 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.408 0.970 18166 1413 1 3 . 1 1 34 34 GLN H H 34 7.278 7.278 9.002 -1.724 18166 1414 1 3 . 1 1 35 35 ALA N N 35 121.852 121.852 121.221 0.631 18166 1415 1 3 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.044 0.028 18166 1416 1 3 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.872 0.725 18166 1417 1 3 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.931 0.614 18166 1418 1 3 . 1 1 35 35 ALA H H 35 8.376 8.376 8.482 -0.106 18166 1419 1 3 . 1 1 36 36 MET N N 36 116.867 116.867 117.434 -0.567 18166 1420 1 3 . 1 1 36 36 MET HA H 36 3.887 3.887 4.134 -0.247 18166 1421 1 3 . 1 1 36 36 MET CA C 36 59.400 59.400 58.838 0.562 18166 1422 1 3 . 1 1 36 36 MET CB C 36 30.626 30.626 32.413 -1.787 18166 1423 1 3 . 1 1 36 36 MET H H 36 8.538 8.538 7.583 0.955 18166 1424 1 3 . 1 1 37 37 LYS N N 37 122.037 122.037 119.001 3.036 18166 1425 1 3 . 1 1 37 37 LYS HA H 37 3.912 3.912 3.977 -0.065 18166 1426 1 3 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.242 -0.017 18166 1427 1 3 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.097 0.099 18166 1428 1 3 . 1 1 37 37 LYS H H 37 7.599 7.599 7.625 -0.026 18166 1429 1 3 . 1 1 38 38 HIS N N 38 117.718 117.718 118.003 -0.285 18166 1430 1 3 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.675 -0.040 18166 1431 1 3 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.434 -0.434 18166 1432 1 3 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.554 -1.554 18166 1433 1 3 . 1 1 38 38 HIS H H 38 7.908 7.908 7.822 0.086 18166 1434 1 3 . 1 1 39 39 TYR N N 39 118.987 118.987 117.958 1.029 18166 1435 1 3 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.448 0.017 18166 1436 1 3 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.158 0.095 18166 1437 1 3 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.592 -0.801 18166 1438 1 3 . 1 1 39 39 TYR H H 39 9.156 9.156 7.939 1.217 18166 1439 1 3 . 1 1 40 40 THR N N 40 117.147 117.147 116.942 0.205 18166 1440 1 3 . 1 1 40 40 THR HA H 40 3.872 3.872 3.874 -0.002 18166 1441 1 3 . 1 1 40 40 THR CA C 40 67.449 67.449 67.118 0.331 18166 1442 1 3 . 1 1 40 40 THR CB C 40 68.728 68.728 68.454 0.274 18166 1443 1 3 . 1 1 40 40 THR H H 40 8.476 8.476 7.901 0.575 18166 1444 1 3 . 1 1 41 41 GLU N N 41 122.067 122.067 120.610 1.457 18166 1445 1 3 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.049 -0.070 18166 1446 1 3 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.079 -0.334 18166 1447 1 3 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.129 -0.406 18166 1448 1 3 . 1 1 41 41 GLU H H 41 7.762 7.762 8.072 -0.310 18166 1449 1 3 . 1 1 42 42 ALA N N 42 122.040 122.040 122.393 -0.353 18166 1450 1 3 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.118 -0.149 18166 1451 1 3 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.556 0.613 18166 1452 1 3 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.502 -0.132 18166 1453 1 3 . 1 1 42 42 ALA H H 42 8.191 8.191 7.352 0.839 18166 1454 1 3 . 1 1 43 43 ILE N N 43 122.662 122.662 118.765 3.897 18166 1455 1 3 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.723 -0.407 18166 1456 1 3 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.846 0.752 18166 1457 1 3 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.335 1.152 18166 1458 1 3 . 1 1 43 43 ILE H H 43 8.427 8.427 7.931 0.496 18166 1459 1 3 . 1 1 44 44 LYS N N 44 117.349 117.349 117.962 -0.613 18166 1460 1 3 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.011 -0.070 18166 1461 1 3 . 1 1 44 44 LYS CA C 44 58.701 58.701 58.328 0.373 18166 1462 1 3 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.931 0.060 18166 1463 1 3 . 1 1 44 44 LYS H H 44 7.473 7.473 7.450 0.023 18166 1464 1 3 . 1 1 45 45 ARG N N 45 114.723 114.723 116.261 -1.538 18166 1465 1 3 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.248 -0.075 18166 1466 1 3 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.157 0.249 18166 1467 1 3 . 1 1 45 45 ARG CB C 45 30.337 30.337 30.842 -0.505 18166 1468 1 3 . 1 1 45 45 ARG H H 45 7.150 7.150 7.606 -0.456 18166 1469 1 3 . 1 1 46 46 ASN N N 46 115.919 115.919 116.441 -0.522 18166 1470 1 3 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.102 -0.029 18166 1471 1 3 . 1 1 46 46 ASN CA C 46 51.157 51.157 50.723 0.434 18166 1472 1 3 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.244 -0.613 18166 1473 1 3 . 1 1 46 46 ASN H H 46 7.885 7.885 8.069 -0.184 18166 1474 1 3 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.798 -0.066 18166 1475 1 3 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.222 -0.017 18166 1476 1 3 . 1 1 47 47 PRO CB C 47 31.954 31.954 31.872 0.082 18166 1477 1 3 . 1 1 48 48 LYS N N 48 118.494 118.494 115.134 3.360 18166 1478 1 3 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.351 0.284 18166 1479 1 3 . 1 1 48 48 LYS CA C 48 55.000 55.000 55.255 -0.255 18166 1480 1 3 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.448 -1.021 18166 1481 1 3 . 1 1 48 48 LYS H H 48 8.154 8.154 8.120 0.034 18166 1482 1 3 . 1 1 49 49 ASP N N 49 119.387 119.387 122.728 -3.341 18166 1483 1 3 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.915 -0.225 18166 1484 1 3 . 1 1 49 49 ASP CA C 49 52.878 52.878 52.846 0.032 18166 1485 1 3 . 1 1 49 49 ASP CB C 49 40.026 40.026 41.104 -1.078 18166 1486 1 3 . 1 1 49 49 ASP H H 49 7.317 7.317 7.689 -0.372 18166 1487 1 3 . 1 1 50 50 ALA N N 50 128.206 128.206 125.624 2.582 18166 1488 1 3 . 1 1 50 50 ALA HA H 50 4.041 4.041 3.889 0.152 18166 1489 1 3 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.831 0.733 18166 1490 1 3 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.350 1.740 18166 1491 1 3 . 1 1 50 50 ALA H H 50 8.466 8.466 8.049 0.417 18166 1492 1 3 . 1 1 51 51 LYS N N 51 113.628 113.628 116.138 -2.510 18166 1493 1 3 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.483 -0.606 18166 1494 1 3 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.420 0.894 18166 1495 1 3 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.263 0.057 18166 1496 1 3 . 1 1 51 51 LYS H H 51 7.985 7.985 8.087 -0.102 18166 1497 1 3 . 1 1 52 52 LEU N N 52 117.207 117.207 120.257 -3.050 18166 1498 1 3 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.961 -0.289 18166 1499 1 3 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.324 -0.046 18166 1500 1 3 . 1 1 52 52 LEU CB C 52 42.092 42.092 41.159 0.933 18166 1501 1 3 . 1 1 52 52 LEU H H 52 7.323 7.323 7.664 -0.341 18166 1502 1 3 . 1 1 53 53 TYR N N 53 116.167 116.167 117.547 -1.380 18166 1503 1 3 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.017 -0.139 18166 1504 1 3 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.568 0.005 18166 1505 1 3 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.761 0.386 18166 1506 1 3 . 1 1 53 53 TYR H H 53 6.955 6.955 7.780 -0.825 18166 1507 1 3 . 1 1 54 54 SER N N 54 112.799 112.799 113.974 -1.175 18166 1508 1 3 . 1 1 54 54 SER HA H 54 3.976 3.976 4.136 -0.160 18166 1509 1 3 . 1 1 54 54 SER CA C 54 61.200 61.200 60.608 0.592 18166 1510 1 3 . 1 1 54 54 SER CB C 54 62.184 62.184 62.694 -0.510 18166 1511 1 3 . 1 1 54 54 SER H H 54 7.661 7.661 8.215 -0.554 18166 1512 1 3 . 1 1 55 55 ASN N N 55 119.126 119.126 120.094 -0.968 18166 1513 1 3 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.155 -0.056 18166 1514 1 3 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.402 -0.161 18166 1515 1 3 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.025 -0.748 18166 1516 1 3 . 1 1 55 55 ASN H H 55 7.729 7.729 7.254 0.475 18166 1517 1 3 . 1 1 56 56 ARG N N 56 122.589 122.589 120.182 2.407 18166 1518 1 3 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.620 0.513 18166 1519 1 3 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.406 2.154 18166 1520 1 3 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.891 -0.822 18166 1521 1 3 . 1 1 56 56 ARG H H 56 8.329 8.329 7.298 1.031 18166 1522 1 3 . 1 1 57 57 ALA N N 57 122.569 122.569 121.005 1.564 18166 1523 1 3 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.280 -0.020 18166 1524 1 3 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.906 1.169 18166 1525 1 3 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.385 1.504 18166 1526 1 3 . 1 1 57 57 ALA H H 57 8.857 8.857 7.849 1.008 18166 1527 1 3 . 1 1 58 58 ALA N N 58 120.015 120.015 120.472 -0.457 18166 1528 1 3 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.090 -0.007 18166 1529 1 3 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.598 0.452 18166 1530 1 3 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.013 -0.189 18166 1531 1 3 . 1 1 58 58 ALA H H 58 7.574 7.574 7.829 -0.255 18166 1532 1 3 . 1 1 59 59 CYS N N 59 117.074 117.074 117.641 -0.567 18166 1533 1 3 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.172 -0.110 18166 1534 1 3 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.091 1.154 18166 1535 1 3 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.697 -0.870 18166 1536 1 3 . 1 1 59 59 CYS H H 59 7.523 7.523 7.208 0.315 18166 1537 1 3 . 1 1 60 60 TYR N N 60 118.554 118.554 119.367 -0.813 18166 1538 1 3 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.104 0.183 18166 1539 1 3 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.106 0.798 18166 1540 1 3 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.407 0.870 18166 1541 1 3 . 1 1 60 60 TYR H H 60 8.684 8.684 8.150 0.534 18166 1542 1 3 . 1 1 61 61 THR N N 61 116.951 116.951 111.841 5.110 18166 1543 1 3 . 1 1 61 61 THR HA H 61 4.264 4.264 2.749 1.515 18166 1544 1 3 . 1 1 61 61 THR CA C 61 67.645 67.645 65.216 2.429 18166 1545 1 3 . 1 1 61 61 THR CB C 61 67.784 67.784 68.187 -0.403 18166 1546 1 3 . 1 1 61 61 THR H H 61 8.572 8.572 7.758 0.814 18166 1547 1 3 . 1 1 62 62 LYS N N 62 122.578 122.578 122.123 0.455 18166 1548 1 3 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.148 -0.224 18166 1549 1 3 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.538 -1.332 18166 1550 1 3 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.180 -1.386 18166 1551 1 3 . 1 1 62 62 LYS H H 62 7.410 7.410 7.699 -0.289 18166 1552 1 3 . 1 1 63 63 LEU N N 63 117.404 117.404 118.712 -1.308 18166 1553 1 3 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.284 -0.068 18166 1554 1 3 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.173 -1.128 18166 1555 1 3 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.275 -0.632 18166 1556 1 3 . 1 1 63 63 LEU H H 63 7.397 7.397 7.572 -0.175 18166 1557 1 3 . 1 1 64 64 LEU N N 64 113.668 113.668 114.540 -0.872 18166 1558 1 3 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.215 -1.245 18166 1559 1 3 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.401 -1.583 18166 1560 1 3 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.210 -1.959 18166 1561 1 3 . 1 1 64 64 LEU H H 64 7.457 7.457 7.635 -0.178 18166 1562 1 3 . 1 1 65 65 GLU N N 65 120.636 120.636 119.949 0.687 18166 1563 1 3 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.417 -0.014 18166 1564 1 3 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.042 -1.812 18166 1565 1 3 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.199 -0.109 18166 1566 1 3 . 1 1 65 65 GLU H H 65 8.085 8.085 8.267 -0.182 18166 1567 1 3 . 1 1 66 66 PHE N N 66 118.292 118.292 120.486 -2.194 18166 1568 1 3 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.088 -0.062 18166 1569 1 3 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.149 -1.160 18166 1570 1 3 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.680 -0.397 18166 1571 1 3 . 1 1 66 66 PHE H H 66 6.812 6.812 7.809 -0.997 18166 1572 1 3 . 1 1 67 67 GLN N N 67 117.166 117.166 117.550 -0.384 18166 1573 1 3 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.011 -0.028 18166 1574 1 3 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.803 -0.125 18166 1575 1 3 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.963 -1.119 18166 1576 1 3 . 1 1 67 67 GLN H H 67 8.589 8.589 8.531 0.058 18166 1577 1 3 . 1 1 68 68 LEU N N 68 119.871 119.871 119.627 0.244 18166 1578 1 3 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.935 -0.169 18166 1579 1 3 . 1 1 68 68 LEU CA C 68 57.475 57.475 57.022 0.453 18166 1580 1 3 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.819 -2.799 18166 1581 1 3 . 1 1 68 68 LEU H H 68 7.422 7.422 7.810 -0.388 18166 1582 1 3 . 1 1 69 69 ALA N N 69 121.380 121.380 121.487 -0.107 18166 1583 1 3 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.191 -0.058 18166 1584 1 3 . 1 1 69 69 ALA CA C 69 55.828 55.828 54.904 0.924 18166 1585 1 3 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.449 0.058 18166 1586 1 3 . 1 1 69 69 ALA H H 69 7.871 7.871 7.664 0.207 18166 1587 1 3 . 1 1 70 70 LEU N N 70 118.569 118.569 118.841 -0.272 18166 1588 1 3 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.967 -0.153 18166 1589 1 3 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.594 0.985 18166 1590 1 3 . 1 1 70 70 LEU CB C 70 40.926 40.926 42.023 -1.097 18166 1591 1 3 . 1 1 70 70 LEU H H 70 8.519 8.519 7.939 0.580 18166 1592 1 3 . 1 1 71 71 LYS N N 71 119.700 119.700 118.147 1.553 18166 1593 1 3 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.901 0.076 18166 1594 1 3 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.450 -0.256 18166 1595 1 3 . 1 1 71 71 LYS H H 71 7.619 7.619 8.056 -0.437 18166 1596 1 3 . 1 1 72 72 ASP N N 72 121.506 121.506 120.129 1.377 18166 1597 1 3 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.390 0.224 18166 1598 1 3 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.459 -0.166 18166 1599 1 3 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.031 -1.049 18166 1600 1 3 . 1 1 72 72 ASP H H 72 7.460 7.460 8.326 -0.866 18166 1601 1 3 . 1 1 73 73 CYS N N 73 118.302 118.302 118.278 0.024 18166 1602 1 3 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.139 -0.305 18166 1603 1 3 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.186 3.501 18166 1604 1 3 . 1 1 73 73 CYS CB C 73 26.546 26.546 26.899 -0.353 18166 1605 1 3 . 1 1 73 73 CYS H H 73 8.366 8.366 7.651 0.715 18166 1606 1 3 . 1 1 74 74 GLU N N 74 117.660 117.660 120.094 -2.434 18166 1607 1 3 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.017 -0.116 18166 1608 1 3 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.062 -0.849 18166 1609 1 3 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.321 -1.305 18166 1610 1 3 . 1 1 74 74 GLU H H 74 8.244 8.244 8.068 0.176 18166 1611 1 3 . 1 1 75 75 GLU N N 75 119.807 119.807 117.279 2.528 18166 1612 1 3 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.198 -0.305 18166 1613 1 3 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.821 0.328 18166 1614 1 3 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.727 -3.053 18166 1615 1 3 . 1 1 75 75 GLU H H 75 7.394 7.394 7.845 -0.451 18166 1616 1 3 . 1 1 76 76 CYS N N 76 118.342 118.342 119.140 -0.798 18166 1617 1 3 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.877 -0.036 18166 1618 1 3 . 1 1 76 76 CYS CA C 76 64.303 64.303 62.748 1.555 18166 1619 1 3 . 1 1 76 76 CYS CB C 76 26.371 26.371 27.335 -0.964 18166 1620 1 3 . 1 1 76 76 CYS H H 76 7.852 7.852 7.970 -0.118 18166 1621 1 3 . 1 1 77 77 ILE N N 77 117.728 117.728 120.764 -3.036 18166 1622 1 3 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.135 -0.655 18166 1623 1 3 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.840 0.369 18166 1624 1 3 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.890 0.659 18166 1625 1 3 . 1 1 77 77 ILE H H 77 7.897 7.897 7.369 0.528 18166 1626 1 3 . 1 1 78 78 GLN N N 78 117.037 117.037 117.185 -0.148 18166 1627 1 3 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.166 -0.261 18166 1628 1 3 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.440 0.774 18166 1629 1 3 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.725 -0.375 18166 1630 1 3 . 1 1 78 78 GLN H H 78 7.655 7.655 7.686 -0.031 18166 1631 1 3 . 1 1 79 79 LEU N N 79 118.180 118.180 118.414 -0.234 18166 1632 1 3 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.139 -0.044 18166 1633 1 3 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.147 0.368 18166 1634 1 3 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.000 1.044 18166 1635 1 3 . 1 1 79 79 LEU H H 79 8.021 8.021 7.140 0.881 18166 1636 1 3 . 1 1 80 80 GLU N N 80 117.250 117.250 116.599 0.651 18166 1637 1 3 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.655 0.181 18166 1638 1 3 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.513 0.029 18166 1639 1 3 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.852 -0.073 18166 1640 1 3 . 1 1 80 80 GLU H H 80 8.403 8.403 7.607 0.796 18166 1641 1 3 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.851 0.015 18166 1642 1 3 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.882 -0.137 18166 1643 1 3 . 1 1 81 81 PRO CB C 81 31.752 31.752 33.121 -1.369 18166 1644 1 3 . 1 1 82 82 THR N N 82 107.443 107.443 111.702 -4.259 18166 1645 1 3 . 1 1 82 82 THR HA H 82 4.607 4.607 4.430 0.177 18166 1646 1 3 . 1 1 82 82 THR CA C 82 61.139 61.139 60.692 0.447 18166 1647 1 3 . 1 1 82 82 THR CB C 82 68.785 68.785 68.592 0.193 18166 1648 1 3 . 1 1 82 82 THR H H 82 8.129 8.129 8.106 0.023 18166 1649 1 3 . 1 1 83 83 PHE N N 83 123.490 123.490 119.842 3.648 18166 1650 1 3 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.628 0.502 18166 1651 1 3 . 1 1 83 83 PHE CA C 83 55.712 55.712 55.904 -0.192 18166 1652 1 3 . 1 1 83 83 PHE CB C 83 38.263 38.263 39.119 -0.856 18166 1653 1 3 . 1 1 83 83 PHE H H 83 8.022 8.022 7.845 0.177 18166 1654 1 3 . 1 1 84 84 ILE N N 84 131.837 131.837 123.524 8.313 18166 1655 1 3 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.842 0.108 18166 1656 1 3 . 1 1 84 84 ILE CA C 84 64.230 64.230 63.240 0.990 18166 1657 1 3 . 1 1 84 84 ILE CB C 84 37.969 37.969 38.313 -0.344 18166 1658 1 3 . 1 1 84 84 ILE H H 84 8.955 8.955 8.400 0.555 18166 1659 1 3 . 1 1 85 85 LYS N N 85 115.465 115.465 120.715 -5.250 18166 1660 1 3 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.181 0.277 18166 1661 1 3 . 1 1 85 85 LYS CA C 85 56.336 56.336 56.828 -0.492 18166 1662 1 3 . 1 1 85 85 LYS CB C 85 31.481 31.481 30.264 1.217 18166 1663 1 3 . 1 1 85 85 LYS H H 85 6.000 6.000 8.047 -2.047 18166 1664 1 3 . 1 1 86 86 GLY N N 86 103.958 103.958 110.599 -6.641 18166 1665 1 3 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.269 1.892 18166 1666 1 3 . 1 1 86 86 GLY H H 86 6.966 6.966 8.249 -1.284 18166 1667 1 3 . 1 1 87 87 TYR N N 87 115.851 115.851 122.342 -6.491 18166 1668 1 3 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.137 -0.197 18166 1669 1 3 . 1 1 87 87 TYR CA C 87 60.197 60.197 62.123 -1.926 18166 1670 1 3 . 1 1 87 87 TYR CB C 87 38.233 38.233 38.305 -0.072 18166 1671 1 3 . 1 1 87 87 TYR H H 87 6.814 6.814 7.538 -0.724 18166 1672 1 3 . 1 1 88 88 THR N N 88 109.840 109.840 114.053 -4.213 18166 1673 1 3 . 1 1 88 88 THR HA H 88 4.328 4.328 3.991 0.337 18166 1674 1 3 . 1 1 88 88 THR CA C 88 66.353 66.353 67.222 -0.870 18166 1675 1 3 . 1 1 88 88 THR CB C 88 66.371 66.371 68.591 -2.220 18166 1676 1 3 . 1 1 88 88 THR H H 88 8.318 8.318 7.924 0.394 18166 1677 1 3 . 1 1 89 89 ARG N N 89 121.855 121.855 119.016 2.839 18166 1678 1 3 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.285 -0.208 18166 1679 1 3 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.920 1.109 18166 1680 1 3 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.226 0.047 18166 1681 1 3 . 1 1 89 89 ARG H H 89 8.320 8.320 8.256 0.064 18166 1682 1 3 . 1 1 90 90 LYS N N 90 124.436 124.436 121.356 3.080 18166 1683 1 3 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.119 -0.190 18166 1684 1 3 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.640 1.222 18166 1685 1 3 . 1 1 90 90 LYS H H 90 7.379 7.379 8.283 -0.904 18166 1686 1 3 . 1 1 91 91 ALA N N 91 121.179 121.179 120.223 0.956 18166 1687 1 3 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.913 -0.421 18166 1688 1 3 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.613 0.440 18166 1689 1 3 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.561 -2.116 18166 1690 1 3 . 1 1 91 91 ALA H H 91 8.460 8.460 7.917 0.543 18166 1691 1 3 . 1 1 92 92 ALA N N 92 118.165 118.165 121.433 -3.268 18166 1692 1 3 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.315 -0.191 18166 1693 1 3 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.707 0.160 18166 1694 1 3 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.645 -0.625 18166 1695 1 3 . 1 1 92 92 ALA H H 92 7.871 7.871 7.608 0.263 18166 1696 1 3 . 1 1 93 93 ALA N N 93 123.065 123.065 121.676 1.389 18166 1697 1 3 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.425 -0.435 18166 1698 1 3 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.844 0.493 18166 1699 1 3 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.549 -1.928 18166 1700 1 3 . 1 1 93 93 ALA H H 93 7.649 7.649 7.731 -0.082 18166 1701 1 3 . 1 1 94 94 LEU N N 94 117.762 117.762 119.303 -1.541 18166 1702 1 3 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.864 0.252 18166 1703 1 3 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.681 -0.031 18166 1704 1 3 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.573 0.229 18166 1705 1 3 . 1 1 94 94 LEU H H 94 7.847 7.847 8.164 -0.317 18166 1706 1 3 . 1 1 95 95 GLU N N 95 121.139 121.139 118.587 2.552 18166 1707 1 3 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.059 -0.704 18166 1708 1 3 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.139 -0.011 18166 1709 1 3 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.877 -0.484 18166 1710 1 3 . 1 1 95 95 GLU H H 95 8.971 8.971 8.198 0.773 18166 1711 1 3 . 1 1 96 96 ALA N N 96 124.630 124.630 119.128 5.502 18166 1712 1 3 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.091 -0.140 18166 1713 1 3 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.600 0.972 18166 1714 1 3 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.516 -1.157 18166 1715 1 3 . 1 1 96 96 ALA H H 96 7.890 7.890 7.516 0.374 18166 1716 1 3 . 1 1 97 97 MET N N 97 115.484 115.484 116.844 -1.360 18166 1717 1 3 . 1 1 97 97 MET HA H 97 3.714 3.714 4.433 -0.719 18166 1718 1 3 . 1 1 97 97 MET CA C 97 56.071 56.071 53.912 2.159 18166 1719 1 3 . 1 1 97 97 MET CB C 97 33.654 33.654 32.257 1.397 18166 1720 1 3 . 1 1 97 97 MET H H 97 7.155 7.155 7.456 -0.301 18166 1721 1 3 . 1 1 98 98 LYS N N 98 112.882 112.882 114.739 -1.857 18166 1722 1 3 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.200 -0.470 18166 1723 1 3 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.361 -0.609 18166 1724 1 3 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.165 -1.045 18166 1725 1 3 . 1 1 98 98 LYS H H 98 7.597 7.597 7.473 0.124 18166 1726 1 3 . 1 1 99 99 ASP N N 99 120.642 120.642 120.766 -0.124 18166 1727 1 3 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.691 0.146 18166 1728 1 3 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.590 -2.828 18166 1729 1 3 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.025 -1.346 18166 1730 1 3 . 1 1 99 99 ASP H H 99 7.888 7.888 8.020 -0.132 18166 1731 1 3 . 1 1 100 100 TYR N N 100 117.948 117.948 119.723 -1.775 18166 1732 1 3 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.257 -0.312 18166 1733 1 3 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.407 1.527 18166 1734 1 3 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.367 0.272 18166 1735 1 3 . 1 1 100 100 TYR H H 100 6.984 6.984 7.225 -0.241 18166 1736 1 3 . 1 1 101 101 THR N N 101 113.752 113.752 109.271 4.481 18166 1737 1 3 . 1 1 101 101 THR HA H 101 4.008 4.008 4.121 -0.113 18166 1738 1 3 . 1 1 101 101 THR CA C 101 65.857 65.857 64.998 0.859 18166 1739 1 3 . 1 1 101 101 THR CB C 101 67.689 67.689 68.458 -0.769 18166 1740 1 3 . 1 1 101 101 THR H H 101 8.543 8.543 8.485 0.058 18166 1741 1 3 . 1 1 102 102 LYS N N 102 120.641 120.641 119.954 0.687 18166 1742 1 3 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.378 -0.236 18166 1743 1 3 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.215 1.871 18166 1744 1 3 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.135 0.044 18166 1745 1 3 . 1 1 102 102 LYS H H 102 7.348 7.348 7.643 -0.295 18166 1746 1 3 . 1 1 103 103 ALA N N 103 120.302 120.302 123.583 -3.281 18166 1747 1 3 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.872 -0.207 18166 1748 1 3 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.343 0.312 18166 1749 1 3 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.527 0.361 18166 1750 1 3 . 1 1 103 103 ALA H H 103 8.344 8.344 8.398 -0.054 18166 1751 1 3 . 1 1 104 104 MET N N 104 116.430 116.430 115.174 1.256 18166 1752 1 3 . 1 1 104 104 MET HA H 104 3.939 3.939 4.421 -0.482 18166 1753 1 3 . 1 1 104 104 MET CA C 104 61.020 61.020 59.425 1.595 18166 1754 1 3 . 1 1 104 104 MET CB C 104 33.904 33.904 32.328 1.576 18166 1755 1 3 . 1 1 104 104 MET H H 104 8.375 8.375 8.433 -0.058 18166 1756 1 3 . 1 1 105 105 ASP N N 105 117.449 117.449 120.253 -2.804 18166 1757 1 3 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.445 0.065 18166 1758 1 3 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.955 -0.842 18166 1759 1 3 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.599 -0.390 18166 1760 1 3 . 1 1 105 105 ASP H H 105 7.319 7.319 7.996 -0.677 18166 1761 1 3 . 1 1 106 106 VAL N N 106 121.168 121.168 120.344 0.824 18166 1762 1 3 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.883 -0.133 18166 1763 1 3 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.388 0.593 18166 1764 1 3 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.314 -0.553 18166 1765 1 3 . 1 1 106 106 VAL H H 106 7.825 7.825 7.541 0.284 18166 1766 1 3 . 1 1 107 107 TYR N N 107 120.714 120.714 119.539 1.175 18166 1767 1 3 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.142 0.129 18166 1768 1 3 . 1 1 107 107 TYR CA C 107 62.453 62.453 62.004 0.449 18166 1769 1 3 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.312 0.842 18166 1770 1 3 . 1 1 107 107 TYR H H 107 9.215 9.215 8.605 0.610 18166 1771 1 3 . 1 1 108 108 GLN N N 108 117.293 117.293 118.272 -0.979 18166 1772 1 3 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.889 -0.056 18166 1773 1 3 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.786 -0.084 18166 1774 1 3 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.205 0.040 18166 1775 1 3 . 1 1 108 108 GLN H H 108 8.605 8.605 7.771 0.834 18166 1776 1 3 . 1 1 109 109 LYS N N 109 120.342 120.342 118.709 1.633 18166 1777 1 3 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.975 0.027 18166 1778 1 3 . 1 1 109 109 LYS CA C 109 58.537 58.537 57.821 0.716 18166 1779 1 3 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.725 -0.703 18166 1780 1 3 . 1 1 109 109 LYS H H 109 7.571 7.571 7.950 -0.379 18166 1781 1 3 . 1 1 110 110 ALA N N 110 119.851 119.851 122.826 -2.975 18166 1782 1 3 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.770 0.009 18166 1783 1 3 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.011 0.041 18166 1784 1 3 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.294 -0.606 18166 1785 1 3 . 1 1 110 110 ALA H H 110 7.693 7.693 7.744 -0.051 18166 1786 1 3 . 1 1 111 111 LEU N N 111 117.859 117.859 117.277 0.582 18166 1787 1 3 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.134 -0.057 18166 1788 1 3 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.321 -1.110 18166 1789 1 3 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.654 0.155 18166 1790 1 3 . 1 1 111 111 LEU H H 111 7.811 7.811 7.883 -0.072 18166 1791 1 3 . 1 1 112 112 ASP N N 112 118.421 118.421 118.653 -0.232 18166 1792 1 3 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.377 -0.126 18166 1793 1 3 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.708 -0.946 18166 1794 1 3 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.273 -2.078 18166 1795 1 3 . 1 1 112 112 ASP H H 112 8.099 8.099 7.689 0.410 18166 1796 1 3 . 1 1 113 113 LEU N N 113 120.299 120.299 118.652 1.647 18166 1797 1 3 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.065 0.092 18166 1798 1 3 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.547 -0.013 18166 1799 1 3 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.532 -0.053 18166 1800 1 3 . 1 1 113 113 LEU H H 113 7.319 7.319 7.536 -0.217 18166 1801 1 3 . 1 1 114 114 ASP N N 114 118.196 118.196 114.228 3.968 18166 1802 1 3 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.737 -0.099 18166 1803 1 3 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.643 -0.455 18166 1804 1 3 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.352 -2.084 18166 1805 1 3 . 1 1 114 114 ASP H H 114 8.190 8.190 7.579 0.611 18166 1806 1 3 . 1 1 115 115 SER N N 115 121.421 121.421 120.173 1.248 18166 1807 1 3 . 1 1 115 115 SER HA H 115 4.272 4.272 4.207 0.065 18166 1808 1 3 . 1 1 115 115 SER CA C 115 60.133 60.133 60.957 -0.824 18166 1809 1 3 . 1 1 115 115 SER CB C 115 62.791 62.791 62.964 -0.173 18166 1810 1 3 . 1 1 115 115 SER H H 115 8.775 8.775 8.693 0.082 18166 1811 1 3 . 1 1 116 116 SER N N 116 116.860 116.860 117.648 -0.788 18166 1812 1 3 . 1 1 116 116 SER HA H 116 4.481 4.481 4.252 0.229 18166 1813 1 3 . 1 1 116 116 SER CA C 116 57.961 57.961 60.903 -2.942 18166 1814 1 3 . 1 1 116 116 SER CB C 116 63.960 63.960 62.595 1.365 18166 1815 1 3 . 1 1 116 116 SER H H 116 8.404 8.404 8.395 0.009 18166 1816 1 3 . 1 1 117 117 CYS N N 117 121.814 121.814 121.586 0.228 18166 1817 1 3 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.561 -0.250 18166 1818 1 3 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.077 0.895 18166 1819 1 3 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.791 -0.925 18166 1820 1 3 . 1 1 117 117 CYS H H 117 7.401 7.401 7.898 -0.497 18166 1821 1 3 . 1 1 118 118 LYS N N 118 105.939 105.939 120.675 -14.736 18166 1822 1 3 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.862 0.110 18166 1823 1 3 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.251 -0.384 18166 1824 1 3 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.587 0.769 18166 1825 1 3 . 1 1 118 118 LYS H H 118 8.647 8.647 8.033 0.614 18166 1826 1 3 . 1 1 119 119 GLU N N 119 117.724 117.724 118.089 -0.365 18166 1827 1 3 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.050 0.081 18166 1828 1 3 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.928 0.072 18166 1829 1 3 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.890 0.582 18166 1830 1 3 . 1 1 119 119 GLU H H 119 8.998 8.998 8.413 0.585 18166 1831 1 3 . 1 1 120 120 ALA N N 120 120.855 120.855 121.030 -0.175 18166 1832 1 3 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.249 0.119 18166 1833 1 3 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.375 -1.069 18166 1834 1 3 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.539 -0.426 18166 1835 1 3 . 1 1 120 120 ALA H H 120 7.494 7.494 8.300 -0.806 18166 1836 1 3 . 1 1 121 121 ALA N N 121 123.265 123.265 121.866 1.399 18166 1837 1 3 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.021 -0.026 18166 1838 1 3 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.123 -0.331 18166 1839 1 3 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.571 -0.767 18166 1840 1 3 . 1 1 121 121 ALA H H 121 7.914 7.914 7.702 0.212 18166 1841 1 3 . 1 1 122 122 ASP N N 122 118.732 118.732 118.676 0.056 18166 1842 1 3 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.294 -0.023 18166 1843 1 3 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.288 -1.046 18166 1844 1 3 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.734 -1.619 18166 1845 1 3 . 1 1 122 122 ASP H H 122 8.964 8.964 7.853 1.111 18166 1846 1 3 . 1 1 123 123 GLY N N 123 108.568 108.568 106.883 1.685 18166 1847 1 3 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.550 0.064 18166 1848 1 3 . 1 1 123 123 GLY H H 123 7.572 7.572 7.660 -0.088 18166 1849 1 3 . 1 1 124 124 TYR N N 124 122.944 122.944 123.129 -0.185 18166 1850 1 3 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.855 -0.241 18166 1851 1 3 . 1 1 124 124 TYR CA C 124 63.184 63.184 59.954 3.230 18166 1852 1 3 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.156 -0.259 18166 1853 1 3 . 1 1 124 124 TYR H H 124 8.162 8.162 7.644 0.518 18166 1854 1 3 . 1 1 125 125 GLN N N 125 115.988 115.988 117.110 -1.122 18166 1855 1 3 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.641 0.234 18166 1856 1 3 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.194 0.426 18166 1857 1 3 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.870 0.267 18166 1858 1 3 . 1 1 125 125 GLN H H 125 7.510 7.510 7.904 -0.394 18166 1859 1 3 . 1 1 126 126 ARG N N 126 118.626 118.626 119.120 -0.494 18166 1860 1 3 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.097 -0.164 18166 1861 1 3 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.689 1.128 18166 1862 1 3 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.367 0.725 18166 1863 1 3 . 1 1 126 126 ARG H H 126 8.139 8.139 7.438 0.701 18166 1864 1 3 . 1 1 127 127 CYS N N 127 116.985 116.985 117.744 -0.759 18166 1865 1 3 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.124 -0.235 18166 1866 1 3 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.045 1.918 18166 1867 1 3 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.208 -0.442 18166 1868 1 3 . 1 1 127 127 CYS H H 127 8.097 8.097 7.659 0.438 18166 1869 1 3 . 1 1 128 128 MET N N 128 120.493 120.493 118.707 1.786 18166 1870 1 3 . 1 1 128 128 MET HA H 128 3.989 3.989 3.990 -0.001 18166 1871 1 3 . 1 1 128 128 MET CA C 128 58.420 58.420 58.552 -0.132 18166 1872 1 3 . 1 1 128 128 MET CB C 128 31.539 31.539 31.992 -0.453 18166 1873 1 3 . 1 1 128 128 MET H H 128 8.163 8.163 8.004 0.159 18166 1874 1 3 . 1 1 129 129 MET N N 129 115.583 115.583 116.561 -0.978 18166 1875 1 3 . 1 1 129 129 MET HA H 129 4.211 4.211 4.334 -0.123 18166 1876 1 3 . 1 1 129 129 MET CA C 129 56.677 56.677 57.459 -0.782 18166 1877 1 3 . 1 1 129 129 MET CB C 129 31.951 31.951 32.120 -0.169 18166 1878 1 3 . 1 1 129 129 MET H H 129 7.723 7.723 7.473 0.250 18166 1879 1 3 . 1 1 130 130 ALA N N 130 121.061 121.061 122.676 -1.615 18166 1880 1 3 . 1 1 130 130 ALA HA H 130 3.908 3.908 4.051 -0.143 18166 1881 1 3 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.172 -1.092 18166 1882 1 3 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.901 -1.397 18166 1883 1 3 . 1 1 130 130 ALA H H 130 7.458 7.458 7.352 0.106 18166 1884 1 3 . 1 1 131 131 GLN N N 131 114.560 114.560 114.754 -0.194 18166 1885 1 3 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.208 -0.202 18166 1886 1 3 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.309 -0.506 18166 1887 1 3 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.698 0.407 18166 1888 1 3 . 1 1 131 131 GLN H H 131 7.214 7.214 7.531 -0.317 18166 1889 1 3 . 1 1 132 132 TYR N N 132 117.856 117.856 118.672 -0.816 18166 1890 1 3 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.718 -0.076 18166 1891 1 3 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.813 1.745 18166 1892 1 3 . 1 1 132 132 TYR CB C 132 38.312 38.312 37.157 1.155 18166 1893 1 3 . 1 1 132 132 TYR H H 132 7.545 7.545 7.256 0.289 18166 1894 1 4 . 1 1 2 2 GLY N N 2 109.986 109.986 111.624 -1.638 18166 1895 1 4 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.303 -0.493 18166 1896 1 4 . 1 1 2 2 GLY H H 2 8.520 8.520 8.454 0.066 18166 1897 1 4 . 1 1 3 3 HIS N N 3 117.442 117.442 121.581 -4.139 18166 1898 1 4 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.512 0.108 18166 1899 1 4 . 1 1 3 3 HIS CB C 3 28.428 28.428 28.617 -0.189 18166 1900 1 4 . 1 1 3 3 HIS H H 3 8.406 8.406 8.358 0.048 18166 1901 1 4 . 1 1 4 4 HIS N N 4 118.932 118.932 119.615 -0.683 18166 1902 1 4 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.660 -0.032 18166 1903 1 4 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.256 -0.349 18166 1904 1 4 . 1 1 4 4 HIS CB C 4 28.198 28.198 32.124 -3.926 18166 1905 1 4 . 1 1 4 4 HIS H H 4 8.552 8.552 8.197 0.355 18166 1906 1 4 . 1 1 5 5 HIS N N 5 119.580 119.580 121.466 -1.886 18166 1907 1 4 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.675 -0.027 18166 1908 1 4 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.271 -1.138 18166 1909 1 4 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.520 -1.759 18166 1910 1 4 . 1 1 5 5 HIS H H 5 8.615 8.615 8.772 -0.157 18166 1911 1 4 . 1 1 6 6 HIS N N 6 121.369 121.369 122.509 -1.140 18166 1912 1 4 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.497 0.151 18166 1913 1 4 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.202 -0.253 18166 1914 1 4 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.419 -1.319 18166 1915 1 4 . 1 1 6 6 HIS H H 6 8.732 8.732 7.975 0.757 18166 1916 1 4 . 1 1 7 7 HIS N N 7 120.276 120.276 124.280 -4.004 18166 1917 1 4 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.428 0.214 18166 1918 1 4 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.196 -1.049 18166 1919 1 4 . 1 1 7 7 HIS CB C 7 28.825 28.825 29.938 -1.113 18166 1920 1 4 . 1 1 7 7 HIS H H 7 8.708 8.708 8.604 0.104 18166 1921 1 4 . 1 1 8 8 HIS N N 8 120.007 120.007 124.934 -4.927 18166 1922 1 4 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.637 0.059 18166 1923 1 4 . 1 1 8 8 HIS CA C 8 54.861 54.861 54.393 0.468 18166 1924 1 4 . 1 1 8 8 HIS CB C 8 28.696 28.696 27.743 0.953 18166 1925 1 4 . 1 1 8 8 HIS H H 8 8.708 8.708 8.246 0.462 18166 1926 1 4 . 1 1 9 9 SER N N 9 117.977 117.977 115.034 2.943 18166 1927 1 4 . 1 1 9 9 SER HA H 9 4.404 4.404 4.461 -0.057 18166 1928 1 4 . 1 1 9 9 SER CA C 9 57.718 57.718 58.836 -1.118 18166 1929 1 4 . 1 1 9 9 SER CB C 9 63.246 63.246 63.681 -0.435 18166 1930 1 4 . 1 1 9 9 SER H H 9 8.535 8.535 7.683 0.852 18166 1931 1 4 . 1 1 10 10 HIS N N 10 120.441 120.441 121.687 -1.246 18166 1932 1 4 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.663 0.032 18166 1933 1 4 . 1 1 10 10 HIS H H 10 8.744 8.744 8.394 0.350 18166 1934 1 4 . 1 1 11 11 MET N N 11 122.004 122.004 122.295 -0.291 18166 1935 1 4 . 1 1 11 11 MET HA H 11 4.427 4.427 4.379 0.048 18166 1936 1 4 . 1 1 11 11 MET CA C 11 54.665 54.665 55.917 -1.252 18166 1937 1 4 . 1 1 11 11 MET CB C 11 32.913 32.913 32.868 0.045 18166 1938 1 4 . 1 1 11 11 MET H H 11 8.443 8.443 8.428 0.015 18166 1939 1 4 . 1 1 12 12 ASN N N 12 121.852 121.852 116.937 4.915 18166 1940 1 4 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.039 -0.102 18166 1941 1 4 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.539 -0.159 18166 1942 1 4 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.658 -0.345 18166 1943 1 4 . 1 1 12 12 ASN H H 12 8.631 8.631 8.173 0.458 18166 1944 1 4 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.393 -0.033 18166 1945 1 4 . 1 1 13 13 PRO CA C 13 63.149 63.149 63.907 -0.758 18166 1946 1 4 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.292 -0.540 18166 1947 1 4 . 1 1 14 14 ASP N N 14 119.643 119.643 116.932 2.711 18166 1948 1 4 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.723 -0.180 18166 1949 1 4 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.786 0.242 18166 1950 1 4 . 1 1 14 14 ASP CB C 14 39.762 39.762 42.324 -2.562 18166 1951 1 4 . 1 1 14 14 ASP H H 14 8.344 8.344 8.177 0.168 18166 1952 1 4 . 1 1 15 15 LEU N N 15 123.333 123.333 126.059 -2.726 18166 1953 1 4 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.121 0.028 18166 1954 1 4 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.648 -1.205 18166 1955 1 4 . 1 1 15 15 LEU CB C 15 41.376 41.376 42.069 -0.693 18166 1956 1 4 . 1 1 15 15 LEU H H 15 8.119 8.119 8.596 -0.477 18166 1957 1 4 . 1 1 16 16 ALA N N 16 121.879 121.879 120.264 1.615 18166 1958 1 4 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.080 0.034 18166 1959 1 4 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.532 -1.161 18166 1960 1 4 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.618 -0.570 18166 1961 1 4 . 1 1 16 16 ALA H H 16 8.212 8.212 7.909 0.303 18166 1962 1 4 . 1 1 17 17 LEU N N 17 118.990 118.990 116.667 2.323 18166 1963 1 4 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.195 -0.056 18166 1964 1 4 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.740 -1.631 18166 1965 1 4 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.906 -0.529 18166 1966 1 4 . 1 1 17 17 LEU H H 17 7.719 7.719 7.564 0.155 18166 1967 1 4 . 1 1 18 18 MET N N 18 118.534 118.534 117.766 0.768 18166 1968 1 4 . 1 1 18 18 MET HA H 18 4.274 4.274 4.240 0.034 18166 1969 1 4 . 1 1 18 18 MET CA C 18 56.497 56.497 57.249 -0.752 18166 1970 1 4 . 1 1 18 18 MET CB C 18 31.787 31.787 31.428 0.359 18166 1971 1 4 . 1 1 18 18 MET H H 18 7.996 7.996 7.647 0.349 18166 1972 1 4 . 1 1 19 19 VAL N N 19 119.243 119.243 118.092 1.151 18166 1973 1 4 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.830 0.003 18166 1974 1 4 . 1 1 19 19 VAL CA C 19 63.734 63.734 64.392 -0.658 18166 1975 1 4 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.623 0.033 18166 1976 1 4 . 1 1 19 19 VAL H H 19 7.915 7.915 7.532 0.383 18166 1977 1 4 . 1 1 20 20 LYS N N 20 123.321 123.321 119.228 4.093 18166 1978 1 4 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.183 -0.206 18166 1979 1 4 . 1 1 20 20 LYS CA C 20 58.343 58.343 58.906 -0.563 18166 1980 1 4 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.908 0.088 18166 1981 1 4 . 1 1 20 20 LYS H H 20 8.139 8.139 7.676 0.463 18166 1982 1 4 . 1 1 21 21 ASN N N 21 118.732 118.732 119.271 -0.539 18166 1983 1 4 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.403 0.175 18166 1984 1 4 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.864 -2.624 18166 1985 1 4 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.756 -1.017 18166 1986 1 4 . 1 1 21 21 ASN H H 21 8.349 8.349 7.849 0.500 18166 1987 1 4 . 1 1 22 22 LYS N N 22 121.941 121.941 118.832 3.109 18166 1988 1 4 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.285 -0.261 18166 1989 1 4 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.867 -0.557 18166 1990 1 4 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.630 -0.111 18166 1991 1 4 . 1 1 22 22 LYS H H 22 8.185 8.185 7.368 0.817 18166 1992 1 4 . 1 1 23 23 GLY N N 23 107.792 107.792 107.395 0.397 18166 1993 1 4 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.717 1.049 18166 1994 1 4 . 1 1 23 23 GLY H H 23 8.336 8.336 7.715 0.621 18166 1995 1 4 . 1 1 24 24 ASN N N 24 120.049 120.049 120.048 0.001 18166 1996 1 4 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.632 -0.048 18166 1997 1 4 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.342 -0.141 18166 1998 1 4 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.402 -0.832 18166 1999 1 4 . 1 1 24 24 ASN H H 24 8.337 8.337 7.729 0.608 18166 2000 1 4 . 1 1 25 25 GLU N N 25 121.510 121.510 120.966 0.544 18166 2001 1 4 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.127 -0.080 18166 2002 1 4 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.065 -0.089 18166 2003 1 4 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.509 -0.406 18166 2004 1 4 . 1 1 25 25 GLU H H 25 8.366 8.366 7.602 0.764 18166 2005 1 4 . 1 1 26 26 CYS N N 26 116.512 116.512 118.476 -1.964 18166 2006 1 4 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.072 0.030 18166 2007 1 4 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.159 -0.155 18166 2008 1 4 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.026 0.230 18166 2009 1 4 . 1 1 26 26 CYS H H 26 8.092 8.092 8.018 0.074 18166 2010 1 4 . 1 1 27 27 PHE N N 27 122.066 122.066 119.997 2.069 18166 2011 1 4 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.089 -0.337 18166 2012 1 4 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.586 -0.106 18166 2013 1 4 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.683 1.219 18166 2014 1 4 . 1 1 27 27 PHE H H 27 8.756 8.756 7.803 0.953 18166 2015 1 4 . 1 1 28 28 GLN N N 28 119.430 119.430 116.279 3.151 18166 2016 1 4 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.053 -0.037 18166 2017 1 4 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.529 0.596 18166 2018 1 4 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.295 -0.085 18166 2019 1 4 . 1 1 28 28 GLN H H 28 8.574 8.574 8.068 0.506 18166 2020 1 4 . 1 1 29 29 LYS N N 29 116.011 116.011 116.563 -0.552 18166 2021 1 4 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.299 -0.055 18166 2022 1 4 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.718 0.380 18166 2023 1 4 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.660 -0.124 18166 2024 1 4 . 1 1 29 29 LYS H H 29 7.410 7.410 7.587 -0.177 18166 2025 1 4 . 1 1 30 30 GLY N N 30 107.636 107.636 107.302 0.334 18166 2026 1 4 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.889 -0.306 18166 2027 1 4 . 1 1 30 30 GLY H H 30 7.566 7.566 7.900 -0.334 18166 2028 1 4 . 1 1 31 31 ASP N N 31 120.587 120.587 123.480 -2.893 18166 2029 1 4 . 1 1 31 31 ASP HA H 31 4.668 4.668 5.018 -0.350 18166 2030 1 4 . 1 1 31 31 ASP CA C 31 51.041 51.041 52.844 -1.803 18166 2031 1 4 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.142 -0.424 18166 2032 1 4 . 1 1 31 31 ASP H H 31 7.826 7.826 8.030 -0.203 18166 2033 1 4 . 1 1 32 32 TYR N N 32 120.190 120.190 122.869 -2.679 18166 2034 1 4 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.069 -0.297 18166 2035 1 4 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.332 -0.078 18166 2036 1 4 . 1 1 32 32 TYR H H 32 7.313 7.313 7.940 -0.627 18166 2037 1 4 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.363 -0.143 18166 2038 1 4 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.965 0.390 18166 2039 1 4 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.425 -0.138 18166 2040 1 4 . 1 1 34 34 GLN N N 34 115.797 115.797 118.567 -2.770 18166 2041 1 4 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.975 -0.050 18166 2042 1 4 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.654 -0.490 18166 2043 1 4 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.829 0.549 18166 2044 1 4 . 1 1 34 34 GLN H H 34 7.278 7.278 8.377 -1.099 18166 2045 1 4 . 1 1 35 35 ALA N N 35 121.852 121.852 122.102 -0.250 18166 2046 1 4 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.093 -0.021 18166 2047 1 4 . 1 1 35 35 ALA CA C 35 55.597 55.597 55.160 0.437 18166 2048 1 4 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.409 0.136 18166 2049 1 4 . 1 1 35 35 ALA H H 35 8.376 8.376 8.178 0.198 18166 2050 1 4 . 1 1 36 36 MET N N 36 116.867 116.867 117.747 -0.880 18166 2051 1 4 . 1 1 36 36 MET HA H 36 3.887 3.887 4.412 -0.525 18166 2052 1 4 . 1 1 36 36 MET CA C 36 59.400 59.400 58.658 0.742 18166 2053 1 4 . 1 1 36 36 MET CB C 36 30.626 30.626 32.615 -1.989 18166 2054 1 4 . 1 1 36 36 MET H H 36 8.538 8.538 7.899 0.639 18166 2055 1 4 . 1 1 37 37 LYS N N 37 122.037 122.037 119.241 2.796 18166 2056 1 4 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.061 -0.149 18166 2057 1 4 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.142 0.083 18166 2058 1 4 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.072 0.124 18166 2059 1 4 . 1 1 37 37 LYS H H 37 7.599 7.599 7.531 0.068 18166 2060 1 4 . 1 1 38 38 HIS N N 38 117.718 117.718 118.430 -0.712 18166 2061 1 4 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.675 -0.039 18166 2062 1 4 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.167 -0.167 18166 2063 1 4 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.403 -1.403 18166 2064 1 4 . 1 1 38 38 HIS H H 38 7.908 7.908 7.865 0.043 18166 2065 1 4 . 1 1 39 39 TYR N N 39 118.987 118.987 119.792 -0.805 18166 2066 1 4 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.411 0.054 18166 2067 1 4 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.749 -0.496 18166 2068 1 4 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.372 -0.581 18166 2069 1 4 . 1 1 39 39 TYR H H 39 9.156 9.156 8.100 1.056 18166 2070 1 4 . 1 1 40 40 THR N N 40 117.147 117.147 116.482 0.665 18166 2071 1 4 . 1 1 40 40 THR HA H 40 3.872 3.872 3.934 -0.062 18166 2072 1 4 . 1 1 40 40 THR CA C 40 67.449 67.449 67.082 0.367 18166 2073 1 4 . 1 1 40 40 THR CB C 40 68.728 68.728 68.620 0.108 18166 2074 1 4 . 1 1 40 40 THR H H 40 8.476 8.476 8.034 0.442 18166 2075 1 4 . 1 1 41 41 GLU N N 41 122.067 122.067 120.171 1.896 18166 2076 1 4 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.185 -0.206 18166 2077 1 4 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.811 -0.066 18166 2078 1 4 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.047 -0.324 18166 2079 1 4 . 1 1 41 41 GLU H H 41 7.762 7.762 7.994 -0.232 18166 2080 1 4 . 1 1 42 42 ALA N N 42 122.040 122.040 122.974 -0.934 18166 2081 1 4 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.155 -0.186 18166 2082 1 4 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.640 0.529 18166 2083 1 4 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.397 -0.027 18166 2084 1 4 . 1 1 42 42 ALA H H 42 8.191 8.191 7.365 0.826 18166 2085 1 4 . 1 1 43 43 ILE N N 43 122.662 122.662 118.901 3.761 18166 2086 1 4 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.862 -0.546 18166 2087 1 4 . 1 1 43 43 ILE CA C 43 64.598 64.598 64.209 0.389 18166 2088 1 4 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.564 0.923 18166 2089 1 4 . 1 1 43 43 ILE H H 43 8.427 8.427 8.358 0.069 18166 2090 1 4 . 1 1 44 44 LYS N N 44 117.349 117.349 117.737 -0.388 18166 2091 1 4 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.074 -0.133 18166 2092 1 4 . 1 1 44 44 LYS CA C 44 58.701 58.701 58.491 0.210 18166 2093 1 4 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.829 0.162 18166 2094 1 4 . 1 1 44 44 LYS H H 44 7.473 7.473 7.472 0.001 18166 2095 1 4 . 1 1 45 45 ARG N N 45 114.723 114.723 116.865 -2.142 18166 2096 1 4 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.287 -0.114 18166 2097 1 4 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.127 0.279 18166 2098 1 4 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.055 -0.718 18166 2099 1 4 . 1 1 45 45 ARG H H 45 7.150 7.150 7.704 -0.554 18166 2100 1 4 . 1 1 46 46 ASN N N 46 115.919 115.919 117.969 -2.050 18166 2101 1 4 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.063 0.010 18166 2102 1 4 . 1 1 46 46 ASN CA C 46 51.157 51.157 50.774 0.383 18166 2103 1 4 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.180 -0.549 18166 2104 1 4 . 1 1 46 46 ASN H H 46 7.885 7.885 8.164 -0.279 18166 2105 1 4 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.510 0.222 18166 2106 1 4 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.302 -0.097 18166 2107 1 4 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.141 -0.187 18166 2108 1 4 . 1 1 48 48 LYS N N 48 118.494 118.494 118.158 0.336 18166 2109 1 4 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.428 0.207 18166 2110 1 4 . 1 1 48 48 LYS CA C 48 55.000 55.000 55.290 -0.290 18166 2111 1 4 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.358 0.069 18166 2112 1 4 . 1 1 48 48 LYS H H 48 8.154 8.154 8.248 -0.094 18166 2113 1 4 . 1 1 49 49 ASP N N 49 119.387 119.387 120.006 -0.619 18166 2114 1 4 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.495 0.195 18166 2115 1 4 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.274 -0.396 18166 2116 1 4 . 1 1 49 49 ASP CB C 49 40.026 40.026 39.013 1.013 18166 2117 1 4 . 1 1 49 49 ASP H H 49 7.317 7.317 8.053 -0.736 18166 2118 1 4 . 1 1 50 50 ALA N N 50 128.206 128.206 123.698 4.508 18166 2119 1 4 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.043 -0.002 18166 2120 1 4 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.396 0.168 18166 2121 1 4 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.887 1.202 18166 2122 1 4 . 1 1 50 50 ALA H H 50 8.466 8.466 7.588 0.878 18166 2123 1 4 . 1 1 51 51 LYS N N 51 113.628 113.628 115.161 -1.533 18166 2124 1 4 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.224 -0.347 18166 2125 1 4 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.019 1.295 18166 2126 1 4 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.464 -0.144 18166 2127 1 4 . 1 1 51 51 LYS H H 51 7.985 7.985 7.971 0.014 18166 2128 1 4 . 1 1 52 52 LEU N N 52 117.207 117.207 121.091 -3.884 18166 2129 1 4 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.926 -0.254 18166 2130 1 4 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.051 0.227 18166 2131 1 4 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.735 1.357 18166 2132 1 4 . 1 1 52 52 LEU H H 52 7.323 7.323 7.637 -0.314 18166 2133 1 4 . 1 1 53 53 TYR N N 53 116.167 116.167 117.140 -0.973 18166 2134 1 4 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.133 -0.255 18166 2135 1 4 . 1 1 53 53 TYR CA C 53 61.573 61.573 59.358 2.215 18166 2136 1 4 . 1 1 53 53 TYR CB C 53 38.147 38.147 36.770 1.377 18166 2137 1 4 . 1 1 53 53 TYR H H 53 6.955 6.955 7.546 -0.591 18166 2138 1 4 . 1 1 54 54 SER N N 54 112.799 112.799 115.060 -2.261 18166 2139 1 4 . 1 1 54 54 SER HA H 54 3.976 3.976 4.292 -0.316 18166 2140 1 4 . 1 1 54 54 SER CA C 54 61.200 61.200 61.615 -0.415 18166 2141 1 4 . 1 1 54 54 SER CB C 54 62.184 62.184 62.544 -0.360 18166 2142 1 4 . 1 1 54 54 SER H H 54 7.661 7.661 7.905 -0.244 18166 2143 1 4 . 1 1 55 55 ASN N N 55 119.126 119.126 119.907 -0.781 18166 2144 1 4 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.367 -0.268 18166 2145 1 4 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.293 -0.052 18166 2146 1 4 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.787 -1.510 18166 2147 1 4 . 1 1 55 55 ASN H H 55 7.729 7.729 7.468 0.261 18166 2148 1 4 . 1 1 56 56 ARG N N 56 122.589 122.589 121.655 0.934 18166 2149 1 4 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.752 0.381 18166 2150 1 4 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.976 2.584 18166 2151 1 4 . 1 1 56 56 ARG CB C 56 29.069 29.069 30.141 -1.072 18166 2152 1 4 . 1 1 56 56 ARG H H 56 8.329 8.329 7.602 0.727 18166 2153 1 4 . 1 1 57 57 ALA N N 57 122.569 122.569 120.931 1.638 18166 2154 1 4 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.225 0.035 18166 2155 1 4 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.949 1.126 18166 2156 1 4 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.393 1.496 18166 2157 1 4 . 1 1 57 57 ALA H H 57 8.857 8.857 8.163 0.694 18166 2158 1 4 . 1 1 58 58 ALA N N 58 120.015 120.015 119.972 0.043 18166 2159 1 4 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.087 -0.004 18166 2160 1 4 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.207 0.843 18166 2161 1 4 . 1 1 58 58 ALA CB C 58 17.824 17.824 17.747 0.077 18166 2162 1 4 . 1 1 58 58 ALA H H 58 7.574 7.574 7.686 -0.112 18166 2163 1 4 . 1 1 59 59 CYS N N 59 117.074 117.074 117.456 -0.382 18166 2164 1 4 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.079 -0.017 18166 2165 1 4 . 1 1 59 59 CYS CA C 59 63.245 63.245 64.125 -0.880 18166 2166 1 4 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.771 -0.944 18166 2167 1 4 . 1 1 59 59 CYS H H 59 7.523 7.523 7.359 0.165 18166 2168 1 4 . 1 1 60 60 TYR N N 60 118.554 118.554 119.705 -1.151 18166 2169 1 4 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.226 0.061 18166 2170 1 4 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.168 1.736 18166 2171 1 4 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.150 1.127 18166 2172 1 4 . 1 1 60 60 TYR H H 60 8.684 8.684 7.969 0.715 18166 2173 1 4 . 1 1 61 61 THR N N 61 116.951 116.951 112.984 3.967 18166 2174 1 4 . 1 1 61 61 THR HA H 61 4.264 4.264 2.825 1.439 18166 2175 1 4 . 1 1 61 61 THR CA C 61 67.645 67.645 65.510 2.135 18166 2176 1 4 . 1 1 61 61 THR CB C 61 67.784 67.784 68.099 -0.315 18166 2177 1 4 . 1 1 61 61 THR H H 61 8.572 8.572 7.961 0.611 18166 2178 1 4 . 1 1 62 62 LYS N N 62 122.578 122.578 121.873 0.705 18166 2179 1 4 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.309 -0.385 18166 2180 1 4 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.389 -1.183 18166 2181 1 4 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.276 -1.482 18166 2182 1 4 . 1 1 62 62 LYS H H 62 7.410 7.410 7.850 -0.440 18166 2183 1 4 . 1 1 63 63 LEU N N 63 117.404 117.404 118.736 -1.332 18166 2184 1 4 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.360 -0.144 18166 2185 1 4 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.115 -1.070 18166 2186 1 4 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.516 -0.873 18166 2187 1 4 . 1 1 63 63 LEU H H 63 7.397 7.397 7.647 -0.250 18166 2188 1 4 . 1 1 64 64 LEU N N 64 113.668 113.668 114.977 -1.309 18166 2189 1 4 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.237 -1.267 18166 2190 1 4 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.478 -1.660 18166 2191 1 4 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.230 -1.978 18166 2192 1 4 . 1 1 64 64 LEU H H 64 7.457 7.457 7.757 -0.300 18166 2193 1 4 . 1 1 65 65 GLU N N 65 120.636 120.636 120.317 0.319 18166 2194 1 4 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.369 0.034 18166 2195 1 4 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.247 -2.017 18166 2196 1 4 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.848 -0.758 18166 2197 1 4 . 1 1 65 65 GLU H H 65 8.085 8.085 8.185 -0.100 18166 2198 1 4 . 1 1 66 66 PHE N N 66 118.292 118.292 120.255 -1.963 18166 2199 1 4 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.121 -0.095 18166 2200 1 4 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.141 -1.152 18166 2201 1 4 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.763 -0.480 18166 2202 1 4 . 1 1 66 66 PHE H H 66 6.812 6.812 8.005 -1.193 18166 2203 1 4 . 1 1 67 67 GLN N N 67 117.166 117.166 117.845 -0.679 18166 2204 1 4 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.019 -0.036 18166 2205 1 4 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.722 -0.044 18166 2206 1 4 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.861 -1.017 18166 2207 1 4 . 1 1 67 67 GLN H H 67 8.589 8.589 8.536 0.053 18166 2208 1 4 . 1 1 68 68 LEU N N 68 119.871 119.871 119.457 0.414 18166 2209 1 4 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.832 -0.066 18166 2210 1 4 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.933 0.542 18166 2211 1 4 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.622 -2.602 18166 2212 1 4 . 1 1 68 68 LEU H H 68 7.422 7.422 7.854 -0.432 18166 2213 1 4 . 1 1 69 69 ALA N N 69 121.380 121.380 121.433 -0.053 18166 2214 1 4 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.145 -0.012 18166 2215 1 4 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.001 0.827 18166 2216 1 4 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.582 -0.075 18166 2217 1 4 . 1 1 69 69 ALA H H 69 7.871 7.871 7.656 0.215 18166 2218 1 4 . 1 1 70 70 LEU N N 70 118.569 118.569 118.610 -0.041 18166 2219 1 4 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.911 -0.097 18166 2220 1 4 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.966 0.613 18166 2221 1 4 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.770 -0.844 18166 2222 1 4 . 1 1 70 70 LEU H H 70 8.519 8.519 8.256 0.263 18166 2223 1 4 . 1 1 71 71 LYS N N 71 119.700 119.700 117.269 2.431 18166 2224 1 4 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.948 0.029 18166 2225 1 4 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.985 0.210 18166 2226 1 4 . 1 1 71 71 LYS H H 71 7.619 7.619 7.450 0.169 18166 2227 1 4 . 1 1 72 72 ASP N N 72 121.506 121.506 121.795 -0.289 18166 2228 1 4 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.410 0.204 18166 2229 1 4 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.545 -0.252 18166 2230 1 4 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.864 -0.882 18166 2231 1 4 . 1 1 72 72 ASP H H 72 7.460 7.460 8.337 -0.877 18166 2232 1 4 . 1 1 73 73 CYS N N 73 118.302 118.302 117.393 0.909 18166 2233 1 4 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.503 -0.669 18166 2234 1 4 . 1 1 73 73 CYS CA C 73 64.687 64.687 62.022 2.665 18166 2235 1 4 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.281 -0.735 18166 2236 1 4 . 1 1 73 73 CYS H H 73 8.366 8.366 7.702 0.664 18166 2237 1 4 . 1 1 74 74 GLU N N 74 117.660 117.660 118.827 -1.167 18166 2238 1 4 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.094 -0.193 18166 2239 1 4 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.773 -0.560 18166 2240 1 4 . 1 1 74 74 GLU CB C 74 28.016 28.016 28.962 -0.946 18166 2241 1 4 . 1 1 74 74 GLU H H 74 8.244 8.244 7.958 0.286 18166 2242 1 4 . 1 1 75 75 GLU N N 75 119.807 119.807 116.953 2.854 18166 2243 1 4 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.232 -0.339 18166 2244 1 4 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.453 -0.304 18166 2245 1 4 . 1 1 75 75 GLU CB C 75 26.674 26.674 30.210 -3.536 18166 2246 1 4 . 1 1 75 75 GLU H H 75 7.394 7.394 7.851 -0.457 18166 2247 1 4 . 1 1 76 76 CYS N N 76 118.342 118.342 117.452 0.890 18166 2248 1 4 . 1 1 76 76 CYS HA H 76 3.841 3.841 4.197 -0.356 18166 2249 1 4 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.203 3.100 18166 2250 1 4 . 1 1 76 76 CYS CB C 76 26.371 26.371 27.377 -1.006 18166 2251 1 4 . 1 1 76 76 CYS H H 76 7.852 7.852 7.845 0.007 18166 2252 1 4 . 1 1 77 77 ILE N N 77 117.728 117.728 122.282 -4.554 18166 2253 1 4 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.246 -0.766 18166 2254 1 4 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.200 0.009 18166 2255 1 4 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.788 0.762 18166 2256 1 4 . 1 1 77 77 ILE H H 77 7.897 7.897 7.568 0.329 18166 2257 1 4 . 1 1 78 78 GLN N N 78 117.037 117.037 117.361 -0.324 18166 2258 1 4 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.132 -0.227 18166 2259 1 4 . 1 1 78 78 GLN CA C 78 58.214 58.214 58.068 0.146 18166 2260 1 4 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.738 -0.388 18166 2261 1 4 . 1 1 78 78 GLN H H 78 7.655 7.655 7.741 -0.086 18166 2262 1 4 . 1 1 79 79 LEU N N 79 118.180 118.180 116.831 1.349 18166 2263 1 4 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.381 -0.286 18166 2264 1 4 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.454 1.061 18166 2265 1 4 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.339 0.705 18166 2266 1 4 . 1 1 79 79 LEU H H 79 8.021 8.021 7.244 0.777 18166 2267 1 4 . 1 1 80 80 GLU N N 80 117.250 117.250 118.453 -1.203 18166 2268 1 4 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.708 0.128 18166 2269 1 4 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.619 -0.077 18166 2270 1 4 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.176 -0.397 18166 2271 1 4 . 1 1 80 80 GLU H H 80 8.403 8.403 7.844 0.559 18166 2272 1 4 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.703 0.163 18166 2273 1 4 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.771 -0.026 18166 2274 1 4 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.583 -0.831 18166 2275 1 4 . 1 1 82 82 THR N N 82 107.443 107.443 110.619 -3.176 18166 2276 1 4 . 1 1 82 82 THR HA H 82 4.607 4.607 4.287 0.320 18166 2277 1 4 . 1 1 82 82 THR CA C 82 61.139 61.139 60.047 1.092 18166 2278 1 4 . 1 1 82 82 THR CB C 82 68.785 68.785 68.905 -0.120 18166 2279 1 4 . 1 1 82 82 THR H H 82 8.129 8.129 7.804 0.325 18166 2280 1 4 . 1 1 83 83 PHE N N 83 123.490 123.490 121.467 2.023 18166 2281 1 4 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.508 0.622 18166 2282 1 4 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.755 -1.043 18166 2283 1 4 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.315 -0.052 18166 2284 1 4 . 1 1 83 83 PHE H H 83 8.022 8.022 7.606 0.416 18166 2285 1 4 . 1 1 84 84 ILE N N 84 131.837 131.837 126.555 5.282 18166 2286 1 4 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.567 0.383 18166 2287 1 4 . 1 1 84 84 ILE CA C 84 64.230 64.230 65.049 -0.819 18166 2288 1 4 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.895 0.074 18166 2289 1 4 . 1 1 84 84 ILE H H 84 8.955 8.955 8.322 0.633 18166 2290 1 4 . 1 1 85 85 LYS N N 85 115.465 115.465 118.619 -3.154 18166 2291 1 4 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.131 0.327 18166 2292 1 4 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.711 -2.375 18166 2293 1 4 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.391 0.090 18166 2294 1 4 . 1 1 85 85 LYS H H 85 6.000 6.000 8.507 -2.507 18166 2295 1 4 . 1 1 86 86 GLY N N 86 103.958 103.958 107.702 -3.744 18166 2296 1 4 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.944 1.218 18166 2297 1 4 . 1 1 86 86 GLY H H 86 6.966 6.966 7.947 -0.981 18166 2298 1 4 . 1 1 87 87 TYR N N 87 115.851 115.851 121.847 -5.996 18166 2299 1 4 . 1 1 87 87 TYR HA H 87 3.940 3.940 3.948 -0.008 18166 2300 1 4 . 1 1 87 87 TYR CA C 87 60.197 60.197 61.470 -1.273 18166 2301 1 4 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.824 0.409 18166 2302 1 4 . 1 1 87 87 TYR H H 87 6.814 6.814 7.356 -0.542 18166 2303 1 4 . 1 1 88 88 THR N N 88 109.840 109.840 115.590 -5.750 18166 2304 1 4 . 1 1 88 88 THR HA H 88 4.328 4.328 3.943 0.385 18166 2305 1 4 . 1 1 88 88 THR CA C 88 66.353 66.353 66.540 -0.187 18166 2306 1 4 . 1 1 88 88 THR CB C 88 66.371 66.371 68.629 -2.258 18166 2307 1 4 . 1 1 88 88 THR H H 88 8.318 8.318 8.136 0.182 18166 2308 1 4 . 1 1 89 89 ARG N N 89 121.855 121.855 120.565 1.290 18166 2309 1 4 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.230 -0.153 18166 2310 1 4 . 1 1 89 89 ARG CA C 89 59.029 59.029 58.358 0.671 18166 2311 1 4 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.634 -0.361 18166 2312 1 4 . 1 1 89 89 ARG H H 89 8.320 8.320 8.160 0.160 18166 2313 1 4 . 1 1 90 90 LYS N N 90 124.436 124.436 120.932 3.504 18166 2314 1 4 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.122 -0.193 18166 2315 1 4 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.886 0.976 18166 2316 1 4 . 1 1 90 90 LYS H H 90 7.379 7.379 7.936 -0.557 18166 2317 1 4 . 1 1 91 91 ALA N N 91 121.179 121.179 120.068 1.111 18166 2318 1 4 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.895 -0.403 18166 2319 1 4 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.600 0.453 18166 2320 1 4 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.561 -2.116 18166 2321 1 4 . 1 1 91 91 ALA H H 91 8.460 8.460 7.953 0.507 18166 2322 1 4 . 1 1 92 92 ALA N N 92 118.165 118.165 121.556 -3.391 18166 2323 1 4 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.324 -0.200 18166 2324 1 4 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.736 0.131 18166 2325 1 4 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.643 -0.623 18166 2326 1 4 . 1 1 92 92 ALA H H 92 7.871 7.871 7.768 0.103 18166 2327 1 4 . 1 1 93 93 ALA N N 93 123.065 123.065 122.019 1.046 18166 2328 1 4 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.160 -0.170 18166 2329 1 4 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.892 0.446 18166 2330 1 4 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.467 -1.846 18166 2331 1 4 . 1 1 93 93 ALA H H 93 7.649 7.649 7.798 -0.149 18166 2332 1 4 . 1 1 94 94 LEU N N 94 117.762 117.762 119.005 -1.243 18166 2333 1 4 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.793 0.323 18166 2334 1 4 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.837 -0.187 18166 2335 1 4 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.427 0.375 18166 2336 1 4 . 1 1 94 94 LEU H H 94 7.847 7.847 8.162 -0.315 18166 2337 1 4 . 1 1 95 95 GLU N N 95 121.139 121.139 119.317 1.822 18166 2338 1 4 . 1 1 95 95 GLU HA H 95 3.355 3.355 3.985 -0.630 18166 2339 1 4 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.721 -0.593 18166 2340 1 4 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.781 -0.388 18166 2341 1 4 . 1 1 95 95 GLU H H 95 8.971 8.971 8.323 0.648 18166 2342 1 4 . 1 1 96 96 ALA N N 96 124.630 124.630 119.565 5.065 18166 2343 1 4 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.123 -0.172 18166 2344 1 4 . 1 1 96 96 ALA CA C 96 54.572 54.572 54.052 0.520 18166 2345 1 4 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.521 -1.162 18166 2346 1 4 . 1 1 96 96 ALA H H 96 7.890 7.890 7.530 0.360 18166 2347 1 4 . 1 1 97 97 MET N N 97 115.484 115.484 116.692 -1.208 18166 2348 1 4 . 1 1 97 97 MET HA H 97 3.714 3.714 4.421 -0.707 18166 2349 1 4 . 1 1 97 97 MET CA C 97 56.071 56.071 53.983 2.088 18166 2350 1 4 . 1 1 97 97 MET CB C 97 33.654 33.654 31.557 2.097 18166 2351 1 4 . 1 1 97 97 MET H H 97 7.155 7.155 7.222 -0.067 18166 2352 1 4 . 1 1 98 98 LYS N N 98 112.882 112.882 114.568 -1.686 18166 2353 1 4 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.227 -0.497 18166 2354 1 4 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.134 -0.382 18166 2355 1 4 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.247 -1.127 18166 2356 1 4 . 1 1 98 98 LYS H H 98 7.597 7.597 7.390 0.207 18166 2357 1 4 . 1 1 99 99 ASP N N 99 120.642 120.642 120.307 0.335 18166 2358 1 4 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.717 0.120 18166 2359 1 4 . 1 1 99 99 ASP CA C 99 50.762 50.762 51.537 -0.775 18166 2360 1 4 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.201 -1.522 18166 2361 1 4 . 1 1 99 99 ASP H H 99 7.888 7.888 8.038 -0.150 18166 2362 1 4 . 1 1 100 100 TYR N N 100 117.948 117.948 119.726 -1.778 18166 2363 1 4 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.168 -0.223 18166 2364 1 4 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.561 1.373 18166 2365 1 4 . 1 1 100 100 TYR CB C 100 37.639 37.639 36.979 0.660 18166 2366 1 4 . 1 1 100 100 TYR H H 100 6.984 6.984 7.056 -0.072 18166 2367 1 4 . 1 1 101 101 THR N N 101 113.752 113.752 111.566 2.186 18166 2368 1 4 . 1 1 101 101 THR HA H 101 4.008 4.008 4.021 -0.013 18166 2369 1 4 . 1 1 101 101 THR CA C 101 65.857 65.857 65.586 0.271 18166 2370 1 4 . 1 1 101 101 THR CB C 101 67.689 67.689 68.121 -0.432 18166 2371 1 4 . 1 1 101 101 THR H H 101 8.543 8.543 8.281 0.262 18166 2372 1 4 . 1 1 102 102 LYS N N 102 120.641 120.641 120.822 -0.181 18166 2373 1 4 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.770 -0.628 18166 2374 1 4 . 1 1 102 102 LYS CA C 102 59.086 59.086 56.786 2.300 18166 2375 1 4 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.112 0.067 18166 2376 1 4 . 1 1 102 102 LYS H H 102 7.348 7.348 7.729 -0.381 18166 2377 1 4 . 1 1 103 103 ALA N N 103 120.302 120.302 123.941 -3.639 18166 2378 1 4 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.890 -0.225 18166 2379 1 4 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.481 0.174 18166 2380 1 4 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.559 0.330 18166 2381 1 4 . 1 1 103 103 ALA H H 103 8.344 8.344 8.441 -0.097 18166 2382 1 4 . 1 1 104 104 MET N N 104 116.430 116.430 114.984 1.446 18166 2383 1 4 . 1 1 104 104 MET HA H 104 3.939 3.939 4.509 -0.570 18166 2384 1 4 . 1 1 104 104 MET CA C 104 61.020 61.020 59.300 1.720 18166 2385 1 4 . 1 1 104 104 MET CB C 104 33.904 33.904 32.386 1.518 18166 2386 1 4 . 1 1 104 104 MET H H 104 8.375 8.375 8.311 0.064 18166 2387 1 4 . 1 1 105 105 ASP N N 105 117.449 117.449 120.497 -3.048 18166 2388 1 4 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.464 0.046 18166 2389 1 4 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.547 -0.434 18166 2390 1 4 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.387 -0.178 18166 2391 1 4 . 1 1 105 105 ASP H H 105 7.319 7.319 8.200 -0.881 18166 2392 1 4 . 1 1 106 106 VAL N N 106 121.168 121.168 120.088 1.080 18166 2393 1 4 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.786 -0.036 18166 2394 1 4 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.205 0.775 18166 2395 1 4 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.182 -0.421 18166 2396 1 4 . 1 1 106 106 VAL H H 106 7.825 7.825 7.603 0.222 18166 2397 1 4 . 1 1 107 107 TYR N N 107 120.714 120.714 120.118 0.596 18166 2398 1 4 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.189 0.082 18166 2399 1 4 . 1 1 107 107 TYR CA C 107 62.453 62.453 62.152 0.301 18166 2400 1 4 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.519 0.635 18166 2401 1 4 . 1 1 107 107 TYR H H 107 9.215 9.215 8.489 0.726 18166 2402 1 4 . 1 1 108 108 GLN N N 108 117.293 117.293 118.529 -1.236 18166 2403 1 4 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.880 -0.047 18166 2404 1 4 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.871 -0.169 18166 2405 1 4 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.278 -0.033 18166 2406 1 4 . 1 1 108 108 GLN H H 108 8.605 8.605 7.812 0.793 18166 2407 1 4 . 1 1 109 109 LYS N N 109 120.342 120.342 118.444 1.898 18166 2408 1 4 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.074 -0.072 18166 2409 1 4 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.166 0.371 18166 2410 1 4 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.045 -1.024 18166 2411 1 4 . 1 1 109 109 LYS H H 109 7.571 7.571 8.214 -0.643 18166 2412 1 4 . 1 1 110 110 ALA N N 110 119.851 119.851 122.293 -2.442 18166 2413 1 4 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.911 -0.132 18166 2414 1 4 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.868 0.184 18166 2415 1 4 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.169 -0.481 18166 2416 1 4 . 1 1 110 110 ALA H H 110 7.693 7.693 7.901 -0.208 18166 2417 1 4 . 1 1 111 111 LEU N N 111 117.859 117.859 117.588 0.271 18166 2418 1 4 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.006 0.071 18166 2419 1 4 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.073 -0.862 18166 2420 1 4 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.933 -0.124 18166 2421 1 4 . 1 1 111 111 LEU H H 111 7.811 7.811 8.011 -0.200 18166 2422 1 4 . 1 1 112 112 ASP N N 112 118.421 118.421 117.319 1.102 18166 2423 1 4 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.421 -0.170 18166 2424 1 4 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.177 -0.415 18166 2425 1 4 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.110 -1.915 18166 2426 1 4 . 1 1 112 112 ASP H H 112 8.099 8.099 7.753 0.346 18166 2427 1 4 . 1 1 113 113 LEU N N 113 120.299 120.299 119.013 1.286 18166 2428 1 4 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.082 0.075 18166 2429 1 4 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.387 0.147 18166 2430 1 4 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.364 0.115 18166 2431 1 4 . 1 1 113 113 LEU H H 113 7.319 7.319 7.326 -0.007 18166 2432 1 4 . 1 1 114 114 ASP N N 114 118.196 118.196 113.814 4.382 18166 2433 1 4 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.782 -0.144 18166 2434 1 4 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.479 -0.291 18166 2435 1 4 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.779 -1.512 18166 2436 1 4 . 1 1 114 114 ASP H H 114 8.190 8.190 7.613 0.577 18166 2437 1 4 . 1 1 115 115 SER N N 115 121.421 121.421 117.427 3.994 18166 2438 1 4 . 1 1 115 115 SER HA H 115 4.272 4.272 4.262 0.010 18166 2439 1 4 . 1 1 115 115 SER CA C 115 60.133 60.133 60.680 -0.547 18166 2440 1 4 . 1 1 115 115 SER CB C 115 62.791 62.791 62.980 -0.188 18166 2441 1 4 . 1 1 115 115 SER H H 115 8.775 8.775 8.669 0.106 18166 2442 1 4 . 1 1 116 116 SER N N 116 116.860 116.860 118.727 -1.867 18166 2443 1 4 . 1 1 116 116 SER HA H 116 4.481 4.481 4.234 0.247 18166 2444 1 4 . 1 1 116 116 SER CA C 116 57.961 57.961 61.184 -3.223 18166 2445 1 4 . 1 1 116 116 SER CB C 116 63.960 63.960 62.894 1.066 18166 2446 1 4 . 1 1 116 116 SER H H 116 8.404 8.404 8.117 0.287 18166 2447 1 4 . 1 1 117 117 CYS N N 117 121.814 121.814 119.234 2.580 18166 2448 1 4 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.443 -0.132 18166 2449 1 4 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.232 0.740 18166 2450 1 4 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.755 -0.889 18166 2451 1 4 . 1 1 117 117 CYS H H 117 7.401 7.401 7.959 -0.558 18166 2452 1 4 . 1 1 118 118 LYS N N 118 105.939 105.939 120.971 -15.032 18166 2453 1 4 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.938 0.034 18166 2454 1 4 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.316 -0.449 18166 2455 1 4 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.872 0.484 18166 2456 1 4 . 1 1 118 118 LYS H H 118 8.647 8.647 7.876 0.771 18166 2457 1 4 . 1 1 119 119 GLU N N 119 117.724 117.724 118.839 -1.115 18166 2458 1 4 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.100 0.031 18166 2459 1 4 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.840 0.160 18166 2460 1 4 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.834 0.638 18166 2461 1 4 . 1 1 119 119 GLU H H 119 8.998 8.998 8.465 0.533 18166 2462 1 4 . 1 1 120 120 ALA N N 120 120.855 120.855 121.356 -0.501 18166 2463 1 4 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.228 0.140 18166 2464 1 4 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.262 -0.956 18166 2465 1 4 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.560 -0.447 18166 2466 1 4 . 1 1 120 120 ALA H H 120 7.494 7.494 8.248 -0.754 18166 2467 1 4 . 1 1 121 121 ALA N N 121 123.265 123.265 121.388 1.877 18166 2468 1 4 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.011 -0.016 18166 2469 1 4 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.479 -0.687 18166 2470 1 4 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.216 -0.412 18166 2471 1 4 . 1 1 121 121 ALA H H 121 7.914 7.914 7.741 0.173 18166 2472 1 4 . 1 1 122 122 ASP N N 122 118.732 118.732 117.980 0.752 18166 2473 1 4 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.399 -0.128 18166 2474 1 4 . 1 1 122 122 ASP CA C 122 56.242 56.242 56.732 -0.490 18166 2475 1 4 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.691 -1.577 18166 2476 1 4 . 1 1 122 122 ASP H H 122 8.964 8.964 8.014 0.950 18166 2477 1 4 . 1 1 123 123 GLY N N 123 108.568 108.568 107.203 1.365 18166 2478 1 4 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.383 0.231 18166 2479 1 4 . 1 1 123 123 GLY H H 123 7.572 7.572 7.544 0.028 18166 2480 1 4 . 1 1 124 124 TYR N N 124 122.944 122.944 123.126 -0.182 18166 2481 1 4 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.797 -0.183 18166 2482 1 4 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.227 2.957 18166 2483 1 4 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.140 -0.243 18166 2484 1 4 . 1 1 124 124 TYR H H 124 8.162 8.162 7.758 0.404 18166 2485 1 4 . 1 1 125 125 GLN N N 125 115.988 115.988 117.221 -1.233 18166 2486 1 4 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.593 0.282 18166 2487 1 4 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.803 -0.183 18166 2488 1 4 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.898 0.239 18166 2489 1 4 . 1 1 125 125 GLN H H 125 7.510 7.510 7.747 -0.237 18166 2490 1 4 . 1 1 126 126 ARG N N 126 118.626 118.626 119.387 -0.761 18166 2491 1 4 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.005 -0.072 18166 2492 1 4 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.974 0.843 18166 2493 1 4 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.195 0.897 18166 2494 1 4 . 1 1 126 126 ARG H H 126 8.139 8.139 7.438 0.701 18166 2495 1 4 . 1 1 127 127 CYS N N 127 116.985 116.985 117.854 -0.869 18166 2496 1 4 . 1 1 127 127 CYS HA H 127 3.889 3.889 3.981 -0.092 18166 2497 1 4 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.868 1.095 18166 2498 1 4 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.903 -0.137 18166 2499 1 4 . 1 1 127 127 CYS H H 127 8.097 8.097 7.615 0.482 18166 2500 1 4 . 1 1 128 128 MET N N 128 120.493 120.493 119.106 1.387 18166 2501 1 4 . 1 1 128 128 MET HA H 128 3.989 3.989 3.853 0.136 18166 2502 1 4 . 1 1 128 128 MET CA C 128 58.420 58.420 58.532 -0.112 18166 2503 1 4 . 1 1 128 128 MET CB C 128 31.539 31.539 31.938 -0.399 18166 2504 1 4 . 1 1 128 128 MET H H 128 8.163 8.163 7.934 0.229 18166 2505 1 4 . 1 1 129 129 MET N N 129 115.583 115.583 116.298 -0.715 18166 2506 1 4 . 1 1 129 129 MET HA H 129 4.211 4.211 4.315 -0.104 18166 2507 1 4 . 1 1 129 129 MET CA C 129 56.677 56.677 57.599 -0.923 18166 2508 1 4 . 1 1 129 129 MET CB C 129 31.951 31.951 32.500 -0.549 18166 2509 1 4 . 1 1 129 129 MET H H 129 7.723 7.723 7.587 0.136 18166 2510 1 4 . 1 1 130 130 ALA N N 130 121.061 121.061 122.507 -1.446 18166 2511 1 4 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.830 0.078 18166 2512 1 4 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.426 -1.346 18166 2513 1 4 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.717 -1.213 18166 2514 1 4 . 1 1 130 130 ALA H H 130 7.458 7.458 7.476 -0.018 18166 2515 1 4 . 1 1 131 131 GLN N N 131 114.560 114.560 114.886 -0.326 18166 2516 1 4 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.131 -0.125 18166 2517 1 4 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.506 -0.703 18166 2518 1 4 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.899 0.206 18166 2519 1 4 . 1 1 131 131 GLN H H 131 7.214 7.214 7.260 -0.046 18166 2520 1 4 . 1 1 132 132 TYR N N 132 117.856 117.856 117.561 0.295 18166 2521 1 4 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.760 -0.118 18166 2522 1 4 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.469 2.089 18166 2523 1 4 . 1 1 132 132 TYR CB C 132 38.312 38.312 37.387 0.925 18166 2524 1 4 . 1 1 132 132 TYR H H 132 7.545 7.545 7.240 0.305 18166 2525 1 5 . 1 1 2 2 GLY N N 2 109.986 109.986 110.393 -0.407 18166 2526 1 5 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.032 -0.222 18166 2527 1 5 . 1 1 2 2 GLY H H 2 8.520 8.520 8.531 -0.011 18166 2528 1 5 . 1 1 3 3 HIS N N 3 117.442 117.442 120.272 -2.830 18166 2529 1 5 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.401 0.219 18166 2530 1 5 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.100 -1.672 18166 2531 1 5 . 1 1 3 3 HIS H H 3 8.406 8.406 8.471 -0.065 18166 2532 1 5 . 1 1 4 4 HIS N N 4 118.932 118.932 123.599 -4.667 18166 2533 1 5 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.812 -0.184 18166 2534 1 5 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.066 -0.159 18166 2535 1 5 . 1 1 4 4 HIS CB C 4 28.198 28.198 31.135 -2.937 18166 2536 1 5 . 1 1 4 4 HIS H H 4 8.552 8.552 7.822 0.730 18166 2537 1 5 . 1 1 5 5 HIS N N 5 119.580 119.580 120.765 -1.185 18166 2538 1 5 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.663 -0.015 18166 2539 1 5 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.818 -0.685 18166 2540 1 5 . 1 1 5 5 HIS CB C 5 28.761 28.761 32.743 -3.982 18166 2541 1 5 . 1 1 5 5 HIS H H 5 8.615 8.615 8.385 0.230 18166 2542 1 5 . 1 1 6 6 HIS N N 6 121.369 121.369 121.416 -0.047 18166 2543 1 5 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.450 0.198 18166 2544 1 5 . 1 1 6 6 HIS CA C 6 54.949 54.949 56.160 -1.211 18166 2545 1 5 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.426 -1.326 18166 2546 1 5 . 1 1 6 6 HIS H H 6 8.732 8.732 8.024 0.708 18166 2547 1 5 . 1 1 7 7 HIS N N 7 120.276 120.276 123.775 -3.499 18166 2548 1 5 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.430 0.212 18166 2549 1 5 . 1 1 7 7 HIS CA C 7 55.147 55.147 57.709 -2.562 18166 2550 1 5 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.268 -1.443 18166 2551 1 5 . 1 1 7 7 HIS H H 7 8.708 8.708 8.959 -0.251 18166 2552 1 5 . 1 1 8 8 HIS N N 8 120.007 120.007 116.774 3.233 18166 2553 1 5 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.640 0.056 18166 2554 1 5 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.172 -1.311 18166 2555 1 5 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.209 -1.513 18166 2556 1 5 . 1 1 8 8 HIS H H 8 8.708 8.708 8.177 0.531 18166 2557 1 5 . 1 1 9 9 SER N N 9 117.977 117.977 114.669 3.308 18166 2558 1 5 . 1 1 9 9 SER HA H 9 4.404 4.404 4.652 -0.248 18166 2559 1 5 . 1 1 9 9 SER CA C 9 57.718 57.718 57.490 0.228 18166 2560 1 5 . 1 1 9 9 SER CB C 9 63.246 63.246 63.702 -0.456 18166 2561 1 5 . 1 1 9 9 SER H H 9 8.535 8.535 7.441 1.094 18166 2562 1 5 . 1 1 10 10 HIS N N 10 120.441 120.441 128.729 -8.288 18166 2563 1 5 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.707 -0.012 18166 2564 1 5 . 1 1 10 10 HIS H H 10 8.744 8.744 9.324 -0.580 18166 2565 1 5 . 1 1 11 11 MET N N 11 122.004 122.004 118.676 3.328 18166 2566 1 5 . 1 1 11 11 MET HA H 11 4.427 4.427 4.506 -0.079 18166 2567 1 5 . 1 1 11 11 MET CA C 11 54.665 54.665 55.697 -1.032 18166 2568 1 5 . 1 1 11 11 MET CB C 11 32.913 32.913 34.430 -1.517 18166 2569 1 5 . 1 1 11 11 MET H H 11 8.443 8.443 7.765 0.678 18166 2570 1 5 . 1 1 12 12 ASN N N 12 121.852 121.852 117.172 4.680 18166 2571 1 5 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.495 0.442 18166 2572 1 5 . 1 1 12 12 ASN CA C 12 51.380 51.380 53.565 -2.185 18166 2573 1 5 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.241 0.072 18166 2574 1 5 . 1 1 12 12 ASN H H 12 8.631 8.631 7.976 0.655 18166 2575 1 5 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.247 0.113 18166 2576 1 5 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.375 -1.226 18166 2577 1 5 . 1 1 13 13 PRO CB C 13 31.752 31.752 31.966 -0.214 18166 2578 1 5 . 1 1 14 14 ASP N N 14 119.643 119.643 114.416 5.227 18166 2579 1 5 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.616 -0.073 18166 2580 1 5 . 1 1 14 14 ASP CA C 14 54.028 54.028 54.035 -0.007 18166 2581 1 5 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.313 -1.551 18166 2582 1 5 . 1 1 14 14 ASP H H 14 8.344 8.344 7.793 0.551 18166 2583 1 5 . 1 1 15 15 LEU N N 15 123.333 123.333 125.540 -2.207 18166 2584 1 5 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.088 0.061 18166 2585 1 5 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.907 -1.464 18166 2586 1 5 . 1 1 15 15 LEU CB C 15 41.376 41.376 42.143 -0.767 18166 2587 1 5 . 1 1 15 15 LEU H H 15 8.119 8.119 8.591 -0.472 18166 2588 1 5 . 1 1 16 16 ALA N N 16 121.879 121.879 119.576 2.303 18166 2589 1 5 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.100 0.014 18166 2590 1 5 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.341 -0.971 18166 2591 1 5 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.750 -0.702 18166 2592 1 5 . 1 1 16 16 ALA H H 16 8.212 8.212 7.983 0.229 18166 2593 1 5 . 1 1 17 17 LEU N N 17 118.990 118.990 116.760 2.230 18166 2594 1 5 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.362 -0.223 18166 2595 1 5 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.471 -1.362 18166 2596 1 5 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.436 -1.060 18166 2597 1 5 . 1 1 17 17 LEU H H 17 7.719 7.719 7.559 0.160 18166 2598 1 5 . 1 1 18 18 MET N N 18 118.534 118.534 118.696 -0.162 18166 2599 1 5 . 1 1 18 18 MET HA H 18 4.274 4.274 4.336 -0.062 18166 2600 1 5 . 1 1 18 18 MET CA C 18 56.497 56.497 57.109 -0.612 18166 2601 1 5 . 1 1 18 18 MET CB C 18 31.787 31.787 31.280 0.506 18166 2602 1 5 . 1 1 18 18 MET H H 18 7.996 7.996 7.633 0.363 18166 2603 1 5 . 1 1 19 19 VAL N N 19 119.243 119.243 119.327 -0.084 18166 2604 1 5 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.800 0.033 18166 2605 1 5 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.704 -1.970 18166 2606 1 5 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.402 0.254 18166 2607 1 5 . 1 1 19 19 VAL H H 19 7.915 7.915 8.036 -0.121 18166 2608 1 5 . 1 1 20 20 LYS N N 20 123.321 123.321 118.002 5.319 18166 2609 1 5 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.228 -0.251 18166 2610 1 5 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.141 -0.798 18166 2611 1 5 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.890 0.106 18166 2612 1 5 . 1 1 20 20 LYS H H 20 8.139 8.139 7.687 0.452 18166 2613 1 5 . 1 1 21 21 ASN N N 21 118.732 118.732 120.017 -1.285 18166 2614 1 5 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.504 0.074 18166 2615 1 5 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.188 -1.948 18166 2616 1 5 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.191 -0.452 18166 2617 1 5 . 1 1 21 21 ASN H H 21 8.349 8.349 7.884 0.465 18166 2618 1 5 . 1 1 22 22 LYS N N 22 121.941 121.941 119.603 2.338 18166 2619 1 5 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.359 -0.335 18166 2620 1 5 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.981 -0.671 18166 2621 1 5 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.815 -0.296 18166 2622 1 5 . 1 1 22 22 LYS H H 22 8.185 8.185 7.706 0.479 18166 2623 1 5 . 1 1 23 23 GLY N N 23 107.792 107.792 108.643 -0.851 18166 2624 1 5 . 1 1 23 23 GLY CA C 23 47.766 47.766 47.021 0.745 18166 2625 1 5 . 1 1 23 23 GLY H H 23 8.336 8.336 7.983 0.353 18166 2626 1 5 . 1 1 24 24 ASN N N 24 120.049 120.049 120.704 -0.655 18166 2627 1 5 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.564 0.020 18166 2628 1 5 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.554 -0.353 18166 2629 1 5 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.248 -0.678 18166 2630 1 5 . 1 1 24 24 ASN H H 24 8.337 8.337 8.231 0.106 18166 2631 1 5 . 1 1 25 25 GLU N N 25 121.510 121.510 121.217 0.293 18166 2632 1 5 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.062 -0.015 18166 2633 1 5 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.456 -0.480 18166 2634 1 5 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.623 -0.520 18166 2635 1 5 . 1 1 25 25 GLU H H 25 8.366 8.366 8.116 0.250 18166 2636 1 5 . 1 1 26 26 CYS N N 26 116.512 116.512 118.254 -1.742 18166 2637 1 5 . 1 1 26 26 CYS HA H 26 4.102 4.102 3.989 0.113 18166 2638 1 5 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.304 -0.300 18166 2639 1 5 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.449 -0.193 18166 2640 1 5 . 1 1 26 26 CYS H H 26 8.092 8.092 7.936 0.156 18166 2641 1 5 . 1 1 27 27 PHE N N 27 122.066 122.066 120.466 1.600 18166 2642 1 5 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.506 -0.754 18166 2643 1 5 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.242 0.238 18166 2644 1 5 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.962 0.940 18166 2645 1 5 . 1 1 27 27 PHE H H 27 8.756 8.756 7.629 1.127 18166 2646 1 5 . 1 1 28 28 GLN N N 28 119.430 119.430 119.033 0.397 18166 2647 1 5 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.060 -0.044 18166 2648 1 5 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.993 0.132 18166 2649 1 5 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.221 -0.011 18166 2650 1 5 . 1 1 28 28 GLN H H 28 8.574 8.574 7.974 0.600 18166 2651 1 5 . 1 1 29 29 LYS N N 29 116.011 116.011 116.725 -0.714 18166 2652 1 5 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.273 -0.029 18166 2653 1 5 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.999 0.099 18166 2654 1 5 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.728 -0.193 18166 2655 1 5 . 1 1 29 29 LYS H H 29 7.410 7.410 7.778 -0.368 18166 2656 1 5 . 1 1 30 30 GLY N N 30 107.636 107.636 107.288 0.348 18166 2657 1 5 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.772 -0.189 18166 2658 1 5 . 1 1 30 30 GLY H H 30 7.566 7.566 7.809 -0.243 18166 2659 1 5 . 1 1 31 31 ASP N N 31 120.587 120.587 121.959 -1.372 18166 2660 1 5 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.801 -0.133 18166 2661 1 5 . 1 1 31 31 ASP CA C 31 51.041 51.041 52.524 -1.483 18166 2662 1 5 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.499 -1.781 18166 2663 1 5 . 1 1 31 31 ASP H H 31 7.826 7.826 7.674 0.152 18166 2664 1 5 . 1 1 32 32 TYR N N 32 120.190 120.190 126.407 -6.217 18166 2665 1 5 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.527 -0.755 18166 2666 1 5 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.781 0.473 18166 2667 1 5 . 1 1 32 32 TYR H H 32 7.313 7.313 8.141 -0.828 18166 2668 1 5 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.362 -0.142 18166 2669 1 5 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.945 0.410 18166 2670 1 5 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.562 -0.275 18166 2671 1 5 . 1 1 34 34 GLN N N 34 115.797 115.797 118.407 -2.610 18166 2672 1 5 . 1 1 34 34 GLN HA H 34 3.925 3.925 4.054 -0.129 18166 2673 1 5 . 1 1 34 34 GLN CA C 34 58.164 58.164 57.903 0.261 18166 2674 1 5 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.094 1.284 18166 2675 1 5 . 1 1 34 34 GLN H H 34 7.278 7.278 8.163 -0.885 18166 2676 1 5 . 1 1 35 35 ALA N N 35 121.852 121.852 123.121 -1.269 18166 2677 1 5 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.090 -0.018 18166 2678 1 5 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.919 0.678 18166 2679 1 5 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.871 0.674 18166 2680 1 5 . 1 1 35 35 ALA H H 35 8.376 8.376 8.345 0.031 18166 2681 1 5 . 1 1 36 36 MET N N 36 116.867 116.867 117.569 -0.702 18166 2682 1 5 . 1 1 36 36 MET HA H 36 3.887 3.887 4.062 -0.175 18166 2683 1 5 . 1 1 36 36 MET CA C 36 59.400 59.400 59.369 0.031 18166 2684 1 5 . 1 1 36 36 MET CB C 36 30.626 30.626 32.588 -1.962 18166 2685 1 5 . 1 1 36 36 MET H H 36 8.538 8.538 7.899 0.639 18166 2686 1 5 . 1 1 37 37 LYS N N 37 122.037 122.037 117.985 4.052 18166 2687 1 5 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.005 -0.093 18166 2688 1 5 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.198 0.027 18166 2689 1 5 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.024 0.172 18166 2690 1 5 . 1 1 37 37 LYS H H 37 7.599 7.599 7.808 -0.209 18166 2691 1 5 . 1 1 38 38 HIS N N 38 117.718 117.718 118.279 -0.561 18166 2692 1 5 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.694 -0.059 18166 2693 1 5 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.103 -0.103 18166 2694 1 5 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.447 -1.447 18166 2695 1 5 . 1 1 38 38 HIS H H 38 7.908 7.908 7.933 -0.025 18166 2696 1 5 . 1 1 39 39 TYR N N 39 118.987 118.987 119.113 -0.126 18166 2697 1 5 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.407 0.058 18166 2698 1 5 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.804 0.449 18166 2699 1 5 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.643 -0.852 18166 2700 1 5 . 1 1 39 39 TYR H H 39 9.156 9.156 8.064 1.092 18166 2701 1 5 . 1 1 40 40 THR N N 40 117.147 117.147 116.838 0.309 18166 2702 1 5 . 1 1 40 40 THR HA H 40 3.872 3.872 3.943 -0.071 18166 2703 1 5 . 1 1 40 40 THR CA C 40 67.449 67.449 67.093 0.356 18166 2704 1 5 . 1 1 40 40 THR CB C 40 68.728 68.728 68.506 0.222 18166 2705 1 5 . 1 1 40 40 THR H H 40 8.476 8.476 8.057 0.419 18166 2706 1 5 . 1 1 41 41 GLU N N 41 122.067 122.067 120.305 1.762 18166 2707 1 5 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.062 -0.083 18166 2708 1 5 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.282 -0.537 18166 2709 1 5 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.896 -0.173 18166 2710 1 5 . 1 1 41 41 GLU H H 41 7.762 7.762 8.116 -0.354 18166 2711 1 5 . 1 1 42 42 ALA N N 42 122.040 122.040 122.394 -0.354 18166 2712 1 5 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.160 -0.191 18166 2713 1 5 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.522 0.647 18166 2714 1 5 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.379 -0.009 18166 2715 1 5 . 1 1 42 42 ALA H H 42 8.191 8.191 7.592 0.599 18166 2716 1 5 . 1 1 43 43 ILE N N 43 122.662 122.662 118.299 4.363 18166 2717 1 5 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.961 -0.645 18166 2718 1 5 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.529 1.069 18166 2719 1 5 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.770 0.717 18166 2720 1 5 . 1 1 43 43 ILE H H 43 8.427 8.427 7.963 0.464 18166 2721 1 5 . 1 1 44 44 LYS N N 44 117.349 117.349 118.438 -1.089 18166 2722 1 5 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.119 -0.178 18166 2723 1 5 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.861 0.840 18166 2724 1 5 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.116 -0.125 18166 2725 1 5 . 1 1 44 44 LYS H H 44 7.473 7.473 7.631 -0.158 18166 2726 1 5 . 1 1 45 45 ARG N N 45 114.723 114.723 116.108 -1.385 18166 2727 1 5 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.315 -0.142 18166 2728 1 5 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.050 0.356 18166 2729 1 5 . 1 1 45 45 ARG CB C 45 30.337 30.337 30.970 -0.633 18166 2730 1 5 . 1 1 45 45 ARG H H 45 7.150 7.150 7.427 -0.277 18166 2731 1 5 . 1 1 46 46 ASN N N 46 115.919 115.919 116.169 -0.250 18166 2732 1 5 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.146 -0.073 18166 2733 1 5 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.353 -0.196 18166 2734 1 5 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.699 -1.068 18166 2735 1 5 . 1 1 46 46 ASN H H 46 7.885 7.885 8.084 -0.199 18166 2736 1 5 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.553 0.179 18166 2737 1 5 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.234 -0.029 18166 2738 1 5 . 1 1 47 47 PRO CB C 47 31.954 31.954 31.855 0.099 18166 2739 1 5 . 1 1 48 48 LYS N N 48 118.494 118.494 116.117 2.377 18166 2740 1 5 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.390 0.245 18166 2741 1 5 . 1 1 48 48 LYS CA C 48 55.000 55.000 55.902 -0.902 18166 2742 1 5 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.762 -0.334 18166 2743 1 5 . 1 1 48 48 LYS H H 48 8.154 8.154 8.147 0.007 18166 2744 1 5 . 1 1 49 49 ASP N N 49 119.387 119.387 121.287 -1.900 18166 2745 1 5 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.666 0.024 18166 2746 1 5 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.242 -1.363 18166 2747 1 5 . 1 1 49 49 ASP CB C 49 40.026 40.026 42.595 -2.569 18166 2748 1 5 . 1 1 49 49 ASP H H 49 7.317 7.317 7.350 -0.033 18166 2749 1 5 . 1 1 50 50 ALA N N 50 128.206 128.206 129.010 -0.804 18166 2750 1 5 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.118 -0.077 18166 2751 1 5 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.964 0.600 18166 2752 1 5 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.886 1.204 18166 2753 1 5 . 1 1 50 50 ALA H H 50 8.466 8.466 8.656 -0.190 18166 2754 1 5 . 1 1 51 51 LYS N N 51 113.628 113.628 119.628 -6.000 18166 2755 1 5 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.201 -0.324 18166 2756 1 5 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.290 1.024 18166 2757 1 5 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.207 0.113 18166 2758 1 5 . 1 1 51 51 LYS H H 51 7.985 7.985 8.075 -0.090 18166 2759 1 5 . 1 1 52 52 LEU N N 52 117.207 117.207 121.308 -4.101 18166 2760 1 5 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.843 -0.171 18166 2761 1 5 . 1 1 52 52 LEU CA C 52 57.278 57.278 58.264 -0.986 18166 2762 1 5 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.788 1.304 18166 2763 1 5 . 1 1 52 52 LEU H H 52 7.323 7.323 8.132 -0.809 18166 2764 1 5 . 1 1 53 53 TYR N N 53 116.167 116.167 117.636 -1.469 18166 2765 1 5 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.168 -0.290 18166 2766 1 5 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.019 0.554 18166 2767 1 5 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.915 0.232 18166 2768 1 5 . 1 1 53 53 TYR H H 53 6.955 6.955 7.914 -0.959 18166 2769 1 5 . 1 1 54 54 SER N N 54 112.799 112.799 114.287 -1.488 18166 2770 1 5 . 1 1 54 54 SER HA H 54 3.976 3.976 4.234 -0.258 18166 2771 1 5 . 1 1 54 54 SER CA C 54 61.200 61.200 61.119 0.081 18166 2772 1 5 . 1 1 54 54 SER CB C 54 62.184 62.184 62.462 -0.278 18166 2773 1 5 . 1 1 54 54 SER H H 54 7.661 7.661 7.679 -0.018 18166 2774 1 5 . 1 1 55 55 ASN N N 55 119.126 119.126 120.608 -1.482 18166 2775 1 5 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.309 -0.210 18166 2776 1 5 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.057 0.184 18166 2777 1 5 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.733 -1.456 18166 2778 1 5 . 1 1 55 55 ASN H H 55 7.729 7.729 7.955 -0.226 18166 2779 1 5 . 1 1 56 56 ARG N N 56 122.589 122.589 119.596 2.993 18166 2780 1 5 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.444 0.689 18166 2781 1 5 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.018 2.542 18166 2782 1 5 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.689 -0.619 18166 2783 1 5 . 1 1 56 56 ARG H H 56 8.329 8.329 7.552 0.777 18166 2784 1 5 . 1 1 57 57 ALA N N 57 122.569 122.569 120.987 1.582 18166 2785 1 5 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.214 0.046 18166 2786 1 5 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.688 1.387 18166 2787 1 5 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.137 1.752 18166 2788 1 5 . 1 1 57 57 ALA H H 57 8.857 8.857 7.794 1.063 18166 2789 1 5 . 1 1 58 58 ALA N N 58 120.015 120.015 121.059 -1.044 18166 2790 1 5 . 1 1 58 58 ALA HA H 58 4.083 4.083 3.947 0.136 18166 2791 1 5 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.730 0.320 18166 2792 1 5 . 1 1 58 58 ALA CB C 58 17.824 17.824 17.772 0.052 18166 2793 1 5 . 1 1 58 58 ALA H H 58 7.574 7.574 7.655 -0.081 18166 2794 1 5 . 1 1 59 59 CYS N N 59 117.074 117.074 117.086 -0.012 18166 2795 1 5 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.100 -0.038 18166 2796 1 5 . 1 1 59 59 CYS CA C 59 63.245 63.245 63.122 0.123 18166 2797 1 5 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.735 -0.908 18166 2798 1 5 . 1 1 59 59 CYS H H 59 7.523 7.523 7.077 0.446 18166 2799 1 5 . 1 1 60 60 TYR N N 60 118.554 118.554 119.281 -0.727 18166 2800 1 5 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.123 0.164 18166 2801 1 5 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.484 1.420 18166 2802 1 5 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.358 0.919 18166 2803 1 5 . 1 1 60 60 TYR H H 60 8.684 8.684 7.999 0.685 18166 2804 1 5 . 1 1 61 61 THR N N 61 116.951 116.951 111.553 5.398 18166 2805 1 5 . 1 1 61 61 THR HA H 61 4.264 4.264 2.807 1.457 18166 2806 1 5 . 1 1 61 61 THR CA C 61 67.645 67.645 65.449 2.196 18166 2807 1 5 . 1 1 61 61 THR CB C 61 67.784 67.784 68.274 -0.490 18166 2808 1 5 . 1 1 61 61 THR H H 61 8.572 8.572 7.975 0.597 18166 2809 1 5 . 1 1 62 62 LYS N N 62 122.578 122.578 121.741 0.837 18166 2810 1 5 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.264 -0.340 18166 2811 1 5 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.380 -1.174 18166 2812 1 5 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.251 -1.457 18166 2813 1 5 . 1 1 62 62 LYS H H 62 7.410 7.410 7.703 -0.293 18166 2814 1 5 . 1 1 63 63 LEU N N 63 117.404 117.404 117.989 -0.585 18166 2815 1 5 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.364 -0.148 18166 2816 1 5 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.128 -1.083 18166 2817 1 5 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.396 -0.753 18166 2818 1 5 . 1 1 63 63 LEU H H 63 7.397 7.397 7.665 -0.268 18166 2819 1 5 . 1 1 64 64 LEU N N 64 113.668 113.668 114.929 -1.261 18166 2820 1 5 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.187 -1.217 18166 2821 1 5 . 1 1 64 64 LEU CA C 64 54.818 54.818 55.927 -1.109 18166 2822 1 5 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.177 -1.926 18166 2823 1 5 . 1 1 64 64 LEU H H 64 7.457 7.457 7.633 -0.176 18166 2824 1 5 . 1 1 65 65 GLU N N 65 120.636 120.636 120.369 0.267 18166 2825 1 5 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.427 -0.024 18166 2826 1 5 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.934 -1.704 18166 2827 1 5 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.597 -0.507 18166 2828 1 5 . 1 1 65 65 GLU H H 65 8.085 8.085 8.227 -0.142 18166 2829 1 5 . 1 1 66 66 PHE N N 66 118.292 118.292 119.854 -1.562 18166 2830 1 5 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.106 -0.080 18166 2831 1 5 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.217 -1.228 18166 2832 1 5 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.839 -0.555 18166 2833 1 5 . 1 1 66 66 PHE H H 66 6.812 6.812 7.872 -1.060 18166 2834 1 5 . 1 1 67 67 GLN N N 67 117.166 117.166 117.731 -0.565 18166 2835 1 5 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.055 -0.072 18166 2836 1 5 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.688 -0.010 18166 2837 1 5 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.911 -1.067 18166 2838 1 5 . 1 1 67 67 GLN H H 67 8.589 8.589 8.562 0.027 18166 2839 1 5 . 1 1 68 68 LEU N N 68 119.871 119.871 119.605 0.266 18166 2840 1 5 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.954 -0.188 18166 2841 1 5 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.855 0.620 18166 2842 1 5 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.801 -2.781 18166 2843 1 5 . 1 1 68 68 LEU H H 68 7.422 7.422 7.827 -0.405 18166 2844 1 5 . 1 1 69 69 ALA N N 69 121.380 121.380 122.244 -0.864 18166 2845 1 5 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.181 -0.048 18166 2846 1 5 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.103 0.725 18166 2847 1 5 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.484 0.023 18166 2848 1 5 . 1 1 69 69 ALA H H 69 7.871 7.871 7.680 0.191 18166 2849 1 5 . 1 1 70 70 LEU N N 70 118.569 118.569 118.923 -0.354 18166 2850 1 5 . 1 1 70 70 LEU HA H 70 3.814 3.814 4.005 -0.191 18166 2851 1 5 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.517 1.062 18166 2852 1 5 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.942 -1.016 18166 2853 1 5 . 1 1 70 70 LEU H H 70 8.519 8.519 8.157 0.362 18166 2854 1 5 . 1 1 71 71 LYS N N 71 119.700 119.700 117.450 2.250 18166 2855 1 5 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.970 0.007 18166 2856 1 5 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.996 0.199 18166 2857 1 5 . 1 1 71 71 LYS H H 71 7.619 7.619 7.426 0.193 18166 2858 1 5 . 1 1 72 72 ASP N N 72 121.506 121.506 121.509 -0.003 18166 2859 1 5 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.634 -0.020 18166 2860 1 5 . 1 1 72 72 ASP CA C 72 57.293 57.293 58.471 -1.178 18166 2861 1 5 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.268 -1.286 18166 2862 1 5 . 1 1 72 72 ASP H H 72 7.460 7.460 8.515 -1.055 18166 2863 1 5 . 1 1 73 73 CYS N N 73 118.302 118.302 117.359 0.943 18166 2864 1 5 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.577 -0.743 18166 2865 1 5 . 1 1 73 73 CYS CA C 73 64.687 64.687 60.366 4.321 18166 2866 1 5 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.359 -0.813 18166 2867 1 5 . 1 1 73 73 CYS H H 73 8.366 8.366 7.640 0.726 18166 2868 1 5 . 1 1 74 74 GLU N N 74 117.660 117.660 120.422 -2.762 18166 2869 1 5 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.082 -0.181 18166 2870 1 5 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.602 -0.389 18166 2871 1 5 . 1 1 74 74 GLU CB C 74 28.016 28.016 28.881 -0.865 18166 2872 1 5 . 1 1 74 74 GLU H H 74 8.244 8.244 8.161 0.083 18166 2873 1 5 . 1 1 75 75 GLU N N 75 119.807 119.807 117.358 2.449 18166 2874 1 5 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.156 -0.263 18166 2875 1 5 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.433 -0.284 18166 2876 1 5 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.976 -3.302 18166 2877 1 5 . 1 1 75 75 GLU H H 75 7.394 7.394 7.667 -0.273 18166 2878 1 5 . 1 1 76 76 CYS N N 76 118.342 118.342 116.729 1.613 18166 2879 1 5 . 1 1 76 76 CYS HA H 76 3.841 3.841 4.047 -0.206 18166 2880 1 5 . 1 1 76 76 CYS CA C 76 64.303 64.303 60.238 4.065 18166 2881 1 5 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.503 -0.132 18166 2882 1 5 . 1 1 76 76 CYS H H 76 7.852 7.852 7.915 -0.063 18166 2883 1 5 . 1 1 77 77 ILE N N 77 117.728 117.728 120.151 -2.423 18166 2884 1 5 . 1 1 77 77 ILE HA H 77 3.480 3.480 3.476 0.004 18166 2885 1 5 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.670 0.539 18166 2886 1 5 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.824 0.725 18166 2887 1 5 . 1 1 77 77 ILE H H 77 7.897 7.897 6.974 0.923 18166 2888 1 5 . 1 1 78 78 GLN N N 78 117.037 117.037 116.653 0.384 18166 2889 1 5 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.094 -0.189 18166 2890 1 5 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.337 0.877 18166 2891 1 5 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.840 -0.490 18166 2892 1 5 . 1 1 78 78 GLN H H 78 7.655 7.655 7.538 0.117 18166 2893 1 5 . 1 1 79 79 LEU N N 79 118.180 118.180 119.062 -0.882 18166 2894 1 5 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.278 -0.183 18166 2895 1 5 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.270 0.245 18166 2896 1 5 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.974 1.070 18166 2897 1 5 . 1 1 79 79 LEU H H 79 8.021 8.021 7.045 0.976 18166 2898 1 5 . 1 1 80 80 GLU N N 80 117.250 117.250 116.699 0.551 18166 2899 1 5 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.738 0.098 18166 2900 1 5 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.263 0.279 18166 2901 1 5 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.207 -0.428 18166 2902 1 5 . 1 1 80 80 GLU H H 80 8.403 8.403 7.883 0.520 18166 2903 1 5 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.750 0.116 18166 2904 1 5 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.305 0.440 18166 2905 1 5 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.280 -0.528 18166 2906 1 5 . 1 1 82 82 THR N N 82 107.443 107.443 110.791 -3.348 18166 2907 1 5 . 1 1 82 82 THR HA H 82 4.607 4.607 4.423 0.184 18166 2908 1 5 . 1 1 82 82 THR CA C 82 61.139 61.139 61.371 -0.232 18166 2909 1 5 . 1 1 82 82 THR CB C 82 68.785 68.785 69.005 -0.220 18166 2910 1 5 . 1 1 82 82 THR H H 82 8.129 8.129 7.805 0.324 18166 2911 1 5 . 1 1 83 83 PHE N N 83 123.490 123.490 121.298 2.192 18166 2912 1 5 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.575 0.555 18166 2913 1 5 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.420 -0.708 18166 2914 1 5 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.169 0.094 18166 2915 1 5 . 1 1 83 83 PHE H H 83 8.022 8.022 7.820 0.202 18166 2916 1 5 . 1 1 84 84 ILE N N 84 131.837 131.837 126.241 5.596 18166 2917 1 5 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.846 0.104 18166 2918 1 5 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.259 -0.029 18166 2919 1 5 . 1 1 84 84 ILE CB C 84 37.969 37.969 38.155 -0.186 18166 2920 1 5 . 1 1 84 84 ILE H H 84 8.955 8.955 8.405 0.550 18166 2921 1 5 . 1 1 85 85 LYS N N 85 115.465 115.465 118.783 -3.318 18166 2922 1 5 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.099 0.359 18166 2923 1 5 . 1 1 85 85 LYS CA C 85 56.336 56.336 59.120 -2.784 18166 2924 1 5 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.172 0.309 18166 2925 1 5 . 1 1 85 85 LYS H H 85 6.000 6.000 8.512 -2.512 18166 2926 1 5 . 1 1 86 86 GLY N N 86 103.958 103.958 107.222 -3.264 18166 2927 1 5 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.106 1.055 18166 2928 1 5 . 1 1 86 86 GLY H H 86 6.966 6.966 8.546 -1.580 18166 2929 1 5 . 1 1 87 87 TYR N N 87 115.851 115.851 120.208 -4.357 18166 2930 1 5 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.214 -0.274 18166 2931 1 5 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.610 -0.413 18166 2932 1 5 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.872 0.361 18166 2933 1 5 . 1 1 87 87 TYR H H 87 6.814 6.814 7.283 -0.469 18166 2934 1 5 . 1 1 88 88 THR N N 88 109.840 109.840 112.973 -3.133 18166 2935 1 5 . 1 1 88 88 THR HA H 88 4.328 4.328 4.261 0.067 18166 2936 1 5 . 1 1 88 88 THR CA C 88 66.353 66.353 65.358 0.995 18166 2937 1 5 . 1 1 88 88 THR CB C 88 66.371 66.371 68.626 -2.255 18166 2938 1 5 . 1 1 88 88 THR H H 88 8.318 8.318 7.880 0.438 18166 2939 1 5 . 1 1 89 89 ARG N N 89 121.855 121.855 119.622 2.233 18166 2940 1 5 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.344 -0.267 18166 2941 1 5 . 1 1 89 89 ARG CA C 89 59.029 59.029 56.039 2.990 18166 2942 1 5 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.242 0.031 18166 2943 1 5 . 1 1 89 89 ARG H H 89 8.320 8.320 8.077 0.243 18166 2944 1 5 . 1 1 90 90 LYS N N 90 124.436 124.436 121.709 2.727 18166 2945 1 5 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.183 -0.254 18166 2946 1 5 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.952 0.910 18166 2947 1 5 . 1 1 90 90 LYS H H 90 7.379 7.379 8.053 -0.674 18166 2948 1 5 . 1 1 91 91 ALA N N 91 121.179 121.179 120.389 0.790 18166 2949 1 5 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.108 -0.616 18166 2950 1 5 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.184 -0.131 18166 2951 1 5 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.276 -2.831 18166 2952 1 5 . 1 1 91 91 ALA H H 91 8.460 8.460 7.862 0.598 18166 2953 1 5 . 1 1 92 92 ALA N N 92 118.165 118.165 120.649 -2.484 18166 2954 1 5 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.125 -0.001 18166 2955 1 5 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.646 0.221 18166 2956 1 5 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.552 -0.532 18166 2957 1 5 . 1 1 92 92 ALA H H 92 7.871 7.871 7.624 0.247 18166 2958 1 5 . 1 1 93 93 ALA N N 93 123.065 123.065 122.079 0.986 18166 2959 1 5 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.484 -0.494 18166 2960 1 5 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.820 0.517 18166 2961 1 5 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.552 -1.931 18166 2962 1 5 . 1 1 93 93 ALA H H 93 7.649 7.649 7.707 -0.058 18166 2963 1 5 . 1 1 94 94 LEU N N 94 117.762 117.762 119.854 -2.092 18166 2964 1 5 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.857 0.259 18166 2965 1 5 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.722 -0.072 18166 2966 1 5 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.351 0.451 18166 2967 1 5 . 1 1 94 94 LEU H H 94 7.847 7.847 8.526 -0.679 18166 2968 1 5 . 1 1 95 95 GLU N N 95 121.139 121.139 119.180 1.959 18166 2969 1 5 . 1 1 95 95 GLU HA H 95 3.355 3.355 3.905 -0.550 18166 2970 1 5 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.622 -0.494 18166 2971 1 5 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.661 -0.268 18166 2972 1 5 . 1 1 95 95 GLU H H 95 8.971 8.971 8.281 0.690 18166 2973 1 5 . 1 1 96 96 ALA N N 96 124.630 124.630 119.399 5.231 18166 2974 1 5 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.040 -0.089 18166 2975 1 5 . 1 1 96 96 ALA CA C 96 54.572 54.572 54.068 0.504 18166 2976 1 5 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.318 -0.959 18166 2977 1 5 . 1 1 96 96 ALA H H 96 7.890 7.890 7.594 0.296 18166 2978 1 5 . 1 1 97 97 MET N N 97 115.484 115.484 116.477 -0.993 18166 2979 1 5 . 1 1 97 97 MET HA H 97 3.714 3.714 4.402 -0.688 18166 2980 1 5 . 1 1 97 97 MET CA C 97 56.071 56.071 53.995 2.076 18166 2981 1 5 . 1 1 97 97 MET CB C 97 33.654 33.654 32.206 1.448 18166 2982 1 5 . 1 1 97 97 MET H H 97 7.155 7.155 7.408 -0.253 18166 2983 1 5 . 1 1 98 98 LYS N N 98 112.882 112.882 114.590 -1.708 18166 2984 1 5 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.246 -0.516 18166 2985 1 5 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.076 -0.324 18166 2986 1 5 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.002 -0.882 18166 2987 1 5 . 1 1 98 98 LYS H H 98 7.597 7.597 7.410 0.187 18166 2988 1 5 . 1 1 99 99 ASP N N 99 120.642 120.642 120.542 0.100 18166 2989 1 5 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.730 0.107 18166 2990 1 5 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.495 -2.733 18166 2991 1 5 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.205 -1.526 18166 2992 1 5 . 1 1 99 99 ASP H H 99 7.888 7.888 7.994 -0.106 18166 2993 1 5 . 1 1 100 100 TYR N N 100 117.948 117.948 119.763 -1.815 18166 2994 1 5 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.225 -0.280 18166 2995 1 5 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.484 1.450 18166 2996 1 5 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.312 0.327 18166 2997 1 5 . 1 1 100 100 TYR H H 100 6.984 6.984 7.078 -0.094 18166 2998 1 5 . 1 1 101 101 THR N N 101 113.752 113.752 108.831 4.921 18166 2999 1 5 . 1 1 101 101 THR HA H 101 4.008 4.008 4.141 -0.133 18166 3000 1 5 . 1 1 101 101 THR CA C 101 65.857 65.857 64.397 1.460 18166 3001 1 5 . 1 1 101 101 THR CB C 101 67.689 67.689 68.513 -0.824 18166 3002 1 5 . 1 1 101 101 THR H H 101 8.543 8.543 8.318 0.225 18166 3003 1 5 . 1 1 102 102 LYS N N 102 120.641 120.641 119.732 0.909 18166 3004 1 5 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.451 -0.309 18166 3005 1 5 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.227 1.859 18166 3006 1 5 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.714 -0.535 18166 3007 1 5 . 1 1 102 102 LYS H H 102 7.348 7.348 7.582 -0.234 18166 3008 1 5 . 1 1 103 103 ALA N N 103 120.302 120.302 123.332 -3.030 18166 3009 1 5 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.115 -0.450 18166 3010 1 5 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.327 0.329 18166 3011 1 5 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.616 0.273 18166 3012 1 5 . 1 1 103 103 ALA H H 103 8.344 8.344 8.195 0.149 18166 3013 1 5 . 1 1 104 104 MET N N 104 116.430 116.430 113.302 3.128 18166 3014 1 5 . 1 1 104 104 MET HA H 104 3.939 3.939 4.436 -0.497 18166 3015 1 5 . 1 1 104 104 MET CA C 104 61.020 61.020 58.573 2.447 18166 3016 1 5 . 1 1 104 104 MET CB C 104 33.904 33.904 32.483 1.421 18166 3017 1 5 . 1 1 104 104 MET H H 104 8.375 8.375 8.213 0.162 18166 3018 1 5 . 1 1 105 105 ASP N N 105 117.449 117.449 120.036 -2.587 18166 3019 1 5 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.655 -0.145 18166 3020 1 5 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.429 -0.316 18166 3021 1 5 . 1 1 105 105 ASP CB C 105 40.209 40.209 41.218 -1.009 18166 3022 1 5 . 1 1 105 105 ASP H H 105 7.319 7.319 7.879 -0.560 18166 3023 1 5 . 1 1 106 106 VAL N N 106 121.168 121.168 120.526 0.642 18166 3024 1 5 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.739 0.011 18166 3025 1 5 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.567 0.413 18166 3026 1 5 . 1 1 106 106 VAL CB C 106 30.761 30.761 32.114 -1.353 18166 3027 1 5 . 1 1 106 106 VAL H H 106 7.825 7.825 7.476 0.349 18166 3028 1 5 . 1 1 107 107 TYR N N 107 120.714 120.714 119.249 1.465 18166 3029 1 5 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.074 0.197 18166 3030 1 5 . 1 1 107 107 TYR CA C 107 62.453 62.453 60.809 1.644 18166 3031 1 5 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.632 0.522 18166 3032 1 5 . 1 1 107 107 TYR H H 107 9.215 9.215 8.498 0.717 18166 3033 1 5 . 1 1 108 108 GLN N N 108 117.293 117.293 119.353 -2.060 18166 3034 1 5 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.298 0.535 18166 3035 1 5 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.335 0.367 18166 3036 1 5 . 1 1 108 108 GLN CB C 108 28.245 28.245 27.734 0.511 18166 3037 1 5 . 1 1 108 108 GLN H H 108 8.605 8.605 7.862 0.743 18166 3038 1 5 . 1 1 109 109 LYS N N 109 120.342 120.342 118.385 1.957 18166 3039 1 5 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.815 0.187 18166 3040 1 5 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.045 0.492 18166 3041 1 5 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.549 -0.527 18166 3042 1 5 . 1 1 109 109 LYS H H 109 7.571 7.571 7.541 0.030 18166 3043 1 5 . 1 1 110 110 ALA N N 110 119.851 119.851 122.052 -2.201 18166 3044 1 5 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.955 -0.176 18166 3045 1 5 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.871 0.181 18166 3046 1 5 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.393 -0.705 18166 3047 1 5 . 1 1 110 110 ALA H H 110 7.693 7.693 7.555 0.138 18166 3048 1 5 . 1 1 111 111 LEU N N 111 117.859 117.859 117.638 0.221 18166 3049 1 5 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.184 -0.107 18166 3050 1 5 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.636 -0.425 18166 3051 1 5 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.783 0.026 18166 3052 1 5 . 1 1 111 111 LEU H H 111 7.811 7.811 7.893 -0.082 18166 3053 1 5 . 1 1 112 112 ASP N N 112 118.421 118.421 117.970 0.451 18166 3054 1 5 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.307 -0.056 18166 3055 1 5 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.514 -0.752 18166 3056 1 5 . 1 1 112 112 ASP CB C 112 39.195 39.195 40.915 -1.720 18166 3057 1 5 . 1 1 112 112 ASP H H 112 8.099 8.099 7.670 0.429 18166 3058 1 5 . 1 1 113 113 LEU N N 113 120.299 120.299 118.572 1.727 18166 3059 1 5 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.142 0.015 18166 3060 1 5 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.432 0.102 18166 3061 1 5 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.547 -0.068 18166 3062 1 5 . 1 1 113 113 LEU H H 113 7.319 7.319 7.245 0.074 18166 3063 1 5 . 1 1 114 114 ASP N N 114 118.196 118.196 113.855 4.341 18166 3064 1 5 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.772 -0.134 18166 3065 1 5 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.636 -0.448 18166 3066 1 5 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.080 -1.813 18166 3067 1 5 . 1 1 114 114 ASP H H 114 8.190 8.190 7.636 0.554 18166 3068 1 5 . 1 1 115 115 SER N N 115 121.421 121.421 119.958 1.463 18166 3069 1 5 . 1 1 115 115 SER HA H 115 4.272 4.272 4.189 0.083 18166 3070 1 5 . 1 1 115 115 SER CA C 115 60.133 60.133 61.397 -1.264 18166 3071 1 5 . 1 1 115 115 SER CB C 115 62.791 62.791 63.059 -0.268 18166 3072 1 5 . 1 1 115 115 SER H H 115 8.775 8.775 8.690 0.085 18166 3073 1 5 . 1 1 116 116 SER N N 116 116.860 116.860 118.013 -1.153 18166 3074 1 5 . 1 1 116 116 SER HA H 116 4.481 4.481 4.304 0.177 18166 3075 1 5 . 1 1 116 116 SER CA C 116 57.961 57.961 59.907 -1.946 18166 3076 1 5 . 1 1 116 116 SER CB C 116 63.960 63.960 62.571 1.389 18166 3077 1 5 . 1 1 116 116 SER H H 116 8.404 8.404 8.367 0.037 18166 3078 1 5 . 1 1 117 117 CYS N N 117 121.814 121.814 121.202 0.612 18166 3079 1 5 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.468 -0.157 18166 3080 1 5 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.119 0.853 18166 3081 1 5 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.173 -0.307 18166 3082 1 5 . 1 1 117 117 CYS H H 117 7.401 7.401 7.736 -0.335 18166 3083 1 5 . 1 1 118 118 LYS N N 118 105.939 105.939 120.743 -14.804 18166 3084 1 5 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.910 0.062 18166 3085 1 5 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.267 -0.400 18166 3086 1 5 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.596 0.760 18166 3087 1 5 . 1 1 118 118 LYS H H 118 8.647 8.647 8.066 0.581 18166 3088 1 5 . 1 1 119 119 GLU N N 119 117.724 117.724 118.203 -0.479 18166 3089 1 5 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.104 0.027 18166 3090 1 5 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.968 0.032 18166 3091 1 5 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.858 0.614 18166 3092 1 5 . 1 1 119 119 GLU H H 119 8.998 8.998 8.422 0.576 18166 3093 1 5 . 1 1 120 120 ALA N N 120 120.855 120.855 121.668 -0.813 18166 3094 1 5 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.200 0.168 18166 3095 1 5 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.714 -1.408 18166 3096 1 5 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.501 -0.388 18166 3097 1 5 . 1 1 120 120 ALA H H 120 7.494 7.494 8.267 -0.773 18166 3098 1 5 . 1 1 121 121 ALA N N 121 123.265 123.265 121.781 1.484 18166 3099 1 5 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.172 -0.177 18166 3100 1 5 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.935 -0.143 18166 3101 1 5 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.547 -0.743 18166 3102 1 5 . 1 1 121 121 ALA H H 121 7.914 7.914 7.543 0.371 18166 3103 1 5 . 1 1 122 122 ASP N N 122 118.732 118.732 118.514 0.218 18166 3104 1 5 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.338 -0.067 18166 3105 1 5 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.470 -1.228 18166 3106 1 5 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.806 -1.691 18166 3107 1 5 . 1 1 122 122 ASP H H 122 8.964 8.964 8.466 0.498 18166 3108 1 5 . 1 1 123 123 GLY N N 123 108.568 108.568 106.799 1.769 18166 3109 1 5 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.813 -0.199 18166 3110 1 5 . 1 1 123 123 GLY H H 123 7.572 7.572 7.938 -0.366 18166 3111 1 5 . 1 1 124 124 TYR N N 124 122.944 122.944 123.727 -0.783 18166 3112 1 5 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.864 -0.250 18166 3113 1 5 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.493 2.691 18166 3114 1 5 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.619 0.278 18166 3115 1 5 . 1 1 124 124 TYR H H 124 8.162 8.162 7.906 0.256 18166 3116 1 5 . 1 1 125 125 GLN N N 125 115.988 115.988 117.585 -1.597 18166 3117 1 5 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.556 0.319 18166 3118 1 5 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.864 -0.244 18166 3119 1 5 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.883 0.254 18166 3120 1 5 . 1 1 125 125 GLN H H 125 7.510 7.510 7.744 -0.234 18166 3121 1 5 . 1 1 126 126 ARG N N 126 118.626 118.626 119.060 -0.434 18166 3122 1 5 . 1 1 126 126 ARG HA H 126 3.933 3.933 3.996 -0.063 18166 3123 1 5 . 1 1 126 126 ARG CA C 126 59.817 59.817 59.134 0.683 18166 3124 1 5 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.376 0.716 18166 3125 1 5 . 1 1 126 126 ARG H H 126 8.139 8.139 7.541 0.598 18166 3126 1 5 . 1 1 127 127 CYS N N 127 116.985 116.985 118.198 -1.213 18166 3127 1 5 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.035 -0.146 18166 3128 1 5 . 1 1 127 127 CYS CA C 127 63.963 63.963 61.844 2.119 18166 3129 1 5 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.640 0.126 18166 3130 1 5 . 1 1 127 127 CYS H H 127 8.097 8.097 7.371 0.726 18166 3131 1 5 . 1 1 128 128 MET N N 128 120.493 120.493 118.255 2.238 18166 3132 1 5 . 1 1 128 128 MET HA H 128 3.989 3.989 3.748 0.240 18166 3133 1 5 . 1 1 128 128 MET CA C 128 58.420 58.420 58.327 0.093 18166 3134 1 5 . 1 1 128 128 MET CB C 128 31.539 31.539 31.757 -0.218 18166 3135 1 5 . 1 1 128 128 MET H H 128 8.163 8.163 7.888 0.275 18166 3136 1 5 . 1 1 129 129 MET N N 129 115.583 115.583 116.518 -0.935 18166 3137 1 5 . 1 1 129 129 MET HA H 129 4.211 4.211 4.293 -0.082 18166 3138 1 5 . 1 1 129 129 MET CA C 129 56.677 56.677 57.525 -0.848 18166 3139 1 5 . 1 1 129 129 MET CB C 129 31.951 31.951 32.184 -0.233 18166 3140 1 5 . 1 1 129 129 MET H H 129 7.723 7.723 7.333 0.390 18166 3141 1 5 . 1 1 130 130 ALA N N 130 121.061 121.061 121.231 -0.170 18166 3142 1 5 . 1 1 130 130 ALA HA H 130 3.908 3.908 4.084 -0.176 18166 3143 1 5 . 1 1 130 130 ALA CA C 130 53.080 53.080 53.649 -0.569 18166 3144 1 5 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.261 -1.757 18166 3145 1 5 . 1 1 130 130 ALA H H 130 7.458 7.458 7.373 0.085 18166 3146 1 5 . 1 1 131 131 GLN N N 131 114.560 114.560 114.748 -0.188 18166 3147 1 5 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.307 -0.301 18166 3148 1 5 . 1 1 131 131 GLN CA C 131 56.803 56.803 56.987 -0.184 18166 3149 1 5 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.660 -0.555 18166 3150 1 5 . 1 1 131 131 GLN H H 131 7.214 7.214 7.234 -0.020 18166 3151 1 5 . 1 1 132 132 TYR N N 132 117.856 117.856 119.007 -1.151 18166 3152 1 5 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.665 -0.023 18166 3153 1 5 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.464 2.094 18166 3154 1 5 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.991 1.321 18166 3155 1 5 . 1 1 132 132 TYR H H 132 7.545 7.545 7.360 0.185 18166 3156 1 6 . 1 1 2 2 GLY N N 2 109.986 109.986 112.929 -2.943 18166 3157 1 6 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.449 -0.639 18166 3158 1 6 . 1 1 2 2 GLY H H 2 8.520 8.520 8.950 -0.430 18166 3159 1 6 . 1 1 3 3 HIS N N 3 117.442 117.442 118.681 -1.239 18166 3160 1 6 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.177 0.443 18166 3161 1 6 . 1 1 3 3 HIS CB C 3 28.428 28.428 27.776 0.652 18166 3162 1 6 . 1 1 3 3 HIS H H 3 8.406 8.406 8.328 0.078 18166 3163 1 6 . 1 1 4 4 HIS N N 4 118.932 118.932 119.650 -0.718 18166 3164 1 6 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.616 0.012 18166 3165 1 6 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.216 -1.309 18166 3166 1 6 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.930 -2.732 18166 3167 1 6 . 1 1 4 4 HIS H H 4 8.552 8.552 8.615 -0.063 18166 3168 1 6 . 1 1 5 5 HIS N N 5 119.580 119.580 120.094 -0.514 18166 3169 1 6 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.526 0.122 18166 3170 1 6 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.599 -0.466 18166 3171 1 6 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.726 -1.965 18166 3172 1 6 . 1 1 5 5 HIS H H 5 8.615 8.615 8.612 0.003 18166 3173 1 6 . 1 1 6 6 HIS N N 6 121.369 121.369 124.125 -2.756 18166 3174 1 6 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.301 0.347 18166 3175 1 6 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.598 -0.649 18166 3176 1 6 . 1 1 6 6 HIS CB C 6 29.100 29.100 28.221 0.879 18166 3177 1 6 . 1 1 6 6 HIS H H 6 8.732 8.732 8.214 0.518 18166 3178 1 6 . 1 1 7 7 HIS N N 7 120.276 120.276 121.815 -1.539 18166 3179 1 6 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.661 -0.019 18166 3180 1 6 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.652 -0.505 18166 3181 1 6 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.534 -1.709 18166 3182 1 6 . 1 1 7 7 HIS H H 7 8.708 8.708 7.744 0.964 18166 3183 1 6 . 1 1 8 8 HIS N N 8 120.007 120.007 122.990 -2.983 18166 3184 1 6 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.743 -0.047 18166 3185 1 6 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.444 -0.583 18166 3186 1 6 . 1 1 8 8 HIS CB C 8 28.696 28.696 31.960 -3.264 18166 3187 1 6 . 1 1 8 8 HIS H H 8 8.708 8.708 8.722 -0.014 18166 3188 1 6 . 1 1 9 9 SER N N 9 117.977 117.977 115.804 2.173 18166 3189 1 6 . 1 1 9 9 SER HA H 9 4.404 4.404 4.689 -0.285 18166 3190 1 6 . 1 1 9 9 SER CA C 9 57.718 57.718 57.264 0.454 18166 3191 1 6 . 1 1 9 9 SER CB C 9 63.246 63.246 64.624 -1.379 18166 3192 1 6 . 1 1 9 9 SER H H 9 8.535 8.535 8.539 -0.004 18166 3193 1 6 . 1 1 10 10 HIS N N 10 120.441 120.441 121.654 -1.213 18166 3194 1 6 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.629 0.066 18166 3195 1 6 . 1 1 10 10 HIS H H 10 8.744 8.744 8.883 -0.139 18166 3196 1 6 . 1 1 11 11 MET N N 11 122.004 122.004 119.818 2.186 18166 3197 1 6 . 1 1 11 11 MET HA H 11 4.427 4.427 4.522 -0.095 18166 3198 1 6 . 1 1 11 11 MET CA C 11 54.665 54.665 54.858 -0.193 18166 3199 1 6 . 1 1 11 11 MET CB C 11 32.913 32.913 33.358 -0.445 18166 3200 1 6 . 1 1 11 11 MET H H 11 8.443 8.443 7.803 0.640 18166 3201 1 6 . 1 1 12 12 ASN N N 12 121.852 121.852 120.204 1.648 18166 3202 1 6 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.794 0.143 18166 3203 1 6 . 1 1 12 12 ASN CA C 12 51.380 51.380 52.298 -0.918 18166 3204 1 6 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.160 0.153 18166 3205 1 6 . 1 1 12 12 ASN H H 12 8.631 8.631 7.847 0.784 18166 3206 1 6 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.224 0.136 18166 3207 1 6 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.138 -0.989 18166 3208 1 6 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.237 -0.485 18166 3209 1 6 . 1 1 14 14 ASP N N 14 119.643 119.643 116.669 2.974 18166 3210 1 6 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.557 -0.014 18166 3211 1 6 . 1 1 14 14 ASP CA C 14 54.028 54.028 54.063 -0.035 18166 3212 1 6 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.428 -1.666 18166 3213 1 6 . 1 1 14 14 ASP H H 14 8.344 8.344 7.653 0.691 18166 3214 1 6 . 1 1 15 15 LEU N N 15 123.333 123.333 125.385 -2.052 18166 3215 1 6 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.084 0.065 18166 3216 1 6 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.115 -0.673 18166 3217 1 6 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.717 -0.341 18166 3218 1 6 . 1 1 15 15 LEU H H 15 8.119 8.119 8.642 -0.523 18166 3219 1 6 . 1 1 16 16 ALA N N 16 121.879 121.879 120.877 1.002 18166 3220 1 6 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.071 0.043 18166 3221 1 6 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.571 -1.200 18166 3222 1 6 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.743 -0.695 18166 3223 1 6 . 1 1 16 16 ALA H H 16 8.212 8.212 8.071 0.141 18166 3224 1 6 . 1 1 17 17 LEU N N 17 118.990 118.990 114.619 4.371 18166 3225 1 6 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.408 -0.269 18166 3226 1 6 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.008 -0.899 18166 3227 1 6 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.110 -0.734 18166 3228 1 6 . 1 1 17 17 LEU H H 17 7.719 7.719 7.564 0.155 18166 3229 1 6 . 1 1 18 18 MET N N 18 118.534 118.534 117.419 1.115 18166 3230 1 6 . 1 1 18 18 MET HA H 18 4.274 4.274 4.403 -0.129 18166 3231 1 6 . 1 1 18 18 MET CA C 18 56.497 56.497 56.525 -0.028 18166 3232 1 6 . 1 1 18 18 MET CB C 18 31.787 31.787 32.054 -0.267 18166 3233 1 6 . 1 1 18 18 MET H H 18 7.996 7.996 7.606 0.390 18166 3234 1 6 . 1 1 19 19 VAL N N 19 119.243 119.243 118.966 0.277 18166 3235 1 6 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.804 0.029 18166 3236 1 6 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.103 -1.369 18166 3237 1 6 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.756 -0.100 18166 3238 1 6 . 1 1 19 19 VAL H H 19 7.915 7.915 7.886 0.029 18166 3239 1 6 . 1 1 20 20 LYS N N 20 123.321 123.321 117.748 5.573 18166 3240 1 6 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.288 -0.311 18166 3241 1 6 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.123 -0.780 18166 3242 1 6 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.754 0.242 18166 3243 1 6 . 1 1 20 20 LYS H H 20 8.139 8.139 7.659 0.480 18166 3244 1 6 . 1 1 21 21 ASN N N 21 118.732 118.732 118.667 0.065 18166 3245 1 6 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.592 -0.014 18166 3246 1 6 . 1 1 21 21 ASN CA C 21 54.240 54.240 55.388 -1.148 18166 3247 1 6 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.290 -0.551 18166 3248 1 6 . 1 1 21 21 ASN H H 21 8.349 8.349 7.691 0.658 18166 3249 1 6 . 1 1 22 22 LYS N N 22 121.941 121.941 120.049 1.892 18166 3250 1 6 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.223 -0.199 18166 3251 1 6 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.932 -0.622 18166 3252 1 6 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.544 -0.025 18166 3253 1 6 . 1 1 22 22 LYS H H 22 8.185 8.185 7.427 0.758 18166 3254 1 6 . 1 1 23 23 GLY N N 23 107.792 107.792 108.276 -0.484 18166 3255 1 6 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.448 1.318 18166 3256 1 6 . 1 1 23 23 GLY H H 23 8.336 8.336 7.783 0.553 18166 3257 1 6 . 1 1 24 24 ASN N N 24 120.049 120.049 120.122 -0.073 18166 3258 1 6 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.674 -0.090 18166 3259 1 6 . 1 1 24 24 ASN CA C 24 55.201 55.201 56.030 -0.829 18166 3260 1 6 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.850 -1.280 18166 3261 1 6 . 1 1 24 24 ASN H H 24 8.337 8.337 7.881 0.456 18166 3262 1 6 . 1 1 25 25 GLU N N 25 121.510 121.510 120.067 1.443 18166 3263 1 6 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.015 0.032 18166 3264 1 6 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.315 -0.338 18166 3265 1 6 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.501 -0.398 18166 3266 1 6 . 1 1 25 25 GLU H H 25 8.366 8.366 7.858 0.508 18166 3267 1 6 . 1 1 26 26 CYS N N 26 116.512 116.512 117.892 -1.380 18166 3268 1 6 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.046 0.056 18166 3269 1 6 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.805 0.199 18166 3270 1 6 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.044 0.212 18166 3271 1 6 . 1 1 26 26 CYS H H 26 8.092 8.092 7.793 0.299 18166 3272 1 6 . 1 1 27 27 PHE N N 27 122.066 122.066 118.270 3.796 18166 3273 1 6 . 1 1 27 27 PHE HA H 27 3.752 3.752 3.986 -0.234 18166 3274 1 6 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.381 0.099 18166 3275 1 6 . 1 1 27 27 PHE CB C 27 39.902 39.902 37.692 2.210 18166 3276 1 6 . 1 1 27 27 PHE H H 27 8.756 8.756 7.530 1.226 18166 3277 1 6 . 1 1 28 28 GLN N N 28 119.430 119.430 117.918 1.512 18166 3278 1 6 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.164 -0.148 18166 3279 1 6 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.073 0.052 18166 3280 1 6 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.006 0.204 18166 3281 1 6 . 1 1 28 28 GLN H H 28 8.574 8.574 7.892 0.682 18166 3282 1 6 . 1 1 29 29 LYS N N 29 116.011 116.011 116.402 -0.391 18166 3283 1 6 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.414 -0.170 18166 3284 1 6 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.483 0.615 18166 3285 1 6 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.590 -0.054 18166 3286 1 6 . 1 1 29 29 LYS H H 29 7.410 7.410 7.620 -0.210 18166 3287 1 6 . 1 1 30 30 GLY N N 30 107.636 107.636 108.433 -0.797 18166 3288 1 6 . 1 1 30 30 GLY CA C 30 44.583 44.583 45.005 -0.422 18166 3289 1 6 . 1 1 30 30 GLY H H 30 7.566 7.566 7.942 -0.376 18166 3290 1 6 . 1 1 31 31 ASP N N 31 120.587 120.587 122.466 -1.879 18166 3291 1 6 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.987 -0.319 18166 3292 1 6 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.395 -2.354 18166 3293 1 6 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.364 -1.646 18166 3294 1 6 . 1 1 31 31 ASP H H 31 7.826 7.826 8.038 -0.212 18166 3295 1 6 . 1 1 32 32 TYR N N 32 120.190 120.190 125.352 -5.162 18166 3296 1 6 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.387 -0.615 18166 3297 1 6 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.556 -0.302 18166 3298 1 6 . 1 1 32 32 TYR H H 32 7.313 7.313 8.405 -1.092 18166 3299 1 6 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.244 -0.024 18166 3300 1 6 . 1 1 33 33 PRO CA C 33 66.355 66.355 66.039 0.316 18166 3301 1 6 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.715 -0.427 18166 3302 1 6 . 1 1 34 34 GLN N N 34 115.797 115.797 117.313 -1.516 18166 3303 1 6 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.896 0.029 18166 3304 1 6 . 1 1 34 34 GLN CA C 34 58.164 58.164 59.070 -0.906 18166 3305 1 6 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.871 0.507 18166 3306 1 6 . 1 1 34 34 GLN H H 34 7.278 7.278 8.549 -1.271 18166 3307 1 6 . 1 1 35 35 ALA N N 35 121.852 121.852 121.105 0.747 18166 3308 1 6 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.667 0.405 18166 3309 1 6 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.617 0.980 18166 3310 1 6 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.241 1.304 18166 3311 1 6 . 1 1 35 35 ALA H H 35 8.376 8.376 7.413 0.963 18166 3312 1 6 . 1 1 36 36 MET N N 36 116.867 116.867 117.530 -0.663 18166 3313 1 6 . 1 1 36 36 MET HA H 36 3.887 3.887 4.152 -0.265 18166 3314 1 6 . 1 1 36 36 MET CA C 36 59.400 59.400 58.833 0.567 18166 3315 1 6 . 1 1 36 36 MET CB C 36 30.626 30.626 32.565 -1.939 18166 3316 1 6 . 1 1 36 36 MET H H 36 8.538 8.538 7.606 0.932 18166 3317 1 6 . 1 1 37 37 LYS N N 37 122.037 122.037 119.119 2.918 18166 3318 1 6 . 1 1 37 37 LYS HA H 37 3.912 3.912 3.935 -0.023 18166 3319 1 6 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.265 -0.040 18166 3320 1 6 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.021 0.175 18166 3321 1 6 . 1 1 37 37 LYS H H 37 7.599 7.599 7.578 0.021 18166 3322 1 6 . 1 1 38 38 HIS N N 38 117.718 117.718 117.558 0.160 18166 3323 1 6 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.550 0.085 18166 3324 1 6 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.405 -0.405 18166 3325 1 6 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.486 -1.486 18166 3326 1 6 . 1 1 38 38 HIS H H 38 7.908 7.908 7.823 0.085 18166 3327 1 6 . 1 1 39 39 TYR N N 39 118.987 118.987 119.327 -0.340 18166 3328 1 6 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.411 0.054 18166 3329 1 6 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.483 0.770 18166 3330 1 6 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.160 -0.369 18166 3331 1 6 . 1 1 39 39 TYR H H 39 9.156 9.156 7.862 1.294 18166 3332 1 6 . 1 1 40 40 THR N N 40 117.147 117.147 116.376 0.771 18166 3333 1 6 . 1 1 40 40 THR HA H 40 3.872 3.872 3.933 -0.061 18166 3334 1 6 . 1 1 40 40 THR CA C 40 67.449 67.449 67.012 0.437 18166 3335 1 6 . 1 1 40 40 THR CB C 40 68.728 68.728 68.380 0.348 18166 3336 1 6 . 1 1 40 40 THR H H 40 8.476 8.476 7.801 0.675 18166 3337 1 6 . 1 1 41 41 GLU N N 41 122.067 122.067 120.069 1.998 18166 3338 1 6 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.163 -0.184 18166 3339 1 6 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.696 0.049 18166 3340 1 6 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.883 -0.160 18166 3341 1 6 . 1 1 41 41 GLU H H 41 7.762 7.762 7.723 0.039 18166 3342 1 6 . 1 1 42 42 ALA N N 42 122.040 122.040 121.553 0.487 18166 3343 1 6 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.125 -0.156 18166 3344 1 6 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.644 0.525 18166 3345 1 6 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.918 -0.548 18166 3346 1 6 . 1 1 42 42 ALA H H 42 8.191 8.191 7.309 0.882 18166 3347 1 6 . 1 1 43 43 ILE N N 43 122.662 122.662 117.214 5.448 18166 3348 1 6 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.727 -0.411 18166 3349 1 6 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.923 0.675 18166 3350 1 6 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.952 0.535 18166 3351 1 6 . 1 1 43 43 ILE H H 43 8.427 8.427 8.031 0.396 18166 3352 1 6 . 1 1 44 44 LYS N N 44 117.349 117.349 116.915 0.434 18166 3353 1 6 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.146 -0.205 18166 3354 1 6 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.629 1.072 18166 3355 1 6 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.944 0.047 18166 3356 1 6 . 1 1 44 44 LYS H H 44 7.473 7.473 7.530 -0.057 18166 3357 1 6 . 1 1 45 45 ARG N N 45 114.723 114.723 116.543 -1.820 18166 3358 1 6 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.450 -0.277 18166 3359 1 6 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.785 0.620 18166 3360 1 6 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.558 -1.221 18166 3361 1 6 . 1 1 45 45 ARG H H 45 7.150 7.150 7.634 -0.484 18166 3362 1 6 . 1 1 46 46 ASN N N 46 115.919 115.919 116.346 -0.427 18166 3363 1 6 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.128 -0.055 18166 3364 1 6 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.166 -0.009 18166 3365 1 6 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.553 -0.923 18166 3366 1 6 . 1 1 46 46 ASN H H 46 7.885 7.885 8.020 -0.135 18166 3367 1 6 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.504 0.228 18166 3368 1 6 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.790 -0.585 18166 3369 1 6 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.256 -0.302 18166 3370 1 6 . 1 1 48 48 LYS N N 48 118.494 118.494 116.153 2.341 18166 3371 1 6 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.294 0.341 18166 3372 1 6 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.188 -1.188 18166 3373 1 6 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.300 0.127 18166 3374 1 6 . 1 1 48 48 LYS H H 48 8.154 8.154 8.291 -0.137 18166 3375 1 6 . 1 1 49 49 ASP N N 49 119.387 119.387 122.389 -3.002 18166 3376 1 6 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.858 -0.168 18166 3377 1 6 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.683 -1.805 18166 3378 1 6 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.436 -0.410 18166 3379 1 6 . 1 1 49 49 ASP H H 49 7.317 7.317 7.594 -0.277 18166 3380 1 6 . 1 1 50 50 ALA N N 50 128.206 128.206 129.571 -1.365 18166 3381 1 6 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.266 -0.225 18166 3382 1 6 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.340 1.224 18166 3383 1 6 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.299 1.791 18166 3384 1 6 . 1 1 50 50 ALA H H 50 8.466 8.466 8.576 -0.110 18166 3385 1 6 . 1 1 51 51 LYS N N 51 113.628 113.628 118.036 -4.408 18166 3386 1 6 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.222 -0.345 18166 3387 1 6 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.860 0.454 18166 3388 1 6 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.762 -0.442 18166 3389 1 6 . 1 1 51 51 LYS H H 51 7.985 7.985 7.931 0.054 18166 3390 1 6 . 1 1 52 52 LEU N N 52 117.207 117.207 120.146 -2.939 18166 3391 1 6 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.852 -0.180 18166 3392 1 6 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.463 -0.185 18166 3393 1 6 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.869 1.223 18166 3394 1 6 . 1 1 52 52 LEU H H 52 7.323 7.323 7.439 -0.116 18166 3395 1 6 . 1 1 53 53 TYR N N 53 116.167 116.167 116.861 -0.694 18166 3396 1 6 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.159 -0.281 18166 3397 1 6 . 1 1 53 53 TYR CA C 53 61.573 61.573 60.206 1.367 18166 3398 1 6 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.152 0.995 18166 3399 1 6 . 1 1 53 53 TYR H H 53 6.955 6.955 7.497 -0.542 18166 3400 1 6 . 1 1 54 54 SER N N 54 112.799 112.799 115.942 -3.143 18166 3401 1 6 . 1 1 54 54 SER HA H 54 3.976 3.976 4.193 -0.217 18166 3402 1 6 . 1 1 54 54 SER CA C 54 61.200 61.200 61.811 -0.611 18166 3403 1 6 . 1 1 54 54 SER CB C 54 62.184 62.184 62.943 -0.759 18166 3404 1 6 . 1 1 54 54 SER H H 54 7.661 7.661 8.064 -0.403 18166 3405 1 6 . 1 1 55 55 ASN N N 55 119.126 119.126 119.572 -0.446 18166 3406 1 6 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.528 -0.429 18166 3407 1 6 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.511 -0.270 18166 3408 1 6 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.834 -1.557 18166 3409 1 6 . 1 1 55 55 ASN H H 55 7.729 7.729 7.555 0.174 18166 3410 1 6 . 1 1 56 56 ARG N N 56 122.589 122.589 121.586 1.003 18166 3411 1 6 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.795 0.338 18166 3412 1 6 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.489 3.071 18166 3413 1 6 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.553 -0.484 18166 3414 1 6 . 1 1 56 56 ARG H H 56 8.329 8.329 7.755 0.574 18166 3415 1 6 . 1 1 57 57 ALA N N 57 122.569 122.569 120.523 2.046 18166 3416 1 6 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.211 0.049 18166 3417 1 6 . 1 1 57 57 ALA CA C 57 56.075 56.075 55.134 0.941 18166 3418 1 6 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.395 1.494 18166 3419 1 6 . 1 1 57 57 ALA H H 57 8.857 8.857 7.966 0.891 18166 3420 1 6 . 1 1 58 58 ALA N N 58 120.015 120.015 121.373 -1.358 18166 3421 1 6 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.080 0.003 18166 3422 1 6 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.570 0.480 18166 3423 1 6 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.064 -0.241 18166 3424 1 6 . 1 1 58 58 ALA H H 58 7.574 7.574 7.734 -0.160 18166 3425 1 6 . 1 1 59 59 CYS N N 59 117.074 117.074 117.894 -0.820 18166 3426 1 6 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.242 -0.180 18166 3427 1 6 . 1 1 59 59 CYS CA C 59 63.245 63.245 63.673 -0.428 18166 3428 1 6 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.257 -0.430 18166 3429 1 6 . 1 1 59 59 CYS H H 59 7.523 7.523 7.702 -0.179 18166 3430 1 6 . 1 1 60 60 TYR N N 60 118.554 118.554 118.589 -0.035 18166 3431 1 6 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.154 0.133 18166 3432 1 6 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.632 1.272 18166 3433 1 6 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.428 0.849 18166 3434 1 6 . 1 1 60 60 TYR H H 60 8.684 8.684 8.162 0.522 18166 3435 1 6 . 1 1 61 61 THR N N 61 116.951 116.951 111.052 5.899 18166 3436 1 6 . 1 1 61 61 THR HA H 61 4.264 4.264 2.990 1.274 18166 3437 1 6 . 1 1 61 61 THR CA C 61 67.645 67.645 65.540 2.105 18166 3438 1 6 . 1 1 61 61 THR CB C 61 67.784 67.784 68.030 -0.246 18166 3439 1 6 . 1 1 61 61 THR H H 61 8.572 8.572 8.151 0.421 18166 3440 1 6 . 1 1 62 62 LYS N N 62 122.578 122.578 120.521 2.057 18166 3441 1 6 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.210 -0.286 18166 3442 1 6 . 1 1 62 62 LYS CA C 62 57.206 57.206 57.291 -0.085 18166 3443 1 6 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.934 -1.140 18166 3444 1 6 . 1 1 62 62 LYS H H 62 7.410 7.410 7.533 -0.123 18166 3445 1 6 . 1 1 63 63 LEU N N 63 117.404 117.404 118.321 -0.917 18166 3446 1 6 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.347 -0.131 18166 3447 1 6 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.054 -1.010 18166 3448 1 6 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.367 -0.724 18166 3449 1 6 . 1 1 63 63 LEU H H 63 7.397 7.397 7.758 -0.361 18166 3450 1 6 . 1 1 64 64 LEU N N 64 113.668 113.668 114.908 -1.240 18166 3451 1 6 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.304 -1.334 18166 3452 1 6 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.037 -1.219 18166 3453 1 6 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.311 -2.060 18166 3454 1 6 . 1 1 64 64 LEU H H 64 7.457 7.457 7.626 -0.169 18166 3455 1 6 . 1 1 65 65 GLU N N 65 120.636 120.636 120.372 0.264 18166 3456 1 6 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.492 -0.089 18166 3457 1 6 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.906 -1.676 18166 3458 1 6 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.501 -0.411 18166 3459 1 6 . 1 1 65 65 GLU H H 65 8.085 8.085 8.199 -0.114 18166 3460 1 6 . 1 1 66 66 PHE N N 66 118.292 118.292 120.119 -1.827 18166 3461 1 6 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.130 -0.104 18166 3462 1 6 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.208 -1.219 18166 3463 1 6 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.783 -0.500 18166 3464 1 6 . 1 1 66 66 PHE H H 66 6.812 6.812 7.997 -1.185 18166 3465 1 6 . 1 1 67 67 GLN N N 67 117.166 117.166 117.507 -0.341 18166 3466 1 6 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.014 -0.031 18166 3467 1 6 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.916 -0.238 18166 3468 1 6 . 1 1 67 67 GLN CB C 67 26.844 26.844 28.082 -1.238 18166 3469 1 6 . 1 1 67 67 GLN H H 67 8.589 8.589 8.708 -0.119 18166 3470 1 6 . 1 1 68 68 LEU N N 68 119.871 119.871 119.379 0.492 18166 3471 1 6 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.882 -0.116 18166 3472 1 6 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.773 0.702 18166 3473 1 6 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.739 -2.719 18166 3474 1 6 . 1 1 68 68 LEU H H 68 7.422 7.422 7.785 -0.363 18166 3475 1 6 . 1 1 69 69 ALA N N 69 121.380 121.380 122.334 -0.954 18166 3476 1 6 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.219 -0.086 18166 3477 1 6 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.200 0.628 18166 3478 1 6 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.494 0.014 18166 3479 1 6 . 1 1 69 69 ALA H H 69 7.871 7.871 7.811 0.060 18166 3480 1 6 . 1 1 70 70 LEU N N 70 118.569 118.569 119.448 -0.879 18166 3481 1 6 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.960 -0.146 18166 3482 1 6 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.826 0.753 18166 3483 1 6 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.861 -0.936 18166 3484 1 6 . 1 1 70 70 LEU H H 70 8.519 8.519 8.280 0.239 18166 3485 1 6 . 1 1 71 71 LYS N N 71 119.700 119.700 117.002 2.698 18166 3486 1 6 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.169 -0.192 18166 3487 1 6 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.622 0.573 18166 3488 1 6 . 1 1 71 71 LYS H H 71 7.619 7.619 7.503 0.116 18166 3489 1 6 . 1 1 72 72 ASP N N 72 121.506 121.506 121.238 0.268 18166 3490 1 6 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.375 0.239 18166 3491 1 6 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.867 -0.574 18166 3492 1 6 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.693 -1.711 18166 3493 1 6 . 1 1 72 72 ASP H H 72 7.460 7.460 8.438 -0.978 18166 3494 1 6 . 1 1 73 73 CYS N N 73 118.302 118.302 116.689 1.613 18166 3495 1 6 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.026 -0.192 18166 3496 1 6 . 1 1 73 73 CYS CA C 73 64.687 64.687 62.204 2.483 18166 3497 1 6 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.394 -0.848 18166 3498 1 6 . 1 1 73 73 CYS H H 73 8.366 8.366 7.565 0.801 18166 3499 1 6 . 1 1 74 74 GLU N N 74 117.660 117.660 120.813 -3.153 18166 3500 1 6 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.067 -0.166 18166 3501 1 6 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.020 -0.807 18166 3502 1 6 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.372 -1.356 18166 3503 1 6 . 1 1 74 74 GLU H H 74 8.244 8.244 8.031 0.213 18166 3504 1 6 . 1 1 75 75 GLU N N 75 119.807 119.807 117.204 2.603 18166 3505 1 6 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.226 -0.333 18166 3506 1 6 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.191 -0.042 18166 3507 1 6 . 1 1 75 75 GLU CB C 75 26.674 26.674 30.154 -3.479 18166 3508 1 6 . 1 1 75 75 GLU H H 75 7.394 7.394 7.803 -0.409 18166 3509 1 6 . 1 1 76 76 CYS N N 76 118.342 118.342 119.110 -0.768 18166 3510 1 6 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.849 -0.008 18166 3511 1 6 . 1 1 76 76 CYS CA C 76 64.303 64.303 63.808 0.495 18166 3512 1 6 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.985 -0.614 18166 3513 1 6 . 1 1 76 76 CYS H H 76 7.852 7.852 8.047 -0.195 18166 3514 1 6 . 1 1 77 77 ILE N N 77 117.728 117.728 120.307 -2.579 18166 3515 1 6 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.255 -0.775 18166 3516 1 6 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.150 0.059 18166 3517 1 6 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.987 0.562 18166 3518 1 6 . 1 1 77 77 ILE H H 77 7.897 7.897 7.559 0.338 18166 3519 1 6 . 1 1 78 78 GLN N N 78 117.037 117.037 116.924 0.113 18166 3520 1 6 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.175 -0.270 18166 3521 1 6 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.131 1.083 18166 3522 1 6 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.984 -0.634 18166 3523 1 6 . 1 1 78 78 GLN H H 78 7.655 7.655 7.828 -0.173 18166 3524 1 6 . 1 1 79 79 LEU N N 79 118.180 118.180 119.004 -0.824 18166 3525 1 6 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.347 -0.252 18166 3526 1 6 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.958 0.557 18166 3527 1 6 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.312 0.731 18166 3528 1 6 . 1 1 79 79 LEU H H 79 8.021 8.021 7.172 0.849 18166 3529 1 6 . 1 1 80 80 GLU N N 80 117.250 117.250 117.201 0.049 18166 3530 1 6 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.730 0.106 18166 3531 1 6 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.526 0.016 18166 3532 1 6 . 1 1 80 80 GLU CB C 80 30.779 30.779 32.099 -1.320 18166 3533 1 6 . 1 1 80 80 GLU H H 80 8.403 8.403 8.025 0.378 18166 3534 1 6 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.947 -0.081 18166 3535 1 6 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.135 0.610 18166 3536 1 6 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.282 -0.530 18166 3537 1 6 . 1 1 82 82 THR N N 82 107.443 107.443 110.911 -3.468 18166 3538 1 6 . 1 1 82 82 THR HA H 82 4.607 4.607 4.452 0.155 18166 3539 1 6 . 1 1 82 82 THR CA C 82 61.139 61.139 60.750 0.389 18166 3540 1 6 . 1 1 82 82 THR CB C 82 68.785 68.785 68.588 0.197 18166 3541 1 6 . 1 1 82 82 THR H H 82 8.129 8.129 8.263 -0.134 18166 3542 1 6 . 1 1 83 83 PHE N N 83 123.490 123.490 121.075 2.415 18166 3543 1 6 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.876 0.254 18166 3544 1 6 . 1 1 83 83 PHE CA C 83 55.712 55.712 55.700 0.012 18166 3545 1 6 . 1 1 83 83 PHE CB C 83 38.263 38.263 37.752 0.511 18166 3546 1 6 . 1 1 83 83 PHE H H 83 8.022 8.022 7.816 0.206 18166 3547 1 6 . 1 1 84 84 ILE N N 84 131.837 131.837 124.461 7.376 18166 3548 1 6 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.815 0.135 18166 3549 1 6 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.612 -0.382 18166 3550 1 6 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.874 0.095 18166 3551 1 6 . 1 1 84 84 ILE H H 84 8.955 8.955 7.894 1.061 18166 3552 1 6 . 1 1 85 85 LYS N N 85 115.465 115.465 119.781 -4.316 18166 3553 1 6 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.423 0.035 18166 3554 1 6 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.695 -2.359 18166 3555 1 6 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.378 0.103 18166 3556 1 6 . 1 1 85 85 LYS H H 85 6.000 6.000 8.310 -2.310 18166 3557 1 6 . 1 1 86 86 GLY N N 86 103.958 103.958 107.253 -3.295 18166 3558 1 6 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.965 1.196 18166 3559 1 6 . 1 1 86 86 GLY H H 86 6.966 6.966 7.962 -0.996 18166 3560 1 6 . 1 1 87 87 TYR N N 87 115.851 115.851 121.103 -5.252 18166 3561 1 6 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.164 -0.224 18166 3562 1 6 . 1 1 87 87 TYR CA C 87 60.197 60.197 61.677 -1.480 18166 3563 1 6 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.867 0.366 18166 3564 1 6 . 1 1 87 87 TYR H H 87 6.814 6.814 7.177 -0.363 18166 3565 1 6 . 1 1 88 88 THR N N 88 109.840 109.840 115.826 -5.986 18166 3566 1 6 . 1 1 88 88 THR HA H 88 4.328 4.328 4.015 0.313 18166 3567 1 6 . 1 1 88 88 THR CA C 88 66.353 66.353 66.807 -0.454 18166 3568 1 6 . 1 1 88 88 THR CB C 88 66.371 66.371 68.476 -2.105 18166 3569 1 6 . 1 1 88 88 THR H H 88 8.318 8.318 7.644 0.674 18166 3570 1 6 . 1 1 89 89 ARG N N 89 121.855 121.855 120.885 0.970 18166 3571 1 6 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.264 -0.187 18166 3572 1 6 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.902 1.127 18166 3573 1 6 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.562 -0.289 18166 3574 1 6 . 1 1 89 89 ARG H H 89 8.320 8.320 7.996 0.324 18166 3575 1 6 . 1 1 90 90 LYS N N 90 124.436 124.436 121.034 3.402 18166 3576 1 6 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.156 -0.227 18166 3577 1 6 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.832 1.030 18166 3578 1 6 . 1 1 90 90 LYS H H 90 7.379 7.379 7.976 -0.597 18166 3579 1 6 . 1 1 91 91 ALA N N 91 121.179 121.179 120.929 0.250 18166 3580 1 6 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.149 -0.657 18166 3581 1 6 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.163 -0.110 18166 3582 1 6 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.385 -2.940 18166 3583 1 6 . 1 1 91 91 ALA H H 91 8.460 8.460 8.257 0.203 18166 3584 1 6 . 1 1 92 92 ALA N N 92 118.165 118.165 120.673 -2.508 18166 3585 1 6 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.115 0.009 18166 3586 1 6 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.674 0.193 18166 3587 1 6 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.679 -0.659 18166 3588 1 6 . 1 1 92 92 ALA H H 92 7.871 7.871 7.902 -0.031 18166 3589 1 6 . 1 1 93 93 ALA N N 93 123.065 123.065 122.065 1.000 18166 3590 1 6 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.467 -0.477 18166 3591 1 6 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.838 0.499 18166 3592 1 6 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.640 -2.019 18166 3593 1 6 . 1 1 93 93 ALA H H 93 7.649 7.649 7.758 -0.109 18166 3594 1 6 . 1 1 94 94 LEU N N 94 117.762 117.762 119.017 -1.255 18166 3595 1 6 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.888 0.228 18166 3596 1 6 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.568 0.082 18166 3597 1 6 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.546 0.256 18166 3598 1 6 . 1 1 94 94 LEU H H 94 7.847 7.847 8.405 -0.558 18166 3599 1 6 . 1 1 95 95 GLU N N 95 121.139 121.139 119.070 2.069 18166 3600 1 6 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.018 -0.663 18166 3601 1 6 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.618 -0.490 18166 3602 1 6 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.752 -0.359 18166 3603 1 6 . 1 1 95 95 GLU H H 95 8.971 8.971 8.412 0.559 18166 3604 1 6 . 1 1 96 96 ALA N N 96 124.630 124.630 119.241 5.389 18166 3605 1 6 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.156 -0.205 18166 3606 1 6 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.870 0.702 18166 3607 1 6 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.543 -1.184 18166 3608 1 6 . 1 1 96 96 ALA H H 96 7.890 7.890 7.623 0.267 18166 3609 1 6 . 1 1 97 97 MET N N 97 115.484 115.484 116.596 -1.112 18166 3610 1 6 . 1 1 97 97 MET HA H 97 3.714 3.714 4.433 -0.719 18166 3611 1 6 . 1 1 97 97 MET CA C 97 56.071 56.071 54.121 1.950 18166 3612 1 6 . 1 1 97 97 MET CB C 97 33.654 33.654 32.060 1.594 18166 3613 1 6 . 1 1 97 97 MET H H 97 7.155 7.155 7.228 -0.073 18166 3614 1 6 . 1 1 98 98 LYS N N 98 112.882 112.882 114.306 -1.424 18166 3615 1 6 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.121 -0.391 18166 3616 1 6 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.315 -0.563 18166 3617 1 6 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.208 -1.088 18166 3618 1 6 . 1 1 98 98 LYS H H 98 7.597 7.597 7.375 0.222 18166 3619 1 6 . 1 1 99 99 ASP N N 99 120.642 120.642 120.451 0.191 18166 3620 1 6 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.714 0.123 18166 3621 1 6 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.478 -2.716 18166 3622 1 6 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.154 -1.475 18166 3623 1 6 . 1 1 99 99 ASP H H 99 7.888 7.888 7.975 -0.087 18166 3624 1 6 . 1 1 100 100 TYR N N 100 117.948 117.948 119.412 -1.464 18166 3625 1 6 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.117 -0.172 18166 3626 1 6 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.825 1.109 18166 3627 1 6 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.342 0.297 18166 3628 1 6 . 1 1 100 100 TYR H H 100 6.984 6.984 7.108 -0.124 18166 3629 1 6 . 1 1 101 101 THR N N 101 113.752 113.752 109.808 3.944 18166 3630 1 6 . 1 1 101 101 THR HA H 101 4.008 4.008 4.061 -0.053 18166 3631 1 6 . 1 1 101 101 THR CA C 101 65.857 65.857 65.210 0.647 18166 3632 1 6 . 1 1 101 101 THR CB C 101 67.689 67.689 68.376 -0.687 18166 3633 1 6 . 1 1 101 101 THR H H 101 8.543 8.543 8.446 0.097 18166 3634 1 6 . 1 1 102 102 LYS N N 102 120.641 120.641 119.922 0.719 18166 3635 1 6 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.400 -0.258 18166 3636 1 6 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.342 1.744 18166 3637 1 6 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.353 -0.174 18166 3638 1 6 . 1 1 102 102 LYS H H 102 7.348 7.348 7.656 -0.308 18166 3639 1 6 . 1 1 103 103 ALA N N 103 120.302 120.302 123.512 -3.210 18166 3640 1 6 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.077 -0.412 18166 3641 1 6 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.434 0.222 18166 3642 1 6 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.600 0.289 18166 3643 1 6 . 1 1 103 103 ALA H H 103 8.344 8.344 8.349 -0.005 18166 3644 1 6 . 1 1 104 104 MET N N 104 116.430 116.430 113.825 2.605 18166 3645 1 6 . 1 1 104 104 MET HA H 104 3.939 3.939 4.331 -0.392 18166 3646 1 6 . 1 1 104 104 MET CA C 104 61.020 61.020 59.093 1.927 18166 3647 1 6 . 1 1 104 104 MET CB C 104 33.904 33.904 32.511 1.393 18166 3648 1 6 . 1 1 104 104 MET H H 104 8.375 8.375 8.370 0.005 18166 3649 1 6 . 1 1 105 105 ASP N N 105 117.449 117.449 120.462 -3.013 18166 3650 1 6 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.593 -0.083 18166 3651 1 6 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.996 -0.883 18166 3652 1 6 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.651 -0.442 18166 3653 1 6 . 1 1 105 105 ASP H H 105 7.319 7.319 7.893 -0.574 18166 3654 1 6 . 1 1 106 106 VAL N N 106 121.168 121.168 120.520 0.648 18166 3655 1 6 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.814 -0.064 18166 3656 1 6 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.450 0.530 18166 3657 1 6 . 1 1 106 106 VAL CB C 106 30.761 30.761 32.090 -1.329 18166 3658 1 6 . 1 1 106 106 VAL H H 106 7.825 7.825 7.539 0.286 18166 3659 1 6 . 1 1 107 107 TYR N N 107 120.714 120.714 120.659 0.055 18166 3660 1 6 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.012 0.259 18166 3661 1 6 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.349 1.103 18166 3662 1 6 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.852 0.302 18166 3663 1 6 . 1 1 107 107 TYR H H 107 9.215 9.215 8.481 0.734 18166 3664 1 6 . 1 1 108 108 GLN N N 108 117.293 117.293 118.510 -1.217 18166 3665 1 6 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.304 0.529 18166 3666 1 6 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.534 0.168 18166 3667 1 6 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.123 0.122 18166 3668 1 6 . 1 1 108 108 GLN H H 108 8.605 8.605 7.551 1.054 18166 3669 1 6 . 1 1 109 109 LYS N N 109 120.342 120.342 118.159 2.183 18166 3670 1 6 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.911 0.091 18166 3671 1 6 . 1 1 109 109 LYS CA C 109 58.537 58.537 57.927 0.610 18166 3672 1 6 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.771 -0.749 18166 3673 1 6 . 1 1 109 109 LYS H H 109 7.571 7.571 7.480 0.091 18166 3674 1 6 . 1 1 110 110 ALA N N 110 119.851 119.851 122.762 -2.911 18166 3675 1 6 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.777 0.002 18166 3676 1 6 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.947 0.104 18166 3677 1 6 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.323 -0.635 18166 3678 1 6 . 1 1 110 110 ALA H H 110 7.693 7.693 7.755 -0.062 18166 3679 1 6 . 1 1 111 111 LEU N N 111 117.859 117.859 118.007 -0.148 18166 3680 1 6 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.192 -0.115 18166 3681 1 6 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.947 -0.736 18166 3682 1 6 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.634 0.175 18166 3683 1 6 . 1 1 111 111 LEU H H 111 7.811 7.811 7.856 -0.045 18166 3684 1 6 . 1 1 112 112 ASP N N 112 118.421 118.421 118.712 -0.291 18166 3685 1 6 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.375 -0.124 18166 3686 1 6 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.329 -0.567 18166 3687 1 6 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.014 -1.819 18166 3688 1 6 . 1 1 112 112 ASP H H 112 8.099 8.099 7.577 0.522 18166 3689 1 6 . 1 1 113 113 LEU N N 113 120.299 120.299 118.561 1.738 18166 3690 1 6 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.169 -0.012 18166 3691 1 6 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.061 0.473 18166 3692 1 6 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.940 -0.461 18166 3693 1 6 . 1 1 113 113 LEU H H 113 7.319 7.319 7.337 -0.018 18166 3694 1 6 . 1 1 114 114 ASP N N 114 118.196 118.196 114.847 3.349 18166 3695 1 6 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.741 -0.103 18166 3696 1 6 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.628 -0.440 18166 3697 1 6 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.989 -1.722 18166 3698 1 6 . 1 1 114 114 ASP H H 114 8.190 8.190 7.632 0.558 18166 3699 1 6 . 1 1 115 115 SER N N 115 121.421 121.421 121.468 -0.047 18166 3700 1 6 . 1 1 115 115 SER HA H 115 4.272 4.272 4.184 0.088 18166 3701 1 6 . 1 1 115 115 SER CA C 115 60.133 60.133 61.417 -1.284 18166 3702 1 6 . 1 1 115 115 SER CB C 115 62.791 62.791 63.105 -0.314 18166 3703 1 6 . 1 1 115 115 SER H H 115 8.775 8.775 8.625 0.150 18166 3704 1 6 . 1 1 116 116 SER N N 116 116.860 116.860 116.251 0.609 18166 3705 1 6 . 1 1 116 116 SER HA H 116 4.481 4.481 4.334 0.147 18166 3706 1 6 . 1 1 116 116 SER CA C 116 57.961 57.961 59.339 -1.378 18166 3707 1 6 . 1 1 116 116 SER CB C 116 63.960 63.960 62.296 1.664 18166 3708 1 6 . 1 1 116 116 SER H H 116 8.404 8.404 8.336 0.068 18166 3709 1 6 . 1 1 117 117 CYS N N 117 121.814 121.814 121.590 0.224 18166 3710 1 6 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.482 -0.171 18166 3711 1 6 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.099 0.873 18166 3712 1 6 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.769 -0.903 18166 3713 1 6 . 1 1 117 117 CYS H H 117 7.401 7.401 7.753 -0.352 18166 3714 1 6 . 1 1 118 118 LYS N N 118 105.939 105.939 120.550 -14.611 18166 3715 1 6 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.908 0.064 18166 3716 1 6 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.172 -0.305 18166 3717 1 6 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.512 0.845 18166 3718 1 6 . 1 1 118 118 LYS H H 118 8.647 8.647 7.978 0.669 18166 3719 1 6 . 1 1 119 119 GLU N N 119 117.724 117.724 118.455 -0.731 18166 3720 1 6 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.055 0.076 18166 3721 1 6 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.035 -0.035 18166 3722 1 6 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.848 0.624 18166 3723 1 6 . 1 1 119 119 GLU H H 119 8.998 8.998 8.343 0.655 18166 3724 1 6 . 1 1 120 120 ALA N N 120 120.855 120.855 121.330 -0.475 18166 3725 1 6 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.181 0.187 18166 3726 1 6 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.441 -1.135 18166 3727 1 6 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.685 -0.572 18166 3728 1 6 . 1 1 120 120 ALA H H 120 7.494 7.494 8.317 -0.823 18166 3729 1 6 . 1 1 121 121 ALA N N 121 123.265 123.265 121.402 1.863 18166 3730 1 6 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.296 -0.301 18166 3731 1 6 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.893 -0.101 18166 3732 1 6 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.777 -0.973 18166 3733 1 6 . 1 1 121 121 ALA H H 121 7.914 7.914 7.330 0.584 18166 3734 1 6 . 1 1 122 122 ASP N N 122 118.732 118.732 118.307 0.425 18166 3735 1 6 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.468 -0.197 18166 3736 1 6 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.105 -0.863 18166 3737 1 6 . 1 1 122 122 ASP CB C 122 39.115 39.115 41.001 -1.885 18166 3738 1 6 . 1 1 122 122 ASP H H 122 8.964 8.964 8.399 0.565 18166 3739 1 6 . 1 1 123 123 GLY N N 123 108.568 108.568 107.163 1.405 18166 3740 1 6 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.587 0.027 18166 3741 1 6 . 1 1 123 123 GLY H H 123 7.572 7.572 7.845 -0.273 18166 3742 1 6 . 1 1 124 124 TYR N N 124 122.944 122.944 123.577 -0.633 18166 3743 1 6 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.906 -0.292 18166 3744 1 6 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.618 2.566 18166 3745 1 6 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.780 0.117 18166 3746 1 6 . 1 1 124 124 TYR H H 124 8.162 8.162 7.767 0.395 18166 3747 1 6 . 1 1 125 125 GLN N N 125 115.988 115.988 117.215 -1.227 18166 3748 1 6 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.545 0.330 18166 3749 1 6 . 1 1 125 125 GLN CA C 125 58.620 58.620 59.068 -0.448 18166 3750 1 6 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.716 0.421 18166 3751 1 6 . 1 1 125 125 GLN H H 125 7.510 7.510 7.848 -0.338 18166 3752 1 6 . 1 1 126 126 ARG N N 126 118.626 118.626 119.184 -0.558 18166 3753 1 6 . 1 1 126 126 ARG HA H 126 3.933 3.933 3.986 -0.053 18166 3754 1 6 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.867 0.950 18166 3755 1 6 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.955 1.137 18166 3756 1 6 . 1 1 126 126 ARG H H 126 8.139 8.139 7.605 0.534 18166 3757 1 6 . 1 1 127 127 CYS N N 127 116.985 116.985 117.082 -0.097 18166 3758 1 6 . 1 1 127 127 CYS HA H 127 3.889 3.889 3.994 -0.105 18166 3759 1 6 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.317 1.646 18166 3760 1 6 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.062 0.704 18166 3761 1 6 . 1 1 127 127 CYS H H 127 8.097 8.097 7.741 0.356 18166 3762 1 6 . 1 1 128 128 MET N N 128 120.493 120.493 117.761 2.732 18166 3763 1 6 . 1 1 128 128 MET HA H 128 3.989 3.989 3.901 0.088 18166 3764 1 6 . 1 1 128 128 MET CA C 128 58.420 58.420 58.423 -0.003 18166 3765 1 6 . 1 1 128 128 MET CB C 128 31.539 31.539 31.771 -0.232 18166 3766 1 6 . 1 1 128 128 MET H H 128 8.163 8.163 7.864 0.299 18166 3767 1 6 . 1 1 129 129 MET N N 129 115.583 115.583 117.108 -1.525 18166 3768 1 6 . 1 1 129 129 MET HA H 129 4.211 4.211 4.342 -0.131 18166 3769 1 6 . 1 1 129 129 MET CA C 129 56.677 56.677 57.386 -0.709 18166 3770 1 6 . 1 1 129 129 MET CB C 129 31.951 31.951 32.180 -0.229 18166 3771 1 6 . 1 1 129 129 MET H H 129 7.723 7.723 7.460 0.263 18166 3772 1 6 . 1 1 130 130 ALA N N 130 121.061 121.061 121.781 -0.720 18166 3773 1 6 . 1 1 130 130 ALA HA H 130 3.908 3.908 4.160 -0.252 18166 3774 1 6 . 1 1 130 130 ALA CA C 130 53.080 53.080 53.567 -0.487 18166 3775 1 6 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.202 -1.698 18166 3776 1 6 . 1 1 130 130 ALA H H 130 7.458 7.458 7.476 -0.018 18166 3777 1 6 . 1 1 131 131 GLN N N 131 114.560 114.560 116.052 -1.492 18166 3778 1 6 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.269 -0.263 18166 3779 1 6 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.323 -0.520 18166 3780 1 6 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.640 -0.534 18166 3781 1 6 . 1 1 131 131 GLN H H 131 7.214 7.214 7.160 0.054 18166 3782 1 6 . 1 1 132 132 TYR N N 132 117.856 117.856 119.723 -1.867 18166 3783 1 6 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.642 0.000 18166 3784 1 6 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.662 1.896 18166 3785 1 6 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.837 1.475 18166 3786 1 6 . 1 1 132 132 TYR H H 132 7.545 7.545 7.391 0.154 18166 3787 1 7 . 1 1 2 2 GLY N N 2 109.986 109.986 113.313 -3.327 18166 3788 1 7 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.605 0.205 18166 3789 1 7 . 1 1 2 2 GLY H H 2 8.520 8.520 8.402 0.118 18166 3790 1 7 . 1 1 3 3 HIS N N 3 117.442 117.442 123.021 -5.579 18166 3791 1 7 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.353 0.267 18166 3792 1 7 . 1 1 3 3 HIS CB C 3 28.428 28.428 29.499 -1.071 18166 3793 1 7 . 1 1 3 3 HIS H H 3 8.406 8.406 8.369 0.037 18166 3794 1 7 . 1 1 4 4 HIS N N 4 118.932 118.932 124.292 -5.360 18166 3795 1 7 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.586 0.042 18166 3796 1 7 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.674 -1.767 18166 3797 1 7 . 1 1 4 4 HIS CB C 4 28.198 28.198 29.579 -1.381 18166 3798 1 7 . 1 1 4 4 HIS H H 4 8.552 8.552 8.220 0.332 18166 3799 1 7 . 1 1 5 5 HIS N N 5 119.580 119.580 122.613 -3.033 18166 3800 1 7 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.916 -0.268 18166 3801 1 7 . 1 1 5 5 HIS CA C 5 55.133 55.133 54.468 0.665 18166 3802 1 7 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.171 -1.410 18166 3803 1 7 . 1 1 5 5 HIS H H 5 8.615 8.615 8.448 0.167 18166 3804 1 7 . 1 1 6 6 HIS N N 6 121.369 121.369 119.854 1.515 18166 3805 1 7 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.276 0.372 18166 3806 1 7 . 1 1 6 6 HIS CA C 6 54.949 54.949 58.295 -3.346 18166 3807 1 7 . 1 1 6 6 HIS CB C 6 29.100 29.100 28.932 0.168 18166 3808 1 7 . 1 1 6 6 HIS H H 6 8.732 8.732 8.459 0.273 18166 3809 1 7 . 1 1 7 7 HIS N N 7 120.276 120.276 118.756 1.520 18166 3810 1 7 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.411 0.231 18166 3811 1 7 . 1 1 7 7 HIS CA C 7 55.147 55.147 57.197 -2.050 18166 3812 1 7 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.170 -1.345 18166 3813 1 7 . 1 1 7 7 HIS H H 7 8.708 8.708 7.935 0.773 18166 3814 1 7 . 1 1 8 8 HIS N N 8 120.007 120.007 119.705 0.302 18166 3815 1 7 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.559 0.137 18166 3816 1 7 . 1 1 8 8 HIS CA C 8 54.861 54.861 54.478 0.383 18166 3817 1 7 . 1 1 8 8 HIS CB C 8 28.696 28.696 29.727 -1.031 18166 3818 1 7 . 1 1 8 8 HIS H H 8 8.708 8.708 7.572 1.136 18166 3819 1 7 . 1 1 9 9 SER N N 9 117.977 117.977 123.085 -5.108 18166 3820 1 7 . 1 1 9 9 SER HA H 9 4.404 4.404 4.267 0.137 18166 3821 1 7 . 1 1 9 9 SER CA C 9 57.718 57.718 59.306 -1.589 18166 3822 1 7 . 1 1 9 9 SER CB C 9 63.246 63.246 63.142 0.104 18166 3823 1 7 . 1 1 9 9 SER H H 9 8.535 8.535 8.656 -0.121 18166 3824 1 7 . 1 1 10 10 HIS N N 10 120.441 120.441 126.533 -6.092 18166 3825 1 7 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.615 0.080 18166 3826 1 7 . 1 1 10 10 HIS H H 10 8.744 8.744 8.436 0.308 18166 3827 1 7 . 1 1 11 11 MET N N 11 122.004 122.004 119.328 2.676 18166 3828 1 7 . 1 1 11 11 MET HA H 11 4.427 4.427 4.290 0.137 18166 3829 1 7 . 1 1 11 11 MET CA C 11 54.665 54.665 56.850 -2.185 18166 3830 1 7 . 1 1 11 11 MET CB C 11 32.913 32.913 32.541 0.372 18166 3831 1 7 . 1 1 11 11 MET H H 11 8.443 8.443 8.299 0.144 18166 3832 1 7 . 1 1 12 12 ASN N N 12 121.852 121.852 118.874 2.978 18166 3833 1 7 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.088 -0.151 18166 3834 1 7 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.560 -0.180 18166 3835 1 7 . 1 1 12 12 ASN CB C 12 38.313 38.313 39.438 -1.125 18166 3836 1 7 . 1 1 12 12 ASN H H 12 8.631 8.631 7.682 0.949 18166 3837 1 7 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.617 -0.257 18166 3838 1 7 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.302 -1.153 18166 3839 1 7 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.558 -0.806 18166 3840 1 7 . 1 1 14 14 ASP N N 14 119.643 119.643 114.246 5.397 18166 3841 1 7 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.682 -0.139 18166 3842 1 7 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.989 0.039 18166 3843 1 7 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.644 -1.881 18166 3844 1 7 . 1 1 14 14 ASP H H 14 8.344 8.344 8.019 0.325 18166 3845 1 7 . 1 1 15 15 LEU N N 15 123.333 123.333 126.263 -2.930 18166 3846 1 7 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.102 0.047 18166 3847 1 7 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.851 -1.408 18166 3848 1 7 . 1 1 15 15 LEU CB C 15 41.376 41.376 42.010 -0.634 18166 3849 1 7 . 1 1 15 15 LEU H H 15 8.119 8.119 8.723 -0.604 18166 3850 1 7 . 1 1 16 16 ALA N N 16 121.879 121.879 120.533 1.346 18166 3851 1 7 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.092 0.022 18166 3852 1 7 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.384 -1.014 18166 3853 1 7 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.733 -0.685 18166 3854 1 7 . 1 1 16 16 ALA H H 16 8.212 8.212 7.916 0.296 18166 3855 1 7 . 1 1 17 17 LEU N N 17 118.990 118.990 115.528 3.462 18166 3856 1 7 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.389 -0.250 18166 3857 1 7 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.089 -0.980 18166 3858 1 7 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.971 -0.595 18166 3859 1 7 . 1 1 17 17 LEU H H 17 7.719 7.719 7.540 0.179 18166 3860 1 7 . 1 1 18 18 MET N N 18 118.534 118.534 118.691 -0.157 18166 3861 1 7 . 1 1 18 18 MET HA H 18 4.274 4.274 4.308 -0.034 18166 3862 1 7 . 1 1 18 18 MET CA C 18 56.497 56.497 57.165 -0.668 18166 3863 1 7 . 1 1 18 18 MET CB C 18 31.787 31.787 31.157 0.630 18166 3864 1 7 . 1 1 18 18 MET H H 18 7.996 7.996 7.736 0.260 18166 3865 1 7 . 1 1 19 19 VAL N N 19 119.243 119.243 119.180 0.063 18166 3866 1 7 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.755 0.078 18166 3867 1 7 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.318 -1.584 18166 3868 1 7 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.492 0.164 18166 3869 1 7 . 1 1 19 19 VAL H H 19 7.915 7.915 7.699 0.216 18166 3870 1 7 . 1 1 20 20 LYS N N 20 123.321 123.321 118.263 5.058 18166 3871 1 7 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.179 -0.202 18166 3872 1 7 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.495 -1.152 18166 3873 1 7 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.790 0.206 18166 3874 1 7 . 1 1 20 20 LYS H H 20 8.139 8.139 7.728 0.411 18166 3875 1 7 . 1 1 21 21 ASN N N 21 118.732 118.732 119.388 -0.656 18166 3876 1 7 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.531 0.047 18166 3877 1 7 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.096 -1.856 18166 3878 1 7 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.328 -0.589 18166 3879 1 7 . 1 1 21 21 ASN H H 21 8.349 8.349 7.803 0.546 18166 3880 1 7 . 1 1 22 22 LYS N N 22 121.941 121.941 119.541 2.400 18166 3881 1 7 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.345 -0.321 18166 3882 1 7 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.740 -0.430 18166 3883 1 7 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.646 -0.127 18166 3884 1 7 . 1 1 22 22 LYS H H 22 8.185 8.185 7.334 0.851 18166 3885 1 7 . 1 1 23 23 GLY N N 23 107.792 107.792 109.047 -1.255 18166 3886 1 7 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.958 0.808 18166 3887 1 7 . 1 1 23 23 GLY H H 23 8.336 8.336 7.922 0.414 18166 3888 1 7 . 1 1 24 24 ASN N N 24 120.049 120.049 121.078 -1.029 18166 3889 1 7 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.660 -0.076 18166 3890 1 7 . 1 1 24 24 ASN CA C 24 55.201 55.201 56.306 -1.105 18166 3891 1 7 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.776 -1.206 18166 3892 1 7 . 1 1 24 24 ASN H H 24 8.337 8.337 8.239 0.098 18166 3893 1 7 . 1 1 25 25 GLU N N 25 121.510 121.510 121.541 -0.031 18166 3894 1 7 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.107 -0.060 18166 3895 1 7 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.553 -0.577 18166 3896 1 7 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.601 -0.498 18166 3897 1 7 . 1 1 25 25 GLU H H 25 8.366 8.366 8.027 0.339 18166 3898 1 7 . 1 1 26 26 CYS N N 26 116.512 116.512 118.443 -1.931 18166 3899 1 7 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.103 -0.001 18166 3900 1 7 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.252 -0.248 18166 3901 1 7 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.616 -0.360 18166 3902 1 7 . 1 1 26 26 CYS H H 26 8.092 8.092 7.972 0.120 18166 3903 1 7 . 1 1 27 27 PHE N N 27 122.066 122.066 120.730 1.336 18166 3904 1 7 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.313 -0.561 18166 3905 1 7 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.249 0.231 18166 3906 1 7 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.960 0.942 18166 3907 1 7 . 1 1 27 27 PHE H H 27 8.756 8.756 7.953 0.803 18166 3908 1 7 . 1 1 28 28 GLN N N 28 119.430 119.430 119.351 0.079 18166 3909 1 7 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.065 -0.049 18166 3910 1 7 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.927 0.198 18166 3911 1 7 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.393 -0.183 18166 3912 1 7 . 1 1 28 28 GLN H H 28 8.574 8.574 7.941 0.633 18166 3913 1 7 . 1 1 29 29 LYS N N 29 116.011 116.011 117.752 -1.741 18166 3914 1 7 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.268 -0.024 18166 3915 1 7 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.524 0.574 18166 3916 1 7 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.131 0.405 18166 3917 1 7 . 1 1 29 29 LYS H H 29 7.410 7.410 7.479 -0.069 18166 3918 1 7 . 1 1 30 30 GLY N N 30 107.636 107.636 107.996 -0.360 18166 3919 1 7 . 1 1 30 30 GLY CA C 30 44.583 44.583 45.010 -0.427 18166 3920 1 7 . 1 1 30 30 GLY H H 30 7.566 7.566 7.766 -0.200 18166 3921 1 7 . 1 1 31 31 ASP N N 31 120.587 120.587 121.768 -1.181 18166 3922 1 7 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.971 -0.303 18166 3923 1 7 . 1 1 31 31 ASP CA C 31 51.041 51.041 52.358 -1.317 18166 3924 1 7 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.944 -2.226 18166 3925 1 7 . 1 1 31 31 ASP H H 31 7.826 7.826 7.621 0.205 18166 3926 1 7 . 1 1 32 32 TYR N N 32 120.190 120.190 125.864 -5.674 18166 3927 1 7 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.630 -0.858 18166 3928 1 7 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.431 0.823 18166 3929 1 7 . 1 1 32 32 TYR H H 32 7.313 7.313 8.640 -1.327 18166 3930 1 7 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.211 0.009 18166 3931 1 7 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.675 0.680 18166 3932 1 7 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.404 -0.117 18166 3933 1 7 . 1 1 34 34 GLN N N 34 115.797 115.797 118.364 -2.567 18166 3934 1 7 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.935 -0.010 18166 3935 1 7 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.460 -0.296 18166 3936 1 7 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.958 0.420 18166 3937 1 7 . 1 1 34 34 GLN H H 34 7.278 7.278 8.269 -0.991 18166 3938 1 7 . 1 1 35 35 ALA N N 35 121.852 121.852 122.074 -0.222 18166 3939 1 7 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.024 0.048 18166 3940 1 7 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.767 0.830 18166 3941 1 7 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.246 0.299 18166 3942 1 7 . 1 1 35 35 ALA H H 35 8.376 8.376 7.586 0.790 18166 3943 1 7 . 1 1 36 36 MET N N 36 116.867 116.867 116.930 -0.063 18166 3944 1 7 . 1 1 36 36 MET HA H 36 3.887 3.887 3.986 -0.099 18166 3945 1 7 . 1 1 36 36 MET CA C 36 59.400 59.400 58.837 0.563 18166 3946 1 7 . 1 1 36 36 MET CB C 36 30.626 30.626 32.357 -1.731 18166 3947 1 7 . 1 1 36 36 MET H H 36 8.538 8.538 7.651 0.887 18166 3948 1 7 . 1 1 37 37 LYS N N 37 122.037 122.037 119.651 2.386 18166 3949 1 7 . 1 1 37 37 LYS HA H 37 3.912 3.912 3.924 -0.012 18166 3950 1 7 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.725 -0.500 18166 3951 1 7 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.069 0.127 18166 3952 1 7 . 1 1 37 37 LYS H H 37 7.599 7.599 7.808 -0.209 18166 3953 1 7 . 1 1 38 38 HIS N N 38 117.718 117.718 117.890 -0.172 18166 3954 1 7 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.516 0.119 18166 3955 1 7 . 1 1 38 38 HIS CA C 38 58.000 58.000 59.227 -1.227 18166 3956 1 7 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.707 -1.707 18166 3957 1 7 . 1 1 38 38 HIS H H 38 7.908 7.908 7.722 0.186 18166 3958 1 7 . 1 1 39 39 TYR N N 39 118.987 118.987 119.296 -0.309 18166 3959 1 7 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.326 0.139 18166 3960 1 7 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.133 1.120 18166 3961 1 7 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.314 -0.523 18166 3962 1 7 . 1 1 39 39 TYR H H 39 9.156 9.156 7.809 1.347 18166 3963 1 7 . 1 1 40 40 THR N N 40 117.147 117.147 116.022 1.125 18166 3964 1 7 . 1 1 40 40 THR HA H 40 3.872 3.872 4.000 -0.128 18166 3965 1 7 . 1 1 40 40 THR CA C 40 67.449 67.449 66.560 0.889 18166 3966 1 7 . 1 1 40 40 THR CB C 40 68.728 68.728 68.624 0.104 18166 3967 1 7 . 1 1 40 40 THR H H 40 8.476 8.476 8.228 0.248 18166 3968 1 7 . 1 1 41 41 GLU N N 41 122.067 122.067 120.153 1.914 18166 3969 1 7 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.192 -0.213 18166 3970 1 7 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.750 -0.005 18166 3971 1 7 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.968 -0.245 18166 3972 1 7 . 1 1 41 41 GLU H H 41 7.762 7.762 7.941 -0.179 18166 3973 1 7 . 1 1 42 42 ALA N N 42 122.040 122.040 122.645 -0.605 18166 3974 1 7 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.150 -0.181 18166 3975 1 7 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.678 0.491 18166 3976 1 7 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.480 -0.110 18166 3977 1 7 . 1 1 42 42 ALA H H 42 8.191 8.191 7.690 0.501 18166 3978 1 7 . 1 1 43 43 ILE N N 43 122.662 122.662 117.966 4.696 18166 3979 1 7 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.816 -0.500 18166 3980 1 7 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.142 1.456 18166 3981 1 7 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.869 0.618 18166 3982 1 7 . 1 1 43 43 ILE H H 43 8.427 8.427 7.707 0.720 18166 3983 1 7 . 1 1 44 44 LYS N N 44 117.349 117.349 117.533 -0.184 18166 3984 1 7 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.134 -0.193 18166 3985 1 7 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.810 0.891 18166 3986 1 7 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.108 -0.117 18166 3987 1 7 . 1 1 44 44 LYS H H 44 7.473 7.473 7.319 0.153 18166 3988 1 7 . 1 1 45 45 ARG N N 45 114.723 114.723 117.829 -3.106 18166 3989 1 7 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.291 -0.118 18166 3990 1 7 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.520 -0.114 18166 3991 1 7 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.047 -0.710 18166 3992 1 7 . 1 1 45 45 ARG H H 45 7.150 7.150 7.639 -0.489 18166 3993 1 7 . 1 1 46 46 ASN N N 46 115.919 115.919 116.413 -0.494 18166 3994 1 7 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.176 -0.103 18166 3995 1 7 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.215 -0.058 18166 3996 1 7 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.553 -0.922 18166 3997 1 7 . 1 1 46 46 ASN H H 46 7.885 7.885 8.274 -0.389 18166 3998 1 7 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.789 -0.057 18166 3999 1 7 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.253 -0.048 18166 4000 1 7 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.129 -0.175 18166 4001 1 7 . 1 1 48 48 LYS N N 48 118.494 118.494 117.984 0.510 18166 4002 1 7 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.343 0.292 18166 4003 1 7 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.920 -1.920 18166 4004 1 7 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.315 -0.888 18166 4005 1 7 . 1 1 48 48 LYS H H 48 8.154 8.154 8.159 -0.005 18166 4006 1 7 . 1 1 49 49 ASP N N 49 119.387 119.387 122.095 -2.708 18166 4007 1 7 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.531 0.159 18166 4008 1 7 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.604 -1.726 18166 4009 1 7 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.401 -0.376 18166 4010 1 7 . 1 1 49 49 ASP H H 49 7.317 7.317 7.677 -0.360 18166 4011 1 7 . 1 1 50 50 ALA N N 50 128.206 128.206 128.158 0.048 18166 4012 1 7 . 1 1 50 50 ALA HA H 50 4.041 4.041 3.839 0.202 18166 4013 1 7 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.102 0.462 18166 4014 1 7 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.400 1.690 18166 4015 1 7 . 1 1 50 50 ALA H H 50 8.466 8.466 7.837 0.629 18166 4016 1 7 . 1 1 51 51 LYS N N 51 113.628 113.628 116.615 -2.987 18166 4017 1 7 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.325 -0.448 18166 4018 1 7 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.418 0.896 18166 4019 1 7 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.235 0.085 18166 4020 1 7 . 1 1 51 51 LYS H H 51 7.985 7.985 7.776 0.209 18166 4021 1 7 . 1 1 52 52 LEU N N 52 117.207 117.207 120.630 -3.423 18166 4022 1 7 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.797 -0.125 18166 4023 1 7 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.749 -0.471 18166 4024 1 7 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.723 1.369 18166 4025 1 7 . 1 1 52 52 LEU H H 52 7.323 7.323 7.680 -0.357 18166 4026 1 7 . 1 1 53 53 TYR N N 53 116.167 116.167 118.180 -2.013 18166 4027 1 7 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.204 -0.326 18166 4028 1 7 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.906 -0.333 18166 4029 1 7 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.818 0.329 18166 4030 1 7 . 1 1 53 53 TYR H H 53 6.955 6.955 7.621 -0.666 18166 4031 1 7 . 1 1 54 54 SER N N 54 112.799 112.799 114.246 -1.447 18166 4032 1 7 . 1 1 54 54 SER HA H 54 3.976 3.976 4.121 -0.145 18166 4033 1 7 . 1 1 54 54 SER CA C 54 61.200 61.200 62.126 -0.925 18166 4034 1 7 . 1 1 54 54 SER CB C 54 62.184 62.184 63.009 -0.825 18166 4035 1 7 . 1 1 54 54 SER H H 54 7.661 7.661 8.649 -0.988 18166 4036 1 7 . 1 1 55 55 ASN N N 55 119.126 119.126 120.272 -1.146 18166 4037 1 7 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.350 -0.251 18166 4038 1 7 . 1 1 55 55 ASN CA C 55 55.241 55.241 54.798 0.443 18166 4039 1 7 . 1 1 55 55 ASN CB C 55 36.277 36.277 38.349 -2.072 18166 4040 1 7 . 1 1 55 55 ASN H H 55 7.729 7.729 7.759 -0.030 18166 4041 1 7 . 1 1 56 56 ARG N N 56 122.589 122.589 120.474 2.115 18166 4042 1 7 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.792 0.341 18166 4043 1 7 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.157 2.404 18166 4044 1 7 . 1 1 56 56 ARG CB C 56 29.069 29.069 30.036 -0.967 18166 4045 1 7 . 1 1 56 56 ARG H H 56 8.329 8.329 7.512 0.817 18166 4046 1 7 . 1 1 57 57 ALA N N 57 122.569 122.569 120.624 1.945 18166 4047 1 7 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.133 0.127 18166 4048 1 7 . 1 1 57 57 ALA CA C 57 56.075 56.075 55.057 1.018 18166 4049 1 7 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.375 1.514 18166 4050 1 7 . 1 1 57 57 ALA H H 57 8.857 8.857 8.431 0.426 18166 4051 1 7 . 1 1 58 58 ALA N N 58 120.015 120.015 120.977 -0.962 18166 4052 1 7 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.068 0.015 18166 4053 1 7 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.568 0.482 18166 4054 1 7 . 1 1 58 58 ALA CB C 58 17.824 17.824 17.926 -0.102 18166 4055 1 7 . 1 1 58 58 ALA H H 58 7.574 7.574 7.702 -0.128 18166 4056 1 7 . 1 1 59 59 CYS N N 59 117.074 117.074 117.414 -0.340 18166 4057 1 7 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.184 -0.122 18166 4058 1 7 . 1 1 59 59 CYS CA C 59 63.245 63.245 63.389 -0.144 18166 4059 1 7 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.424 0.403 18166 4060 1 7 . 1 1 59 59 CYS H H 59 7.523 7.523 7.501 0.022 18166 4061 1 7 . 1 1 60 60 TYR N N 60 118.554 118.554 119.352 -0.798 18166 4062 1 7 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.240 0.047 18166 4063 1 7 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.300 1.604 18166 4064 1 7 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.182 1.095 18166 4065 1 7 . 1 1 60 60 TYR H H 60 8.684 8.684 8.022 0.662 18166 4066 1 7 . 1 1 61 61 THR N N 61 116.951 116.951 111.501 5.450 18166 4067 1 7 . 1 1 61 61 THR HA H 61 4.264 4.264 3.014 1.250 18166 4068 1 7 . 1 1 61 61 THR CA C 61 67.645 67.645 65.507 2.138 18166 4069 1 7 . 1 1 61 61 THR CB C 61 67.784 67.784 68.006 -0.222 18166 4070 1 7 . 1 1 61 61 THR H H 61 8.572 8.572 8.200 0.372 18166 4071 1 7 . 1 1 62 62 LYS N N 62 122.578 122.578 121.874 0.704 18166 4072 1 7 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.247 -0.323 18166 4073 1 7 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.033 -0.827 18166 4074 1 7 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.009 -1.215 18166 4075 1 7 . 1 1 62 62 LYS H H 62 7.410 7.410 7.688 -0.278 18166 4076 1 7 . 1 1 63 63 LEU N N 63 117.404 117.404 118.214 -0.810 18166 4077 1 7 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.365 -0.149 18166 4078 1 7 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.819 -0.774 18166 4079 1 7 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.280 -0.637 18166 4080 1 7 . 1 1 63 63 LEU H H 63 7.397 7.397 7.547 -0.150 18166 4081 1 7 . 1 1 64 64 LEU N N 64 113.668 113.668 115.140 -1.472 18166 4082 1 7 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.247 -1.277 18166 4083 1 7 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.394 -1.576 18166 4084 1 7 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.145 -1.895 18166 4085 1 7 . 1 1 64 64 LEU H H 64 7.457 7.457 7.736 -0.279 18166 4086 1 7 . 1 1 65 65 GLU N N 65 120.636 120.636 120.427 0.209 18166 4087 1 7 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.432 -0.029 18166 4088 1 7 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.100 -1.870 18166 4089 1 7 . 1 1 65 65 GLU CB C 65 27.090 27.090 28.077 -0.987 18166 4090 1 7 . 1 1 65 65 GLU H H 65 8.085 8.085 8.157 -0.072 18166 4091 1 7 . 1 1 66 66 PHE N N 66 118.292 118.292 120.403 -2.111 18166 4092 1 7 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.158 -0.132 18166 4093 1 7 . 1 1 66 66 PHE CA C 66 60.989 60.989 61.722 -0.733 18166 4094 1 7 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.689 -0.406 18166 4095 1 7 . 1 1 66 66 PHE H H 66 6.812 6.812 7.956 -1.144 18166 4096 1 7 . 1 1 67 67 GLN N N 67 117.166 117.166 118.237 -1.071 18166 4097 1 7 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.018 -0.035 18166 4098 1 7 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.842 -0.164 18166 4099 1 7 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.895 -1.052 18166 4100 1 7 . 1 1 67 67 GLN H H 67 8.589 8.589 8.536 0.053 18166 4101 1 7 . 1 1 68 68 LEU N N 68 119.871 119.871 118.846 1.025 18166 4102 1 7 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.033 -0.267 18166 4103 1 7 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.851 0.624 18166 4104 1 7 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.984 -2.964 18166 4105 1 7 . 1 1 68 68 LEU H H 68 7.422 7.422 7.837 -0.415 18166 4106 1 7 . 1 1 69 69 ALA N N 69 121.380 121.380 121.838 -0.458 18166 4107 1 7 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.214 -0.081 18166 4108 1 7 . 1 1 69 69 ALA CA C 69 55.828 55.828 54.932 0.896 18166 4109 1 7 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.347 0.160 18166 4110 1 7 . 1 1 69 69 ALA H H 69 7.871 7.871 7.530 0.341 18166 4111 1 7 . 1 1 70 70 LEU N N 70 118.569 118.569 119.086 -0.517 18166 4112 1 7 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.902 -0.088 18166 4113 1 7 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.780 0.799 18166 4114 1 7 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.869 -0.943 18166 4115 1 7 . 1 1 70 70 LEU H H 70 8.519 8.519 8.263 0.256 18166 4116 1 7 . 1 1 71 71 LYS N N 71 119.700 119.700 117.597 2.103 18166 4117 1 7 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.946 0.031 18166 4118 1 7 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.224 -0.029 18166 4119 1 7 . 1 1 71 71 LYS H H 71 7.619 7.619 7.440 0.179 18166 4120 1 7 . 1 1 72 72 ASP N N 72 121.506 121.506 120.093 1.413 18166 4121 1 7 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.613 0.001 18166 4122 1 7 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.656 -0.363 18166 4123 1 7 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.181 -1.199 18166 4124 1 7 . 1 1 72 72 ASP H H 72 7.460 7.460 8.404 -0.944 18166 4125 1 7 . 1 1 73 73 CYS N N 73 118.302 118.302 118.052 0.250 18166 4126 1 7 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.252 -0.418 18166 4127 1 7 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.547 3.140 18166 4128 1 7 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.951 -1.405 18166 4129 1 7 . 1 1 73 73 CYS H H 73 8.366 8.366 7.576 0.790 18166 4130 1 7 . 1 1 74 74 GLU N N 74 117.660 117.660 119.554 -1.894 18166 4131 1 7 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.029 -0.128 18166 4132 1 7 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.175 -0.962 18166 4133 1 7 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.243 -1.227 18166 4134 1 7 . 1 1 74 74 GLU H H 74 8.244 8.244 8.153 0.091 18166 4135 1 7 . 1 1 75 75 GLU N N 75 119.807 119.807 116.526 3.281 18166 4136 1 7 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.248 -0.355 18166 4137 1 7 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.094 0.055 18166 4138 1 7 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.953 -3.279 18166 4139 1 7 . 1 1 75 75 GLU H H 75 7.394 7.394 7.747 -0.353 18166 4140 1 7 . 1 1 76 76 CYS N N 76 118.342 118.342 119.698 -1.356 18166 4141 1 7 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.648 0.193 18166 4142 1 7 . 1 1 76 76 CYS CA C 76 64.303 64.303 62.468 1.835 18166 4143 1 7 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.754 -0.383 18166 4144 1 7 . 1 1 76 76 CYS H H 76 7.852 7.852 7.599 0.253 18166 4145 1 7 . 1 1 77 77 ILE N N 77 117.728 117.728 117.919 -0.191 18166 4146 1 7 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.268 -0.788 18166 4147 1 7 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.462 0.748 18166 4148 1 7 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.792 0.757 18166 4149 1 7 . 1 1 77 77 ILE H H 77 7.897 7.897 7.718 0.179 18166 4150 1 7 . 1 1 78 78 GLN N N 78 117.037 117.037 117.752 -0.715 18166 4151 1 7 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.128 -0.223 18166 4152 1 7 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.602 0.612 18166 4153 1 7 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.980 -0.630 18166 4154 1 7 . 1 1 78 78 GLN H H 78 7.655 7.655 7.708 -0.053 18166 4155 1 7 . 1 1 79 79 LEU N N 79 118.180 118.180 119.060 -0.880 18166 4156 1 7 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.182 -0.087 18166 4157 1 7 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.476 0.039 18166 4158 1 7 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.003 1.041 18166 4159 1 7 . 1 1 79 79 LEU H H 79 8.021 8.021 7.333 0.688 18166 4160 1 7 . 1 1 80 80 GLU N N 80 117.250 117.250 116.982 0.268 18166 4161 1 7 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.754 0.082 18166 4162 1 7 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.153 0.389 18166 4163 1 7 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.978 -0.199 18166 4164 1 7 . 1 1 80 80 GLU H H 80 8.403 8.403 7.870 0.533 18166 4165 1 7 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.761 0.105 18166 4166 1 7 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.117 0.628 18166 4167 1 7 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.390 -0.638 18166 4168 1 7 . 1 1 82 82 THR N N 82 107.443 107.443 111.601 -4.158 18166 4169 1 7 . 1 1 82 82 THR HA H 82 4.607 4.607 4.336 0.271 18166 4170 1 7 . 1 1 82 82 THR CA C 82 61.139 61.139 60.646 0.493 18166 4171 1 7 . 1 1 82 82 THR CB C 82 68.785 68.785 69.033 -0.248 18166 4172 1 7 . 1 1 82 82 THR H H 82 8.129 8.129 7.972 0.157 18166 4173 1 7 . 1 1 83 83 PHE N N 83 123.490 123.490 124.226 -0.736 18166 4174 1 7 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.651 0.479 18166 4175 1 7 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.336 -0.624 18166 4176 1 7 . 1 1 83 83 PHE CB C 83 38.263 38.263 39.584 -1.321 18166 4177 1 7 . 1 1 83 83 PHE H H 83 8.022 8.022 7.483 0.539 18166 4178 1 7 . 1 1 84 84 ILE N N 84 131.837 131.837 128.771 3.066 18166 4179 1 7 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.479 0.471 18166 4180 1 7 . 1 1 84 84 ILE CA C 84 64.230 64.230 65.420 -1.190 18166 4181 1 7 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.450 0.519 18166 4182 1 7 . 1 1 84 84 ILE H H 84 8.955 8.955 8.445 0.510 18166 4183 1 7 . 1 1 85 85 LYS N N 85 115.465 115.465 118.427 -2.962 18166 4184 1 7 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.054 0.404 18166 4185 1 7 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.843 -2.507 18166 4186 1 7 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.199 0.282 18166 4187 1 7 . 1 1 85 85 LYS H H 85 6.000 6.000 7.718 -1.718 18166 4188 1 7 . 1 1 86 86 GLY N N 86 103.958 103.958 107.608 -3.650 18166 4189 1 7 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.251 0.910 18166 4190 1 7 . 1 1 86 86 GLY H H 86 6.966 6.966 7.492 -0.526 18166 4191 1 7 . 1 1 87 87 TYR N N 87 115.851 115.851 121.432 -5.581 18166 4192 1 7 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.360 -0.420 18166 4193 1 7 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.574 -0.377 18166 4194 1 7 . 1 1 87 87 TYR CB C 87 38.233 38.233 38.267 -0.034 18166 4195 1 7 . 1 1 87 87 TYR H H 87 6.814 6.814 7.541 -0.727 18166 4196 1 7 . 1 1 88 88 THR N N 88 109.840 109.840 113.015 -3.175 18166 4197 1 7 . 1 1 88 88 THR HA H 88 4.328 4.328 4.111 0.217 18166 4198 1 7 . 1 1 88 88 THR CA C 88 66.353 66.353 65.929 0.424 18166 4199 1 7 . 1 1 88 88 THR CB C 88 66.371 66.371 68.402 -2.031 18166 4200 1 7 . 1 1 88 88 THR H H 88 8.318 8.318 8.428 -0.110 18166 4201 1 7 . 1 1 89 89 ARG N N 89 121.855 121.855 121.354 0.501 18166 4202 1 7 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.328 -0.251 18166 4203 1 7 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.866 1.163 18166 4204 1 7 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.533 -0.260 18166 4205 1 7 . 1 1 89 89 ARG H H 89 8.320 8.320 7.532 0.788 18166 4206 1 7 . 1 1 90 90 LYS N N 90 124.436 124.436 121.033 3.403 18166 4207 1 7 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.053 -0.124 18166 4208 1 7 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.851 1.011 18166 4209 1 7 . 1 1 90 90 LYS H H 90 7.379 7.379 7.822 -0.443 18166 4210 1 7 . 1 1 91 91 ALA N N 91 121.179 121.179 119.746 1.433 18166 4211 1 7 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.824 -0.332 18166 4212 1 7 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.767 0.286 18166 4213 1 7 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.570 -2.125 18166 4214 1 7 . 1 1 91 91 ALA H H 91 8.460 8.460 7.857 0.603 18166 4215 1 7 . 1 1 92 92 ALA N N 92 118.165 118.165 121.264 -3.099 18166 4216 1 7 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.340 -0.216 18166 4217 1 7 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.620 0.247 18166 4218 1 7 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.648 -0.628 18166 4219 1 7 . 1 1 92 92 ALA H H 92 7.871 7.871 7.576 0.295 18166 4220 1 7 . 1 1 93 93 ALA N N 93 123.065 123.065 121.845 1.220 18166 4221 1 7 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.338 -0.348 18166 4222 1 7 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.900 0.437 18166 4223 1 7 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.520 -1.899 18166 4224 1 7 . 1 1 93 93 ALA H H 93 7.649 7.649 7.702 -0.053 18166 4225 1 7 . 1 1 94 94 LEU N N 94 117.762 117.762 118.626 -0.864 18166 4226 1 7 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.818 0.298 18166 4227 1 7 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.712 -0.062 18166 4228 1 7 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.569 0.233 18166 4229 1 7 . 1 1 94 94 LEU H H 94 7.847 7.847 8.196 -0.349 18166 4230 1 7 . 1 1 95 95 GLU N N 95 121.139 121.139 118.450 2.689 18166 4231 1 7 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.063 -0.708 18166 4232 1 7 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.067 0.061 18166 4233 1 7 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.919 -0.526 18166 4234 1 7 . 1 1 95 95 GLU H H 95 8.971 8.971 8.244 0.727 18166 4235 1 7 . 1 1 96 96 ALA N N 96 124.630 124.630 119.415 5.215 18166 4236 1 7 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.075 -0.124 18166 4237 1 7 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.613 0.959 18166 4238 1 7 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.451 -1.092 18166 4239 1 7 . 1 1 96 96 ALA H H 96 7.890 7.890 7.486 0.404 18166 4240 1 7 . 1 1 97 97 MET N N 97 115.484 115.484 116.826 -1.342 18166 4241 1 7 . 1 1 97 97 MET HA H 97 3.714 3.714 4.412 -0.698 18166 4242 1 7 . 1 1 97 97 MET CA C 97 56.071 56.071 53.874 2.197 18166 4243 1 7 . 1 1 97 97 MET CB C 97 33.654 33.654 32.147 1.507 18166 4244 1 7 . 1 1 97 97 MET H H 97 7.155 7.155 7.454 -0.299 18166 4245 1 7 . 1 1 98 98 LYS N N 98 112.882 112.882 114.418 -1.536 18166 4246 1 7 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.045 -0.315 18166 4247 1 7 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.174 -0.422 18166 4248 1 7 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.078 -0.958 18166 4249 1 7 . 1 1 98 98 LYS H H 98 7.597 7.597 7.519 0.078 18166 4250 1 7 . 1 1 99 99 ASP N N 99 120.642 120.642 120.197 0.445 18166 4251 1 7 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.706 0.131 18166 4252 1 7 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.284 -2.522 18166 4253 1 7 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.002 -1.323 18166 4254 1 7 . 1 1 99 99 ASP H H 99 7.888 7.888 7.974 -0.086 18166 4255 1 7 . 1 1 100 100 TYR N N 100 117.948 117.948 119.288 -1.340 18166 4256 1 7 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.201 -0.256 18166 4257 1 7 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.194 1.740 18166 4258 1 7 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.157 0.482 18166 4259 1 7 . 1 1 100 100 TYR H H 100 6.984 6.984 7.127 -0.143 18166 4260 1 7 . 1 1 101 101 THR N N 101 113.752 113.752 109.457 4.295 18166 4261 1 7 . 1 1 101 101 THR HA H 101 4.008 4.008 4.052 -0.044 18166 4262 1 7 . 1 1 101 101 THR CA C 101 65.857 65.857 65.134 0.723 18166 4263 1 7 . 1 1 101 101 THR CB C 101 67.689 67.689 68.612 -0.923 18166 4264 1 7 . 1 1 101 101 THR H H 101 8.543 8.543 8.333 0.210 18166 4265 1 7 . 1 1 102 102 LYS N N 102 120.641 120.641 120.562 0.079 18166 4266 1 7 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.832 -0.690 18166 4267 1 7 . 1 1 102 102 LYS CA C 102 59.086 59.086 56.670 2.416 18166 4268 1 7 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.323 -0.144 18166 4269 1 7 . 1 1 102 102 LYS H H 102 7.348 7.348 7.710 -0.362 18166 4270 1 7 . 1 1 103 103 ALA N N 103 120.302 120.302 123.798 -3.496 18166 4271 1 7 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.887 -0.222 18166 4272 1 7 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.392 0.263 18166 4273 1 7 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.568 0.321 18166 4274 1 7 . 1 1 103 103 ALA H H 103 8.344 8.344 8.493 -0.149 18166 4275 1 7 . 1 1 104 104 MET N N 104 116.430 116.430 114.924 1.506 18166 4276 1 7 . 1 1 104 104 MET HA H 104 3.939 3.939 4.560 -0.621 18166 4277 1 7 . 1 1 104 104 MET CA C 104 61.020 61.020 59.271 1.749 18166 4278 1 7 . 1 1 104 104 MET CB C 104 33.904 33.904 32.404 1.500 18166 4279 1 7 . 1 1 104 104 MET H H 104 8.375 8.375 8.322 0.053 18166 4280 1 7 . 1 1 105 105 ASP N N 105 117.449 117.449 120.737 -3.288 18166 4281 1 7 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.489 0.021 18166 4282 1 7 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.758 -0.645 18166 4283 1 7 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.568 -0.359 18166 4284 1 7 . 1 1 105 105 ASP H H 105 7.319 7.319 8.318 -0.999 18166 4285 1 7 . 1 1 106 106 VAL N N 106 121.168 121.168 120.089 1.079 18166 4286 1 7 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.856 -0.106 18166 4287 1 7 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.558 0.422 18166 4288 1 7 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.791 -1.030 18166 4289 1 7 . 1 1 106 106 VAL H H 106 7.825 7.825 7.545 0.280 18166 4290 1 7 . 1 1 107 107 TYR N N 107 120.714 120.714 119.598 1.116 18166 4291 1 7 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.224 0.047 18166 4292 1 7 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.478 0.975 18166 4293 1 7 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.586 0.568 18166 4294 1 7 . 1 1 107 107 TYR H H 107 9.215 9.215 8.543 0.672 18166 4295 1 7 . 1 1 108 108 GLN N N 108 117.293 117.293 118.914 -1.621 18166 4296 1 7 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.915 -0.082 18166 4297 1 7 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.966 -0.264 18166 4298 1 7 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.309 -0.064 18166 4299 1 7 . 1 1 108 108 GLN H H 108 8.605 8.605 7.998 0.607 18166 4300 1 7 . 1 1 109 109 LYS N N 109 120.342 120.342 118.392 1.950 18166 4301 1 7 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.048 -0.046 18166 4302 1 7 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.242 0.295 18166 4303 1 7 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.038 -1.016 18166 4304 1 7 . 1 1 109 109 LYS H H 109 7.571 7.571 8.153 -0.582 18166 4305 1 7 . 1 1 110 110 ALA N N 110 119.851 119.851 122.323 -2.472 18166 4306 1 7 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.967 -0.188 18166 4307 1 7 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.959 0.093 18166 4308 1 7 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.208 -0.520 18166 4309 1 7 . 1 1 110 110 ALA H H 110 7.693 7.693 7.919 -0.226 18166 4310 1 7 . 1 1 111 111 LEU N N 111 117.859 117.859 117.274 0.585 18166 4311 1 7 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.171 -0.094 18166 4312 1 7 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.300 -1.089 18166 4313 1 7 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.790 0.019 18166 4314 1 7 . 1 1 111 111 LEU H H 111 7.811 7.811 7.980 -0.169 18166 4315 1 7 . 1 1 112 112 ASP N N 112 118.421 118.421 118.336 0.085 18166 4316 1 7 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.419 -0.168 18166 4317 1 7 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.491 -0.729 18166 4318 1 7 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.324 -2.129 18166 4319 1 7 . 1 1 112 112 ASP H H 112 8.099 8.099 7.876 0.223 18166 4320 1 7 . 1 1 113 113 LEU N N 113 120.299 120.299 118.907 1.392 18166 4321 1 7 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.131 0.026 18166 4322 1 7 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.305 0.229 18166 4323 1 7 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.599 -0.120 18166 4324 1 7 . 1 1 113 113 LEU H H 113 7.319 7.319 7.407 -0.088 18166 4325 1 7 . 1 1 114 114 ASP N N 114 118.196 118.196 114.763 3.433 18166 4326 1 7 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.758 -0.120 18166 4327 1 7 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.771 -0.583 18166 4328 1 7 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.744 -2.477 18166 4329 1 7 . 1 1 114 114 ASP H H 114 8.190 8.190 7.579 0.611 18166 4330 1 7 . 1 1 115 115 SER N N 115 121.421 121.421 119.574 1.847 18166 4331 1 7 . 1 1 115 115 SER HA H 115 4.272 4.272 4.182 0.090 18166 4332 1 7 . 1 1 115 115 SER CA C 115 60.133 60.133 60.767 -0.634 18166 4333 1 7 . 1 1 115 115 SER CB C 115 62.791 62.791 63.383 -0.592 18166 4334 1 7 . 1 1 115 115 SER H H 115 8.775 8.775 8.694 0.081 18166 4335 1 7 . 1 1 116 116 SER N N 116 116.860 116.860 117.490 -0.630 18166 4336 1 7 . 1 1 116 116 SER HA H 116 4.481 4.481 4.218 0.263 18166 4337 1 7 . 1 1 116 116 SER CA C 116 57.961 57.961 60.650 -2.689 18166 4338 1 7 . 1 1 116 116 SER CB C 116 63.960 63.960 62.564 1.396 18166 4339 1 7 . 1 1 116 116 SER H H 116 8.404 8.404 8.357 0.047 18166 4340 1 7 . 1 1 117 117 CYS N N 117 121.814 121.814 121.711 0.103 18166 4341 1 7 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.489 -0.178 18166 4342 1 7 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.416 0.556 18166 4343 1 7 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.198 -0.332 18166 4344 1 7 . 1 1 117 117 CYS H H 117 7.401 7.401 7.756 -0.355 18166 4345 1 7 . 1 1 118 118 LYS N N 118 105.939 105.939 120.788 -14.849 18166 4346 1 7 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.865 0.107 18166 4347 1 7 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.059 -0.191 18166 4348 1 7 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.464 0.892 18166 4349 1 7 . 1 1 118 118 LYS H H 118 8.647 8.647 8.064 0.583 18166 4350 1 7 . 1 1 119 119 GLU N N 119 117.724 117.724 118.665 -0.941 18166 4351 1 7 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.175 -0.044 18166 4352 1 7 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.033 -0.033 18166 4353 1 7 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.841 0.631 18166 4354 1 7 . 1 1 119 119 GLU H H 119 8.998 8.998 8.325 0.673 18166 4355 1 7 . 1 1 120 120 ALA N N 120 120.855 120.855 120.649 0.206 18166 4356 1 7 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.344 0.024 18166 4357 1 7 . 1 1 120 120 ALA CA C 120 53.306 53.306 53.844 -0.538 18166 4358 1 7 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.608 -0.495 18166 4359 1 7 . 1 1 120 120 ALA H H 120 7.494 7.494 8.307 -0.813 18166 4360 1 7 . 1 1 121 121 ALA N N 121 123.265 123.265 122.491 0.774 18166 4361 1 7 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.125 -0.130 18166 4362 1 7 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.969 -0.177 18166 4363 1 7 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.541 -0.737 18166 4364 1 7 . 1 1 121 121 ALA H H 121 7.914 7.914 7.726 0.188 18166 4365 1 7 . 1 1 122 122 ASP N N 122 118.732 118.732 118.774 -0.042 18166 4366 1 7 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.247 0.024 18166 4367 1 7 . 1 1 122 122 ASP CA C 122 56.242 56.242 58.310 -2.068 18166 4368 1 7 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.663 -1.548 18166 4369 1 7 . 1 1 122 122 ASP H H 122 8.964 8.964 8.148 0.816 18166 4370 1 7 . 1 1 123 123 GLY N N 123 108.568 108.568 106.973 1.595 18166 4371 1 7 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.498 0.116 18166 4372 1 7 . 1 1 123 123 GLY H H 123 7.572 7.572 7.926 -0.354 18166 4373 1 7 . 1 1 124 124 TYR N N 124 122.944 122.944 123.074 -0.130 18166 4374 1 7 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.687 -0.073 18166 4375 1 7 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.308 2.876 18166 4376 1 7 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.229 -0.332 18166 4377 1 7 . 1 1 124 124 TYR H H 124 8.162 8.162 7.453 0.709 18166 4378 1 7 . 1 1 125 125 GLN N N 125 115.988 115.988 117.814 -1.826 18166 4379 1 7 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.605 0.270 18166 4380 1 7 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.956 -0.336 18166 4381 1 7 . 1 1 125 125 GLN CB C 125 28.137 28.137 28.042 0.095 18166 4382 1 7 . 1 1 125 125 GLN H H 125 7.510 7.510 8.119 -0.609 18166 4383 1 7 . 1 1 126 126 ARG N N 126 118.626 118.626 117.405 1.221 18166 4384 1 7 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.051 -0.118 18166 4385 1 7 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.286 1.531 18166 4386 1 7 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.689 1.403 18166 4387 1 7 . 1 1 126 126 ARG H H 126 8.139 8.139 7.656 0.483 18166 4388 1 7 . 1 1 127 127 CYS N N 127 116.985 116.985 118.753 -1.768 18166 4389 1 7 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.017 -0.128 18166 4390 1 7 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.424 1.539 18166 4391 1 7 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.672 -0.906 18166 4392 1 7 . 1 1 127 127 CYS H H 127 8.097 8.097 7.551 0.546 18166 4393 1 7 . 1 1 128 128 MET N N 128 120.493 120.493 118.867 1.626 18166 4394 1 7 . 1 1 128 128 MET HA H 128 3.989 3.989 3.765 0.224 18166 4395 1 7 . 1 1 128 128 MET CA C 128 58.420 58.420 58.545 -0.125 18166 4396 1 7 . 1 1 128 128 MET CB C 128 31.539 31.539 31.849 -0.311 18166 4397 1 7 . 1 1 128 128 MET H H 128 8.163 8.163 7.885 0.278 18166 4398 1 7 . 1 1 129 129 MET N N 129 115.583 115.583 117.292 -1.709 18166 4399 1 7 . 1 1 129 129 MET HA H 129 4.211 4.211 4.307 -0.096 18166 4400 1 7 . 1 1 129 129 MET CA C 129 56.677 56.677 57.651 -0.974 18166 4401 1 7 . 1 1 129 129 MET CB C 129 31.951 31.951 32.230 -0.279 18166 4402 1 7 . 1 1 129 129 MET H H 129 7.723 7.723 7.410 0.313 18166 4403 1 7 . 1 1 130 130 ALA N N 130 121.061 121.061 120.812 0.249 18166 4404 1 7 . 1 1 130 130 ALA HA H 130 3.908 3.908 4.117 -0.209 18166 4405 1 7 . 1 1 130 130 ALA CA C 130 53.080 53.080 53.828 -0.748 18166 4406 1 7 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.200 -1.696 18166 4407 1 7 . 1 1 130 130 ALA H H 130 7.458 7.458 7.551 -0.093 18166 4408 1 7 . 1 1 131 131 GLN N N 131 114.560 114.560 115.521 -0.961 18166 4409 1 7 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.285 -0.279 18166 4410 1 7 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.409 -0.606 18166 4411 1 7 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.453 -0.348 18166 4412 1 7 . 1 1 131 131 GLN H H 131 7.214 7.214 7.174 0.040 18166 4413 1 7 . 1 1 132 132 TYR N N 132 117.856 117.856 118.580 -0.724 18166 4414 1 7 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.661 -0.019 18166 4415 1 7 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.379 2.179 18166 4416 1 7 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.974 1.338 18166 4417 1 7 . 1 1 132 132 TYR H H 132 7.545 7.545 7.341 0.204 18166 4418 1 8 . 1 1 2 2 GLY N N 2 109.986 109.986 111.250 -1.264 18166 4419 1 8 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.776 0.034 18166 4420 1 8 . 1 1 2 2 GLY H H 2 8.520 8.520 8.596 -0.076 18166 4421 1 8 . 1 1 3 3 HIS N N 3 117.442 117.442 122.081 -4.639 18166 4422 1 8 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.534 0.086 18166 4423 1 8 . 1 1 3 3 HIS CB C 3 28.428 28.428 29.265 -0.837 18166 4424 1 8 . 1 1 3 3 HIS H H 3 8.406 8.406 8.056 0.350 18166 4425 1 8 . 1 1 4 4 HIS N N 4 118.932 118.932 125.464 -6.532 18166 4426 1 8 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.337 0.291 18166 4427 1 8 . 1 1 4 4 HIS CA C 4 54.907 54.907 57.579 -2.672 18166 4428 1 8 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.466 -2.268 18166 4429 1 8 . 1 1 4 4 HIS H H 4 8.552 8.552 8.482 0.070 18166 4430 1 8 . 1 1 5 5 HIS N N 5 119.580 119.580 115.498 4.082 18166 4431 1 8 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.412 0.236 18166 4432 1 8 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.059 -0.926 18166 4433 1 8 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.869 -2.108 18166 4434 1 8 . 1 1 5 5 HIS H H 5 8.615 8.615 7.843 0.772 18166 4435 1 8 . 1 1 6 6 HIS N N 6 121.369 121.369 127.457 -6.088 18166 4436 1 8 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.435 0.213 18166 4437 1 8 . 1 1 6 6 HIS CA C 6 54.949 54.949 56.654 -1.705 18166 4438 1 8 . 1 1 6 6 HIS CB C 6 29.100 29.100 28.362 0.738 18166 4439 1 8 . 1 1 6 6 HIS H H 6 8.732 8.732 8.338 0.394 18166 4440 1 8 . 1 1 7 7 HIS N N 7 120.276 120.276 127.133 -6.857 18166 4441 1 8 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.454 0.188 18166 4442 1 8 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.157 -0.010 18166 4443 1 8 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.216 -1.391 18166 4444 1 8 . 1 1 7 7 HIS H H 7 8.708 8.708 8.103 0.605 18166 4445 1 8 . 1 1 8 8 HIS N N 8 120.007 120.007 127.354 -7.347 18166 4446 1 8 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.248 0.448 18166 4447 1 8 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.362 -1.501 18166 4448 1 8 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.066 -1.370 18166 4449 1 8 . 1 1 8 8 HIS H H 8 8.708 8.708 8.408 0.300 18166 4450 1 8 . 1 1 9 9 SER N N 9 117.977 117.977 122.011 -4.034 18166 4451 1 8 . 1 1 9 9 SER HA H 9 4.404 4.404 4.086 0.318 18166 4452 1 8 . 1 1 9 9 SER CA C 9 57.718 57.718 57.233 0.485 18166 4453 1 8 . 1 1 9 9 SER CB C 9 63.246 63.246 64.999 -1.753 18166 4454 1 8 . 1 1 9 9 SER H H 9 8.535 8.535 7.949 0.586 18166 4455 1 8 . 1 1 10 10 HIS N N 10 120.441 120.441 117.188 3.253 18166 4456 1 8 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.358 0.337 18166 4457 1 8 . 1 1 10 10 HIS H H 10 8.744 8.744 8.083 0.661 18166 4458 1 8 . 1 1 11 11 MET N N 11 122.004 122.004 117.364 4.640 18166 4459 1 8 . 1 1 11 11 MET HA H 11 4.427 4.427 4.276 0.151 18166 4460 1 8 . 1 1 11 11 MET CA C 11 54.665 54.665 57.167 -2.502 18166 4461 1 8 . 1 1 11 11 MET CB C 11 32.913 32.913 32.651 0.262 18166 4462 1 8 . 1 1 11 11 MET H H 11 8.443 8.443 8.363 0.080 18166 4463 1 8 . 1 1 12 12 ASN N N 12 121.852 121.852 118.245 3.607 18166 4464 1 8 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.857 0.080 18166 4465 1 8 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.777 -0.397 18166 4466 1 8 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.406 -0.093 18166 4467 1 8 . 1 1 12 12 ASN H H 12 8.631 8.631 8.115 0.516 18166 4468 1 8 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.193 0.167 18166 4469 1 8 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.858 -1.709 18166 4470 1 8 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.218 -0.466 18166 4471 1 8 . 1 1 14 14 ASP N N 14 119.643 119.643 114.741 4.902 18166 4472 1 8 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.575 -0.032 18166 4473 1 8 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.701 0.327 18166 4474 1 8 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.408 -1.646 18166 4475 1 8 . 1 1 14 14 ASP H H 14 8.344 8.344 7.686 0.658 18166 4476 1 8 . 1 1 15 15 LEU N N 15 123.333 123.333 126.144 -2.811 18166 4477 1 8 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.089 0.060 18166 4478 1 8 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.719 -1.276 18166 4479 1 8 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.811 -0.435 18166 4480 1 8 . 1 1 15 15 LEU H H 15 8.119 8.119 8.737 -0.618 18166 4481 1 8 . 1 1 16 16 ALA N N 16 121.879 121.879 120.655 1.224 18166 4482 1 8 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.052 0.062 18166 4483 1 8 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.430 -1.060 18166 4484 1 8 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.682 -0.634 18166 4485 1 8 . 1 1 16 16 ALA H H 16 8.212 8.212 7.975 0.237 18166 4486 1 8 . 1 1 17 17 LEU N N 17 118.990 118.990 115.952 3.038 18166 4487 1 8 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.248 -0.109 18166 4488 1 8 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.492 -1.383 18166 4489 1 8 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.793 -0.417 18166 4490 1 8 . 1 1 17 17 LEU H H 17 7.719 7.719 7.541 0.178 18166 4491 1 8 . 1 1 18 18 MET N N 18 118.534 118.534 118.354 0.180 18166 4492 1 8 . 1 1 18 18 MET HA H 18 4.274 4.274 4.315 -0.041 18166 4493 1 8 . 1 1 18 18 MET CA C 18 56.497 56.497 57.118 -0.621 18166 4494 1 8 . 1 1 18 18 MET CB C 18 31.787 31.787 31.273 0.514 18166 4495 1 8 . 1 1 18 18 MET H H 18 7.996 7.996 7.656 0.340 18166 4496 1 8 . 1 1 19 19 VAL N N 19 119.243 119.243 118.999 0.244 18166 4497 1 8 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.800 0.033 18166 4498 1 8 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.047 -1.313 18166 4499 1 8 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.491 0.166 18166 4500 1 8 . 1 1 19 19 VAL H H 19 7.915 7.915 7.571 0.344 18166 4501 1 8 . 1 1 20 20 LYS N N 20 123.321 123.321 118.332 4.989 18166 4502 1 8 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.186 -0.209 18166 4503 1 8 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.190 -0.847 18166 4504 1 8 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.840 0.156 18166 4505 1 8 . 1 1 20 20 LYS H H 20 8.139 8.139 7.624 0.515 18166 4506 1 8 . 1 1 21 21 ASN N N 21 118.732 118.732 119.691 -0.959 18166 4507 1 8 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.458 0.120 18166 4508 1 8 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.166 -1.926 18166 4509 1 8 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.133 -0.394 18166 4510 1 8 . 1 1 21 21 ASN H H 21 8.349 8.349 7.834 0.515 18166 4511 1 8 . 1 1 22 22 LYS N N 22 121.941 121.941 119.727 2.214 18166 4512 1 8 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.309 -0.285 18166 4513 1 8 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.616 -0.306 18166 4514 1 8 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.431 0.088 18166 4515 1 8 . 1 1 22 22 LYS H H 22 8.185 8.185 7.335 0.850 18166 4516 1 8 . 1 1 23 23 GLY N N 23 107.792 107.792 108.036 -0.244 18166 4517 1 8 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.745 1.021 18166 4518 1 8 . 1 1 23 23 GLY H H 23 8.336 8.336 7.700 0.636 18166 4519 1 8 . 1 1 24 24 ASN N N 24 120.049 120.049 120.796 -0.747 18166 4520 1 8 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.506 0.078 18166 4521 1 8 . 1 1 24 24 ASN CA C 24 55.201 55.201 56.156 -0.955 18166 4522 1 8 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.783 -1.213 18166 4523 1 8 . 1 1 24 24 ASN H H 24 8.337 8.337 8.111 0.226 18166 4524 1 8 . 1 1 25 25 GLU N N 25 121.510 121.510 121.227 0.283 18166 4525 1 8 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.103 -0.056 18166 4526 1 8 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.306 -0.329 18166 4527 1 8 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.392 -0.288 18166 4528 1 8 . 1 1 25 25 GLU H H 25 8.366 8.366 7.971 0.395 18166 4529 1 8 . 1 1 26 26 CYS N N 26 116.512 116.512 118.112 -1.600 18166 4530 1 8 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.086 0.016 18166 4531 1 8 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.903 0.101 18166 4532 1 8 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.110 0.146 18166 4533 1 8 . 1 1 26 26 CYS H H 26 8.092 8.092 7.961 0.131 18166 4534 1 8 . 1 1 27 27 PHE N N 27 122.066 122.066 120.952 1.114 18166 4535 1 8 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.334 -0.582 18166 4536 1 8 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.159 0.321 18166 4537 1 8 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.826 1.076 18166 4538 1 8 . 1 1 27 27 PHE H H 27 8.756 8.756 7.615 1.141 18166 4539 1 8 . 1 1 28 28 GLN N N 28 119.430 119.430 118.674 0.756 18166 4540 1 8 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.036 -0.020 18166 4541 1 8 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.012 0.113 18166 4542 1 8 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.182 0.028 18166 4543 1 8 . 1 1 28 28 GLN H H 28 8.574 8.574 7.954 0.620 18166 4544 1 8 . 1 1 29 29 LYS N N 29 116.011 116.011 116.981 -0.970 18166 4545 1 8 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.236 0.008 18166 4546 1 8 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.970 0.128 18166 4547 1 8 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.714 -0.178 18166 4548 1 8 . 1 1 29 29 LYS H H 29 7.410 7.410 7.593 -0.183 18166 4549 1 8 . 1 1 30 30 GLY N N 30 107.636 107.636 106.884 0.752 18166 4550 1 8 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.716 -0.133 18166 4551 1 8 . 1 1 30 30 GLY H H 30 7.566 7.566 7.702 -0.136 18166 4552 1 8 . 1 1 31 31 ASP N N 31 120.587 120.587 123.528 -2.941 18166 4553 1 8 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.824 -0.156 18166 4554 1 8 . 1 1 31 31 ASP CA C 31 51.041 51.041 54.107 -3.066 18166 4555 1 8 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.727 -1.009 18166 4556 1 8 . 1 1 31 31 ASP H H 31 7.826 7.826 7.868 -0.042 18166 4557 1 8 . 1 1 32 32 TYR N N 32 120.190 120.190 124.192 -4.002 18166 4558 1 8 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.504 -0.732 18166 4559 1 8 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.221 0.033 18166 4560 1 8 . 1 1 32 32 TYR H H 32 7.313 7.313 8.152 -0.839 18166 4561 1 8 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.354 -0.134 18166 4562 1 8 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.351 1.004 18166 4563 1 8 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.259 0.028 18166 4564 1 8 . 1 1 34 34 GLN N N 34 115.797 115.797 117.330 -1.533 18166 4565 1 8 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.983 -0.058 18166 4566 1 8 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.600 -0.436 18166 4567 1 8 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.417 0.961 18166 4568 1 8 . 1 1 34 34 GLN H H 34 7.278 7.278 8.778 -1.500 18166 4569 1 8 . 1 1 35 35 ALA N N 35 121.852 121.852 122.670 -0.818 18166 4570 1 8 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.981 0.091 18166 4571 1 8 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.958 0.639 18166 4572 1 8 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.323 0.222 18166 4573 1 8 . 1 1 35 35 ALA H H 35 8.376 8.376 7.720 0.656 18166 4574 1 8 . 1 1 36 36 MET N N 36 116.867 116.867 116.025 0.842 18166 4575 1 8 . 1 1 36 36 MET HA H 36 3.887 3.887 4.164 -0.277 18166 4576 1 8 . 1 1 36 36 MET CA C 36 59.400 59.400 58.895 0.505 18166 4577 1 8 . 1 1 36 36 MET CB C 36 30.626 30.626 32.476 -1.850 18166 4578 1 8 . 1 1 36 36 MET H H 36 8.538 8.538 7.742 0.796 18166 4579 1 8 . 1 1 37 37 LYS N N 37 122.037 122.037 117.849 4.188 18166 4580 1 8 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.000 -0.088 18166 4581 1 8 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.007 0.218 18166 4582 1 8 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.062 0.134 18166 4583 1 8 . 1 1 37 37 LYS H H 37 7.599 7.599 7.249 0.350 18166 4584 1 8 . 1 1 38 38 HIS N N 38 117.718 117.718 117.775 -0.057 18166 4585 1 8 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.666 -0.031 18166 4586 1 8 . 1 1 38 38 HIS CA C 38 58.000 58.000 57.470 0.530 18166 4587 1 8 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.483 -1.483 18166 4588 1 8 . 1 1 38 38 HIS H H 38 7.908 7.908 7.791 0.117 18166 4589 1 8 . 1 1 39 39 TYR N N 39 118.987 118.987 119.049 -0.062 18166 4590 1 8 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.472 -0.007 18166 4591 1 8 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.936 0.317 18166 4592 1 8 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.366 -0.575 18166 4593 1 8 . 1 1 39 39 TYR H H 39 9.156 9.156 8.035 1.121 18166 4594 1 8 . 1 1 40 40 THR N N 40 117.147 117.147 117.232 -0.085 18166 4595 1 8 . 1 1 40 40 THR HA H 40 3.872 3.872 3.871 0.001 18166 4596 1 8 . 1 1 40 40 THR CA C 40 67.449 67.449 67.205 0.244 18166 4597 1 8 . 1 1 40 40 THR CB C 40 68.728 68.728 68.612 0.116 18166 4598 1 8 . 1 1 40 40 THR H H 40 8.476 8.476 7.799 0.677 18166 4599 1 8 . 1 1 41 41 GLU N N 41 122.067 122.067 120.520 1.547 18166 4600 1 8 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.049 -0.070 18166 4601 1 8 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.968 -0.223 18166 4602 1 8 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.070 -0.347 18166 4603 1 8 . 1 1 41 41 GLU H H 41 7.762 7.762 7.864 -0.102 18166 4604 1 8 . 1 1 42 42 ALA N N 42 122.040 122.040 121.397 0.643 18166 4605 1 8 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.147 -0.178 18166 4606 1 8 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.543 0.626 18166 4607 1 8 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.921 -0.551 18166 4608 1 8 . 1 1 42 42 ALA H H 42 8.191 8.191 7.324 0.867 18166 4609 1 8 . 1 1 43 43 ILE N N 43 122.662 122.662 118.103 4.559 18166 4610 1 8 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.956 -0.640 18166 4611 1 8 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.959 0.639 18166 4612 1 8 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.729 0.758 18166 4613 1 8 . 1 1 43 43 ILE H H 43 8.427 8.427 7.763 0.664 18166 4614 1 8 . 1 1 44 44 LYS N N 44 117.349 117.349 117.353 -0.004 18166 4615 1 8 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.061 -0.120 18166 4616 1 8 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.977 0.724 18166 4617 1 8 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.999 -0.008 18166 4618 1 8 . 1 1 44 44 LYS H H 44 7.473 7.473 7.800 -0.327 18166 4619 1 8 . 1 1 45 45 ARG N N 45 114.723 114.723 116.512 -1.789 18166 4620 1 8 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.345 -0.172 18166 4621 1 8 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.022 0.384 18166 4622 1 8 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.252 -0.915 18166 4623 1 8 . 1 1 45 45 ARG H H 45 7.150 7.150 7.652 -0.502 18166 4624 1 8 . 1 1 46 46 ASN N N 46 115.919 115.919 117.018 -1.099 18166 4625 1 8 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.199 -0.126 18166 4626 1 8 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.195 -0.038 18166 4627 1 8 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.531 -0.900 18166 4628 1 8 . 1 1 46 46 ASN H H 46 7.885 7.885 8.129 -0.244 18166 4629 1 8 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.657 0.075 18166 4630 1 8 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.210 -0.005 18166 4631 1 8 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.321 -0.367 18166 4632 1 8 . 1 1 48 48 LYS N N 48 118.494 118.494 117.976 0.518 18166 4633 1 8 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.357 0.278 18166 4634 1 8 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.125 -1.125 18166 4635 1 8 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.941 -0.514 18166 4636 1 8 . 1 1 48 48 LYS H H 48 8.154 8.154 8.384 -0.230 18166 4637 1 8 . 1 1 49 49 ASP N N 49 119.387 119.387 120.388 -1.001 18166 4638 1 8 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.686 0.004 18166 4639 1 8 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.373 -0.495 18166 4640 1 8 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.906 -0.880 18166 4641 1 8 . 1 1 49 49 ASP H H 49 7.317 7.317 7.563 -0.246 18166 4642 1 8 . 1 1 50 50 ALA N N 50 128.206 128.206 129.027 -0.821 18166 4643 1 8 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.143 -0.102 18166 4644 1 8 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.408 0.156 18166 4645 1 8 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.914 1.176 18166 4646 1 8 . 1 1 50 50 ALA H H 50 8.466 8.466 7.913 0.553 18166 4647 1 8 . 1 1 51 51 LYS N N 51 113.628 113.628 116.548 -2.920 18166 4648 1 8 . 1 1 51 51 LYS HA H 51 3.877 3.877 3.839 0.038 18166 4649 1 8 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.255 1.059 18166 4650 1 8 . 1 1 51 51 LYS CB C 51 31.320 31.320 30.737 0.583 18166 4651 1 8 . 1 1 51 51 LYS H H 51 7.985 7.985 8.141 -0.156 18166 4652 1 8 . 1 1 52 52 LEU N N 52 117.207 117.207 120.330 -3.123 18166 4653 1 8 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.802 -0.130 18166 4654 1 8 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.787 -0.509 18166 4655 1 8 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.945 1.147 18166 4656 1 8 . 1 1 52 52 LEU H H 52 7.323 7.323 7.447 -0.124 18166 4657 1 8 . 1 1 53 53 TYR N N 53 116.167 116.167 117.690 -1.523 18166 4658 1 8 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.027 -0.149 18166 4659 1 8 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.499 0.074 18166 4660 1 8 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.744 0.403 18166 4661 1 8 . 1 1 53 53 TYR H H 53 6.955 6.955 7.486 -0.531 18166 4662 1 8 . 1 1 54 54 SER N N 54 112.799 112.799 114.584 -1.785 18166 4663 1 8 . 1 1 54 54 SER HA H 54 3.976 3.976 4.368 -0.392 18166 4664 1 8 . 1 1 54 54 SER CA C 54 61.200 61.200 60.636 0.564 18166 4665 1 8 . 1 1 54 54 SER CB C 54 62.184 62.184 62.269 -0.085 18166 4666 1 8 . 1 1 54 54 SER H H 54 7.661 7.661 7.644 0.017 18166 4667 1 8 . 1 1 55 55 ASN N N 55 119.126 119.126 120.581 -1.455 18166 4668 1 8 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.220 -0.121 18166 4669 1 8 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.572 -0.330 18166 4670 1 8 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.625 -1.348 18166 4671 1 8 . 1 1 55 55 ASN H H 55 7.729 7.729 8.010 -0.281 18166 4672 1 8 . 1 1 56 56 ARG N N 56 122.589 122.589 120.817 1.772 18166 4673 1 8 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.842 0.291 18166 4674 1 8 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.152 2.408 18166 4675 1 8 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.945 -0.876 18166 4676 1 8 . 1 1 56 56 ARG H H 56 8.329 8.329 7.142 1.187 18166 4677 1 8 . 1 1 57 57 ALA N N 57 122.569 122.569 120.834 1.735 18166 4678 1 8 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.218 0.042 18166 4679 1 8 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.838 1.237 18166 4680 1 8 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.383 1.506 18166 4681 1 8 . 1 1 57 57 ALA H H 57 8.857 8.857 7.620 1.237 18166 4682 1 8 . 1 1 58 58 ALA N N 58 120.015 120.015 120.737 -0.722 18166 4683 1 8 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.065 0.018 18166 4684 1 8 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.786 0.264 18166 4685 1 8 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.221 -0.397 18166 4686 1 8 . 1 1 58 58 ALA H H 58 7.574 7.574 7.873 -0.299 18166 4687 1 8 . 1 1 59 59 CYS N N 59 117.074 117.074 116.613 0.461 18166 4688 1 8 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.328 -0.266 18166 4689 1 8 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.465 0.780 18166 4690 1 8 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.641 0.186 18166 4691 1 8 . 1 1 59 59 CYS H H 59 7.523 7.523 7.444 0.079 18166 4692 1 8 . 1 1 60 60 TYR N N 60 118.554 118.554 120.391 -1.837 18166 4693 1 8 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.198 0.089 18166 4694 1 8 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.586 1.318 18166 4695 1 8 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.318 0.959 18166 4696 1 8 . 1 1 60 60 TYR H H 60 8.684 8.684 8.155 0.529 18166 4697 1 8 . 1 1 61 61 THR N N 61 116.951 116.951 112.081 4.870 18166 4698 1 8 . 1 1 61 61 THR HA H 61 4.264 4.264 2.882 1.382 18166 4699 1 8 . 1 1 61 61 THR CA C 61 67.645 67.645 65.827 1.818 18166 4700 1 8 . 1 1 61 61 THR CB C 61 67.784 67.784 68.340 -0.556 18166 4701 1 8 . 1 1 61 61 THR H H 61 8.572 8.572 7.878 0.694 18166 4702 1 8 . 1 1 62 62 LYS N N 62 122.578 122.578 121.105 1.473 18166 4703 1 8 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.208 -0.284 18166 4704 1 8 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.218 -1.012 18166 4705 1 8 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.051 -1.257 18166 4706 1 8 . 1 1 62 62 LYS H H 62 7.410 7.410 7.681 -0.271 18166 4707 1 8 . 1 1 63 63 LEU N N 63 117.404 117.404 118.211 -0.807 18166 4708 1 8 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.407 -0.192 18166 4709 1 8 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.587 -0.542 18166 4710 1 8 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.258 -0.615 18166 4711 1 8 . 1 1 63 63 LEU H H 63 7.397 7.397 7.450 -0.053 18166 4712 1 8 . 1 1 64 64 LEU N N 64 113.668 113.668 115.414 -1.746 18166 4713 1 8 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.002 -1.032 18166 4714 1 8 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.288 -1.470 18166 4715 1 8 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.058 -1.807 18166 4716 1 8 . 1 1 64 64 LEU H H 64 7.457 7.457 7.651 -0.194 18166 4717 1 8 . 1 1 65 65 GLU N N 65 120.636 120.636 119.908 0.728 18166 4718 1 8 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.323 0.080 18166 4719 1 8 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.049 -1.819 18166 4720 1 8 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.014 0.076 18166 4721 1 8 . 1 1 65 65 GLU H H 65 8.085 8.085 8.213 -0.128 18166 4722 1 8 . 1 1 66 66 PHE N N 66 118.292 118.292 120.176 -1.884 18166 4723 1 8 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.134 -0.108 18166 4724 1 8 . 1 1 66 66 PHE CA C 66 60.989 60.989 61.886 -0.897 18166 4725 1 8 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.669 -0.386 18166 4726 1 8 . 1 1 66 66 PHE H H 66 6.812 6.812 7.780 -0.968 18166 4727 1 8 . 1 1 67 67 GLN N N 67 117.166 117.166 117.649 -0.483 18166 4728 1 8 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.024 -0.041 18166 4729 1 8 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.816 -0.138 18166 4730 1 8 . 1 1 67 67 GLN CB C 67 26.844 26.844 28.119 -1.275 18166 4731 1 8 . 1 1 67 67 GLN H H 67 8.589 8.589 8.632 -0.043 18166 4732 1 8 . 1 1 68 68 LEU N N 68 119.871 119.871 118.945 0.926 18166 4733 1 8 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.017 -0.251 18166 4734 1 8 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.713 0.762 18166 4735 1 8 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.766 -2.746 18166 4736 1 8 . 1 1 68 68 LEU H H 68 7.422 7.422 7.859 -0.437 18166 4737 1 8 . 1 1 69 69 ALA N N 69 121.380 121.380 122.288 -0.908 18166 4738 1 8 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.175 -0.042 18166 4739 1 8 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.034 0.794 18166 4740 1 8 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.534 -0.027 18166 4741 1 8 . 1 1 69 69 ALA H H 69 7.871 7.871 7.587 0.284 18166 4742 1 8 . 1 1 70 70 LEU N N 70 118.569 118.569 119.246 -0.677 18166 4743 1 8 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.944 -0.130 18166 4744 1 8 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.837 0.742 18166 4745 1 8 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.730 -0.804 18166 4746 1 8 . 1 1 70 70 LEU H H 70 8.519 8.519 8.171 0.348 18166 4747 1 8 . 1 1 71 71 LYS N N 71 119.700 119.700 117.954 1.746 18166 4748 1 8 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.967 0.010 18166 4749 1 8 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.284 -0.089 18166 4750 1 8 . 1 1 71 71 LYS H H 71 7.619 7.619 7.702 -0.083 18166 4751 1 8 . 1 1 72 72 ASP N N 72 121.506 121.506 121.259 0.247 18166 4752 1 8 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.561 0.053 18166 4753 1 8 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.594 -0.301 18166 4754 1 8 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.012 -1.030 18166 4755 1 8 . 1 1 72 72 ASP H H 72 7.460 7.460 8.145 -0.685 18166 4756 1 8 . 1 1 73 73 CYS N N 73 118.302 118.302 118.972 -0.670 18166 4757 1 8 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.089 -0.255 18166 4758 1 8 . 1 1 73 73 CYS CA C 73 64.687 64.687 62.901 1.786 18166 4759 1 8 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.868 -1.322 18166 4760 1 8 . 1 1 73 73 CYS H H 73 8.366 8.366 7.669 0.697 18166 4761 1 8 . 1 1 74 74 GLU N N 74 117.660 117.660 119.393 -1.733 18166 4762 1 8 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.103 -0.202 18166 4763 1 8 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.867 -0.654 18166 4764 1 8 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.306 -1.290 18166 4765 1 8 . 1 1 74 74 GLU H H 74 8.244 8.244 8.246 -0.002 18166 4766 1 8 . 1 1 75 75 GLU N N 75 119.807 119.807 118.679 1.128 18166 4767 1 8 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.185 -0.292 18166 4768 1 8 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.658 0.491 18166 4769 1 8 . 1 1 75 75 GLU CB C 75 26.674 26.674 30.221 -3.547 18166 4770 1 8 . 1 1 75 75 GLU H H 75 7.394 7.394 7.840 -0.446 18166 4771 1 8 . 1 1 76 76 CYS N N 76 118.342 118.342 119.779 -1.437 18166 4772 1 8 . 1 1 76 76 CYS HA H 76 3.841 3.841 4.108 -0.267 18166 4773 1 8 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.252 3.051 18166 4774 1 8 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.563 -0.192 18166 4775 1 8 . 1 1 76 76 CYS H H 76 7.852 7.852 8.480 -0.628 18166 4776 1 8 . 1 1 77 77 ILE N N 77 117.728 117.728 119.572 -1.844 18166 4777 1 8 . 1 1 77 77 ILE HA H 77 3.480 3.480 3.961 -0.481 18166 4778 1 8 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.031 0.178 18166 4779 1 8 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.789 0.760 18166 4780 1 8 . 1 1 77 77 ILE H H 77 7.897 7.897 7.925 -0.028 18166 4781 1 8 . 1 1 78 78 GLN N N 78 117.037 117.037 117.530 -0.493 18166 4782 1 8 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.163 -0.258 18166 4783 1 8 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.827 0.387 18166 4784 1 8 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.876 -0.526 18166 4785 1 8 . 1 1 78 78 GLN H H 78 7.655 7.655 7.724 -0.069 18166 4786 1 8 . 1 1 79 79 LEU N N 79 118.180 118.180 117.949 0.231 18166 4787 1 8 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.446 -0.351 18166 4788 1 8 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.053 0.462 18166 4789 1 8 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.871 1.173 18166 4790 1 8 . 1 1 79 79 LEU H H 79 8.021 8.021 7.255 0.766 18166 4791 1 8 . 1 1 80 80 GLU N N 80 117.250 117.250 117.768 -0.518 18166 4792 1 8 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.731 0.105 18166 4793 1 8 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.869 -0.327 18166 4794 1 8 . 1 1 80 80 GLU CB C 80 30.779 30.779 32.213 -1.434 18166 4795 1 8 . 1 1 80 80 GLU H H 80 8.403 8.403 8.110 0.293 18166 4796 1 8 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.701 0.165 18166 4797 1 8 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.594 0.151 18166 4798 1 8 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.194 -0.442 18166 4799 1 8 . 1 1 82 82 THR N N 82 107.443 107.443 110.694 -3.251 18166 4800 1 8 . 1 1 82 82 THR HA H 82 4.607 4.607 4.112 0.495 18166 4801 1 8 . 1 1 82 82 THR CA C 82 61.139 61.139 60.536 0.603 18166 4802 1 8 . 1 1 82 82 THR CB C 82 68.785 68.785 67.847 0.938 18166 4803 1 8 . 1 1 82 82 THR H H 82 8.129 8.129 8.170 -0.041 18166 4804 1 8 . 1 1 83 83 PHE N N 83 123.490 123.490 119.625 3.865 18166 4805 1 8 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.461 0.669 18166 4806 1 8 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.989 -1.277 18166 4807 1 8 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.937 -0.674 18166 4808 1 8 . 1 1 83 83 PHE H H 83 8.022 8.022 7.310 0.712 18166 4809 1 8 . 1 1 84 84 ILE N N 84 131.837 131.837 122.138 9.699 18166 4810 1 8 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.720 0.230 18166 4811 1 8 . 1 1 84 84 ILE CA C 84 64.230 64.230 62.843 1.387 18166 4812 1 8 . 1 1 84 84 ILE CB C 84 37.969 37.969 38.679 -0.710 18166 4813 1 8 . 1 1 84 84 ILE H H 84 8.955 8.955 8.265 0.690 18166 4814 1 8 . 1 1 85 85 LYS N N 85 115.465 115.465 120.747 -5.282 18166 4815 1 8 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.300 0.158 18166 4816 1 8 . 1 1 85 85 LYS CA C 85 56.336 56.336 56.319 0.017 18166 4817 1 8 . 1 1 85 85 LYS CB C 85 31.481 31.481 29.775 1.706 18166 4818 1 8 . 1 1 85 85 LYS H H 85 6.000 6.000 8.161 -2.161 18166 4819 1 8 . 1 1 86 86 GLY N N 86 103.958 103.958 109.722 -5.764 18166 4820 1 8 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.004 2.157 18166 4821 1 8 . 1 1 86 86 GLY H H 86 6.966 6.966 8.132 -1.166 18166 4822 1 8 . 1 1 87 87 TYR N N 87 115.851 115.851 123.292 -7.441 18166 4823 1 8 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.196 -0.256 18166 4824 1 8 . 1 1 87 87 TYR CA C 87 60.197 60.197 61.200 -1.004 18166 4825 1 8 . 1 1 87 87 TYR CB C 87 38.233 38.233 38.395 -0.162 18166 4826 1 8 . 1 1 87 87 TYR H H 87 6.814 6.814 8.101 -1.287 18166 4827 1 8 . 1 1 88 88 THR N N 88 109.840 109.840 113.830 -3.990 18166 4828 1 8 . 1 1 88 88 THR HA H 88 4.328 4.328 3.967 0.361 18166 4829 1 8 . 1 1 88 88 THR CA C 88 66.353 66.353 67.356 -1.003 18166 4830 1 8 . 1 1 88 88 THR CB C 88 66.371 66.371 68.501 -2.130 18166 4831 1 8 . 1 1 88 88 THR H H 88 8.318 8.318 8.265 0.053 18166 4832 1 8 . 1 1 89 89 ARG N N 89 121.855 121.855 120.071 1.784 18166 4833 1 8 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.329 -0.252 18166 4834 1 8 . 1 1 89 89 ARG CA C 89 59.029 59.029 58.989 0.040 18166 4835 1 8 . 1 1 89 89 ARG CB C 89 29.273 29.273 30.058 -0.785 18166 4836 1 8 . 1 1 89 89 ARG H H 89 8.320 8.320 8.543 -0.223 18166 4837 1 8 . 1 1 90 90 LYS N N 90 124.436 124.436 120.276 4.160 18166 4838 1 8 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.297 -0.368 18166 4839 1 8 . 1 1 90 90 LYS CA C 90 59.862 59.862 59.020 0.842 18166 4840 1 8 . 1 1 90 90 LYS H H 90 7.379 7.379 7.824 -0.445 18166 4841 1 8 . 1 1 91 91 ALA N N 91 121.179 121.179 121.957 -0.778 18166 4842 1 8 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.113 -0.621 18166 4843 1 8 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.001 0.052 18166 4844 1 8 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.449 -3.004 18166 4845 1 8 . 1 1 91 91 ALA H H 91 8.460 8.460 8.416 0.044 18166 4846 1 8 . 1 1 92 92 ALA N N 92 118.165 118.165 120.203 -2.038 18166 4847 1 8 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.077 0.047 18166 4848 1 8 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.515 0.352 18166 4849 1 8 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.555 -0.535 18166 4850 1 8 . 1 1 92 92 ALA H H 92 7.871 7.871 7.726 0.145 18166 4851 1 8 . 1 1 93 93 ALA N N 93 123.065 123.065 121.951 1.114 18166 4852 1 8 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.194 -0.204 18166 4853 1 8 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.678 0.659 18166 4854 1 8 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.762 -2.141 18166 4855 1 8 . 1 1 93 93 ALA H H 93 7.649 7.649 7.668 -0.019 18166 4856 1 8 . 1 1 94 94 LEU N N 94 117.762 117.762 119.545 -1.783 18166 4857 1 8 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.877 0.239 18166 4858 1 8 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.405 0.245 18166 4859 1 8 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.408 0.394 18166 4860 1 8 . 1 1 94 94 LEU H H 94 7.847 7.847 8.077 -0.230 18166 4861 1 8 . 1 1 95 95 GLU N N 95 121.139 121.139 119.551 1.588 18166 4862 1 8 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.009 -0.654 18166 4863 1 8 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.717 -0.589 18166 4864 1 8 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.585 -0.192 18166 4865 1 8 . 1 1 95 95 GLU H H 95 8.971 8.971 8.323 0.648 18166 4866 1 8 . 1 1 96 96 ALA N N 96 124.630 124.630 120.508 4.122 18166 4867 1 8 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.002 -0.051 18166 4868 1 8 . 1 1 96 96 ALA CA C 96 54.572 54.572 54.037 0.535 18166 4869 1 8 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.308 -0.949 18166 4870 1 8 . 1 1 96 96 ALA H H 96 7.890 7.890 7.601 0.289 18166 4871 1 8 . 1 1 97 97 MET N N 97 115.484 115.484 116.668 -1.184 18166 4872 1 8 . 1 1 97 97 MET HA H 97 3.714 3.714 4.427 -0.713 18166 4873 1 8 . 1 1 97 97 MET CA C 97 56.071 56.071 53.934 2.137 18166 4874 1 8 . 1 1 97 97 MET CB C 97 33.654 33.654 32.120 1.534 18166 4875 1 8 . 1 1 97 97 MET H H 97 7.155 7.155 7.446 -0.291 18166 4876 1 8 . 1 1 98 98 LYS N N 98 112.882 112.882 114.168 -1.286 18166 4877 1 8 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.256 -0.526 18166 4878 1 8 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.085 -0.333 18166 4879 1 8 . 1 1 98 98 LYS CB C 98 28.120 28.120 28.959 -0.839 18166 4880 1 8 . 1 1 98 98 LYS H H 98 7.597 7.597 7.479 0.118 18166 4881 1 8 . 1 1 99 99 ASP N N 99 120.642 120.642 120.378 0.264 18166 4882 1 8 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.742 0.095 18166 4883 1 8 . 1 1 99 99 ASP CA C 99 50.762 50.762 52.768 -2.006 18166 4884 1 8 . 1 1 99 99 ASP CB C 99 37.679 37.679 38.725 -1.046 18166 4885 1 8 . 1 1 99 99 ASP H H 99 7.888 7.888 8.012 -0.124 18166 4886 1 8 . 1 1 100 100 TYR N N 100 117.948 117.948 119.947 -1.999 18166 4887 1 8 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.176 -0.231 18166 4888 1 8 . 1 1 100 100 TYR CA C 100 61.934 61.934 61.048 0.886 18166 4889 1 8 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.026 0.613 18166 4890 1 8 . 1 1 100 100 TYR H H 100 6.984 6.984 7.030 -0.046 18166 4891 1 8 . 1 1 101 101 THR N N 101 113.752 113.752 109.456 4.296 18166 4892 1 8 . 1 1 101 101 THR HA H 101 4.008 4.008 4.028 -0.020 18166 4893 1 8 . 1 1 101 101 THR CA C 101 65.857 65.857 65.345 0.512 18166 4894 1 8 . 1 1 101 101 THR CB C 101 67.689 67.689 68.322 -0.633 18166 4895 1 8 . 1 1 101 101 THR H H 101 8.543 8.543 8.413 0.130 18166 4896 1 8 . 1 1 102 102 LYS N N 102 120.641 120.641 120.253 0.388 18166 4897 1 8 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.355 -0.213 18166 4898 1 8 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.212 1.873 18166 4899 1 8 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.970 0.209 18166 4900 1 8 . 1 1 102 102 LYS H H 102 7.348 7.348 7.638 -0.290 18166 4901 1 8 . 1 1 103 103 ALA N N 103 120.302 120.302 123.797 -3.495 18166 4902 1 8 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.055 -0.390 18166 4903 1 8 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.415 0.241 18166 4904 1 8 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.552 0.337 18166 4905 1 8 . 1 1 103 103 ALA H H 103 8.344 8.344 8.208 0.136 18166 4906 1 8 . 1 1 104 104 MET N N 104 116.430 116.430 114.957 1.473 18166 4907 1 8 . 1 1 104 104 MET HA H 104 3.939 3.939 4.362 -0.423 18166 4908 1 8 . 1 1 104 104 MET CA C 104 61.020 61.020 58.735 2.285 18166 4909 1 8 . 1 1 104 104 MET CB C 104 33.904 33.904 32.145 1.759 18166 4910 1 8 . 1 1 104 104 MET H H 104 8.375 8.375 8.219 0.156 18166 4911 1 8 . 1 1 105 105 ASP N N 105 117.449 117.449 121.460 -4.011 18166 4912 1 8 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.465 0.045 18166 4913 1 8 . 1 1 105 105 ASP CA C 105 57.113 57.113 58.257 -1.144 18166 4914 1 8 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.348 -0.139 18166 4915 1 8 . 1 1 105 105 ASP H H 105 7.319 7.319 7.943 -0.624 18166 4916 1 8 . 1 1 106 106 VAL N N 106 121.168 121.168 119.192 1.976 18166 4917 1 8 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.539 0.211 18166 4918 1 8 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.131 0.849 18166 4919 1 8 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.401 -0.640 18166 4920 1 8 . 1 1 106 106 VAL H H 106 7.825 7.825 7.347 0.478 18166 4921 1 8 . 1 1 107 107 TYR N N 107 120.714 120.714 121.474 -0.760 18166 4922 1 8 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.037 0.234 18166 4923 1 8 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.795 0.658 18166 4924 1 8 . 1 1 107 107 TYR CB C 107 38.154 38.154 38.031 0.123 18166 4925 1 8 . 1 1 107 107 TYR H H 107 9.215 9.215 8.390 0.825 18166 4926 1 8 . 1 1 108 108 GLN N N 108 117.293 117.293 118.436 -1.143 18166 4927 1 8 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.407 0.426 18166 4928 1 8 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.778 -0.076 18166 4929 1 8 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.328 -0.083 18166 4930 1 8 . 1 1 108 108 GLN H H 108 8.605 8.605 7.922 0.683 18166 4931 1 8 . 1 1 109 109 LYS N N 109 120.342 120.342 118.583 1.759 18166 4932 1 8 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.013 -0.011 18166 4933 1 8 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.520 0.017 18166 4934 1 8 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.996 -0.974 18166 4935 1 8 . 1 1 109 109 LYS H H 109 7.571 7.571 7.938 -0.367 18166 4936 1 8 . 1 1 110 110 ALA N N 110 119.851 119.851 122.272 -2.421 18166 4937 1 8 . 1 1 110 110 ALA HA H 110 3.779 3.779 4.041 -0.262 18166 4938 1 8 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.969 0.083 18166 4939 1 8 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.491 -0.803 18166 4940 1 8 . 1 1 110 110 ALA H H 110 7.693 7.693 7.793 -0.100 18166 4941 1 8 . 1 1 111 111 LEU N N 111 117.859 117.859 118.196 -0.337 18166 4942 1 8 . 1 1 111 111 LEU HA H 111 4.077 4.077 3.945 0.132 18166 4943 1 8 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.941 -0.731 18166 4944 1 8 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.746 0.063 18166 4945 1 8 . 1 1 111 111 LEU H H 111 7.811 7.811 7.887 -0.076 18166 4946 1 8 . 1 1 112 112 ASP N N 112 118.421 118.421 118.181 0.240 18166 4947 1 8 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.352 -0.101 18166 4948 1 8 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.493 -0.731 18166 4949 1 8 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.078 -1.883 18166 4950 1 8 . 1 1 112 112 ASP H H 112 8.099 8.099 7.745 0.354 18166 4951 1 8 . 1 1 113 113 LEU N N 113 120.299 120.299 118.854 1.445 18166 4952 1 8 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.152 0.005 18166 4953 1 8 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.341 0.193 18166 4954 1 8 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.536 -0.057 18166 4955 1 8 . 1 1 113 113 LEU H H 113 7.319 7.319 7.455 -0.136 18166 4956 1 8 . 1 1 114 114 ASP N N 114 118.196 118.196 114.179 4.017 18166 4957 1 8 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.743 -0.105 18166 4958 1 8 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.534 -0.346 18166 4959 1 8 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.099 -1.832 18166 4960 1 8 . 1 1 114 114 ASP H H 114 8.190 8.190 7.721 0.469 18166 4961 1 8 . 1 1 115 115 SER N N 115 121.421 121.421 117.899 3.522 18166 4962 1 8 . 1 1 115 115 SER HA H 115 4.272 4.272 4.231 0.041 18166 4963 1 8 . 1 1 115 115 SER CA C 115 60.133 60.133 60.201 -0.068 18166 4964 1 8 . 1 1 115 115 SER CB C 115 62.791 62.791 63.075 -0.284 18166 4965 1 8 . 1 1 115 115 SER H H 115 8.775 8.775 8.614 0.161 18166 4966 1 8 . 1 1 116 116 SER N N 116 116.860 116.860 117.923 -1.063 18166 4967 1 8 . 1 1 116 116 SER HA H 116 4.481 4.481 4.329 0.152 18166 4968 1 8 . 1 1 116 116 SER CA C 116 57.961 57.961 60.976 -3.015 18166 4969 1 8 . 1 1 116 116 SER CB C 116 63.960 63.960 62.815 1.145 18166 4970 1 8 . 1 1 116 116 SER H H 116 8.404 8.404 8.127 0.277 18166 4971 1 8 . 1 1 117 117 CYS N N 117 121.814 121.814 116.815 4.999 18166 4972 1 8 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.657 -0.346 18166 4973 1 8 . 1 1 117 117 CYS CA C 117 58.972 58.972 57.815 1.157 18166 4974 1 8 . 1 1 117 117 CYS CB C 117 25.866 25.866 27.603 -1.737 18166 4975 1 8 . 1 1 117 117 CYS H H 117 7.401 7.401 7.932 -0.531 18166 4976 1 8 . 1 1 118 118 LYS N N 118 105.939 105.939 122.332 -16.393 18166 4977 1 8 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.945 0.027 18166 4978 1 8 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.267 -0.400 18166 4979 1 8 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.677 0.679 18166 4980 1 8 . 1 1 118 118 LYS H H 118 8.647 8.647 8.146 0.501 18166 4981 1 8 . 1 1 119 119 GLU N N 119 117.724 117.724 118.056 -0.332 18166 4982 1 8 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.249 -0.118 18166 4983 1 8 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.038 -0.039 18166 4984 1 8 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.841 0.631 18166 4985 1 8 . 1 1 119 119 GLU H H 119 8.998 8.998 8.571 0.427 18166 4986 1 8 . 1 1 120 120 ALA N N 120 120.855 120.855 121.653 -0.798 18166 4987 1 8 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.104 0.264 18166 4988 1 8 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.648 -1.342 18166 4989 1 8 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.455 -0.342 18166 4990 1 8 . 1 1 120 120 ALA H H 120 7.494 7.494 8.159 -0.665 18166 4991 1 8 . 1 1 121 121 ALA N N 121 123.265 123.265 121.984 1.281 18166 4992 1 8 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.300 -0.305 18166 4993 1 8 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.108 -0.316 18166 4994 1 8 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.448 -0.644 18166 4995 1 8 . 1 1 121 121 ALA H H 121 7.914 7.914 7.716 0.198 18166 4996 1 8 . 1 1 122 122 ASP N N 122 118.732 118.732 118.081 0.651 18166 4997 1 8 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.363 -0.092 18166 4998 1 8 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.601 -1.359 18166 4999 1 8 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.694 -1.579 18166 5000 1 8 . 1 1 122 122 ASP H H 122 8.964 8.964 7.850 1.114 18166 5001 1 8 . 1 1 123 123 GLY N N 123 108.568 108.568 107.580 0.988 18166 5002 1 8 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.621 -0.007 18166 5003 1 8 . 1 1 123 123 GLY H H 123 7.572 7.572 8.019 -0.447 18166 5004 1 8 . 1 1 124 124 TYR N N 124 122.944 122.944 123.199 -0.255 18166 5005 1 8 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.950 -0.336 18166 5006 1 8 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.281 2.903 18166 5007 1 8 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.574 0.323 18166 5008 1 8 . 1 1 124 124 TYR H H 124 8.162 8.162 7.980 0.182 18166 5009 1 8 . 1 1 125 125 GLN N N 125 115.988 115.988 117.544 -1.556 18166 5010 1 8 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.565 0.310 18166 5011 1 8 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.845 -0.225 18166 5012 1 8 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.741 0.397 18166 5013 1 8 . 1 1 125 125 GLN H H 125 7.510 7.510 7.759 -0.249 18166 5014 1 8 . 1 1 126 126 ARG N N 126 118.626 118.626 119.635 -1.009 18166 5015 1 8 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.026 -0.093 18166 5016 1 8 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.702 1.115 18166 5017 1 8 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.591 1.501 18166 5018 1 8 . 1 1 126 126 ARG H H 126 8.139 8.139 7.672 0.467 18166 5019 1 8 . 1 1 127 127 CYS N N 127 116.985 116.985 117.554 -0.569 18166 5020 1 8 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.063 -0.174 18166 5021 1 8 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.747 1.216 18166 5022 1 8 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.184 0.582 18166 5023 1 8 . 1 1 127 127 CYS H H 127 8.097 8.097 7.356 0.741 18166 5024 1 8 . 1 1 128 128 MET N N 128 120.493 120.493 118.252 2.241 18166 5025 1 8 . 1 1 128 128 MET HA H 128 3.989 3.989 3.810 0.179 18166 5026 1 8 . 1 1 128 128 MET CA C 128 58.420 58.420 58.411 0.009 18166 5027 1 8 . 1 1 128 128 MET CB C 128 31.539 31.539 31.766 -0.227 18166 5028 1 8 . 1 1 128 128 MET H H 128 8.163 8.163 7.825 0.338 18166 5029 1 8 . 1 1 129 129 MET N N 129 115.583 115.583 115.804 -0.221 18166 5030 1 8 . 1 1 129 129 MET HA H 129 4.211 4.211 4.235 -0.024 18166 5031 1 8 . 1 1 129 129 MET CA C 129 56.677 56.677 57.484 -0.807 18166 5032 1 8 . 1 1 129 129 MET CB C 129 31.951 31.951 32.601 -0.650 18166 5033 1 8 . 1 1 129 129 MET H H 129 7.723 7.723 7.274 0.449 18166 5034 1 8 . 1 1 130 130 ALA N N 130 121.061 121.061 119.713 1.348 18166 5035 1 8 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.795 0.113 18166 5036 1 8 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.108 -1.028 18166 5037 1 8 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.173 -1.669 18166 5038 1 8 . 1 1 130 130 ALA H H 130 7.458 7.458 7.371 0.087 18166 5039 1 8 . 1 1 131 131 GLN N N 131 114.560 114.560 116.167 -1.607 18166 5040 1 8 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.130 -0.124 18166 5041 1 8 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.873 -1.071 18166 5042 1 8 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.039 0.066 18166 5043 1 8 . 1 1 131 131 GLN H H 131 7.214 7.214 7.265 -0.051 18166 5044 1 8 . 1 1 132 132 TYR N N 132 117.856 117.856 117.922 -0.066 18166 5045 1 8 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.653 -0.011 18166 5046 1 8 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.492 2.066 18166 5047 1 8 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.540 1.772 18166 5048 1 8 . 1 1 132 132 TYR H H 132 7.545 7.545 7.358 0.187 18166 5049 1 9 . 1 1 2 2 GLY N N 2 109.986 109.986 110.753 -0.767 18166 5050 1 9 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.271 -0.461 18166 5051 1 9 . 1 1 2 2 GLY H H 2 8.520 8.520 8.586 -0.066 18166 5052 1 9 . 1 1 3 3 HIS N N 3 117.442 117.442 116.813 0.629 18166 5053 1 9 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.234 0.386 18166 5054 1 9 . 1 1 3 3 HIS CB C 3 28.428 28.428 28.224 0.204 18166 5055 1 9 . 1 1 3 3 HIS H H 3 8.406 8.406 8.612 -0.206 18166 5056 1 9 . 1 1 4 4 HIS N N 4 118.932 118.932 118.156 0.776 18166 5057 1 9 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.489 0.139 18166 5058 1 9 . 1 1 4 4 HIS CA C 4 54.907 54.907 57.109 -2.202 18166 5059 1 9 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.189 -1.991 18166 5060 1 9 . 1 1 4 4 HIS H H 4 8.552 8.552 8.409 0.143 18166 5061 1 9 . 1 1 5 5 HIS N N 5 119.580 119.580 119.515 0.065 18166 5062 1 9 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.617 0.031 18166 5063 1 9 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.607 -0.474 18166 5064 1 9 . 1 1 5 5 HIS CB C 5 28.761 28.761 29.441 -0.680 18166 5065 1 9 . 1 1 5 5 HIS H H 5 8.615 8.615 7.854 0.760 18166 5066 1 9 . 1 1 6 6 HIS N N 6 121.369 121.369 122.940 -1.571 18166 5067 1 9 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.931 -0.283 18166 5068 1 9 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.908 -0.959 18166 5069 1 9 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.571 -1.471 18166 5070 1 9 . 1 1 6 6 HIS H H 6 8.732 8.732 8.762 -0.030 18166 5071 1 9 . 1 1 7 7 HIS N N 7 120.276 120.276 121.222 -0.946 18166 5072 1 9 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.696 -0.054 18166 5073 1 9 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.983 -0.836 18166 5074 1 9 . 1 1 7 7 HIS CB C 7 28.825 28.825 31.296 -2.471 18166 5075 1 9 . 1 1 7 7 HIS H H 7 8.708 8.708 8.745 -0.037 18166 5076 1 9 . 1 1 8 8 HIS N N 8 120.007 120.007 119.528 0.479 18166 5077 1 9 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.942 -0.246 18166 5078 1 9 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.920 -1.059 18166 5079 1 9 . 1 1 8 8 HIS CB C 8 28.696 28.696 31.000 -2.304 18166 5080 1 9 . 1 1 8 8 HIS H H 8 8.708 8.708 8.516 0.192 18166 5081 1 9 . 1 1 9 9 SER N N 9 117.977 117.977 116.695 1.282 18166 5082 1 9 . 1 1 9 9 SER HA H 9 4.404 4.404 4.724 -0.320 18166 5083 1 9 . 1 1 9 9 SER CA C 9 57.718 57.718 58.297 -0.579 18166 5084 1 9 . 1 1 9 9 SER CB C 9 63.246 63.246 64.142 -0.896 18166 5085 1 9 . 1 1 9 9 SER H H 9 8.535 8.535 8.514 0.021 18166 5086 1 9 . 1 1 10 10 HIS N N 10 120.441 120.441 119.190 1.251 18166 5087 1 9 . 1 1 10 10 HIS HA H 10 4.695 4.695 5.092 -0.397 18166 5088 1 9 . 1 1 10 10 HIS H H 10 8.744 8.744 8.190 0.554 18166 5089 1 9 . 1 1 11 11 MET N N 11 122.004 122.004 116.963 5.041 18166 5090 1 9 . 1 1 11 11 MET HA H 11 4.427 4.427 4.206 0.221 18166 5091 1 9 . 1 1 11 11 MET CA C 11 54.665 54.665 57.579 -2.914 18166 5092 1 9 . 1 1 11 11 MET CB C 11 32.913 32.913 32.697 0.215 18166 5093 1 9 . 1 1 11 11 MET H H 11 8.443 8.443 8.483 -0.040 18166 5094 1 9 . 1 1 12 12 ASN N N 12 121.852 121.852 118.386 3.466 18166 5095 1 9 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.036 -0.099 18166 5096 1 9 . 1 1 12 12 ASN CA C 12 51.380 51.380 50.398 0.982 18166 5097 1 9 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.408 -0.095 18166 5098 1 9 . 1 1 12 12 ASN H H 12 8.631 8.631 8.124 0.507 18166 5099 1 9 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.093 0.267 18166 5100 1 9 . 1 1 13 13 PRO CA C 13 63.149 63.149 63.885 -0.736 18166 5101 1 9 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.193 -0.441 18166 5102 1 9 . 1 1 14 14 ASP N N 14 119.643 119.643 114.897 4.746 18166 5103 1 9 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.629 -0.086 18166 5104 1 9 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.658 0.370 18166 5105 1 9 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.989 -2.227 18166 5106 1 9 . 1 1 14 14 ASP H H 14 8.344 8.344 7.717 0.627 18166 5107 1 9 . 1 1 15 15 LEU N N 15 123.333 123.333 126.004 -2.671 18166 5108 1 9 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.155 -0.006 18166 5109 1 9 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.790 -1.347 18166 5110 1 9 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.960 -0.584 18166 5111 1 9 . 1 1 15 15 LEU H H 15 8.119 8.119 8.681 -0.562 18166 5112 1 9 . 1 1 16 16 ALA N N 16 121.879 121.879 120.751 1.128 18166 5113 1 9 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.092 0.022 18166 5114 1 9 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.333 -0.963 18166 5115 1 9 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.743 -0.695 18166 5116 1 9 . 1 1 16 16 ALA H H 16 8.212 8.212 7.878 0.334 18166 5117 1 9 . 1 1 17 17 LEU N N 17 118.990 118.990 115.237 3.753 18166 5118 1 9 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.388 -0.249 18166 5119 1 9 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.078 -0.969 18166 5120 1 9 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.910 -0.534 18166 5121 1 9 . 1 1 17 17 LEU H H 17 7.719 7.719 7.553 0.166 18166 5122 1 9 . 1 1 18 18 MET N N 18 118.534 118.534 118.415 0.119 18166 5123 1 9 . 1 1 18 18 MET HA H 18 4.274 4.274 4.261 0.013 18166 5124 1 9 . 1 1 18 18 MET CA C 18 56.497 56.497 57.053 -0.556 18166 5125 1 9 . 1 1 18 18 MET CB C 18 31.787 31.787 31.316 0.471 18166 5126 1 9 . 1 1 18 18 MET H H 18 7.996 7.996 7.733 0.263 18166 5127 1 9 . 1 1 19 19 VAL N N 19 119.243 119.243 118.870 0.373 18166 5128 1 9 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.771 0.062 18166 5129 1 9 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.537 -1.803 18166 5130 1 9 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.632 0.024 18166 5131 1 9 . 1 1 19 19 VAL H H 19 7.915 7.915 7.622 0.293 18166 5132 1 9 . 1 1 20 20 LYS N N 20 123.321 123.321 118.549 4.772 18166 5133 1 9 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.159 -0.182 18166 5134 1 9 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.152 -0.809 18166 5135 1 9 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.752 0.244 18166 5136 1 9 . 1 1 20 20 LYS H H 20 8.139 8.139 7.721 0.418 18166 5137 1 9 . 1 1 21 21 ASN N N 21 118.732 118.732 119.621 -0.889 18166 5138 1 9 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.490 0.088 18166 5139 1 9 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.174 -1.934 18166 5140 1 9 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.177 -0.438 18166 5141 1 9 . 1 1 21 21 ASN H H 21 8.349 8.349 7.839 0.510 18166 5142 1 9 . 1 1 22 22 LYS N N 22 121.941 121.941 119.562 2.379 18166 5143 1 9 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.359 -0.335 18166 5144 1 9 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.788 -0.478 18166 5145 1 9 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.719 -0.200 18166 5146 1 9 . 1 1 22 22 LYS H H 22 8.185 8.185 7.294 0.891 18166 5147 1 9 . 1 1 23 23 GLY N N 23 107.792 107.792 108.424 -0.632 18166 5148 1 9 . 1 1 23 23 GLY CA C 23 47.766 47.766 47.168 0.598 18166 5149 1 9 . 1 1 23 23 GLY H H 23 8.336 8.336 8.331 0.005 18166 5150 1 9 . 1 1 24 24 ASN N N 24 120.049 120.049 119.782 0.267 18166 5151 1 9 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.811 -0.227 18166 5152 1 9 . 1 1 24 24 ASN CA C 24 55.201 55.201 54.916 0.285 18166 5153 1 9 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.954 -1.384 18166 5154 1 9 . 1 1 24 24 ASN H H 24 8.337 8.337 8.290 0.047 18166 5155 1 9 . 1 1 25 25 GLU N N 25 121.510 121.510 120.700 0.810 18166 5156 1 9 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.085 -0.038 18166 5157 1 9 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.215 -0.239 18166 5158 1 9 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.494 -0.390 18166 5159 1 9 . 1 1 25 25 GLU H H 25 8.366 8.366 8.194 0.172 18166 5160 1 9 . 1 1 26 26 CYS N N 26 116.512 116.512 118.338 -1.826 18166 5161 1 9 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.074 0.028 18166 5162 1 9 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.039 -0.035 18166 5163 1 9 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.497 -0.241 18166 5164 1 9 . 1 1 26 26 CYS H H 26 8.092 8.092 7.835 0.257 18166 5165 1 9 . 1 1 27 27 PHE N N 27 122.066 122.066 121.250 0.816 18166 5166 1 9 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.474 -0.722 18166 5167 1 9 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.773 0.707 18166 5168 1 9 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.940 0.962 18166 5169 1 9 . 1 1 27 27 PHE H H 27 8.756 8.756 7.763 0.993 18166 5170 1 9 . 1 1 28 28 GLN N N 28 119.430 119.430 119.395 0.035 18166 5171 1 9 . 1 1 28 28 GLN HA H 28 4.016 4.016 3.966 0.050 18166 5172 1 9 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.953 0.172 18166 5173 1 9 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.282 -0.072 18166 5174 1 9 . 1 1 28 28 GLN H H 28 8.574 8.574 7.906 0.668 18166 5175 1 9 . 1 1 29 29 LYS N N 29 116.011 116.011 117.238 -1.227 18166 5176 1 9 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.203 0.041 18166 5177 1 9 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.717 0.381 18166 5178 1 9 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.468 0.068 18166 5179 1 9 . 1 1 29 29 LYS H H 29 7.410 7.410 7.377 0.033 18166 5180 1 9 . 1 1 30 30 GLY N N 30 107.636 107.636 107.551 0.085 18166 5181 1 9 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.572 0.012 18166 5182 1 9 . 1 1 30 30 GLY H H 30 7.566 7.566 7.499 0.067 18166 5183 1 9 . 1 1 31 31 ASP N N 31 120.587 120.587 120.062 0.525 18166 5184 1 9 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.771 -0.103 18166 5185 1 9 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.338 -2.297 18166 5186 1 9 . 1 1 31 31 ASP CB C 31 38.718 38.718 42.972 -4.254 18166 5187 1 9 . 1 1 31 31 ASP H H 31 7.826 7.826 7.523 0.303 18166 5188 1 9 . 1 1 32 32 TYR N N 32 120.190 120.190 122.023 -1.833 18166 5189 1 9 . 1 1 32 32 TYR HA H 32 3.772 3.772 5.055 -1.283 18166 5190 1 9 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.053 1.201 18166 5191 1 9 . 1 1 32 32 TYR H H 32 7.313 7.313 8.723 -1.410 18166 5192 1 9 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.329 -0.109 18166 5193 1 9 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.565 0.790 18166 5194 1 9 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.654 -0.367 18166 5195 1 9 . 1 1 34 34 GLN N N 34 115.797 115.797 118.003 -2.206 18166 5196 1 9 . 1 1 34 34 GLN HA H 34 3.925 3.925 4.019 -0.094 18166 5197 1 9 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.245 -0.081 18166 5198 1 9 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.710 0.668 18166 5199 1 9 . 1 1 34 34 GLN H H 34 7.278 7.278 8.026 -0.748 18166 5200 1 9 . 1 1 35 35 ALA N N 35 121.852 121.852 122.684 -0.832 18166 5201 1 9 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.023 0.049 18166 5202 1 9 . 1 1 35 35 ALA CA C 35 55.597 55.597 55.014 0.583 18166 5203 1 9 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.232 0.313 18166 5204 1 9 . 1 1 35 35 ALA H H 35 8.376 8.376 8.380 -0.004 18166 5205 1 9 . 1 1 36 36 MET N N 36 116.867 116.867 117.691 -0.824 18166 5206 1 9 . 1 1 36 36 MET HA H 36 3.887 3.887 4.232 -0.345 18166 5207 1 9 . 1 1 36 36 MET CA C 36 59.400 59.400 58.494 0.906 18166 5208 1 9 . 1 1 36 36 MET CB C 36 30.626 30.626 32.543 -1.917 18166 5209 1 9 . 1 1 36 36 MET H H 36 8.538 8.538 7.699 0.839 18166 5210 1 9 . 1 1 37 37 LYS N N 37 122.037 122.037 119.494 2.543 18166 5211 1 9 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.005 -0.093 18166 5212 1 9 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.278 -0.053 18166 5213 1 9 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.000 0.196 18166 5214 1 9 . 1 1 37 37 LYS H H 37 7.599 7.599 7.507 0.092 18166 5215 1 9 . 1 1 38 38 HIS N N 38 117.718 117.718 118.488 -0.770 18166 5216 1 9 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.593 0.042 18166 5217 1 9 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.831 -0.831 18166 5218 1 9 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.543 -1.543 18166 5219 1 9 . 1 1 38 38 HIS H H 38 7.908 7.908 7.935 -0.027 18166 5220 1 9 . 1 1 39 39 TYR N N 39 118.987 118.987 119.157 -0.170 18166 5221 1 9 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.411 0.054 18166 5222 1 9 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.051 0.202 18166 5223 1 9 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.331 -0.540 18166 5224 1 9 . 1 1 39 39 TYR H H 39 9.156 9.156 7.654 1.502 18166 5225 1 9 . 1 1 40 40 THR N N 40 117.147 117.147 116.986 0.161 18166 5226 1 9 . 1 1 40 40 THR HA H 40 3.872 3.872 3.849 0.023 18166 5227 1 9 . 1 1 40 40 THR CA C 40 67.449 67.449 67.151 0.298 18166 5228 1 9 . 1 1 40 40 THR CB C 40 68.728 68.728 68.665 0.063 18166 5229 1 9 . 1 1 40 40 THR H H 40 8.476 8.476 7.821 0.655 18166 5230 1 9 . 1 1 41 41 GLU N N 41 122.067 122.067 120.444 1.623 18166 5231 1 9 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.053 -0.074 18166 5232 1 9 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.999 -0.254 18166 5233 1 9 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.009 -0.287 18166 5234 1 9 . 1 1 41 41 GLU H H 41 7.762 7.762 8.148 -0.386 18166 5235 1 9 . 1 1 42 42 ALA N N 42 122.040 122.040 122.073 -0.033 18166 5236 1 9 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.130 -0.161 18166 5237 1 9 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.683 0.486 18166 5238 1 9 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.657 -0.287 18166 5239 1 9 . 1 1 42 42 ALA H H 42 8.191 8.191 7.316 0.875 18166 5240 1 9 . 1 1 43 43 ILE N N 43 122.662 122.662 117.651 5.011 18166 5241 1 9 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.969 -0.653 18166 5242 1 9 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.740 0.858 18166 5243 1 9 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.792 0.695 18166 5244 1 9 . 1 1 43 43 ILE H H 43 8.427 8.427 7.759 0.668 18166 5245 1 9 . 1 1 44 44 LYS N N 44 117.349 117.349 117.393 -0.044 18166 5246 1 9 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.153 -0.212 18166 5247 1 9 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.819 0.882 18166 5248 1 9 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.906 0.085 18166 5249 1 9 . 1 1 44 44 LYS H H 44 7.473 7.473 7.667 -0.194 18166 5250 1 9 . 1 1 45 45 ARG N N 45 114.723 114.723 116.577 -1.854 18166 5251 1 9 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.371 -0.198 18166 5252 1 9 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.939 0.467 18166 5253 1 9 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.220 -0.883 18166 5254 1 9 . 1 1 45 45 ARG H H 45 7.150 7.150 7.551 -0.401 18166 5255 1 9 . 1 1 46 46 ASN N N 46 115.919 115.919 116.679 -0.760 18166 5256 1 9 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.153 -0.080 18166 5257 1 9 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.262 -0.105 18166 5258 1 9 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.665 -1.034 18166 5259 1 9 . 1 1 46 46 ASN H H 46 7.885 7.885 8.020 -0.135 18166 5260 1 9 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.551 0.181 18166 5261 1 9 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.141 0.064 18166 5262 1 9 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.249 -0.295 18166 5263 1 9 . 1 1 48 48 LYS N N 48 118.494 118.494 116.632 1.862 18166 5264 1 9 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.495 0.140 18166 5265 1 9 . 1 1 48 48 LYS CA C 48 55.000 55.000 54.966 0.034 18166 5266 1 9 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.053 -0.626 18166 5267 1 9 . 1 1 48 48 LYS H H 48 8.154 8.154 8.073 0.081 18166 5268 1 9 . 1 1 49 49 ASP N N 49 119.387 119.387 121.414 -2.027 18166 5269 1 9 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.721 -0.031 18166 5270 1 9 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.274 -0.396 18166 5271 1 9 . 1 1 49 49 ASP CB C 49 40.026 40.026 41.877 -1.851 18166 5272 1 9 . 1 1 49 49 ASP H H 49 7.317 7.317 7.472 -0.155 18166 5273 1 9 . 1 1 50 50 ALA N N 50 128.206 128.206 129.536 -1.330 18166 5274 1 9 . 1 1 50 50 ALA HA H 50 4.041 4.041 3.965 0.076 18166 5275 1 9 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.252 0.312 18166 5276 1 9 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.434 1.656 18166 5277 1 9 . 1 1 50 50 ALA H H 50 8.466 8.466 8.248 0.218 18166 5278 1 9 . 1 1 51 51 LYS N N 51 113.628 113.628 116.834 -3.206 18166 5279 1 9 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.219 -0.342 18166 5280 1 9 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.403 0.911 18166 5281 1 9 . 1 1 51 51 LYS CB C 51 31.320 31.320 30.953 0.367 18166 5282 1 9 . 1 1 51 51 LYS H H 51 7.985 7.985 8.119 -0.134 18166 5283 1 9 . 1 1 52 52 LEU N N 52 117.207 117.207 120.312 -3.105 18166 5284 1 9 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.879 -0.207 18166 5285 1 9 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.775 -0.497 18166 5286 1 9 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.824 1.268 18166 5287 1 9 . 1 1 52 52 LEU H H 52 7.323 7.323 7.575 -0.252 18166 5288 1 9 . 1 1 53 53 TYR N N 53 116.167 116.167 117.138 -0.971 18166 5289 1 9 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.161 -0.283 18166 5290 1 9 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.036 0.537 18166 5291 1 9 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.812 0.335 18166 5292 1 9 . 1 1 53 53 TYR H H 53 6.955 6.955 7.631 -0.676 18166 5293 1 9 . 1 1 54 54 SER N N 54 112.799 112.799 113.690 -0.891 18166 5294 1 9 . 1 1 54 54 SER HA H 54 3.976 3.976 4.347 -0.371 18166 5295 1 9 . 1 1 54 54 SER CA C 54 61.200 61.200 60.061 1.139 18166 5296 1 9 . 1 1 54 54 SER CB C 54 62.184 62.184 62.816 -0.632 18166 5297 1 9 . 1 1 54 54 SER H H 54 7.661 7.661 7.832 -0.171 18166 5298 1 9 . 1 1 55 55 ASN N N 55 119.126 119.126 120.560 -1.434 18166 5299 1 9 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.251 -0.152 18166 5300 1 9 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.203 0.038 18166 5301 1 9 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.750 -1.473 18166 5302 1 9 . 1 1 55 55 ASN H H 55 7.729 7.729 7.969 -0.240 18166 5303 1 9 . 1 1 56 56 ARG N N 56 122.589 122.589 118.173 4.416 18166 5304 1 9 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.948 0.185 18166 5305 1 9 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.410 3.151 18166 5306 1 9 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.526 -0.457 18166 5307 1 9 . 1 1 56 56 ARG H H 56 8.329 8.329 7.291 1.038 18166 5308 1 9 . 1 1 57 57 ALA N N 57 122.569 122.569 122.326 0.243 18166 5309 1 9 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.369 -0.109 18166 5310 1 9 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.763 1.312 18166 5311 1 9 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.341 1.548 18166 5312 1 9 . 1 1 57 57 ALA H H 57 8.857 8.857 7.847 1.010 18166 5313 1 9 . 1 1 58 58 ALA N N 58 120.015 120.015 120.647 -0.632 18166 5314 1 9 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.177 -0.094 18166 5315 1 9 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.261 0.789 18166 5316 1 9 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.016 -0.192 18166 5317 1 9 . 1 1 58 58 ALA H H 58 7.574 7.574 7.622 -0.048 18166 5318 1 9 . 1 1 59 59 CYS N N 59 117.074 117.074 117.109 -0.035 18166 5319 1 9 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.334 -0.272 18166 5320 1 9 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.958 1.287 18166 5321 1 9 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.338 0.489 18166 5322 1 9 . 1 1 59 59 CYS H H 59 7.523 7.523 7.228 0.295 18166 5323 1 9 . 1 1 60 60 TYR N N 60 118.554 118.554 120.100 -1.546 18166 5324 1 9 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.260 0.027 18166 5325 1 9 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.053 0.851 18166 5326 1 9 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.463 0.814 18166 5327 1 9 . 1 1 60 60 TYR H H 60 8.684 8.684 7.982 0.702 18166 5328 1 9 . 1 1 61 61 THR N N 61 116.951 116.951 111.817 5.134 18166 5329 1 9 . 1 1 61 61 THR HA H 61 4.264 4.264 2.801 1.463 18166 5330 1 9 . 1 1 61 61 THR CA C 61 67.645 67.645 65.540 2.105 18166 5331 1 9 . 1 1 61 61 THR CB C 61 67.784 67.784 67.937 -0.153 18166 5332 1 9 . 1 1 61 61 THR H H 61 8.572 8.572 8.238 0.334 18166 5333 1 9 . 1 1 62 62 LYS N N 62 122.578 122.578 121.700 0.878 18166 5334 1 9 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.178 -0.254 18166 5335 1 9 . 1 1 62 62 LYS CA C 62 57.206 57.206 57.704 -0.498 18166 5336 1 9 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.252 -1.458 18166 5337 1 9 . 1 1 62 62 LYS H H 62 7.410 7.410 7.804 -0.394 18166 5338 1 9 . 1 1 63 63 LEU N N 63 117.404 117.404 117.703 -0.299 18166 5339 1 9 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.346 -0.130 18166 5340 1 9 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.636 -0.591 18166 5341 1 9 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.548 -0.905 18166 5342 1 9 . 1 1 63 63 LEU H H 63 7.397 7.397 7.774 -0.377 18166 5343 1 9 . 1 1 64 64 LEU N N 64 113.668 113.668 115.230 -1.562 18166 5344 1 9 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.291 -1.321 18166 5345 1 9 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.521 -1.703 18166 5346 1 9 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.083 -1.832 18166 5347 1 9 . 1 1 64 64 LEU H H 64 7.457 7.457 7.761 -0.304 18166 5348 1 9 . 1 1 65 65 GLU N N 65 120.636 120.636 119.934 0.702 18166 5349 1 9 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.486 -0.083 18166 5350 1 9 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.031 -1.801 18166 5351 1 9 . 1 1 65 65 GLU CB C 65 27.090 27.090 28.204 -1.114 18166 5352 1 9 . 1 1 65 65 GLU H H 65 8.085 8.085 8.214 -0.129 18166 5353 1 9 . 1 1 66 66 PHE N N 66 118.292 118.292 120.097 -1.805 18166 5354 1 9 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.088 -0.062 18166 5355 1 9 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.366 -1.377 18166 5356 1 9 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.836 -0.553 18166 5357 1 9 . 1 1 66 66 PHE H H 66 6.812 6.812 7.746 -0.934 18166 5358 1 9 . 1 1 67 67 GLN N N 67 117.166 117.166 117.462 -0.296 18166 5359 1 9 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.035 -0.052 18166 5360 1 9 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.767 -0.089 18166 5361 1 9 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.872 -1.028 18166 5362 1 9 . 1 1 67 67 GLN H H 67 8.589 8.589 8.599 -0.010 18166 5363 1 9 . 1 1 68 68 LEU N N 68 119.871 119.871 119.390 0.481 18166 5364 1 9 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.984 -0.218 18166 5365 1 9 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.890 0.585 18166 5366 1 9 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.915 -2.895 18166 5367 1 9 . 1 1 68 68 LEU H H 68 7.422 7.422 7.907 -0.485 18166 5368 1 9 . 1 1 69 69 ALA N N 69 121.380 121.380 122.128 -0.748 18166 5369 1 9 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.187 -0.054 18166 5370 1 9 . 1 1 69 69 ALA CA C 69 55.828 55.828 54.992 0.835 18166 5371 1 9 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.418 0.089 18166 5372 1 9 . 1 1 69 69 ALA H H 69 7.871 7.871 7.543 0.328 18166 5373 1 9 . 1 1 70 70 LEU N N 70 118.569 118.569 118.963 -0.394 18166 5374 1 9 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.965 -0.151 18166 5375 1 9 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.873 0.706 18166 5376 1 9 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.813 -0.887 18166 5377 1 9 . 1 1 70 70 LEU H H 70 8.519 8.519 8.271 0.248 18166 5378 1 9 . 1 1 71 71 LYS N N 71 119.700 119.700 118.141 1.559 18166 5379 1 9 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.918 0.059 18166 5380 1 9 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.265 -0.070 18166 5381 1 9 . 1 1 71 71 LYS H H 71 7.619 7.619 7.500 0.119 18166 5382 1 9 . 1 1 72 72 ASP N N 72 121.506 121.506 120.930 0.576 18166 5383 1 9 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.453 0.161 18166 5384 1 9 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.361 -0.068 18166 5385 1 9 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.721 -0.739 18166 5386 1 9 . 1 1 72 72 ASP H H 72 7.460 7.460 8.444 -0.984 18166 5387 1 9 . 1 1 73 73 CYS N N 73 118.302 118.302 118.407 -0.105 18166 5388 1 9 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.709 -0.875 18166 5389 1 9 . 1 1 73 73 CYS CA C 73 64.687 64.687 60.296 4.391 18166 5390 1 9 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.298 -0.752 18166 5391 1 9 . 1 1 73 73 CYS H H 73 8.366 8.366 7.732 0.634 18166 5392 1 9 . 1 1 74 74 GLU N N 74 117.660 117.660 120.096 -2.436 18166 5393 1 9 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.111 -0.210 18166 5394 1 9 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.947 -0.734 18166 5395 1 9 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.422 -1.406 18166 5396 1 9 . 1 1 74 74 GLU H H 74 8.244 8.244 8.093 0.151 18166 5397 1 9 . 1 1 75 75 GLU N N 75 119.807 119.807 118.362 1.445 18166 5398 1 9 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.182 -0.289 18166 5399 1 9 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.316 -0.167 18166 5400 1 9 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.859 -3.185 18166 5401 1 9 . 1 1 75 75 GLU H H 75 7.394 7.394 8.038 -0.644 18166 5402 1 9 . 1 1 76 76 CYS N N 76 118.342 118.342 116.388 1.954 18166 5403 1 9 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.970 -0.129 18166 5404 1 9 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.330 2.974 18166 5405 1 9 . 1 1 76 76 CYS CB C 76 26.371 26.371 27.894 -1.523 18166 5406 1 9 . 1 1 76 76 CYS H H 76 7.852 7.852 7.762 0.090 18166 5407 1 9 . 1 1 77 77 ILE N N 77 117.728 117.728 121.674 -3.946 18166 5408 1 9 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.268 -0.788 18166 5409 1 9 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.760 0.449 18166 5410 1 9 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.870 0.679 18166 5411 1 9 . 1 1 77 77 ILE H H 77 7.897 7.897 7.568 0.329 18166 5412 1 9 . 1 1 78 78 GLN N N 78 117.037 117.037 117.200 -0.163 18166 5413 1 9 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.151 -0.246 18166 5414 1 9 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.652 0.562 18166 5415 1 9 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.824 -0.474 18166 5416 1 9 . 1 1 78 78 GLN H H 78 7.655 7.655 7.708 -0.053 18166 5417 1 9 . 1 1 79 79 LEU N N 79 118.180 118.180 118.174 0.006 18166 5418 1 9 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.279 -0.184 18166 5419 1 9 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.199 0.316 18166 5420 1 9 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.277 0.767 18166 5421 1 9 . 1 1 79 79 LEU H H 79 8.021 8.021 7.369 0.652 18166 5422 1 9 . 1 1 80 80 GLU N N 80 117.250 117.250 117.548 -0.298 18166 5423 1 9 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.656 0.180 18166 5424 1 9 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.352 0.190 18166 5425 1 9 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.332 -0.554 18166 5426 1 9 . 1 1 80 80 GLU H H 80 8.403 8.403 7.632 0.771 18166 5427 1 9 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.827 0.039 18166 5428 1 9 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.754 -0.009 18166 5429 1 9 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.697 -0.945 18166 5430 1 9 . 1 1 82 82 THR N N 82 107.443 107.443 111.499 -4.056 18166 5431 1 9 . 1 1 82 82 THR HA H 82 4.607 4.607 4.292 0.315 18166 5432 1 9 . 1 1 82 82 THR CA C 82 61.139 61.139 60.785 0.354 18166 5433 1 9 . 1 1 82 82 THR CB C 82 68.785 68.785 68.563 0.222 18166 5434 1 9 . 1 1 82 82 THR H H 82 8.129 8.129 8.107 0.022 18166 5435 1 9 . 1 1 83 83 PHE N N 83 123.490 123.490 120.153 3.337 18166 5436 1 9 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.605 0.525 18166 5437 1 9 . 1 1 83 83 PHE CA C 83 55.712 55.712 55.862 -0.150 18166 5438 1 9 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.675 -0.412 18166 5439 1 9 . 1 1 83 83 PHE H H 83 8.022 8.022 7.726 0.296 18166 5440 1 9 . 1 1 84 84 ILE N N 84 131.837 131.837 125.031 6.806 18166 5441 1 9 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.581 0.369 18166 5442 1 9 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.028 0.202 18166 5443 1 9 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.924 0.045 18166 5444 1 9 . 1 1 84 84 ILE H H 84 8.955 8.955 8.514 0.441 18166 5445 1 9 . 1 1 85 85 LYS N N 85 115.465 115.465 120.560 -5.095 18166 5446 1 9 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.149 0.309 18166 5447 1 9 . 1 1 85 85 LYS CA C 85 56.336 56.336 59.245 -2.909 18166 5448 1 9 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.609 -0.128 18166 5449 1 9 . 1 1 85 85 LYS H H 85 6.000 6.000 8.552 -2.552 18166 5450 1 9 . 1 1 86 86 GLY N N 86 103.958 103.958 106.412 -2.454 18166 5451 1 9 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.798 1.363 18166 5452 1 9 . 1 1 86 86 GLY H H 86 6.966 6.966 8.429 -1.463 18166 5453 1 9 . 1 1 87 87 TYR N N 87 115.851 115.851 121.098 -5.247 18166 5454 1 9 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.089 -0.149 18166 5455 1 9 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.528 -0.331 18166 5456 1 9 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.812 0.421 18166 5457 1 9 . 1 1 87 87 TYR H H 87 6.814 6.814 7.386 -0.572 18166 5458 1 9 . 1 1 88 88 THR N N 88 109.840 109.840 112.972 -3.132 18166 5459 1 9 . 1 1 88 88 THR HA H 88 4.328 4.328 4.136 0.192 18166 5460 1 9 . 1 1 88 88 THR CA C 88 66.353 66.353 65.806 0.547 18166 5461 1 9 . 1 1 88 88 THR CB C 88 66.371 66.371 68.475 -2.104 18166 5462 1 9 . 1 1 88 88 THR H H 88 8.318 8.318 7.723 0.595 18166 5463 1 9 . 1 1 89 89 ARG N N 89 121.855 121.855 119.213 2.642 18166 5464 1 9 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.298 -0.221 18166 5465 1 9 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.696 1.333 18166 5466 1 9 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.537 -0.264 18166 5467 1 9 . 1 1 89 89 ARG H H 89 8.320 8.320 7.571 0.749 18166 5468 1 9 . 1 1 90 90 LYS N N 90 124.436 124.436 121.041 3.395 18166 5469 1 9 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.060 -0.131 18166 5470 1 9 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.535 1.327 18166 5471 1 9 . 1 1 90 90 LYS H H 90 7.379 7.379 8.337 -0.958 18166 5472 1 9 . 1 1 91 91 ALA N N 91 121.179 121.179 120.502 0.677 18166 5473 1 9 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.902 -0.410 18166 5474 1 9 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.767 0.286 18166 5475 1 9 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.662 -2.217 18166 5476 1 9 . 1 1 91 91 ALA H H 91 8.460 8.460 7.741 0.719 18166 5477 1 9 . 1 1 92 92 ALA N N 92 118.165 118.165 121.069 -2.904 18166 5478 1 9 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.271 -0.147 18166 5479 1 9 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.771 0.096 18166 5480 1 9 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.593 -0.573 18166 5481 1 9 . 1 1 92 92 ALA H H 92 7.871 7.871 7.681 0.190 18166 5482 1 9 . 1 1 93 93 ALA N N 93 123.065 123.065 121.552 1.513 18166 5483 1 9 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.459 -0.469 18166 5484 1 9 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.729 0.608 18166 5485 1 9 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.582 -1.961 18166 5486 1 9 . 1 1 93 93 ALA H H 93 7.649 7.649 7.692 -0.043 18166 5487 1 9 . 1 1 94 94 LEU N N 94 117.762 117.762 119.957 -2.195 18166 5488 1 9 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.862 0.254 18166 5489 1 9 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.460 0.190 18166 5490 1 9 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.383 0.419 18166 5491 1 9 . 1 1 94 94 LEU H H 94 7.847 7.847 8.074 -0.227 18166 5492 1 9 . 1 1 95 95 GLU N N 95 121.139 121.139 119.307 1.832 18166 5493 1 9 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.150 -0.795 18166 5494 1 9 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.596 -0.468 18166 5495 1 9 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.662 -0.269 18166 5496 1 9 . 1 1 95 95 GLU H H 95 8.971 8.971 8.315 0.656 18166 5497 1 9 . 1 1 96 96 ALA N N 96 124.630 124.630 119.790 4.840 18166 5498 1 9 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.133 -0.182 18166 5499 1 9 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.795 0.777 18166 5500 1 9 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.459 -1.100 18166 5501 1 9 . 1 1 96 96 ALA H H 96 7.890 7.890 7.756 0.134 18166 5502 1 9 . 1 1 97 97 MET N N 97 115.484 115.484 116.672 -1.188 18166 5503 1 9 . 1 1 97 97 MET HA H 97 3.714 3.714 4.413 -0.699 18166 5504 1 9 . 1 1 97 97 MET CA C 97 56.071 56.071 53.870 2.201 18166 5505 1 9 . 1 1 97 97 MET CB C 97 33.654 33.654 32.368 1.286 18166 5506 1 9 . 1 1 97 97 MET H H 97 7.155 7.155 7.418 -0.263 18166 5507 1 9 . 1 1 98 98 LYS N N 98 112.882 112.882 114.559 -1.677 18166 5508 1 9 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.153 -0.423 18166 5509 1 9 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.325 -0.573 18166 5510 1 9 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.202 -1.082 18166 5511 1 9 . 1 1 98 98 LYS H H 98 7.597 7.597 7.441 0.156 18166 5512 1 9 . 1 1 99 99 ASP N N 99 120.642 120.642 120.572 0.070 18166 5513 1 9 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.716 0.121 18166 5514 1 9 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.257 -2.495 18166 5515 1 9 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.037 -1.358 18166 5516 1 9 . 1 1 99 99 ASP H H 99 7.888 7.888 7.937 -0.049 18166 5517 1 9 . 1 1 100 100 TYR N N 100 117.948 117.948 119.488 -1.540 18166 5518 1 9 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.135 -0.190 18166 5519 1 9 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.750 1.184 18166 5520 1 9 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.258 0.381 18166 5521 1 9 . 1 1 100 100 TYR H H 100 6.984 6.984 7.109 -0.125 18166 5522 1 9 . 1 1 101 101 THR N N 101 113.752 113.752 109.315 4.437 18166 5523 1 9 . 1 1 101 101 THR HA H 101 4.008 4.008 4.090 -0.082 18166 5524 1 9 . 1 1 101 101 THR CA C 101 65.857 65.857 65.305 0.552 18166 5525 1 9 . 1 1 101 101 THR CB C 101 67.689 67.689 68.232 -0.543 18166 5526 1 9 . 1 1 101 101 THR H H 101 8.543 8.543 8.439 0.104 18166 5527 1 9 . 1 1 102 102 LYS N N 102 120.641 120.641 121.221 -0.580 18166 5528 1 9 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.511 -0.369 18166 5529 1 9 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.540 1.546 18166 5530 1 9 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.980 0.199 18166 5531 1 9 . 1 1 102 102 LYS H H 102 7.348 7.348 7.673 -0.325 18166 5532 1 9 . 1 1 103 103 ALA N N 103 120.302 120.302 123.578 -3.276 18166 5533 1 9 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.850 -0.185 18166 5534 1 9 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.351 0.305 18166 5535 1 9 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.499 0.390 18166 5536 1 9 . 1 1 103 103 ALA H H 103 8.344 8.344 8.293 0.051 18166 5537 1 9 . 1 1 104 104 MET N N 104 116.430 116.430 114.683 1.747 18166 5538 1 9 . 1 1 104 104 MET HA H 104 3.939 3.939 4.537 -0.598 18166 5539 1 9 . 1 1 104 104 MET CA C 104 61.020 61.020 59.215 1.805 18166 5540 1 9 . 1 1 104 104 MET CB C 104 33.904 33.904 32.391 1.513 18166 5541 1 9 . 1 1 104 104 MET H H 104 8.375 8.375 8.305 0.070 18166 5542 1 9 . 1 1 105 105 ASP N N 105 117.449 117.449 120.652 -3.203 18166 5543 1 9 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.518 -0.008 18166 5544 1 9 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.392 -0.279 18166 5545 1 9 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.320 -0.111 18166 5546 1 9 . 1 1 105 105 ASP H H 105 7.319 7.319 8.017 -0.698 18166 5547 1 9 . 1 1 106 106 VAL N N 106 121.168 121.168 120.156 1.012 18166 5548 1 9 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.757 -0.007 18166 5549 1 9 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.388 0.592 18166 5550 1 9 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.257 -0.496 18166 5551 1 9 . 1 1 106 106 VAL H H 106 7.825 7.825 7.541 0.284 18166 5552 1 9 . 1 1 107 107 TYR N N 107 120.714 120.714 119.596 1.118 18166 5553 1 9 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.266 0.005 18166 5554 1 9 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.325 1.128 18166 5555 1 9 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.329 0.825 18166 5556 1 9 . 1 1 107 107 TYR H H 107 9.215 9.215 8.495 0.720 18166 5557 1 9 . 1 1 108 108 GLN N N 108 117.293 117.293 118.785 -1.492 18166 5558 1 9 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.955 -0.122 18166 5559 1 9 . 1 1 108 108 GLN CA C 108 58.702 58.702 59.006 -0.304 18166 5560 1 9 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.388 -0.143 18166 5561 1 9 . 1 1 108 108 GLN H H 108 8.605 8.605 8.086 0.519 18166 5562 1 9 . 1 1 109 109 LYS N N 109 120.342 120.342 118.591 1.751 18166 5563 1 9 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.090 -0.088 18166 5564 1 9 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.388 0.149 18166 5565 1 9 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.071 -1.049 18166 5566 1 9 . 1 1 109 109 LYS H H 109 7.571 7.571 7.995 -0.424 18166 5567 1 9 . 1 1 110 110 ALA N N 110 119.851 119.851 122.491 -2.640 18166 5568 1 9 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.855 -0.076 18166 5569 1 9 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.094 -0.042 18166 5570 1 9 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.389 -0.701 18166 5571 1 9 . 1 1 110 110 ALA H H 110 7.693 7.693 7.932 -0.239 18166 5572 1 9 . 1 1 111 111 LEU N N 111 117.859 117.859 117.258 0.601 18166 5573 1 9 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.202 -0.125 18166 5574 1 9 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.859 -0.649 18166 5575 1 9 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.968 -0.159 18166 5576 1 9 . 1 1 111 111 LEU H H 111 7.811 7.811 8.061 -0.250 18166 5577 1 9 . 1 1 112 112 ASP N N 112 118.421 118.421 117.928 0.493 18166 5578 1 9 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.438 -0.187 18166 5579 1 9 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.342 -0.580 18166 5580 1 9 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.188 -1.993 18166 5581 1 9 . 1 1 112 112 ASP H H 112 8.099 8.099 7.776 0.323 18166 5582 1 9 . 1 1 113 113 LEU N N 113 120.299 120.299 119.180 1.119 18166 5583 1 9 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.091 0.066 18166 5584 1 9 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.617 -0.083 18166 5585 1 9 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.415 0.064 18166 5586 1 9 . 1 1 113 113 LEU H H 113 7.319 7.319 7.499 -0.180 18166 5587 1 9 . 1 1 114 114 ASP N N 114 118.196 118.196 113.294 4.902 18166 5588 1 9 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.780 -0.142 18166 5589 1 9 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.614 -0.426 18166 5590 1 9 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.901 -1.634 18166 5591 1 9 . 1 1 114 114 ASP H H 114 8.190 8.190 7.644 0.546 18166 5592 1 9 . 1 1 115 115 SER N N 115 121.421 121.421 118.303 3.118 18166 5593 1 9 . 1 1 115 115 SER HA H 115 4.272 4.272 4.118 0.154 18166 5594 1 9 . 1 1 115 115 SER CA C 115 60.133 60.133 61.494 -1.361 18166 5595 1 9 . 1 1 115 115 SER CB C 115 62.791 62.791 63.206 -0.415 18166 5596 1 9 . 1 1 115 115 SER H H 115 8.775 8.775 8.762 0.013 18166 5597 1 9 . 1 1 116 116 SER N N 116 116.860 116.860 117.903 -1.043 18166 5598 1 9 . 1 1 116 116 SER HA H 116 4.481 4.481 4.186 0.295 18166 5599 1 9 . 1 1 116 116 SER CA C 116 57.961 57.961 61.449 -3.488 18166 5600 1 9 . 1 1 116 116 SER CB C 116 63.960 63.960 62.923 1.037 18166 5601 1 9 . 1 1 116 116 SER H H 116 8.404 8.404 8.340 0.064 18166 5602 1 9 . 1 1 117 117 CYS N N 117 121.814 121.814 119.492 2.322 18166 5603 1 9 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.389 -0.078 18166 5604 1 9 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.540 0.432 18166 5605 1 9 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.716 -0.851 18166 5606 1 9 . 1 1 117 117 CYS H H 117 7.401 7.401 7.708 -0.307 18166 5607 1 9 . 1 1 118 118 LYS N N 118 105.939 105.939 121.034 -15.095 18166 5608 1 9 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.890 0.082 18166 5609 1 9 . 1 1 118 118 LYS CA C 118 58.867 58.867 58.969 -0.102 18166 5610 1 9 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.464 0.892 18166 5611 1 9 . 1 1 118 118 LYS H H 118 8.647 8.647 8.067 0.580 18166 5612 1 9 . 1 1 119 119 GLU N N 119 117.724 117.724 117.761 -0.037 18166 5613 1 9 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.070 0.061 18166 5614 1 9 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.981 0.019 18166 5615 1 9 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.964 0.508 18166 5616 1 9 . 1 1 119 119 GLU H H 119 8.998 8.998 8.177 0.821 18166 5617 1 9 . 1 1 120 120 ALA N N 120 120.855 120.855 121.180 -0.325 18166 5618 1 9 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.379 -0.011 18166 5619 1 9 . 1 1 120 120 ALA CA C 120 53.306 53.306 53.941 -0.634 18166 5620 1 9 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.775 -0.662 18166 5621 1 9 . 1 1 120 120 ALA H H 120 7.494 7.494 8.113 -0.619 18166 5622 1 9 . 1 1 121 121 ALA N N 121 123.265 123.265 121.669 1.596 18166 5623 1 9 . 1 1 121 121 ALA HA H 121 3.995 3.995 3.964 0.031 18166 5624 1 9 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.767 0.024 18166 5625 1 9 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.317 -0.513 18166 5626 1 9 . 1 1 121 121 ALA H H 121 7.914 7.914 7.467 0.447 18166 5627 1 9 . 1 1 122 122 ASP N N 122 118.732 118.732 118.128 0.604 18166 5628 1 9 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.366 -0.095 18166 5629 1 9 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.211 -0.969 18166 5630 1 9 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.833 -1.718 18166 5631 1 9 . 1 1 122 122 ASP H H 122 8.964 8.964 7.857 1.107 18166 5632 1 9 . 1 1 123 123 GLY N N 123 108.568 108.568 106.786 1.782 18166 5633 1 9 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.472 0.142 18166 5634 1 9 . 1 1 123 123 GLY H H 123 7.572 7.572 7.429 0.143 18166 5635 1 9 . 1 1 124 124 TYR N N 124 122.944 122.944 122.935 0.009 18166 5636 1 9 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.418 0.196 18166 5637 1 9 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.630 2.554 18166 5638 1 9 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.076 -0.179 18166 5639 1 9 . 1 1 124 124 TYR H H 124 8.162 8.162 7.581 0.581 18166 5640 1 9 . 1 1 125 125 GLN N N 125 115.988 115.988 117.213 -1.225 18166 5641 1 9 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.635 0.240 18166 5642 1 9 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.762 -0.142 18166 5643 1 9 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.671 0.466 18166 5644 1 9 . 1 1 125 125 GLN H H 125 7.510 7.510 7.665 -0.155 18166 5645 1 9 . 1 1 126 126 ARG N N 126 118.626 118.626 118.892 -0.266 18166 5646 1 9 . 1 1 126 126 ARG HA H 126 3.933 3.933 3.975 -0.042 18166 5647 1 9 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.930 0.887 18166 5648 1 9 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.794 1.298 18166 5649 1 9 . 1 1 126 126 ARG H H 126 8.139 8.139 7.735 0.404 18166 5650 1 9 . 1 1 127 127 CYS N N 127 116.985 116.985 116.421 0.564 18166 5651 1 9 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.096 -0.207 18166 5652 1 9 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.890 1.073 18166 5653 1 9 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.212 -0.446 18166 5654 1 9 . 1 1 127 127 CYS H H 127 8.097 8.097 7.730 0.367 18166 5655 1 9 . 1 1 128 128 MET N N 128 120.493 120.493 119.681 0.812 18166 5656 1 9 . 1 1 128 128 MET HA H 128 3.989 3.989 3.848 0.141 18166 5657 1 9 . 1 1 128 128 MET CA C 128 58.420 58.420 58.604 -0.184 18166 5658 1 9 . 1 1 128 128 MET CB C 128 31.539 31.539 31.816 -0.277 18166 5659 1 9 . 1 1 128 128 MET H H 128 8.163 8.163 7.885 0.278 18166 5660 1 9 . 1 1 129 129 MET N N 129 115.583 115.583 116.251 -0.668 18166 5661 1 9 . 1 1 129 129 MET HA H 129 4.211 4.211 4.253 -0.042 18166 5662 1 9 . 1 1 129 129 MET CA C 129 56.677 56.677 57.501 -0.824 18166 5663 1 9 . 1 1 129 129 MET CB C 129 31.951 31.951 32.627 -0.676 18166 5664 1 9 . 1 1 129 129 MET H H 129 7.723 7.723 7.467 0.256 18166 5665 1 9 . 1 1 130 130 ALA N N 130 121.061 121.061 120.260 0.801 18166 5666 1 9 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.951 -0.043 18166 5667 1 9 . 1 1 130 130 ALA CA C 130 53.080 53.080 53.909 -0.829 18166 5668 1 9 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.032 -1.528 18166 5669 1 9 . 1 1 130 130 ALA H H 130 7.458 7.458 7.174 0.284 18166 5670 1 9 . 1 1 131 131 GLN N N 131 114.560 114.560 115.542 -0.982 18166 5671 1 9 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.184 -0.178 18166 5672 1 9 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.646 -0.843 18166 5673 1 9 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.158 -0.053 18166 5674 1 9 . 1 1 131 131 GLN H H 131 7.214 7.214 7.240 -0.026 18166 5675 1 9 . 1 1 132 132 TYR N N 132 117.856 117.856 117.985 -0.129 18166 5676 1 9 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.706 -0.064 18166 5677 1 9 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.281 2.277 18166 5678 1 9 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.724 1.588 18166 5679 1 9 . 1 1 132 132 TYR H H 132 7.545 7.545 7.267 0.278 18166 5680 1 10 . 1 1 2 2 GLY N N 2 109.986 109.986 109.504 0.482 18166 5681 1 10 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.944 -0.134 18166 5682 1 10 . 1 1 2 2 GLY H H 2 8.520 8.520 8.321 0.199 18166 5683 1 10 . 1 1 3 3 HIS N N 3 117.442 117.442 119.177 -1.735 18166 5684 1 10 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.603 0.017 18166 5685 1 10 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.445 -2.017 18166 5686 1 10 . 1 1 3 3 HIS H H 3 8.406 8.406 7.978 0.428 18166 5687 1 10 . 1 1 4 4 HIS N N 4 118.932 118.932 117.995 0.937 18166 5688 1 10 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.533 0.095 18166 5689 1 10 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.659 -1.752 18166 5690 1 10 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.627 -2.429 18166 5691 1 10 . 1 1 4 4 HIS H H 4 8.552 8.552 8.266 0.286 18166 5692 1 10 . 1 1 5 5 HIS N N 5 119.580 119.580 120.336 -0.756 18166 5693 1 10 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.396 0.252 18166 5694 1 10 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.536 -1.403 18166 5695 1 10 . 1 1 5 5 HIS CB C 5 28.761 28.761 29.744 -0.983 18166 5696 1 10 . 1 1 5 5 HIS H H 5 8.615 8.615 8.076 0.539 18166 5697 1 10 . 1 1 6 6 HIS N N 6 121.369 121.369 125.422 -4.053 18166 5698 1 10 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.638 0.010 18166 5699 1 10 . 1 1 6 6 HIS CA C 6 54.949 54.949 54.449 0.500 18166 5700 1 10 . 1 1 6 6 HIS CB C 6 29.100 29.100 29.567 -0.467 18166 5701 1 10 . 1 1 6 6 HIS H H 6 8.732 8.732 8.139 0.593 18166 5702 1 10 . 1 1 7 7 HIS N N 7 120.276 120.276 125.089 -4.813 18166 5703 1 10 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.272 0.370 18166 5704 1 10 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.840 -0.693 18166 5705 1 10 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.836 -2.011 18166 5706 1 10 . 1 1 7 7 HIS H H 7 8.708 8.708 8.563 0.145 18166 5707 1 10 . 1 1 8 8 HIS N N 8 120.007 120.007 122.729 -2.722 18166 5708 1 10 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.332 0.364 18166 5709 1 10 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.455 -1.594 18166 5710 1 10 . 1 1 8 8 HIS CB C 8 28.696 28.696 29.255 -0.558 18166 5711 1 10 . 1 1 8 8 HIS H H 8 8.708 8.708 7.846 0.862 18166 5712 1 10 . 1 1 9 9 SER N N 9 117.977 117.977 120.957 -2.980 18166 5713 1 10 . 1 1 9 9 SER HA H 9 4.404 4.404 4.277 0.127 18166 5714 1 10 . 1 1 9 9 SER CA C 9 57.718 57.718 57.103 0.615 18166 5715 1 10 . 1 1 9 9 SER CB C 9 63.246 63.246 65.036 -1.790 18166 5716 1 10 . 1 1 9 9 SER H H 9 8.535 8.535 7.984 0.551 18166 5717 1 10 . 1 1 10 10 HIS N N 10 120.441 120.441 118.904 1.537 18166 5718 1 10 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.550 0.145 18166 5719 1 10 . 1 1 10 10 HIS H H 10 8.744 8.744 8.379 0.365 18166 5720 1 10 . 1 1 11 11 MET N N 11 122.004 122.004 118.172 3.832 18166 5721 1 10 . 1 1 11 11 MET HA H 11 4.427 4.427 4.232 0.195 18166 5722 1 10 . 1 1 11 11 MET CA C 11 54.665 54.665 57.438 -2.773 18166 5723 1 10 . 1 1 11 11 MET CB C 11 32.913 32.913 32.514 0.399 18166 5724 1 10 . 1 1 11 11 MET H H 11 8.443 8.443 8.472 -0.029 18166 5725 1 10 . 1 1 12 12 ASN N N 12 121.852 121.852 116.360 5.492 18166 5726 1 10 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.802 0.135 18166 5727 1 10 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.723 -0.343 18166 5728 1 10 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.756 -0.443 18166 5729 1 10 . 1 1 12 12 ASN H H 12 8.631 8.631 8.171 0.460 18166 5730 1 10 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.376 -0.016 18166 5731 1 10 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.078 -0.929 18166 5732 1 10 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.139 -0.387 18166 5733 1 10 . 1 1 14 14 ASP N N 14 119.643 119.643 116.529 3.114 18166 5734 1 10 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.722 -0.179 18166 5735 1 10 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.683 0.345 18166 5736 1 10 . 1 1 14 14 ASP CB C 14 39.762 39.762 42.537 -2.775 18166 5737 1 10 . 1 1 14 14 ASP H H 14 8.344 8.344 8.001 0.343 18166 5738 1 10 . 1 1 15 15 LEU N N 15 123.333 123.333 125.998 -2.665 18166 5739 1 10 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.142 0.007 18166 5740 1 10 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.501 -1.058 18166 5741 1 10 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.990 -0.614 18166 5742 1 10 . 1 1 15 15 LEU H H 15 8.119 8.119 8.586 -0.467 18166 5743 1 10 . 1 1 16 16 ALA N N 16 121.879 121.879 120.638 1.241 18166 5744 1 10 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.086 0.028 18166 5745 1 10 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.578 -1.208 18166 5746 1 10 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.731 -0.683 18166 5747 1 10 . 1 1 16 16 ALA H H 16 8.212 8.212 7.880 0.332 18166 5748 1 10 . 1 1 17 17 LEU N N 17 118.990 118.990 115.616 3.374 18166 5749 1 10 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.325 -0.186 18166 5750 1 10 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.266 -1.157 18166 5751 1 10 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.991 -0.615 18166 5752 1 10 . 1 1 17 17 LEU H H 17 7.719 7.719 7.580 0.139 18166 5753 1 10 . 1 1 18 18 MET N N 18 118.534 118.534 118.194 0.340 18166 5754 1 10 . 1 1 18 18 MET HA H 18 4.274 4.274 4.342 -0.068 18166 5755 1 10 . 1 1 18 18 MET CA C 18 56.497 56.497 56.988 -0.491 18166 5756 1 10 . 1 1 18 18 MET CB C 18 31.787 31.787 31.459 0.328 18166 5757 1 10 . 1 1 18 18 MET H H 18 7.996 7.996 7.585 0.411 18166 5758 1 10 . 1 1 19 19 VAL N N 19 119.243 119.243 119.324 -0.081 18166 5759 1 10 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.809 0.024 18166 5760 1 10 . 1 1 19 19 VAL CA C 19 63.734 63.734 64.630 -0.896 18166 5761 1 10 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.460 0.196 18166 5762 1 10 . 1 1 19 19 VAL H H 19 7.915 7.915 7.633 0.282 18166 5763 1 10 . 1 1 20 20 LYS N N 20 123.321 123.321 118.933 4.388 18166 5764 1 10 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.081 -0.104 18166 5765 1 10 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.642 -1.300 18166 5766 1 10 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.838 0.158 18166 5767 1 10 . 1 1 20 20 LYS H H 20 8.139 8.139 7.635 0.504 18166 5768 1 10 . 1 1 21 21 ASN N N 21 118.732 118.732 119.251 -0.519 18166 5769 1 10 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.452 0.126 18166 5770 1 10 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.015 -1.775 18166 5771 1 10 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.259 -0.520 18166 5772 1 10 . 1 1 21 21 ASN H H 21 8.349 8.349 7.891 0.458 18166 5773 1 10 . 1 1 22 22 LYS N N 22 121.941 121.941 120.040 1.901 18166 5774 1 10 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.102 -0.078 18166 5775 1 10 . 1 1 22 22 LYS CA C 22 58.310 58.310 59.050 -0.740 18166 5776 1 10 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.779 -0.260 18166 5777 1 10 . 1 1 22 22 LYS H H 22 8.185 8.185 7.375 0.810 18166 5778 1 10 . 1 1 23 23 GLY N N 23 107.792 107.792 108.060 -0.268 18166 5779 1 10 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.754 1.012 18166 5780 1 10 . 1 1 23 23 GLY H H 23 8.336 8.336 7.953 0.383 18166 5781 1 10 . 1 1 24 24 ASN N N 24 120.049 120.049 119.786 0.263 18166 5782 1 10 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.770 -0.186 18166 5783 1 10 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.765 -0.564 18166 5784 1 10 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.932 -1.362 18166 5785 1 10 . 1 1 24 24 ASN H H 24 8.337 8.337 7.785 0.552 18166 5786 1 10 . 1 1 25 25 GLU N N 25 121.510 121.510 122.001 -0.491 18166 5787 1 10 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.041 0.006 18166 5788 1 10 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.468 -0.492 18166 5789 1 10 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.429 -0.326 18166 5790 1 10 . 1 1 25 25 GLU H H 25 8.366 8.366 7.996 0.370 18166 5791 1 10 . 1 1 26 26 CYS N N 26 116.512 116.512 117.885 -1.373 18166 5792 1 10 . 1 1 26 26 CYS HA H 26 4.102 4.102 3.885 0.217 18166 5793 1 10 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.997 0.007 18166 5794 1 10 . 1 1 26 26 CYS CB C 26 26.256 26.256 25.595 0.662 18166 5795 1 10 . 1 1 26 26 CYS H H 26 8.092 8.092 7.689 0.403 18166 5796 1 10 . 1 1 27 27 PHE N N 27 122.066 122.066 118.117 3.949 18166 5797 1 10 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.140 -0.388 18166 5798 1 10 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.926 0.554 18166 5799 1 10 . 1 1 27 27 PHE CB C 27 39.902 39.902 37.843 2.059 18166 5800 1 10 . 1 1 27 27 PHE H H 27 8.756 8.756 7.393 1.363 18166 5801 1 10 . 1 1 28 28 GLN N N 28 119.430 119.430 119.508 -0.078 18166 5802 1 10 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.168 -0.152 18166 5803 1 10 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.356 -0.231 18166 5804 1 10 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.393 -0.183 18166 5805 1 10 . 1 1 28 28 GLN H H 28 8.574 8.574 7.863 0.711 18166 5806 1 10 . 1 1 29 29 LYS N N 29 116.011 116.011 116.771 -0.760 18166 5807 1 10 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.292 -0.048 18166 5808 1 10 . 1 1 29 29 LYS CA C 29 56.098 56.098 56.002 0.096 18166 5809 1 10 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.782 -0.246 18166 5810 1 10 . 1 1 29 29 LYS H H 29 7.410 7.410 7.596 -0.186 18166 5811 1 10 . 1 1 30 30 GLY N N 30 107.636 107.636 107.791 -0.155 18166 5812 1 10 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.912 -0.329 18166 5813 1 10 . 1 1 30 30 GLY H H 30 7.566 7.566 7.904 -0.338 18166 5814 1 10 . 1 1 31 31 ASP N N 31 120.587 120.587 122.496 -1.909 18166 5815 1 10 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.815 -0.147 18166 5816 1 10 . 1 1 31 31 ASP CA C 31 51.041 51.041 54.385 -3.344 18166 5817 1 10 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.529 -1.811 18166 5818 1 10 . 1 1 31 31 ASP H H 31 7.826 7.826 7.889 -0.063 18166 5819 1 10 . 1 1 32 32 TYR N N 32 120.190 120.190 125.364 -5.174 18166 5820 1 10 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.519 -0.747 18166 5821 1 10 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.628 0.626 18166 5822 1 10 . 1 1 32 32 TYR H H 32 7.313 7.313 8.333 -1.020 18166 5823 1 10 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.324 -0.104 18166 5824 1 10 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.512 0.843 18166 5825 1 10 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.370 -0.083 18166 5826 1 10 . 1 1 34 34 GLN N N 34 115.797 115.797 117.971 -2.174 18166 5827 1 10 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.999 -0.074 18166 5828 1 10 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.918 -0.754 18166 5829 1 10 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.373 1.005 18166 5830 1 10 . 1 1 34 34 GLN H H 34 7.278 7.278 8.790 -1.512 18166 5831 1 10 . 1 1 35 35 ALA N N 35 121.852 121.852 120.230 1.622 18166 5832 1 10 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.832 0.240 18166 5833 1 10 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.445 1.152 18166 5834 1 10 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.292 1.253 18166 5835 1 10 . 1 1 35 35 ALA H H 35 8.376 8.376 8.147 0.229 18166 5836 1 10 . 1 1 36 36 MET N N 36 116.867 116.867 115.772 1.095 18166 5837 1 10 . 1 1 36 36 MET HA H 36 3.887 3.887 3.989 -0.102 18166 5838 1 10 . 1 1 36 36 MET CA C 36 59.400 59.400 59.433 -0.033 18166 5839 1 10 . 1 1 36 36 MET CB C 36 30.626 30.626 32.637 -2.011 18166 5840 1 10 . 1 1 36 36 MET H H 36 8.538 8.538 7.688 0.850 18166 5841 1 10 . 1 1 37 37 LYS N N 37 122.037 122.037 118.512 3.525 18166 5842 1 10 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.136 -0.224 18166 5843 1 10 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.021 0.204 18166 5844 1 10 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.290 -0.094 18166 5845 1 10 . 1 1 37 37 LYS H H 37 7.599 7.599 7.650 -0.051 18166 5846 1 10 . 1 1 38 38 HIS N N 38 117.718 117.718 118.764 -1.046 18166 5847 1 10 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.319 0.316 18166 5848 1 10 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.520 -0.520 18166 5849 1 10 . 1 1 38 38 HIS CB C 38 28.000 28.000 30.345 -2.345 18166 5850 1 10 . 1 1 38 38 HIS H H 38 7.908 7.908 7.872 0.036 18166 5851 1 10 . 1 1 39 39 TYR N N 39 118.987 118.987 117.912 1.075 18166 5852 1 10 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.471 -0.006 18166 5853 1 10 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.127 0.126 18166 5854 1 10 . 1 1 39 39 TYR CB C 39 36.791 36.791 38.362 -1.571 18166 5855 1 10 . 1 1 39 39 TYR H H 39 9.156 9.156 8.092 1.064 18166 5856 1 10 . 1 1 40 40 THR N N 40 117.147 117.147 116.583 0.564 18166 5857 1 10 . 1 1 40 40 THR HA H 40 3.872 3.872 3.836 0.036 18166 5858 1 10 . 1 1 40 40 THR CA C 40 67.449 67.449 67.148 0.301 18166 5859 1 10 . 1 1 40 40 THR CB C 40 68.728 68.728 68.445 0.283 18166 5860 1 10 . 1 1 40 40 THR H H 40 8.476 8.476 7.772 0.704 18166 5861 1 10 . 1 1 41 41 GLU N N 41 122.067 122.067 120.154 1.913 18166 5862 1 10 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.017 -0.038 18166 5863 1 10 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.022 -0.277 18166 5864 1 10 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.940 -0.217 18166 5865 1 10 . 1 1 41 41 GLU H H 41 7.762 7.762 7.910 -0.148 18166 5866 1 10 . 1 1 42 42 ALA N N 42 122.040 122.040 122.394 -0.354 18166 5867 1 10 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.138 -0.169 18166 5868 1 10 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.390 0.779 18166 5869 1 10 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.367 0.003 18166 5870 1 10 . 1 1 42 42 ALA H H 42 8.191 8.191 7.705 0.486 18166 5871 1 10 . 1 1 43 43 ILE N N 43 122.662 122.662 117.888 4.774 18166 5872 1 10 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.750 -0.434 18166 5873 1 10 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.511 1.087 18166 5874 1 10 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.666 0.821 18166 5875 1 10 . 1 1 43 43 ILE H H 43 8.427 8.427 7.899 0.528 18166 5876 1 10 . 1 1 44 44 LYS N N 44 117.349 117.349 116.717 0.632 18166 5877 1 10 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.038 -0.097 18166 5878 1 10 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.763 0.938 18166 5879 1 10 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.065 -0.074 18166 5880 1 10 . 1 1 44 44 LYS H H 44 7.473 7.473 7.547 -0.074 18166 5881 1 10 . 1 1 45 45 ARG N N 45 114.723 114.723 117.195 -2.472 18166 5882 1 10 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.357 -0.184 18166 5883 1 10 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.203 0.203 18166 5884 1 10 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.261 -0.924 18166 5885 1 10 . 1 1 45 45 ARG H H 45 7.150 7.150 7.311 -0.161 18166 5886 1 10 . 1 1 46 46 ASN N N 46 115.919 115.919 116.212 -0.293 18166 5887 1 10 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.183 -0.110 18166 5888 1 10 . 1 1 46 46 ASN CA C 46 51.157 51.157 50.567 0.590 18166 5889 1 10 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.296 -0.665 18166 5890 1 10 . 1 1 46 46 ASN H H 46 7.885 7.885 8.346 -0.461 18166 5891 1 10 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.861 -0.129 18166 5892 1 10 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.137 0.068 18166 5893 1 10 . 1 1 47 47 PRO CB C 47 31.954 31.954 31.973 -0.019 18166 5894 1 10 . 1 1 48 48 LYS N N 48 118.494 118.494 117.481 1.013 18166 5895 1 10 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.293 0.342 18166 5896 1 10 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.564 -1.564 18166 5897 1 10 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.197 -0.770 18166 5898 1 10 . 1 1 48 48 LYS H H 48 8.154 8.154 8.097 0.057 18166 5899 1 10 . 1 1 49 49 ASP N N 49 119.387 119.387 120.255 -0.868 18166 5900 1 10 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.691 -0.001 18166 5901 1 10 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.451 -0.573 18166 5902 1 10 . 1 1 49 49 ASP CB C 49 40.026 40.026 42.192 -2.166 18166 5903 1 10 . 1 1 49 49 ASP H H 49 7.317 7.317 7.538 -0.221 18166 5904 1 10 . 1 1 50 50 ALA N N 50 128.206 128.206 128.786 -0.580 18166 5905 1 10 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.033 0.008 18166 5906 1 10 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.090 0.474 18166 5907 1 10 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.854 1.236 18166 5908 1 10 . 1 1 50 50 ALA H H 50 8.466 8.466 8.700 -0.234 18166 5909 1 10 . 1 1 51 51 LYS N N 51 113.628 113.628 118.540 -4.912 18166 5910 1 10 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.060 -0.183 18166 5911 1 10 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.897 0.417 18166 5912 1 10 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.533 -0.213 18166 5913 1 10 . 1 1 51 51 LYS H H 51 7.985 7.985 7.874 0.111 18166 5914 1 10 . 1 1 52 52 LEU N N 52 117.207 117.207 119.134 -1.927 18166 5915 1 10 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.920 -0.248 18166 5916 1 10 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.848 -0.570 18166 5917 1 10 . 1 1 52 52 LEU CB C 52 42.092 42.092 41.033 1.059 18166 5918 1 10 . 1 1 52 52 LEU H H 52 7.323 7.323 8.046 -0.723 18166 5919 1 10 . 1 1 53 53 TYR N N 53 116.167 116.167 116.629 -0.462 18166 5920 1 10 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.241 -0.363 18166 5921 1 10 . 1 1 53 53 TYR CA C 53 61.573 61.573 60.960 0.613 18166 5922 1 10 . 1 1 53 53 TYR CB C 53 38.147 38.147 38.501 -0.353 18166 5923 1 10 . 1 1 53 53 TYR H H 53 6.955 6.955 7.585 -0.630 18166 5924 1 10 . 1 1 54 54 SER N N 54 112.799 112.799 114.804 -2.005 18166 5925 1 10 . 1 1 54 54 SER HA H 54 3.976 3.976 4.266 -0.290 18166 5926 1 10 . 1 1 54 54 SER CA C 54 61.200 61.200 60.136 1.063 18166 5927 1 10 . 1 1 54 54 SER CB C 54 62.184 62.184 62.736 -0.552 18166 5928 1 10 . 1 1 54 54 SER H H 54 7.661 7.661 8.094 -0.433 18166 5929 1 10 . 1 1 55 55 ASN N N 55 119.126 119.126 120.061 -0.935 18166 5930 1 10 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.400 -0.301 18166 5931 1 10 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.328 -0.086 18166 5932 1 10 . 1 1 55 55 ASN CB C 55 36.277 36.277 38.310 -2.033 18166 5933 1 10 . 1 1 55 55 ASN H H 55 7.729 7.729 8.174 -0.445 18166 5934 1 10 . 1 1 56 56 ARG N N 56 122.589 122.589 119.472 3.117 18166 5935 1 10 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.896 0.237 18166 5936 1 10 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.861 2.699 18166 5937 1 10 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.608 -0.539 18166 5938 1 10 . 1 1 56 56 ARG H H 56 8.329 8.329 8.067 0.262 18166 5939 1 10 . 1 1 57 57 ALA N N 57 122.569 122.569 122.472 0.097 18166 5940 1 10 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.264 -0.004 18166 5941 1 10 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.998 1.077 18166 5942 1 10 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.151 1.738 18166 5943 1 10 . 1 1 57 57 ALA H H 57 8.857 8.857 7.814 1.043 18166 5944 1 10 . 1 1 58 58 ALA N N 58 120.015 120.015 120.530 -0.515 18166 5945 1 10 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.037 0.046 18166 5946 1 10 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.733 0.317 18166 5947 1 10 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.103 -0.279 18166 5948 1 10 . 1 1 58 58 ALA H H 58 7.574 7.574 7.725 -0.151 18166 5949 1 10 . 1 1 59 59 CYS N N 59 117.074 117.074 118.169 -1.095 18166 5950 1 10 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.418 -0.356 18166 5951 1 10 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.489 1.756 18166 5952 1 10 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.394 0.433 18166 5953 1 10 . 1 1 59 59 CYS H H 59 7.523 7.523 7.445 0.078 18166 5954 1 10 . 1 1 60 60 TYR N N 60 118.554 118.554 119.260 -0.706 18166 5955 1 10 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.222 0.065 18166 5956 1 10 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.034 0.870 18166 5957 1 10 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.220 1.057 18166 5958 1 10 . 1 1 60 60 TYR H H 60 8.684 8.684 8.094 0.590 18166 5959 1 10 . 1 1 61 61 THR N N 61 116.951 116.951 112.108 4.843 18166 5960 1 10 . 1 1 61 61 THR HA H 61 4.264 4.264 2.848 1.416 18166 5961 1 10 . 1 1 61 61 THR CA C 61 67.645 67.645 65.558 2.087 18166 5962 1 10 . 1 1 61 61 THR CB C 61 67.784 67.784 68.335 -0.551 18166 5963 1 10 . 1 1 61 61 THR H H 61 8.572 8.572 8.034 0.538 18166 5964 1 10 . 1 1 62 62 LYS N N 62 122.578 122.578 121.437 1.141 18166 5965 1 10 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.138 -0.214 18166 5966 1 10 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.110 -0.904 18166 5967 1 10 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.912 -1.118 18166 5968 1 10 . 1 1 62 62 LYS H H 62 7.410 7.410 7.685 -0.275 18166 5969 1 10 . 1 1 63 63 LEU N N 63 117.404 117.404 118.064 -0.660 18166 5970 1 10 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.356 -0.140 18166 5971 1 10 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.749 -0.704 18166 5972 1 10 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.431 -0.788 18166 5973 1 10 . 1 1 63 63 LEU H H 63 7.397 7.397 7.488 -0.091 18166 5974 1 10 . 1 1 64 64 LEU N N 64 113.668 113.668 115.819 -2.151 18166 5975 1 10 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.160 -1.190 18166 5976 1 10 . 1 1 64 64 LEU CA C 64 54.818 54.818 55.728 -0.910 18166 5977 1 10 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.008 -1.757 18166 5978 1 10 . 1 1 64 64 LEU H H 64 7.457 7.457 7.614 -0.157 18166 5979 1 10 . 1 1 65 65 GLU N N 65 120.636 120.636 120.474 0.162 18166 5980 1 10 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.460 -0.057 18166 5981 1 10 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.433 -1.203 18166 5982 1 10 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.936 -0.846 18166 5983 1 10 . 1 1 65 65 GLU H H 65 8.085 8.085 8.315 -0.230 18166 5984 1 10 . 1 1 66 66 PHE N N 66 118.292 118.292 119.683 -1.391 18166 5985 1 10 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.115 -0.089 18166 5986 1 10 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.046 -1.057 18166 5987 1 10 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.869 -0.586 18166 5988 1 10 . 1 1 66 66 PHE H H 66 6.812 6.812 7.770 -0.958 18166 5989 1 10 . 1 1 67 67 GLN N N 67 117.166 117.166 118.177 -1.011 18166 5990 1 10 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.045 -0.062 18166 5991 1 10 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.818 -0.140 18166 5992 1 10 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.889 -1.045 18166 5993 1 10 . 1 1 67 67 GLN H H 67 8.589 8.589 8.592 -0.003 18166 5994 1 10 . 1 1 68 68 LEU N N 68 119.871 119.871 119.257 0.614 18166 5995 1 10 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.987 -0.221 18166 5996 1 10 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.496 0.979 18166 5997 1 10 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.892 -2.872 18166 5998 1 10 . 1 1 68 68 LEU H H 68 7.422 7.422 7.774 -0.351 18166 5999 1 10 . 1 1 69 69 ALA N N 69 121.380 121.380 122.426 -1.046 18166 6000 1 10 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.209 -0.076 18166 6001 1 10 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.176 0.652 18166 6002 1 10 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.447 0.060 18166 6003 1 10 . 1 1 69 69 ALA H H 69 7.871 7.871 7.709 0.162 18166 6004 1 10 . 1 1 70 70 LEU N N 70 118.569 118.569 118.820 -0.251 18166 6005 1 10 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.949 -0.135 18166 6006 1 10 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.883 0.696 18166 6007 1 10 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.778 -0.852 18166 6008 1 10 . 1 1 70 70 LEU H H 70 8.519 8.519 8.193 0.326 18166 6009 1 10 . 1 1 71 71 LYS N N 71 119.700 119.700 117.409 2.291 18166 6010 1 10 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.958 0.019 18166 6011 1 10 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.164 0.031 18166 6012 1 10 . 1 1 71 71 LYS H H 71 7.619 7.619 7.467 0.152 18166 6013 1 10 . 1 1 72 72 ASP N N 72 121.506 121.506 120.595 0.911 18166 6014 1 10 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.776 -0.162 18166 6015 1 10 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.210 0.083 18166 6016 1 10 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.910 -1.928 18166 6017 1 10 . 1 1 72 72 ASP H H 72 7.460 7.460 8.455 -0.995 18166 6018 1 10 . 1 1 73 73 CYS N N 73 118.302 118.302 115.733 2.569 18166 6019 1 10 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.567 -0.733 18166 6020 1 10 . 1 1 73 73 CYS CA C 73 64.687 64.687 59.701 4.986 18166 6021 1 10 . 1 1 73 73 CYS CB C 73 26.546 26.546 28.390 -1.844 18166 6022 1 10 . 1 1 73 73 CYS H H 73 8.366 8.366 7.719 0.647 18166 6023 1 10 . 1 1 74 74 GLU N N 74 117.660 117.660 121.734 -4.074 18166 6024 1 10 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.233 -0.332 18166 6025 1 10 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.752 -0.539 18166 6026 1 10 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.296 -1.280 18166 6027 1 10 . 1 1 74 74 GLU H H 74 8.244 8.244 8.395 -0.151 18166 6028 1 10 . 1 1 75 75 GLU N N 75 119.807 119.807 119.506 0.301 18166 6029 1 10 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.082 -0.189 18166 6030 1 10 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.562 -0.413 18166 6031 1 10 . 1 1 75 75 GLU CB C 75 26.674 26.674 28.928 -2.254 18166 6032 1 10 . 1 1 75 75 GLU H H 75 7.394 7.394 8.024 -0.630 18166 6033 1 10 . 1 1 76 76 CYS N N 76 118.342 118.342 117.641 0.701 18166 6034 1 10 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.857 -0.016 18166 6035 1 10 . 1 1 76 76 CYS CA C 76 64.303 64.303 62.190 2.113 18166 6036 1 10 . 1 1 76 76 CYS CB C 76 26.371 26.371 25.706 0.665 18166 6037 1 10 . 1 1 76 76 CYS H H 76 7.852 7.852 7.251 0.601 18166 6038 1 10 . 1 1 77 77 ILE N N 77 117.728 117.728 120.710 -2.982 18166 6039 1 10 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.127 -0.647 18166 6040 1 10 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.119 0.090 18166 6041 1 10 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.746 0.803 18166 6042 1 10 . 1 1 77 77 ILE H H 77 7.897 7.897 6.989 0.908 18166 6043 1 10 . 1 1 78 78 GLN N N 78 117.037 117.037 117.089 -0.052 18166 6044 1 10 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.162 -0.257 18166 6045 1 10 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.539 0.675 18166 6046 1 10 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.839 -0.489 18166 6047 1 10 . 1 1 78 78 GLN H H 78 7.655 7.655 7.720 -0.065 18166 6048 1 10 . 1 1 79 79 LEU N N 79 118.180 118.180 118.762 -0.582 18166 6049 1 10 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.370 -0.275 18166 6050 1 10 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.720 0.795 18166 6051 1 10 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.580 0.464 18166 6052 1 10 . 1 1 79 79 LEU H H 79 8.021 8.021 7.219 0.802 18166 6053 1 10 . 1 1 80 80 GLU N N 80 117.250 117.250 117.865 -0.615 18166 6054 1 10 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.763 0.073 18166 6055 1 10 . 1 1 80 80 GLU CA C 80 53.542 53.542 52.920 0.622 18166 6056 1 10 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.604 -0.825 18166 6057 1 10 . 1 1 80 80 GLU H H 80 8.403 8.403 8.125 0.278 18166 6058 1 10 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.537 0.329 18166 6059 1 10 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.781 -0.036 18166 6060 1 10 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.168 -0.416 18166 6061 1 10 . 1 1 82 82 THR N N 82 107.443 107.443 106.894 0.549 18166 6062 1 10 . 1 1 82 82 THR HA H 82 4.607 4.607 4.304 0.303 18166 6063 1 10 . 1 1 82 82 THR CA C 82 61.139 61.139 60.451 0.688 18166 6064 1 10 . 1 1 82 82 THR CB C 82 68.785 68.785 67.794 0.991 18166 6065 1 10 . 1 1 82 82 THR H H 82 8.129 8.129 7.927 0.202 18166 6066 1 10 . 1 1 83 83 PHE N N 83 123.490 123.490 120.370 3.120 18166 6067 1 10 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.620 0.510 18166 6068 1 10 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.532 -0.820 18166 6069 1 10 . 1 1 83 83 PHE CB C 83 38.263 38.263 37.794 0.469 18166 6070 1 10 . 1 1 83 83 PHE H H 83 8.022 8.022 7.548 0.474 18166 6071 1 10 . 1 1 84 84 ILE N N 84 131.837 131.837 125.018 6.819 18166 6072 1 10 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.627 0.323 18166 6073 1 10 . 1 1 84 84 ILE CA C 84 64.230 64.230 63.961 0.269 18166 6074 1 10 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.995 -0.026 18166 6075 1 10 . 1 1 84 84 ILE H H 84 8.955 8.955 8.015 0.940 18166 6076 1 10 . 1 1 85 85 LYS N N 85 115.465 115.465 119.712 -4.247 18166 6077 1 10 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.108 0.350 18166 6078 1 10 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.266 -1.930 18166 6079 1 10 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.524 -0.043 18166 6080 1 10 . 1 1 85 85 LYS H H 85 6.000 6.000 8.346 -2.346 18166 6081 1 10 . 1 1 86 86 GLY N N 86 103.958 103.958 106.336 -2.378 18166 6082 1 10 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.669 1.492 18166 6083 1 10 . 1 1 86 86 GLY H H 86 6.966 6.966 8.616 -1.650 18166 6084 1 10 . 1 1 87 87 TYR N N 87 115.851 115.851 120.994 -5.143 18166 6085 1 10 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.126 -0.186 18166 6086 1 10 . 1 1 87 87 TYR CA C 87 60.197 60.197 59.937 0.260 18166 6087 1 10 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.122 1.111 18166 6088 1 10 . 1 1 87 87 TYR H H 87 6.814 6.814 7.135 -0.321 18166 6089 1 10 . 1 1 88 88 THR N N 88 109.840 109.840 113.609 -3.769 18166 6090 1 10 . 1 1 88 88 THR HA H 88 4.328 4.328 4.147 0.181 18166 6091 1 10 . 1 1 88 88 THR CA C 88 66.353 66.353 66.719 -0.366 18166 6092 1 10 . 1 1 88 88 THR CB C 88 66.371 66.371 68.273 -1.902 18166 6093 1 10 . 1 1 88 88 THR H H 88 8.318 8.318 8.529 -0.211 18166 6094 1 10 . 1 1 89 89 ARG N N 89 121.855 121.855 119.473 2.382 18166 6095 1 10 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.405 -0.328 18166 6096 1 10 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.171 1.858 18166 6097 1 10 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.566 -0.293 18166 6098 1 10 . 1 1 89 89 ARG H H 89 8.320 8.320 7.683 0.637 18166 6099 1 10 . 1 1 90 90 LYS N N 90 124.436 124.436 122.138 2.298 18166 6100 1 10 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.226 -0.297 18166 6101 1 10 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.847 1.015 18166 6102 1 10 . 1 1 90 90 LYS H H 90 7.379 7.379 8.357 -0.978 18166 6103 1 10 . 1 1 91 91 ALA N N 91 121.179 121.179 120.149 1.030 18166 6104 1 10 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.934 -0.442 18166 6105 1 10 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.684 0.369 18166 6106 1 10 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.587 -2.142 18166 6107 1 10 . 1 1 91 91 ALA H H 91 8.460 8.460 7.882 0.578 18166 6108 1 10 . 1 1 92 92 ALA N N 92 118.165 118.165 121.739 -3.574 18166 6109 1 10 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.331 -0.207 18166 6110 1 10 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.965 -0.098 18166 6111 1 10 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.609 -0.589 18166 6112 1 10 . 1 1 92 92 ALA H H 92 7.871 7.871 7.658 0.213 18166 6113 1 10 . 1 1 93 93 ALA N N 93 123.065 123.065 121.369 1.696 18166 6114 1 10 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.395 -0.405 18166 6115 1 10 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.828 0.509 18166 6116 1 10 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.586 -1.965 18166 6117 1 10 . 1 1 93 93 ALA H H 93 7.649 7.649 7.801 -0.152 18166 6118 1 10 . 1 1 94 94 LEU N N 94 117.762 117.762 119.777 -2.015 18166 6119 1 10 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.833 0.283 18166 6120 1 10 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.750 -0.100 18166 6121 1 10 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.424 0.378 18166 6122 1 10 . 1 1 94 94 LEU H H 94 7.847 7.847 8.226 -0.379 18166 6123 1 10 . 1 1 95 95 GLU N N 95 121.139 121.139 119.236 1.903 18166 6124 1 10 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.038 -0.683 18166 6125 1 10 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.422 -0.294 18166 6126 1 10 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.756 -0.363 18166 6127 1 10 . 1 1 95 95 GLU H H 95 8.971 8.971 8.330 0.641 18166 6128 1 10 . 1 1 96 96 ALA N N 96 124.630 124.630 119.817 4.813 18166 6129 1 10 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.100 -0.149 18166 6130 1 10 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.794 0.778 18166 6131 1 10 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.387 -1.028 18166 6132 1 10 . 1 1 96 96 ALA H H 96 7.890 7.890 7.630 0.260 18166 6133 1 10 . 1 1 97 97 MET N N 97 115.484 115.484 116.948 -1.464 18166 6134 1 10 . 1 1 97 97 MET HA H 97 3.714 3.714 4.407 -0.693 18166 6135 1 10 . 1 1 97 97 MET CA C 97 56.071 56.071 53.937 2.134 18166 6136 1 10 . 1 1 97 97 MET CB C 97 33.654 33.654 32.136 1.518 18166 6137 1 10 . 1 1 97 97 MET H H 97 7.155 7.155 7.415 -0.260 18166 6138 1 10 . 1 1 98 98 LYS N N 98 112.882 112.882 114.429 -1.547 18166 6139 1 10 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.177 -0.447 18166 6140 1 10 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.401 -0.649 18166 6141 1 10 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.086 -0.966 18166 6142 1 10 . 1 1 98 98 LYS H H 98 7.597 7.597 7.466 0.131 18166 6143 1 10 . 1 1 99 99 ASP N N 99 120.642 120.642 120.591 0.051 18166 6144 1 10 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.703 0.134 18166 6145 1 10 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.545 -2.783 18166 6146 1 10 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.417 -1.738 18166 6147 1 10 . 1 1 99 99 ASP H H 99 7.888 7.888 7.954 -0.066 18166 6148 1 10 . 1 1 100 100 TYR N N 100 117.948 117.948 119.395 -1.447 18166 6149 1 10 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.231 -0.286 18166 6150 1 10 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.465 1.469 18166 6151 1 10 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.278 0.361 18166 6152 1 10 . 1 1 100 100 TYR H H 100 6.984 6.984 6.952 0.032 18166 6153 1 10 . 1 1 101 101 THR N N 101 113.752 113.752 109.318 4.434 18166 6154 1 10 . 1 1 101 101 THR HA H 101 4.008 4.008 4.082 -0.074 18166 6155 1 10 . 1 1 101 101 THR CA C 101 65.857 65.857 65.147 0.710 18166 6156 1 10 . 1 1 101 101 THR CB C 101 67.689 67.689 68.387 -0.698 18166 6157 1 10 . 1 1 101 101 THR H H 101 8.543 8.543 8.420 0.123 18166 6158 1 10 . 1 1 102 102 LYS N N 102 120.641 120.641 121.150 -0.509 18166 6159 1 10 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.307 -0.165 18166 6160 1 10 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.543 1.543 18166 6161 1 10 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.788 0.391 18166 6162 1 10 . 1 1 102 102 LYS H H 102 7.348 7.348 7.642 -0.294 18166 6163 1 10 . 1 1 103 103 ALA N N 103 120.302 120.302 123.210 -2.908 18166 6164 1 10 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.837 -0.172 18166 6165 1 10 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.248 0.408 18166 6166 1 10 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.502 0.387 18166 6167 1 10 . 1 1 103 103 ALA H H 103 8.344 8.344 8.211 0.133 18166 6168 1 10 . 1 1 104 104 MET N N 104 116.430 116.430 114.509 1.921 18166 6169 1 10 . 1 1 104 104 MET HA H 104 3.939 3.939 4.485 -0.546 18166 6170 1 10 . 1 1 104 104 MET CA C 104 61.020 61.020 59.257 1.763 18166 6171 1 10 . 1 1 104 104 MET CB C 104 33.904 33.904 32.234 1.670 18166 6172 1 10 . 1 1 104 104 MET H H 104 8.375 8.375 8.346 0.029 18166 6173 1 10 . 1 1 105 105 ASP N N 105 117.449 117.449 120.690 -3.241 18166 6174 1 10 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.430 0.080 18166 6175 1 10 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.547 -0.434 18166 6176 1 10 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.567 -0.358 18166 6177 1 10 . 1 1 105 105 ASP H H 105 7.319 7.319 7.997 -0.678 18166 6178 1 10 . 1 1 106 106 VAL N N 106 121.168 121.168 120.321 0.847 18166 6179 1 10 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.355 0.395 18166 6180 1 10 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.716 0.264 18166 6181 1 10 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.590 -0.829 18166 6182 1 10 . 1 1 106 106 VAL H H 106 7.825 7.825 7.461 0.364 18166 6183 1 10 . 1 1 107 107 TYR N N 107 120.714 120.714 118.748 1.966 18166 6184 1 10 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.118 0.153 18166 6185 1 10 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.389 1.064 18166 6186 1 10 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.402 0.752 18166 6187 1 10 . 1 1 107 107 TYR H H 107 9.215 9.215 8.302 0.913 18166 6188 1 10 . 1 1 108 108 GLN N N 108 117.293 117.293 118.335 -1.042 18166 6189 1 10 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.868 -0.035 18166 6190 1 10 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.925 -0.223 18166 6191 1 10 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.232 0.013 18166 6192 1 10 . 1 1 108 108 GLN H H 108 8.605 8.605 7.844 0.761 18166 6193 1 10 . 1 1 109 109 LYS N N 109 120.342 120.342 118.261 2.081 18166 6194 1 10 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.053 -0.051 18166 6195 1 10 . 1 1 109 109 LYS CA C 109 58.537 58.537 57.753 0.784 18166 6196 1 10 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.649 -0.628 18166 6197 1 10 . 1 1 109 109 LYS H H 109 7.571 7.571 8.020 -0.449 18166 6198 1 10 . 1 1 110 110 ALA N N 110 119.851 119.851 123.080 -3.229 18166 6199 1 10 . 1 1 110 110 ALA HA H 110 3.779 3.779 4.221 -0.442 18166 6200 1 10 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.242 -0.190 18166 6201 1 10 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.397 -0.709 18166 6202 1 10 . 1 1 110 110 ALA H H 110 7.693 7.693 7.776 -0.083 18166 6203 1 10 . 1 1 111 111 LEU N N 111 117.859 117.859 118.035 -0.176 18166 6204 1 10 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.261 -0.184 18166 6205 1 10 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.015 -0.804 18166 6206 1 10 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.752 0.057 18166 6207 1 10 . 1 1 111 111 LEU H H 111 7.811 7.811 8.115 -0.304 18166 6208 1 10 . 1 1 112 112 ASP N N 112 118.421 118.421 119.639 -1.218 18166 6209 1 10 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.392 -0.141 18166 6210 1 10 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.817 -1.055 18166 6211 1 10 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.065 -1.870 18166 6212 1 10 . 1 1 112 112 ASP H H 112 8.099 8.099 7.888 0.211 18166 6213 1 10 . 1 1 113 113 LEU N N 113 120.299 120.299 117.398 2.901 18166 6214 1 10 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.204 -0.047 18166 6215 1 10 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.262 0.272 18166 6216 1 10 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.689 -0.210 18166 6217 1 10 . 1 1 113 113 LEU H H 113 7.319 7.319 7.787 -0.468 18166 6218 1 10 . 1 1 114 114 ASP N N 114 118.196 118.196 117.107 1.089 18166 6219 1 10 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.772 -0.134 18166 6220 1 10 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.688 -0.500 18166 6221 1 10 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.701 -1.434 18166 6222 1 10 . 1 1 114 114 ASP H H 114 8.190 8.190 7.622 0.568 18166 6223 1 10 . 1 1 115 115 SER N N 115 121.421 121.421 123.216 -1.795 18166 6224 1 10 . 1 1 115 115 SER HA H 115 4.272 4.272 4.161 0.111 18166 6225 1 10 . 1 1 115 115 SER CA C 115 60.133 60.133 61.084 -0.951 18166 6226 1 10 . 1 1 115 115 SER CB C 115 62.791 62.791 63.128 -0.337 18166 6227 1 10 . 1 1 115 115 SER H H 115 8.775 8.775 8.848 -0.073 18166 6228 1 10 . 1 1 116 116 SER N N 116 116.860 116.860 116.998 -0.138 18166 6229 1 10 . 1 1 116 116 SER HA H 116 4.481 4.481 4.276 0.205 18166 6230 1 10 . 1 1 116 116 SER CA C 116 57.961 57.961 60.269 -2.308 18166 6231 1 10 . 1 1 116 116 SER CB C 116 63.960 63.960 62.695 1.265 18166 6232 1 10 . 1 1 116 116 SER H H 116 8.404 8.404 8.075 0.329 18166 6233 1 10 . 1 1 117 117 CYS N N 117 121.814 121.814 121.251 0.563 18166 6234 1 10 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.429 -0.118 18166 6235 1 10 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.494 0.478 18166 6236 1 10 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.779 -0.913 18166 6237 1 10 . 1 1 117 117 CYS H H 117 7.401 7.401 7.715 -0.314 18166 6238 1 10 . 1 1 118 118 LYS N N 118 105.939 105.939 120.669 -14.730 18166 6239 1 10 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.855 0.117 18166 6240 1 10 . 1 1 118 118 LYS CA C 118 58.867 58.867 58.991 -0.124 18166 6241 1 10 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.463 0.893 18166 6242 1 10 . 1 1 118 118 LYS H H 118 8.647 8.647 8.086 0.561 18166 6243 1 10 . 1 1 119 119 GLU N N 119 117.724 117.724 118.183 -0.459 18166 6244 1 10 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.070 0.061 18166 6245 1 10 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.942 0.058 18166 6246 1 10 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.875 0.598 18166 6247 1 10 . 1 1 119 119 GLU H H 119 8.998 8.998 8.355 0.643 18166 6248 1 10 . 1 1 120 120 ALA N N 120 120.855 120.855 121.136 -0.281 18166 6249 1 10 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.241 0.127 18166 6250 1 10 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.363 -1.057 18166 6251 1 10 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.507 -0.394 18166 6252 1 10 . 1 1 120 120 ALA H H 120 7.494 7.494 8.361 -0.867 18166 6253 1 10 . 1 1 121 121 ALA N N 121 123.265 123.265 121.881 1.384 18166 6254 1 10 . 1 1 121 121 ALA HA H 121 3.995 3.995 3.984 0.011 18166 6255 1 10 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.067 -0.275 18166 6256 1 10 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.575 -0.771 18166 6257 1 10 . 1 1 121 121 ALA H H 121 7.914 7.914 7.658 0.256 18166 6258 1 10 . 1 1 122 122 ASP N N 122 118.732 118.732 118.522 0.210 18166 6259 1 10 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.313 -0.042 18166 6260 1 10 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.410 -1.168 18166 6261 1 10 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.748 -1.633 18166 6262 1 10 . 1 1 122 122 ASP H H 122 8.964 8.964 7.899 1.065 18166 6263 1 10 . 1 1 123 123 GLY N N 123 108.568 108.568 106.802 1.766 18166 6264 1 10 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.603 0.011 18166 6265 1 10 . 1 1 123 123 GLY H H 123 7.572 7.572 7.784 -0.212 18166 6266 1 10 . 1 1 124 124 TYR N N 124 122.944 122.944 122.995 -0.051 18166 6267 1 10 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.731 -0.117 18166 6268 1 10 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.295 2.889 18166 6269 1 10 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.156 -0.259 18166 6270 1 10 . 1 1 124 124 TYR H H 124 8.162 8.162 7.466 0.696 18166 6271 1 10 . 1 1 125 125 GLN N N 125 115.988 115.988 117.882 -1.894 18166 6272 1 10 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.568 0.307 18166 6273 1 10 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.984 -0.364 18166 6274 1 10 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.938 0.199 18166 6275 1 10 . 1 1 125 125 GLN H H 125 7.510 7.510 7.946 -0.436 18166 6276 1 10 . 1 1 126 126 ARG N N 126 118.626 118.626 117.582 1.044 18166 6277 1 10 . 1 1 126 126 ARG HA H 126 3.933 3.933 3.976 -0.043 18166 6278 1 10 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.528 1.289 18166 6279 1 10 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.679 1.413 18166 6280 1 10 . 1 1 126 126 ARG H H 126 8.139 8.139 7.658 0.481 18166 6281 1 10 . 1 1 127 127 CYS N N 127 116.985 116.985 118.228 -1.243 18166 6282 1 10 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.241 -0.352 18166 6283 1 10 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.040 1.923 18166 6284 1 10 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.802 -1.036 18166 6285 1 10 . 1 1 127 127 CYS H H 127 8.097 8.097 7.512 0.585 18166 6286 1 10 . 1 1 128 128 MET N N 128 120.493 120.493 119.292 1.201 18166 6287 1 10 . 1 1 128 128 MET HA H 128 3.989 3.989 3.861 0.128 18166 6288 1 10 . 1 1 128 128 MET CA C 128 58.420 58.420 58.632 -0.212 18166 6289 1 10 . 1 1 128 128 MET CB C 128 31.539 31.539 32.020 -0.481 18166 6290 1 10 . 1 1 128 128 MET H H 128 8.163 8.163 7.955 0.208 18166 6291 1 10 . 1 1 129 129 MET N N 129 115.583 115.583 116.066 -0.483 18166 6292 1 10 . 1 1 129 129 MET HA H 129 4.211 4.211 4.222 -0.011 18166 6293 1 10 . 1 1 129 129 MET CA C 129 56.677 56.677 57.550 -0.873 18166 6294 1 10 . 1 1 129 129 MET CB C 129 31.951 31.951 32.470 -0.519 18166 6295 1 10 . 1 1 129 129 MET H H 129 7.723 7.723 7.611 0.112 18166 6296 1 10 . 1 1 130 130 ALA N N 130 121.061 121.061 118.746 2.315 18166 6297 1 10 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.871 0.037 18166 6298 1 10 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.096 -1.016 18166 6299 1 10 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.950 -1.446 18166 6300 1 10 . 1 1 130 130 ALA H H 130 7.458 7.458 7.321 0.137 18166 6301 1 10 . 1 1 131 131 GLN N N 131 114.560 114.560 115.943 -1.383 18166 6302 1 10 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.115 -0.109 18166 6303 1 10 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.537 -0.734 18166 6304 1 10 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.062 0.043 18166 6305 1 10 . 1 1 131 131 GLN H H 131 7.214 7.214 7.230 -0.016 18166 6306 1 10 . 1 1 132 132 TYR N N 132 117.856 117.856 117.538 0.318 18166 6307 1 10 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.674 -0.032 18166 6308 1 10 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.485 2.073 18166 6309 1 10 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.717 1.595 18166 6310 1 10 . 1 1 132 132 TYR H H 132 7.545 7.545 7.280 0.265 18166 6311 1 11 . 1 1 2 2 GLY N N 2 109.986 109.986 108.709 1.277 18166 6312 1 11 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.197 -0.387 18166 6313 1 11 . 1 1 2 2 GLY H H 2 8.520 8.520 8.399 0.121 18166 6314 1 11 . 1 1 3 3 HIS N N 3 117.442 117.442 119.926 -2.484 18166 6315 1 11 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.892 -0.272 18166 6316 1 11 . 1 1 3 3 HIS CB C 3 28.428 28.428 31.479 -3.050 18166 6317 1 11 . 1 1 3 3 HIS H H 3 8.406 8.406 7.870 0.536 18166 6318 1 11 . 1 1 4 4 HIS N N 4 118.932 118.932 124.374 -5.442 18166 6319 1 11 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.251 0.377 18166 6320 1 11 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.624 -1.717 18166 6321 1 11 . 1 1 4 4 HIS CB C 4 28.198 28.198 29.480 -1.282 18166 6322 1 11 . 1 1 4 4 HIS H H 4 8.552 8.552 8.565 -0.013 18166 6323 1 11 . 1 1 5 5 HIS N N 5 119.580 119.580 116.694 2.886 18166 6324 1 11 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.598 0.050 18166 6325 1 11 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.766 -0.633 18166 6326 1 11 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.301 -1.540 18166 6327 1 11 . 1 1 5 5 HIS H H 5 8.615 8.615 8.111 0.504 18166 6328 1 11 . 1 1 6 6 HIS N N 6 121.369 121.369 121.740 -0.371 18166 6329 1 11 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.442 0.206 18166 6330 1 11 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.612 -0.663 18166 6331 1 11 . 1 1 6 6 HIS CB C 6 29.100 29.100 31.959 -2.859 18166 6332 1 11 . 1 1 6 6 HIS H H 6 8.732 8.732 8.477 0.255 18166 6333 1 11 . 1 1 7 7 HIS N N 7 120.276 120.276 124.154 -3.878 18166 6334 1 11 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.322 0.320 18166 6335 1 11 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.847 -1.700 18166 6336 1 11 . 1 1 7 7 HIS CB C 7 28.825 28.825 28.632 0.193 18166 6337 1 11 . 1 1 7 7 HIS H H 7 8.708 8.708 8.210 0.498 18166 6338 1 11 . 1 1 8 8 HIS N N 8 120.007 120.007 121.941 -1.934 18166 6339 1 11 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.967 -0.271 18166 6340 1 11 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.170 -0.309 18166 6341 1 11 . 1 1 8 8 HIS CB C 8 28.696 28.696 31.071 -2.375 18166 6342 1 11 . 1 1 8 8 HIS H H 8 8.708 8.708 7.419 1.289 18166 6343 1 11 . 1 1 9 9 SER N N 9 117.977 117.977 115.015 2.962 18166 6344 1 11 . 1 1 9 9 SER HA H 9 4.404 4.404 4.543 -0.139 18166 6345 1 11 . 1 1 9 9 SER CA C 9 57.718 57.718 57.740 -0.022 18166 6346 1 11 . 1 1 9 9 SER CB C 9 63.246 63.246 64.042 -0.796 18166 6347 1 11 . 1 1 9 9 SER H H 9 8.535 8.535 8.488 0.047 18166 6348 1 11 . 1 1 10 10 HIS N N 10 120.441 120.441 121.584 -1.143 18166 6349 1 11 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.468 0.227 18166 6350 1 11 . 1 1 10 10 HIS H H 10 8.744 8.744 8.563 0.181 18166 6351 1 11 . 1 1 11 11 MET N N 11 122.004 122.004 124.426 -2.422 18166 6352 1 11 . 1 1 11 11 MET HA H 11 4.427 4.427 4.375 0.052 18166 6353 1 11 . 1 1 11 11 MET CA C 11 54.665 54.665 55.912 -1.247 18166 6354 1 11 . 1 1 11 11 MET CB C 11 32.913 32.913 32.729 0.184 18166 6355 1 11 . 1 1 11 11 MET H H 11 8.443 8.443 8.379 0.064 18166 6356 1 11 . 1 1 12 12 ASN N N 12 121.852 121.852 118.951 2.901 18166 6357 1 11 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.660 0.277 18166 6358 1 11 . 1 1 12 12 ASN CA C 12 51.380 51.380 52.245 -0.865 18166 6359 1 11 . 1 1 12 12 ASN CB C 12 38.313 38.313 39.307 -0.994 18166 6360 1 11 . 1 1 12 12 ASN H H 12 8.631 8.631 8.183 0.448 18166 6361 1 11 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.225 0.135 18166 6362 1 11 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.497 -1.348 18166 6363 1 11 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.116 -0.364 18166 6364 1 11 . 1 1 14 14 ASP N N 14 119.643 119.643 116.143 3.500 18166 6365 1 11 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.782 -0.239 18166 6366 1 11 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.820 0.208 18166 6367 1 11 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.622 -1.860 18166 6368 1 11 . 1 1 14 14 ASP H H 14 8.344 8.344 7.720 0.624 18166 6369 1 11 . 1 1 15 15 LEU N N 15 123.333 123.333 126.160 -2.827 18166 6370 1 11 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.122 0.027 18166 6371 1 11 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.681 -1.238 18166 6372 1 11 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.848 -0.472 18166 6373 1 11 . 1 1 15 15 LEU H H 15 8.119 8.119 8.864 -0.745 18166 6374 1 11 . 1 1 16 16 ALA N N 16 121.879 121.879 120.742 1.137 18166 6375 1 11 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.076 0.038 18166 6376 1 11 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.641 -1.271 18166 6377 1 11 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.643 -0.595 18166 6378 1 11 . 1 1 16 16 ALA H H 16 8.212 8.212 8.115 0.097 18166 6379 1 11 . 1 1 17 17 LEU N N 17 118.990 118.990 115.623 3.367 18166 6380 1 11 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.276 -0.137 18166 6381 1 11 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.545 -1.436 18166 6382 1 11 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.006 -0.630 18166 6383 1 11 . 1 1 17 17 LEU H H 17 7.719 7.719 7.665 0.054 18166 6384 1 11 . 1 1 18 18 MET N N 18 118.534 118.534 117.915 0.619 18166 6385 1 11 . 1 1 18 18 MET HA H 18 4.274 4.274 4.353 -0.079 18166 6386 1 11 . 1 1 18 18 MET CA C 18 56.497 56.497 56.535 -0.038 18166 6387 1 11 . 1 1 18 18 MET CB C 18 31.787 31.787 31.492 0.295 18166 6388 1 11 . 1 1 18 18 MET H H 18 7.996 7.996 7.599 0.397 18166 6389 1 11 . 1 1 19 19 VAL N N 19 119.243 119.243 120.109 -0.866 18166 6390 1 11 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.736 0.097 18166 6391 1 11 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.550 -1.817 18166 6392 1 11 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.704 -0.048 18166 6393 1 11 . 1 1 19 19 VAL H H 19 7.915 7.915 7.993 -0.078 18166 6394 1 11 . 1 1 20 20 LYS N N 20 123.321 123.321 118.755 4.566 18166 6395 1 11 . 1 1 20 20 LYS HA H 20 3.977 3.977 3.999 -0.022 18166 6396 1 11 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.648 -1.305 18166 6397 1 11 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.710 0.286 18166 6398 1 11 . 1 1 20 20 LYS H H 20 8.139 8.139 7.621 0.518 18166 6399 1 11 . 1 1 21 21 ASN N N 21 118.732 118.732 119.114 -0.382 18166 6400 1 11 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.494 0.084 18166 6401 1 11 . 1 1 21 21 ASN CA C 21 54.240 54.240 55.759 -1.519 18166 6402 1 11 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.297 -0.558 18166 6403 1 11 . 1 1 21 21 ASN H H 21 8.349 8.349 7.787 0.562 18166 6404 1 11 . 1 1 22 22 LYS N N 22 121.941 121.941 120.199 1.742 18166 6405 1 11 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.443 -0.419 18166 6406 1 11 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.643 -0.333 18166 6407 1 11 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.695 -0.176 18166 6408 1 11 . 1 1 22 22 LYS H H 22 8.185 8.185 7.436 0.749 18166 6409 1 11 . 1 1 23 23 GLY N N 23 107.792 107.792 107.889 -0.097 18166 6410 1 11 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.631 1.135 18166 6411 1 11 . 1 1 23 23 GLY H H 23 8.336 8.336 7.920 0.416 18166 6412 1 11 . 1 1 24 24 ASN N N 24 120.049 120.049 120.839 -0.790 18166 6413 1 11 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.580 0.004 18166 6414 1 11 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.884 -0.683 18166 6415 1 11 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.949 -1.379 18166 6416 1 11 . 1 1 24 24 ASN H H 24 8.337 8.337 7.907 0.430 18166 6417 1 11 . 1 1 25 25 GLU N N 25 121.510 121.510 120.542 0.968 18166 6418 1 11 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.040 0.007 18166 6419 1 11 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.145 -0.168 18166 6420 1 11 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.290 -0.187 18166 6421 1 11 . 1 1 25 25 GLU H H 25 8.366 8.366 8.034 0.332 18166 6422 1 11 . 1 1 26 26 CYS N N 26 116.512 116.512 118.562 -2.050 18166 6423 1 11 . 1 1 26 26 CYS HA H 26 4.102 4.102 3.963 0.139 18166 6424 1 11 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.238 -0.234 18166 6425 1 11 . 1 1 26 26 CYS CB C 26 26.256 26.256 25.977 0.279 18166 6426 1 11 . 1 1 26 26 CYS H H 26 8.092 8.092 7.892 0.200 18166 6427 1 11 . 1 1 27 27 PHE N N 27 122.066 122.066 120.710 1.356 18166 6428 1 11 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.562 -0.810 18166 6429 1 11 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.929 0.550 18166 6430 1 11 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.878 1.024 18166 6431 1 11 . 1 1 27 27 PHE H H 27 8.756 8.756 7.668 1.088 18166 6432 1 11 . 1 1 28 28 GLN N N 28 119.430 119.430 118.392 1.038 18166 6433 1 11 . 1 1 28 28 GLN HA H 28 4.016 4.016 3.929 0.087 18166 6434 1 11 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.899 0.226 18166 6435 1 11 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.340 -0.130 18166 6436 1 11 . 1 1 28 28 GLN H H 28 8.574 8.574 7.821 0.753 18166 6437 1 11 . 1 1 29 29 LYS N N 29 116.011 116.011 116.650 -0.639 18166 6438 1 11 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.184 0.060 18166 6439 1 11 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.797 0.301 18166 6440 1 11 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.391 0.145 18166 6441 1 11 . 1 1 29 29 LYS H H 29 7.410 7.410 7.538 -0.128 18166 6442 1 11 . 1 1 30 30 GLY N N 30 107.636 107.636 107.521 0.115 18166 6443 1 11 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.623 -0.040 18166 6444 1 11 . 1 1 30 30 GLY H H 30 7.566 7.566 7.730 -0.164 18166 6445 1 11 . 1 1 31 31 ASP N N 31 120.587 120.587 122.419 -1.832 18166 6446 1 11 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.996 -0.328 18166 6447 1 11 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.492 -2.451 18166 6448 1 11 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.968 -1.250 18166 6449 1 11 . 1 1 31 31 ASP H H 31 7.826 7.826 7.633 0.193 18166 6450 1 11 . 1 1 32 32 TYR N N 32 120.190 120.190 125.797 -5.607 18166 6451 1 11 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.736 -0.964 18166 6452 1 11 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.725 -0.471 18166 6453 1 11 . 1 1 32 32 TYR H H 32 7.313 7.313 8.329 -1.016 18166 6454 1 11 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.591 -0.371 18166 6455 1 11 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.318 1.037 18166 6456 1 11 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.718 -0.431 18166 6457 1 11 . 1 1 34 34 GLN N N 34 115.797 115.797 117.475 -1.678 18166 6458 1 11 . 1 1 34 34 GLN HA H 34 3.925 3.925 4.140 -0.215 18166 6459 1 11 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.614 -0.449 18166 6460 1 11 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.398 0.980 18166 6461 1 11 . 1 1 34 34 GLN H H 34 7.278 7.278 8.960 -1.682 18166 6462 1 11 . 1 1 35 35 ALA N N 35 121.852 121.852 123.085 -1.233 18166 6463 1 11 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.184 -0.112 18166 6464 1 11 . 1 1 35 35 ALA CA C 35 55.597 55.597 55.257 0.340 18166 6465 1 11 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.483 0.062 18166 6466 1 11 . 1 1 35 35 ALA H H 35 8.376 8.376 7.820 0.556 18166 6467 1 11 . 1 1 36 36 MET N N 36 116.867 116.867 115.924 0.943 18166 6468 1 11 . 1 1 36 36 MET HA H 36 3.887 3.887 4.054 -0.167 18166 6469 1 11 . 1 1 36 36 MET CA C 36 59.400 59.400 59.206 0.194 18166 6470 1 11 . 1 1 36 36 MET CB C 36 30.626 30.626 32.313 -1.687 18166 6471 1 11 . 1 1 36 36 MET H H 36 8.538 8.538 8.086 0.452 18166 6472 1 11 . 1 1 37 37 LYS N N 37 122.037 122.037 119.051 2.986 18166 6473 1 11 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.082 -0.170 18166 6474 1 11 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.117 0.107 18166 6475 1 11 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.124 0.072 18166 6476 1 11 . 1 1 37 37 LYS H H 37 7.599 7.599 7.513 0.086 18166 6477 1 11 . 1 1 38 38 HIS N N 38 117.718 117.718 118.709 -0.991 18166 6478 1 11 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.708 -0.073 18166 6479 1 11 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.607 -0.607 18166 6480 1 11 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.703 -1.703 18166 6481 1 11 . 1 1 38 38 HIS H H 38 7.908 7.908 7.949 -0.041 18166 6482 1 11 . 1 1 39 39 TYR N N 39 118.987 118.987 118.268 0.719 18166 6483 1 11 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.463 0.002 18166 6484 1 11 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.609 -0.356 18166 6485 1 11 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.992 -1.201 18166 6486 1 11 . 1 1 39 39 TYR H H 39 9.156 9.156 8.526 0.630 18166 6487 1 11 . 1 1 40 40 THR N N 40 117.147 117.147 117.127 0.020 18166 6488 1 11 . 1 1 40 40 THR HA H 40 3.872 3.872 3.924 -0.052 18166 6489 1 11 . 1 1 40 40 THR CA C 40 67.449 67.449 67.055 0.394 18166 6490 1 11 . 1 1 40 40 THR CB C 40 68.728 68.728 68.369 0.359 18166 6491 1 11 . 1 1 40 40 THR H H 40 8.476 8.476 8.018 0.458 18166 6492 1 11 . 1 1 41 41 GLU N N 41 122.067 122.067 120.284 1.783 18166 6493 1 11 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.030 -0.051 18166 6494 1 11 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.220 -0.475 18166 6495 1 11 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.919 -0.196 18166 6496 1 11 . 1 1 41 41 GLU H H 41 7.762 7.762 7.842 -0.080 18166 6497 1 11 . 1 1 42 42 ALA N N 42 122.040 122.040 122.017 0.023 18166 6498 1 11 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.104 -0.135 18166 6499 1 11 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.562 0.606 18166 6500 1 11 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.558 -0.188 18166 6501 1 11 . 1 1 42 42 ALA H H 42 8.191 8.191 7.589 0.602 18166 6502 1 11 . 1 1 43 43 ILE N N 43 122.662 122.662 117.770 4.892 18166 6503 1 11 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.766 -0.450 18166 6504 1 11 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.638 0.960 18166 6505 1 11 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.853 0.634 18166 6506 1 11 . 1 1 43 43 ILE H H 43 8.427 8.427 8.020 0.407 18166 6507 1 11 . 1 1 44 44 LYS N N 44 117.349 117.349 117.206 0.143 18166 6508 1 11 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.059 -0.118 18166 6509 1 11 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.608 1.093 18166 6510 1 11 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.171 -0.180 18166 6511 1 11 . 1 1 44 44 LYS H H 44 7.473 7.473 7.744 -0.271 18166 6512 1 11 . 1 1 45 45 ARG N N 45 114.723 114.723 116.256 -1.533 18166 6513 1 11 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.391 -0.218 18166 6514 1 11 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.803 0.603 18166 6515 1 11 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.341 -1.004 18166 6516 1 11 . 1 1 45 45 ARG H H 45 7.150 7.150 7.575 -0.425 18166 6517 1 11 . 1 1 46 46 ASN N N 46 115.919 115.919 116.766 -0.847 18166 6518 1 11 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.157 -0.084 18166 6519 1 11 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.410 -0.252 18166 6520 1 11 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.420 -0.789 18166 6521 1 11 . 1 1 46 46 ASN H H 46 7.885 7.885 8.102 -0.217 18166 6522 1 11 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.579 0.153 18166 6523 1 11 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.290 -0.085 18166 6524 1 11 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.233 -0.280 18166 6525 1 11 . 1 1 48 48 LYS N N 48 118.494 118.494 116.908 1.586 18166 6526 1 11 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.434 0.201 18166 6527 1 11 . 1 1 48 48 LYS CA C 48 55.000 55.000 55.645 -0.645 18166 6528 1 11 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.121 -0.694 18166 6529 1 11 . 1 1 48 48 LYS H H 48 8.154 8.154 8.107 0.047 18166 6530 1 11 . 1 1 49 49 ASP N N 49 119.387 119.387 122.370 -2.983 18166 6531 1 11 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.596 0.094 18166 6532 1 11 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.999 -1.121 18166 6533 1 11 . 1 1 49 49 ASP CB C 49 40.026 40.026 39.910 0.116 18166 6534 1 11 . 1 1 49 49 ASP H H 49 7.317 7.317 7.709 -0.392 18166 6535 1 11 . 1 1 50 50 ALA N N 50 128.206 128.206 128.472 -0.266 18166 6536 1 11 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.056 -0.015 18166 6537 1 11 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.997 0.567 18166 6538 1 11 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.826 1.264 18166 6539 1 11 . 1 1 50 50 ALA H H 50 8.466 8.466 8.073 0.393 18166 6540 1 11 . 1 1 51 51 LYS N N 51 113.628 113.628 116.977 -3.349 18166 6541 1 11 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.232 -0.355 18166 6542 1 11 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.707 0.607 18166 6543 1 11 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.396 -0.076 18166 6544 1 11 . 1 1 51 51 LYS H H 51 7.985 7.985 8.533 -0.548 18166 6545 1 11 . 1 1 52 52 LEU N N 52 117.207 117.207 120.450 -3.243 18166 6546 1 11 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.939 -0.267 18166 6547 1 11 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.590 -0.312 18166 6548 1 11 . 1 1 52 52 LEU CB C 52 42.092 42.092 41.041 1.051 18166 6549 1 11 . 1 1 52 52 LEU H H 52 7.323 7.323 7.503 -0.180 18166 6550 1 11 . 1 1 53 53 TYR N N 53 116.167 116.167 117.980 -1.813 18166 6551 1 11 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.068 -0.190 18166 6552 1 11 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.382 0.191 18166 6553 1 11 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.673 0.474 18166 6554 1 11 . 1 1 53 53 TYR H H 53 6.955 6.955 7.383 -0.428 18166 6555 1 11 . 1 1 54 54 SER N N 54 112.799 112.799 114.211 -1.412 18166 6556 1 11 . 1 1 54 54 SER HA H 54 3.976 3.976 4.198 -0.222 18166 6557 1 11 . 1 1 54 54 SER CA C 54 61.200 61.200 60.527 0.673 18166 6558 1 11 . 1 1 54 54 SER CB C 54 62.184 62.184 62.865 -0.681 18166 6559 1 11 . 1 1 54 54 SER H H 54 7.661 7.661 8.414 -0.753 18166 6560 1 11 . 1 1 55 55 ASN N N 55 119.126 119.126 120.100 -0.974 18166 6561 1 11 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.237 -0.138 18166 6562 1 11 . 1 1 55 55 ASN CA C 55 55.241 55.241 56.209 -0.968 18166 6563 1 11 . 1 1 55 55 ASN CB C 55 36.277 36.277 38.263 -1.986 18166 6564 1 11 . 1 1 55 55 ASN H H 55 7.729 7.729 7.881 -0.152 18166 6565 1 11 . 1 1 56 56 ARG N N 56 122.589 122.589 118.622 3.967 18166 6566 1 11 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.537 0.596 18166 6567 1 11 . 1 1 56 56 ARG CA C 56 61.560 61.560 56.626 4.934 18166 6568 1 11 . 1 1 56 56 ARG CB C 56 29.069 29.069 28.740 0.329 18166 6569 1 11 . 1 1 56 56 ARG H H 56 8.329 8.329 7.103 1.226 18166 6570 1 11 . 1 1 57 57 ALA N N 57 122.569 122.569 121.364 1.205 18166 6571 1 11 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.162 0.098 18166 6572 1 11 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.794 1.281 18166 6573 1 11 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.256 1.633 18166 6574 1 11 . 1 1 57 57 ALA H H 57 8.857 8.857 7.982 0.875 18166 6575 1 11 . 1 1 58 58 ALA N N 58 120.015 120.015 120.213 -0.198 18166 6576 1 11 . 1 1 58 58 ALA HA H 58 4.083 4.083 3.961 0.122 18166 6577 1 11 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.964 0.086 18166 6578 1 11 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.440 -0.616 18166 6579 1 11 . 1 1 58 58 ALA H H 58 7.574 7.574 7.761 -0.187 18166 6580 1 11 . 1 1 59 59 CYS N N 59 117.074 117.074 115.761 1.313 18166 6581 1 11 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.174 -0.112 18166 6582 1 11 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.941 1.304 18166 6583 1 11 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.213 0.614 18166 6584 1 11 . 1 1 59 59 CYS H H 59 7.523 7.523 7.323 0.200 18166 6585 1 11 . 1 1 60 60 TYR N N 60 118.554 118.554 119.216 -0.662 18166 6586 1 11 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.184 0.103 18166 6587 1 11 . 1 1 60 60 TYR CA C 60 60.904 60.904 58.974 1.930 18166 6588 1 11 . 1 1 60 60 TYR CB C 60 38.277 38.277 36.882 1.395 18166 6589 1 11 . 1 1 60 60 TYR H H 60 8.684 8.684 8.239 0.445 18166 6590 1 11 . 1 1 61 61 THR N N 61 116.951 116.951 111.863 5.088 18166 6591 1 11 . 1 1 61 61 THR HA H 61 4.264 4.264 2.628 1.636 18166 6592 1 11 . 1 1 61 61 THR CA C 61 67.645 67.645 65.479 2.166 18166 6593 1 11 . 1 1 61 61 THR CB C 61 67.784 67.784 68.162 -0.378 18166 6594 1 11 . 1 1 61 61 THR H H 61 8.572 8.572 7.566 1.006 18166 6595 1 11 . 1 1 62 62 LYS N N 62 122.578 122.578 121.711 0.867 18166 6596 1 11 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.193 -0.269 18166 6597 1 11 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.178 -0.972 18166 6598 1 11 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.945 -1.151 18166 6599 1 11 . 1 1 62 62 LYS H H 62 7.410 7.410 7.673 -0.263 18166 6600 1 11 . 1 1 63 63 LEU N N 63 117.404 117.404 117.995 -0.591 18166 6601 1 11 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.350 -0.134 18166 6602 1 11 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.990 -0.945 18166 6603 1 11 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.449 -0.806 18166 6604 1 11 . 1 1 63 63 LEU H H 63 7.397 7.397 7.502 -0.105 18166 6605 1 11 . 1 1 64 64 LEU N N 64 113.668 113.668 115.020 -1.352 18166 6606 1 11 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.151 -1.181 18166 6607 1 11 . 1 1 64 64 LEU CA C 64 54.818 54.818 55.813 -0.995 18166 6608 1 11 . 1 1 64 64 LEU CB C 64 37.251 37.251 38.964 -1.713 18166 6609 1 11 . 1 1 64 64 LEU H H 64 7.457 7.457 7.542 -0.085 18166 6610 1 11 . 1 1 65 65 GLU N N 65 120.636 120.636 118.677 1.959 18166 6611 1 11 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.502 -0.099 18166 6612 1 11 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.670 -1.440 18166 6613 1 11 . 1 1 65 65 GLU CB C 65 27.090 27.090 28.343 -1.253 18166 6614 1 11 . 1 1 65 65 GLU H H 65 8.085 8.085 8.014 0.071 18166 6615 1 11 . 1 1 66 66 PHE N N 66 118.292 118.292 119.183 -0.891 18166 6616 1 11 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.147 -0.121 18166 6617 1 11 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.079 -1.090 18166 6618 1 11 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.832 -0.549 18166 6619 1 11 . 1 1 66 66 PHE H H 66 6.812 6.812 7.630 -0.818 18166 6620 1 11 . 1 1 67 67 GLN N N 67 117.166 117.166 117.802 -0.636 18166 6621 1 11 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.035 -0.052 18166 6622 1 11 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.862 -0.184 18166 6623 1 11 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.955 -1.111 18166 6624 1 11 . 1 1 67 67 GLN H H 67 8.589 8.589 8.569 0.020 18166 6625 1 11 . 1 1 68 68 LEU N N 68 119.871 119.871 119.255 0.616 18166 6626 1 11 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.986 -0.220 18166 6627 1 11 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.880 0.595 18166 6628 1 11 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.723 -2.703 18166 6629 1 11 . 1 1 68 68 LEU H H 68 7.422 7.422 7.922 -0.500 18166 6630 1 11 . 1 1 69 69 ALA N N 69 121.380 121.380 121.716 -0.336 18166 6631 1 11 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.252 -0.119 18166 6632 1 11 . 1 1 69 69 ALA CA C 69 55.828 55.828 54.823 1.005 18166 6633 1 11 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.540 -0.033 18166 6634 1 11 . 1 1 69 69 ALA H H 69 7.871 7.871 7.677 0.194 18166 6635 1 11 . 1 1 70 70 LEU N N 70 118.569 118.569 118.404 0.165 18166 6636 1 11 . 1 1 70 70 LEU HA H 70 3.814 3.814 4.059 -0.245 18166 6637 1 11 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.474 1.105 18166 6638 1 11 . 1 1 70 70 LEU CB C 70 40.926 40.926 42.131 -1.205 18166 6639 1 11 . 1 1 70 70 LEU H H 70 8.519 8.519 7.860 0.659 18166 6640 1 11 . 1 1 71 71 LYS N N 71 119.700 119.700 118.333 1.367 18166 6641 1 11 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.276 -0.299 18166 6642 1 11 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.883 0.312 18166 6643 1 11 . 1 1 71 71 LYS H H 71 7.619 7.619 8.165 -0.546 18166 6644 1 11 . 1 1 72 72 ASP N N 72 121.506 121.506 120.257 1.249 18166 6645 1 11 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.561 0.053 18166 6646 1 11 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.567 -0.274 18166 6647 1 11 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.875 -0.893 18166 6648 1 11 . 1 1 72 72 ASP H H 72 7.460 7.460 8.319 -0.859 18166 6649 1 11 . 1 1 73 73 CYS N N 73 118.302 118.302 117.026 1.276 18166 6650 1 11 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.260 -0.426 18166 6651 1 11 . 1 1 73 73 CYS CA C 73 64.687 64.687 62.031 2.656 18166 6652 1 11 . 1 1 73 73 CYS CB C 73 26.546 26.546 28.256 -1.710 18166 6653 1 11 . 1 1 73 73 CYS H H 73 8.366 8.366 8.061 0.305 18166 6654 1 11 . 1 1 74 74 GLU N N 74 117.660 117.660 120.257 -2.597 18166 6655 1 11 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.112 -0.211 18166 6656 1 11 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.752 -0.539 18166 6657 1 11 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.432 -1.416 18166 6658 1 11 . 1 1 74 74 GLU H H 74 8.244 8.244 8.176 0.068 18166 6659 1 11 . 1 1 75 75 GLU N N 75 119.807 119.807 117.796 2.011 18166 6660 1 11 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.186 -0.293 18166 6661 1 11 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.622 0.527 18166 6662 1 11 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.932 -3.258 18166 6663 1 11 . 1 1 75 75 GLU H H 75 7.394 7.394 8.007 -0.613 18166 6664 1 11 . 1 1 76 76 CYS N N 76 118.342 118.342 119.840 -1.498 18166 6665 1 11 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.864 -0.023 18166 6666 1 11 . 1 1 76 76 CYS CA C 76 64.303 64.303 60.881 3.422 18166 6667 1 11 . 1 1 76 76 CYS CB C 76 26.371 26.371 25.790 0.581 18166 6668 1 11 . 1 1 76 76 CYS H H 76 7.852 7.852 7.584 0.268 18166 6669 1 11 . 1 1 77 77 ILE N N 77 117.728 117.728 120.222 -2.494 18166 6670 1 11 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.274 -0.794 18166 6671 1 11 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.090 0.119 18166 6672 1 11 . 1 1 77 77 ILE CB C 77 38.549 38.549 38.091 0.458 18166 6673 1 11 . 1 1 77 77 ILE H H 77 7.897 7.897 7.565 0.332 18166 6674 1 11 . 1 1 78 78 GLN N N 78 117.037 117.037 117.382 -0.345 18166 6675 1 11 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.117 -0.212 18166 6676 1 11 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.808 0.406 18166 6677 1 11 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.924 -0.574 18166 6678 1 11 . 1 1 78 78 GLN H H 78 7.655 7.655 8.034 -0.379 18166 6679 1 11 . 1 1 79 79 LEU N N 79 118.180 118.180 118.413 -0.233 18166 6680 1 11 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.296 -0.201 18166 6681 1 11 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.884 0.631 18166 6682 1 11 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.247 0.797 18166 6683 1 11 . 1 1 79 79 LEU H H 79 8.021 8.021 7.262 0.759 18166 6684 1 11 . 1 1 80 80 GLU N N 80 117.250 117.250 117.022 0.228 18166 6685 1 11 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.805 0.031 18166 6686 1 11 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.249 0.293 18166 6687 1 11 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.233 -0.454 18166 6688 1 11 . 1 1 80 80 GLU H H 80 8.403 8.403 7.790 0.613 18166 6689 1 11 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.658 0.208 18166 6690 1 11 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.675 0.070 18166 6691 1 11 . 1 1 81 81 PRO CB C 81 31.752 31.752 33.208 -1.456 18166 6692 1 11 . 1 1 82 82 THR N N 82 107.443 107.443 110.810 -3.367 18166 6693 1 11 . 1 1 82 82 THR HA H 82 4.607 4.607 4.546 0.061 18166 6694 1 11 . 1 1 82 82 THR CA C 82 61.139 61.139 60.228 0.911 18166 6695 1 11 . 1 1 82 82 THR CB C 82 68.785 68.785 68.892 -0.107 18166 6696 1 11 . 1 1 82 82 THR H H 82 8.129 8.129 8.001 0.128 18166 6697 1 11 . 1 1 83 83 PHE N N 83 123.490 123.490 120.994 2.496 18166 6698 1 11 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.651 0.479 18166 6699 1 11 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.324 -0.612 18166 6700 1 11 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.245 0.019 18166 6701 1 11 . 1 1 83 83 PHE H H 83 8.022 8.022 7.881 0.141 18166 6702 1 11 . 1 1 84 84 ILE N N 84 131.837 131.837 124.926 6.911 18166 6703 1 11 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.898 0.052 18166 6704 1 11 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.389 -0.159 18166 6705 1 11 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.923 0.046 18166 6706 1 11 . 1 1 84 84 ILE H H 84 8.955 8.955 8.137 0.818 18166 6707 1 11 . 1 1 85 85 LYS N N 85 115.465 115.465 118.442 -2.977 18166 6708 1 11 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.298 0.160 18166 6709 1 11 . 1 1 85 85 LYS CA C 85 56.336 56.336 57.137 -0.801 18166 6710 1 11 . 1 1 85 85 LYS CB C 85 31.481 31.481 30.982 0.499 18166 6711 1 11 . 1 1 85 85 LYS H H 85 6.000 6.000 8.277 -2.277 18166 6712 1 11 . 1 1 86 86 GLY N N 86 103.958 103.958 106.995 -3.037 18166 6713 1 11 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.593 1.568 18166 6714 1 11 . 1 1 86 86 GLY H H 86 6.966 6.966 7.659 -0.693 18166 6715 1 11 . 1 1 87 87 TYR N N 87 115.851 115.851 121.232 -5.381 18166 6716 1 11 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.233 -0.293 18166 6717 1 11 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.840 -0.643 18166 6718 1 11 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.946 0.288 18166 6719 1 11 . 1 1 87 87 TYR H H 87 6.814 6.814 7.361 -0.547 18166 6720 1 11 . 1 1 88 88 THR N N 88 109.840 109.840 115.524 -5.684 18166 6721 1 11 . 1 1 88 88 THR HA H 88 4.328 4.328 3.974 0.354 18166 6722 1 11 . 1 1 88 88 THR CA C 88 66.353 66.353 67.202 -0.849 18166 6723 1 11 . 1 1 88 88 THR CB C 88 66.371 66.371 68.651 -2.280 18166 6724 1 11 . 1 1 88 88 THR H H 88 8.318 8.318 7.730 0.588 18166 6725 1 11 . 1 1 89 89 ARG N N 89 121.855 121.855 118.903 2.952 18166 6726 1 11 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.365 -0.288 18166 6727 1 11 . 1 1 89 89 ARG CA C 89 59.029 59.029 56.748 2.281 18166 6728 1 11 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.186 0.088 18166 6729 1 11 . 1 1 89 89 ARG H H 89 8.320 8.320 7.880 0.440 18166 6730 1 11 . 1 1 90 90 LYS N N 90 124.436 124.436 121.927 2.509 18166 6731 1 11 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.011 -0.082 18166 6732 1 11 . 1 1 90 90 LYS CA C 90 59.862 59.862 59.300 0.562 18166 6733 1 11 . 1 1 90 90 LYS H H 90 7.379 7.379 8.059 -0.680 18166 6734 1 11 . 1 1 91 91 ALA N N 91 121.179 121.179 120.017 1.162 18166 6735 1 11 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.889 -0.397 18166 6736 1 11 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.715 0.338 18166 6737 1 11 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.580 -2.135 18166 6738 1 11 . 1 1 91 91 ALA H H 91 8.460 8.460 7.620 0.840 18166 6739 1 11 . 1 1 92 92 ALA N N 92 118.165 118.165 121.486 -3.321 18166 6740 1 11 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.273 -0.149 18166 6741 1 11 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.902 -0.035 18166 6742 1 11 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.608 -0.588 18166 6743 1 11 . 1 1 92 92 ALA H H 92 7.871 7.871 7.678 0.193 18166 6744 1 11 . 1 1 93 93 ALA N N 93 123.065 123.065 121.702 1.363 18166 6745 1 11 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.385 -0.395 18166 6746 1 11 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.978 0.359 18166 6747 1 11 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.486 -1.865 18166 6748 1 11 . 1 1 93 93 ALA H H 93 7.649 7.649 7.884 -0.235 18166 6749 1 11 . 1 1 94 94 LEU N N 94 117.762 117.762 119.371 -1.609 18166 6750 1 11 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.862 0.254 18166 6751 1 11 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.627 0.023 18166 6752 1 11 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.523 0.279 18166 6753 1 11 . 1 1 94 94 LEU H H 94 7.847 7.847 8.228 -0.381 18166 6754 1 11 . 1 1 95 95 GLU N N 95 121.139 121.139 118.921 2.218 18166 6755 1 11 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.064 -0.709 18166 6756 1 11 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.508 -0.380 18166 6757 1 11 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.753 -0.360 18166 6758 1 11 . 1 1 95 95 GLU H H 95 8.971 8.971 8.338 0.633 18166 6759 1 11 . 1 1 96 96 ALA N N 96 124.630 124.630 119.888 4.742 18166 6760 1 11 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.112 -0.161 18166 6761 1 11 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.738 0.834 18166 6762 1 11 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.431 -1.072 18166 6763 1 11 . 1 1 96 96 ALA H H 96 7.890 7.890 7.628 0.262 18166 6764 1 11 . 1 1 97 97 MET N N 97 115.484 115.484 117.073 -1.589 18166 6765 1 11 . 1 1 97 97 MET HA H 97 3.714 3.714 4.430 -0.716 18166 6766 1 11 . 1 1 97 97 MET CA C 97 56.071 56.071 53.789 2.282 18166 6767 1 11 . 1 1 97 97 MET CB C 97 33.654 33.654 31.983 1.671 18166 6768 1 11 . 1 1 97 97 MET H H 97 7.155 7.155 7.448 -0.293 18166 6769 1 11 . 1 1 98 98 LYS N N 98 112.882 112.882 114.495 -1.613 18166 6770 1 11 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.269 -0.539 18166 6771 1 11 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.439 -0.687 18166 6772 1 11 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.125 -1.004 18166 6773 1 11 . 1 1 98 98 LYS H H 98 7.597 7.597 7.523 0.074 18166 6774 1 11 . 1 1 99 99 ASP N N 99 120.642 120.642 120.683 -0.041 18166 6775 1 11 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.741 0.096 18166 6776 1 11 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.356 -2.594 18166 6777 1 11 . 1 1 99 99 ASP CB C 99 37.679 37.679 38.949 -1.270 18166 6778 1 11 . 1 1 99 99 ASP H H 99 7.888 7.888 8.105 -0.217 18166 6779 1 11 . 1 1 100 100 TYR N N 100 117.948 117.948 119.552 -1.604 18166 6780 1 11 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.201 -0.256 18166 6781 1 11 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.448 1.486 18166 6782 1 11 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.180 0.459 18166 6783 1 11 . 1 1 100 100 TYR H H 100 6.984 6.984 7.177 -0.193 18166 6784 1 11 . 1 1 101 101 THR N N 101 113.752 113.752 109.351 4.401 18166 6785 1 11 . 1 1 101 101 THR HA H 101 4.008 4.008 4.083 -0.075 18166 6786 1 11 . 1 1 101 101 THR CA C 101 65.857 65.857 65.273 0.584 18166 6787 1 11 . 1 1 101 101 THR CB C 101 67.689 67.689 68.340 -0.651 18166 6788 1 11 . 1 1 101 101 THR H H 101 8.543 8.543 8.458 0.085 18166 6789 1 11 . 1 1 102 102 LYS N N 102 120.641 120.641 120.450 0.191 18166 6790 1 11 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.758 -0.616 18166 6791 1 11 . 1 1 102 102 LYS CA C 102 59.086 59.086 56.910 2.176 18166 6792 1 11 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.287 -0.108 18166 6793 1 11 . 1 1 102 102 LYS H H 102 7.348 7.348 7.693 -0.345 18166 6794 1 11 . 1 1 103 103 ALA N N 103 120.302 120.302 123.671 -3.369 18166 6795 1 11 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.003 -0.338 18166 6796 1 11 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.310 0.346 18166 6797 1 11 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.658 0.231 18166 6798 1 11 . 1 1 103 103 ALA H H 103 8.344 8.344 8.418 -0.074 18166 6799 1 11 . 1 1 104 104 MET N N 104 116.430 116.430 115.511 0.919 18166 6800 1 11 . 1 1 104 104 MET HA H 104 3.939 3.939 4.476 -0.537 18166 6801 1 11 . 1 1 104 104 MET CA C 104 61.020 61.020 59.441 1.579 18166 6802 1 11 . 1 1 104 104 MET CB C 104 33.904 33.904 32.310 1.594 18166 6803 1 11 . 1 1 104 104 MET H H 104 8.375 8.375 8.317 0.058 18166 6804 1 11 . 1 1 105 105 ASP N N 105 117.449 117.449 120.617 -3.168 18166 6805 1 11 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.460 0.050 18166 6806 1 11 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.596 -0.483 18166 6807 1 11 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.380 -0.171 18166 6808 1 11 . 1 1 105 105 ASP H H 105 7.319 7.319 8.413 -1.094 18166 6809 1 11 . 1 1 106 106 VAL N N 106 121.168 121.168 120.005 1.163 18166 6810 1 11 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.751 -0.001 18166 6811 1 11 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.460 0.520 18166 6812 1 11 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.691 -0.930 18166 6813 1 11 . 1 1 106 106 VAL H H 106 7.825 7.825 7.558 0.267 18166 6814 1 11 . 1 1 107 107 TYR N N 107 120.714 120.714 119.994 0.720 18166 6815 1 11 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.158 0.113 18166 6816 1 11 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.697 0.756 18166 6817 1 11 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.680 0.474 18166 6818 1 11 . 1 1 107 107 TYR H H 107 9.215 9.215 8.433 0.782 18166 6819 1 11 . 1 1 108 108 GLN N N 108 117.293 117.293 118.792 -1.499 18166 6820 1 11 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.778 0.055 18166 6821 1 11 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.897 -0.195 18166 6822 1 11 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.287 -0.042 18166 6823 1 11 . 1 1 108 108 GLN H H 108 8.605 8.605 7.893 0.712 18166 6824 1 11 . 1 1 109 109 LYS N N 109 120.342 120.342 118.220 2.122 18166 6825 1 11 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.009 -0.007 18166 6826 1 11 . 1 1 109 109 LYS CA C 109 58.537 58.537 57.842 0.695 18166 6827 1 11 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.791 -0.769 18166 6828 1 11 . 1 1 109 109 LYS H H 109 7.571 7.571 7.987 -0.416 18166 6829 1 11 . 1 1 110 110 ALA N N 110 119.851 119.851 122.708 -2.857 18166 6830 1 11 . 1 1 110 110 ALA HA H 110 3.779 3.779 4.014 -0.235 18166 6831 1 11 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.017 0.035 18166 6832 1 11 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.125 -0.437 18166 6833 1 11 . 1 1 110 110 ALA H H 110 7.693 7.693 7.655 0.038 18166 6834 1 11 . 1 1 111 111 LEU N N 111 117.859 117.859 117.519 0.340 18166 6835 1 11 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.019 0.058 18166 6836 1 11 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.209 -0.998 18166 6837 1 11 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.782 0.027 18166 6838 1 11 . 1 1 111 111 LEU H H 111 7.811 7.811 8.024 -0.213 18166 6839 1 11 . 1 1 112 112 ASP N N 112 118.421 118.421 118.273 0.148 18166 6840 1 11 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.435 -0.184 18166 6841 1 11 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.386 -0.625 18166 6842 1 11 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.196 -2.001 18166 6843 1 11 . 1 1 112 112 ASP H H 112 8.099 8.099 7.719 0.380 18166 6844 1 11 . 1 1 113 113 LEU N N 113 120.299 120.299 119.246 1.053 18166 6845 1 11 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.068 0.089 18166 6846 1 11 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.759 -0.225 18166 6847 1 11 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.546 -0.067 18166 6848 1 11 . 1 1 113 113 LEU H H 113 7.319 7.319 7.571 -0.252 18166 6849 1 11 . 1 1 114 114 ASP N N 114 118.196 118.196 113.191 5.005 18166 6850 1 11 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.770 -0.132 18166 6851 1 11 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.822 -0.633 18166 6852 1 11 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.891 -1.624 18166 6853 1 11 . 1 1 114 114 ASP H H 114 8.190 8.190 7.652 0.538 18166 6854 1 11 . 1 1 115 115 SER N N 115 121.421 121.421 119.977 1.444 18166 6855 1 11 . 1 1 115 115 SER HA H 115 4.272 4.272 4.258 0.014 18166 6856 1 11 . 1 1 115 115 SER CA C 115 60.133 60.133 60.645 -0.512 18166 6857 1 11 . 1 1 115 115 SER CB C 115 62.791 62.791 63.142 -0.352 18166 6858 1 11 . 1 1 115 115 SER H H 115 8.775 8.775 8.723 0.052 18166 6859 1 11 . 1 1 116 116 SER N N 116 116.860 116.860 117.451 -0.591 18166 6860 1 11 . 1 1 116 116 SER HA H 116 4.481 4.481 4.326 0.155 18166 6861 1 11 . 1 1 116 116 SER CA C 116 57.961 57.961 59.847 -1.886 18166 6862 1 11 . 1 1 116 116 SER CB C 116 63.960 63.960 62.555 1.405 18166 6863 1 11 . 1 1 116 116 SER H H 116 8.404 8.404 8.349 0.055 18166 6864 1 11 . 1 1 117 117 CYS N N 117 121.814 121.814 120.184 1.630 18166 6865 1 11 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.548 -0.237 18166 6866 1 11 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.076 0.896 18166 6867 1 11 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.404 -0.538 18166 6868 1 11 . 1 1 117 117 CYS H H 117 7.401 7.401 7.896 -0.495 18166 6869 1 11 . 1 1 118 118 LYS N N 118 105.939 105.939 121.250 -15.311 18166 6870 1 11 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.945 0.027 18166 6871 1 11 . 1 1 118 118 LYS CA C 118 58.867 58.867 58.983 -0.116 18166 6872 1 11 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.772 0.584 18166 6873 1 11 . 1 1 118 118 LYS H H 118 8.647 8.647 8.066 0.581 18166 6874 1 11 . 1 1 119 119 GLU N N 119 117.724 117.724 117.827 -0.103 18166 6875 1 11 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.105 0.026 18166 6876 1 11 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.845 0.155 18166 6877 1 11 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.984 0.488 18166 6878 1 11 . 1 1 119 119 GLU H H 119 8.998 8.998 8.375 0.623 18166 6879 1 11 . 1 1 120 120 ALA N N 120 120.855 120.855 120.979 -0.124 18166 6880 1 11 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.266 0.102 18166 6881 1 11 . 1 1 120 120 ALA CA C 120 53.306 53.306 53.957 -0.651 18166 6882 1 11 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.641 -0.528 18166 6883 1 11 . 1 1 120 120 ALA H H 120 7.494 7.494 8.174 -0.680 18166 6884 1 11 . 1 1 121 121 ALA N N 121 123.265 123.265 121.675 1.590 18166 6885 1 11 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.087 -0.092 18166 6886 1 11 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.907 -0.115 18166 6887 1 11 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.464 -0.660 18166 6888 1 11 . 1 1 121 121 ALA H H 121 7.914 7.914 7.745 0.169 18166 6889 1 11 . 1 1 122 122 ASP N N 122 118.732 118.732 118.688 0.044 18166 6890 1 11 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.289 -0.018 18166 6891 1 11 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.614 -1.372 18166 6892 1 11 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.721 -1.605 18166 6893 1 11 . 1 1 122 122 ASP H H 122 8.964 8.964 7.753 1.211 18166 6894 1 11 . 1 1 123 123 GLY N N 123 108.568 108.568 106.511 2.057 18166 6895 1 11 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.401 0.213 18166 6896 1 11 . 1 1 123 123 GLY H H 123 7.572 7.572 7.505 0.067 18166 6897 1 11 . 1 1 124 124 TYR N N 124 122.944 122.944 123.331 -0.387 18166 6898 1 11 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.650 -0.036 18166 6899 1 11 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.429 2.755 18166 6900 1 11 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.152 -0.255 18166 6901 1 11 . 1 1 124 124 TYR H H 124 8.162 8.162 7.724 0.438 18166 6902 1 11 . 1 1 125 125 GLN N N 125 115.988 115.988 117.249 -1.261 18166 6903 1 11 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.655 0.220 18166 6904 1 11 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.468 0.152 18166 6905 1 11 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.913 0.224 18166 6906 1 11 . 1 1 125 125 GLN H H 125 7.510 7.510 7.872 -0.362 18166 6907 1 11 . 1 1 126 126 ARG N N 126 118.626 118.626 119.367 -0.741 18166 6908 1 11 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.027 -0.094 18166 6909 1 11 . 1 1 126 126 ARG CA C 126 59.817 59.817 59.002 0.815 18166 6910 1 11 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.261 0.831 18166 6911 1 11 . 1 1 126 126 ARG H H 126 8.139 8.139 7.428 0.711 18166 6912 1 11 . 1 1 127 127 CYS N N 127 116.985 116.985 117.905 -0.920 18166 6913 1 11 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.092 -0.203 18166 6914 1 11 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.180 1.783 18166 6915 1 11 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.045 -0.279 18166 6916 1 11 . 1 1 127 127 CYS H H 127 8.097 8.097 7.450 0.647 18166 6917 1 11 . 1 1 128 128 MET N N 128 120.493 120.493 118.224 2.269 18166 6918 1 11 . 1 1 128 128 MET HA H 128 3.989 3.989 3.841 0.148 18166 6919 1 11 . 1 1 128 128 MET CA C 128 58.420 58.420 58.454 -0.034 18166 6920 1 11 . 1 1 128 128 MET CB C 128 31.539 31.539 31.891 -0.352 18166 6921 1 11 . 1 1 128 128 MET H H 128 8.163 8.163 7.842 0.321 18166 6922 1 11 . 1 1 129 129 MET N N 129 115.583 115.583 117.712 -2.129 18166 6923 1 11 . 1 1 129 129 MET HA H 129 4.211 4.211 4.268 -0.057 18166 6924 1 11 . 1 1 129 129 MET CA C 129 56.677 56.677 57.558 -0.881 18166 6925 1 11 . 1 1 129 129 MET CB C 129 31.951 31.951 32.159 -0.208 18166 6926 1 11 . 1 1 129 129 MET H H 129 7.723 7.723 7.501 0.222 18166 6927 1 11 . 1 1 130 130 ALA N N 130 121.061 121.061 122.054 -0.993 18166 6928 1 11 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.795 0.113 18166 6929 1 11 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.580 -1.500 18166 6930 1 11 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.628 -1.124 18166 6931 1 11 . 1 1 130 130 ALA H H 130 7.458 7.458 7.723 -0.265 18166 6932 1 11 . 1 1 131 131 GLN N N 131 114.560 114.560 116.286 -1.726 18166 6933 1 11 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.174 -0.168 18166 6934 1 11 . 1 1 131 131 GLN CA C 131 56.803 56.803 58.047 -1.244 18166 6935 1 11 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.815 0.290 18166 6936 1 11 . 1 1 131 131 GLN H H 131 7.214 7.214 7.657 -0.443 18166 6937 1 11 . 1 1 132 132 TYR N N 132 117.856 117.856 117.947 -0.091 18166 6938 1 11 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.705 -0.063 18166 6939 1 11 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.076 2.482 18166 6940 1 11 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.742 1.570 18166 6941 1 11 . 1 1 132 132 TYR H H 132 7.545 7.545 7.447 0.098 18166 6942 1 12 . 1 1 2 2 GLY N N 2 109.986 109.986 109.702 0.284 18166 6943 1 12 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.902 -0.092 18166 6944 1 12 . 1 1 2 2 GLY H H 2 8.520 8.520 8.331 0.189 18166 6945 1 12 . 1 1 3 3 HIS N N 3 117.442 117.442 122.926 -5.484 18166 6946 1 12 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.696 -0.076 18166 6947 1 12 . 1 1 3 3 HIS CB C 3 28.428 28.428 29.967 -1.539 18166 6948 1 12 . 1 1 3 3 HIS H H 3 8.406 8.406 7.909 0.497 18166 6949 1 12 . 1 1 4 4 HIS N N 4 118.932 118.932 121.151 -2.219 18166 6950 1 12 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.257 0.371 18166 6951 1 12 . 1 1 4 4 HIS CA C 4 54.907 54.907 57.267 -2.360 18166 6952 1 12 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.864 -2.666 18166 6953 1 12 . 1 1 4 4 HIS H H 4 8.552 8.552 8.658 -0.106 18166 6954 1 12 . 1 1 5 5 HIS N N 5 119.580 119.580 117.973 1.607 18166 6955 1 12 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.460 0.188 18166 6956 1 12 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.331 -1.198 18166 6957 1 12 . 1 1 5 5 HIS CB C 5 28.761 28.761 29.637 -0.876 18166 6958 1 12 . 1 1 5 5 HIS H H 5 8.615 8.615 7.921 0.694 18166 6959 1 12 . 1 1 6 6 HIS N N 6 121.369 121.369 121.250 0.119 18166 6960 1 12 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.565 0.083 18166 6961 1 12 . 1 1 6 6 HIS CA C 6 54.949 54.949 54.883 0.066 18166 6962 1 12 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.991 -1.891 18166 6963 1 12 . 1 1 6 6 HIS H H 6 8.732 8.732 8.575 0.157 18166 6964 1 12 . 1 1 7 7 HIS N N 7 120.276 120.276 120.372 -0.096 18166 6965 1 12 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.277 0.365 18166 6966 1 12 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.944 -1.797 18166 6967 1 12 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.182 -1.357 18166 6968 1 12 . 1 1 7 7 HIS H H 7 8.708 8.708 8.603 0.105 18166 6969 1 12 . 1 1 8 8 HIS N N 8 120.007 120.007 125.865 -5.858 18166 6970 1 12 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.653 0.043 18166 6971 1 12 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.003 -1.142 18166 6972 1 12 . 1 1 8 8 HIS CB C 8 28.696 28.696 28.748 -0.052 18166 6973 1 12 . 1 1 8 8 HIS H H 8 8.708 8.708 8.465 0.243 18166 6974 1 12 . 1 1 9 9 SER N N 9 117.977 117.977 116.647 1.330 18166 6975 1 12 . 1 1 9 9 SER HA H 9 4.404 4.404 4.616 -0.212 18166 6976 1 12 . 1 1 9 9 SER CA C 9 57.718 57.718 58.672 -0.954 18166 6977 1 12 . 1 1 9 9 SER CB C 9 63.246 63.246 63.592 -0.346 18166 6978 1 12 . 1 1 9 9 SER H H 9 8.535 8.535 8.046 0.489 18166 6979 1 12 . 1 1 10 10 HIS N N 10 120.441 120.441 119.655 0.786 18166 6980 1 12 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.809 -0.114 18166 6981 1 12 . 1 1 10 10 HIS H H 10 8.744 8.744 7.605 1.139 18166 6982 1 12 . 1 1 11 11 MET N N 11 122.004 122.004 122.152 -0.148 18166 6983 1 12 . 1 1 11 11 MET HA H 11 4.427 4.427 4.301 0.126 18166 6984 1 12 . 1 1 11 11 MET CA C 11 54.665 54.665 57.007 -2.342 18166 6985 1 12 . 1 1 11 11 MET CB C 11 32.913 32.913 32.870 0.043 18166 6986 1 12 . 1 1 11 11 MET H H 11 8.443 8.443 8.303 0.140 18166 6987 1 12 . 1 1 12 12 ASN N N 12 121.852 121.852 115.996 5.856 18166 6988 1 12 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.090 -0.153 18166 6989 1 12 . 1 1 12 12 ASN CA C 12 51.380 51.380 50.814 0.566 18166 6990 1 12 . 1 1 12 12 ASN CB C 12 38.313 38.313 39.047 -0.734 18166 6991 1 12 . 1 1 12 12 ASN H H 12 8.631 8.631 8.174 0.457 18166 6992 1 12 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.327 0.033 18166 6993 1 12 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.703 -1.554 18166 6994 1 12 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.185 -0.433 18166 6995 1 12 . 1 1 14 14 ASP N N 14 119.643 119.643 115.112 4.531 18166 6996 1 12 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.637 -0.094 18166 6997 1 12 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.979 0.049 18166 6998 1 12 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.046 -1.284 18166 6999 1 12 . 1 1 14 14 ASP H H 14 8.344 8.344 7.859 0.485 18166 7000 1 12 . 1 1 15 15 LEU N N 15 123.333 123.333 125.935 -2.602 18166 7001 1 12 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.126 0.023 18166 7002 1 12 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.600 -1.157 18166 7003 1 12 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.936 -0.560 18166 7004 1 12 . 1 1 15 15 LEU H H 15 8.119 8.119 8.715 -0.596 18166 7005 1 12 . 1 1 16 16 ALA N N 16 121.879 121.879 120.748 1.131 18166 7006 1 12 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.142 -0.028 18166 7007 1 12 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.663 -1.293 18166 7008 1 12 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.208 -0.160 18166 7009 1 12 . 1 1 16 16 ALA H H 16 8.212 8.212 7.937 0.275 18166 7010 1 12 . 1 1 17 17 LEU N N 17 118.990 118.990 115.933 3.057 18166 7011 1 12 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.335 -0.196 18166 7012 1 12 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.510 -1.401 18166 7013 1 12 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.086 -0.710 18166 7014 1 12 . 1 1 17 17 LEU H H 17 7.719 7.719 7.642 0.077 18166 7015 1 12 . 1 1 18 18 MET N N 18 118.534 118.534 117.096 1.438 18166 7016 1 12 . 1 1 18 18 MET HA H 18 4.274 4.274 4.368 -0.094 18166 7017 1 12 . 1 1 18 18 MET CA C 18 56.497 56.497 56.562 -0.065 18166 7018 1 12 . 1 1 18 18 MET CB C 18 31.787 31.787 32.238 -0.451 18166 7019 1 12 . 1 1 18 18 MET H H 18 7.996 7.996 7.589 0.407 18166 7020 1 12 . 1 1 19 19 VAL N N 19 119.243 119.243 119.201 0.042 18166 7021 1 12 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.740 0.093 18166 7022 1 12 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.382 -1.648 18166 7023 1 12 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.554 0.102 18166 7024 1 12 . 1 1 19 19 VAL H H 19 7.915 7.915 7.882 0.033 18166 7025 1 12 . 1 1 20 20 LYS N N 20 123.321 123.321 118.428 4.893 18166 7026 1 12 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.160 -0.183 18166 7027 1 12 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.052 -0.709 18166 7028 1 12 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.669 0.327 18166 7029 1 12 . 1 1 20 20 LYS H H 20 8.139 8.139 7.618 0.521 18166 7030 1 12 . 1 1 21 21 ASN N N 21 118.732 118.732 118.203 0.529 18166 7031 1 12 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.666 -0.088 18166 7032 1 12 . 1 1 21 21 ASN CA C 21 54.240 54.240 55.891 -1.651 18166 7033 1 12 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.080 -0.341 18166 7034 1 12 . 1 1 21 21 ASN H H 21 8.349 8.349 7.726 0.623 18166 7035 1 12 . 1 1 22 22 LYS N N 22 121.941 121.941 118.797 3.144 18166 7036 1 12 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.356 -0.332 18166 7037 1 12 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.102 0.208 18166 7038 1 12 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.196 0.323 18166 7039 1 12 . 1 1 22 22 LYS H H 22 8.185 8.185 7.515 0.670 18166 7040 1 12 . 1 1 23 23 GLY N N 23 107.792 107.792 109.252 -1.460 18166 7041 1 12 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.929 0.837 18166 7042 1 12 . 1 1 23 23 GLY H H 23 8.336 8.336 7.706 0.630 18166 7043 1 12 . 1 1 24 24 ASN N N 24 120.049 120.049 120.065 -0.016 18166 7044 1 12 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.540 0.044 18166 7045 1 12 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.303 -0.102 18166 7046 1 12 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.657 -1.087 18166 7047 1 12 . 1 1 24 24 ASN H H 24 8.337 8.337 7.787 0.550 18166 7048 1 12 . 1 1 25 25 GLU N N 25 121.510 121.510 121.297 0.213 18166 7049 1 12 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.149 -0.102 18166 7050 1 12 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.304 -0.328 18166 7051 1 12 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.350 -0.247 18166 7052 1 12 . 1 1 25 25 GLU H H 25 8.366 8.366 8.077 0.289 18166 7053 1 12 . 1 1 26 26 CYS N N 26 116.512 116.512 118.245 -1.733 18166 7054 1 12 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.133 -0.031 18166 7055 1 12 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.292 -0.288 18166 7056 1 12 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.841 -0.585 18166 7057 1 12 . 1 1 26 26 CYS H H 26 8.092 8.092 7.959 0.133 18166 7058 1 12 . 1 1 27 27 PHE N N 27 122.066 122.066 120.118 1.948 18166 7059 1 12 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.232 -0.480 18166 7060 1 12 . 1 1 27 27 PHE CA C 27 61.480 61.480 62.013 -0.533 18166 7061 1 12 . 1 1 27 27 PHE CB C 27 39.902 39.902 39.237 0.665 18166 7062 1 12 . 1 1 27 27 PHE H H 27 8.756 8.756 7.585 1.171 18166 7063 1 12 . 1 1 28 28 GLN N N 28 119.430 119.430 119.395 0.035 18166 7064 1 12 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.278 -0.262 18166 7065 1 12 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.148 -0.023 18166 7066 1 12 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.424 -0.214 18166 7067 1 12 . 1 1 28 28 GLN H H 28 8.574 8.574 8.039 0.535 18166 7068 1 12 . 1 1 29 29 LYS N N 29 116.011 116.011 117.107 -1.096 18166 7069 1 12 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.273 -0.029 18166 7070 1 12 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.748 0.350 18166 7071 1 12 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.523 0.013 18166 7072 1 12 . 1 1 29 29 LYS H H 29 7.410 7.410 7.488 -0.078 18166 7073 1 12 . 1 1 30 30 GLY N N 30 107.636 107.636 107.217 0.419 18166 7074 1 12 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.599 -0.016 18166 7075 1 12 . 1 1 30 30 GLY H H 30 7.566 7.566 7.744 -0.178 18166 7076 1 12 . 1 1 31 31 ASP N N 31 120.587 120.587 123.349 -2.762 18166 7077 1 12 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.557 0.111 18166 7078 1 12 . 1 1 31 31 ASP CA C 31 51.041 51.041 52.697 -1.655 18166 7079 1 12 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.024 -1.306 18166 7080 1 12 . 1 1 31 31 ASP H H 31 7.826 7.826 7.493 0.333 18166 7081 1 12 . 1 1 32 32 TYR N N 32 120.190 120.190 124.498 -4.308 18166 7082 1 12 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.403 -0.631 18166 7083 1 12 . 1 1 32 32 TYR CA C 32 62.254 62.254 59.913 2.341 18166 7084 1 12 . 1 1 32 32 TYR H H 32 7.313 7.313 7.632 -0.319 18166 7085 1 12 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.165 0.055 18166 7086 1 12 . 1 1 33 33 PRO CA C 33 66.355 66.355 66.038 0.317 18166 7087 1 12 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.412 -0.125 18166 7088 1 12 . 1 1 34 34 GLN N N 34 115.797 115.797 118.046 -2.249 18166 7089 1 12 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.829 0.096 18166 7090 1 12 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.185 -0.021 18166 7091 1 12 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.835 0.543 18166 7092 1 12 . 1 1 34 34 GLN H H 34 7.278 7.278 8.015 -0.737 18166 7093 1 12 . 1 1 35 35 ALA N N 35 121.852 121.852 122.894 -1.042 18166 7094 1 12 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.136 -0.064 18166 7095 1 12 . 1 1 35 35 ALA CA C 35 55.597 55.597 55.082 0.515 18166 7096 1 12 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.427 0.118 18166 7097 1 12 . 1 1 35 35 ALA H H 35 8.376 8.376 7.967 0.409 18166 7098 1 12 . 1 1 36 36 MET N N 36 116.867 116.867 117.577 -0.710 18166 7099 1 12 . 1 1 36 36 MET HA H 36 3.887 3.887 4.442 -0.555 18166 7100 1 12 . 1 1 36 36 MET CA C 36 59.400 59.400 57.342 2.058 18166 7101 1 12 . 1 1 36 36 MET CB C 36 30.626 30.626 31.727 -1.101 18166 7102 1 12 . 1 1 36 36 MET H H 36 8.538 8.538 7.835 0.703 18166 7103 1 12 . 1 1 37 37 LYS N N 37 122.037 122.037 120.598 1.439 18166 7104 1 12 . 1 1 37 37 LYS HA H 37 3.912 3.912 3.952 -0.040 18166 7105 1 12 . 1 1 37 37 LYS CA C 37 59.225 59.225 60.005 -0.780 18166 7106 1 12 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.226 -0.030 18166 7107 1 12 . 1 1 37 37 LYS H H 37 7.599 7.599 8.123 -0.524 18166 7108 1 12 . 1 1 38 38 HIS N N 38 117.718 117.718 118.418 -0.700 18166 7109 1 12 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.269 0.366 18166 7110 1 12 . 1 1 38 38 HIS CA C 38 58.000 58.000 59.131 -1.131 18166 7111 1 12 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.921 -1.921 18166 7112 1 12 . 1 1 38 38 HIS H H 38 7.908 7.908 7.919 -0.011 18166 7113 1 12 . 1 1 39 39 TYR N N 39 118.987 118.987 119.272 -0.285 18166 7114 1 12 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.182 0.283 18166 7115 1 12 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.838 -0.585 18166 7116 1 12 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.495 -0.704 18166 7117 1 12 . 1 1 39 39 TYR H H 39 9.156 9.156 8.337 0.819 18166 7118 1 12 . 1 1 40 40 THR N N 40 117.147 117.147 115.681 1.466 18166 7119 1 12 . 1 1 40 40 THR HA H 40 3.872 3.872 3.907 -0.035 18166 7120 1 12 . 1 1 40 40 THR CA C 40 67.449 67.449 66.873 0.576 18166 7121 1 12 . 1 1 40 40 THR CB C 40 68.728 68.728 68.519 0.209 18166 7122 1 12 . 1 1 40 40 THR H H 40 8.476 8.476 8.041 0.435 18166 7123 1 12 . 1 1 41 41 GLU N N 41 122.067 122.067 121.513 0.554 18166 7124 1 12 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.083 -0.104 18166 7125 1 12 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.023 -0.278 18166 7126 1 12 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.313 -0.590 18166 7127 1 12 . 1 1 41 41 GLU H H 41 7.762 7.762 8.086 -0.324 18166 7128 1 12 . 1 1 42 42 ALA N N 42 122.040 122.040 121.613 0.427 18166 7129 1 12 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.091 -0.122 18166 7130 1 12 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.802 0.367 18166 7131 1 12 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.451 -0.080 18166 7132 1 12 . 1 1 42 42 ALA H H 42 8.191 8.191 7.623 0.568 18166 7133 1 12 . 1 1 43 43 ILE N N 43 122.662 122.662 117.785 4.877 18166 7134 1 12 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.712 -0.396 18166 7135 1 12 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.637 0.961 18166 7136 1 12 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.636 0.851 18166 7137 1 12 . 1 1 43 43 ILE H H 43 8.427 8.427 8.038 0.389 18166 7138 1 12 . 1 1 44 44 LYS N N 44 117.349 117.349 117.921 -0.572 18166 7139 1 12 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.110 -0.169 18166 7140 1 12 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.836 0.865 18166 7141 1 12 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.919 0.072 18166 7142 1 12 . 1 1 44 44 LYS H H 44 7.473 7.473 7.369 0.104 18166 7143 1 12 . 1 1 45 45 ARG N N 45 114.723 114.723 116.305 -1.582 18166 7144 1 12 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.316 -0.143 18166 7145 1 12 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.116 0.290 18166 7146 1 12 . 1 1 45 45 ARG CB C 45 30.337 30.337 30.930 -0.593 18166 7147 1 12 . 1 1 45 45 ARG H H 45 7.150 7.150 7.399 -0.249 18166 7148 1 12 . 1 1 46 46 ASN N N 46 115.919 115.919 115.960 -0.041 18166 7149 1 12 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.160 -0.087 18166 7150 1 12 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.441 -0.284 18166 7151 1 12 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.536 -0.905 18166 7152 1 12 . 1 1 46 46 ASN H H 46 7.885 7.885 8.019 -0.134 18166 7153 1 12 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.562 0.170 18166 7154 1 12 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.360 -0.155 18166 7155 1 12 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.120 -0.166 18166 7156 1 12 . 1 1 48 48 LYS N N 48 118.494 118.494 116.300 2.194 18166 7157 1 12 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.402 0.233 18166 7158 1 12 . 1 1 48 48 LYS CA C 48 55.000 55.000 55.542 -0.542 18166 7159 1 12 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.893 -0.466 18166 7160 1 12 . 1 1 48 48 LYS H H 48 8.154 8.154 8.017 0.137 18166 7161 1 12 . 1 1 49 49 ASP N N 49 119.387 119.387 121.421 -2.034 18166 7162 1 12 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.731 -0.041 18166 7163 1 12 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.962 -1.084 18166 7164 1 12 . 1 1 49 49 ASP CB C 49 40.026 40.026 42.543 -2.517 18166 7165 1 12 . 1 1 49 49 ASP H H 49 7.317 7.317 7.541 -0.224 18166 7166 1 12 . 1 1 50 50 ALA N N 50 128.206 128.206 128.741 -0.535 18166 7167 1 12 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.166 -0.125 18166 7168 1 12 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.010 0.554 18166 7169 1 12 . 1 1 50 50 ALA CB C 50 20.090 20.090 19.042 1.048 18166 7170 1 12 . 1 1 50 50 ALA H H 50 8.466 8.466 8.778 -0.312 18166 7171 1 12 . 1 1 51 51 LYS N N 51 113.628 113.628 119.158 -5.530 18166 7172 1 12 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.276 -0.399 18166 7173 1 12 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.177 1.137 18166 7174 1 12 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.533 -0.213 18166 7175 1 12 . 1 1 51 51 LYS H H 51 7.985 7.985 7.703 0.282 18166 7176 1 12 . 1 1 52 52 LEU N N 52 117.207 117.207 120.235 -3.028 18166 7177 1 12 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.867 -0.195 18166 7178 1 12 . 1 1 52 52 LEU CA C 52 57.278 57.278 58.039 -0.761 18166 7179 1 12 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.983 1.109 18166 7180 1 12 . 1 1 52 52 LEU H H 52 7.323 7.323 8.027 -0.704 18166 7181 1 12 . 1 1 53 53 TYR N N 53 116.167 116.167 117.209 -1.042 18166 7182 1 12 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.181 -0.303 18166 7183 1 12 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.482 0.091 18166 7184 1 12 . 1 1 53 53 TYR CB C 53 38.147 38.147 38.151 -0.004 18166 7185 1 12 . 1 1 53 53 TYR H H 53 6.955 6.955 7.498 -0.543 18166 7186 1 12 . 1 1 54 54 SER N N 54 112.799 112.799 114.460 -1.661 18166 7187 1 12 . 1 1 54 54 SER HA H 54 3.976 3.976 4.200 -0.224 18166 7188 1 12 . 1 1 54 54 SER CA C 54 61.200 61.200 61.369 -0.169 18166 7189 1 12 . 1 1 54 54 SER CB C 54 62.184 62.184 62.377 -0.193 18166 7190 1 12 . 1 1 54 54 SER H H 54 7.661 7.661 7.913 -0.252 18166 7191 1 12 . 1 1 55 55 ASN N N 55 119.126 119.126 121.420 -2.294 18166 7192 1 12 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.319 -0.220 18166 7193 1 12 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.450 -0.209 18166 7194 1 12 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.534 -1.257 18166 7195 1 12 . 1 1 55 55 ASN H H 55 7.729 7.729 8.089 -0.360 18166 7196 1 12 . 1 1 56 56 ARG N N 56 122.589 122.589 120.118 2.471 18166 7197 1 12 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.787 0.346 18166 7198 1 12 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.074 2.486 18166 7199 1 12 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.888 -0.819 18166 7200 1 12 . 1 1 56 56 ARG H H 56 8.329 8.329 7.170 1.159 18166 7201 1 12 . 1 1 57 57 ALA N N 57 122.569 122.569 121.247 1.322 18166 7202 1 12 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.253 0.007 18166 7203 1 12 . 1 1 57 57 ALA CA C 57 56.075 56.075 55.067 1.008 18166 7204 1 12 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.400 1.489 18166 7205 1 12 . 1 1 57 57 ALA H H 57 8.857 8.857 8.350 0.507 18166 7206 1 12 . 1 1 58 58 ALA N N 58 120.015 120.015 120.713 -0.698 18166 7207 1 12 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.137 -0.054 18166 7208 1 12 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.288 0.762 18166 7209 1 12 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.022 -0.198 18166 7210 1 12 . 1 1 58 58 ALA H H 58 7.574 7.574 7.647 -0.073 18166 7211 1 12 . 1 1 59 59 CYS N N 59 117.074 117.074 117.586 -0.512 18166 7212 1 12 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.228 -0.166 18166 7213 1 12 . 1 1 59 59 CYS CA C 59 63.245 63.245 64.276 -1.031 18166 7214 1 12 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.698 -0.871 18166 7215 1 12 . 1 1 59 59 CYS H H 59 7.523 7.523 7.509 0.014 18166 7216 1 12 . 1 1 60 60 TYR N N 60 118.554 118.554 119.717 -1.163 18166 7217 1 12 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.071 0.216 18166 7218 1 12 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.178 0.726 18166 7219 1 12 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.272 1.005 18166 7220 1 12 . 1 1 60 60 TYR H H 60 8.684 8.684 8.212 0.472 18166 7221 1 12 . 1 1 61 61 THR N N 61 116.951 116.951 111.920 5.031 18166 7222 1 12 . 1 1 61 61 THR HA H 61 4.264 4.264 2.774 1.490 18166 7223 1 12 . 1 1 61 61 THR CA C 61 67.645 67.645 65.259 2.386 18166 7224 1 12 . 1 1 61 61 THR CB C 61 67.784 67.784 68.245 -0.461 18166 7225 1 12 . 1 1 61 61 THR H H 61 8.572 8.572 8.051 0.521 18166 7226 1 12 . 1 1 62 62 LYS N N 62 122.578 122.578 122.513 0.065 18166 7227 1 12 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.117 -0.193 18166 7228 1 12 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.279 -1.073 18166 7229 1 12 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.133 -1.339 18166 7230 1 12 . 1 1 62 62 LYS H H 62 7.410 7.410 7.544 -0.134 18166 7231 1 12 . 1 1 63 63 LEU N N 63 117.404 117.404 119.096 -1.692 18166 7232 1 12 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.373 -0.157 18166 7233 1 12 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.959 -0.914 18166 7234 1 12 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.609 -0.966 18166 7235 1 12 . 1 1 63 63 LEU H H 63 7.397 7.397 7.619 -0.222 18166 7236 1 12 . 1 1 64 64 LEU N N 64 113.668 113.668 114.946 -1.278 18166 7237 1 12 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.225 -1.255 18166 7238 1 12 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.431 -1.613 18166 7239 1 12 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.216 -1.965 18166 7240 1 12 . 1 1 64 64 LEU H H 64 7.457 7.457 7.674 -0.217 18166 7241 1 12 . 1 1 65 65 GLU N N 65 120.636 120.636 120.108 0.528 18166 7242 1 12 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.427 -0.024 18166 7243 1 12 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.177 -1.947 18166 7244 1 12 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.265 -0.175 18166 7245 1 12 . 1 1 65 65 GLU H H 65 8.085 8.085 8.250 -0.165 18166 7246 1 12 . 1 1 66 66 PHE N N 66 118.292 118.292 120.694 -2.402 18166 7247 1 12 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.091 -0.065 18166 7248 1 12 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.281 -1.292 18166 7249 1 12 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.692 -0.409 18166 7250 1 12 . 1 1 66 66 PHE H H 66 6.812 6.812 7.976 -1.164 18166 7251 1 12 . 1 1 67 67 GLN N N 67 117.166 117.166 117.589 -0.423 18166 7252 1 12 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.009 -0.026 18166 7253 1 12 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.760 -0.082 18166 7254 1 12 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.852 -1.008 18166 7255 1 12 . 1 1 67 67 GLN H H 67 8.589 8.589 8.647 -0.058 18166 7256 1 12 . 1 1 68 68 LEU N N 68 119.871 119.871 119.385 0.486 18166 7257 1 12 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.002 -0.236 18166 7258 1 12 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.632 0.843 18166 7259 1 12 . 1 1 68 68 LEU CB C 68 38.020 38.020 41.022 -3.002 18166 7260 1 12 . 1 1 68 68 LEU H H 68 7.422 7.422 7.813 -0.391 18166 7261 1 12 . 1 1 69 69 ALA N N 69 121.380 121.380 121.958 -0.578 18166 7262 1 12 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.136 -0.003 18166 7263 1 12 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.093 0.735 18166 7264 1 12 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.299 0.208 18166 7265 1 12 . 1 1 69 69 ALA H H 69 7.871 7.871 7.739 0.132 18166 7266 1 12 . 1 1 70 70 LEU N N 70 118.569 118.569 119.167 -0.598 18166 7267 1 12 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.954 -0.140 18166 7268 1 12 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.825 0.754 18166 7269 1 12 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.856 -0.930 18166 7270 1 12 . 1 1 70 70 LEU H H 70 8.519 8.519 8.308 0.211 18166 7271 1 12 . 1 1 71 71 LYS N N 71 119.700 119.700 117.282 2.418 18166 7272 1 12 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.038 -0.061 18166 7273 1 12 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.125 0.070 18166 7274 1 12 . 1 1 71 71 LYS H H 71 7.619 7.619 7.428 0.191 18166 7275 1 12 . 1 1 72 72 ASP N N 72 121.506 121.506 119.532 1.974 18166 7276 1 12 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.740 -0.126 18166 7277 1 12 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.115 0.178 18166 7278 1 12 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.840 -1.859 18166 7279 1 12 . 1 1 72 72 ASP H H 72 7.460 7.460 8.491 -1.031 18166 7280 1 12 . 1 1 73 73 CYS N N 73 118.302 118.302 115.836 2.466 18166 7281 1 12 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.511 -0.677 18166 7282 1 12 . 1 1 73 73 CYS CA C 73 64.687 64.687 60.457 4.230 18166 7283 1 12 . 1 1 73 73 CYS CB C 73 26.546 26.546 28.530 -1.984 18166 7284 1 12 . 1 1 73 73 CYS H H 73 8.366 8.366 7.550 0.816 18166 7285 1 12 . 1 1 74 74 GLU N N 74 117.660 117.660 121.102 -3.442 18166 7286 1 12 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.021 -0.120 18166 7287 1 12 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.050 -0.837 18166 7288 1 12 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.331 -1.315 18166 7289 1 12 . 1 1 74 74 GLU H H 74 8.244 8.244 8.040 0.204 18166 7290 1 12 . 1 1 75 75 GLU N N 75 119.807 119.807 117.475 2.332 18166 7291 1 12 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.104 -0.211 18166 7292 1 12 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.464 -0.315 18166 7293 1 12 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.457 -2.783 18166 7294 1 12 . 1 1 75 75 GLU H H 75 7.394 7.394 7.785 -0.391 18166 7295 1 12 . 1 1 76 76 CYS N N 76 118.342 118.342 118.007 0.335 18166 7296 1 12 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.823 0.018 18166 7297 1 12 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.861 2.442 18166 7298 1 12 . 1 1 76 76 CYS CB C 76 26.371 26.371 25.630 0.741 18166 7299 1 12 . 1 1 76 76 CYS H H 76 7.852 7.852 7.374 0.478 18166 7300 1 12 . 1 1 77 77 ILE N N 77 117.728 117.728 118.491 -0.763 18166 7301 1 12 . 1 1 77 77 ILE HA H 77 3.480 3.480 3.974 -0.494 18166 7302 1 12 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.709 0.500 18166 7303 1 12 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.743 0.806 18166 7304 1 12 . 1 1 77 77 ILE H H 77 7.897 7.897 7.320 0.577 18166 7305 1 12 . 1 1 78 78 GLN N N 78 117.037 117.037 116.593 0.444 18166 7306 1 12 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.111 -0.206 18166 7307 1 12 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.345 0.869 18166 7308 1 12 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.991 -0.641 18166 7309 1 12 . 1 1 78 78 GLN H H 78 7.655 7.655 7.627 0.028 18166 7310 1 12 . 1 1 79 79 LEU N N 79 118.180 118.180 118.760 -0.580 18166 7311 1 12 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.384 -0.289 18166 7312 1 12 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.753 0.762 18166 7313 1 12 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.597 0.447 18166 7314 1 12 . 1 1 79 79 LEU H H 79 8.021 8.021 7.197 0.824 18166 7315 1 12 . 1 1 80 80 GLU N N 80 117.250 117.250 117.329 -0.079 18166 7316 1 12 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.743 0.093 18166 7317 1 12 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.263 0.279 18166 7318 1 12 . 1 1 80 80 GLU CB C 80 30.779 30.779 32.083 -1.304 18166 7319 1 12 . 1 1 80 80 GLU H H 80 8.403 8.403 8.066 0.337 18166 7320 1 12 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.556 0.310 18166 7321 1 12 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.856 -0.111 18166 7322 1 12 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.124 -0.372 18166 7323 1 12 . 1 1 82 82 THR N N 82 107.443 107.443 109.734 -2.291 18166 7324 1 12 . 1 1 82 82 THR HA H 82 4.607 4.607 4.168 0.439 18166 7325 1 12 . 1 1 82 82 THR CA C 82 61.139 61.139 60.805 0.334 18166 7326 1 12 . 1 1 82 82 THR CB C 82 68.785 68.785 67.932 0.853 18166 7327 1 12 . 1 1 82 82 THR H H 82 8.129 8.129 8.122 0.007 18166 7328 1 12 . 1 1 83 83 PHE N N 83 123.490 123.490 121.026 2.464 18166 7329 1 12 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.548 0.582 18166 7330 1 12 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.650 -0.938 18166 7331 1 12 . 1 1 83 83 PHE CB C 83 38.263 38.263 37.813 0.450 18166 7332 1 12 . 1 1 83 83 PHE H H 83 8.022 8.022 7.721 0.301 18166 7333 1 12 . 1 1 84 84 ILE N N 84 131.837 131.837 125.941 5.896 18166 7334 1 12 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.548 0.402 18166 7335 1 12 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.370 -0.140 18166 7336 1 12 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.941 0.028 18166 7337 1 12 . 1 1 84 84 ILE H H 84 8.955 8.955 8.326 0.629 18166 7338 1 12 . 1 1 85 85 LYS N N 85 115.465 115.465 120.739 -5.274 18166 7339 1 12 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.107 0.351 18166 7340 1 12 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.839 -2.503 18166 7341 1 12 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.111 0.370 18166 7342 1 12 . 1 1 85 85 LYS H H 85 6.000 6.000 8.471 -2.471 18166 7343 1 12 . 1 1 86 86 GLY N N 86 103.958 103.958 107.442 -3.484 18166 7344 1 12 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.271 0.890 18166 7345 1 12 . 1 1 86 86 GLY H H 86 6.966 6.966 8.686 -1.720 18166 7346 1 12 . 1 1 87 87 TYR N N 87 115.851 115.851 121.468 -5.617 18166 7347 1 12 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.062 -0.122 18166 7348 1 12 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.901 -0.704 18166 7349 1 12 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.463 0.770 18166 7350 1 12 . 1 1 87 87 TYR H H 87 6.814 6.814 7.482 -0.668 18166 7351 1 12 . 1 1 88 88 THR N N 88 109.840 109.840 115.824 -5.984 18166 7352 1 12 . 1 1 88 88 THR HA H 88 4.328 4.328 4.038 0.290 18166 7353 1 12 . 1 1 88 88 THR CA C 88 66.353 66.353 66.353 -0.000 18166 7354 1 12 . 1 1 88 88 THR CB C 88 66.371 66.371 68.412 -2.041 18166 7355 1 12 . 1 1 88 88 THR H H 88 8.318 8.318 8.297 0.021 18166 7356 1 12 . 1 1 89 89 ARG N N 89 121.855 121.855 119.626 2.229 18166 7357 1 12 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.303 -0.226 18166 7358 1 12 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.215 1.814 18166 7359 1 12 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.522 -0.249 18166 7360 1 12 . 1 1 89 89 ARG H H 89 8.320 8.320 8.076 0.244 18166 7361 1 12 . 1 1 90 90 LYS N N 90 124.436 124.436 121.491 2.945 18166 7362 1 12 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.125 -0.196 18166 7363 1 12 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.782 1.080 18166 7364 1 12 . 1 1 90 90 LYS H H 90 7.379 7.379 8.088 -0.709 18166 7365 1 12 . 1 1 91 91 ALA N N 91 121.179 121.179 120.606 0.573 18166 7366 1 12 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.772 -0.280 18166 7367 1 12 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.890 0.163 18166 7368 1 12 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.528 -2.083 18166 7369 1 12 . 1 1 91 91 ALA H H 91 8.460 8.460 7.934 0.526 18166 7370 1 12 . 1 1 92 92 ALA N N 92 118.165 118.165 120.566 -2.401 18166 7371 1 12 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.354 -0.230 18166 7372 1 12 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.513 0.354 18166 7373 1 12 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.664 -0.644 18166 7374 1 12 . 1 1 92 92 ALA H H 92 7.871 7.871 7.664 0.207 18166 7375 1 12 . 1 1 93 93 ALA N N 93 123.065 123.065 121.677 1.388 18166 7376 1 12 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.220 -0.230 18166 7377 1 12 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.827 0.510 18166 7378 1 12 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.849 -2.228 18166 7379 1 12 . 1 1 93 93 ALA H H 93 7.649 7.649 7.605 0.044 18166 7380 1 12 . 1 1 94 94 LEU N N 94 117.762 117.762 119.141 -1.379 18166 7381 1 12 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.836 0.280 18166 7382 1 12 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.622 0.028 18166 7383 1 12 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.471 0.331 18166 7384 1 12 . 1 1 94 94 LEU H H 94 7.847 7.847 8.359 -0.512 18166 7385 1 12 . 1 1 95 95 GLU N N 95 121.139 121.139 119.359 1.780 18166 7386 1 12 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.029 -0.674 18166 7387 1 12 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.658 -0.530 18166 7388 1 12 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.563 -0.170 18166 7389 1 12 . 1 1 95 95 GLU H H 95 8.971 8.971 8.231 0.740 18166 7390 1 12 . 1 1 96 96 ALA N N 96 124.630 124.630 119.497 5.133 18166 7391 1 12 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.104 -0.153 18166 7392 1 12 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.826 0.746 18166 7393 1 12 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.294 -0.936 18166 7394 1 12 . 1 1 96 96 ALA H H 96 7.890 7.890 7.447 0.443 18166 7395 1 12 . 1 1 97 97 MET N N 97 115.484 115.484 116.809 -1.325 18166 7396 1 12 . 1 1 97 97 MET HA H 97 3.714 3.714 4.416 -0.702 18166 7397 1 12 . 1 1 97 97 MET CA C 97 56.071 56.071 53.835 2.236 18166 7398 1 12 . 1 1 97 97 MET CB C 97 33.654 33.654 32.140 1.514 18166 7399 1 12 . 1 1 97 97 MET H H 97 7.155 7.155 7.422 -0.267 18166 7400 1 12 . 1 1 98 98 LYS N N 98 112.882 112.882 114.633 -1.751 18166 7401 1 12 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.175 -0.445 18166 7402 1 12 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.423 -0.671 18166 7403 1 12 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.196 -1.076 18166 7404 1 12 . 1 1 98 98 LYS H H 98 7.597 7.597 7.510 0.087 18166 7405 1 12 . 1 1 99 99 ASP N N 99 120.642 120.642 120.595 0.047 18166 7406 1 12 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.711 0.126 18166 7407 1 12 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.474 -2.712 18166 7408 1 12 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.118 -1.439 18166 7409 1 12 . 1 1 99 99 ASP H H 99 7.888 7.888 8.004 -0.116 18166 7410 1 12 . 1 1 100 100 TYR N N 100 117.948 117.948 119.464 -1.516 18166 7411 1 12 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.209 -0.264 18166 7412 1 12 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.465 1.468 18166 7413 1 12 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.196 0.443 18166 7414 1 12 . 1 1 100 100 TYR H H 100 6.984 6.984 7.095 -0.111 18166 7415 1 12 . 1 1 101 101 THR N N 101 113.752 113.752 109.023 4.729 18166 7416 1 12 . 1 1 101 101 THR HA H 101 4.008 4.008 4.065 -0.057 18166 7417 1 12 . 1 1 101 101 THR CA C 101 65.857 65.857 64.971 0.886 18166 7418 1 12 . 1 1 101 101 THR CB C 101 67.689 67.689 68.597 -0.908 18166 7419 1 12 . 1 1 101 101 THR H H 101 8.543 8.543 8.435 0.108 18166 7420 1 12 . 1 1 102 102 LYS N N 102 120.641 120.641 120.760 -0.119 18166 7421 1 12 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.419 -0.277 18166 7422 1 12 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.279 1.807 18166 7423 1 12 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.036 0.143 18166 7424 1 12 . 1 1 102 102 LYS H H 102 7.348 7.348 7.645 -0.297 18166 7425 1 12 . 1 1 103 103 ALA N N 103 120.302 120.302 123.341 -3.039 18166 7426 1 12 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.954 -0.289 18166 7427 1 12 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.264 0.392 18166 7428 1 12 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.624 0.265 18166 7429 1 12 . 1 1 103 103 ALA H H 103 8.344 8.344 8.343 0.001 18166 7430 1 12 . 1 1 104 104 MET N N 104 116.430 116.430 114.864 1.566 18166 7431 1 12 . 1 1 104 104 MET HA H 104 3.939 3.939 4.473 -0.534 18166 7432 1 12 . 1 1 104 104 MET CA C 104 61.020 61.020 59.445 1.575 18166 7433 1 12 . 1 1 104 104 MET CB C 104 33.904 33.904 32.253 1.651 18166 7434 1 12 . 1 1 104 104 MET H H 104 8.375 8.375 8.375 -0.000 18166 7435 1 12 . 1 1 105 105 ASP N N 105 117.449 117.449 120.591 -3.142 18166 7436 1 12 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.454 0.056 18166 7437 1 12 . 1 1 105 105 ASP CA C 105 57.113 57.113 58.026 -0.913 18166 7438 1 12 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.657 -0.448 18166 7439 1 12 . 1 1 105 105 ASP H H 105 7.319 7.319 8.102 -0.783 18166 7440 1 12 . 1 1 106 106 VAL N N 106 121.168 121.168 119.883 1.285 18166 7441 1 12 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.775 -0.025 18166 7442 1 12 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.234 0.746 18166 7443 1 12 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.430 -0.669 18166 7444 1 12 . 1 1 106 106 VAL H H 106 7.825 7.825 7.605 0.220 18166 7445 1 12 . 1 1 107 107 TYR N N 107 120.714 120.714 120.200 0.514 18166 7446 1 12 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.138 0.133 18166 7447 1 12 . 1 1 107 107 TYR CA C 107 62.453 62.453 62.185 0.268 18166 7448 1 12 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.687 0.467 18166 7449 1 12 . 1 1 107 107 TYR H H 107 9.215 9.215 8.455 0.760 18166 7450 1 12 . 1 1 108 108 GLN N N 108 117.293 117.293 118.573 -1.280 18166 7451 1 12 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.862 -0.029 18166 7452 1 12 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.831 -0.130 18166 7453 1 12 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.344 -0.099 18166 7454 1 12 . 1 1 108 108 GLN H H 108 8.605 8.605 7.840 0.765 18166 7455 1 12 . 1 1 109 109 LYS N N 109 120.342 120.342 118.228 2.114 18166 7456 1 12 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.080 -0.078 18166 7457 1 12 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.158 0.379 18166 7458 1 12 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.033 -1.012 18166 7459 1 12 . 1 1 109 109 LYS H H 109 7.571 7.571 8.120 -0.549 18166 7460 1 12 . 1 1 110 110 ALA N N 110 119.851 119.851 122.865 -3.014 18166 7461 1 12 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.886 -0.107 18166 7462 1 12 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.073 -0.021 18166 7463 1 12 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.336 -0.648 18166 7464 1 12 . 1 1 110 110 ALA H H 110 7.693 7.693 7.767 -0.074 18166 7465 1 12 . 1 1 111 111 LEU N N 111 117.859 117.859 117.483 0.376 18166 7466 1 12 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.042 0.035 18166 7467 1 12 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.040 -0.829 18166 7468 1 12 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.764 0.044 18166 7469 1 12 . 1 1 111 111 LEU H H 111 7.811 7.811 7.985 -0.174 18166 7470 1 12 . 1 1 112 112 ASP N N 112 118.421 118.421 118.582 -0.161 18166 7471 1 12 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.413 -0.162 18166 7472 1 12 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.540 -0.778 18166 7473 1 12 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.254 -2.059 18166 7474 1 12 . 1 1 112 112 ASP H H 112 8.099 8.099 7.761 0.338 18166 7475 1 12 . 1 1 113 113 LEU N N 113 120.299 120.299 119.039 1.260 18166 7476 1 12 . 1 1 113 113 LEU HA H 113 4.157 4.157 3.944 0.213 18166 7477 1 12 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.901 -0.367 18166 7478 1 12 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.282 0.197 18166 7479 1 12 . 1 1 113 113 LEU H H 113 7.319 7.319 7.587 -0.268 18166 7480 1 12 . 1 1 114 114 ASP N N 114 118.196 118.196 114.284 3.912 18166 7481 1 12 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.701 -0.063 18166 7482 1 12 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.617 -0.429 18166 7483 1 12 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.072 -1.806 18166 7484 1 12 . 1 1 114 114 ASP H H 114 8.190 8.190 7.492 0.698 18166 7485 1 12 . 1 1 115 115 SER N N 115 121.421 121.421 119.115 2.306 18166 7486 1 12 . 1 1 115 115 SER HA H 115 4.272 4.272 4.230 0.042 18166 7487 1 12 . 1 1 115 115 SER CA C 115 60.133 60.133 60.390 -0.257 18166 7488 1 12 . 1 1 115 115 SER CB C 115 62.791 62.791 62.672 0.118 18166 7489 1 12 . 1 1 115 115 SER H H 115 8.775 8.775 8.778 -0.003 18166 7490 1 12 . 1 1 116 116 SER N N 116 116.860 116.860 118.130 -1.270 18166 7491 1 12 . 1 1 116 116 SER HA H 116 4.481 4.481 4.235 0.246 18166 7492 1 12 . 1 1 116 116 SER CA C 116 57.961 57.961 60.514 -2.553 18166 7493 1 12 . 1 1 116 116 SER CB C 116 63.960 63.960 62.655 1.305 18166 7494 1 12 . 1 1 116 116 SER H H 116 8.404 8.404 8.223 0.181 18166 7495 1 12 . 1 1 117 117 CYS N N 117 121.814 121.814 119.748 2.066 18166 7496 1 12 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.542 -0.231 18166 7497 1 12 . 1 1 117 117 CYS CA C 117 58.972 58.972 57.907 1.065 18166 7498 1 12 . 1 1 117 117 CYS CB C 117 25.866 25.866 27.308 -1.442 18166 7499 1 12 . 1 1 117 117 CYS H H 117 7.401 7.401 7.804 -0.403 18166 7500 1 12 . 1 1 118 118 LYS N N 118 105.939 105.939 121.109 -15.170 18166 7501 1 12 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.929 0.043 18166 7502 1 12 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.200 -0.333 18166 7503 1 12 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.892 0.464 18166 7504 1 12 . 1 1 118 118 LYS H H 118 8.647 8.647 7.919 0.728 18166 7505 1 12 . 1 1 119 119 GLU N N 119 117.724 117.724 118.184 -0.460 18166 7506 1 12 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.109 0.022 18166 7507 1 12 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.962 0.039 18166 7508 1 12 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.911 0.561 18166 7509 1 12 . 1 1 119 119 GLU H H 119 8.998 8.998 8.455 0.543 18166 7510 1 12 . 1 1 120 120 ALA N N 120 120.855 120.855 120.673 0.182 18166 7511 1 12 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.329 0.039 18166 7512 1 12 . 1 1 120 120 ALA CA C 120 53.306 53.306 53.885 -0.579 18166 7513 1 12 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.631 -0.518 18166 7514 1 12 . 1 1 120 120 ALA H H 120 7.494 7.494 8.180 -0.686 18166 7515 1 12 . 1 1 121 121 ALA N N 121 123.265 123.265 122.136 1.129 18166 7516 1 12 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.093 -0.098 18166 7517 1 12 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.017 -0.225 18166 7518 1 12 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.549 -0.745 18166 7519 1 12 . 1 1 121 121 ALA H H 121 7.914 7.914 7.688 0.226 18166 7520 1 12 . 1 1 122 122 ASP N N 122 118.732 118.732 118.369 0.363 18166 7521 1 12 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.355 -0.084 18166 7522 1 12 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.282 -1.040 18166 7523 1 12 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.824 -1.709 18166 7524 1 12 . 1 1 122 122 ASP H H 122 8.964 8.964 7.821 1.143 18166 7525 1 12 . 1 1 123 123 GLY N N 123 108.568 108.568 106.519 2.049 18166 7526 1 12 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.412 0.202 18166 7527 1 12 . 1 1 123 123 GLY H H 123 7.572 7.572 7.637 -0.065 18166 7528 1 12 . 1 1 124 124 TYR N N 124 122.944 122.944 123.362 -0.418 18166 7529 1 12 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.259 0.355 18166 7530 1 12 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.033 3.151 18166 7531 1 12 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.072 -0.175 18166 7532 1 12 . 1 1 124 124 TYR H H 124 8.162 8.162 7.682 0.480 18166 7533 1 12 . 1 1 125 125 GLN N N 125 115.988 115.988 117.705 -1.717 18166 7534 1 12 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.633 0.242 18166 7535 1 12 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.762 -0.142 18166 7536 1 12 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.827 0.310 18166 7537 1 12 . 1 1 125 125 GLN H H 125 7.510 7.510 7.707 -0.197 18166 7538 1 12 . 1 1 126 126 ARG N N 126 118.626 118.626 119.522 -0.896 18166 7539 1 12 . 1 1 126 126 ARG HA H 126 3.933 3.933 3.934 -0.001 18166 7540 1 12 . 1 1 126 126 ARG CA C 126 59.817 59.817 59.420 0.397 18166 7541 1 12 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.180 0.912 18166 7542 1 12 . 1 1 126 126 ARG H H 126 8.139 8.139 7.547 0.592 18166 7543 1 12 . 1 1 127 127 CYS N N 127 116.985 116.985 116.473 0.512 18166 7544 1 12 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.022 -0.133 18166 7545 1 12 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.726 1.237 18166 7546 1 12 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.799 -0.033 18166 7547 1 12 . 1 1 127 127 CYS H H 127 8.097 8.097 7.138 0.959 18166 7548 1 12 . 1 1 128 128 MET N N 128 120.493 120.493 118.579 1.914 18166 7549 1 12 . 1 1 128 128 MET HA H 128 3.989 3.989 3.756 0.233 18166 7550 1 12 . 1 1 128 128 MET CA C 128 58.420 58.420 58.499 -0.079 18166 7551 1 12 . 1 1 128 128 MET CB C 128 31.539 31.539 31.992 -0.453 18166 7552 1 12 . 1 1 128 128 MET H H 128 8.163 8.163 7.687 0.476 18166 7553 1 12 . 1 1 129 129 MET N N 129 115.583 115.583 116.960 -1.377 18166 7554 1 12 . 1 1 129 129 MET HA H 129 4.211 4.211 4.290 -0.079 18166 7555 1 12 . 1 1 129 129 MET CA C 129 56.677 56.677 57.610 -0.933 18166 7556 1 12 . 1 1 129 129 MET CB C 129 31.951 31.951 32.179 -0.228 18166 7557 1 12 . 1 1 129 129 MET H H 129 7.723 7.723 7.459 0.264 18166 7558 1 12 . 1 1 130 130 ALA N N 130 121.061 121.061 121.530 -0.469 18166 7559 1 12 . 1 1 130 130 ALA HA H 130 3.908 3.908 4.046 -0.138 18166 7560 1 12 . 1 1 130 130 ALA CA C 130 53.080 53.080 53.855 -0.775 18166 7561 1 12 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.135 -1.631 18166 7562 1 12 . 1 1 130 130 ALA H H 130 7.458 7.458 7.572 -0.114 18166 7563 1 12 . 1 1 131 131 GLN N N 131 114.560 114.560 115.179 -0.619 18166 7564 1 12 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.258 -0.252 18166 7565 1 12 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.355 -0.552 18166 7566 1 12 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.497 -0.392 18166 7567 1 12 . 1 1 131 131 GLN H H 131 7.214 7.214 7.219 -0.005 18166 7568 1 12 . 1 1 132 132 TYR N N 132 117.856 117.856 118.603 -0.747 18166 7569 1 12 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.649 -0.007 18166 7570 1 12 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.732 1.826 18166 7571 1 12 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.918 1.394 18166 7572 1 12 . 1 1 132 132 TYR H H 132 7.545 7.545 7.337 0.208 18166 7573 1 13 . 1 1 2 2 GLY N N 2 109.986 109.986 109.340 0.646 18166 7574 1 13 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.221 -0.411 18166 7575 1 13 . 1 1 2 2 GLY H H 2 8.520 8.520 8.311 0.209 18166 7576 1 13 . 1 1 3 3 HIS N N 3 117.442 117.442 120.605 -3.163 18166 7577 1 13 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.352 0.268 18166 7578 1 13 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.300 -1.873 18166 7579 1 13 . 1 1 3 3 HIS H H 3 8.406 8.406 8.287 0.119 18166 7580 1 13 . 1 1 4 4 HIS N N 4 118.932 118.932 124.786 -5.854 18166 7581 1 13 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.513 0.115 18166 7582 1 13 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.886 -0.979 18166 7583 1 13 . 1 1 4 4 HIS CB C 4 28.198 28.198 29.191 -0.993 18166 7584 1 13 . 1 1 4 4 HIS H H 4 8.552 8.552 8.752 -0.200 18166 7585 1 13 . 1 1 5 5 HIS N N 5 119.580 119.580 123.936 -4.356 18166 7586 1 13 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.583 0.065 18166 7587 1 13 . 1 1 5 5 HIS CA C 5 55.133 55.133 54.377 0.756 18166 7588 1 13 . 1 1 5 5 HIS CB C 5 28.761 28.761 32.272 -3.511 18166 7589 1 13 . 1 1 5 5 HIS H H 5 8.615 8.615 8.366 0.249 18166 7590 1 13 . 1 1 6 6 HIS N N 6 121.369 121.369 118.827 2.542 18166 7591 1 13 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.458 0.190 18166 7592 1 13 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.817 -0.868 18166 7593 1 13 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.154 -1.054 18166 7594 1 13 . 1 1 6 6 HIS H H 6 8.732 8.732 8.543 0.189 18166 7595 1 13 . 1 1 7 7 HIS N N 7 120.276 120.276 123.458 -3.182 18166 7596 1 13 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.548 0.094 18166 7597 1 13 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.984 -0.837 18166 7598 1 13 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.433 -1.608 18166 7599 1 13 . 1 1 7 7 HIS H H 7 8.708 8.708 8.362 0.346 18166 7600 1 13 . 1 1 8 8 HIS N N 8 120.007 120.007 120.436 -0.429 18166 7601 1 13 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.611 0.085 18166 7602 1 13 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.996 -1.135 18166 7603 1 13 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.857 -2.161 18166 7604 1 13 . 1 1 8 8 HIS H H 8 8.708 8.708 8.724 -0.016 18166 7605 1 13 . 1 1 9 9 SER N N 9 117.977 117.977 115.355 2.622 18166 7606 1 13 . 1 1 9 9 SER HA H 9 4.404 4.404 4.556 -0.152 18166 7607 1 13 . 1 1 9 9 SER CA C 9 57.718 57.718 57.779 -0.061 18166 7608 1 13 . 1 1 9 9 SER CB C 9 63.246 63.246 64.233 -0.987 18166 7609 1 13 . 1 1 9 9 SER H H 9 8.535 8.535 8.540 -0.005 18166 7610 1 13 . 1 1 10 10 HIS N N 10 120.441 120.441 123.069 -2.628 18166 7611 1 13 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.638 0.057 18166 7612 1 13 . 1 1 10 10 HIS H H 10 8.744 8.744 9.137 -0.393 18166 7613 1 13 . 1 1 11 11 MET N N 11 122.004 122.004 121.569 0.435 18166 7614 1 13 . 1 1 11 11 MET HA H 11 4.427 4.427 4.245 0.182 18166 7615 1 13 . 1 1 11 11 MET CA C 11 54.665 54.665 55.695 -1.030 18166 7616 1 13 . 1 1 11 11 MET CB C 11 32.913 32.913 32.282 0.631 18166 7617 1 13 . 1 1 11 11 MET H H 11 8.443 8.443 8.197 0.246 18166 7618 1 13 . 1 1 12 12 ASN N N 12 121.852 121.852 118.472 3.380 18166 7619 1 13 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.774 0.163 18166 7620 1 13 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.800 -0.420 18166 7621 1 13 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.685 -0.372 18166 7622 1 13 . 1 1 12 12 ASN H H 12 8.631 8.631 8.209 0.422 18166 7623 1 13 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.398 -0.038 18166 7624 1 13 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.812 -1.663 18166 7625 1 13 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.026 -0.274 18166 7626 1 13 . 1 1 14 14 ASP N N 14 119.643 119.643 115.557 4.086 18166 7627 1 13 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.683 -0.140 18166 7628 1 13 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.807 0.221 18166 7629 1 13 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.758 -1.996 18166 7630 1 13 . 1 1 14 14 ASP H H 14 8.344 8.344 7.801 0.543 18166 7631 1 13 . 1 1 15 15 LEU N N 15 123.333 123.333 126.107 -2.774 18166 7632 1 13 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.107 0.042 18166 7633 1 13 . 1 1 15 15 LEU CA C 15 56.443 56.443 58.020 -1.577 18166 7634 1 13 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.882 -0.506 18166 7635 1 13 . 1 1 15 15 LEU H H 15 8.119 8.119 8.653 -0.534 18166 7636 1 13 . 1 1 16 16 ALA N N 16 121.879 121.879 120.300 1.579 18166 7637 1 13 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.124 -0.010 18166 7638 1 13 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.400 -1.030 18166 7639 1 13 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.552 -0.504 18166 7640 1 13 . 1 1 16 16 ALA H H 16 8.212 8.212 8.092 0.120 18166 7641 1 13 . 1 1 17 17 LEU N N 17 118.990 118.990 116.325 2.665 18166 7642 1 13 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.254 -0.115 18166 7643 1 13 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.627 -1.518 18166 7644 1 13 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.982 -0.606 18166 7645 1 13 . 1 1 17 17 LEU H H 17 7.719 7.719 7.573 0.146 18166 7646 1 13 . 1 1 18 18 MET N N 18 118.534 118.534 118.281 0.253 18166 7647 1 13 . 1 1 18 18 MET HA H 18 4.274 4.274 4.312 -0.038 18166 7648 1 13 . 1 1 18 18 MET CA C 18 56.497 56.497 56.803 -0.306 18166 7649 1 13 . 1 1 18 18 MET CB C 18 31.787 31.787 31.277 0.510 18166 7650 1 13 . 1 1 18 18 MET H H 18 7.996 7.996 7.582 0.414 18166 7651 1 13 . 1 1 19 19 VAL N N 19 119.243 119.243 119.894 -0.651 18166 7652 1 13 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.706 0.127 18166 7653 1 13 . 1 1 19 19 VAL CA C 19 63.734 63.734 66.051 -2.317 18166 7654 1 13 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.816 -0.160 18166 7655 1 13 . 1 1 19 19 VAL H H 19 7.915 7.915 7.974 -0.059 18166 7656 1 13 . 1 1 20 20 LYS N N 20 123.321 123.321 118.529 4.792 18166 7657 1 13 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.100 -0.123 18166 7658 1 13 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.658 -1.315 18166 7659 1 13 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.592 0.404 18166 7660 1 13 . 1 1 20 20 LYS H H 20 8.139 8.139 7.580 0.559 18166 7661 1 13 . 1 1 21 21 ASN N N 21 118.732 118.732 119.373 -0.641 18166 7662 1 13 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.518 0.060 18166 7663 1 13 . 1 1 21 21 ASN CA C 21 54.240 54.240 55.985 -1.745 18166 7664 1 13 . 1 1 21 21 ASN CB C 21 37.739 37.739 37.989 -0.250 18166 7665 1 13 . 1 1 21 21 ASN H H 21 8.349 8.349 7.796 0.553 18166 7666 1 13 . 1 1 22 22 LYS N N 22 121.941 121.941 119.959 1.982 18166 7667 1 13 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.323 -0.299 18166 7668 1 13 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.352 -0.042 18166 7669 1 13 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.390 0.129 18166 7670 1 13 . 1 1 22 22 LYS H H 22 8.185 8.185 7.537 0.648 18166 7671 1 13 . 1 1 23 23 GLY N N 23 107.792 107.792 108.340 -0.548 18166 7672 1 13 . 1 1 23 23 GLY CA C 23 47.766 47.766 47.103 0.663 18166 7673 1 13 . 1 1 23 23 GLY H H 23 8.336 8.336 8.362 -0.026 18166 7674 1 13 . 1 1 24 24 ASN N N 24 120.049 120.049 118.829 1.220 18166 7675 1 13 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.502 0.082 18166 7676 1 13 . 1 1 24 24 ASN CA C 24 55.201 55.201 54.794 0.407 18166 7677 1 13 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.733 -1.163 18166 7678 1 13 . 1 1 24 24 ASN H H 24 8.337 8.337 7.716 0.621 18166 7679 1 13 . 1 1 25 25 GLU N N 25 121.510 121.510 120.210 1.300 18166 7680 1 13 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.070 -0.023 18166 7681 1 13 . 1 1 25 25 GLU CA C 25 58.976 58.976 58.922 0.054 18166 7682 1 13 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.560 -0.457 18166 7683 1 13 . 1 1 25 25 GLU H H 25 8.366 8.366 7.995 0.371 18166 7684 1 13 . 1 1 26 26 CYS N N 26 116.512 116.512 119.372 -2.860 18166 7685 1 13 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.085 0.017 18166 7686 1 13 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.790 0.214 18166 7687 1 13 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.148 0.108 18166 7688 1 13 . 1 1 26 26 CYS H H 26 8.092 8.092 7.802 0.290 18166 7689 1 13 . 1 1 27 27 PHE N N 27 122.066 122.066 120.204 1.862 18166 7690 1 13 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.254 -0.502 18166 7691 1 13 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.425 0.055 18166 7692 1 13 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.760 1.142 18166 7693 1 13 . 1 1 27 27 PHE H H 27 8.756 8.756 7.601 1.155 18166 7694 1 13 . 1 1 28 28 GLN N N 28 119.430 119.430 119.618 -0.188 18166 7695 1 13 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.032 -0.016 18166 7696 1 13 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.131 -0.006 18166 7697 1 13 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.249 -0.039 18166 7698 1 13 . 1 1 28 28 GLN H H 28 8.574 8.574 7.852 0.722 18166 7699 1 13 . 1 1 29 29 LYS N N 29 116.011 116.011 117.195 -1.184 18166 7700 1 13 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.181 0.063 18166 7701 1 13 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.921 0.177 18166 7702 1 13 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.472 0.064 18166 7703 1 13 . 1 1 29 29 LYS H H 29 7.410 7.410 7.444 -0.035 18166 7704 1 13 . 1 1 30 30 GLY N N 30 107.636 107.636 107.298 0.338 18166 7705 1 13 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.737 -0.154 18166 7706 1 13 . 1 1 30 30 GLY H H 30 7.566 7.566 7.643 -0.077 18166 7707 1 13 . 1 1 31 31 ASP N N 31 120.587 120.587 122.387 -1.800 18166 7708 1 13 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.928 -0.260 18166 7709 1 13 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.415 -2.374 18166 7710 1 13 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.714 -1.996 18166 7711 1 13 . 1 1 31 31 ASP H H 31 7.826 7.826 7.534 0.292 18166 7712 1 13 . 1 1 32 32 TYR N N 32 120.190 120.190 124.373 -4.183 18166 7713 1 13 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.410 -0.638 18166 7714 1 13 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.616 -0.362 18166 7715 1 13 . 1 1 32 32 TYR H H 32 7.313 7.313 8.685 -1.372 18166 7716 1 13 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.306 -0.086 18166 7717 1 13 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.535 0.820 18166 7718 1 13 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.774 -0.487 18166 7719 1 13 . 1 1 34 34 GLN N N 34 115.797 115.797 118.009 -2.212 18166 7720 1 13 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.956 -0.031 18166 7721 1 13 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.600 -0.436 18166 7722 1 13 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.672 0.706 18166 7723 1 13 . 1 1 34 34 GLN H H 34 7.278 7.278 8.704 -1.426 18166 7724 1 13 . 1 1 35 35 ALA N N 35 121.852 121.852 122.159 -0.307 18166 7725 1 13 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.952 0.120 18166 7726 1 13 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.746 0.851 18166 7727 1 13 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.289 0.256 18166 7728 1 13 . 1 1 35 35 ALA H H 35 8.376 8.376 7.729 0.647 18166 7729 1 13 . 1 1 36 36 MET N N 36 116.867 116.867 117.731 -0.864 18166 7730 1 13 . 1 1 36 36 MET HA H 36 3.887 3.887 4.177 -0.290 18166 7731 1 13 . 1 1 36 36 MET CA C 36 59.400 59.400 58.920 0.479 18166 7732 1 13 . 1 1 36 36 MET CB C 36 30.626 30.626 32.523 -1.897 18166 7733 1 13 . 1 1 36 36 MET H H 36 8.538 8.538 7.759 0.779 18166 7734 1 13 . 1 1 37 37 LYS N N 37 122.037 122.037 118.467 3.570 18166 7735 1 13 . 1 1 37 37 LYS HA H 37 3.912 3.912 3.975 -0.063 18166 7736 1 13 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.323 -0.098 18166 7737 1 13 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.104 0.092 18166 7738 1 13 . 1 1 37 37 LYS H H 37 7.599 7.599 7.539 0.060 18166 7739 1 13 . 1 1 38 38 HIS N N 38 117.718 117.718 117.401 0.317 18166 7740 1 13 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.622 0.013 18166 7741 1 13 . 1 1 38 38 HIS CA C 38 58.000 58.000 57.476 0.524 18166 7742 1 13 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.346 -1.347 18166 7743 1 13 . 1 1 38 38 HIS H H 38 7.908 7.908 7.834 0.074 18166 7744 1 13 . 1 1 39 39 TYR N N 39 118.987 118.987 119.116 -0.129 18166 7745 1 13 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.354 0.111 18166 7746 1 13 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.324 -0.071 18166 7747 1 13 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.466 -0.675 18166 7748 1 13 . 1 1 39 39 TYR H H 39 9.156 9.156 8.081 1.075 18166 7749 1 13 . 1 1 40 40 THR N N 40 117.147 117.147 116.349 0.798 18166 7750 1 13 . 1 1 40 40 THR HA H 40 3.872 3.872 3.898 -0.026 18166 7751 1 13 . 1 1 40 40 THR CA C 40 67.449 67.449 67.142 0.307 18166 7752 1 13 . 1 1 40 40 THR CB C 40 68.728 68.728 68.472 0.256 18166 7753 1 13 . 1 1 40 40 THR H H 40 8.476 8.476 7.958 0.518 18166 7754 1 13 . 1 1 41 41 GLU N N 41 122.067 122.067 120.787 1.280 18166 7755 1 13 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.039 -0.060 18166 7756 1 13 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.164 -0.419 18166 7757 1 13 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.042 -0.319 18166 7758 1 13 . 1 1 41 41 GLU H H 41 7.762 7.762 8.004 -0.242 18166 7759 1 13 . 1 1 42 42 ALA N N 42 122.040 122.040 121.942 0.098 18166 7760 1 13 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.128 -0.159 18166 7761 1 13 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.446 0.723 18166 7762 1 13 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.597 -0.227 18166 7763 1 13 . 1 1 42 42 ALA H H 42 8.191 8.191 7.420 0.771 18166 7764 1 13 . 1 1 43 43 ILE N N 43 122.662 122.662 118.107 4.555 18166 7765 1 13 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.901 -0.585 18166 7766 1 13 . 1 1 43 43 ILE CA C 43 64.598 64.598 64.048 0.550 18166 7767 1 13 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.799 0.688 18166 7768 1 13 . 1 1 43 43 ILE H H 43 8.427 8.427 7.945 0.482 18166 7769 1 13 . 1 1 44 44 LYS N N 44 117.349 117.349 117.816 -0.467 18166 7770 1 13 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.070 -0.129 18166 7771 1 13 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.761 0.940 18166 7772 1 13 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.167 -0.176 18166 7773 1 13 . 1 1 44 44 LYS H H 44 7.473 7.473 7.595 -0.122 18166 7774 1 13 . 1 1 45 45 ARG N N 45 114.723 114.723 115.656 -0.933 18166 7775 1 13 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.347 -0.174 18166 7776 1 13 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.815 0.591 18166 7777 1 13 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.245 -0.908 18166 7778 1 13 . 1 1 45 45 ARG H H 45 7.150 7.150 7.386 -0.236 18166 7779 1 13 . 1 1 46 46 ASN N N 46 115.919 115.919 115.891 0.028 18166 7780 1 13 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.092 -0.019 18166 7781 1 13 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.778 -0.621 18166 7782 1 13 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.599 -0.968 18166 7783 1 13 . 1 1 46 46 ASN H H 46 7.885 7.885 8.000 -0.115 18166 7784 1 13 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.668 0.064 18166 7785 1 13 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.579 -0.374 18166 7786 1 13 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.415 -0.461 18166 7787 1 13 . 1 1 48 48 LYS N N 48 118.494 118.494 120.081 -1.587 18166 7788 1 13 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.151 0.484 18166 7789 1 13 . 1 1 48 48 LYS CA C 48 55.000 55.000 57.922 -2.922 18166 7790 1 13 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.685 -0.258 18166 7791 1 13 . 1 1 48 48 LYS H H 48 8.154 8.154 8.194 -0.040 18166 7792 1 13 . 1 1 49 49 ASP N N 49 119.387 119.387 120.166 -0.779 18166 7793 1 13 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.470 0.220 18166 7794 1 13 . 1 1 49 49 ASP CA C 49 52.878 52.878 55.523 -2.645 18166 7795 1 13 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.158 -0.132 18166 7796 1 13 . 1 1 49 49 ASP H H 49 7.317 7.317 7.913 -0.596 18166 7797 1 13 . 1 1 50 50 ALA N N 50 128.206 128.206 128.249 -0.043 18166 7798 1 13 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.268 -0.227 18166 7799 1 13 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.586 0.979 18166 7800 1 13 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.969 1.121 18166 7801 1 13 . 1 1 50 50 ALA H H 50 8.466 8.466 8.238 0.228 18166 7802 1 13 . 1 1 51 51 LYS N N 51 113.628 113.628 117.363 -3.735 18166 7803 1 13 . 1 1 51 51 LYS HA H 51 3.877 3.877 3.261 0.616 18166 7804 1 13 . 1 1 51 51 LYS CA C 51 59.314 59.314 57.814 1.500 18166 7805 1 13 . 1 1 51 51 LYS CB C 51 31.320 31.320 30.907 0.413 18166 7806 1 13 . 1 1 51 51 LYS H H 51 7.985 7.985 7.544 0.441 18166 7807 1 13 . 1 1 52 52 LEU N N 52 117.207 117.207 120.256 -3.049 18166 7808 1 13 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.905 -0.233 18166 7809 1 13 . 1 1 52 52 LEU CA C 52 57.278 57.278 56.991 0.287 18166 7810 1 13 . 1 1 52 52 LEU CB C 52 42.092 42.092 41.278 0.814 18166 7811 1 13 . 1 1 52 52 LEU H H 52 7.323 7.323 7.245 0.078 18166 7812 1 13 . 1 1 53 53 TYR N N 53 116.167 116.167 117.983 -1.816 18166 7813 1 13 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.080 -0.202 18166 7814 1 13 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.534 0.039 18166 7815 1 13 . 1 1 53 53 TYR CB C 53 38.147 38.147 38.176 -0.029 18166 7816 1 13 . 1 1 53 53 TYR H H 53 6.955 6.955 7.575 -0.620 18166 7817 1 13 . 1 1 54 54 SER N N 54 112.799 112.799 113.342 -0.543 18166 7818 1 13 . 1 1 54 54 SER HA H 54 3.976 3.976 4.181 -0.205 18166 7819 1 13 . 1 1 54 54 SER CA C 54 61.200 61.200 61.537 -0.337 18166 7820 1 13 . 1 1 54 54 SER CB C 54 62.184 62.184 62.934 -0.750 18166 7821 1 13 . 1 1 54 54 SER H H 54 7.661 7.661 8.450 -0.789 18166 7822 1 13 . 1 1 55 55 ASN N N 55 119.126 119.126 121.479 -2.353 18166 7823 1 13 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.359 -0.260 18166 7824 1 13 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.644 -0.403 18166 7825 1 13 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.963 -1.686 18166 7826 1 13 . 1 1 55 55 ASN H H 55 7.729 7.729 7.420 0.309 18166 7827 1 13 . 1 1 56 56 ARG N N 56 122.589 122.589 118.459 4.130 18166 7828 1 13 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.812 0.321 18166 7829 1 13 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.530 3.030 18166 7830 1 13 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.341 -0.272 18166 7831 1 13 . 1 1 56 56 ARG H H 56 8.329 8.329 7.679 0.650 18166 7832 1 13 . 1 1 57 57 ALA N N 57 122.569 122.569 122.419 0.150 18166 7833 1 13 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.343 -0.083 18166 7834 1 13 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.702 1.373 18166 7835 1 13 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.512 1.377 18166 7836 1 13 . 1 1 57 57 ALA H H 57 8.857 8.857 7.939 0.918 18166 7837 1 13 . 1 1 58 58 ALA N N 58 120.015 120.015 120.273 -0.258 18166 7838 1 13 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.158 -0.075 18166 7839 1 13 . 1 1 58 58 ALA CA C 58 55.050 55.050 53.990 1.060 18166 7840 1 13 . 1 1 58 58 ALA CB C 58 17.824 17.824 17.925 -0.101 18166 7841 1 13 . 1 1 58 58 ALA H H 58 7.574 7.574 7.608 -0.034 18166 7842 1 13 . 1 1 59 59 CYS N N 59 117.074 117.074 117.314 -0.240 18166 7843 1 13 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.354 -0.292 18166 7844 1 13 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.692 1.553 18166 7845 1 13 . 1 1 59 59 CYS CB C 59 26.827 26.827 28.404 -1.577 18166 7846 1 13 . 1 1 59 59 CYS H H 59 7.523 7.523 7.253 0.270 18166 7847 1 13 . 1 1 60 60 TYR N N 60 118.554 118.554 119.137 -0.583 18166 7848 1 13 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.161 0.126 18166 7849 1 13 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.153 0.751 18166 7850 1 13 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.528 0.750 18166 7851 1 13 . 1 1 60 60 TYR H H 60 8.684 8.684 7.904 0.780 18166 7852 1 13 . 1 1 61 61 THR N N 61 116.951 116.951 111.829 5.122 18166 7853 1 13 . 1 1 61 61 THR HA H 61 4.264 4.264 2.906 1.358 18166 7854 1 13 . 1 1 61 61 THR CA C 61 67.645 67.645 65.656 1.989 18166 7855 1 13 . 1 1 61 61 THR CB C 61 67.784 67.784 68.106 -0.322 18166 7856 1 13 . 1 1 61 61 THR H H 61 8.572 8.572 8.022 0.550 18166 7857 1 13 . 1 1 62 62 LYS N N 62 122.578 122.578 121.477 1.101 18166 7858 1 13 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.186 -0.262 18166 7859 1 13 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.308 -1.102 18166 7860 1 13 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.015 -1.221 18166 7861 1 13 . 1 1 62 62 LYS H H 62 7.410 7.410 7.630 -0.220 18166 7862 1 13 . 1 1 63 63 LEU N N 63 117.404 117.404 118.150 -0.746 18166 7863 1 13 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.295 -0.079 18166 7864 1 13 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.093 -1.048 18166 7865 1 13 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.243 -0.600 18166 7866 1 13 . 1 1 63 63 LEU H H 63 7.397 7.397 7.586 -0.189 18166 7867 1 13 . 1 1 64 64 LEU N N 64 113.668 113.668 114.827 -1.159 18166 7868 1 13 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.269 -1.299 18166 7869 1 13 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.229 -1.411 18166 7870 1 13 . 1 1 64 64 LEU CB C 64 37.251 37.251 38.986 -1.735 18166 7871 1 13 . 1 1 64 64 LEU H H 64 7.457 7.457 7.641 -0.184 18166 7872 1 13 . 1 1 65 65 GLU N N 65 120.636 120.636 120.041 0.595 18166 7873 1 13 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.490 -0.087 18166 7874 1 13 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.117 -1.887 18166 7875 1 13 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.518 -0.428 18166 7876 1 13 . 1 1 65 65 GLU H H 65 8.085 8.085 8.343 -0.258 18166 7877 1 13 . 1 1 66 66 PHE N N 66 118.292 118.292 120.268 -1.976 18166 7878 1 13 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.119 -0.093 18166 7879 1 13 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.027 -1.038 18166 7880 1 13 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.689 -0.406 18166 7881 1 13 . 1 1 66 66 PHE H H 66 6.812 6.812 7.750 -0.938 18166 7882 1 13 . 1 1 67 67 GLN N N 67 117.166 117.166 117.801 -0.635 18166 7883 1 13 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.042 -0.059 18166 7884 1 13 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.756 -0.078 18166 7885 1 13 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.872 -1.028 18166 7886 1 13 . 1 1 67 67 GLN H H 67 8.589 8.589 8.629 -0.040 18166 7887 1 13 . 1 1 68 68 LEU N N 68 119.871 119.871 119.423 0.448 18166 7888 1 13 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.901 -0.135 18166 7889 1 13 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.924 0.551 18166 7890 1 13 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.752 -2.732 18166 7891 1 13 . 1 1 68 68 LEU H H 68 7.422 7.422 7.871 -0.449 18166 7892 1 13 . 1 1 69 69 ALA N N 69 121.380 121.380 121.840 -0.460 18166 7893 1 13 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.126 0.007 18166 7894 1 13 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.004 0.824 18166 7895 1 13 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.454 0.053 18166 7896 1 13 . 1 1 69 69 ALA H H 69 7.871 7.871 7.630 0.241 18166 7897 1 13 . 1 1 70 70 LEU N N 70 118.569 118.569 119.202 -0.633 18166 7898 1 13 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.958 -0.144 18166 7899 1 13 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.709 0.870 18166 7900 1 13 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.940 -1.014 18166 7901 1 13 . 1 1 70 70 LEU H H 70 8.519 8.519 8.339 0.180 18166 7902 1 13 . 1 1 71 71 LYS N N 71 119.700 119.700 117.828 1.872 18166 7903 1 13 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.893 0.084 18166 7904 1 13 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.349 -0.154 18166 7905 1 13 . 1 1 71 71 LYS H H 71 7.619 7.619 7.423 0.196 18166 7906 1 13 . 1 1 72 72 ASP N N 72 121.506 121.506 120.279 1.227 18166 7907 1 13 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.651 -0.037 18166 7908 1 13 . 1 1 72 72 ASP CA C 72 57.293 57.293 56.921 0.372 18166 7909 1 13 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.261 -1.278 18166 7910 1 13 . 1 1 72 72 ASP H H 72 7.460 7.460 8.361 -0.901 18166 7911 1 13 . 1 1 73 73 CYS N N 73 118.302 118.302 116.612 1.690 18166 7912 1 13 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.349 -0.515 18166 7913 1 13 . 1 1 73 73 CYS CA C 73 64.687 64.687 60.664 4.023 18166 7914 1 13 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.125 -0.579 18166 7915 1 13 . 1 1 73 73 CYS H H 73 8.366 8.366 7.626 0.740 18166 7916 1 13 . 1 1 74 74 GLU N N 74 117.660 117.660 122.403 -4.743 18166 7917 1 13 . 1 1 74 74 GLU HA H 74 3.901 3.901 3.965 -0.064 18166 7918 1 13 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.683 -1.470 18166 7919 1 13 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.267 -1.251 18166 7920 1 13 . 1 1 74 74 GLU H H 74 8.244 8.244 8.273 -0.029 18166 7921 1 13 . 1 1 75 75 GLU N N 75 119.807 119.807 118.604 1.203 18166 7922 1 13 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.085 -0.192 18166 7923 1 13 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.594 -0.445 18166 7924 1 13 . 1 1 75 75 GLU CB C 75 26.674 26.674 28.936 -2.262 18166 7925 1 13 . 1 1 75 75 GLU H H 75 7.394 7.394 8.180 -0.786 18166 7926 1 13 . 1 1 76 76 CYS N N 76 118.342 118.342 119.727 -1.385 18166 7927 1 13 . 1 1 76 76 CYS HA H 76 3.841 3.841 4.004 -0.163 18166 7928 1 13 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.510 2.793 18166 7929 1 13 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.297 0.074 18166 7930 1 13 . 1 1 76 76 CYS H H 76 7.852 7.852 7.880 -0.028 18166 7931 1 13 . 1 1 77 77 ILE N N 77 117.728 117.728 119.687 -1.959 18166 7932 1 13 . 1 1 77 77 ILE HA H 77 3.480 3.480 3.799 -0.319 18166 7933 1 13 . 1 1 77 77 ILE CA C 77 64.209 64.209 64.172 0.037 18166 7934 1 13 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.798 0.750 18166 7935 1 13 . 1 1 77 77 ILE H H 77 7.897 7.897 7.438 0.459 18166 7936 1 13 . 1 1 78 78 GLN N N 78 117.037 117.037 117.320 -0.283 18166 7937 1 13 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.090 -0.185 18166 7938 1 13 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.729 0.485 18166 7939 1 13 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.782 -0.432 18166 7940 1 13 . 1 1 78 78 GLN H H 78 7.655 7.655 7.720 -0.065 18166 7941 1 13 . 1 1 79 79 LEU N N 79 118.180 118.180 119.145 -0.965 18166 7942 1 13 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.351 -0.256 18166 7943 1 13 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.973 0.542 18166 7944 1 13 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.953 1.091 18166 7945 1 13 . 1 1 79 79 LEU H H 79 8.021 8.021 7.286 0.735 18166 7946 1 13 . 1 1 80 80 GLU N N 80 117.250 117.250 116.786 0.464 18166 7947 1 13 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.775 0.061 18166 7948 1 13 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.605 -0.063 18166 7949 1 13 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.893 -1.114 18166 7950 1 13 . 1 1 80 80 GLU H H 80 8.403 8.403 8.118 0.285 18166 7951 1 13 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.718 0.148 18166 7952 1 13 . 1 1 81 81 PRO CA C 81 64.745 64.745 63.850 0.895 18166 7953 1 13 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.194 -0.442 18166 7954 1 13 . 1 1 82 82 THR N N 82 107.443 107.443 108.304 -0.861 18166 7955 1 13 . 1 1 82 82 THR HA H 82 4.607 4.607 4.286 0.321 18166 7956 1 13 . 1 1 82 82 THR CA C 82 61.139 61.139 62.012 -0.873 18166 7957 1 13 . 1 1 82 82 THR CB C 82 68.785 68.785 68.606 0.179 18166 7958 1 13 . 1 1 82 82 THR H H 82 8.129 8.129 7.879 0.250 18166 7959 1 13 . 1 1 83 83 PHE N N 83 123.490 123.490 124.059 -0.569 18166 7960 1 13 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.555 0.575 18166 7961 1 13 . 1 1 83 83 PHE CA C 83 55.712 55.712 57.617 -1.905 18166 7962 1 13 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.906 -0.643 18166 7963 1 13 . 1 1 83 83 PHE H H 83 8.022 8.022 7.617 0.405 18166 7964 1 13 . 1 1 84 84 ILE N N 84 131.837 131.837 127.722 4.115 18166 7965 1 13 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.647 0.303 18166 7966 1 13 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.698 -0.468 18166 7967 1 13 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.858 0.112 18166 7968 1 13 . 1 1 84 84 ILE H H 84 8.955 8.955 7.798 1.157 18166 7969 1 13 . 1 1 85 85 LYS N N 85 115.465 115.465 117.783 -2.318 18166 7970 1 13 . 1 1 85 85 LYS HA H 85 4.458 4.458 3.960 0.498 18166 7971 1 13 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.008 -1.672 18166 7972 1 13 . 1 1 85 85 LYS CB C 85 31.481 31.481 30.738 0.743 18166 7973 1 13 . 1 1 85 85 LYS H H 85 6.000 6.000 7.542 -1.542 18166 7974 1 13 . 1 1 86 86 GLY N N 86 103.958 103.958 107.372 -3.414 18166 7975 1 13 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.232 0.929 18166 7976 1 13 . 1 1 86 86 GLY H H 86 6.966 6.966 7.765 -0.799 18166 7977 1 13 . 1 1 87 87 TYR N N 87 115.851 115.851 121.136 -5.285 18166 7978 1 13 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.301 -0.361 18166 7979 1 13 . 1 1 87 87 TYR CA C 87 60.197 60.197 61.122 -0.925 18166 7980 1 13 . 1 1 87 87 TYR CB C 87 38.233 38.233 38.130 0.103 18166 7981 1 13 . 1 1 87 87 TYR H H 87 6.814 6.814 7.827 -1.013 18166 7982 1 13 . 1 1 88 88 THR N N 88 109.840 109.840 116.906 -7.066 18166 7983 1 13 . 1 1 88 88 THR HA H 88 4.328 4.328 4.112 0.216 18166 7984 1 13 . 1 1 88 88 THR CA C 88 66.353 66.353 66.914 -0.561 18166 7985 1 13 . 1 1 88 88 THR CB C 88 66.371 66.371 68.357 -1.986 18166 7986 1 13 . 1 1 88 88 THR H H 88 8.318 8.318 7.929 0.389 18166 7987 1 13 . 1 1 89 89 ARG N N 89 121.855 121.855 120.998 0.857 18166 7988 1 13 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.162 -0.085 18166 7989 1 13 . 1 1 89 89 ARG CA C 89 59.029 59.029 58.713 0.316 18166 7990 1 13 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.843 -0.570 18166 7991 1 13 . 1 1 89 89 ARG H H 89 8.320 8.320 8.158 0.162 18166 7992 1 13 . 1 1 90 90 LYS N N 90 124.436 124.436 120.735 3.701 18166 7993 1 13 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.081 -0.152 18166 7994 1 13 . 1 1 90 90 LYS CA C 90 59.862 59.862 59.127 0.735 18166 7995 1 13 . 1 1 90 90 LYS H H 90 7.379 7.379 7.687 -0.308 18166 7996 1 13 . 1 1 91 91 ALA N N 91 121.179 121.179 120.252 0.927 18166 7997 1 13 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.072 -0.580 18166 7998 1 13 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.270 -0.217 18166 7999 1 13 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.341 -2.897 18166 8000 1 13 . 1 1 91 91 ALA H H 91 8.460 8.460 7.981 0.479 18166 8001 1 13 . 1 1 92 92 ALA N N 92 118.165 118.165 120.330 -2.165 18166 8002 1 13 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.043 0.081 18166 8003 1 13 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.670 0.197 18166 8004 1 13 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.733 -0.713 18166 8005 1 13 . 1 1 92 92 ALA H H 92 7.871 7.871 7.625 0.245 18166 8006 1 13 . 1 1 93 93 ALA N N 93 123.065 123.065 122.072 0.993 18166 8007 1 13 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.267 -0.277 18166 8008 1 13 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.863 0.474 18166 8009 1 13 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.493 -1.872 18166 8010 1 13 . 1 1 93 93 ALA H H 93 7.649 7.649 7.847 -0.198 18166 8011 1 13 . 1 1 94 94 LEU N N 94 117.762 117.762 119.331 -1.569 18166 8012 1 13 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.856 0.260 18166 8013 1 13 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.774 -0.124 18166 8014 1 13 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.495 0.307 18166 8015 1 13 . 1 1 94 94 LEU H H 94 7.847 7.847 8.379 -0.532 18166 8016 1 13 . 1 1 95 95 GLU N N 95 121.139 121.139 119.052 2.087 18166 8017 1 13 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.045 -0.691 18166 8018 1 13 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.506 -0.378 18166 8019 1 13 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.635 -0.242 18166 8020 1 13 . 1 1 95 95 GLU H H 95 8.971 8.971 8.271 0.700 18166 8021 1 13 . 1 1 96 96 ALA N N 96 124.630 124.630 120.300 4.330 18166 8022 1 13 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.123 -0.172 18166 8023 1 13 . 1 1 96 96 ALA CA C 96 54.572 54.572 54.107 0.465 18166 8024 1 13 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.658 -1.299 18166 8025 1 13 . 1 1 96 96 ALA H H 96 7.890 7.890 7.685 0.205 18166 8026 1 13 . 1 1 97 97 MET N N 97 115.484 115.484 116.683 -1.199 18166 8027 1 13 . 1 1 97 97 MET HA H 97 3.714 3.714 4.454 -0.740 18166 8028 1 13 . 1 1 97 97 MET CA C 97 56.071 56.071 53.896 2.175 18166 8029 1 13 . 1 1 97 97 MET CB C 97 33.654 33.654 32.249 1.405 18166 8030 1 13 . 1 1 97 97 MET H H 97 7.155 7.155 7.521 -0.366 18166 8031 1 13 . 1 1 98 98 LYS N N 98 112.882 112.882 114.268 -1.386 18166 8032 1 13 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.135 -0.405 18166 8033 1 13 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.181 -0.429 18166 8034 1 13 . 1 1 98 98 LYS CB C 98 28.120 28.120 28.937 -0.817 18166 8035 1 13 . 1 1 98 98 LYS H H 98 7.597 7.597 7.515 0.082 18166 8036 1 13 . 1 1 99 99 ASP N N 99 120.642 120.642 120.863 -0.221 18166 8037 1 13 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.669 0.168 18166 8038 1 13 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.911 -3.150 18166 8039 1 13 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.283 -1.604 18166 8040 1 13 . 1 1 99 99 ASP H H 99 7.888 7.888 8.039 -0.151 18166 8041 1 13 . 1 1 100 100 TYR N N 100 117.948 117.948 119.880 -1.932 18166 8042 1 13 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.160 -0.215 18166 8043 1 13 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.501 1.433 18166 8044 1 13 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.226 0.413 18166 8045 1 13 . 1 1 100 100 TYR H H 100 6.984 6.984 7.288 -0.304 18166 8046 1 13 . 1 1 101 101 THR N N 101 113.752 113.752 109.200 4.552 18166 8047 1 13 . 1 1 101 101 THR HA H 101 4.008 4.008 4.070 -0.062 18166 8048 1 13 . 1 1 101 101 THR CA C 101 65.857 65.857 64.683 1.174 18166 8049 1 13 . 1 1 101 101 THR CB C 101 67.689 67.689 68.530 -0.841 18166 8050 1 13 . 1 1 101 101 THR H H 101 8.543 8.543 8.249 0.294 18166 8051 1 13 . 1 1 102 102 LYS N N 102 120.641 120.641 121.517 -0.876 18166 8052 1 13 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.367 -0.225 18166 8053 1 13 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.522 1.564 18166 8054 1 13 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.830 0.349 18166 8055 1 13 . 1 1 102 102 LYS H H 102 7.348 7.348 7.643 -0.295 18166 8056 1 13 . 1 1 103 103 ALA N N 103 120.302 120.302 123.317 -3.015 18166 8057 1 13 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.085 -0.420 18166 8058 1 13 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.385 0.271 18166 8059 1 13 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.514 0.375 18166 8060 1 13 . 1 1 103 103 ALA H H 103 8.344 8.344 8.219 0.125 18166 8061 1 13 . 1 1 104 104 MET N N 104 116.430 116.430 113.412 3.018 18166 8062 1 13 . 1 1 104 104 MET HA H 104 3.939 3.939 4.531 -0.592 18166 8063 1 13 . 1 1 104 104 MET CA C 104 61.020 61.020 58.514 2.506 18166 8064 1 13 . 1 1 104 104 MET CB C 104 33.904 33.904 32.519 1.385 18166 8065 1 13 . 1 1 104 104 MET H H 104 8.375 8.375 8.154 0.221 18166 8066 1 13 . 1 1 105 105 ASP N N 105 117.449 117.449 119.923 -2.474 18166 8067 1 13 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.672 -0.162 18166 8068 1 13 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.014 0.099 18166 8069 1 13 . 1 1 105 105 ASP CB C 105 40.209 40.209 41.530 -1.321 18166 8070 1 13 . 1 1 105 105 ASP H H 105 7.319 7.319 7.960 -0.641 18166 8071 1 13 . 1 1 106 106 VAL N N 106 121.168 121.168 120.457 0.711 18166 8072 1 13 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.866 -0.116 18166 8073 1 13 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.972 0.008 18166 8074 1 13 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.947 -1.186 18166 8075 1 13 . 1 1 106 106 VAL H H 106 7.825 7.825 7.264 0.561 18166 8076 1 13 . 1 1 107 107 TYR N N 107 120.714 120.714 118.686 2.028 18166 8077 1 13 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.108 0.163 18166 8078 1 13 . 1 1 107 107 TYR CA C 107 62.453 62.453 60.974 1.479 18166 8079 1 13 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.580 0.574 18166 8080 1 13 . 1 1 107 107 TYR H H 107 9.215 9.215 8.440 0.775 18166 8081 1 13 . 1 1 108 108 GLN N N 108 117.293 117.293 119.471 -2.178 18166 8082 1 13 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.383 0.450 18166 8083 1 13 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.341 0.361 18166 8084 1 13 . 1 1 108 108 GLN CB C 108 28.245 28.245 27.661 0.584 18166 8085 1 13 . 1 1 108 108 GLN H H 108 8.605 8.605 7.873 0.732 18166 8086 1 13 . 1 1 109 109 LYS N N 109 120.342 120.342 118.356 1.986 18166 8087 1 13 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.986 0.016 18166 8088 1 13 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.106 0.431 18166 8089 1 13 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.003 -0.981 18166 8090 1 13 . 1 1 109 109 LYS H H 109 7.571 7.571 7.617 -0.046 18166 8091 1 13 . 1 1 110 110 ALA N N 110 119.851 119.851 122.699 -2.848 18166 8092 1 13 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.649 0.130 18166 8093 1 13 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.854 0.198 18166 8094 1 13 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.412 -0.724 18166 8095 1 13 . 1 1 110 110 ALA H H 110 7.693 7.693 7.805 -0.112 18166 8096 1 13 . 1 1 111 111 LEU N N 111 117.859 117.859 117.660 0.199 18166 8097 1 13 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.218 -0.141 18166 8098 1 13 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.866 -0.655 18166 8099 1 13 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.730 0.079 18166 8100 1 13 . 1 1 111 111 LEU H H 111 7.811 7.811 7.929 -0.118 18166 8101 1 13 . 1 1 112 112 ASP N N 112 118.421 118.421 117.939 0.482 18166 8102 1 13 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.306 -0.056 18166 8103 1 13 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.409 -0.647 18166 8104 1 13 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.199 -2.004 18166 8105 1 13 . 1 1 112 112 ASP H H 112 8.099 8.099 7.664 0.435 18166 8106 1 13 . 1 1 113 113 LEU N N 113 120.299 120.299 118.983 1.316 18166 8107 1 13 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.053 0.104 18166 8108 1 13 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.644 -0.110 18166 8109 1 13 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.369 0.110 18166 8110 1 13 . 1 1 113 113 LEU H H 113 7.319 7.319 7.249 0.070 18166 8111 1 13 . 1 1 114 114 ASP N N 114 118.196 118.196 114.176 4.020 18166 8112 1 13 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.727 -0.089 18166 8113 1 13 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.728 -0.540 18166 8114 1 13 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.519 -2.252 18166 8115 1 13 . 1 1 114 114 ASP H H 114 8.190 8.190 7.584 0.606 18166 8116 1 13 . 1 1 115 115 SER N N 115 121.421 121.421 119.588 1.833 18166 8117 1 13 . 1 1 115 115 SER HA H 115 4.272 4.272 4.192 0.080 18166 8118 1 13 . 1 1 115 115 SER CA C 115 60.133 60.133 61.180 -1.047 18166 8119 1 13 . 1 1 115 115 SER CB C 115 62.791 62.791 63.292 -0.501 18166 8120 1 13 . 1 1 115 115 SER H H 115 8.775 8.775 8.752 0.023 18166 8121 1 13 . 1 1 116 116 SER N N 116 116.860 116.860 116.928 -0.068 18166 8122 1 13 . 1 1 116 116 SER HA H 116 4.481 4.481 4.287 0.194 18166 8123 1 13 . 1 1 116 116 SER CA C 116 57.961 57.961 59.952 -1.991 18166 8124 1 13 . 1 1 116 116 SER CB C 116 63.960 63.960 62.736 1.224 18166 8125 1 13 . 1 1 116 116 SER H H 116 8.404 8.404 8.153 0.251 18166 8126 1 13 . 1 1 117 117 CYS N N 117 121.814 121.814 122.196 -0.382 18166 8127 1 13 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.447 -0.136 18166 8128 1 13 . 1 1 117 117 CYS CA C 117 58.972 58.972 57.703 1.269 18166 8129 1 13 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.488 -0.622 18166 8130 1 13 . 1 1 117 117 CYS H H 117 7.401 7.401 7.734 -0.333 18166 8131 1 13 . 1 1 118 118 LYS N N 118 105.939 105.939 120.755 -14.816 18166 8132 1 13 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.888 0.084 18166 8133 1 13 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.391 -0.524 18166 8134 1 13 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.646 0.709 18166 8135 1 13 . 1 1 118 118 LYS H H 118 8.647 8.647 7.982 0.665 18166 8136 1 13 . 1 1 119 119 GLU N N 119 117.724 117.724 118.278 -0.554 18166 8137 1 13 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.062 0.069 18166 8138 1 13 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.956 0.044 18166 8139 1 13 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.830 0.642 18166 8140 1 13 . 1 1 119 119 GLU H H 119 8.998 8.998 8.409 0.589 18166 8141 1 13 . 1 1 120 120 ALA N N 120 120.855 120.855 121.555 -0.700 18166 8142 1 13 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.098 0.270 18166 8143 1 13 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.854 -1.548 18166 8144 1 13 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.402 -0.289 18166 8145 1 13 . 1 1 120 120 ALA H H 120 7.494 7.494 8.364 -0.870 18166 8146 1 13 . 1 1 121 121 ALA N N 121 123.265 123.265 121.543 1.722 18166 8147 1 13 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.153 -0.158 18166 8148 1 13 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.910 -0.118 18166 8149 1 13 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.494 -0.689 18166 8150 1 13 . 1 1 121 121 ALA H H 121 7.914 7.914 7.703 0.211 18166 8151 1 13 . 1 1 122 122 ASP N N 122 118.732 118.732 118.681 0.051 18166 8152 1 13 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.322 -0.051 18166 8153 1 13 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.403 -1.161 18166 8154 1 13 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.787 -1.672 18166 8155 1 13 . 1 1 122 122 ASP H H 122 8.964 8.964 8.343 0.621 18166 8156 1 13 . 1 1 123 123 GLY N N 123 108.568 108.568 106.843 1.725 18166 8157 1 13 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.785 -0.171 18166 8158 1 13 . 1 1 123 123 GLY H H 123 7.572 7.572 8.067 -0.495 18166 8159 1 13 . 1 1 124 124 TYR N N 124 122.944 122.944 123.756 -0.812 18166 8160 1 13 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.896 -0.282 18166 8161 1 13 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.438 2.746 18166 8162 1 13 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.647 0.250 18166 8163 1 13 . 1 1 124 124 TYR H H 124 8.162 8.162 7.983 0.179 18166 8164 1 13 . 1 1 125 125 GLN N N 125 115.988 115.988 117.589 -1.601 18166 8165 1 13 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.573 0.302 18166 8166 1 13 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.824 -0.204 18166 8167 1 13 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.886 0.251 18166 8168 1 13 . 1 1 125 125 GLN H H 125 7.510 7.510 7.838 -0.328 18166 8169 1 13 . 1 1 126 126 ARG N N 126 118.626 118.626 119.168 -0.542 18166 8170 1 13 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.032 -0.099 18166 8171 1 13 . 1 1 126 126 ARG CA C 126 59.817 59.817 59.054 0.763 18166 8172 1 13 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.299 0.793 18166 8173 1 13 . 1 1 126 126 ARG H H 126 8.139 8.139 7.551 0.588 18166 8174 1 13 . 1 1 127 127 CYS N N 127 116.985 116.985 117.047 -0.062 18166 8175 1 13 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.015 -0.126 18166 8176 1 13 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.032 1.931 18166 8177 1 13 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.984 -0.218 18166 8178 1 13 . 1 1 127 127 CYS H H 127 8.097 8.097 7.338 0.759 18166 8179 1 13 . 1 1 128 128 MET N N 128 120.493 120.493 118.566 1.927 18166 8180 1 13 . 1 1 128 128 MET HA H 128 3.989 3.989 3.879 0.110 18166 8181 1 13 . 1 1 128 128 MET CA C 128 58.420 58.420 58.343 0.077 18166 8182 1 13 . 1 1 128 128 MET CB C 128 31.539 31.539 31.967 -0.428 18166 8183 1 13 . 1 1 128 128 MET H H 128 8.163 8.163 7.924 0.239 18166 8184 1 13 . 1 1 129 129 MET N N 129 115.583 115.583 116.851 -1.268 18166 8185 1 13 . 1 1 129 129 MET HA H 129 4.211 4.211 4.250 -0.039 18166 8186 1 13 . 1 1 129 129 MET CA C 129 56.677 56.677 57.637 -0.960 18166 8187 1 13 . 1 1 129 129 MET CB C 129 31.951 31.951 32.090 -0.140 18166 8188 1 13 . 1 1 129 129 MET H H 129 7.723 7.723 7.366 0.357 18166 8189 1 13 . 1 1 130 130 ALA N N 130 121.061 121.061 121.292 -0.231 18166 8190 1 13 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.865 0.043 18166 8191 1 13 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.202 -1.122 18166 8192 1 13 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.048 -1.544 18166 8193 1 13 . 1 1 130 130 ALA H H 130 7.458 7.458 7.372 0.086 18166 8194 1 13 . 1 1 131 131 GLN N N 131 114.560 114.560 115.174 -0.614 18166 8195 1 13 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.160 -0.154 18166 8196 1 13 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.227 -0.424 18166 8197 1 13 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.901 0.204 18166 8198 1 13 . 1 1 131 131 GLN H H 131 7.214 7.214 7.204 0.010 18166 8199 1 13 . 1 1 132 132 TYR N N 132 117.856 117.856 117.347 0.509 18166 8200 1 13 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.761 -0.119 18166 8201 1 13 . 1 1 132 132 TYR CA C 132 57.558 57.558 54.947 2.611 18166 8202 1 13 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.935 1.377 18166 8203 1 13 . 1 1 132 132 TYR H H 132 7.545 7.545 7.192 0.353 18166 8204 1 14 . 1 1 2 2 GLY N N 2 109.986 109.986 109.137 0.849 18166 8205 1 14 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.964 -0.153 18166 8206 1 14 . 1 1 2 2 GLY H H 2 8.520 8.520 8.580 -0.060 18166 8207 1 14 . 1 1 3 3 HIS N N 3 117.442 117.442 118.519 -1.077 18166 8208 1 14 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.660 -0.040 18166 8209 1 14 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.480 -2.052 18166 8210 1 14 . 1 1 3 3 HIS H H 3 8.406 8.406 8.003 0.403 18166 8211 1 14 . 1 1 4 4 HIS N N 4 118.932 118.932 122.925 -3.993 18166 8212 1 14 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.712 -0.084 18166 8213 1 14 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.406 -0.499 18166 8214 1 14 . 1 1 4 4 HIS CB C 4 28.198 28.198 31.536 -3.338 18166 8215 1 14 . 1 1 4 4 HIS H H 4 8.552 8.552 8.210 0.342 18166 8216 1 14 . 1 1 5 5 HIS N N 5 119.580 119.580 121.026 -1.446 18166 8217 1 14 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.706 -0.058 18166 8218 1 14 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.965 -0.832 18166 8219 1 14 . 1 1 5 5 HIS CB C 5 28.761 28.761 29.971 -1.210 18166 8220 1 14 . 1 1 5 5 HIS H H 5 8.615 8.615 8.757 -0.142 18166 8221 1 14 . 1 1 6 6 HIS N N 6 121.369 121.369 118.402 2.967 18166 8222 1 14 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.065 0.583 18166 8223 1 14 . 1 1 6 6 HIS CA C 6 54.949 54.949 58.200 -3.252 18166 8224 1 14 . 1 1 6 6 HIS CB C 6 29.100 29.100 28.618 0.482 18166 8225 1 14 . 1 1 6 6 HIS H H 6 8.732 8.732 8.514 0.218 18166 8226 1 14 . 1 1 7 7 HIS N N 7 120.276 120.276 116.491 3.785 18166 8227 1 14 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.346 0.296 18166 8228 1 14 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.388 -1.241 18166 8229 1 14 . 1 1 7 7 HIS CB C 7 28.825 28.825 29.008 -0.183 18166 8230 1 14 . 1 1 7 7 HIS H H 7 8.708 8.708 8.183 0.525 18166 8231 1 14 . 1 1 8 8 HIS N N 8 120.007 120.007 120.752 -0.745 18166 8232 1 14 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.475 0.221 18166 8233 1 14 . 1 1 8 8 HIS CA C 8 54.861 54.861 57.349 -2.488 18166 8234 1 14 . 1 1 8 8 HIS CB C 8 28.696 28.696 28.439 0.256 18166 8235 1 14 . 1 1 8 8 HIS H H 8 8.708 8.708 8.591 0.117 18166 8236 1 14 . 1 1 9 9 SER N N 9 117.977 117.977 120.992 -3.015 18166 8237 1 14 . 1 1 9 9 SER HA H 9 4.404 4.404 4.523 -0.119 18166 8238 1 14 . 1 1 9 9 SER CA C 9 57.718 57.718 56.872 0.846 18166 8239 1 14 . 1 1 9 9 SER CB C 9 63.246 63.246 65.572 -2.326 18166 8240 1 14 . 1 1 9 9 SER H H 9 8.535 8.535 7.846 0.689 18166 8241 1 14 . 1 1 10 10 HIS N N 10 120.441 120.441 117.080 3.361 18166 8242 1 14 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.551 0.144 18166 8243 1 14 . 1 1 10 10 HIS H H 10 8.744 8.744 8.399 0.345 18166 8244 1 14 . 1 1 11 11 MET N N 11 122.004 122.004 116.435 5.569 18166 8245 1 14 . 1 1 11 11 MET HA H 11 4.427 4.427 4.122 0.305 18166 8246 1 14 . 1 1 11 11 MET CA C 11 54.665 54.665 57.780 -3.115 18166 8247 1 14 . 1 1 11 11 MET CB C 11 32.913 32.913 32.625 0.288 18166 8248 1 14 . 1 1 11 11 MET H H 11 8.443 8.443 8.414 0.029 18166 8249 1 14 . 1 1 12 12 ASN N N 12 121.852 121.852 117.257 4.595 18166 8250 1 14 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.994 -0.057 18166 8251 1 14 . 1 1 12 12 ASN CA C 12 51.380 51.380 50.872 0.508 18166 8252 1 14 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.551 -0.238 18166 8253 1 14 . 1 1 12 12 ASN H H 12 8.631 8.631 8.108 0.523 18166 8254 1 14 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.211 0.149 18166 8255 1 14 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.181 -1.032 18166 8256 1 14 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.378 -0.626 18166 8257 1 14 . 1 1 14 14 ASP N N 14 119.643 119.643 115.810 3.833 18166 8258 1 14 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.734 -0.191 18166 8259 1 14 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.442 0.586 18166 8260 1 14 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.112 -1.350 18166 8261 1 14 . 1 1 14 14 ASP H H 14 8.344 8.344 7.903 0.441 18166 8262 1 14 . 1 1 15 15 LEU N N 15 123.333 123.333 126.115 -2.782 18166 8263 1 14 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.155 -0.006 18166 8264 1 14 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.062 -0.619 18166 8265 1 14 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.858 -0.482 18166 8266 1 14 . 1 1 15 15 LEU H H 15 8.119 8.119 8.635 -0.516 18166 8267 1 14 . 1 1 16 16 ALA N N 16 121.879 121.879 121.141 0.738 18166 8268 1 14 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.049 0.065 18166 8269 1 14 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.682 -1.312 18166 8270 1 14 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.753 -0.705 18166 8271 1 14 . 1 1 16 16 ALA H H 16 8.212 8.212 8.209 0.003 18166 8272 1 14 . 1 1 17 17 LEU N N 17 118.990 118.990 114.913 4.077 18166 8273 1 14 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.415 -0.276 18166 8274 1 14 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.267 -1.158 18166 8275 1 14 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.148 -0.772 18166 8276 1 14 . 1 1 17 17 LEU H H 17 7.719 7.719 7.593 0.126 18166 8277 1 14 . 1 1 18 18 MET N N 18 118.534 118.534 117.771 0.763 18166 8278 1 14 . 1 1 18 18 MET HA H 18 4.274 4.274 4.303 -0.029 18166 8279 1 14 . 1 1 18 18 MET CA C 18 56.497 56.497 56.240 0.257 18166 8280 1 14 . 1 1 18 18 MET CB C 18 31.787 31.787 31.574 0.213 18166 8281 1 14 . 1 1 18 18 MET H H 18 7.996 7.996 7.249 0.747 18166 8282 1 14 . 1 1 19 19 VAL N N 19 119.243 119.243 119.824 -0.581 18166 8283 1 14 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.640 0.193 18166 8284 1 14 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.654 -1.920 18166 8285 1 14 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.742 -0.086 18166 8286 1 14 . 1 1 19 19 VAL H H 19 7.915 7.915 8.247 -0.332 18166 8287 1 14 . 1 1 20 20 LYS N N 20 123.321 123.321 118.998 4.323 18166 8288 1 14 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.195 -0.218 18166 8289 1 14 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.569 -1.226 18166 8290 1 14 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.838 0.158 18166 8291 1 14 . 1 1 20 20 LYS H H 20 8.139 8.139 7.822 0.317 18166 8292 1 14 . 1 1 21 21 ASN N N 21 118.732 118.732 119.388 -0.656 18166 8293 1 14 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.461 0.117 18166 8294 1 14 . 1 1 21 21 ASN CA C 21 54.240 54.240 55.984 -1.744 18166 8295 1 14 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.304 -0.565 18166 8296 1 14 . 1 1 21 21 ASN H H 21 8.349 8.349 7.732 0.617 18166 8297 1 14 . 1 1 22 22 LYS N N 22 121.941 121.941 119.678 2.263 18166 8298 1 14 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.337 -0.313 18166 8299 1 14 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.791 -0.481 18166 8300 1 14 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.781 -0.262 18166 8301 1 14 . 1 1 22 22 LYS H H 22 8.185 8.185 7.614 0.571 18166 8302 1 14 . 1 1 23 23 GLY N N 23 107.792 107.792 107.875 -0.083 18166 8303 1 14 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.792 0.974 18166 8304 1 14 . 1 1 23 23 GLY H H 23 8.336 8.336 8.174 0.162 18166 8305 1 14 . 1 1 24 24 ASN N N 24 120.049 120.049 119.609 0.440 18166 8306 1 14 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.812 -0.228 18166 8307 1 14 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.906 -0.704 18166 8308 1 14 . 1 1 24 24 ASN CB C 24 37.570 37.570 39.237 -1.667 18166 8309 1 14 . 1 1 24 24 ASN H H 24 8.337 8.337 7.952 0.385 18166 8310 1 14 . 1 1 25 25 GLU N N 25 121.510 121.510 121.219 0.291 18166 8311 1 14 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.074 -0.027 18166 8312 1 14 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.156 -0.179 18166 8313 1 14 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.209 -0.106 18166 8314 1 14 . 1 1 25 25 GLU H H 25 8.366 8.366 7.848 0.518 18166 8315 1 14 . 1 1 26 26 CYS N N 26 116.512 116.512 118.136 -1.624 18166 8316 1 14 . 1 1 26 26 CYS HA H 26 4.102 4.102 3.938 0.164 18166 8317 1 14 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.903 0.101 18166 8318 1 14 . 1 1 26 26 CYS CB C 26 26.256 26.256 25.820 0.436 18166 8319 1 14 . 1 1 26 26 CYS H H 26 8.092 8.092 7.976 0.116 18166 8320 1 14 . 1 1 27 27 PHE N N 27 122.066 122.066 118.172 3.894 18166 8321 1 14 . 1 1 27 27 PHE HA H 27 3.752 3.752 3.485 0.267 18166 8322 1 14 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.302 0.178 18166 8323 1 14 . 1 1 27 27 PHE CB C 27 39.902 39.902 37.636 2.267 18166 8324 1 14 . 1 1 27 27 PHE H H 27 8.756 8.756 7.040 1.716 18166 8325 1 14 . 1 1 28 28 GLN N N 28 119.430 119.430 119.115 0.315 18166 8326 1 14 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.168 -0.152 18166 8327 1 14 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.038 0.087 18166 8328 1 14 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.168 0.042 18166 8329 1 14 . 1 1 28 28 GLN H H 28 8.574 8.574 7.909 0.665 18166 8330 1 14 . 1 1 29 29 LYS N N 29 116.011 116.011 117.039 -1.028 18166 8331 1 14 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.296 -0.052 18166 8332 1 14 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.559 0.539 18166 8333 1 14 . 1 1 29 29 LYS CB C 29 32.536 32.536 31.914 0.622 18166 8334 1 14 . 1 1 29 29 LYS H H 29 7.410 7.410 7.248 0.162 18166 8335 1 14 . 1 1 30 30 GLY N N 30 107.636 107.636 108.937 -1.301 18166 8336 1 14 . 1 1 30 30 GLY CA C 30 44.583 44.583 45.708 -1.125 18166 8337 1 14 . 1 1 30 30 GLY H H 30 7.566 7.566 7.736 -0.170 18166 8338 1 14 . 1 1 31 31 ASP N N 31 120.587 120.587 118.709 1.878 18166 8339 1 14 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.955 -0.287 18166 8340 1 14 . 1 1 31 31 ASP CA C 31 51.041 51.041 52.453 -1.412 18166 8341 1 14 . 1 1 31 31 ASP CB C 31 38.718 38.718 41.373 -2.655 18166 8342 1 14 . 1 1 31 31 ASP H H 31 7.826 7.826 7.891 -0.065 18166 8343 1 14 . 1 1 32 32 TYR N N 32 120.190 120.190 120.641 -0.451 18166 8344 1 14 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.200 -0.428 18166 8345 1 14 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.419 -0.165 18166 8346 1 14 . 1 1 32 32 TYR H H 32 7.313 7.313 8.877 -1.564 18166 8347 1 14 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.244 -0.024 18166 8348 1 14 . 1 1 33 33 PRO CA C 33 66.355 66.355 66.028 0.327 18166 8349 1 14 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.285 0.002 18166 8350 1 14 . 1 1 34 34 GLN N N 34 115.797 115.797 117.929 -2.132 18166 8351 1 14 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.930 -0.005 18166 8352 1 14 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.205 -0.041 18166 8353 1 14 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.275 1.103 18166 8354 1 14 . 1 1 34 34 GLN H H 34 7.278 7.278 8.504 -1.226 18166 8355 1 14 . 1 1 35 35 ALA N N 35 121.852 121.852 122.195 -0.343 18166 8356 1 14 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.954 0.118 18166 8357 1 14 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.551 1.046 18166 8358 1 14 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.521 1.024 18166 8359 1 14 . 1 1 35 35 ALA H H 35 8.376 8.376 7.993 0.383 18166 8360 1 14 . 1 1 36 36 MET N N 36 116.867 116.867 116.648 0.219 18166 8361 1 14 . 1 1 36 36 MET HA H 36 3.887 3.887 4.012 -0.125 18166 8362 1 14 . 1 1 36 36 MET CA C 36 59.400 59.400 59.247 0.153 18166 8363 1 14 . 1 1 36 36 MET CB C 36 30.626 30.626 32.607 -1.981 18166 8364 1 14 . 1 1 36 36 MET H H 36 8.538 8.538 7.680 0.858 18166 8365 1 14 . 1 1 37 37 LYS N N 37 122.037 122.037 118.743 3.294 18166 8366 1 14 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.093 -0.181 18166 8367 1 14 . 1 1 37 37 LYS CA C 37 59.225 59.225 58.831 0.394 18166 8368 1 14 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.091 0.105 18166 8369 1 14 . 1 1 37 37 LYS H H 37 7.599 7.599 7.321 0.278 18166 8370 1 14 . 1 1 38 38 HIS N N 38 117.718 117.718 118.352 -0.634 18166 8371 1 14 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.360 0.275 18166 8372 1 14 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.759 -0.759 18166 8373 1 14 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.677 -1.677 18166 8374 1 14 . 1 1 38 38 HIS H H 38 7.908 7.908 7.987 -0.079 18166 8375 1 14 . 1 1 39 39 TYR N N 39 118.987 118.987 118.347 0.640 18166 8376 1 14 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.468 -0.003 18166 8377 1 14 . 1 1 39 39 TYR CA C 39 60.253 60.253 58.589 1.664 18166 8378 1 14 . 1 1 39 39 TYR CB C 39 36.791 36.791 36.917 -0.126 18166 8379 1 14 . 1 1 39 39 TYR H H 39 9.156 9.156 7.807 1.349 18166 8380 1 14 . 1 1 40 40 THR N N 40 117.147 117.147 116.383 0.764 18166 8381 1 14 . 1 1 40 40 THR HA H 40 3.872 3.872 3.877 -0.005 18166 8382 1 14 . 1 1 40 40 THR CA C 40 67.449 67.449 67.184 0.265 18166 8383 1 14 . 1 1 40 40 THR CB C 40 68.728 68.728 68.524 0.204 18166 8384 1 14 . 1 1 40 40 THR H H 40 8.476 8.476 7.699 0.777 18166 8385 1 14 . 1 1 41 41 GLU N N 41 122.067 122.067 120.396 1.671 18166 8386 1 14 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.112 -0.133 18166 8387 1 14 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.897 -0.152 18166 8388 1 14 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.006 -0.283 18166 8389 1 14 . 1 1 41 41 GLU H H 41 7.762 7.762 7.848 -0.086 18166 8390 1 14 . 1 1 42 42 ALA N N 42 122.040 122.040 122.356 -0.316 18166 8391 1 14 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.135 -0.166 18166 8392 1 14 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.638 0.531 18166 8393 1 14 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.331 0.039 18166 8394 1 14 . 1 1 42 42 ALA H H 42 8.191 8.191 7.434 0.757 18166 8395 1 14 . 1 1 43 43 ILE N N 43 122.662 122.662 117.611 5.051 18166 8396 1 14 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.749 -0.433 18166 8397 1 14 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.706 0.892 18166 8398 1 14 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.883 0.604 18166 8399 1 14 . 1 1 43 43 ILE H H 43 8.427 8.427 8.056 0.371 18166 8400 1 14 . 1 1 44 44 LYS N N 44 117.349 117.349 117.512 -0.163 18166 8401 1 14 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.125 -0.184 18166 8402 1 14 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.782 0.919 18166 8403 1 14 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.156 -0.165 18166 8404 1 14 . 1 1 44 44 LYS H H 44 7.473 7.473 7.366 0.107 18166 8405 1 14 . 1 1 45 45 ARG N N 45 114.723 114.723 118.491 -3.768 18166 8406 1 14 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.281 -0.108 18166 8407 1 14 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.158 0.248 18166 8408 1 14 . 1 1 45 45 ARG CB C 45 30.337 30.337 30.795 -0.458 18166 8409 1 14 . 1 1 45 45 ARG H H 45 7.150 7.150 7.970 -0.820 18166 8410 1 14 . 1 1 46 46 ASN N N 46 115.919 115.919 116.210 -0.291 18166 8411 1 14 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.155 -0.082 18166 8412 1 14 . 1 1 46 46 ASN CA C 46 51.157 51.157 50.836 0.321 18166 8413 1 14 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.785 -1.154 18166 8414 1 14 . 1 1 46 46 ASN H H 46 7.885 7.885 8.102 -0.217 18166 8415 1 14 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.623 0.109 18166 8416 1 14 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.045 0.160 18166 8417 1 14 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.354 -0.400 18166 8418 1 14 . 1 1 48 48 LYS N N 48 118.494 118.494 118.897 -0.403 18166 8419 1 14 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.327 0.308 18166 8420 1 14 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.411 -1.411 18166 8421 1 14 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.939 -0.512 18166 8422 1 14 . 1 1 48 48 LYS H H 48 8.154 8.154 8.290 -0.136 18166 8423 1 14 . 1 1 49 49 ASP N N 49 119.387 119.387 121.898 -2.511 18166 8424 1 14 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.619 0.071 18166 8425 1 14 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.986 -2.108 18166 8426 1 14 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.368 -0.342 18166 8427 1 14 . 1 1 49 49 ASP H H 49 7.317 7.317 7.686 -0.369 18166 8428 1 14 . 1 1 50 50 ALA N N 50 128.206 128.206 129.537 -1.331 18166 8429 1 14 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.146 -0.105 18166 8430 1 14 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.936 0.628 18166 8431 1 14 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.569 1.521 18166 8432 1 14 . 1 1 50 50 ALA H H 50 8.466 8.466 8.485 -0.019 18166 8433 1 14 . 1 1 51 51 LYS N N 51 113.628 113.628 117.120 -3.492 18166 8434 1 14 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.237 -0.360 18166 8435 1 14 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.459 0.855 18166 8436 1 14 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.105 0.215 18166 8437 1 14 . 1 1 51 51 LYS H H 51 7.985 7.985 8.498 -0.513 18166 8438 1 14 . 1 1 52 52 LEU N N 52 117.207 117.207 120.339 -3.132 18166 8439 1 14 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.631 0.041 18166 8440 1 14 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.600 -0.322 18166 8441 1 14 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.672 1.420 18166 8442 1 14 . 1 1 52 52 LEU H H 52 7.323 7.323 7.448 -0.125 18166 8443 1 14 . 1 1 53 53 TYR N N 53 116.167 116.167 116.439 -0.272 18166 8444 1 14 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.222 -0.344 18166 8445 1 14 . 1 1 53 53 TYR CA C 53 61.573 61.573 60.879 0.694 18166 8446 1 14 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.889 0.258 18166 8447 1 14 . 1 1 53 53 TYR H H 53 6.955 6.955 7.274 -0.319 18166 8448 1 14 . 1 1 54 54 SER N N 54 112.799 112.799 115.273 -2.474 18166 8449 1 14 . 1 1 54 54 SER HA H 54 3.976 3.976 4.248 -0.272 18166 8450 1 14 . 1 1 54 54 SER CA C 54 61.200 61.200 61.856 -0.656 18166 8451 1 14 . 1 1 54 54 SER CB C 54 62.184 62.184 62.854 -0.670 18166 8452 1 14 . 1 1 54 54 SER H H 54 7.661 7.661 8.409 -0.748 18166 8453 1 14 . 1 1 55 55 ASN N N 55 119.126 119.126 120.212 -1.086 18166 8454 1 14 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.573 -0.474 18166 8455 1 14 . 1 1 55 55 ASN CA C 55 55.241 55.241 54.736 0.505 18166 8456 1 14 . 1 1 55 55 ASN CB C 55 36.277 36.277 38.326 -2.049 18166 8457 1 14 . 1 1 55 55 ASN H H 55 7.729 7.729 7.665 0.064 18166 8458 1 14 . 1 1 56 56 ARG N N 56 122.589 122.589 122.020 0.569 18166 8459 1 14 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.985 0.148 18166 8460 1 14 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.751 1.809 18166 8461 1 14 . 1 1 56 56 ARG CB C 56 29.069 29.069 30.115 -1.046 18166 8462 1 14 . 1 1 56 56 ARG H H 56 8.329 8.329 7.681 0.648 18166 8463 1 14 . 1 1 57 57 ALA N N 57 122.569 122.569 120.817 1.752 18166 8464 1 14 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.251 0.009 18166 8465 1 14 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.989 1.086 18166 8466 1 14 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.428 1.461 18166 8467 1 14 . 1 1 57 57 ALA H H 57 8.857 8.857 8.150 0.707 18166 8468 1 14 . 1 1 58 58 ALA N N 58 120.015 120.015 121.314 -1.299 18166 8469 1 14 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.034 0.049 18166 8470 1 14 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.560 0.490 18166 8471 1 14 . 1 1 58 58 ALA CB C 58 17.824 17.824 17.977 -0.153 18166 8472 1 14 . 1 1 58 58 ALA H H 58 7.574 7.574 7.753 -0.179 18166 8473 1 14 . 1 1 59 59 CYS N N 59 117.074 117.074 117.940 -0.866 18166 8474 1 14 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.132 -0.070 18166 8475 1 14 . 1 1 59 59 CYS CA C 59 63.245 63.245 63.484 -0.239 18166 8476 1 14 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.950 -1.123 18166 8477 1 14 . 1 1 59 59 CYS H H 59 7.523 7.523 7.610 -0.087 18166 8478 1 14 . 1 1 60 60 TYR N N 60 118.554 118.554 118.701 -0.147 18166 8479 1 14 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.149 0.138 18166 8480 1 14 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.288 1.616 18166 8481 1 14 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.498 0.779 18166 8482 1 14 . 1 1 60 60 TYR H H 60 8.684 8.684 7.995 0.689 18166 8483 1 14 . 1 1 61 61 THR N N 61 116.951 116.951 111.660 5.291 18166 8484 1 14 . 1 1 61 61 THR HA H 61 4.264 4.264 2.860 1.404 18166 8485 1 14 . 1 1 61 61 THR CA C 61 67.645 67.645 65.643 2.002 18166 8486 1 14 . 1 1 61 61 THR CB C 61 67.784 67.784 67.935 -0.151 18166 8487 1 14 . 1 1 61 61 THR H H 61 8.572 8.572 8.002 0.570 18166 8488 1 14 . 1 1 62 62 LYS N N 62 122.578 122.578 121.546 1.032 18166 8489 1 14 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.141 -0.217 18166 8490 1 14 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.066 -0.860 18166 8491 1 14 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.910 -1.116 18166 8492 1 14 . 1 1 62 62 LYS H H 62 7.410 7.410 7.611 -0.201 18166 8493 1 14 . 1 1 63 63 LEU N N 63 117.404 117.404 118.125 -0.721 18166 8494 1 14 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.377 -0.161 18166 8495 1 14 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.735 -0.690 18166 8496 1 14 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.351 -0.708 18166 8497 1 14 . 1 1 63 63 LEU H H 63 7.397 7.397 7.496 -0.099 18166 8498 1 14 . 1 1 64 64 LEU N N 64 113.668 113.668 115.434 -1.766 18166 8499 1 14 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.260 -1.290 18166 8500 1 14 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.355 -1.537 18166 8501 1 14 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.083 -1.831 18166 8502 1 14 . 1 1 64 64 LEU H H 64 7.457 7.457 7.711 -0.254 18166 8503 1 14 . 1 1 65 65 GLU N N 65 120.636 120.636 119.778 0.858 18166 8504 1 14 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.480 -0.077 18166 8505 1 14 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.088 -1.858 18166 8506 1 14 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.462 -0.372 18166 8507 1 14 . 1 1 65 65 GLU H H 65 8.085 8.085 8.378 -0.293 18166 8508 1 14 . 1 1 66 66 PHE N N 66 118.292 118.292 120.526 -2.234 18166 8509 1 14 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.094 -0.068 18166 8510 1 14 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.417 -1.428 18166 8511 1 14 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.777 -0.494 18166 8512 1 14 . 1 1 66 66 PHE H H 66 6.812 6.812 7.643 -0.831 18166 8513 1 14 . 1 1 67 67 GLN N N 67 117.166 117.166 117.479 -0.313 18166 8514 1 14 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.079 -0.096 18166 8515 1 14 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.741 -0.063 18166 8516 1 14 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.953 -1.109 18166 8517 1 14 . 1 1 67 67 GLN H H 67 8.589 8.589 8.631 -0.042 18166 8518 1 14 . 1 1 68 68 LEU N N 68 119.871 119.871 119.589 0.282 18166 8519 1 14 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.009 -0.243 18166 8520 1 14 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.802 0.673 18166 8521 1 14 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.844 -2.824 18166 8522 1 14 . 1 1 68 68 LEU H H 68 7.422 7.422 7.799 -0.377 18166 8523 1 14 . 1 1 69 69 ALA N N 69 121.380 121.380 122.356 -0.976 18166 8524 1 14 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.246 -0.113 18166 8525 1 14 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.118 0.710 18166 8526 1 14 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.414 0.093 18166 8527 1 14 . 1 1 69 69 ALA H H 69 7.871 7.871 7.779 0.092 18166 8528 1 14 . 1 1 70 70 LEU N N 70 118.569 118.569 119.156 -0.587 18166 8529 1 14 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.971 -0.157 18166 8530 1 14 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.907 0.672 18166 8531 1 14 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.831 -0.905 18166 8532 1 14 . 1 1 70 70 LEU H H 70 8.519 8.519 8.188 0.331 18166 8533 1 14 . 1 1 71 71 LYS N N 71 119.700 119.700 118.053 1.647 18166 8534 1 14 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.921 0.056 18166 8535 1 14 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.362 -0.167 18166 8536 1 14 . 1 1 71 71 LYS H H 71 7.619 7.619 7.629 -0.010 18166 8537 1 14 . 1 1 72 72 ASP N N 72 121.506 121.506 120.108 1.398 18166 8538 1 14 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.433 0.181 18166 8539 1 14 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.271 0.022 18166 8540 1 14 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.855 -0.873 18166 8541 1 14 . 1 1 72 72 ASP H H 72 7.460 7.460 8.355 -0.895 18166 8542 1 14 . 1 1 73 73 CYS N N 73 118.302 118.302 118.101 0.201 18166 8543 1 14 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.110 -0.276 18166 8544 1 14 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.687 3.000 18166 8545 1 14 . 1 1 73 73 CYS CB C 73 26.546 26.546 26.967 -0.421 18166 8546 1 14 . 1 1 73 73 CYS H H 73 8.366 8.366 7.668 0.698 18166 8547 1 14 . 1 1 74 74 GLU N N 74 117.660 117.660 119.677 -2.017 18166 8548 1 14 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.184 -0.283 18166 8549 1 14 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.590 -0.377 18166 8550 1 14 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.263 -1.247 18166 8551 1 14 . 1 1 74 74 GLU H H 74 8.244 8.244 8.058 0.186 18166 8552 1 14 . 1 1 75 75 GLU N N 75 119.807 119.807 117.399 2.408 18166 8553 1 14 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.221 -0.328 18166 8554 1 14 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.656 0.493 18166 8555 1 14 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.931 -3.257 18166 8556 1 14 . 1 1 75 75 GLU H H 75 7.394 7.394 7.947 -0.553 18166 8557 1 14 . 1 1 76 76 CYS N N 76 118.342 118.342 119.395 -1.053 18166 8558 1 14 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.744 0.097 18166 8559 1 14 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.827 2.476 18166 8560 1 14 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.136 0.235 18166 8561 1 14 . 1 1 76 76 CYS H H 76 7.852 7.852 7.779 0.073 18166 8562 1 14 . 1 1 77 77 ILE N N 77 117.728 117.728 118.721 -0.993 18166 8563 1 14 . 1 1 77 77 ILE HA H 77 3.480 3.480 3.954 -0.474 18166 8564 1 14 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.943 0.266 18166 8565 1 14 . 1 1 77 77 ILE CB C 77 38.549 38.549 38.030 0.519 18166 8566 1 14 . 1 1 77 77 ILE H H 77 7.897 7.897 7.434 0.463 18166 8567 1 14 . 1 1 78 78 GLN N N 78 117.037 117.037 117.165 -0.128 18166 8568 1 14 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.115 -0.210 18166 8569 1 14 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.402 0.812 18166 8570 1 14 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.994 -0.644 18166 8571 1 14 . 1 1 78 78 GLN H H 78 7.655 7.655 7.426 0.229 18166 8572 1 14 . 1 1 79 79 LEU N N 79 118.180 118.180 119.634 -1.454 18166 8573 1 14 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.161 -0.066 18166 8574 1 14 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.628 -0.113 18166 8575 1 14 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.035 1.009 18166 8576 1 14 . 1 1 79 79 LEU H H 79 8.021 8.021 7.420 0.601 18166 8577 1 14 . 1 1 80 80 GLU N N 80 117.250 117.250 116.380 0.870 18166 8578 1 14 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.765 0.071 18166 8579 1 14 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.136 0.406 18166 8580 1 14 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.103 -0.324 18166 8581 1 14 . 1 1 80 80 GLU H H 80 8.403 8.403 7.842 0.561 18166 8582 1 14 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.823 0.043 18166 8583 1 14 . 1 1 81 81 PRO CA C 81 64.745 64.745 63.692 1.053 18166 8584 1 14 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.225 -0.473 18166 8585 1 14 . 1 1 82 82 THR N N 82 107.443 107.443 110.312 -2.869 18166 8586 1 14 . 1 1 82 82 THR HA H 82 4.607 4.607 4.545 0.062 18166 8587 1 14 . 1 1 82 82 THR CA C 82 61.139 61.139 61.234 -0.095 18166 8588 1 14 . 1 1 82 82 THR CB C 82 68.785 68.785 69.379 -0.594 18166 8589 1 14 . 1 1 82 82 THR H H 82 8.129 8.129 7.656 0.473 18166 8590 1 14 . 1 1 83 83 PHE N N 83 123.490 123.490 120.777 2.713 18166 8591 1 14 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.711 0.419 18166 8592 1 14 . 1 1 83 83 PHE CA C 83 55.712 55.712 55.817 -0.105 18166 8593 1 14 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.136 0.127 18166 8594 1 14 . 1 1 83 83 PHE H H 83 8.022 8.022 7.804 0.218 18166 8595 1 14 . 1 1 84 84 ILE N N 84 131.837 131.837 125.101 6.736 18166 8596 1 14 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.826 0.124 18166 8597 1 14 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.248 -0.018 18166 8598 1 14 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.989 -0.020 18166 8599 1 14 . 1 1 84 84 ILE H H 84 8.955 8.955 7.869 1.086 18166 8600 1 14 . 1 1 85 85 LYS N N 85 115.465 115.465 118.577 -3.112 18166 8601 1 14 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.122 0.336 18166 8602 1 14 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.491 -2.155 18166 8603 1 14 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.370 0.111 18166 8604 1 14 . 1 1 85 85 LYS H H 85 6.000 6.000 8.597 -2.597 18166 8605 1 14 . 1 1 86 86 GLY N N 86 103.958 103.958 105.127 -1.169 18166 8606 1 14 . 1 1 86 86 GLY CA C 86 48.161 48.161 45.739 2.422 18166 8607 1 14 . 1 1 86 86 GLY H H 86 6.966 6.966 7.402 -0.436 18166 8608 1 14 . 1 1 87 87 TYR N N 87 115.851 115.851 122.229 -6.378 18166 8609 1 14 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.226 -0.286 18166 8610 1 14 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.776 -0.579 18166 8611 1 14 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.836 0.397 18166 8612 1 14 . 1 1 87 87 TYR H H 87 6.814 6.814 7.215 -0.401 18166 8613 1 14 . 1 1 88 88 THR N N 88 109.840 109.840 114.332 -4.492 18166 8614 1 14 . 1 1 88 88 THR HA H 88 4.328 4.328 3.990 0.338 18166 8615 1 14 . 1 1 88 88 THR CA C 88 66.353 66.353 67.100 -0.747 18166 8616 1 14 . 1 1 88 88 THR CB C 88 66.371 66.371 68.555 -2.184 18166 8617 1 14 . 1 1 88 88 THR H H 88 8.318 8.318 7.822 0.496 18166 8618 1 14 . 1 1 89 89 ARG N N 89 121.855 121.855 120.575 1.280 18166 8619 1 14 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.292 -0.215 18166 8620 1 14 . 1 1 89 89 ARG CA C 89 59.029 59.029 58.030 0.999 18166 8621 1 14 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.517 -0.244 18166 8622 1 14 . 1 1 89 89 ARG H H 89 8.320 8.320 8.261 0.059 18166 8623 1 14 . 1 1 90 90 LYS N N 90 124.436 124.436 120.807 3.629 18166 8624 1 14 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.107 -0.178 18166 8625 1 14 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.922 0.939 18166 8626 1 14 . 1 1 90 90 LYS H H 90 7.379 7.379 8.152 -0.773 18166 8627 1 14 . 1 1 91 91 ALA N N 91 121.179 121.179 121.032 0.147 18166 8628 1 14 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.100 -0.608 18166 8629 1 14 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.451 -0.398 18166 8630 1 14 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.402 -2.957 18166 8631 1 14 . 1 1 91 91 ALA H H 91 8.460 8.460 8.130 0.330 18166 8632 1 14 . 1 1 92 92 ALA N N 92 118.165 118.165 120.480 -2.315 18166 8633 1 14 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.243 -0.119 18166 8634 1 14 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.244 0.623 18166 8635 1 14 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.695 -0.675 18166 8636 1 14 . 1 1 92 92 ALA H H 92 7.871 7.871 7.699 0.172 18166 8637 1 14 . 1 1 93 93 ALA N N 93 123.065 123.065 122.211 0.854 18166 8638 1 14 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.400 -0.410 18166 8639 1 14 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.751 0.586 18166 8640 1 14 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.626 -2.005 18166 8641 1 14 . 1 1 93 93 ALA H H 93 7.649 7.649 7.952 -0.303 18166 8642 1 14 . 1 1 94 94 LEU N N 94 117.762 117.762 119.899 -2.137 18166 8643 1 14 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.915 0.201 18166 8644 1 14 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.441 0.209 18166 8645 1 14 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.527 0.275 18166 8646 1 14 . 1 1 94 94 LEU H H 94 7.847 7.847 8.383 -0.535 18166 8647 1 14 . 1 1 95 95 GLU N N 95 121.139 121.139 119.585 1.554 18166 8648 1 14 . 1 1 95 95 GLU HA H 95 3.355 3.355 3.964 -0.609 18166 8649 1 14 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.572 -0.444 18166 8650 1 14 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.637 -0.244 18166 8651 1 14 . 1 1 95 95 GLU H H 95 8.971 8.971 8.404 0.567 18166 8652 1 14 . 1 1 96 96 ALA N N 96 124.630 124.630 119.225 5.405 18166 8653 1 14 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.145 -0.194 18166 8654 1 14 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.429 1.143 18166 8655 1 14 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.474 -1.115 18166 8656 1 14 . 1 1 96 96 ALA H H 96 7.890 7.890 7.698 0.192 18166 8657 1 14 . 1 1 97 97 MET N N 97 115.484 115.484 116.713 -1.229 18166 8658 1 14 . 1 1 97 97 MET HA H 97 3.714 3.714 4.476 -0.762 18166 8659 1 14 . 1 1 97 97 MET CA C 97 56.071 56.071 53.697 2.374 18166 8660 1 14 . 1 1 97 97 MET CB C 97 33.654 33.654 32.529 1.125 18166 8661 1 14 . 1 1 97 97 MET H H 97 7.155 7.155 7.410 -0.255 18166 8662 1 14 . 1 1 98 98 LYS N N 98 112.882 112.882 115.030 -2.148 18166 8663 1 14 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.152 -0.422 18166 8664 1 14 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.415 -0.663 18166 8665 1 14 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.200 -1.080 18166 8666 1 14 . 1 1 98 98 LYS H H 98 7.597 7.597 7.513 0.084 18166 8667 1 14 . 1 1 99 99 ASP N N 99 120.642 120.642 120.242 0.400 18166 8668 1 14 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.759 0.078 18166 8669 1 14 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.065 -2.303 18166 8670 1 14 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.190 -1.511 18166 8671 1 14 . 1 1 99 99 ASP H H 99 7.888 7.888 8.021 -0.133 18166 8672 1 14 . 1 1 100 100 TYR N N 100 117.948 117.948 118.971 -1.023 18166 8673 1 14 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.077 -0.132 18166 8674 1 14 . 1 1 100 100 TYR CA C 100 61.934 61.934 61.512 0.422 18166 8675 1 14 . 1 1 100 100 TYR CB C 100 37.639 37.639 36.973 0.666 18166 8676 1 14 . 1 1 100 100 TYR H H 100 6.984 6.984 6.920 0.064 18166 8677 1 14 . 1 1 101 101 THR N N 101 113.752 113.752 108.836 4.916 18166 8678 1 14 . 1 1 101 101 THR HA H 101 4.008 4.008 4.107 -0.099 18166 8679 1 14 . 1 1 101 101 THR CA C 101 65.857 65.857 64.998 0.859 18166 8680 1 14 . 1 1 101 101 THR CB C 101 67.689 67.689 68.326 -0.637 18166 8681 1 14 . 1 1 101 101 THR H H 101 8.543 8.543 8.230 0.313 18166 8682 1 14 . 1 1 102 102 LYS N N 102 120.641 120.641 121.409 -0.768 18166 8683 1 14 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.728 -0.586 18166 8684 1 14 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.125 1.961 18166 8685 1 14 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.728 0.451 18166 8686 1 14 . 1 1 102 102 LYS H H 102 7.348 7.348 7.756 -0.408 18166 8687 1 14 . 1 1 103 103 ALA N N 103 120.302 120.302 123.424 -3.122 18166 8688 1 14 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.184 -0.519 18166 8689 1 14 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.329 0.327 18166 8690 1 14 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.414 0.475 18166 8691 1 14 . 1 1 103 103 ALA H H 103 8.344 8.344 8.299 0.045 18166 8692 1 14 . 1 1 104 104 MET N N 104 116.430 116.430 114.925 1.505 18166 8693 1 14 . 1 1 104 104 MET HA H 104 3.939 3.939 4.265 -0.326 18166 8694 1 14 . 1 1 104 104 MET CA C 104 61.020 61.020 59.008 2.012 18166 8695 1 14 . 1 1 104 104 MET CB C 104 33.904 33.904 32.341 1.563 18166 8696 1 14 . 1 1 104 104 MET H H 104 8.375 8.375 8.209 0.166 18166 8697 1 14 . 1 1 105 105 ASP N N 105 117.449 117.449 120.962 -3.513 18166 8698 1 14 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.442 0.068 18166 8699 1 14 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.870 -0.757 18166 8700 1 14 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.505 -0.296 18166 8701 1 14 . 1 1 105 105 ASP H H 105 7.319 7.319 7.946 -0.627 18166 8702 1 14 . 1 1 106 106 VAL N N 106 121.168 121.168 119.701 1.467 18166 8703 1 14 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.705 0.045 18166 8704 1 14 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.220 0.760 18166 8705 1 14 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.389 -0.628 18166 8706 1 14 . 1 1 106 106 VAL H H 106 7.825 7.825 7.606 0.219 18166 8707 1 14 . 1 1 107 107 TYR N N 107 120.714 120.714 121.281 -0.567 18166 8708 1 14 . 1 1 107 107 TYR HA H 107 4.271 4.271 3.969 0.302 18166 8709 1 14 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.764 0.689 18166 8710 1 14 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.925 0.229 18166 8711 1 14 . 1 1 107 107 TYR H H 107 9.215 9.215 8.455 0.760 18166 8712 1 14 . 1 1 108 108 GLN N N 108 117.293 117.293 118.458 -1.165 18166 8713 1 14 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.259 0.574 18166 8714 1 14 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.515 0.187 18166 8715 1 14 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.248 -0.003 18166 8716 1 14 . 1 1 108 108 GLN H H 108 8.605 8.605 7.682 0.923 18166 8717 1 14 . 1 1 109 109 LYS N N 109 120.342 120.342 118.251 2.091 18166 8718 1 14 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.889 0.113 18166 8719 1 14 . 1 1 109 109 LYS CA C 109 58.537 58.537 57.926 0.611 18166 8720 1 14 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.655 -0.633 18166 8721 1 14 . 1 1 109 109 LYS H H 109 7.571 7.571 7.769 -0.198 18166 8722 1 14 . 1 1 110 110 ALA N N 110 119.851 119.851 122.307 -2.456 18166 8723 1 14 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.861 -0.082 18166 8724 1 14 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.774 0.278 18166 8725 1 14 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.342 -0.654 18166 8726 1 14 . 1 1 110 110 ALA H H 110 7.693 7.693 7.604 0.089 18166 8727 1 14 . 1 1 111 111 LEU N N 111 117.859 117.859 117.850 0.009 18166 8728 1 14 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.007 0.070 18166 8729 1 14 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.949 -0.738 18166 8730 1 14 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.670 0.139 18166 8731 1 14 . 1 1 111 111 LEU H H 111 7.811 7.811 7.731 0.080 18166 8732 1 14 . 1 1 112 112 ASP N N 112 118.421 118.421 117.016 1.405 18166 8733 1 14 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.378 -0.127 18166 8734 1 14 . 1 1 112 112 ASP CA C 112 55.762 55.762 55.853 -0.091 18166 8735 1 14 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.255 -2.060 18166 8736 1 14 . 1 1 112 112 ASP H H 112 8.099 8.099 7.656 0.443 18166 8737 1 14 . 1 1 113 113 LEU N N 113 120.299 120.299 119.116 1.183 18166 8738 1 14 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.178 -0.021 18166 8739 1 14 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.305 0.229 18166 8740 1 14 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.676 -0.197 18166 8741 1 14 . 1 1 113 113 LEU H H 113 7.319 7.319 7.181 0.138 18166 8742 1 14 . 1 1 114 114 ASP N N 114 118.196 118.196 114.966 3.230 18166 8743 1 14 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.747 -0.109 18166 8744 1 14 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.840 -0.652 18166 8745 1 14 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.240 -1.973 18166 8746 1 14 . 1 1 114 114 ASP H H 114 8.190 8.190 7.780 0.410 18166 8747 1 14 . 1 1 115 115 SER N N 115 121.421 121.421 119.860 1.561 18166 8748 1 14 . 1 1 115 115 SER HA H 115 4.272 4.272 4.127 0.145 18166 8749 1 14 . 1 1 115 115 SER CA C 115 60.133 60.133 61.122 -0.989 18166 8750 1 14 . 1 1 115 115 SER CB C 115 62.791 62.791 63.426 -0.635 18166 8751 1 14 . 1 1 115 115 SER H H 115 8.775 8.775 8.688 0.087 18166 8752 1 14 . 1 1 116 116 SER N N 116 116.860 116.860 117.318 -0.458 18166 8753 1 14 . 1 1 116 116 SER HA H 116 4.481 4.481 4.266 0.215 18166 8754 1 14 . 1 1 116 116 SER CA C 116 57.961 57.961 60.874 -2.913 18166 8755 1 14 . 1 1 116 116 SER CB C 116 63.960 63.960 62.895 1.065 18166 8756 1 14 . 1 1 116 116 SER H H 116 8.404 8.404 8.165 0.239 18166 8757 1 14 . 1 1 117 117 CYS N N 117 121.814 121.814 117.124 4.690 18166 8758 1 14 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.510 -0.199 18166 8759 1 14 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.245 0.727 18166 8760 1 14 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.985 -1.119 18166 8761 1 14 . 1 1 117 117 CYS H H 117 7.401 7.401 7.889 -0.488 18166 8762 1 14 . 1 1 118 118 LYS N N 118 105.939 105.939 121.850 -15.911 18166 8763 1 14 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.929 0.043 18166 8764 1 14 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.025 -0.158 18166 8765 1 14 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.367 0.988 18166 8766 1 14 . 1 1 118 118 LYS H H 118 8.647 8.647 8.224 0.423 18166 8767 1 14 . 1 1 119 119 GLU N N 119 117.724 117.724 118.323 -0.599 18166 8768 1 14 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.101 0.030 18166 8769 1 14 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.919 0.082 18166 8770 1 14 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.852 0.620 18166 8771 1 14 . 1 1 119 119 GLU H H 119 8.998 8.998 8.380 0.618 18166 8772 1 14 . 1 1 120 120 ALA N N 120 120.855 120.855 121.904 -1.049 18166 8773 1 14 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.182 0.186 18166 8774 1 14 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.774 -1.468 18166 8775 1 14 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.535 -0.422 18166 8776 1 14 . 1 1 120 120 ALA H H 120 7.494 7.494 8.346 -0.852 18166 8777 1 14 . 1 1 121 121 ALA N N 121 123.265 123.265 121.189 2.076 18166 8778 1 14 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.257 -0.262 18166 8779 1 14 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.895 -0.103 18166 8780 1 14 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.501 -0.697 18166 8781 1 14 . 1 1 121 121 ALA H H 121 7.914 7.914 7.474 0.440 18166 8782 1 14 . 1 1 122 122 ASP N N 122 118.732 118.732 118.339 0.393 18166 8783 1 14 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.403 -0.132 18166 8784 1 14 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.291 -1.049 18166 8785 1 14 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.918 -1.803 18166 8786 1 14 . 1 1 122 122 ASP H H 122 8.964 8.964 8.069 0.895 18166 8787 1 14 . 1 1 123 123 GLY N N 123 108.568 108.568 106.780 1.788 18166 8788 1 14 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.412 0.202 18166 8789 1 14 . 1 1 123 123 GLY H H 123 7.572 7.572 7.784 -0.212 18166 8790 1 14 . 1 1 124 124 TYR N N 124 122.944 122.944 123.704 -0.760 18166 8791 1 14 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.854 -0.240 18166 8792 1 14 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.531 2.654 18166 8793 1 14 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.684 0.213 18166 8794 1 14 . 1 1 124 124 TYR H H 124 8.162 8.162 7.930 0.232 18166 8795 1 14 . 1 1 125 125 GLN N N 125 115.988 115.988 116.416 -0.428 18166 8796 1 14 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.590 0.285 18166 8797 1 14 . 1 1 125 125 GLN CA C 125 58.620 58.620 59.136 -0.516 18166 8798 1 14 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.909 0.228 18166 8799 1 14 . 1 1 125 125 GLN H H 125 7.510 7.510 7.935 -0.425 18166 8800 1 14 . 1 1 126 126 ARG N N 126 118.626 118.626 117.420 1.206 18166 8801 1 14 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.191 -0.258 18166 8802 1 14 . 1 1 126 126 ARG CA C 126 59.817 59.817 57.764 2.053 18166 8803 1 14 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.261 1.831 18166 8804 1 14 . 1 1 126 126 ARG H H 126 8.139 8.139 7.966 0.173 18166 8805 1 14 . 1 1 127 127 CYS N N 127 116.985 116.985 117.929 -0.944 18166 8806 1 14 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.549 -0.660 18166 8807 1 14 . 1 1 127 127 CYS CA C 127 63.963 63.963 60.096 3.867 18166 8808 1 14 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.248 -0.482 18166 8809 1 14 . 1 1 127 127 CYS H H 127 8.097 8.097 7.651 0.446 18166 8810 1 14 . 1 1 128 128 MET N N 128 120.493 120.493 118.631 1.862 18166 8811 1 14 . 1 1 128 128 MET HA H 128 3.989 3.989 3.943 0.046 18166 8812 1 14 . 1 1 128 128 MET CA C 128 58.420 58.420 58.517 -0.097 18166 8813 1 14 . 1 1 128 128 MET CB C 128 31.539 31.539 31.820 -0.281 18166 8814 1 14 . 1 1 128 128 MET H H 128 8.163 8.163 7.989 0.174 18166 8815 1 14 . 1 1 129 129 MET N N 129 115.583 115.583 116.759 -1.176 18166 8816 1 14 . 1 1 129 129 MET HA H 129 4.211 4.211 4.252 -0.041 18166 8817 1 14 . 1 1 129 129 MET CA C 129 56.677 56.677 57.768 -1.091 18166 8818 1 14 . 1 1 129 129 MET CB C 129 31.951 31.951 31.790 0.161 18166 8819 1 14 . 1 1 129 129 MET H H 129 7.723 7.723 7.554 0.169 18166 8820 1 14 . 1 1 130 130 ALA N N 130 121.061 121.061 121.707 -0.646 18166 8821 1 14 . 1 1 130 130 ALA HA H 130 3.908 3.908 4.046 -0.138 18166 8822 1 14 . 1 1 130 130 ALA CA C 130 53.080 53.080 53.836 -0.756 18166 8823 1 14 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.946 -1.442 18166 8824 1 14 . 1 1 130 130 ALA H H 130 7.458 7.458 7.324 0.134 18166 8825 1 14 . 1 1 131 131 GLN N N 131 114.560 114.560 114.513 0.047 18166 8826 1 14 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.183 -0.177 18166 8827 1 14 . 1 1 131 131 GLN CA C 131 56.803 56.803 56.995 -0.192 18166 8828 1 14 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.280 -0.175 18166 8829 1 14 . 1 1 131 131 GLN H H 131 7.214 7.214 7.101 0.113 18166 8830 1 14 . 1 1 132 132 TYR N N 132 117.856 117.856 119.842 -1.986 18166 8831 1 14 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.656 -0.014 18166 8832 1 14 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.915 1.643 18166 8833 1 14 . 1 1 132 132 TYR CB C 132 38.312 38.312 37.279 1.033 18166 8834 1 14 . 1 1 132 132 TYR H H 132 7.545 7.545 7.420 0.125 18166 8835 1 15 . 1 1 2 2 GLY N N 2 109.986 109.986 110.074 -0.088 18166 8836 1 15 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.691 0.119 18166 8837 1 15 . 1 1 2 2 GLY H H 2 8.520 8.520 8.100 0.420 18166 8838 1 15 . 1 1 3 3 HIS N N 3 117.442 117.442 118.864 -1.422 18166 8839 1 15 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.588 0.032 18166 8840 1 15 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.285 -1.857 18166 8841 1 15 . 1 1 3 3 HIS H H 3 8.406 8.406 8.013 0.393 18166 8842 1 15 . 1 1 4 4 HIS N N 4 118.932 118.932 127.582 -8.650 18166 8843 1 15 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.498 0.130 18166 8844 1 15 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.389 -1.482 18166 8845 1 15 . 1 1 4 4 HIS CB C 4 28.198 28.198 28.929 -0.731 18166 8846 1 15 . 1 1 4 4 HIS H H 4 8.552 8.552 9.083 -0.531 18166 8847 1 15 . 1 1 5 5 HIS N N 5 119.580 119.580 123.566 -3.986 18166 8848 1 15 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.861 -0.213 18166 8849 1 15 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.857 -0.724 18166 8850 1 15 . 1 1 5 5 HIS CB C 5 28.761 28.761 31.296 -2.535 18166 8851 1 15 . 1 1 5 5 HIS H H 5 8.615 8.615 7.846 0.769 18166 8852 1 15 . 1 1 6 6 HIS N N 6 121.369 121.369 120.926 0.443 18166 8853 1 15 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.400 0.248 18166 8854 1 15 . 1 1 6 6 HIS CA C 6 54.949 54.949 56.293 -1.344 18166 8855 1 15 . 1 1 6 6 HIS CB C 6 29.100 29.100 28.195 0.905 18166 8856 1 15 . 1 1 6 6 HIS H H 6 8.732 8.732 8.340 0.392 18166 8857 1 15 . 1 1 7 7 HIS N N 7 120.276 120.276 124.141 -3.865 18166 8858 1 15 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.513 0.129 18166 8859 1 15 . 1 1 7 7 HIS CA C 7 55.147 55.147 57.357 -2.210 18166 8860 1 15 . 1 1 7 7 HIS CB C 7 28.825 28.825 31.240 -2.415 18166 8861 1 15 . 1 1 7 7 HIS H H 7 8.708 8.708 8.359 0.349 18166 8862 1 15 . 1 1 8 8 HIS N N 8 120.007 120.007 115.778 4.229 18166 8863 1 15 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.661 0.035 18166 8864 1 15 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.256 -0.395 18166 8865 1 15 . 1 1 8 8 HIS CB C 8 28.696 28.696 31.666 -2.970 18166 8866 1 15 . 1 1 8 8 HIS H H 8 8.708 8.708 7.804 0.904 18166 8867 1 15 . 1 1 9 9 SER N N 9 117.977 117.977 114.856 3.121 18166 8868 1 15 . 1 1 9 9 SER HA H 9 4.404 4.404 4.316 0.088 18166 8869 1 15 . 1 1 9 9 SER CA C 9 57.718 57.718 57.571 0.147 18166 8870 1 15 . 1 1 9 9 SER CB C 9 63.246 63.246 64.624 -1.378 18166 8871 1 15 . 1 1 9 9 SER H H 9 8.535 8.535 8.352 0.183 18166 8872 1 15 . 1 1 10 10 HIS N N 10 120.441 120.441 119.789 0.652 18166 8873 1 15 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.617 0.078 18166 8874 1 15 . 1 1 10 10 HIS H H 10 8.744 8.744 8.377 0.367 18166 8875 1 15 . 1 1 11 11 MET N N 11 122.004 122.004 118.894 3.110 18166 8876 1 15 . 1 1 11 11 MET HA H 11 4.427 4.427 4.260 0.167 18166 8877 1 15 . 1 1 11 11 MET CA C 11 54.665 54.665 57.801 -3.136 18166 8878 1 15 . 1 1 11 11 MET CB C 11 32.913 32.913 32.764 0.149 18166 8879 1 15 . 1 1 11 11 MET H H 11 8.443 8.443 8.577 -0.134 18166 8880 1 15 . 1 1 12 12 ASN N N 12 121.852 121.852 115.913 5.939 18166 8881 1 15 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.026 -0.088 18166 8882 1 15 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.421 -0.041 18166 8883 1 15 . 1 1 12 12 ASN CB C 12 38.313 38.313 40.085 -1.772 18166 8884 1 15 . 1 1 12 12 ASN H H 12 8.631 8.631 7.847 0.784 18166 8885 1 15 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.478 -0.118 18166 8886 1 15 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.467 -1.318 18166 8887 1 15 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.293 -0.541 18166 8888 1 15 . 1 1 14 14 ASP N N 14 119.643 119.643 116.165 3.478 18166 8889 1 15 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.684 -0.141 18166 8890 1 15 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.462 0.566 18166 8891 1 15 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.518 -1.756 18166 8892 1 15 . 1 1 14 14 ASP H H 14 8.344 8.344 7.725 0.619 18166 8893 1 15 . 1 1 15 15 LEU N N 15 123.333 123.333 125.881 -2.548 18166 8894 1 15 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.079 0.070 18166 8895 1 15 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.601 -1.158 18166 8896 1 15 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.834 -0.458 18166 8897 1 15 . 1 1 15 15 LEU H H 15 8.119 8.119 8.777 -0.658 18166 8898 1 15 . 1 1 16 16 ALA N N 16 121.879 121.879 120.559 1.320 18166 8899 1 15 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.070 0.044 18166 8900 1 15 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.297 -0.927 18166 8901 1 15 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.688 -0.640 18166 8902 1 15 . 1 1 16 16 ALA H H 16 8.212 8.212 8.008 0.204 18166 8903 1 15 . 1 1 17 17 LEU N N 17 118.990 118.990 115.511 3.479 18166 8904 1 15 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.367 -0.228 18166 8905 1 15 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.108 -0.999 18166 8906 1 15 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.895 -0.519 18166 8907 1 15 . 1 1 17 17 LEU H H 17 7.719 7.719 7.575 0.144 18166 8908 1 15 . 1 1 18 18 MET N N 18 118.534 118.534 117.894 0.640 18166 8909 1 15 . 1 1 18 18 MET HA H 18 4.274 4.274 4.310 -0.036 18166 8910 1 15 . 1 1 18 18 MET CA C 18 56.497 56.497 56.897 -0.400 18166 8911 1 15 . 1 1 18 18 MET CB C 18 31.787 31.787 31.441 0.346 18166 8912 1 15 . 1 1 18 18 MET H H 18 7.996 7.996 7.702 0.294 18166 8913 1 15 . 1 1 19 19 VAL N N 19 119.243 119.243 119.278 -0.035 18166 8914 1 15 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.777 0.056 18166 8915 1 15 . 1 1 19 19 VAL CA C 19 63.734 63.734 64.813 -1.079 18166 8916 1 15 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.690 -0.034 18166 8917 1 15 . 1 1 19 19 VAL H H 19 7.915 7.915 7.627 0.288 18166 8918 1 15 . 1 1 20 20 LYS N N 20 123.321 123.321 118.457 4.864 18166 8919 1 15 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.174 -0.197 18166 8920 1 15 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.246 -0.903 18166 8921 1 15 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.707 0.289 18166 8922 1 15 . 1 1 20 20 LYS H H 20 8.139 8.139 7.658 0.481 18166 8923 1 15 . 1 1 21 21 ASN N N 21 118.732 118.732 119.311 -0.579 18166 8924 1 15 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.493 0.085 18166 8925 1 15 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.089 -1.849 18166 8926 1 15 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.197 -0.458 18166 8927 1 15 . 1 1 21 21 ASN H H 21 8.349 8.349 7.800 0.549 18166 8928 1 15 . 1 1 22 22 LYS N N 22 121.941 121.941 119.255 2.686 18166 8929 1 15 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.617 -0.593 18166 8930 1 15 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.653 -0.343 18166 8931 1 15 . 1 1 22 22 LYS CB C 22 31.519 31.519 32.073 -0.554 18166 8932 1 15 . 1 1 22 22 LYS H H 22 8.185 8.185 7.269 0.916 18166 8933 1 15 . 1 1 23 23 GLY N N 23 107.792 107.792 108.657 -0.865 18166 8934 1 15 . 1 1 23 23 GLY CA C 23 47.766 47.766 47.181 0.585 18166 8935 1 15 . 1 1 23 23 GLY H H 23 8.336 8.336 8.204 0.132 18166 8936 1 15 . 1 1 24 24 ASN N N 24 120.049 120.049 118.596 1.453 18166 8937 1 15 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.375 0.209 18166 8938 1 15 . 1 1 24 24 ASN CA C 24 55.201 55.201 54.806 0.395 18166 8939 1 15 . 1 1 24 24 ASN CB C 24 37.570 37.570 39.050 -1.480 18166 8940 1 15 . 1 1 24 24 ASN H H 24 8.337 8.337 8.058 0.279 18166 8941 1 15 . 1 1 25 25 GLU N N 25 121.510 121.510 120.686 0.824 18166 8942 1 15 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.104 -0.057 18166 8943 1 15 . 1 1 25 25 GLU CA C 25 58.976 58.976 58.815 0.161 18166 8944 1 15 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.480 -0.376 18166 8945 1 15 . 1 1 25 25 GLU H H 25 8.366 8.366 7.537 0.829 18166 8946 1 15 . 1 1 26 26 CYS N N 26 116.512 116.512 118.447 -1.935 18166 8947 1 15 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.008 0.094 18166 8948 1 15 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.322 -0.317 18166 8949 1 15 . 1 1 26 26 CYS CB C 26 26.256 26.256 25.785 0.471 18166 8950 1 15 . 1 1 26 26 CYS H H 26 8.092 8.092 7.975 0.117 18166 8951 1 15 . 1 1 27 27 PHE N N 27 122.066 122.066 119.891 2.175 18166 8952 1 15 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.016 -0.264 18166 8953 1 15 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.594 -0.114 18166 8954 1 15 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.730 1.172 18166 8955 1 15 . 1 1 27 27 PHE H H 27 8.756 8.756 7.853 0.903 18166 8956 1 15 . 1 1 28 28 GLN N N 28 119.430 119.430 118.707 0.723 18166 8957 1 15 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.073 -0.057 18166 8958 1 15 . 1 1 28 28 GLN CA C 28 58.125 58.125 58.034 0.091 18166 8959 1 15 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.149 0.061 18166 8960 1 15 . 1 1 28 28 GLN H H 28 8.574 8.574 8.114 0.461 18166 8961 1 15 . 1 1 29 29 LYS N N 29 116.011 116.011 117.015 -1.004 18166 8962 1 15 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.238 0.006 18166 8963 1 15 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.829 0.269 18166 8964 1 15 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.364 0.173 18166 8965 1 15 . 1 1 29 29 LYS H H 29 7.410 7.410 7.389 0.021 18166 8966 1 15 . 1 1 30 30 GLY N N 30 107.636 107.636 107.520 0.116 18166 8967 1 15 . 1 1 30 30 GLY CA C 30 44.583 44.583 45.059 -0.476 18166 8968 1 15 . 1 1 30 30 GLY H H 30 7.566 7.566 7.783 -0.217 18166 8969 1 15 . 1 1 31 31 ASP N N 31 120.587 120.587 122.902 -2.315 18166 8970 1 15 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.899 -0.231 18166 8971 1 15 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.020 -1.980 18166 8972 1 15 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.493 -0.775 18166 8973 1 15 . 1 1 31 31 ASP H H 31 7.826 7.826 7.821 0.005 18166 8974 1 15 . 1 1 32 32 TYR N N 32 120.190 120.190 124.169 -3.979 18166 8975 1 15 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.256 -0.484 18166 8976 1 15 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.804 0.450 18166 8977 1 15 . 1 1 32 32 TYR H H 32 7.313 7.313 8.089 -0.776 18166 8978 1 15 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.195 0.025 18166 8979 1 15 . 1 1 33 33 PRO CA C 33 66.355 66.355 66.067 0.288 18166 8980 1 15 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.430 -0.143 18166 8981 1 15 . 1 1 34 34 GLN N N 34 115.797 115.797 117.849 -2.052 18166 8982 1 15 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.905 0.020 18166 8983 1 15 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.652 -0.488 18166 8984 1 15 . 1 1 34 34 GLN CB C 34 28.378 28.378 26.860 1.518 18166 8985 1 15 . 1 1 34 34 GLN H H 34 7.278 7.278 8.370 -1.092 18166 8986 1 15 . 1 1 35 35 ALA N N 35 121.852 121.852 122.973 -1.121 18166 8987 1 15 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.806 0.266 18166 8988 1 15 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.878 0.719 18166 8989 1 15 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.235 0.310 18166 8990 1 15 . 1 1 35 35 ALA H H 35 8.376 8.376 8.020 0.356 18166 8991 1 15 . 1 1 36 36 MET N N 36 116.867 116.867 117.981 -1.114 18166 8992 1 15 . 1 1 36 36 MET HA H 36 3.887 3.887 4.310 -0.423 18166 8993 1 15 . 1 1 36 36 MET CA C 36 59.400 59.400 57.692 1.708 18166 8994 1 15 . 1 1 36 36 MET CB C 36 30.626 30.626 31.881 -1.255 18166 8995 1 15 . 1 1 36 36 MET H H 36 8.538 8.538 7.714 0.824 18166 8996 1 15 . 1 1 37 37 LYS N N 37 122.037 122.037 119.466 2.571 18166 8997 1 15 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.079 -0.167 18166 8998 1 15 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.771 -0.546 18166 8999 1 15 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.252 -0.056 18166 9000 1 15 . 1 1 37 37 LYS H H 37 7.599 7.599 7.965 -0.366 18166 9001 1 15 . 1 1 38 38 HIS N N 38 117.718 117.718 117.905 -0.187 18166 9002 1 15 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.677 -0.042 18166 9003 1 15 . 1 1 38 38 HIS CA C 38 58.000 58.000 57.644 0.356 18166 9004 1 15 . 1 1 38 38 HIS CB C 38 28.000 28.000 30.071 -2.071 18166 9005 1 15 . 1 1 38 38 HIS H H 38 7.908 7.908 8.077 -0.169 18166 9006 1 15 . 1 1 39 39 TYR N N 39 118.987 118.987 119.572 -0.585 18166 9007 1 15 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.331 0.134 18166 9008 1 15 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.005 0.248 18166 9009 1 15 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.862 -1.071 18166 9010 1 15 . 1 1 39 39 TYR H H 39 9.156 9.156 8.133 1.023 18166 9011 1 15 . 1 1 40 40 THR N N 40 117.147 117.147 116.063 1.084 18166 9012 1 15 . 1 1 40 40 THR HA H 40 3.872 3.872 3.932 -0.060 18166 9013 1 15 . 1 1 40 40 THR CA C 40 67.449 67.449 66.845 0.604 18166 9014 1 15 . 1 1 40 40 THR CB C 40 68.728 68.728 68.584 0.144 18166 9015 1 15 . 1 1 40 40 THR H H 40 8.476 8.476 7.987 0.489 18166 9016 1 15 . 1 1 41 41 GLU N N 41 122.067 122.067 120.285 1.782 18166 9017 1 15 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.079 -0.100 18166 9018 1 15 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.122 -0.377 18166 9019 1 15 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.876 -0.153 18166 9020 1 15 . 1 1 41 41 GLU H H 41 7.762 7.762 8.235 -0.473 18166 9021 1 15 . 1 1 42 42 ALA N N 42 122.040 122.040 122.300 -0.260 18166 9022 1 15 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.102 -0.133 18166 9023 1 15 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.570 0.599 18166 9024 1 15 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.433 -0.063 18166 9025 1 15 . 1 1 42 42 ALA H H 42 8.191 8.191 7.290 0.901 18166 9026 1 15 . 1 1 43 43 ILE N N 43 122.662 122.662 118.822 3.840 18166 9027 1 15 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.654 -0.338 18166 9028 1 15 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.688 0.910 18166 9029 1 15 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.596 0.891 18166 9030 1 15 . 1 1 43 43 ILE H H 43 8.427 8.427 7.849 0.578 18166 9031 1 15 . 1 1 44 44 LYS N N 44 117.349 117.349 117.802 -0.453 18166 9032 1 15 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.090 -0.149 18166 9033 1 15 . 1 1 44 44 LYS CA C 44 58.701 58.701 58.321 0.380 18166 9034 1 15 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.856 0.135 18166 9035 1 15 . 1 1 44 44 LYS H H 44 7.473 7.473 7.333 0.140 18166 9036 1 15 . 1 1 45 45 ARG N N 45 114.723 114.723 117.089 -2.366 18166 9037 1 15 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.275 -0.102 18166 9038 1 15 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.340 0.066 18166 9039 1 15 . 1 1 45 45 ARG CB C 45 30.337 30.337 30.965 -0.628 18166 9040 1 15 . 1 1 45 45 ARG H H 45 7.150 7.150 7.560 -0.410 18166 9041 1 15 . 1 1 46 46 ASN N N 46 115.919 115.919 116.812 -0.893 18166 9042 1 15 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.099 -0.026 18166 9043 1 15 . 1 1 46 46 ASN CA C 46 51.157 51.157 50.784 0.373 18166 9044 1 15 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.254 -0.623 18166 9045 1 15 . 1 1 46 46 ASN H H 46 7.885 7.885 8.227 -0.342 18166 9046 1 15 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.671 0.061 18166 9047 1 15 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.598 -0.393 18166 9048 1 15 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.264 -0.310 18166 9049 1 15 . 1 1 48 48 LYS N N 48 118.494 118.494 118.165 0.329 18166 9050 1 15 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.255 0.380 18166 9051 1 15 . 1 1 48 48 LYS CA C 48 55.000 55.000 57.581 -2.581 18166 9052 1 15 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.070 -0.643 18166 9053 1 15 . 1 1 48 48 LYS H H 48 8.154 8.154 8.215 -0.061 18166 9054 1 15 . 1 1 49 49 ASP N N 49 119.387 119.387 120.035 -0.648 18166 9055 1 15 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.679 0.011 18166 9056 1 15 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.436 -0.558 18166 9057 1 15 . 1 1 49 49 ASP CB C 49 40.026 40.026 41.544 -1.518 18166 9058 1 15 . 1 1 49 49 ASP H H 49 7.317 7.317 7.485 -0.168 18166 9059 1 15 . 1 1 50 50 ALA N N 50 128.206 128.206 129.140 -0.934 18166 9060 1 15 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.217 -0.176 18166 9061 1 15 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.112 0.452 18166 9062 1 15 . 1 1 50 50 ALA CB C 50 20.090 20.090 19.046 1.044 18166 9063 1 15 . 1 1 50 50 ALA H H 50 8.466 8.466 8.248 0.218 18166 9064 1 15 . 1 1 51 51 LYS N N 51 113.628 113.628 117.162 -3.534 18166 9065 1 15 . 1 1 51 51 LYS HA H 51 3.877 3.877 3.977 -0.100 18166 9066 1 15 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.221 1.093 18166 9067 1 15 . 1 1 51 51 LYS CB C 51 31.320 31.320 30.968 0.351 18166 9068 1 15 . 1 1 51 51 LYS H H 51 7.985 7.985 8.096 -0.111 18166 9069 1 15 . 1 1 52 52 LEU N N 52 117.207 117.207 120.200 -2.993 18166 9070 1 15 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.815 -0.143 18166 9071 1 15 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.503 -0.225 18166 9072 1 15 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.766 1.326 18166 9073 1 15 . 1 1 52 52 LEU H H 52 7.323 7.323 7.551 -0.228 18166 9074 1 15 . 1 1 53 53 TYR N N 53 116.167 116.167 117.132 -0.965 18166 9075 1 15 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.119 -0.241 18166 9076 1 15 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.354 0.219 18166 9077 1 15 . 1 1 53 53 TYR CB C 53 38.147 38.147 38.053 0.094 18166 9078 1 15 . 1 1 53 53 TYR H H 53 6.955 6.955 7.704 -0.749 18166 9079 1 15 . 1 1 54 54 SER N N 54 112.799 112.799 113.752 -0.953 18166 9080 1 15 . 1 1 54 54 SER HA H 54 3.976 3.976 3.964 0.012 18166 9081 1 15 . 1 1 54 54 SER CA C 54 61.200 61.200 60.622 0.578 18166 9082 1 15 . 1 1 54 54 SER CB C 54 62.184 62.184 61.968 0.216 18166 9083 1 15 . 1 1 54 54 SER H H 54 7.661 7.661 7.745 -0.084 18166 9084 1 15 . 1 1 55 55 ASN N N 55 119.126 119.126 121.058 -1.932 18166 9085 1 15 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.191 -0.092 18166 9086 1 15 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.372 -0.131 18166 9087 1 15 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.441 -1.164 18166 9088 1 15 . 1 1 55 55 ASN H H 55 7.729 7.729 8.029 -0.300 18166 9089 1 15 . 1 1 56 56 ARG N N 56 122.589 122.589 119.569 3.020 18166 9090 1 15 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.710 0.423 18166 9091 1 15 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.904 2.656 18166 9092 1 15 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.705 -0.636 18166 9093 1 15 . 1 1 56 56 ARG H H 56 8.329 8.329 7.139 1.190 18166 9094 1 15 . 1 1 57 57 ALA N N 57 122.569 122.569 121.372 1.197 18166 9095 1 15 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.156 0.104 18166 9096 1 15 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.937 1.138 18166 9097 1 15 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.224 1.665 18166 9098 1 15 . 1 1 57 57 ALA H H 57 8.857 8.857 7.750 1.107 18166 9099 1 15 . 1 1 58 58 ALA N N 58 120.015 120.015 120.252 -0.237 18166 9100 1 15 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.003 0.080 18166 9101 1 15 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.476 0.574 18166 9102 1 15 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.020 -0.196 18166 9103 1 15 . 1 1 58 58 ALA H H 58 7.574 7.574 7.586 -0.012 18166 9104 1 15 . 1 1 59 59 CYS N N 59 117.074 117.074 116.867 0.207 18166 9105 1 15 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.259 -0.197 18166 9106 1 15 . 1 1 59 59 CYS CA C 59 63.245 63.245 63.077 0.168 18166 9107 1 15 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.698 0.129 18166 9108 1 15 . 1 1 59 59 CYS H H 59 7.523 7.523 7.292 0.231 18166 9109 1 15 . 1 1 60 60 TYR N N 60 118.554 118.554 119.883 -1.329 18166 9110 1 15 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.230 0.057 18166 9111 1 15 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.611 1.293 18166 9112 1 15 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.249 1.028 18166 9113 1 15 . 1 1 60 60 TYR H H 60 8.684 8.684 8.282 0.402 18166 9114 1 15 . 1 1 61 61 THR N N 61 116.951 116.951 111.734 5.217 18166 9115 1 15 . 1 1 61 61 THR HA H 61 4.264 4.264 2.755 1.509 18166 9116 1 15 . 1 1 61 61 THR CA C 61 67.645 67.645 65.558 2.086 18166 9117 1 15 . 1 1 61 61 THR CB C 61 67.784 67.784 68.007 -0.223 18166 9118 1 15 . 1 1 61 61 THR H H 61 8.572 8.572 7.829 0.743 18166 9119 1 15 . 1 1 62 62 LYS N N 62 122.578 122.578 121.596 0.982 18166 9120 1 15 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.263 -0.339 18166 9121 1 15 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.185 -0.979 18166 9122 1 15 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.207 -1.413 18166 9123 1 15 . 1 1 62 62 LYS H H 62 7.410 7.410 7.719 -0.309 18166 9124 1 15 . 1 1 63 63 LEU N N 63 117.404 117.404 118.087 -0.683 18166 9125 1 15 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.346 -0.130 18166 9126 1 15 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.030 -0.985 18166 9127 1 15 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.361 -0.718 18166 9128 1 15 . 1 1 63 63 LEU H H 63 7.397 7.397 7.733 -0.336 18166 9129 1 15 . 1 1 64 64 LEU N N 64 113.668 113.668 114.818 -1.150 18166 9130 1 15 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.258 -1.288 18166 9131 1 15 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.346 -1.528 18166 9132 1 15 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.037 -1.786 18166 9133 1 15 . 1 1 64 64 LEU H H 64 7.457 7.457 7.680 -0.223 18166 9134 1 15 . 1 1 65 65 GLU N N 65 120.636 120.636 120.010 0.626 18166 9135 1 15 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.483 -0.080 18166 9136 1 15 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.976 -1.746 18166 9137 1 15 . 1 1 65 65 GLU CB C 65 27.090 27.090 28.138 -1.048 18166 9138 1 15 . 1 1 65 65 GLU H H 65 8.085 8.085 8.250 -0.165 18166 9139 1 15 . 1 1 66 66 PHE N N 66 118.292 118.292 119.911 -1.619 18166 9140 1 15 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.115 -0.089 18166 9141 1 15 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.049 -1.060 18166 9142 1 15 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.693 -0.410 18166 9143 1 15 . 1 1 66 66 PHE H H 66 6.812 6.812 7.765 -0.953 18166 9144 1 15 . 1 1 67 67 GLN N N 67 117.166 117.166 117.930 -0.764 18166 9145 1 15 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.026 -0.043 18166 9146 1 15 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.823 -0.145 18166 9147 1 15 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.842 -0.998 18166 9148 1 15 . 1 1 67 67 GLN H H 67 8.589 8.589 8.596 -0.007 18166 9149 1 15 . 1 1 68 68 LEU N N 68 119.871 119.871 119.228 0.643 18166 9150 1 15 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.892 -0.126 18166 9151 1 15 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.779 0.696 18166 9152 1 15 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.552 -2.532 18166 9153 1 15 . 1 1 68 68 LEU H H 68 7.422 7.422 7.888 -0.466 18166 9154 1 15 . 1 1 69 69 ALA N N 69 121.380 121.380 122.215 -0.835 18166 9155 1 15 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.241 -0.108 18166 9156 1 15 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.060 0.768 18166 9157 1 15 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.394 0.113 18166 9158 1 15 . 1 1 69 69 ALA H H 69 7.871 7.871 7.597 0.274 18166 9159 1 15 . 1 1 70 70 LEU N N 70 118.569 118.569 119.048 -0.479 18166 9160 1 15 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.967 -0.153 18166 9161 1 15 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.966 0.613 18166 9162 1 15 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.866 -0.940 18166 9163 1 15 . 1 1 70 70 LEU H H 70 8.519 8.519 8.246 0.273 18166 9164 1 15 . 1 1 71 71 LYS N N 71 119.700 119.700 117.939 1.761 18166 9165 1 15 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.971 0.006 18166 9166 1 15 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.296 -0.101 18166 9167 1 15 . 1 1 71 71 LYS H H 71 7.619 7.619 7.494 0.125 18166 9168 1 15 . 1 1 72 72 ASP N N 72 121.506 121.506 120.430 1.076 18166 9169 1 15 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.689 -0.075 18166 9170 1 15 . 1 1 72 72 ASP CA C 72 57.293 57.293 56.902 0.391 18166 9171 1 15 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.971 -0.989 18166 9172 1 15 . 1 1 72 72 ASP H H 72 7.460 7.460 8.458 -0.998 18166 9173 1 15 . 1 1 73 73 CYS N N 73 118.302 118.302 117.792 0.510 18166 9174 1 15 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.189 -0.355 18166 9175 1 15 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.049 3.638 18166 9176 1 15 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.042 -0.496 18166 9177 1 15 . 1 1 73 73 CYS H H 73 8.366 8.366 7.647 0.719 18166 9178 1 15 . 1 1 74 74 GLU N N 74 117.660 117.660 120.249 -2.589 18166 9179 1 15 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.209 -0.308 18166 9180 1 15 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.924 -0.711 18166 9181 1 15 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.552 -1.536 18166 9182 1 15 . 1 1 74 74 GLU H H 74 8.244 8.244 8.128 0.116 18166 9183 1 15 . 1 1 75 75 GLU N N 75 119.807 119.807 117.743 2.064 18166 9184 1 15 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.273 -0.380 18166 9185 1 15 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.940 0.209 18166 9186 1 15 . 1 1 75 75 GLU CB C 75 26.674 26.674 30.000 -3.326 18166 9187 1 15 . 1 1 75 75 GLU H H 75 7.394 7.394 8.199 -0.805 18166 9188 1 15 . 1 1 76 76 CYS N N 76 118.342 118.342 119.789 -1.447 18166 9189 1 15 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.981 -0.140 18166 9190 1 15 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.356 2.947 18166 9191 1 15 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.335 0.036 18166 9192 1 15 . 1 1 76 76 CYS H H 76 7.852 7.852 8.068 -0.216 18166 9193 1 15 . 1 1 77 77 ILE N N 77 117.728 117.728 121.035 -3.307 18166 9194 1 15 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.196 -0.716 18166 9195 1 15 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.707 0.502 18166 9196 1 15 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.626 0.923 18166 9197 1 15 . 1 1 77 77 ILE H H 77 7.897 7.897 7.732 0.165 18166 9198 1 15 . 1 1 78 78 GLN N N 78 117.037 117.037 118.136 -1.099 18166 9199 1 15 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.109 -0.204 18166 9200 1 15 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.861 0.353 18166 9201 1 15 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.959 -0.609 18166 9202 1 15 . 1 1 78 78 GLN H H 78 7.655 7.655 7.834 -0.179 18166 9203 1 15 . 1 1 79 79 LEU N N 79 118.180 118.180 116.981 1.199 18166 9204 1 15 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.346 -0.251 18166 9205 1 15 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.439 1.076 18166 9206 1 15 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.309 0.736 18166 9207 1 15 . 1 1 79 79 LEU H H 79 8.021 8.021 7.361 0.660 18166 9208 1 15 . 1 1 80 80 GLU N N 80 117.250 117.250 118.336 -1.086 18166 9209 1 15 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.640 0.196 18166 9210 1 15 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.450 0.092 18166 9211 1 15 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.307 -0.528 18166 9212 1 15 . 1 1 80 80 GLU H H 80 8.403 8.403 7.784 0.619 18166 9213 1 15 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.355 0.511 18166 9214 1 15 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.138 0.607 18166 9215 1 15 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.438 -0.686 18166 9216 1 15 . 1 1 82 82 THR N N 82 107.443 107.443 111.483 -4.040 18166 9217 1 15 . 1 1 82 82 THR HA H 82 4.607 4.607 4.417 0.190 18166 9218 1 15 . 1 1 82 82 THR CA C 82 61.139 61.139 60.041 1.099 18166 9219 1 15 . 1 1 82 82 THR CB C 82 68.785 68.785 69.101 -0.316 18166 9220 1 15 . 1 1 82 82 THR H H 82 8.129 8.129 7.573 0.556 18166 9221 1 15 . 1 1 83 83 PHE N N 83 123.490 123.490 119.426 4.064 18166 9222 1 15 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.438 0.692 18166 9223 1 15 . 1 1 83 83 PHE CA C 83 55.712 55.712 55.861 -0.149 18166 9224 1 15 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.438 -0.175 18166 9225 1 15 . 1 1 83 83 PHE H H 83 8.022 8.022 6.768 1.254 18166 9226 1 15 . 1 1 84 84 ILE N N 84 131.837 131.837 125.206 6.631 18166 9227 1 15 . 1 1 84 84 ILE HA H 84 3.950 3.950 4.018 -0.068 18166 9228 1 15 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.603 -0.373 18166 9229 1 15 . 1 1 84 84 ILE CB C 84 37.969 37.969 38.288 -0.320 18166 9230 1 15 . 1 1 84 84 ILE H H 84 8.955 8.955 8.493 0.462 18166 9231 1 15 . 1 1 85 85 LYS N N 85 115.465 115.465 119.732 -4.267 18166 9232 1 15 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.103 0.355 18166 9233 1 15 . 1 1 85 85 LYS CA C 85 56.336 56.336 59.418 -3.082 18166 9234 1 15 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.238 0.243 18166 9235 1 15 . 1 1 85 85 LYS H H 85 6.000 6.000 8.570 -2.570 18166 9236 1 15 . 1 1 86 86 GLY N N 86 103.958 103.958 107.272 -3.314 18166 9237 1 15 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.876 1.285 18166 9238 1 15 . 1 1 86 86 GLY H H 86 6.966 6.966 8.542 -1.576 18166 9239 1 15 . 1 1 87 87 TYR N N 87 115.851 115.851 120.877 -5.026 18166 9240 1 15 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.479 -0.539 18166 9241 1 15 . 1 1 87 87 TYR CA C 87 60.197 60.197 59.142 1.055 18166 9242 1 15 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.563 0.670 18166 9243 1 15 . 1 1 87 87 TYR H H 87 6.814 6.814 7.683 -0.869 18166 9244 1 15 . 1 1 88 88 THR N N 88 109.840 109.840 115.363 -5.523 18166 9245 1 15 . 1 1 88 88 THR HA H 88 4.328 4.328 4.220 0.108 18166 9246 1 15 . 1 1 88 88 THR CA C 88 66.353 66.353 66.664 -0.311 18166 9247 1 15 . 1 1 88 88 THR CB C 88 66.371 66.371 68.486 -2.115 18166 9248 1 15 . 1 1 88 88 THR H H 88 8.318 8.318 8.365 -0.047 18166 9249 1 15 . 1 1 89 89 ARG N N 89 121.855 121.855 119.264 2.591 18166 9250 1 15 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.383 -0.306 18166 9251 1 15 . 1 1 89 89 ARG CA C 89 59.029 59.029 56.768 2.261 18166 9252 1 15 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.506 -0.233 18166 9253 1 15 . 1 1 89 89 ARG H H 89 8.320 8.320 7.629 0.691 18166 9254 1 15 . 1 1 90 90 LYS N N 90 124.436 124.436 121.339 3.097 18166 9255 1 15 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.231 -0.302 18166 9256 1 15 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.599 1.263 18166 9257 1 15 . 1 1 90 90 LYS H H 90 7.379 7.379 8.211 -0.832 18166 9258 1 15 . 1 1 91 91 ALA N N 91 121.179 121.179 120.320 0.859 18166 9259 1 15 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.932 -0.440 18166 9260 1 15 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.791 0.263 18166 9261 1 15 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.593 -2.148 18166 9262 1 15 . 1 1 91 91 ALA H H 91 8.460 8.460 7.822 0.638 18166 9263 1 15 . 1 1 92 92 ALA N N 92 118.165 118.165 121.269 -3.104 18166 9264 1 15 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.312 -0.188 18166 9265 1 15 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.778 0.089 18166 9266 1 15 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.561 -0.541 18166 9267 1 15 . 1 1 92 92 ALA H H 92 7.871 7.871 7.739 0.132 18166 9268 1 15 . 1 1 93 93 ALA N N 93 123.065 123.065 121.728 1.337 18166 9269 1 15 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.372 -0.382 18166 9270 1 15 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.882 0.455 18166 9271 1 15 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.535 -1.914 18166 9272 1 15 . 1 1 93 93 ALA H H 93 7.649 7.649 7.708 -0.059 18166 9273 1 15 . 1 1 94 94 LEU N N 94 117.762 117.762 119.105 -1.343 18166 9274 1 15 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.869 0.247 18166 9275 1 15 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.599 0.051 18166 9276 1 15 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.493 0.309 18166 9277 1 15 . 1 1 94 94 LEU H H 94 7.847 7.847 8.172 -0.325 18166 9278 1 15 . 1 1 95 95 GLU N N 95 121.139 121.139 119.370 1.769 18166 9279 1 15 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.095 -0.740 18166 9280 1 15 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.643 -0.515 18166 9281 1 15 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.757 -0.364 18166 9282 1 15 . 1 1 95 95 GLU H H 95 8.971 8.971 8.408 0.563 18166 9283 1 15 . 1 1 96 96 ALA N N 96 124.630 124.630 119.757 4.873 18166 9284 1 15 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.153 -0.202 18166 9285 1 15 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.644 0.928 18166 9286 1 15 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.526 -1.167 18166 9287 1 15 . 1 1 96 96 ALA H H 96 7.890 7.890 7.675 0.215 18166 9288 1 15 . 1 1 97 97 MET N N 97 115.484 115.484 116.828 -1.344 18166 9289 1 15 . 1 1 97 97 MET HA H 97 3.714 3.714 4.445 -0.731 18166 9290 1 15 . 1 1 97 97 MET CA C 97 56.071 56.071 53.842 2.229 18166 9291 1 15 . 1 1 97 97 MET CB C 97 33.654 33.654 32.335 1.319 18166 9292 1 15 . 1 1 97 97 MET H H 97 7.155 7.155 7.456 -0.301 18166 9293 1 15 . 1 1 98 98 LYS N N 98 112.882 112.882 114.750 -1.868 18166 9294 1 15 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.283 -0.553 18166 9295 1 15 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.357 -0.605 18166 9296 1 15 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.121 -1.001 18166 9297 1 15 . 1 1 98 98 LYS H H 98 7.597 7.597 7.597 -0.000 18166 9298 1 15 . 1 1 99 99 ASP N N 99 120.642 120.642 120.621 0.021 18166 9299 1 15 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.702 0.135 18166 9300 1 15 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.214 -2.452 18166 9301 1 15 . 1 1 99 99 ASP CB C 99 37.679 37.679 38.922 -1.243 18166 9302 1 15 . 1 1 99 99 ASP H H 99 7.888 7.888 8.020 -0.132 18166 9303 1 15 . 1 1 100 100 TYR N N 100 117.948 117.948 119.379 -1.431 18166 9304 1 15 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.142 -0.197 18166 9305 1 15 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.985 0.949 18166 9306 1 15 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.236 0.404 18166 9307 1 15 . 1 1 100 100 TYR H H 100 6.984 6.984 7.207 -0.223 18166 9308 1 15 . 1 1 101 101 THR N N 101 113.752 113.752 109.375 4.377 18166 9309 1 15 . 1 1 101 101 THR HA H 101 4.008 4.008 4.121 -0.113 18166 9310 1 15 . 1 1 101 101 THR CA C 101 65.857 65.857 65.203 0.654 18166 9311 1 15 . 1 1 101 101 THR CB C 101 67.689 67.689 68.322 -0.633 18166 9312 1 15 . 1 1 101 101 THR H H 101 8.543 8.543 8.390 0.153 18166 9313 1 15 . 1 1 102 102 LYS N N 102 120.641 120.641 120.887 -0.246 18166 9314 1 15 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.263 -0.121 18166 9315 1 15 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.665 1.421 18166 9316 1 15 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.664 0.515 18166 9317 1 15 . 1 1 102 102 LYS H H 102 7.348 7.348 7.757 -0.409 18166 9318 1 15 . 1 1 103 103 ALA N N 103 120.302 120.302 123.588 -3.286 18166 9319 1 15 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.868 -0.203 18166 9320 1 15 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.299 0.357 18166 9321 1 15 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.553 0.336 18166 9322 1 15 . 1 1 103 103 ALA H H 103 8.344 8.344 8.239 0.105 18166 9323 1 15 . 1 1 104 104 MET N N 104 116.430 116.430 115.278 1.152 18166 9324 1 15 . 1 1 104 104 MET HA H 104 3.939 3.939 4.407 -0.468 18166 9325 1 15 . 1 1 104 104 MET CA C 104 61.020 61.020 59.263 1.757 18166 9326 1 15 . 1 1 104 104 MET CB C 104 33.904 33.904 32.178 1.726 18166 9327 1 15 . 1 1 104 104 MET H H 104 8.375 8.375 8.374 0.001 18166 9328 1 15 . 1 1 105 105 ASP N N 105 117.449 117.449 120.346 -2.897 18166 9329 1 15 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.378 0.132 18166 9330 1 15 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.731 -0.618 18166 9331 1 15 . 1 1 105 105 ASP CB C 105 40.209 40.209 41.317 -1.108 18166 9332 1 15 . 1 1 105 105 ASP H H 105 7.319 7.319 7.998 -0.679 18166 9333 1 15 . 1 1 106 106 VAL N N 106 121.168 121.168 119.817 1.351 18166 9334 1 15 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.460 0.290 18166 9335 1 15 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.438 0.542 18166 9336 1 15 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.543 -0.782 18166 9337 1 15 . 1 1 106 106 VAL H H 106 7.825 7.825 7.490 0.335 18166 9338 1 15 . 1 1 107 107 TYR N N 107 120.714 120.714 119.497 1.217 18166 9339 1 15 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.158 0.113 18166 9340 1 15 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.450 1.003 18166 9341 1 15 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.472 0.682 18166 9342 1 15 . 1 1 107 107 TYR H H 107 9.215 9.215 8.363 0.852 18166 9343 1 15 . 1 1 108 108 GLN N N 108 117.293 117.293 118.720 -1.427 18166 9344 1 15 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.904 -0.071 18166 9345 1 15 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.938 -0.236 18166 9346 1 15 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.285 -0.040 18166 9347 1 15 . 1 1 108 108 GLN H H 108 8.605 8.605 7.949 0.656 18166 9348 1 15 . 1 1 109 109 LYS N N 109 120.342 120.342 118.612 1.730 18166 9349 1 15 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.970 0.032 18166 9350 1 15 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.489 0.049 18166 9351 1 15 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.753 -0.731 18166 9352 1 15 . 1 1 109 109 LYS H H 109 7.571 7.571 7.730 -0.159 18166 9353 1 15 . 1 1 110 110 ALA N N 110 119.851 119.851 122.392 -2.541 18166 9354 1 15 . 1 1 110 110 ALA HA H 110 3.779 3.779 4.216 -0.437 18166 9355 1 15 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.162 -0.110 18166 9356 1 15 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.482 -0.794 18166 9357 1 15 . 1 1 110 110 ALA H H 110 7.693 7.693 7.847 -0.154 18166 9358 1 15 . 1 1 111 111 LEU N N 111 117.859 117.859 118.142 -0.283 18166 9359 1 15 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.032 0.045 18166 9360 1 15 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.340 -1.129 18166 9361 1 15 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.876 -0.067 18166 9362 1 15 . 1 1 111 111 LEU H H 111 7.811 7.811 8.150 -0.339 18166 9363 1 15 . 1 1 112 112 ASP N N 112 118.421 118.421 118.001 0.420 18166 9364 1 15 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.387 -0.136 18166 9365 1 15 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.602 -0.840 18166 9366 1 15 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.232 -2.037 18166 9367 1 15 . 1 1 112 112 ASP H H 112 8.099 8.099 7.804 0.295 18166 9368 1 15 . 1 1 113 113 LEU N N 113 120.299 120.299 119.055 1.244 18166 9369 1 15 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.128 0.029 18166 9370 1 15 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.836 -0.302 18166 9371 1 15 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.607 -0.128 18166 9372 1 15 . 1 1 113 113 LEU H H 113 7.319 7.319 7.550 -0.231 18166 9373 1 15 . 1 1 114 114 ASP N N 114 118.196 118.196 113.547 4.649 18166 9374 1 15 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.788 -0.150 18166 9375 1 15 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.658 -0.470 18166 9376 1 15 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.888 -1.621 18166 9377 1 15 . 1 1 114 114 ASP H H 114 8.190 8.190 7.692 0.498 18166 9378 1 15 . 1 1 115 115 SER N N 115 121.421 121.421 121.230 0.191 18166 9379 1 15 . 1 1 115 115 SER HA H 115 4.272 4.272 4.218 0.054 18166 9380 1 15 . 1 1 115 115 SER CA C 115 60.133 60.133 61.597 -1.464 18166 9381 1 15 . 1 1 115 115 SER CB C 115 62.791 62.791 63.193 -0.402 18166 9382 1 15 . 1 1 115 115 SER H H 115 8.775 8.775 8.754 0.021 18166 9383 1 15 . 1 1 116 116 SER N N 116 116.860 116.860 116.952 -0.092 18166 9384 1 15 . 1 1 116 116 SER HA H 116 4.481 4.481 4.335 0.146 18166 9385 1 15 . 1 1 116 116 SER CA C 116 57.961 57.961 59.595 -1.634 18166 9386 1 15 . 1 1 116 116 SER CB C 116 63.960 63.960 62.600 1.360 18166 9387 1 15 . 1 1 116 116 SER H H 116 8.404 8.404 8.167 0.237 18166 9388 1 15 . 1 1 117 117 CYS N N 117 121.814 121.814 121.319 0.495 18166 9389 1 15 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.497 -0.186 18166 9390 1 15 . 1 1 117 117 CYS CA C 117 58.972 58.972 57.360 1.612 18166 9391 1 15 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.298 -0.432 18166 9392 1 15 . 1 1 117 117 CYS H H 117 7.401 7.401 7.786 -0.385 18166 9393 1 15 . 1 1 118 118 LYS N N 118 105.939 105.939 120.930 -14.991 18166 9394 1 15 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.914 0.058 18166 9395 1 15 . 1 1 118 118 LYS CA C 118 58.867 58.867 58.981 -0.114 18166 9396 1 15 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.547 0.809 18166 9397 1 15 . 1 1 118 118 LYS H H 118 8.647 8.647 8.133 0.514 18166 9398 1 15 . 1 1 119 119 GLU N N 119 117.724 117.724 118.167 -0.443 18166 9399 1 15 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.031 0.100 18166 9400 1 15 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.088 -0.088 18166 9401 1 15 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.916 0.556 18166 9402 1 15 . 1 1 119 119 GLU H H 119 8.998 8.998 8.087 0.911 18166 9403 1 15 . 1 1 120 120 ALA N N 120 120.855 120.855 120.778 0.077 18166 9404 1 15 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.342 0.026 18166 9405 1 15 . 1 1 120 120 ALA CA C 120 53.306 53.306 53.967 -0.661 18166 9406 1 15 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.728 -0.615 18166 9407 1 15 . 1 1 120 120 ALA H H 120 7.494 7.494 8.125 -0.631 18166 9408 1 15 . 1 1 121 121 ALA N N 121 123.265 123.265 122.532 0.733 18166 9409 1 15 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.045 -0.050 18166 9410 1 15 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.085 -0.293 18166 9411 1 15 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.418 -0.614 18166 9412 1 15 . 1 1 121 121 ALA H H 121 7.914 7.914 7.601 0.313 18166 9413 1 15 . 1 1 122 122 ASP N N 122 118.732 118.732 118.755 -0.023 18166 9414 1 15 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.252 0.019 18166 9415 1 15 . 1 1 122 122 ASP CA C 122 56.242 56.242 58.652 -2.410 18166 9416 1 15 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.458 -1.343 18166 9417 1 15 . 1 1 122 122 ASP H H 122 8.964 8.964 7.994 0.970 18166 9418 1 15 . 1 1 123 123 GLY N N 123 108.568 108.568 107.246 1.322 18166 9419 1 15 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.595 0.019 18166 9420 1 15 . 1 1 123 123 GLY H H 123 7.572 7.572 7.553 0.019 18166 9421 1 15 . 1 1 124 124 TYR N N 124 122.944 122.944 122.640 0.304 18166 9422 1 15 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.591 0.023 18166 9423 1 15 . 1 1 124 124 TYR CA C 124 63.184 63.184 59.989 3.195 18166 9424 1 15 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.999 -0.102 18166 9425 1 15 . 1 1 124 124 TYR H H 124 8.162 8.162 7.518 0.644 18166 9426 1 15 . 1 1 125 125 GLN N N 125 115.988 115.988 116.526 -0.538 18166 9427 1 15 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.561 0.314 18166 9428 1 15 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.420 0.200 18166 9429 1 15 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.503 0.634 18166 9430 1 15 . 1 1 125 125 GLN H H 125 7.510 7.510 7.841 -0.331 18166 9431 1 15 . 1 1 126 126 ARG N N 126 118.626 118.626 118.984 -0.358 18166 9432 1 15 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.018 -0.085 18166 9433 1 15 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.930 0.887 18166 9434 1 15 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.240 0.852 18166 9435 1 15 . 1 1 126 126 ARG H H 126 8.139 8.139 7.483 0.656 18166 9436 1 15 . 1 1 127 127 CYS N N 127 116.985 116.985 117.279 -0.294 18166 9437 1 15 . 1 1 127 127 CYS HA H 127 3.889 3.889 3.914 -0.025 18166 9438 1 15 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.876 1.087 18166 9439 1 15 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.454 0.312 18166 9440 1 15 . 1 1 127 127 CYS H H 127 8.097 8.097 7.678 0.419 18166 9441 1 15 . 1 1 128 128 MET N N 128 120.493 120.493 118.823 1.670 18166 9442 1 15 . 1 1 128 128 MET HA H 128 3.989 3.989 3.879 0.110 18166 9443 1 15 . 1 1 128 128 MET CA C 128 58.420 58.420 58.659 -0.239 18166 9444 1 15 . 1 1 128 128 MET CB C 128 31.539 31.539 31.773 -0.234 18166 9445 1 15 . 1 1 128 128 MET H H 128 8.163 8.163 7.871 0.292 18166 9446 1 15 . 1 1 129 129 MET N N 129 115.583 115.583 115.758 -0.175 18166 9447 1 15 . 1 1 129 129 MET HA H 129 4.211 4.211 4.300 -0.089 18166 9448 1 15 . 1 1 129 129 MET CA C 129 56.677 56.677 57.444 -0.767 18166 9449 1 15 . 1 1 129 129 MET CB C 129 31.951 31.951 32.250 -0.299 18166 9450 1 15 . 1 1 129 129 MET H H 129 7.723 7.723 7.341 0.382 18166 9451 1 15 . 1 1 130 130 ALA N N 130 121.061 121.061 121.123 -0.062 18166 9452 1 15 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.876 0.032 18166 9453 1 15 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.191 -1.111 18166 9454 1 15 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.640 -1.136 18166 9455 1 15 . 1 1 130 130 ALA H H 130 7.458 7.458 7.352 0.106 18166 9456 1 15 . 1 1 131 131 GLN N N 131 114.560 114.560 116.225 -1.665 18166 9457 1 15 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.210 -0.204 18166 9458 1 15 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.694 -0.891 18166 9459 1 15 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.275 -0.170 18166 9460 1 15 . 1 1 131 131 GLN H H 131 7.214 7.214 7.199 0.015 18166 9461 1 15 . 1 1 132 132 TYR N N 132 117.856 117.856 117.600 0.256 18166 9462 1 15 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.687 -0.045 18166 9463 1 15 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.314 2.244 18166 9464 1 15 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.706 1.605 18166 9465 1 15 . 1 1 132 132 TYR H H 132 7.545 7.545 7.331 0.214 18166 9466 1 16 . 1 1 2 2 GLY N N 2 109.986 109.986 110.847 -0.861 18166 9467 1 16 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.069 -0.259 18166 9468 1 16 . 1 1 2 2 GLY H H 2 8.520 8.520 8.584 -0.064 18166 9469 1 16 . 1 1 3 3 HIS N N 3 117.442 117.442 119.671 -2.229 18166 9470 1 16 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.402 0.218 18166 9471 1 16 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.552 -2.124 18166 9472 1 16 . 1 1 3 3 HIS H H 3 8.406 8.406 8.264 0.142 18166 9473 1 16 . 1 1 4 4 HIS N N 4 118.932 118.932 119.434 -0.502 18166 9474 1 16 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.079 0.549 18166 9475 1 16 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.207 -1.300 18166 9476 1 16 . 1 1 4 4 HIS CB C 4 28.198 28.198 28.326 -0.128 18166 9477 1 16 . 1 1 4 4 HIS H H 4 8.552 8.552 8.128 0.424 18166 9478 1 16 . 1 1 5 5 HIS N N 5 119.580 119.580 120.614 -1.034 18166 9479 1 16 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.497 0.151 18166 9480 1 16 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.479 -0.346 18166 9481 1 16 . 1 1 5 5 HIS CB C 5 28.761 28.761 28.727 0.034 18166 9482 1 16 . 1 1 5 5 HIS H H 5 8.615 8.615 8.259 0.356 18166 9483 1 16 . 1 1 6 6 HIS N N 6 121.369 121.369 125.651 -4.282 18166 9484 1 16 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.424 0.224 18166 9485 1 16 . 1 1 6 6 HIS CA C 6 54.949 54.949 56.894 -1.945 18166 9486 1 16 . 1 1 6 6 HIS CB C 6 29.100 29.100 29.100 -0.000 18166 9487 1 16 . 1 1 6 6 HIS H H 6 8.732 8.732 8.293 0.439 18166 9488 1 16 . 1 1 7 7 HIS N N 7 120.276 120.276 125.098 -4.822 18166 9489 1 16 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.820 -0.178 18166 9490 1 16 . 1 1 7 7 HIS CA C 7 55.147 55.147 55.745 -0.598 18166 9491 1 16 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.078 -1.254 18166 9492 1 16 . 1 1 7 7 HIS H H 7 8.708 8.708 8.646 0.062 18166 9493 1 16 . 1 1 8 8 HIS N N 8 120.007 120.007 122.023 -2.016 18166 9494 1 16 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.646 0.050 18166 9495 1 16 . 1 1 8 8 HIS CA C 8 54.861 54.861 54.499 0.362 18166 9496 1 16 . 1 1 8 8 HIS CB C 8 28.696 28.696 31.313 -2.617 18166 9497 1 16 . 1 1 8 8 HIS H H 8 8.708 8.708 8.224 0.484 18166 9498 1 16 . 1 1 9 9 SER N N 9 117.977 117.977 117.876 0.101 18166 9499 1 16 . 1 1 9 9 SER HA H 9 4.404 4.404 4.397 0.007 18166 9500 1 16 . 1 1 9 9 SER CA C 9 57.718 57.718 58.656 -0.938 18166 9501 1 16 . 1 1 9 9 SER CB C 9 63.246 63.246 61.755 1.491 18166 9502 1 16 . 1 1 9 9 SER H H 9 8.535 8.535 8.643 -0.108 18166 9503 1 16 . 1 1 10 10 HIS N N 10 120.441 120.441 122.571 -2.130 18166 9504 1 16 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.720 -0.025 18166 9505 1 16 . 1 1 10 10 HIS H H 10 8.744 8.744 8.206 0.538 18166 9506 1 16 . 1 1 11 11 MET N N 11 122.004 122.004 122.628 -0.624 18166 9507 1 16 . 1 1 11 11 MET HA H 11 4.427 4.427 4.148 0.279 18166 9508 1 16 . 1 1 11 11 MET CA C 11 54.665 54.665 57.704 -3.039 18166 9509 1 16 . 1 1 11 11 MET CB C 11 32.913 32.913 32.557 0.356 18166 9510 1 16 . 1 1 11 11 MET H H 11 8.443 8.443 8.248 0.195 18166 9511 1 16 . 1 1 12 12 ASN N N 12 121.852 121.852 118.479 3.373 18166 9512 1 16 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.860 0.077 18166 9513 1 16 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.642 -0.262 18166 9514 1 16 . 1 1 12 12 ASN CB C 12 38.313 38.313 37.875 0.438 18166 9515 1 16 . 1 1 12 12 ASN H H 12 8.631 8.631 8.287 0.344 18166 9516 1 16 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.455 -0.095 18166 9517 1 16 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.919 -1.770 18166 9518 1 16 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.110 -0.358 18166 9519 1 16 . 1 1 14 14 ASP N N 14 119.643 119.643 114.565 5.078 18166 9520 1 16 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.670 -0.127 18166 9521 1 16 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.767 0.261 18166 9522 1 16 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.424 -1.662 18166 9523 1 16 . 1 1 14 14 ASP H H 14 8.344 8.344 7.837 0.507 18166 9524 1 16 . 1 1 15 15 LEU N N 15 123.333 123.333 126.066 -2.733 18166 9525 1 16 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.112 0.037 18166 9526 1 16 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.638 -1.195 18166 9527 1 16 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.832 -0.456 18166 9528 1 16 . 1 1 15 15 LEU H H 15 8.119 8.119 8.752 -0.633 18166 9529 1 16 . 1 1 16 16 ALA N N 16 121.879 121.879 120.784 1.095 18166 9530 1 16 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.093 0.021 18166 9531 1 16 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.318 -0.948 18166 9532 1 16 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.685 -0.637 18166 9533 1 16 . 1 1 16 16 ALA H H 16 8.212 8.212 7.963 0.249 18166 9534 1 16 . 1 1 17 17 LEU N N 17 118.990 118.990 115.329 3.661 18166 9535 1 16 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.406 -0.267 18166 9536 1 16 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.036 -0.927 18166 9537 1 16 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.087 -0.711 18166 9538 1 16 . 1 1 17 17 LEU H H 17 7.719 7.719 7.576 0.143 18166 9539 1 16 . 1 1 18 18 MET N N 18 118.534 118.534 118.508 0.026 18166 9540 1 16 . 1 1 18 18 MET HA H 18 4.274 4.274 4.308 -0.034 18166 9541 1 16 . 1 1 18 18 MET CA C 18 56.497 56.497 57.107 -0.610 18166 9542 1 16 . 1 1 18 18 MET CB C 18 31.787 31.787 31.206 0.582 18166 9543 1 16 . 1 1 18 18 MET H H 18 7.996 7.996 7.671 0.325 18166 9544 1 16 . 1 1 19 19 VAL N N 19 119.243 119.243 118.831 0.412 18166 9545 1 16 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.801 0.031 18166 9546 1 16 . 1 1 19 19 VAL CA C 19 63.734 63.734 64.850 -1.116 18166 9547 1 16 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.447 0.209 18166 9548 1 16 . 1 1 19 19 VAL H H 19 7.915 7.915 7.632 0.283 18166 9549 1 16 . 1 1 20 20 LYS N N 20 123.321 123.321 118.724 4.597 18166 9550 1 16 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.152 -0.175 18166 9551 1 16 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.235 -0.892 18166 9552 1 16 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.778 0.218 18166 9553 1 16 . 1 1 20 20 LYS H H 20 8.139 8.139 7.662 0.477 18166 9554 1 16 . 1 1 21 21 ASN N N 21 118.732 118.732 119.990 -1.258 18166 9555 1 16 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.489 0.089 18166 9556 1 16 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.096 -1.856 18166 9557 1 16 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.158 -0.419 18166 9558 1 16 . 1 1 21 21 ASN H H 21 8.349 8.349 7.757 0.592 18166 9559 1 16 . 1 1 22 22 LYS N N 22 121.941 121.941 119.781 2.160 18166 9560 1 16 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.150 -0.126 18166 9561 1 16 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.389 -0.079 18166 9562 1 16 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.253 0.266 18166 9563 1 16 . 1 1 22 22 LYS H H 22 8.185 8.185 7.418 0.767 18166 9564 1 16 . 1 1 23 23 GLY N N 23 107.792 107.792 108.757 -0.965 18166 9565 1 16 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.406 1.360 18166 9566 1 16 . 1 1 23 23 GLY H H 23 8.336 8.336 7.717 0.619 18166 9567 1 16 . 1 1 24 24 ASN N N 24 120.049 120.049 120.349 -0.300 18166 9568 1 16 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.655 -0.071 18166 9569 1 16 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.453 -0.252 18166 9570 1 16 . 1 1 24 24 ASN CB C 24 37.570 37.570 37.987 -0.417 18166 9571 1 16 . 1 1 24 24 ASN H H 24 8.337 8.337 8.189 0.148 18166 9572 1 16 . 1 1 25 25 GLU N N 25 121.510 121.510 121.334 0.176 18166 9573 1 16 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.107 -0.060 18166 9574 1 16 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.476 -0.500 18166 9575 1 16 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.824 -0.721 18166 9576 1 16 . 1 1 25 25 GLU H H 25 8.366 8.366 7.781 0.585 18166 9577 1 16 . 1 1 26 26 CYS N N 26 116.512 116.512 117.961 -1.449 18166 9578 1 16 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.161 -0.059 18166 9579 1 16 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.775 0.229 18166 9580 1 16 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.116 0.141 18166 9581 1 16 . 1 1 26 26 CYS H H 26 8.092 8.092 8.053 0.038 18166 9582 1 16 . 1 1 27 27 PHE N N 27 122.066 122.066 120.970 1.096 18166 9583 1 16 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.535 -0.783 18166 9584 1 16 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.881 0.599 18166 9585 1 16 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.880 1.022 18166 9586 1 16 . 1 1 27 27 PHE H H 27 8.756 8.756 7.995 0.761 18166 9587 1 16 . 1 1 28 28 GLN N N 28 119.430 119.430 119.455 -0.025 18166 9588 1 16 . 1 1 28 28 GLN HA H 28 4.016 4.016 3.955 0.061 18166 9589 1 16 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.950 0.175 18166 9590 1 16 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.300 -0.090 18166 9591 1 16 . 1 1 28 28 GLN H H 28 8.574 8.574 7.868 0.706 18166 9592 1 16 . 1 1 29 29 LYS N N 29 116.011 116.011 117.345 -1.334 18166 9593 1 16 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.269 -0.025 18166 9594 1 16 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.634 0.464 18166 9595 1 16 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.365 0.171 18166 9596 1 16 . 1 1 29 29 LYS H H 29 7.410 7.410 7.479 -0.069 18166 9597 1 16 . 1 1 30 30 GLY N N 30 107.636 107.636 108.384 -0.748 18166 9598 1 16 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.802 -0.219 18166 9599 1 16 . 1 1 30 30 GLY H H 30 7.566 7.566 7.717 -0.151 18166 9600 1 16 . 1 1 31 31 ASP N N 31 120.587 120.587 121.749 -1.162 18166 9601 1 16 . 1 1 31 31 ASP HA H 31 4.668 4.668 5.042 -0.374 18166 9602 1 16 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.087 -2.046 18166 9603 1 16 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.520 -1.802 18166 9604 1 16 . 1 1 31 31 ASP H H 31 7.826 7.826 7.739 0.087 18166 9605 1 16 . 1 1 32 32 TYR N N 32 120.190 120.190 124.962 -4.772 18166 9606 1 16 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.814 -1.042 18166 9607 1 16 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.727 0.527 18166 9608 1 16 . 1 1 32 32 TYR H H 32 7.313 7.313 8.601 -1.288 18166 9609 1 16 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.273 -0.053 18166 9610 1 16 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.243 1.112 18166 9611 1 16 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.156 0.131 18166 9612 1 16 . 1 1 34 34 GLN N N 34 115.797 115.797 117.421 -1.624 18166 9613 1 16 . 1 1 34 34 GLN HA H 34 3.925 3.925 4.053 -0.128 18166 9614 1 16 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.436 -0.272 18166 9615 1 16 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.222 1.156 18166 9616 1 16 . 1 1 34 34 GLN H H 34 7.278 7.278 8.864 -1.586 18166 9617 1 16 . 1 1 35 35 ALA N N 35 121.852 121.852 122.416 -0.564 18166 9618 1 16 . 1 1 35 35 ALA HA H 35 4.072 4.072 2.363 1.709 18166 9619 1 16 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.458 1.139 18166 9620 1 16 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.773 0.772 18166 9621 1 16 . 1 1 35 35 ALA H H 35 8.376 8.376 7.484 0.892 18166 9622 1 16 . 1 1 36 36 MET N N 36 116.867 116.867 117.262 -0.395 18166 9623 1 16 . 1 1 36 36 MET HA H 36 3.887 3.887 3.940 -0.053 18166 9624 1 16 . 1 1 36 36 MET CA C 36 59.400 59.400 58.563 0.837 18166 9625 1 16 . 1 1 36 36 MET CB C 36 30.626 30.626 32.501 -1.875 18166 9626 1 16 . 1 1 36 36 MET H H 36 8.538 8.538 7.615 0.923 18166 9627 1 16 . 1 1 37 37 LYS N N 37 122.037 122.037 117.571 4.466 18166 9628 1 16 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.029 -0.117 18166 9629 1 16 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.069 0.156 18166 9630 1 16 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.496 -0.300 18166 9631 1 16 . 1 1 37 37 LYS H H 37 7.599 7.599 7.330 0.269 18166 9632 1 16 . 1 1 38 38 HIS N N 38 117.718 117.718 117.235 0.483 18166 9633 1 16 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.600 0.035 18166 9634 1 16 . 1 1 38 38 HIS CA C 38 58.000 58.000 57.722 0.278 18166 9635 1 16 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.590 -1.590 18166 9636 1 16 . 1 1 38 38 HIS H H 38 7.908 7.908 7.872 0.036 18166 9637 1 16 . 1 1 39 39 TYR N N 39 118.987 118.987 119.984 -0.997 18166 9638 1 16 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.482 -0.017 18166 9639 1 16 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.269 0.984 18166 9640 1 16 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.338 -0.547 18166 9641 1 16 . 1 1 39 39 TYR H H 39 9.156 9.156 7.664 1.492 18166 9642 1 16 . 1 1 40 40 THR N N 40 117.147 117.147 116.439 0.708 18166 9643 1 16 . 1 1 40 40 THR HA H 40 3.872 3.872 3.911 -0.039 18166 9644 1 16 . 1 1 40 40 THR CA C 40 67.449 67.449 66.963 0.486 18166 9645 1 16 . 1 1 40 40 THR CB C 40 68.728 68.728 68.415 0.313 18166 9646 1 16 . 1 1 40 40 THR H H 40 8.476 8.476 7.434 1.042 18166 9647 1 16 . 1 1 41 41 GLU N N 41 122.067 122.067 120.153 1.914 18166 9648 1 16 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.081 -0.102 18166 9649 1 16 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.935 -0.190 18166 9650 1 16 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.900 -0.177 18166 9651 1 16 . 1 1 41 41 GLU H H 41 7.762 7.762 7.927 -0.165 18166 9652 1 16 . 1 1 42 42 ALA N N 42 122.040 122.040 121.900 0.140 18166 9653 1 16 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.156 -0.187 18166 9654 1 16 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.496 0.673 18166 9655 1 16 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.540 -0.170 18166 9656 1 16 . 1 1 42 42 ALA H H 42 8.191 8.191 7.346 0.845 18166 9657 1 16 . 1 1 43 43 ILE N N 43 122.662 122.662 118.947 3.715 18166 9658 1 16 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.658 -0.342 18166 9659 1 16 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.873 0.725 18166 9660 1 16 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.557 0.930 18166 9661 1 16 . 1 1 43 43 ILE H H 43 8.427 8.427 7.770 0.657 18166 9662 1 16 . 1 1 44 44 LYS N N 44 117.349 117.349 117.184 0.165 18166 9663 1 16 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.080 -0.139 18166 9664 1 16 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.785 0.916 18166 9665 1 16 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.073 -0.082 18166 9666 1 16 . 1 1 44 44 LYS H H 44 7.473 7.473 7.393 0.080 18166 9667 1 16 . 1 1 45 45 ARG N N 45 114.723 114.723 117.188 -2.465 18166 9668 1 16 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.395 -0.222 18166 9669 1 16 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.019 0.387 18166 9670 1 16 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.430 -1.093 18166 9671 1 16 . 1 1 45 45 ARG H H 45 7.150 7.150 7.584 -0.434 18166 9672 1 16 . 1 1 46 46 ASN N N 46 115.919 115.919 116.374 -0.455 18166 9673 1 16 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.168 -0.095 18166 9674 1 16 . 1 1 46 46 ASN CA C 46 51.157 51.157 50.633 0.524 18166 9675 1 16 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.371 -0.740 18166 9676 1 16 . 1 1 46 46 ASN H H 46 7.885 7.885 8.202 -0.317 18166 9677 1 16 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.801 -0.069 18166 9678 1 16 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.367 -0.162 18166 9679 1 16 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.093 -0.139 18166 9680 1 16 . 1 1 48 48 LYS N N 48 118.494 118.494 117.863 0.631 18166 9681 1 16 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.378 0.257 18166 9682 1 16 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.308 -1.308 18166 9683 1 16 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.402 -0.975 18166 9684 1 16 . 1 1 48 48 LYS H H 48 8.154 8.154 8.085 0.069 18166 9685 1 16 . 1 1 49 49 ASP N N 49 119.387 119.387 121.317 -1.930 18166 9686 1 16 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.638 0.052 18166 9687 1 16 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.328 -0.450 18166 9688 1 16 . 1 1 49 49 ASP CB C 49 40.026 40.026 41.138 -1.112 18166 9689 1 16 . 1 1 49 49 ASP H H 49 7.317 7.317 7.590 -0.273 18166 9690 1 16 . 1 1 50 50 ALA N N 50 128.206 128.206 130.263 -2.057 18166 9691 1 16 . 1 1 50 50 ALA HA H 50 4.041 4.041 3.761 0.280 18166 9692 1 16 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.218 0.346 18166 9693 1 16 . 1 1 50 50 ALA CB C 50 20.090 20.090 17.932 2.158 18166 9694 1 16 . 1 1 50 50 ALA H H 50 8.466 8.466 8.243 0.223 18166 9695 1 16 . 1 1 51 51 LYS N N 51 113.628 113.628 116.453 -2.825 18166 9696 1 16 . 1 1 51 51 LYS HA H 51 3.877 3.877 3.821 0.056 18166 9697 1 16 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.638 0.676 18166 9698 1 16 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.183 0.137 18166 9699 1 16 . 1 1 51 51 LYS H H 51 7.985 7.985 8.100 -0.115 18166 9700 1 16 . 1 1 52 52 LEU N N 52 117.207 117.207 119.892 -2.685 18166 9701 1 16 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.835 -0.163 18166 9702 1 16 . 1 1 52 52 LEU CA C 52 57.278 57.278 56.833 0.445 18166 9703 1 16 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.725 1.367 18166 9704 1 16 . 1 1 52 52 LEU H H 52 7.323 7.323 7.458 -0.135 18166 9705 1 16 . 1 1 53 53 TYR N N 53 116.167 116.167 117.944 -1.777 18166 9706 1 16 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.143 -0.265 18166 9707 1 16 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.287 0.286 18166 9708 1 16 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.742 0.405 18166 9709 1 16 . 1 1 53 53 TYR H H 53 6.955 6.955 7.471 -0.516 18166 9710 1 16 . 1 1 54 54 SER N N 54 112.799 112.799 113.926 -1.127 18166 9711 1 16 . 1 1 54 54 SER HA H 54 3.976 3.976 4.303 -0.327 18166 9712 1 16 . 1 1 54 54 SER CA C 54 61.200 61.200 60.193 1.007 18166 9713 1 16 . 1 1 54 54 SER CB C 54 62.184 62.184 62.854 -0.670 18166 9714 1 16 . 1 1 54 54 SER H H 54 7.661 7.661 8.237 -0.576 18166 9715 1 16 . 1 1 55 55 ASN N N 55 119.126 119.126 120.240 -1.114 18166 9716 1 16 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.227 -0.128 18166 9717 1 16 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.406 -0.165 18166 9718 1 16 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.395 -1.118 18166 9719 1 16 . 1 1 55 55 ASN H H 55 7.729 7.729 7.932 -0.203 18166 9720 1 16 . 1 1 56 56 ARG N N 56 122.589 122.589 119.577 3.012 18166 9721 1 16 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.776 0.357 18166 9722 1 16 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.032 2.528 18166 9723 1 16 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.687 -0.618 18166 9724 1 16 . 1 1 56 56 ARG H H 56 8.329 8.329 7.802 0.527 18166 9725 1 16 . 1 1 57 57 ALA N N 57 122.569 122.569 121.680 0.889 18166 9726 1 16 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.151 0.109 18166 9727 1 16 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.990 1.085 18166 9728 1 16 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.311 1.578 18166 9729 1 16 . 1 1 57 57 ALA H H 57 8.857 8.857 7.536 1.321 18166 9730 1 16 . 1 1 58 58 ALA N N 58 120.015 120.015 120.386 -0.371 18166 9731 1 16 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.069 0.014 18166 9732 1 16 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.393 0.657 18166 9733 1 16 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.197 -0.373 18166 9734 1 16 . 1 1 58 58 ALA H H 58 7.574 7.574 7.886 -0.312 18166 9735 1 16 . 1 1 59 59 CYS N N 59 117.074 117.074 116.762 0.312 18166 9736 1 16 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.025 0.037 18166 9737 1 16 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.641 0.604 18166 9738 1 16 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.516 0.311 18166 9739 1 16 . 1 1 59 59 CYS H H 59 7.523 7.523 7.438 0.085 18166 9740 1 16 . 1 1 60 60 TYR N N 60 118.554 118.554 119.596 -1.042 18166 9741 1 16 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.113 0.174 18166 9742 1 16 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.891 1.013 18166 9743 1 16 . 1 1 60 60 TYR CB C 60 38.277 38.277 36.980 1.297 18166 9744 1 16 . 1 1 60 60 TYR H H 60 8.684 8.684 8.039 0.645 18166 9745 1 16 . 1 1 61 61 THR N N 61 116.951 116.951 111.496 5.455 18166 9746 1 16 . 1 1 61 61 THR HA H 61 4.264 4.264 2.835 1.429 18166 9747 1 16 . 1 1 61 61 THR CA C 61 67.645 67.645 65.154 2.491 18166 9748 1 16 . 1 1 61 61 THR CB C 61 67.784 67.784 68.223 -0.439 18166 9749 1 16 . 1 1 61 61 THR H H 61 8.572 8.572 8.339 0.233 18166 9750 1 16 . 1 1 62 62 LYS N N 62 122.578 122.578 122.534 0.044 18166 9751 1 16 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.246 -0.322 18166 9752 1 16 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.148 -0.942 18166 9753 1 16 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.311 -1.517 18166 9754 1 16 . 1 1 62 62 LYS H H 62 7.410 7.410 7.614 -0.204 18166 9755 1 16 . 1 1 63 63 LEU N N 63 117.404 117.404 118.910 -1.506 18166 9756 1 16 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.387 -0.171 18166 9757 1 16 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.010 -0.965 18166 9758 1 16 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.829 -1.186 18166 9759 1 16 . 1 1 63 63 LEU H H 63 7.397 7.397 7.765 -0.368 18166 9760 1 16 . 1 1 64 64 LEU N N 64 113.668 113.668 114.901 -1.233 18166 9761 1 16 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.254 -1.284 18166 9762 1 16 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.050 -1.232 18166 9763 1 16 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.270 -2.019 18166 9764 1 16 . 1 1 64 64 LEU H H 64 7.457 7.457 7.666 -0.209 18166 9765 1 16 . 1 1 65 65 GLU N N 65 120.636 120.636 120.207 0.429 18166 9766 1 16 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.467 -0.064 18166 9767 1 16 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.112 -1.882 18166 9768 1 16 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.529 -0.439 18166 9769 1 16 . 1 1 65 65 GLU H H 65 8.085 8.085 8.152 -0.067 18166 9770 1 16 . 1 1 66 66 PHE N N 66 118.292 118.292 120.143 -1.851 18166 9771 1 16 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.111 -0.085 18166 9772 1 16 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.374 -1.385 18166 9773 1 16 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.971 -0.688 18166 9774 1 16 . 1 1 66 66 PHE H H 66 6.812 6.812 7.934 -1.122 18166 9775 1 16 . 1 1 67 67 GLN N N 67 117.166 117.166 117.878 -0.712 18166 9776 1 16 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.048 -0.065 18166 9777 1 16 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.938 -0.260 18166 9778 1 16 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.979 -1.135 18166 9779 1 16 . 1 1 67 67 GLN H H 67 8.589 8.589 8.609 -0.020 18166 9780 1 16 . 1 1 68 68 LEU N N 68 119.871 119.871 119.328 0.543 18166 9781 1 16 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.992 -0.226 18166 9782 1 16 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.661 0.814 18166 9783 1 16 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.872 -2.852 18166 9784 1 16 . 1 1 68 68 LEU H H 68 7.422 7.422 7.801 -0.379 18166 9785 1 16 . 1 1 69 69 ALA N N 69 121.380 121.380 122.035 -0.655 18166 9786 1 16 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.196 -0.063 18166 9787 1 16 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.019 0.809 18166 9788 1 16 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.391 0.116 18166 9789 1 16 . 1 1 69 69 ALA H H 69 7.871 7.871 7.741 0.130 18166 9790 1 16 . 1 1 70 70 LEU N N 70 118.569 118.569 119.537 -0.968 18166 9791 1 16 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.841 -0.027 18166 9792 1 16 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.984 0.595 18166 9793 1 16 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.708 -0.782 18166 9794 1 16 . 1 1 70 70 LEU H H 70 8.519 8.519 8.256 0.263 18166 9795 1 16 . 1 1 71 71 LYS N N 71 119.700 119.700 117.450 2.250 18166 9796 1 16 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.144 -0.167 18166 9797 1 16 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.873 0.322 18166 9798 1 16 . 1 1 71 71 LYS H H 71 7.619 7.619 7.512 0.107 18166 9799 1 16 . 1 1 72 72 ASP N N 72 121.506 121.506 121.208 0.298 18166 9800 1 16 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.519 0.095 18166 9801 1 16 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.644 -0.351 18166 9802 1 16 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.535 -1.554 18166 9803 1 16 . 1 1 72 72 ASP H H 72 7.460 7.460 8.386 -0.926 18166 9804 1 16 . 1 1 73 73 CYS N N 73 118.302 118.302 118.790 -0.488 18166 9805 1 16 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.218 -0.384 18166 9806 1 16 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.304 3.383 18166 9807 1 16 . 1 1 73 73 CYS CB C 73 26.546 26.546 26.809 -0.263 18166 9808 1 16 . 1 1 73 73 CYS H H 73 8.366 8.366 7.765 0.601 18166 9809 1 16 . 1 1 74 74 GLU N N 74 117.660 117.660 119.386 -1.726 18166 9810 1 16 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.009 -0.108 18166 9811 1 16 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.317 -1.104 18166 9812 1 16 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.575 -1.559 18166 9813 1 16 . 1 1 74 74 GLU H H 74 8.244 8.244 8.130 0.114 18166 9814 1 16 . 1 1 75 75 GLU N N 75 119.807 119.807 117.717 2.090 18166 9815 1 16 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.196 -0.303 18166 9816 1 16 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.536 -0.387 18166 9817 1 16 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.886 -3.212 18166 9818 1 16 . 1 1 75 75 GLU H H 75 7.394 7.394 7.934 -0.540 18166 9819 1 16 . 1 1 76 76 CYS N N 76 118.342 118.342 120.034 -1.692 18166 9820 1 16 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.969 -0.128 18166 9821 1 16 . 1 1 76 76 CYS CA C 76 64.303 64.303 62.539 1.764 18166 9822 1 16 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.839 -0.468 18166 9823 1 16 . 1 1 76 76 CYS H H 76 7.852 7.852 8.029 -0.177 18166 9824 1 16 . 1 1 77 77 ILE N N 77 117.728 117.728 118.775 -1.047 18166 9825 1 16 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.409 -0.929 18166 9826 1 16 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.262 0.947 18166 9827 1 16 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.846 0.703 18166 9828 1 16 . 1 1 77 77 ILE H H 77 7.897 7.897 7.799 0.098 18166 9829 1 16 . 1 1 78 78 GLN N N 78 117.037 117.037 118.154 -1.117 18166 9830 1 16 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.152 -0.247 18166 9831 1 16 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.582 0.632 18166 9832 1 16 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.904 -0.554 18166 9833 1 16 . 1 1 78 78 GLN H H 78 7.655 7.655 7.599 0.056 18166 9834 1 16 . 1 1 79 79 LEU N N 79 118.180 118.180 119.815 -1.635 18166 9835 1 16 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.125 -0.030 18166 9836 1 16 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.784 -0.269 18166 9837 1 16 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.938 1.106 18166 9838 1 16 . 1 1 79 79 LEU H H 79 8.021 8.021 7.593 0.428 18166 9839 1 16 . 1 1 80 80 GLU N N 80 117.250 117.250 116.869 0.381 18166 9840 1 16 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.799 0.037 18166 9841 1 16 . 1 1 80 80 GLU CA C 80 53.542 53.542 52.926 0.616 18166 9842 1 16 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.726 0.053 18166 9843 1 16 . 1 1 80 80 GLU H H 80 8.403 8.403 7.885 0.518 18166 9844 1 16 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.681 0.185 18166 9845 1 16 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.537 0.208 18166 9846 1 16 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.486 -0.734 18166 9847 1 16 . 1 1 82 82 THR N N 82 107.443 107.443 110.705 -3.262 18166 9848 1 16 . 1 1 82 82 THR HA H 82 4.607 4.607 4.343 0.264 18166 9849 1 16 . 1 1 82 82 THR CA C 82 61.139 61.139 61.135 0.004 18166 9850 1 16 . 1 1 82 82 THR CB C 82 68.785 68.785 68.711 0.074 18166 9851 1 16 . 1 1 82 82 THR H H 82 8.129 8.129 7.787 0.342 18166 9852 1 16 . 1 1 83 83 PHE N N 83 123.490 123.490 124.177 -0.687 18166 9853 1 16 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.574 0.556 18166 9854 1 16 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.310 -0.598 18166 9855 1 16 . 1 1 83 83 PHE CB C 83 38.263 38.263 39.111 -0.848 18166 9856 1 16 . 1 1 83 83 PHE H H 83 8.022 8.022 7.633 0.389 18166 9857 1 16 . 1 1 84 84 ILE N N 84 131.837 131.837 126.638 5.199 18166 9858 1 16 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.420 0.530 18166 9859 1 16 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.842 -0.612 18166 9860 1 16 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.718 0.252 18166 9861 1 16 . 1 1 84 84 ILE H H 84 8.955 8.955 7.631 1.324 18166 9862 1 16 . 1 1 85 85 LYS N N 85 115.465 115.465 116.959 -1.494 18166 9863 1 16 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.173 0.285 18166 9864 1 16 . 1 1 85 85 LYS CA C 85 56.336 56.336 56.711 -0.375 18166 9865 1 16 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.297 0.184 18166 9866 1 16 . 1 1 85 85 LYS H H 85 6.000 6.000 7.599 -1.599 18166 9867 1 16 . 1 1 86 86 GLY N N 86 103.958 103.958 108.046 -4.088 18166 9868 1 16 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.953 1.208 18166 9869 1 16 . 1 1 86 86 GLY H H 86 6.966 6.966 7.017 -0.051 18166 9870 1 16 . 1 1 87 87 TYR N N 87 115.851 115.851 121.162 -5.311 18166 9871 1 16 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.300 -0.360 18166 9872 1 16 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.761 -0.564 18166 9873 1 16 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.676 0.557 18166 9874 1 16 . 1 1 87 87 TYR H H 87 6.814 6.814 7.763 -0.949 18166 9875 1 16 . 1 1 88 88 THR N N 88 109.840 109.840 115.300 -5.460 18166 9876 1 16 . 1 1 88 88 THR HA H 88 4.328 4.328 3.980 0.348 18166 9877 1 16 . 1 1 88 88 THR CA C 88 66.353 66.353 66.736 -0.383 18166 9878 1 16 . 1 1 88 88 THR CB C 88 66.371 66.371 68.491 -2.120 18166 9879 1 16 . 1 1 88 88 THR H H 88 8.318 8.318 7.626 0.692 18166 9880 1 16 . 1 1 89 89 ARG N N 89 121.855 121.855 120.839 1.016 18166 9881 1 16 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.210 -0.133 18166 9882 1 16 . 1 1 89 89 ARG CA C 89 59.029 59.029 58.183 0.846 18166 9883 1 16 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.546 -0.273 18166 9884 1 16 . 1 1 89 89 ARG H H 89 8.320 8.320 7.479 0.841 18166 9885 1 16 . 1 1 90 90 LYS N N 90 124.436 124.436 120.583 3.853 18166 9886 1 16 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.108 -0.179 18166 9887 1 16 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.792 1.070 18166 9888 1 16 . 1 1 90 90 LYS H H 90 7.379 7.379 7.997 -0.618 18166 9889 1 16 . 1 1 91 91 ALA N N 91 121.179 121.179 120.382 0.797 18166 9890 1 16 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.063 -0.571 18166 9891 1 16 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.213 -0.160 18166 9892 1 16 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.328 -2.883 18166 9893 1 16 . 1 1 91 91 ALA H H 91 8.460 8.460 8.130 0.330 18166 9894 1 16 . 1 1 92 92 ALA N N 92 118.165 118.165 121.240 -3.075 18166 9895 1 16 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.026 0.098 18166 9896 1 16 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.907 -0.040 18166 9897 1 16 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.614 -0.594 18166 9898 1 16 . 1 1 92 92 ALA H H 92 7.871 7.871 7.606 0.265 18166 9899 1 16 . 1 1 93 93 ALA N N 93 123.065 123.065 121.433 1.632 18166 9900 1 16 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.419 -0.429 18166 9901 1 16 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.794 0.543 18166 9902 1 16 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.623 -2.002 18166 9903 1 16 . 1 1 93 93 ALA H H 93 7.649 7.649 7.806 -0.157 18166 9904 1 16 . 1 1 94 94 LEU N N 94 117.762 117.762 119.825 -2.063 18166 9905 1 16 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.861 0.255 18166 9906 1 16 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.618 0.032 18166 9907 1 16 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.495 0.306 18166 9908 1 16 . 1 1 94 94 LEU H H 94 7.847 7.847 8.449 -0.602 18166 9909 1 16 . 1 1 95 95 GLU N N 95 121.139 121.139 118.699 2.440 18166 9910 1 16 . 1 1 95 95 GLU HA H 95 3.355 3.355 3.988 -0.633 18166 9911 1 16 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.370 -0.242 18166 9912 1 16 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.777 -0.384 18166 9913 1 16 . 1 1 95 95 GLU H H 95 8.971 8.971 8.348 0.623 18166 9914 1 16 . 1 1 96 96 ALA N N 96 124.630 124.630 118.414 6.216 18166 9915 1 16 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.121 -0.170 18166 9916 1 16 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.373 1.199 18166 9917 1 16 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.474 -1.115 18166 9918 1 16 . 1 1 96 96 ALA H H 96 7.890 7.890 7.550 0.340 18166 9919 1 16 . 1 1 97 97 MET N N 97 115.484 115.484 116.652 -1.168 18166 9920 1 16 . 1 1 97 97 MET HA H 97 3.714 3.714 4.472 -0.758 18166 9921 1 16 . 1 1 97 97 MET CA C 97 56.071 56.071 53.816 2.255 18166 9922 1 16 . 1 1 97 97 MET CB C 97 33.654 33.654 32.781 0.873 18166 9923 1 16 . 1 1 97 97 MET H H 97 7.155 7.155 7.406 -0.251 18166 9924 1 16 . 1 1 98 98 LYS N N 98 112.882 112.882 114.863 -1.981 18166 9925 1 16 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.062 -0.332 18166 9926 1 16 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.397 -0.645 18166 9927 1 16 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.187 -1.067 18166 9928 1 16 . 1 1 98 98 LYS H H 98 7.597 7.597 7.656 -0.059 18166 9929 1 16 . 1 1 99 99 ASP N N 99 120.642 120.642 120.124 0.518 18166 9930 1 16 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.690 0.147 18166 9931 1 16 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.597 -2.835 18166 9932 1 16 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.301 -1.622 18166 9933 1 16 . 1 1 99 99 ASP H H 99 7.888 7.888 7.973 -0.085 18166 9934 1 16 . 1 1 100 100 TYR N N 100 117.948 117.948 118.881 -0.933 18166 9935 1 16 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.117 -0.172 18166 9936 1 16 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.774 1.160 18166 9937 1 16 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.248 0.391 18166 9938 1 16 . 1 1 100 100 TYR H H 100 6.984 6.984 6.989 -0.005 18166 9939 1 16 . 1 1 101 101 THR N N 101 113.752 113.752 109.968 3.784 18166 9940 1 16 . 1 1 101 101 THR HA H 101 4.008 4.008 4.077 -0.069 18166 9941 1 16 . 1 1 101 101 THR CA C 101 65.857 65.857 65.283 0.574 18166 9942 1 16 . 1 1 101 101 THR CB C 101 67.689 67.689 68.398 -0.709 18166 9943 1 16 . 1 1 101 101 THR H H 101 8.543 8.543 8.350 0.193 18166 9944 1 16 . 1 1 102 102 LYS N N 102 120.641 120.641 120.633 0.008 18166 9945 1 16 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.235 -0.093 18166 9946 1 16 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.863 1.223 18166 9947 1 16 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.755 0.424 18166 9948 1 16 . 1 1 102 102 LYS H H 102 7.348 7.348 7.688 -0.340 18166 9949 1 16 . 1 1 103 103 ALA N N 103 120.302 120.302 123.030 -2.728 18166 9950 1 16 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.059 -0.394 18166 9951 1 16 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.348 0.308 18166 9952 1 16 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.542 0.347 18166 9953 1 16 . 1 1 103 103 ALA H H 103 8.344 8.344 8.309 0.035 18166 9954 1 16 . 1 1 104 104 MET N N 104 116.430 116.430 114.016 2.414 18166 9955 1 16 . 1 1 104 104 MET HA H 104 3.939 3.939 4.347 -0.408 18166 9956 1 16 . 1 1 104 104 MET CA C 104 61.020 61.020 59.044 1.976 18166 9957 1 16 . 1 1 104 104 MET CB C 104 33.904 33.904 32.502 1.402 18166 9958 1 16 . 1 1 104 104 MET H H 104 8.375 8.375 8.375 -0.000 18166 9959 1 16 . 1 1 105 105 ASP N N 105 117.449 117.449 120.966 -3.517 18166 9960 1 16 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.661 -0.151 18166 9961 1 16 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.824 -0.711 18166 9962 1 16 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.741 -0.532 18166 9963 1 16 . 1 1 105 105 ASP H H 105 7.319 7.319 8.029 -0.710 18166 9964 1 16 . 1 1 106 106 VAL N N 106 121.168 121.168 120.588 0.580 18166 9965 1 16 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.963 -0.213 18166 9966 1 16 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.713 0.267 18166 9967 1 16 . 1 1 106 106 VAL CB C 106 30.761 30.761 32.076 -1.315 18166 9968 1 16 . 1 1 106 106 VAL H H 106 7.825 7.825 7.310 0.515 18166 9969 1 16 . 1 1 107 107 TYR N N 107 120.714 120.714 120.215 0.499 18166 9970 1 16 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.085 0.186 18166 9971 1 16 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.408 1.044 18166 9972 1 16 . 1 1 107 107 TYR CB C 107 38.154 38.154 38.105 0.049 18166 9973 1 16 . 1 1 107 107 TYR H H 107 9.215 9.215 8.801 0.414 18166 9974 1 16 . 1 1 108 108 GLN N N 108 117.293 117.293 119.048 -1.755 18166 9975 1 16 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.362 0.471 18166 9976 1 16 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.530 0.172 18166 9977 1 16 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.158 0.087 18166 9978 1 16 . 1 1 108 108 GLN H H 108 8.605 8.605 7.633 0.972 18166 9979 1 16 . 1 1 109 109 LYS N N 109 120.342 120.342 118.543 1.799 18166 9980 1 16 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.971 0.031 18166 9981 1 16 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.316 0.221 18166 9982 1 16 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.006 -0.984 18166 9983 1 16 . 1 1 109 109 LYS H H 109 7.571 7.571 7.930 -0.359 18166 9984 1 16 . 1 1 110 110 ALA N N 110 119.851 119.851 122.574 -2.723 18166 9985 1 16 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.759 0.020 18166 9986 1 16 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.880 0.172 18166 9987 1 16 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.094 -0.406 18166 9988 1 16 . 1 1 110 110 ALA H H 110 7.693 7.693 7.762 -0.069 18166 9989 1 16 . 1 1 111 111 LEU N N 111 117.859 117.859 117.737 0.122 18166 9990 1 16 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.272 -0.195 18166 9991 1 16 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.906 -0.695 18166 9992 1 16 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.685 0.124 18166 9993 1 16 . 1 1 111 111 LEU H H 111 7.811 7.811 7.823 -0.012 18166 9994 1 16 . 1 1 112 112 ASP N N 112 118.421 118.421 118.606 -0.185 18166 9995 1 16 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.392 -0.141 18166 9996 1 16 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.358 -0.597 18166 9997 1 16 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.150 -1.955 18166 9998 1 16 . 1 1 112 112 ASP H H 112 8.099 8.099 7.651 0.448 18166 9999 1 16 . 1 1 113 113 LEU N N 113 120.299 120.299 117.373 2.926 18166 10000 1 16 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.204 -0.047 18166 10001 1 16 . 1 1 113 113 LEU CA C 113 56.534 56.534 55.796 0.738 18166 10002 1 16 . 1 1 113 113 LEU CB C 113 42.479 42.479 43.091 -0.612 18166 10003 1 16 . 1 1 113 113 LEU H H 113 7.319 7.319 7.364 -0.045 18166 10004 1 16 . 1 1 114 114 ASP N N 114 118.196 118.196 117.233 0.963 18166 10005 1 16 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.693 -0.055 18166 10006 1 16 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.488 -0.300 18166 10007 1 16 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.091 -1.824 18166 10008 1 16 . 1 1 114 114 ASP H H 114 8.190 8.190 7.768 0.422 18166 10009 1 16 . 1 1 115 115 SER N N 115 121.421 121.421 121.768 -0.347 18166 10010 1 16 . 1 1 115 115 SER HA H 115 4.272 4.272 4.114 0.158 18166 10011 1 16 . 1 1 115 115 SER CA C 115 60.133 60.133 61.052 -0.919 18166 10012 1 16 . 1 1 115 115 SER CB C 115 62.791 62.791 63.002 -0.211 18166 10013 1 16 . 1 1 115 115 SER H H 115 8.775 8.775 8.744 0.031 18166 10014 1 16 . 1 1 116 116 SER N N 116 116.860 116.860 117.302 -0.442 18166 10015 1 16 . 1 1 116 116 SER HA H 116 4.481 4.481 4.354 0.127 18166 10016 1 16 . 1 1 116 116 SER CA C 116 57.961 57.961 59.205 -1.244 18166 10017 1 16 . 1 1 116 116 SER CB C 116 63.960 63.960 62.558 1.402 18166 10018 1 16 . 1 1 116 116 SER H H 116 8.404 8.404 7.878 0.526 18166 10019 1 16 . 1 1 117 117 CYS N N 117 121.814 121.814 121.282 0.532 18166 10020 1 16 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.428 -0.117 18166 10021 1 16 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.325 0.647 18166 10022 1 16 . 1 1 117 117 CYS CB C 117 25.866 25.866 25.730 0.136 18166 10023 1 16 . 1 1 117 117 CYS H H 117 7.401 7.401 7.737 -0.336 18166 10024 1 16 . 1 1 118 118 LYS N N 118 105.939 105.939 121.278 -15.339 18166 10025 1 16 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.933 0.039 18166 10026 1 16 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.169 -0.301 18166 10027 1 16 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.424 0.932 18166 10028 1 16 . 1 1 118 118 LYS H H 118 8.647 8.647 8.029 0.618 18166 10029 1 16 . 1 1 119 119 GLU N N 119 117.724 117.724 117.906 -0.182 18166 10030 1 16 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.052 0.079 18166 10031 1 16 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.055 -0.055 18166 10032 1 16 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.981 0.491 18166 10033 1 16 . 1 1 119 119 GLU H H 119 8.998 8.998 8.087 0.911 18166 10034 1 16 . 1 1 120 120 ALA N N 120 120.855 120.855 121.364 -0.509 18166 10035 1 16 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.222 0.146 18166 10036 1 16 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.103 -0.797 18166 10037 1 16 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.805 -0.692 18166 10038 1 16 . 1 1 120 120 ALA H H 120 7.494 7.494 8.092 -0.598 18166 10039 1 16 . 1 1 121 121 ALA N N 121 123.265 123.265 121.862 1.403 18166 10040 1 16 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.134 -0.139 18166 10041 1 16 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.007 -0.215 18166 10042 1 16 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.436 -0.632 18166 10043 1 16 . 1 1 121 121 ALA H H 121 7.914 7.914 7.299 0.615 18166 10044 1 16 . 1 1 122 122 ASP N N 122 118.732 118.732 118.570 0.162 18166 10045 1 16 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.377 -0.106 18166 10046 1 16 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.597 -1.355 18166 10047 1 16 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.877 -1.762 18166 10048 1 16 . 1 1 122 122 ASP H H 122 8.964 8.964 8.050 0.914 18166 10049 1 16 . 1 1 123 123 GLY N N 123 108.568 108.568 106.915 1.653 18166 10050 1 16 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.648 -0.034 18166 10051 1 16 . 1 1 123 123 GLY H H 123 7.572 7.572 7.695 -0.123 18166 10052 1 16 . 1 1 124 124 TYR N N 124 122.944 122.944 123.137 -0.193 18166 10053 1 16 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.876 -0.262 18166 10054 1 16 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.443 2.741 18166 10055 1 16 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.716 0.181 18166 10056 1 16 . 1 1 124 124 TYR H H 124 8.162 8.162 7.838 0.324 18166 10057 1 16 . 1 1 125 125 GLN N N 125 115.988 115.988 116.301 -0.313 18166 10058 1 16 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.605 0.270 18166 10059 1 16 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.882 -0.262 18166 10060 1 16 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.736 0.401 18166 10061 1 16 . 1 1 125 125 GLN H H 125 7.510 7.510 7.973 -0.463 18166 10062 1 16 . 1 1 126 126 ARG N N 126 118.626 118.626 119.208 -0.582 18166 10063 1 16 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.042 -0.108 18166 10064 1 16 . 1 1 126 126 ARG CA C 126 59.817 59.817 59.022 0.795 18166 10065 1 16 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.144 0.948 18166 10066 1 16 . 1 1 126 126 ARG H H 126 8.139 8.139 7.568 0.571 18166 10067 1 16 . 1 1 127 127 CYS N N 127 116.985 116.985 117.776 -0.791 18166 10068 1 16 . 1 1 127 127 CYS HA H 127 3.889 3.889 3.954 -0.065 18166 10069 1 16 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.314 1.649 18166 10070 1 16 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.070 0.696 18166 10071 1 16 . 1 1 127 127 CYS H H 127 8.097 8.097 7.308 0.789 18166 10072 1 16 . 1 1 128 128 MET N N 128 120.493 120.493 118.508 1.985 18166 10073 1 16 . 1 1 128 128 MET HA H 128 3.989 3.989 3.812 0.177 18166 10074 1 16 . 1 1 128 128 MET CA C 128 58.420 58.420 58.594 -0.175 18166 10075 1 16 . 1 1 128 128 MET CB C 128 31.539 31.539 31.629 -0.090 18166 10076 1 16 . 1 1 128 128 MET H H 128 8.163 8.163 7.835 0.328 18166 10077 1 16 . 1 1 129 129 MET N N 129 115.583 115.583 117.580 -1.997 18166 10078 1 16 . 1 1 129 129 MET HA H 129 4.211 4.211 4.268 -0.057 18166 10079 1 16 . 1 1 129 129 MET CA C 129 56.677 56.677 57.599 -0.922 18166 10080 1 16 . 1 1 129 129 MET CB C 129 31.951 31.951 32.151 -0.200 18166 10081 1 16 . 1 1 129 129 MET H H 129 7.723 7.723 7.337 0.386 18166 10082 1 16 . 1 1 130 130 ALA N N 130 121.061 121.061 121.927 -0.866 18166 10083 1 16 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.779 0.129 18166 10084 1 16 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.579 -1.499 18166 10085 1 16 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.595 -1.091 18166 10086 1 16 . 1 1 130 130 ALA H H 130 7.458 7.458 7.608 -0.150 18166 10087 1 16 . 1 1 131 131 GLN N N 131 114.560 114.560 115.987 -1.427 18166 10088 1 16 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.127 -0.121 18166 10089 1 16 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.733 -0.930 18166 10090 1 16 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.734 0.371 18166 10091 1 16 . 1 1 131 131 GLN H H 131 7.214 7.214 7.563 -0.349 18166 10092 1 16 . 1 1 132 132 TYR N N 132 117.856 117.856 117.057 0.799 18166 10093 1 16 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.660 -0.018 18166 10094 1 16 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.955 1.603 18166 10095 1 16 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.863 1.449 18166 10096 1 16 . 1 1 132 132 TYR H H 132 7.545 7.545 7.222 0.323 18166 10097 1 17 . 1 1 2 2 GLY N N 2 109.986 109.986 110.959 -0.973 18166 10098 1 17 . 1 1 2 2 GLY CA C 2 44.810 44.810 44.916 -0.106 18166 10099 1 17 . 1 1 2 2 GLY H H 2 8.520 8.520 8.253 0.267 18166 10100 1 17 . 1 1 3 3 HIS N N 3 117.442 117.442 119.665 -2.223 18166 10101 1 17 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.911 -0.291 18166 10102 1 17 . 1 1 3 3 HIS CB C 3 28.428 28.428 32.171 -3.743 18166 10103 1 17 . 1 1 3 3 HIS H H 3 8.406 8.406 8.535 -0.129 18166 10104 1 17 . 1 1 4 4 HIS N N 4 118.932 118.932 122.595 -3.663 18166 10105 1 17 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.620 0.008 18166 10106 1 17 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.293 -1.386 18166 10107 1 17 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.627 -2.429 18166 10108 1 17 . 1 1 4 4 HIS H H 4 8.552 8.552 8.870 -0.318 18166 10109 1 17 . 1 1 5 5 HIS N N 5 119.580 119.580 118.910 0.670 18166 10110 1 17 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.104 0.544 18166 10111 1 17 . 1 1 5 5 HIS CA C 5 55.133 55.133 56.647 -1.514 18166 10112 1 17 . 1 1 5 5 HIS CB C 5 28.761 28.761 27.977 0.784 18166 10113 1 17 . 1 1 5 5 HIS H H 5 8.615 8.615 8.573 0.042 18166 10114 1 17 . 1 1 6 6 HIS N N 6 121.369 121.369 120.676 0.693 18166 10115 1 17 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.751 -0.103 18166 10116 1 17 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.509 -0.560 18166 10117 1 17 . 1 1 6 6 HIS CB C 6 29.100 29.100 31.297 -2.197 18166 10118 1 17 . 1 1 6 6 HIS H H 6 8.732 8.732 7.370 1.362 18166 10119 1 17 . 1 1 7 7 HIS N N 7 120.276 120.276 118.731 1.545 18166 10120 1 17 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.563 0.079 18166 10121 1 17 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.065 -0.917 18166 10122 1 17 . 1 1 7 7 HIS CB C 7 28.825 28.825 27.779 1.046 18166 10123 1 17 . 1 1 7 7 HIS H H 7 8.708 8.708 8.286 0.422 18166 10124 1 17 . 1 1 8 8 HIS N N 8 120.007 120.007 117.584 2.423 18166 10125 1 17 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.609 0.087 18166 10126 1 17 . 1 1 8 8 HIS CA C 8 54.861 54.861 54.998 -0.137 18166 10127 1 17 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.239 -1.543 18166 10128 1 17 . 1 1 8 8 HIS H H 8 8.708 8.708 7.770 0.938 18166 10129 1 17 . 1 1 9 9 SER N N 9 117.977 117.977 116.780 1.197 18166 10130 1 17 . 1 1 9 9 SER HA H 9 4.404 4.404 4.402 0.002 18166 10131 1 17 . 1 1 9 9 SER CA C 9 57.718 57.718 59.184 -1.466 18166 10132 1 17 . 1 1 9 9 SER CB C 9 63.246 63.246 62.984 0.262 18166 10133 1 17 . 1 1 9 9 SER H H 9 8.535 8.535 8.098 0.437 18166 10134 1 17 . 1 1 10 10 HIS N N 10 120.441 120.441 125.518 -5.077 18166 10135 1 17 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.543 0.152 18166 10136 1 17 . 1 1 10 10 HIS H H 10 8.744 8.744 8.626 0.118 18166 10137 1 17 . 1 1 11 11 MET N N 11 122.004 122.004 118.633 3.371 18166 10138 1 17 . 1 1 11 11 MET HA H 11 4.427 4.427 4.244 0.183 18166 10139 1 17 . 1 1 11 11 MET CA C 11 54.665 54.665 57.067 -2.402 18166 10140 1 17 . 1 1 11 11 MET CB C 11 32.913 32.913 32.014 0.899 18166 10141 1 17 . 1 1 11 11 MET H H 11 8.443 8.443 8.524 -0.081 18166 10142 1 17 . 1 1 12 12 ASN N N 12 121.852 121.852 116.534 5.318 18166 10143 1 17 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.057 -0.120 18166 10144 1 17 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.005 0.375 18166 10145 1 17 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.761 -0.449 18166 10146 1 17 . 1 1 12 12 ASN H H 12 8.631 8.631 8.206 0.425 18166 10147 1 17 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.314 0.046 18166 10148 1 17 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.345 -1.196 18166 10149 1 17 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.282 -0.530 18166 10150 1 17 . 1 1 14 14 ASP N N 14 119.643 119.643 116.268 3.375 18166 10151 1 17 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.663 -0.120 18166 10152 1 17 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.876 0.152 18166 10153 1 17 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.639 -1.877 18166 10154 1 17 . 1 1 14 14 ASP H H 14 8.344 8.344 7.750 0.594 18166 10155 1 17 . 1 1 15 15 LEU N N 15 123.333 123.333 126.051 -2.718 18166 10156 1 17 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.106 0.043 18166 10157 1 17 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.739 -1.296 18166 10158 1 17 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.959 -0.584 18166 10159 1 17 . 1 1 15 15 LEU H H 15 8.119 8.119 8.712 -0.593 18166 10160 1 17 . 1 1 16 16 ALA N N 16 121.879 121.879 119.796 2.083 18166 10161 1 17 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.106 0.008 18166 10162 1 17 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.268 -0.898 18166 10163 1 17 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.832 -0.784 18166 10164 1 17 . 1 1 16 16 ALA H H 16 8.212 8.212 7.870 0.342 18166 10165 1 17 . 1 1 17 17 LEU N N 17 118.990 118.990 115.508 3.482 18166 10166 1 17 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.384 -0.245 18166 10167 1 17 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.096 -0.987 18166 10168 1 17 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.030 -0.654 18166 10169 1 17 . 1 1 17 17 LEU H H 17 7.719 7.719 7.505 0.214 18166 10170 1 17 . 1 1 18 18 MET N N 18 118.534 118.534 118.458 0.076 18166 10171 1 17 . 1 1 18 18 MET HA H 18 4.274 4.274 4.326 -0.052 18166 10172 1 17 . 1 1 18 18 MET CA C 18 56.497 56.497 56.931 -0.434 18166 10173 1 17 . 1 1 18 18 MET CB C 18 31.787 31.787 31.325 0.463 18166 10174 1 17 . 1 1 18 18 MET H H 18 7.996 7.996 7.621 0.375 18166 10175 1 17 . 1 1 19 19 VAL N N 19 119.243 119.243 119.153 0.090 18166 10176 1 17 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.762 0.071 18166 10177 1 17 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.384 -1.650 18166 10178 1 17 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.576 0.080 18166 10179 1 17 . 1 1 19 19 VAL H H 19 7.915 7.915 7.578 0.337 18166 10180 1 17 . 1 1 20 20 LYS N N 20 123.321 123.321 118.609 4.712 18166 10181 1 17 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.049 -0.072 18166 10182 1 17 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.622 -1.279 18166 10183 1 17 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.567 0.429 18166 10184 1 17 . 1 1 20 20 LYS H H 20 8.139 8.139 7.659 0.480 18166 10185 1 17 . 1 1 21 21 ASN N N 21 118.732 118.732 118.809 -0.077 18166 10186 1 17 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.445 0.133 18166 10187 1 17 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.376 -2.136 18166 10188 1 17 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.230 -0.491 18166 10189 1 17 . 1 1 21 21 ASN H H 21 8.349 8.349 8.088 0.261 18166 10190 1 17 . 1 1 22 22 LYS N N 22 121.941 121.941 120.041 1.900 18166 10191 1 17 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.242 -0.218 18166 10192 1 17 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.419 -0.109 18166 10193 1 17 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.452 0.067 18166 10194 1 17 . 1 1 22 22 LYS H H 22 8.185 8.185 7.419 0.766 18166 10195 1 17 . 1 1 23 23 GLY N N 23 107.792 107.792 107.840 -0.048 18166 10196 1 17 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.688 1.078 18166 10197 1 17 . 1 1 23 23 GLY H H 23 8.336 8.336 8.020 0.316 18166 10198 1 17 . 1 1 24 24 ASN N N 24 120.049 120.049 120.194 -0.145 18166 10199 1 17 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.445 0.139 18166 10200 1 17 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.793 -0.592 18166 10201 1 17 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.907 -1.337 18166 10202 1 17 . 1 1 24 24 ASN H H 24 8.337 8.337 8.079 0.258 18166 10203 1 17 . 1 1 25 25 GLU N N 25 121.510 121.510 121.129 0.381 18166 10204 1 17 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.038 0.009 18166 10205 1 17 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.154 -0.178 18166 10206 1 17 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.230 -0.127 18166 10207 1 17 . 1 1 25 25 GLU H H 25 8.366 8.366 7.848 0.518 18166 10208 1 17 . 1 1 26 26 CYS N N 26 116.512 116.512 117.915 -1.403 18166 10209 1 17 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.024 0.078 18166 10210 1 17 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.423 -0.419 18166 10211 1 17 . 1 1 26 26 CYS CB C 26 26.256 26.256 25.976 0.281 18166 10212 1 17 . 1 1 26 26 CYS H H 26 8.092 8.092 7.975 0.117 18166 10213 1 17 . 1 1 27 27 PHE N N 27 122.066 122.066 120.936 1.130 18166 10214 1 17 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.561 -0.809 18166 10215 1 17 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.803 0.677 18166 10216 1 17 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.727 1.175 18166 10217 1 17 . 1 1 27 27 PHE H H 27 8.756 8.756 7.692 1.064 18166 10218 1 17 . 1 1 28 28 GLN N N 28 119.430 119.430 119.090 0.340 18166 10219 1 17 . 1 1 28 28 GLN HA H 28 4.016 4.016 3.987 0.029 18166 10220 1 17 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.723 0.402 18166 10221 1 17 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.283 -0.073 18166 10222 1 17 . 1 1 28 28 GLN H H 28 8.574 8.574 7.906 0.668 18166 10223 1 17 . 1 1 29 29 LYS N N 29 116.011 116.011 117.597 -1.586 18166 10224 1 17 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.280 -0.036 18166 10225 1 17 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.511 0.586 18166 10226 1 17 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.315 0.221 18166 10227 1 17 . 1 1 29 29 LYS H H 29 7.410 7.410 7.455 -0.045 18166 10228 1 17 . 1 1 30 30 GLY N N 30 107.636 107.636 107.792 -0.156 18166 10229 1 17 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.755 -0.172 18166 10230 1 17 . 1 1 30 30 GLY H H 30 7.566 7.566 7.722 -0.156 18166 10231 1 17 . 1 1 31 31 ASP N N 31 120.587 120.587 122.092 -1.505 18166 10232 1 17 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.886 -0.218 18166 10233 1 17 . 1 1 31 31 ASP CA C 31 51.041 51.041 54.383 -3.342 18166 10234 1 17 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.986 -2.268 18166 10235 1 17 . 1 1 31 31 ASP H H 31 7.826 7.826 7.766 0.060 18166 10236 1 17 . 1 1 32 32 TYR N N 32 120.190 120.190 124.520 -4.330 18166 10237 1 17 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.962 -1.190 18166 10238 1 17 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.163 0.091 18166 10239 1 17 . 1 1 32 32 TYR H H 32 7.313 7.313 8.881 -1.568 18166 10240 1 17 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.433 -0.213 18166 10241 1 17 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.739 0.616 18166 10242 1 17 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.963 -0.676 18166 10243 1 17 . 1 1 34 34 GLN N N 34 115.797 115.797 118.710 -2.913 18166 10244 1 17 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.905 0.020 18166 10245 1 17 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.649 -0.485 18166 10246 1 17 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.426 0.952 18166 10247 1 17 . 1 1 34 34 GLN H H 34 7.278 7.278 8.754 -1.476 18166 10248 1 17 . 1 1 35 35 ALA N N 35 121.852 121.852 121.523 0.329 18166 10249 1 17 . 1 1 35 35 ALA HA H 35 4.072 4.072 4.149 -0.077 18166 10250 1 17 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.705 0.892 18166 10251 1 17 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.107 0.438 18166 10252 1 17 . 1 1 35 35 ALA H H 35 8.376 8.376 8.420 -0.044 18166 10253 1 17 . 1 1 36 36 MET N N 36 116.867 116.867 118.216 -1.349 18166 10254 1 17 . 1 1 36 36 MET HA H 36 3.887 3.887 4.134 -0.247 18166 10255 1 17 . 1 1 36 36 MET CA C 36 59.400 59.400 58.444 0.957 18166 10256 1 17 . 1 1 36 36 MET CB C 36 30.626 30.626 32.127 -1.501 18166 10257 1 17 . 1 1 36 36 MET H H 36 8.538 8.538 7.877 0.661 18166 10258 1 17 . 1 1 37 37 LYS N N 37 122.037 122.037 118.412 3.625 18166 10259 1 17 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.058 -0.146 18166 10260 1 17 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.373 -0.148 18166 10261 1 17 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.035 0.161 18166 10262 1 17 . 1 1 37 37 LYS H H 37 7.599 7.599 7.541 0.058 18166 10263 1 17 . 1 1 38 38 HIS N N 38 117.718 117.718 118.295 -0.577 18166 10264 1 17 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.598 0.037 18166 10265 1 17 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.193 -0.193 18166 10266 1 17 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.874 -1.874 18166 10267 1 17 . 1 1 38 38 HIS H H 38 7.908 7.908 7.856 0.052 18166 10268 1 17 . 1 1 39 39 TYR N N 39 118.987 118.987 118.212 0.775 18166 10269 1 17 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.386 0.079 18166 10270 1 17 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.938 -0.685 18166 10271 1 17 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.935 -1.144 18166 10272 1 17 . 1 1 39 39 TYR H H 39 9.156 9.156 8.129 1.027 18166 10273 1 17 . 1 1 40 40 THR N N 40 117.147 117.147 117.532 -0.385 18166 10274 1 17 . 1 1 40 40 THR HA H 40 3.872 3.872 3.885 -0.013 18166 10275 1 17 . 1 1 40 40 THR CA C 40 67.449 67.449 67.501 -0.052 18166 10276 1 17 . 1 1 40 40 THR CB C 40 68.728 68.728 68.574 0.154 18166 10277 1 17 . 1 1 40 40 THR H H 40 8.476 8.476 7.981 0.495 18166 10278 1 17 . 1 1 41 41 GLU N N 41 122.067 122.067 120.734 1.333 18166 10279 1 17 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.024 -0.045 18166 10280 1 17 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.359 -0.614 18166 10281 1 17 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.137 -0.414 18166 10282 1 17 . 1 1 41 41 GLU H H 41 7.762 7.762 7.926 -0.164 18166 10283 1 17 . 1 1 42 42 ALA N N 42 122.040 122.040 120.982 1.058 18166 10284 1 17 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.176 -0.207 18166 10285 1 17 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.370 0.799 18166 10286 1 17 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.487 -0.117 18166 10287 1 17 . 1 1 42 42 ALA H H 42 8.191 8.191 7.167 1.024 18166 10288 1 17 . 1 1 43 43 ILE N N 43 122.662 122.662 118.541 4.121 18166 10289 1 17 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.824 -0.508 18166 10290 1 17 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.437 1.161 18166 10291 1 17 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.819 0.668 18166 10292 1 17 . 1 1 43 43 ILE H H 43 8.427 8.427 7.836 0.591 18166 10293 1 17 . 1 1 44 44 LYS N N 44 117.349 117.349 118.141 -0.792 18166 10294 1 17 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.111 -0.170 18166 10295 1 17 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.804 0.897 18166 10296 1 17 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.159 -0.168 18166 10297 1 17 . 1 1 44 44 LYS H H 44 7.473 7.473 7.668 -0.195 18166 10298 1 17 . 1 1 45 45 ARG N N 45 114.723 114.723 117.165 -2.442 18166 10299 1 17 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.304 -0.131 18166 10300 1 17 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.385 0.021 18166 10301 1 17 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.119 -0.782 18166 10302 1 17 . 1 1 45 45 ARG H H 45 7.150 7.150 7.587 -0.437 18166 10303 1 17 . 1 1 46 46 ASN N N 46 115.919 115.919 116.091 -0.172 18166 10304 1 17 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.169 -0.096 18166 10305 1 17 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.311 -0.154 18166 10306 1 17 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.623 -0.992 18166 10307 1 17 . 1 1 46 46 ASN H H 46 7.885 7.885 8.211 -0.326 18166 10308 1 17 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.614 0.118 18166 10309 1 17 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.040 0.165 18166 10310 1 17 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.232 -0.278 18166 10311 1 17 . 1 1 48 48 LYS N N 48 118.494 118.494 116.460 2.034 18166 10312 1 17 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.411 0.224 18166 10313 1 17 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.174 -1.174 18166 10314 1 17 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.077 -0.650 18166 10315 1 17 . 1 1 48 48 LYS H H 48 8.154 8.154 8.128 0.026 18166 10316 1 17 . 1 1 49 49 ASP N N 49 119.387 119.387 121.511 -2.124 18166 10317 1 17 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.561 0.129 18166 10318 1 17 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.150 -1.272 18166 10319 1 17 . 1 1 49 49 ASP CB C 49 40.026 40.026 41.340 -1.314 18166 10320 1 17 . 1 1 49 49 ASP H H 49 7.317 7.317 7.451 -0.134 18166 10321 1 17 . 1 1 50 50 ALA N N 50 128.206 128.206 128.898 -0.692 18166 10322 1 17 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.367 -0.326 18166 10323 1 17 . 1 1 50 50 ALA CA C 50 55.564 55.564 54.772 0.792 18166 10324 1 17 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.997 1.093 18166 10325 1 17 . 1 1 50 50 ALA H H 50 8.466 8.466 8.701 -0.235 18166 10326 1 17 . 1 1 51 51 LYS N N 51 113.628 113.628 118.856 -5.228 18166 10327 1 17 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.179 -0.302 18166 10328 1 17 . 1 1 51 51 LYS CA C 51 59.314 59.314 57.953 1.361 18166 10329 1 17 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.378 -0.058 18166 10330 1 17 . 1 1 51 51 LYS H H 51 7.985 7.985 7.704 0.281 18166 10331 1 17 . 1 1 52 52 LEU N N 52 117.207 117.207 120.635 -3.428 18166 10332 1 17 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.843 -0.171 18166 10333 1 17 . 1 1 52 52 LEU CA C 52 57.278 57.278 58.127 -0.849 18166 10334 1 17 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.972 1.120 18166 10335 1 17 . 1 1 52 52 LEU H H 52 7.323 7.323 7.996 -0.673 18166 10336 1 17 . 1 1 53 53 TYR N N 53 116.167 116.167 116.721 -0.554 18166 10337 1 17 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.187 -0.309 18166 10338 1 17 . 1 1 53 53 TYR CA C 53 61.573 61.573 60.873 0.700 18166 10339 1 17 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.803 0.344 18166 10340 1 17 . 1 1 53 53 TYR H H 53 6.955 6.955 7.394 -0.439 18166 10341 1 17 . 1 1 54 54 SER N N 54 112.799 112.799 114.726 -1.927 18166 10342 1 17 . 1 1 54 54 SER HA H 54 3.976 3.976 4.241 -0.265 18166 10343 1 17 . 1 1 54 54 SER CA C 54 61.200 61.200 61.316 -0.116 18166 10344 1 17 . 1 1 54 54 SER CB C 54 62.184 62.184 62.537 -0.353 18166 10345 1 17 . 1 1 54 54 SER H H 54 7.661 7.661 8.309 -0.648 18166 10346 1 17 . 1 1 55 55 ASN N N 55 119.126 119.126 120.312 -1.186 18166 10347 1 17 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.440 -0.341 18166 10348 1 17 . 1 1 55 55 ASN CA C 55 55.241 55.241 54.928 0.313 18166 10349 1 17 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.857 -1.580 18166 10350 1 17 . 1 1 55 55 ASN H H 55 7.729 7.729 7.628 0.101 18166 10351 1 17 . 1 1 56 56 ARG N N 56 122.589 122.589 120.726 1.863 18166 10352 1 17 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.583 0.550 18166 10353 1 17 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.297 3.263 18166 10354 1 17 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.294 -0.226 18166 10355 1 17 . 1 1 56 56 ARG H H 56 8.329 8.329 7.342 0.987 18166 10356 1 17 . 1 1 57 57 ALA N N 57 122.569 122.569 120.549 2.020 18166 10357 1 17 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.107 0.153 18166 10358 1 17 . 1 1 57 57 ALA CA C 57 56.075 56.075 55.080 0.995 18166 10359 1 17 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.282 1.607 18166 10360 1 17 . 1 1 57 57 ALA H H 57 8.857 8.857 8.303 0.554 18166 10361 1 17 . 1 1 58 58 ALA N N 58 120.015 120.015 119.112 0.903 18166 10362 1 17 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.017 0.066 18166 10363 1 17 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.444 0.606 18166 10364 1 17 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.070 -0.246 18166 10365 1 17 . 1 1 58 58 ALA H H 58 7.574 7.574 7.659 -0.085 18166 10366 1 17 . 1 1 59 59 CYS N N 59 117.074 117.074 118.002 -0.928 18166 10367 1 17 . 1 1 59 59 CYS HA H 59 4.062 4.062 3.975 0.087 18166 10368 1 17 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.081 2.164 18166 10369 1 17 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.828 -0.001 18166 10370 1 17 . 1 1 59 59 CYS H H 59 7.523 7.523 7.258 0.265 18166 10371 1 17 . 1 1 60 60 TYR N N 60 118.554 118.554 119.273 -0.719 18166 10372 1 17 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.098 0.189 18166 10373 1 17 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.374 0.530 18166 10374 1 17 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.356 0.921 18166 10375 1 17 . 1 1 60 60 TYR H H 60 8.684 8.684 8.180 0.504 18166 10376 1 17 . 1 1 61 61 THR N N 61 116.951 116.951 112.487 4.464 18166 10377 1 17 . 1 1 61 61 THR HA H 61 4.264 4.264 2.980 1.284 18166 10378 1 17 . 1 1 61 61 THR CA C 61 67.645 67.645 65.528 2.117 18166 10379 1 17 . 1 1 61 61 THR CB C 61 67.784 67.784 67.980 -0.196 18166 10380 1 17 . 1 1 61 61 THR H H 61 8.572 8.572 7.621 0.951 18166 10381 1 17 . 1 1 62 62 LYS N N 62 122.578 122.578 120.767 1.811 18166 10382 1 17 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.258 -0.334 18166 10383 1 17 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.315 -1.109 18166 10384 1 17 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.203 -1.409 18166 10385 1 17 . 1 1 62 62 LYS H H 62 7.410 7.410 7.543 -0.133 18166 10386 1 17 . 1 1 63 63 LEU N N 63 117.404 117.404 118.784 -1.380 18166 10387 1 17 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.370 -0.154 18166 10388 1 17 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.144 -1.099 18166 10389 1 17 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.472 -0.829 18166 10390 1 17 . 1 1 63 63 LEU H H 63 7.397 7.397 7.559 -0.162 18166 10391 1 17 . 1 1 64 64 LEU N N 64 113.668 113.668 115.063 -1.395 18166 10392 1 17 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.318 -1.348 18166 10393 1 17 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.275 -1.457 18166 10394 1 17 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.210 -1.959 18166 10395 1 17 . 1 1 64 64 LEU H H 64 7.457 7.457 7.665 -0.208 18166 10396 1 17 . 1 1 65 65 GLU N N 65 120.636 120.636 120.188 0.448 18166 10397 1 17 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.482 -0.079 18166 10398 1 17 . 1 1 65 65 GLU CA C 65 53.230 53.230 55.045 -1.815 18166 10399 1 17 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.342 -0.252 18166 10400 1 17 . 1 1 65 65 GLU H H 65 8.085 8.085 8.250 -0.165 18166 10401 1 17 . 1 1 66 66 PHE N N 66 118.292 118.292 120.544 -2.252 18166 10402 1 17 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.118 -0.092 18166 10403 1 17 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.200 -1.211 18166 10404 1 17 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.764 -0.480 18166 10405 1 17 . 1 1 66 66 PHE H H 66 6.812 6.812 7.922 -1.110 18166 10406 1 17 . 1 1 67 67 GLN N N 67 117.166 117.166 117.675 -0.509 18166 10407 1 17 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.059 -0.076 18166 10408 1 17 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.754 -0.076 18166 10409 1 17 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.818 -0.974 18166 10410 1 17 . 1 1 67 67 GLN H H 67 8.589 8.589 8.614 -0.025 18166 10411 1 17 . 1 1 68 68 LEU N N 68 119.871 119.871 119.747 0.124 18166 10412 1 17 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.860 -0.094 18166 10413 1 17 . 1 1 68 68 LEU CA C 68 57.475 57.475 57.045 0.430 18166 10414 1 17 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.640 -2.620 18166 10415 1 17 . 1 1 68 68 LEU H H 68 7.422 7.422 7.894 -0.472 18166 10416 1 17 . 1 1 69 69 ALA N N 69 121.380 121.380 121.673 -0.293 18166 10417 1 17 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.210 -0.077 18166 10418 1 17 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.019 0.809 18166 10419 1 17 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.481 0.026 18166 10420 1 17 . 1 1 69 69 ALA H H 69 7.871 7.871 7.785 0.086 18166 10421 1 17 . 1 1 70 70 LEU N N 70 118.569 118.569 119.473 -0.904 18166 10422 1 17 . 1 1 70 70 LEU HA H 70 3.814 3.814 4.049 -0.235 18166 10423 1 17 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.467 1.112 18166 10424 1 17 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.984 -1.058 18166 10425 1 17 . 1 1 70 70 LEU H H 70 8.519 8.519 8.100 0.419 18166 10426 1 17 . 1 1 71 71 LYS N N 71 119.700 119.700 118.194 1.506 18166 10427 1 17 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.876 0.101 18166 10428 1 17 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.411 -0.216 18166 10429 1 17 . 1 1 71 71 LYS H H 71 7.619 7.619 7.711 -0.092 18166 10430 1 17 . 1 1 72 72 ASP N N 72 121.506 121.506 120.130 1.376 18166 10431 1 17 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.447 0.167 18166 10432 1 17 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.753 -0.460 18166 10433 1 17 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.343 -1.361 18166 10434 1 17 . 1 1 72 72 ASP H H 72 7.460 7.460 8.417 -0.957 18166 10435 1 17 . 1 1 73 73 CYS N N 73 118.302 118.302 116.686 1.616 18166 10436 1 17 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.190 -0.356 18166 10437 1 17 . 1 1 73 73 CYS CA C 73 64.687 64.687 60.652 4.035 18166 10438 1 17 . 1 1 73 73 CYS CB C 73 26.546 26.546 26.962 -0.416 18166 10439 1 17 . 1 1 73 73 CYS H H 73 8.366 8.366 7.699 0.667 18166 10440 1 17 . 1 1 74 74 GLU N N 74 117.660 117.660 121.316 -3.656 18166 10441 1 17 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.125 -0.224 18166 10442 1 17 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.611 -0.398 18166 10443 1 17 . 1 1 74 74 GLU CB C 74 28.016 28.016 28.985 -0.969 18166 10444 1 17 . 1 1 74 74 GLU H H 74 8.244 8.244 8.113 0.131 18166 10445 1 17 . 1 1 75 75 GLU N N 75 119.807 119.807 117.836 1.971 18166 10446 1 17 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.139 -0.246 18166 10447 1 17 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.569 0.580 18166 10448 1 17 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.590 -2.916 18166 10449 1 17 . 1 1 75 75 GLU H H 75 7.394 7.394 7.928 -0.534 18166 10450 1 17 . 1 1 76 76 CYS N N 76 118.342 118.342 118.602 -0.260 18166 10451 1 17 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.679 0.162 18166 10452 1 17 . 1 1 76 76 CYS CA C 76 64.303 64.303 63.210 1.093 18166 10453 1 17 . 1 1 76 76 CYS CB C 76 26.371 26.371 27.524 -1.153 18166 10454 1 17 . 1 1 76 76 CYS H H 76 7.852 7.852 7.820 0.032 18166 10455 1 17 . 1 1 77 77 ILE N N 77 117.728 117.728 119.255 -1.527 18166 10456 1 17 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.085 -0.605 18166 10457 1 17 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.603 0.606 18166 10458 1 17 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.951 0.598 18166 10459 1 17 . 1 1 77 77 ILE H H 77 7.897 7.897 7.489 0.408 18166 10460 1 17 . 1 1 78 78 GLN N N 78 117.037 117.037 118.050 -1.013 18166 10461 1 17 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.084 -0.179 18166 10462 1 17 . 1 1 78 78 GLN CA C 78 58.214 58.214 58.033 0.181 18166 10463 1 17 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.676 -0.326 18166 10464 1 17 . 1 1 78 78 GLN H H 78 7.655 7.655 7.526 0.129 18166 10465 1 17 . 1 1 79 79 LEU N N 79 118.180 118.180 117.788 0.392 18166 10466 1 17 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.204 -0.109 18166 10467 1 17 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.211 0.304 18166 10468 1 17 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.860 1.184 18166 10469 1 17 . 1 1 79 79 LEU H H 79 8.021 8.021 7.300 0.721 18166 10470 1 17 . 1 1 80 80 GLU N N 80 117.250 117.250 116.965 0.285 18166 10471 1 17 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.780 0.056 18166 10472 1 17 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.094 0.447 18166 10473 1 17 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.895 -0.116 18166 10474 1 17 . 1 1 80 80 GLU H H 80 8.403 8.403 7.796 0.607 18166 10475 1 17 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.726 0.140 18166 10476 1 17 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.549 0.196 18166 10477 1 17 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.563 -0.811 18166 10478 1 17 . 1 1 82 82 THR N N 82 107.443 107.443 110.082 -2.639 18166 10479 1 17 . 1 1 82 82 THR HA H 82 4.607 4.607 4.416 0.191 18166 10480 1 17 . 1 1 82 82 THR CA C 82 61.139 61.139 60.226 0.913 18166 10481 1 17 . 1 1 82 82 THR CB C 82 68.785 68.785 68.637 0.148 18166 10482 1 17 . 1 1 82 82 THR H H 82 8.129 8.129 7.580 0.549 18166 10483 1 17 . 1 1 83 83 PHE N N 83 123.490 123.490 121.521 1.969 18166 10484 1 17 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.387 0.743 18166 10485 1 17 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.986 -1.274 18166 10486 1 17 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.604 -0.341 18166 10487 1 17 . 1 1 83 83 PHE H H 83 8.022 8.022 7.645 0.377 18166 10488 1 17 . 1 1 84 84 ILE N N 84 131.837 131.837 122.917 8.920 18166 10489 1 17 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.501 0.449 18166 10490 1 17 . 1 1 84 84 ILE CA C 84 64.230 64.230 63.441 0.789 18166 10491 1 17 . 1 1 84 84 ILE CB C 84 37.969 37.969 38.297 -0.328 18166 10492 1 17 . 1 1 84 84 ILE H H 84 8.955 8.955 8.032 0.923 18166 10493 1 17 . 1 1 85 85 LYS N N 85 115.465 115.465 120.437 -4.972 18166 10494 1 17 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.128 0.330 18166 10495 1 17 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.679 -2.343 18166 10496 1 17 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.495 -0.014 18166 10497 1 17 . 1 1 85 85 LYS H H 85 6.000 6.000 8.202 -2.202 18166 10498 1 17 . 1 1 86 86 GLY N N 86 103.958 103.958 107.111 -3.153 18166 10499 1 17 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.833 1.328 18166 10500 1 17 . 1 1 86 86 GLY H H 86 6.966 6.966 8.641 -1.675 18166 10501 1 17 . 1 1 87 87 TYR N N 87 115.851 115.851 120.975 -5.124 18166 10502 1 17 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.286 -0.346 18166 10503 1 17 . 1 1 87 87 TYR CA C 87 60.197 60.197 58.639 1.558 18166 10504 1 17 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.417 0.816 18166 10505 1 17 . 1 1 87 87 TYR H H 87 6.814 6.814 7.414 -0.600 18166 10506 1 17 . 1 1 88 88 THR N N 88 109.840 109.840 116.606 -6.766 18166 10507 1 17 . 1 1 88 88 THR HA H 88 4.328 4.328 4.116 0.212 18166 10508 1 17 . 1 1 88 88 THR CA C 88 66.353 66.353 67.164 -0.811 18166 10509 1 17 . 1 1 88 88 THR CB C 88 66.371 66.371 68.463 -2.092 18166 10510 1 17 . 1 1 88 88 THR H H 88 8.318 8.318 7.790 0.528 18166 10511 1 17 . 1 1 89 89 ARG N N 89 121.855 121.855 119.455 2.400 18166 10512 1 17 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.272 -0.195 18166 10513 1 17 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.924 1.105 18166 10514 1 17 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.564 -0.291 18166 10515 1 17 . 1 1 89 89 ARG H H 89 8.320 8.320 7.724 0.596 18166 10516 1 17 . 1 1 90 90 LYS N N 90 124.436 124.436 121.807 2.629 18166 10517 1 17 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.188 -0.259 18166 10518 1 17 . 1 1 90 90 LYS CA C 90 59.862 59.862 59.176 0.686 18166 10519 1 17 . 1 1 90 90 LYS H H 90 7.379 7.379 8.157 -0.778 18166 10520 1 17 . 1 1 91 91 ALA N N 91 121.179 121.179 120.550 0.629 18166 10521 1 17 . 1 1 91 91 ALA HA H 91 3.492 3.492 4.118 -0.626 18166 10522 1 17 . 1 1 91 91 ALA CA C 91 55.053 55.053 55.084 -0.031 18166 10523 1 17 . 1 1 91 91 ALA CB C 91 15.445 15.445 18.395 -2.950 18166 10524 1 17 . 1 1 91 91 ALA H H 91 8.460 8.460 8.185 0.275 18166 10525 1 17 . 1 1 92 92 ALA N N 92 118.165 118.165 120.878 -2.713 18166 10526 1 17 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.089 0.035 18166 10527 1 17 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.862 0.005 18166 10528 1 17 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.645 -0.625 18166 10529 1 17 . 1 1 92 92 ALA H H 92 7.871 7.871 8.018 -0.147 18166 10530 1 17 . 1 1 93 93 ALA N N 93 123.065 123.065 121.752 1.313 18166 10531 1 17 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.378 -0.388 18166 10532 1 17 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.942 0.395 18166 10533 1 17 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.891 -2.270 18166 10534 1 17 . 1 1 93 93 ALA H H 93 7.649 7.649 7.680 -0.031 18166 10535 1 17 . 1 1 94 94 LEU N N 94 117.762 117.762 119.079 -1.317 18166 10536 1 17 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.869 0.247 18166 10537 1 17 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.699 -0.049 18166 10538 1 17 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.437 0.365 18166 10539 1 17 . 1 1 94 94 LEU H H 94 7.847 7.847 8.326 -0.479 18166 10540 1 17 . 1 1 95 95 GLU N N 95 121.139 121.139 119.315 1.824 18166 10541 1 17 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.002 -0.647 18166 10542 1 17 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.699 -0.571 18166 10543 1 17 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.564 -0.171 18166 10544 1 17 . 1 1 95 95 GLU H H 95 8.971 8.971 8.297 0.674 18166 10545 1 17 . 1 1 96 96 ALA N N 96 124.630 124.630 119.527 5.103 18166 10546 1 17 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.077 -0.126 18166 10547 1 17 . 1 1 96 96 ALA CA C 96 54.572 54.572 54.052 0.520 18166 10548 1 17 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.265 -0.906 18166 10549 1 17 . 1 1 96 96 ALA H H 96 7.890 7.890 7.574 0.316 18166 10550 1 17 . 1 1 97 97 MET N N 97 115.484 115.484 116.615 -1.131 18166 10551 1 17 . 1 1 97 97 MET HA H 97 3.714 3.714 4.414 -0.700 18166 10552 1 17 . 1 1 97 97 MET CA C 97 56.071 56.071 54.060 2.011 18166 10553 1 17 . 1 1 97 97 MET CB C 97 33.654 33.654 32.016 1.638 18166 10554 1 17 . 1 1 97 97 MET H H 97 7.155 7.155 7.362 -0.207 18166 10555 1 17 . 1 1 98 98 LYS N N 98 112.882 112.882 114.193 -1.311 18166 10556 1 17 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.312 -0.582 18166 10557 1 17 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.300 -0.548 18166 10558 1 17 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.213 -1.093 18166 10559 1 17 . 1 1 98 98 LYS H H 98 7.597 7.597 7.466 0.131 18166 10560 1 17 . 1 1 99 99 ASP N N 99 120.642 120.642 120.871 -0.229 18166 10561 1 17 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.740 0.097 18166 10562 1 17 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.369 -2.607 18166 10563 1 17 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.111 -1.432 18166 10564 1 17 . 1 1 99 99 ASP H H 99 7.888 7.888 8.064 -0.176 18166 10565 1 17 . 1 1 100 100 TYR N N 100 117.948 117.948 119.879 -1.931 18166 10566 1 17 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.226 -0.281 18166 10567 1 17 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.093 1.841 18166 10568 1 17 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.011 0.628 18166 10569 1 17 . 1 1 100 100 TYR H H 100 6.984 6.984 7.088 -0.104 18166 10570 1 17 . 1 1 101 101 THR N N 101 113.752 113.752 108.798 4.954 18166 10571 1 17 . 1 1 101 101 THR HA H 101 4.008 4.008 4.059 -0.051 18166 10572 1 17 . 1 1 101 101 THR CA C 101 65.857 65.857 64.803 1.054 18166 10573 1 17 . 1 1 101 101 THR CB C 101 67.689 67.689 68.554 -0.865 18166 10574 1 17 . 1 1 101 101 THR H H 101 8.543 8.543 8.408 0.135 18166 10575 1 17 . 1 1 102 102 LYS N N 102 120.641 120.641 119.511 1.130 18166 10576 1 17 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.479 -0.337 18166 10577 1 17 . 1 1 102 102 LYS CA C 102 59.086 59.086 56.996 2.090 18166 10578 1 17 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.764 -0.585 18166 10579 1 17 . 1 1 102 102 LYS H H 102 7.348 7.348 7.524 -0.176 18166 10580 1 17 . 1 1 103 103 ALA N N 103 120.302 120.302 123.551 -3.249 18166 10581 1 17 . 1 1 103 103 ALA HA H 103 3.665 3.665 4.033 -0.368 18166 10582 1 17 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.395 0.261 18166 10583 1 17 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.574 0.315 18166 10584 1 17 . 1 1 103 103 ALA H H 103 8.344 8.344 8.313 0.031 18166 10585 1 17 . 1 1 104 104 MET N N 104 116.430 116.430 113.864 2.566 18166 10586 1 17 . 1 1 104 104 MET HA H 104 3.939 3.939 4.417 -0.478 18166 10587 1 17 . 1 1 104 104 MET CA C 104 61.020 61.020 58.797 2.223 18166 10588 1 17 . 1 1 104 104 MET CB C 104 33.904 33.904 32.419 1.485 18166 10589 1 17 . 1 1 104 104 MET H H 104 8.375 8.375 8.289 0.086 18166 10590 1 17 . 1 1 105 105 ASP N N 105 117.449 117.449 120.801 -3.352 18166 10591 1 17 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.485 0.025 18166 10592 1 17 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.955 -0.842 18166 10593 1 17 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.759 -0.550 18166 10594 1 17 . 1 1 105 105 ASP H H 105 7.319 7.319 7.860 -0.541 18166 10595 1 17 . 1 1 106 106 VAL N N 106 121.168 121.168 120.290 0.878 18166 10596 1 17 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.456 0.294 18166 10597 1 17 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.582 0.399 18166 10598 1 17 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.857 -1.096 18166 10599 1 17 . 1 1 106 106 VAL H H 106 7.825 7.825 7.471 0.354 18166 10600 1 17 . 1 1 107 107 TYR N N 107 120.714 120.714 118.718 1.996 18166 10601 1 17 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.034 0.237 18166 10602 1 17 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.170 1.283 18166 10603 1 17 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.634 0.520 18166 10604 1 17 . 1 1 107 107 TYR H H 107 9.215 9.215 8.467 0.748 18166 10605 1 17 . 1 1 108 108 GLN N N 108 117.293 117.293 119.176 -1.883 18166 10606 1 17 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.251 0.582 18166 10607 1 17 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.161 0.541 18166 10608 1 17 . 1 1 108 108 GLN CB C 108 28.245 28.245 27.878 0.367 18166 10609 1 17 . 1 1 108 108 GLN H H 108 8.605 8.605 7.535 1.070 18166 10610 1 17 . 1 1 109 109 LYS N N 109 120.342 120.342 118.018 2.324 18166 10611 1 17 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.052 -0.050 18166 10612 1 17 . 1 1 109 109 LYS CA C 109 58.537 58.537 57.563 0.974 18166 10613 1 17 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.821 -0.799 18166 10614 1 17 . 1 1 109 109 LYS H H 109 7.571 7.571 7.862 -0.291 18166 10615 1 17 . 1 1 110 110 ALA N N 110 119.851 119.851 123.243 -3.392 18166 10616 1 17 . 1 1 110 110 ALA HA H 110 3.779 3.779 4.273 -0.494 18166 10617 1 17 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.270 -0.218 18166 10618 1 17 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.478 -0.790 18166 10619 1 17 . 1 1 110 110 ALA H H 110 7.693 7.693 7.857 -0.164 18166 10620 1 17 . 1 1 111 111 LEU N N 111 117.859 117.859 117.376 0.483 18166 10621 1 17 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.218 -0.141 18166 10622 1 17 . 1 1 111 111 LEU CA C 111 56.211 56.211 56.824 -0.613 18166 10623 1 17 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.754 0.055 18166 10624 1 17 . 1 1 111 111 LEU H H 111 7.811 7.811 7.995 -0.184 18166 10625 1 17 . 1 1 112 112 ASP N N 112 118.421 118.421 118.209 0.212 18166 10626 1 17 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.402 -0.151 18166 10627 1 17 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.369 -0.607 18166 10628 1 17 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.061 -1.866 18166 10629 1 17 . 1 1 112 112 ASP H H 112 8.099 8.099 7.659 0.440 18166 10630 1 17 . 1 1 113 113 LEU N N 113 120.299 120.299 118.384 1.915 18166 10631 1 17 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.336 -0.179 18166 10632 1 17 . 1 1 113 113 LEU CA C 113 56.534 56.534 55.989 0.545 18166 10633 1 17 . 1 1 113 113 LEU CB C 113 42.479 42.479 43.231 -0.752 18166 10634 1 17 . 1 1 113 113 LEU H H 113 7.319 7.319 7.206 0.113 18166 10635 1 17 . 1 1 114 114 ASP N N 114 118.196 118.196 117.689 0.507 18166 10636 1 17 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.913 -0.275 18166 10637 1 17 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.568 -0.380 18166 10638 1 17 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.546 -2.279 18166 10639 1 17 . 1 1 114 114 ASP H H 114 8.190 8.190 8.073 0.117 18166 10640 1 17 . 1 1 115 115 SER N N 115 121.421 121.421 120.193 1.228 18166 10641 1 17 . 1 1 115 115 SER HA H 115 4.272 4.272 4.152 0.120 18166 10642 1 17 . 1 1 115 115 SER CA C 115 60.133 60.133 61.481 -1.349 18166 10643 1 17 . 1 1 115 115 SER CB C 115 62.791 62.791 62.873 -0.082 18166 10644 1 17 . 1 1 115 115 SER H H 115 8.775 8.775 8.777 -0.002 18166 10645 1 17 . 1 1 116 116 SER N N 116 116.860 116.860 117.893 -1.033 18166 10646 1 17 . 1 1 116 116 SER HA H 116 4.481 4.481 4.265 0.216 18166 10647 1 17 . 1 1 116 116 SER CA C 116 57.961 57.961 60.700 -2.739 18166 10648 1 17 . 1 1 116 116 SER CB C 116 63.960 63.960 63.015 0.945 18166 10649 1 17 . 1 1 116 116 SER H H 116 8.404 8.404 8.408 -0.004 18166 10650 1 17 . 1 1 117 117 CYS N N 117 121.814 121.814 117.562 4.252 18166 10651 1 17 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.505 -0.194 18166 10652 1 17 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.432 0.540 18166 10653 1 17 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.913 -1.047 18166 10654 1 17 . 1 1 117 117 CYS H H 117 7.401 7.401 7.869 -0.468 18166 10655 1 17 . 1 1 118 118 LYS N N 118 105.939 105.939 121.603 -15.664 18166 10656 1 17 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.901 0.071 18166 10657 1 17 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.136 -0.269 18166 10658 1 17 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.252 1.104 18166 10659 1 17 . 1 1 118 118 LYS H H 118 8.647 8.647 8.194 0.453 18166 10660 1 17 . 1 1 119 119 GLU N N 119 117.724 117.724 118.630 -0.906 18166 10661 1 17 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.050 0.081 18166 10662 1 17 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.028 -0.028 18166 10663 1 17 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.792 0.680 18166 10664 1 17 . 1 1 119 119 GLU H H 119 8.998 8.998 8.430 0.568 18166 10665 1 17 . 1 1 120 120 ALA N N 120 120.855 120.855 121.806 -0.951 18166 10666 1 17 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.167 0.201 18166 10667 1 17 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.885 -1.579 18166 10668 1 17 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.536 -0.423 18166 10669 1 17 . 1 1 120 120 ALA H H 120 7.494 7.494 8.396 -0.902 18166 10670 1 17 . 1 1 121 121 ALA N N 121 123.265 123.265 121.377 1.888 18166 10671 1 17 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.218 -0.223 18166 10672 1 17 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.960 -0.168 18166 10673 1 17 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.635 -0.831 18166 10674 1 17 . 1 1 121 121 ALA H H 121 7.914 7.914 7.395 0.519 18166 10675 1 17 . 1 1 122 122 ASP N N 122 118.732 118.732 118.657 0.075 18166 10676 1 17 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.337 -0.066 18166 10677 1 17 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.518 -1.276 18166 10678 1 17 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.839 -1.724 18166 10679 1 17 . 1 1 122 122 ASP H H 122 8.964 8.964 8.329 0.635 18166 10680 1 17 . 1 1 123 123 GLY N N 123 108.568 108.568 107.157 1.411 18166 10681 1 17 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.960 -0.346 18166 10682 1 17 . 1 1 123 123 GLY H H 123 7.572 7.572 7.758 -0.186 18166 10683 1 17 . 1 1 124 124 TYR N N 124 122.944 122.944 123.261 -0.317 18166 10684 1 17 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.856 -0.242 18166 10685 1 17 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.581 2.603 18166 10686 1 17 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.533 0.364 18166 10687 1 17 . 1 1 124 124 TYR H H 124 8.162 8.162 7.886 0.276 18166 10688 1 17 . 1 1 125 125 GLN N N 125 115.988 115.988 116.991 -1.003 18166 10689 1 17 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.641 0.234 18166 10690 1 17 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.624 -0.004 18166 10691 1 17 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.862 0.275 18166 10692 1 17 . 1 1 125 125 GLN H H 125 7.510 7.510 7.825 -0.315 18166 10693 1 17 . 1 1 126 126 ARG N N 126 118.626 118.626 119.048 -0.422 18166 10694 1 17 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.031 -0.098 18166 10695 1 17 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.773 1.044 18166 10696 1 17 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.134 0.958 18166 10697 1 17 . 1 1 126 126 ARG H H 126 8.139 8.139 7.355 0.784 18166 10698 1 17 . 1 1 127 127 CYS N N 127 116.985 116.985 118.044 -1.059 18166 10699 1 17 . 1 1 127 127 CYS HA H 127 3.889 3.889 3.817 0.072 18166 10700 1 17 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.886 1.077 18166 10701 1 17 . 1 1 127 127 CYS CB C 127 27.766 27.766 26.969 0.797 18166 10702 1 17 . 1 1 127 127 CYS H H 127 8.097 8.097 7.591 0.505 18166 10703 1 17 . 1 1 128 128 MET N N 128 120.493 120.493 118.115 2.378 18166 10704 1 17 . 1 1 128 128 MET HA H 128 3.989 3.989 3.823 0.166 18166 10705 1 17 . 1 1 128 128 MET CA C 128 58.420 58.420 58.674 -0.254 18166 10706 1 17 . 1 1 128 128 MET CB C 128 31.539 31.539 31.515 0.024 18166 10707 1 17 . 1 1 128 128 MET H H 128 8.163 8.163 7.872 0.291 18166 10708 1 17 . 1 1 129 129 MET N N 129 115.583 115.583 116.525 -0.942 18166 10709 1 17 . 1 1 129 129 MET HA H 129 4.211 4.211 4.363 -0.152 18166 10710 1 17 . 1 1 129 129 MET CA C 129 56.677 56.677 57.520 -0.843 18166 10711 1 17 . 1 1 129 129 MET CB C 129 31.951 31.951 32.320 -0.369 18166 10712 1 17 . 1 1 129 129 MET H H 129 7.723 7.723 7.363 0.360 18166 10713 1 17 . 1 1 130 130 ALA N N 130 121.061 121.061 121.515 -0.454 18166 10714 1 17 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.853 0.055 18166 10715 1 17 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.253 -1.173 18166 10716 1 17 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.004 -1.500 18166 10717 1 17 . 1 1 130 130 ALA H H 130 7.458 7.458 7.676 -0.218 18166 10718 1 17 . 1 1 131 131 GLN N N 131 114.560 114.560 115.948 -1.388 18166 10719 1 17 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.131 -0.126 18166 10720 1 17 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.753 -0.950 18166 10721 1 17 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.809 0.296 18166 10722 1 17 . 1 1 131 131 GLN H H 131 7.214 7.214 7.234 -0.020 18166 10723 1 17 . 1 1 132 132 TYR N N 132 117.856 117.856 117.264 0.592 18166 10724 1 17 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.751 -0.109 18166 10725 1 17 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.374 2.183 18166 10726 1 17 . 1 1 132 132 TYR CB C 132 38.312 38.312 37.001 1.311 18166 10727 1 17 . 1 1 132 132 TYR H H 132 7.545 7.545 7.294 0.251 18166 10728 1 18 . 1 1 2 2 GLY N N 2 109.986 109.986 109.169 0.817 18166 10729 1 18 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.199 -0.389 18166 10730 1 18 . 1 1 2 2 GLY H H 2 8.520 8.520 8.509 0.011 18166 10731 1 18 . 1 1 3 3 HIS N N 3 117.442 117.442 122.234 -4.792 18166 10732 1 18 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.683 -0.063 18166 10733 1 18 . 1 1 3 3 HIS CB C 3 28.428 28.428 28.780 -0.352 18166 10734 1 18 . 1 1 3 3 HIS H H 3 8.406 8.406 8.509 -0.103 18166 10735 1 18 . 1 1 4 4 HIS N N 4 118.932 118.932 118.935 -0.003 18166 10736 1 18 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.719 -0.091 18166 10737 1 18 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.479 -0.572 18166 10738 1 18 . 1 1 4 4 HIS CB C 4 28.198 28.198 32.067 -3.869 18166 10739 1 18 . 1 1 4 4 HIS H H 4 8.552 8.552 8.256 0.296 18166 10740 1 18 . 1 1 5 5 HIS N N 5 119.580 119.580 121.449 -1.869 18166 10741 1 18 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.746 -0.098 18166 10742 1 18 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.984 -0.852 18166 10743 1 18 . 1 1 5 5 HIS CB C 5 28.761 28.761 31.513 -2.752 18166 10744 1 18 . 1 1 5 5 HIS H H 5 8.615 8.615 8.721 -0.106 18166 10745 1 18 . 1 1 6 6 HIS N N 6 121.369 121.369 119.124 2.245 18166 10746 1 18 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.624 0.024 18166 10747 1 18 . 1 1 6 6 HIS CA C 6 54.949 54.949 56.355 -1.406 18166 10748 1 18 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.488 -1.388 18166 10749 1 18 . 1 1 6 6 HIS H H 6 8.732 8.732 8.758 -0.026 18166 10750 1 18 . 1 1 7 7 HIS N N 7 120.276 120.276 117.970 2.306 18166 10751 1 18 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.517 0.125 18166 10752 1 18 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.306 -1.159 18166 10753 1 18 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.228 -1.403 18166 10754 1 18 . 1 1 7 7 HIS H H 7 8.708 8.708 8.584 0.124 18166 10755 1 18 . 1 1 8 8 HIS N N 8 120.007 120.007 120.175 -0.168 18166 10756 1 18 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.499 0.197 18166 10757 1 18 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.743 -0.882 18166 10758 1 18 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.098 -1.401 18166 10759 1 18 . 1 1 8 8 HIS H H 8 8.708 8.708 8.421 0.287 18166 10760 1 18 . 1 1 9 9 SER N N 9 117.977 117.977 116.464 1.513 18166 10761 1 18 . 1 1 9 9 SER HA H 9 4.404 4.404 4.000 0.404 18166 10762 1 18 . 1 1 9 9 SER CA C 9 57.718 57.718 58.166 -0.448 18166 10763 1 18 . 1 1 9 9 SER CB C 9 63.246 63.246 64.061 -0.815 18166 10764 1 18 . 1 1 9 9 SER H H 9 8.535 8.535 8.331 0.204 18166 10765 1 18 . 1 1 10 10 HIS N N 10 120.441 120.441 121.012 -0.571 18166 10766 1 18 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.341 0.353 18166 10767 1 18 . 1 1 10 10 HIS H H 10 8.744 8.744 8.498 0.246 18166 10768 1 18 . 1 1 11 11 MET N N 11 122.004 122.004 118.756 3.248 18166 10769 1 18 . 1 1 11 11 MET HA H 11 4.427 4.427 4.302 0.125 18166 10770 1 18 . 1 1 11 11 MET CA C 11 54.665 54.665 56.944 -2.279 18166 10771 1 18 . 1 1 11 11 MET CB C 11 32.913 32.913 32.553 0.360 18166 10772 1 18 . 1 1 11 11 MET H H 11 8.443 8.443 8.389 0.054 18166 10773 1 18 . 1 1 12 12 ASN N N 12 121.852 121.852 117.688 4.164 18166 10774 1 18 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.799 0.138 18166 10775 1 18 . 1 1 12 12 ASN CA C 12 51.380 51.380 52.069 -0.689 18166 10776 1 18 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.640 -0.327 18166 10777 1 18 . 1 1 12 12 ASN H H 12 8.631 8.631 7.938 0.693 18166 10778 1 18 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.213 0.147 18166 10779 1 18 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.606 -1.457 18166 10780 1 18 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.226 -0.474 18166 10781 1 18 . 1 1 14 14 ASP N N 14 119.643 119.643 116.451 3.192 18166 10782 1 18 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.629 -0.086 18166 10783 1 18 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.851 0.177 18166 10784 1 18 . 1 1 14 14 ASP CB C 14 39.762 39.762 42.173 -2.411 18166 10785 1 18 . 1 1 14 14 ASP H H 14 8.344 8.344 7.695 0.649 18166 10786 1 18 . 1 1 15 15 LEU N N 15 123.333 123.333 125.071 -1.738 18166 10787 1 18 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.074 0.075 18166 10788 1 18 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.709 -1.266 18166 10789 1 18 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.803 -0.428 18166 10790 1 18 . 1 1 15 15 LEU H H 15 8.119 8.119 9.165 -1.046 18166 10791 1 18 . 1 1 16 16 ALA N N 16 121.879 121.879 120.596 1.283 18166 10792 1 18 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.181 -0.067 18166 10793 1 18 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.678 -1.308 18166 10794 1 18 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.453 -0.405 18166 10795 1 18 . 1 1 16 16 ALA H H 16 8.212 8.212 8.032 0.180 18166 10796 1 18 . 1 1 17 17 LEU N N 17 118.990 118.990 113.865 5.125 18166 10797 1 18 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.592 -0.453 18166 10798 1 18 . 1 1 17 17 LEU CA C 17 56.109 56.109 56.611 -0.502 18166 10799 1 18 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.198 -0.822 18166 10800 1 18 . 1 1 17 17 LEU H H 17 7.719 7.719 7.521 0.198 18166 10801 1 18 . 1 1 18 18 MET N N 18 118.534 118.534 118.866 -0.332 18166 10802 1 18 . 1 1 18 18 MET HA H 18 4.274 4.274 4.393 -0.119 18166 10803 1 18 . 1 1 18 18 MET CA C 18 56.497 56.497 56.579 -0.082 18166 10804 1 18 . 1 1 18 18 MET CB C 18 31.787 31.787 31.308 0.478 18166 10805 1 18 . 1 1 18 18 MET H H 18 7.996 7.996 7.657 0.339 18166 10806 1 18 . 1 1 19 19 VAL N N 19 119.243 119.243 120.033 -0.790 18166 10807 1 18 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.729 0.104 18166 10808 1 18 . 1 1 19 19 VAL CA C 19 63.734 63.734 66.224 -2.490 18166 10809 1 18 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.455 0.201 18166 10810 1 18 . 1 1 19 19 VAL H H 19 7.915 7.915 7.694 0.221 18166 10811 1 18 . 1 1 20 20 LYS N N 20 123.321 123.321 116.852 6.469 18166 10812 1 18 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.239 -0.262 18166 10813 1 18 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.201 -0.858 18166 10814 1 18 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.963 0.033 18166 10815 1 18 . 1 1 20 20 LYS H H 20 8.139 8.139 8.217 -0.078 18166 10816 1 18 . 1 1 21 21 ASN N N 21 118.732 118.732 120.240 -1.508 18166 10817 1 18 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.559 0.019 18166 10818 1 18 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.076 -1.836 18166 10819 1 18 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.356 -0.617 18166 10820 1 18 . 1 1 21 21 ASN H H 21 8.349 8.349 7.756 0.593 18166 10821 1 18 . 1 1 22 22 LYS N N 22 121.941 121.941 119.841 2.100 18166 10822 1 18 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.401 -0.377 18166 10823 1 18 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.365 -0.055 18166 10824 1 18 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.500 0.019 18166 10825 1 18 . 1 1 22 22 LYS H H 22 8.185 8.185 7.832 0.352 18166 10826 1 18 . 1 1 23 23 GLY N N 23 107.792 107.792 108.680 -0.888 18166 10827 1 18 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.829 0.937 18166 10828 1 18 . 1 1 23 23 GLY H H 23 8.336 8.336 8.023 0.313 18166 10829 1 18 . 1 1 24 24 ASN N N 24 120.049 120.049 120.997 -0.948 18166 10830 1 18 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.781 -0.197 18166 10831 1 18 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.827 -0.626 18166 10832 1 18 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.399 -0.829 18166 10833 1 18 . 1 1 24 24 ASN H H 24 8.337 8.337 8.178 0.159 18166 10834 1 18 . 1 1 25 25 GLU N N 25 121.510 121.510 120.811 0.699 18166 10835 1 18 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.155 -0.108 18166 10836 1 18 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.270 -0.293 18166 10837 1 18 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.393 -0.290 18166 10838 1 18 . 1 1 25 25 GLU H H 25 8.366 8.366 7.870 0.496 18166 10839 1 18 . 1 1 26 26 CYS N N 26 116.512 116.512 118.326 -1.814 18166 10840 1 18 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.195 -0.093 18166 10841 1 18 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.179 -0.175 18166 10842 1 18 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.812 -0.556 18166 10843 1 18 . 1 1 26 26 CYS H H 26 8.092 8.092 7.980 0.112 18166 10844 1 18 . 1 1 27 27 PHE N N 27 122.066 122.066 121.235 0.831 18166 10845 1 18 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.495 -0.743 18166 10846 1 18 . 1 1 27 27 PHE CA C 27 61.480 61.480 60.338 1.142 18166 10847 1 18 . 1 1 27 27 PHE CB C 27 39.902 39.902 39.071 0.831 18166 10848 1 18 . 1 1 27 27 PHE H H 27 8.756 8.756 8.253 0.503 18166 10849 1 18 . 1 1 28 28 GLN N N 28 119.430 119.430 119.539 -0.109 18166 10850 1 18 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.029 -0.013 18166 10851 1 18 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.843 0.282 18166 10852 1 18 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.318 -0.108 18166 10853 1 18 . 1 1 28 28 GLN H H 28 8.574 8.574 8.022 0.552 18166 10854 1 18 . 1 1 29 29 LYS N N 29 116.011 116.011 117.424 -1.413 18166 10855 1 18 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.289 -0.045 18166 10856 1 18 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.708 0.390 18166 10857 1 18 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.458 0.078 18166 10858 1 18 . 1 1 29 29 LYS H H 29 7.410 7.410 7.568 -0.158 18166 10859 1 18 . 1 1 30 30 GLY N N 30 107.636 107.636 107.506 0.130 18166 10860 1 18 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.826 -0.243 18166 10861 1 18 . 1 1 30 30 GLY H H 30 7.566 7.566 7.733 -0.167 18166 10862 1 18 . 1 1 31 31 ASP N N 31 120.587 120.587 123.126 -2.539 18166 10863 1 18 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.717 -0.049 18166 10864 1 18 . 1 1 31 31 ASP CA C 31 51.041 51.041 54.665 -3.624 18166 10865 1 18 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.868 -1.150 18166 10866 1 18 . 1 1 31 31 ASP H H 31 7.826 7.826 7.714 0.112 18166 10867 1 18 . 1 1 32 32 TYR N N 32 120.190 120.190 125.350 -5.160 18166 10868 1 18 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.662 -0.890 18166 10869 1 18 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.556 -0.301 18166 10870 1 18 . 1 1 32 32 TYR H H 32 7.313 7.313 8.270 -0.957 18166 10871 1 18 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.257 -0.037 18166 10872 1 18 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.922 0.433 18166 10873 1 18 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.576 -0.289 18166 10874 1 18 . 1 1 34 34 GLN N N 34 115.797 115.797 117.183 -1.386 18166 10875 1 18 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.973 -0.048 18166 10876 1 18 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.349 -0.185 18166 10877 1 18 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.619 0.759 18166 10878 1 18 . 1 1 34 34 GLN H H 34 7.278 7.278 8.684 -1.406 18166 10879 1 18 . 1 1 35 35 ALA N N 35 121.852 121.852 122.079 -0.227 18166 10880 1 18 . 1 1 35 35 ALA HA H 35 4.072 4.072 2.702 1.370 18166 10881 1 18 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.537 1.060 18166 10882 1 18 . 1 1 35 35 ALA CB C 35 18.545 18.545 17.795 0.750 18166 10883 1 18 . 1 1 35 35 ALA H H 35 8.376 8.376 7.644 0.732 18166 10884 1 18 . 1 1 36 36 MET N N 36 116.867 116.867 117.475 -0.608 18166 10885 1 18 . 1 1 36 36 MET HA H 36 3.887 3.887 4.048 -0.161 18166 10886 1 18 . 1 1 36 36 MET CA C 36 59.400 59.400 57.259 2.141 18166 10887 1 18 . 1 1 36 36 MET CB C 36 30.626 30.626 31.722 -1.096 18166 10888 1 18 . 1 1 36 36 MET H H 36 8.538 8.538 7.553 0.985 18166 10889 1 18 . 1 1 37 37 LYS N N 37 122.037 122.037 119.450 2.587 18166 10890 1 18 . 1 1 37 37 LYS HA H 37 3.912 3.912 3.923 -0.011 18166 10891 1 18 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.615 -0.391 18166 10892 1 18 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.257 -0.061 18166 10893 1 18 . 1 1 37 37 LYS H H 37 7.599 7.599 7.648 -0.049 18166 10894 1 18 . 1 1 38 38 HIS N N 38 117.718 117.718 116.620 1.098 18166 10895 1 18 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.515 0.120 18166 10896 1 18 . 1 1 38 38 HIS CA C 38 58.000 58.000 57.832 0.168 18166 10897 1 18 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.514 -1.514 18166 10898 1 18 . 1 1 38 38 HIS H H 38 7.908 7.908 7.604 0.304 18166 10899 1 18 . 1 1 39 39 TYR N N 39 118.987 118.987 120.040 -1.053 18166 10900 1 18 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.407 0.058 18166 10901 1 18 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.766 0.487 18166 10902 1 18 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.036 -0.245 18166 10903 1 18 . 1 1 39 39 TYR H H 39 9.156 9.156 7.993 1.163 18166 10904 1 18 . 1 1 40 40 THR N N 40 117.147 117.147 116.068 1.079 18166 10905 1 18 . 1 1 40 40 THR HA H 40 3.872 3.872 3.880 -0.008 18166 10906 1 18 . 1 1 40 40 THR CA C 40 67.449 67.449 67.014 0.435 18166 10907 1 18 . 1 1 40 40 THR CB C 40 68.728 68.728 68.502 0.226 18166 10908 1 18 . 1 1 40 40 THR H H 40 8.476 8.476 7.735 0.741 18166 10909 1 18 . 1 1 41 41 GLU N N 41 122.067 122.067 120.394 1.673 18166 10910 1 18 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.188 -0.209 18166 10911 1 18 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.450 0.295 18166 10912 1 18 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.084 -0.361 18166 10913 1 18 . 1 1 41 41 GLU H H 41 7.762 7.762 7.730 0.032 18166 10914 1 18 . 1 1 42 42 ALA N N 42 122.040 122.040 121.605 0.435 18166 10915 1 18 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.161 -0.192 18166 10916 1 18 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.394 0.775 18166 10917 1 18 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.846 -0.476 18166 10918 1 18 . 1 1 42 42 ALA H H 42 8.191 8.191 7.442 0.749 18166 10919 1 18 . 1 1 43 43 ILE N N 43 122.662 122.662 117.890 4.772 18166 10920 1 18 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.909 -0.593 18166 10921 1 18 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.615 0.983 18166 10922 1 18 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.798 0.689 18166 10923 1 18 . 1 1 43 43 ILE H H 43 8.427 8.427 7.568 0.859 18166 10924 1 18 . 1 1 44 44 LYS N N 44 117.349 117.349 117.532 -0.183 18166 10925 1 18 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.072 -0.131 18166 10926 1 18 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.483 1.218 18166 10927 1 18 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.032 -0.041 18166 10928 1 18 . 1 1 44 44 LYS H H 44 7.473 7.473 7.450 0.023 18166 10929 1 18 . 1 1 45 45 ARG N N 45 114.723 114.723 115.958 -1.235 18166 10930 1 18 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.412 -0.239 18166 10931 1 18 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.665 0.741 18166 10932 1 18 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.346 -1.008 18166 10933 1 18 . 1 1 45 45 ARG H H 45 7.150 7.150 7.305 -0.155 18166 10934 1 18 . 1 1 46 46 ASN N N 46 115.919 115.919 116.596 -0.677 18166 10935 1 18 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.154 -0.081 18166 10936 1 18 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.497 -0.340 18166 10937 1 18 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.773 -1.142 18166 10938 1 18 . 1 1 46 46 ASN H H 46 7.885 7.885 8.091 -0.206 18166 10939 1 18 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.589 0.143 18166 10940 1 18 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.491 -0.286 18166 10941 1 18 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.242 -0.288 18166 10942 1 18 . 1 1 48 48 LYS N N 48 118.494 118.494 117.656 0.838 18166 10943 1 18 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.265 0.370 18166 10944 1 18 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.369 -1.369 18166 10945 1 18 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.804 -0.377 18166 10946 1 18 . 1 1 48 48 LYS H H 48 8.154 8.154 8.345 -0.191 18166 10947 1 18 . 1 1 49 49 ASP N N 49 119.387 119.387 120.267 -0.880 18166 10948 1 18 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.561 0.129 18166 10949 1 18 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.229 -0.351 18166 10950 1 18 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.752 -0.726 18166 10951 1 18 . 1 1 49 49 ASP H H 49 7.317 7.317 7.463 -0.146 18166 10952 1 18 . 1 1 50 50 ALA N N 50 128.206 128.206 129.657 -1.451 18166 10953 1 18 . 1 1 50 50 ALA HA H 50 4.041 4.041 3.946 0.095 18166 10954 1 18 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.104 0.460 18166 10955 1 18 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.882 1.208 18166 10956 1 18 . 1 1 50 50 ALA H H 50 8.466 8.466 7.865 0.601 18166 10957 1 18 . 1 1 51 51 LYS N N 51 113.628 113.628 116.441 -2.813 18166 10958 1 18 . 1 1 51 51 LYS HA H 51 3.877 3.877 3.342 0.535 18166 10959 1 18 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.171 1.143 18166 10960 1 18 . 1 1 51 51 LYS CB C 51 31.320 31.320 30.924 0.396 18166 10961 1 18 . 1 1 51 51 LYS H H 51 7.985 7.985 7.799 0.186 18166 10962 1 18 . 1 1 52 52 LEU N N 52 117.207 117.207 120.537 -3.330 18166 10963 1 18 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.933 -0.261 18166 10964 1 18 . 1 1 52 52 LEU CA C 52 57.278 57.278 56.781 0.497 18166 10965 1 18 . 1 1 52 52 LEU CB C 52 42.092 42.092 41.219 0.873 18166 10966 1 18 . 1 1 52 52 LEU H H 52 7.323 7.323 7.319 0.004 18166 10967 1 18 . 1 1 53 53 TYR N N 53 116.167 116.167 118.098 -1.931 18166 10968 1 18 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.079 -0.201 18166 10969 1 18 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.505 0.068 18166 10970 1 18 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.739 0.408 18166 10971 1 18 . 1 1 53 53 TYR H H 53 6.955 6.955 7.566 -0.611 18166 10972 1 18 . 1 1 54 54 SER N N 54 112.799 112.799 114.102 -1.303 18166 10973 1 18 . 1 1 54 54 SER HA H 54 3.976 3.976 4.359 -0.383 18166 10974 1 18 . 1 1 54 54 SER CA C 54 61.200 61.200 60.003 1.197 18166 10975 1 18 . 1 1 54 54 SER CB C 54 62.184 62.184 62.599 -0.415 18166 10976 1 18 . 1 1 54 54 SER H H 54 7.661 7.661 7.933 -0.272 18166 10977 1 18 . 1 1 55 55 ASN N N 55 119.126 119.126 120.510 -1.384 18166 10978 1 18 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.143 -0.044 18166 10979 1 18 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.641 -0.400 18166 10980 1 18 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.418 -1.141 18166 10981 1 18 . 1 1 55 55 ASN H H 55 7.729 7.729 7.761 -0.032 18166 10982 1 18 . 1 1 56 56 ARG N N 56 122.589 122.589 119.694 2.895 18166 10983 1 18 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.670 0.463 18166 10984 1 18 . 1 1 56 56 ARG CA C 56 61.560 61.560 59.158 2.402 18166 10985 1 18 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.633 -0.564 18166 10986 1 18 . 1 1 56 56 ARG H H 56 8.329 8.329 7.917 0.412 18166 10987 1 18 . 1 1 57 57 ALA N N 57 122.569 122.569 121.686 0.883 18166 10988 1 18 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.188 0.072 18166 10989 1 18 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.925 1.150 18166 10990 1 18 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.222 1.667 18166 10991 1 18 . 1 1 57 57 ALA H H 57 8.857 8.857 7.883 0.974 18166 10992 1 18 . 1 1 58 58 ALA N N 58 120.015 120.015 119.987 0.028 18166 10993 1 18 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.065 0.018 18166 10994 1 18 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.698 0.352 18166 10995 1 18 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.210 -0.386 18166 10996 1 18 . 1 1 58 58 ALA H H 58 7.574 7.574 7.716 -0.142 18166 10997 1 18 . 1 1 59 59 CYS N N 59 117.074 117.074 116.133 0.941 18166 10998 1 18 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.384 -0.322 18166 10999 1 18 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.964 0.281 18166 11000 1 18 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.979 -0.152 18166 11001 1 18 . 1 1 59 59 CYS H H 59 7.523 7.523 7.301 0.222 18166 11002 1 18 . 1 1 60 60 TYR N N 60 118.554 118.554 120.441 -1.887 18166 11003 1 18 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.060 0.227 18166 11004 1 18 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.160 0.744 18166 11005 1 18 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.094 1.183 18166 11006 1 18 . 1 1 60 60 TYR H H 60 8.684 8.684 8.326 0.358 18166 11007 1 18 . 1 1 61 61 THR N N 61 116.951 116.951 112.673 4.278 18166 11008 1 18 . 1 1 61 61 THR HA H 61 4.264 4.264 2.725 1.539 18166 11009 1 18 . 1 1 61 61 THR CA C 61 67.645 67.645 65.410 2.235 18166 11010 1 18 . 1 1 61 61 THR CB C 61 67.784 67.784 68.297 -0.513 18166 11011 1 18 . 1 1 61 61 THR H H 61 8.572 8.572 8.074 0.498 18166 11012 1 18 . 1 1 62 62 LYS N N 62 122.578 122.578 121.158 1.420 18166 11013 1 18 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.242 -0.318 18166 11014 1 18 . 1 1 62 62 LYS CA C 62 57.206 57.206 57.788 -0.582 18166 11015 1 18 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.031 -1.237 18166 11016 1 18 . 1 1 62 62 LYS H H 62 7.410 7.410 7.849 -0.439 18166 11017 1 18 . 1 1 63 63 LEU N N 63 117.404 117.404 119.209 -1.805 18166 11018 1 18 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.287 -0.071 18166 11019 1 18 . 1 1 63 63 LEU CA C 63 54.045 54.045 55.220 -1.175 18166 11020 1 18 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.570 -0.927 18166 11021 1 18 . 1 1 63 63 LEU H H 63 7.397 7.397 7.679 -0.282 18166 11022 1 18 . 1 1 64 64 LEU N N 64 113.668 113.668 115.069 -1.401 18166 11023 1 18 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.253 -1.283 18166 11024 1 18 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.233 -1.415 18166 11025 1 18 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.042 -1.791 18166 11026 1 18 . 1 1 64 64 LEU H H 64 7.457 7.457 7.614 -0.157 18166 11027 1 18 . 1 1 65 65 GLU N N 65 120.636 120.636 119.916 0.720 18166 11028 1 18 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.449 -0.046 18166 11029 1 18 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.829 -1.599 18166 11030 1 18 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.253 -0.163 18166 11031 1 18 . 1 1 65 65 GLU H H 65 8.085 8.085 8.315 -0.230 18166 11032 1 18 . 1 1 66 66 PHE N N 66 118.292 118.292 120.544 -2.252 18166 11033 1 18 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.080 -0.054 18166 11034 1 18 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.271 -1.282 18166 11035 1 18 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.779 -0.495 18166 11036 1 18 . 1 1 66 66 PHE H H 66 6.812 6.812 7.691 -0.879 18166 11037 1 18 . 1 1 67 67 GLN N N 67 117.166 117.166 117.660 -0.494 18166 11038 1 18 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.039 -0.056 18166 11039 1 18 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.713 -0.035 18166 11040 1 18 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.877 -1.033 18166 11041 1 18 . 1 1 67 67 GLN H H 67 8.589 8.589 8.576 0.013 18166 11042 1 18 . 1 1 68 68 LEU N N 68 119.871 119.871 119.385 0.486 18166 11043 1 18 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.982 -0.216 18166 11044 1 18 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.667 0.808 18166 11045 1 18 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.776 -2.756 18166 11046 1 18 . 1 1 68 68 LEU H H 68 7.422 7.422 7.745 -0.323 18166 11047 1 18 . 1 1 69 69 ALA N N 69 121.380 121.380 122.209 -0.829 18166 11048 1 18 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.287 -0.154 18166 11049 1 18 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.011 0.817 18166 11050 1 18 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.388 0.119 18166 11051 1 18 . 1 1 69 69 ALA H H 69 7.871 7.871 7.711 0.160 18166 11052 1 18 . 1 1 70 70 LEU N N 70 118.569 118.569 119.435 -0.866 18166 11053 1 18 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.875 -0.061 18166 11054 1 18 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.869 0.710 18166 11055 1 18 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.702 -0.776 18166 11056 1 18 . 1 1 70 70 LEU H H 70 8.519 8.519 8.135 0.384 18166 11057 1 18 . 1 1 71 71 LYS N N 71 119.700 119.700 117.465 2.235 18166 11058 1 18 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.216 -0.239 18166 11059 1 18 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.795 0.400 18166 11060 1 18 . 1 1 71 71 LYS H H 71 7.619 7.619 7.498 0.121 18166 11061 1 18 . 1 1 72 72 ASP N N 72 121.506 121.506 120.738 0.768 18166 11062 1 18 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.522 0.092 18166 11063 1 18 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.154 0.139 18166 11064 1 18 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.069 -1.087 18166 11065 1 18 . 1 1 72 72 ASP H H 72 7.460 7.460 8.328 -0.868 18166 11066 1 18 . 1 1 73 73 CYS N N 73 118.302 118.302 118.347 -0.045 18166 11067 1 18 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.165 -0.331 18166 11068 1 18 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.708 2.979 18166 11069 1 18 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.503 -0.957 18166 11070 1 18 . 1 1 73 73 CYS H H 73 8.366 8.366 7.673 0.693 18166 11071 1 18 . 1 1 74 74 GLU N N 74 117.660 117.660 119.542 -1.882 18166 11072 1 18 . 1 1 74 74 GLU HA H 74 3.901 3.901 3.940 -0.039 18166 11073 1 18 . 1 1 74 74 GLU CA C 74 58.213 58.213 59.352 -1.139 18166 11074 1 18 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.564 -1.548 18166 11075 1 18 . 1 1 74 74 GLU H H 74 8.244 8.244 7.995 0.249 18166 11076 1 18 . 1 1 75 75 GLU N N 75 119.807 119.807 117.828 1.979 18166 11077 1 18 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.128 -0.235 18166 11078 1 18 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.513 -0.364 18166 11079 1 18 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.558 -2.884 18166 11080 1 18 . 1 1 75 75 GLU H H 75 7.394 7.394 7.995 -0.601 18166 11081 1 18 . 1 1 76 76 CYS N N 76 118.342 118.342 118.910 -0.568 18166 11082 1 18 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.993 -0.152 18166 11083 1 18 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.410 2.893 18166 11084 1 18 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.320 0.051 18166 11085 1 18 . 1 1 76 76 CYS H H 76 7.852 7.852 8.042 -0.190 18166 11086 1 18 . 1 1 77 77 ILE N N 77 117.728 117.728 119.210 -1.482 18166 11087 1 18 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.193 -0.713 18166 11088 1 18 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.775 0.434 18166 11089 1 18 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.731 0.818 18166 11090 1 18 . 1 1 77 77 ILE H H 77 7.897 7.897 7.370 0.527 18166 11091 1 18 . 1 1 78 78 GLN N N 78 117.037 117.037 118.124 -1.087 18166 11092 1 18 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.099 -0.194 18166 11093 1 18 . 1 1 78 78 GLN CA C 78 58.214 58.214 58.123 0.091 18166 11094 1 18 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.570 -0.220 18166 11095 1 18 . 1 1 78 78 GLN H H 78 7.655 7.655 7.619 0.036 18166 11096 1 18 . 1 1 79 79 LEU N N 79 118.180 118.180 117.176 1.004 18166 11097 1 18 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.353 -0.258 18166 11098 1 18 . 1 1 79 79 LEU CA C 79 56.515 56.515 55.480 1.036 18166 11099 1 18 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.937 1.107 18166 11100 1 18 . 1 1 79 79 LEU H H 79 8.021 8.021 7.202 0.819 18166 11101 1 18 . 1 1 80 80 GLU N N 80 117.250 117.250 118.631 -1.381 18166 11102 1 18 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.688 0.148 18166 11103 1 18 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.245 0.297 18166 11104 1 18 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.947 -0.168 18166 11105 1 18 . 1 1 80 80 GLU H H 80 8.403 8.403 7.771 0.632 18166 11106 1 18 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.654 0.212 18166 11107 1 18 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.151 0.594 18166 11108 1 18 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.501 -0.748 18166 11109 1 18 . 1 1 82 82 THR N N 82 107.443 107.443 110.074 -2.631 18166 11110 1 18 . 1 1 82 82 THR HA H 82 4.607 4.607 4.449 0.158 18166 11111 1 18 . 1 1 82 82 THR CA C 82 61.139 61.139 60.662 0.477 18166 11112 1 18 . 1 1 82 82 THR CB C 82 68.785 68.785 69.126 -0.341 18166 11113 1 18 . 1 1 82 82 THR H H 82 8.129 8.129 7.869 0.260 18166 11114 1 18 . 1 1 83 83 PHE N N 83 123.490 123.490 124.462 -0.972 18166 11115 1 18 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.579 0.551 18166 11116 1 18 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.365 -0.653 18166 11117 1 18 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.895 -0.632 18166 11118 1 18 . 1 1 83 83 PHE H H 83 8.022 8.022 7.640 0.382 18166 11119 1 18 . 1 1 84 84 ILE N N 84 131.837 131.837 127.630 4.207 18166 11120 1 18 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.716 0.234 18166 11121 1 18 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.844 -0.614 18166 11122 1 18 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.472 0.497 18166 11123 1 18 . 1 1 84 84 ILE H H 84 8.955 8.955 7.809 1.146 18166 11124 1 18 . 1 1 85 85 LYS N N 85 115.465 115.465 118.182 -2.717 18166 11125 1 18 . 1 1 85 85 LYS HA H 85 4.458 4.458 3.950 0.508 18166 11126 1 18 . 1 1 85 85 LYS CA C 85 56.336 56.336 57.888 -1.552 18166 11127 1 18 . 1 1 85 85 LYS CB C 85 31.481 31.481 30.817 0.664 18166 11128 1 18 . 1 1 85 85 LYS H H 85 6.000 6.000 7.570 -1.570 18166 11129 1 18 . 1 1 86 86 GLY N N 86 103.958 103.958 107.650 -3.692 18166 11130 1 18 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.028 1.133 18166 11131 1 18 . 1 1 86 86 GLY H H 86 6.966 6.966 7.117 -0.151 18166 11132 1 18 . 1 1 87 87 TYR N N 87 115.851 115.851 120.663 -4.812 18166 11133 1 18 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.298 -0.358 18166 11134 1 18 . 1 1 87 87 TYR CA C 87 60.197 60.197 61.544 -1.347 18166 11135 1 18 . 1 1 87 87 TYR CB C 87 38.233 38.233 38.192 0.041 18166 11136 1 18 . 1 1 87 87 TYR H H 87 6.814 6.814 7.561 -0.747 18166 11137 1 18 . 1 1 88 88 THR N N 88 109.840 109.840 115.578 -5.738 18166 11138 1 18 . 1 1 88 88 THR HA H 88 4.328 4.328 4.100 0.228 18166 11139 1 18 . 1 1 88 88 THR CA C 88 66.353 66.353 66.400 -0.047 18166 11140 1 18 . 1 1 88 88 THR CB C 88 66.371 66.371 68.570 -2.199 18166 11141 1 18 . 1 1 88 88 THR H H 88 8.318 8.318 7.962 0.356 18166 11142 1 18 . 1 1 89 89 ARG N N 89 121.855 121.855 120.409 1.446 18166 11143 1 18 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.419 -0.342 18166 11144 1 18 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.287 1.742 18166 11145 1 18 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.938 -0.664 18166 11146 1 18 . 1 1 89 89 ARG H H 89 8.320 8.320 7.824 0.496 18166 11147 1 18 . 1 1 90 90 LYS N N 90 124.436 124.436 121.221 3.215 18166 11148 1 18 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.043 -0.114 18166 11149 1 18 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.893 0.969 18166 11150 1 18 . 1 1 90 90 LYS H H 90 7.379 7.379 8.172 -0.793 18166 11151 1 18 . 1 1 91 91 ALA N N 91 121.179 121.179 119.793 1.386 18166 11152 1 18 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.869 -0.377 18166 11153 1 18 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.788 0.266 18166 11154 1 18 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.506 -2.061 18166 11155 1 18 . 1 1 91 91 ALA H H 91 8.460 8.460 7.525 0.935 18166 11156 1 18 . 1 1 92 92 ALA N N 92 118.165 118.165 121.403 -3.238 18166 11157 1 18 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.278 -0.154 18166 11158 1 18 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.697 0.170 18166 11159 1 18 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.542 -0.522 18166 11160 1 18 . 1 1 92 92 ALA H H 92 7.871 7.871 7.802 0.069 18166 11161 1 18 . 1 1 93 93 ALA N N 93 123.065 123.065 121.399 1.666 18166 11162 1 18 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.279 -0.289 18166 11163 1 18 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.603 0.734 18166 11164 1 18 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.559 -1.938 18166 11165 1 18 . 1 1 93 93 ALA H H 93 7.649 7.649 7.652 -0.003 18166 11166 1 18 . 1 1 94 94 LEU N N 94 117.762 117.762 120.161 -2.399 18166 11167 1 18 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.876 0.240 18166 11168 1 18 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.552 0.098 18166 11169 1 18 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.455 0.347 18166 11170 1 18 . 1 1 94 94 LEU H H 94 7.847 7.847 8.351 -0.504 18166 11171 1 18 . 1 1 95 95 GLU N N 95 121.139 121.139 119.500 1.639 18166 11172 1 18 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.122 -0.767 18166 11173 1 18 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.689 -0.561 18166 11174 1 18 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.760 -0.367 18166 11175 1 18 . 1 1 95 95 GLU H H 95 8.971 8.971 8.332 0.639 18166 11176 1 18 . 1 1 96 96 ALA N N 96 124.630 124.630 119.152 5.478 18166 11177 1 18 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.179 -0.228 18166 11178 1 18 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.532 1.040 18166 11179 1 18 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.651 -1.292 18166 11180 1 18 . 1 1 96 96 ALA H H 96 7.890 7.890 7.660 0.230 18166 11181 1 18 . 1 1 97 97 MET N N 97 115.484 115.484 116.706 -1.222 18166 11182 1 18 . 1 1 97 97 MET HA H 97 3.714 3.714 4.510 -0.796 18166 11183 1 18 . 1 1 97 97 MET CA C 97 56.071 56.071 53.674 2.397 18166 11184 1 18 . 1 1 97 97 MET CB C 97 33.654 33.654 32.545 1.109 18166 11185 1 18 . 1 1 97 97 MET H H 97 7.155 7.155 7.451 -0.296 18166 11186 1 18 . 1 1 98 98 LYS N N 98 112.882 112.882 115.349 -2.467 18166 11187 1 18 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.149 -0.419 18166 11188 1 18 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.587 -0.836 18166 11189 1 18 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.355 -1.235 18166 11190 1 18 . 1 1 98 98 LYS H H 98 7.597 7.597 7.632 -0.035 18166 11191 1 18 . 1 1 99 99 ASP N N 99 120.642 120.642 120.473 0.169 18166 11192 1 18 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.718 0.119 18166 11193 1 18 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.268 -2.506 18166 11194 1 18 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.048 -1.369 18166 11195 1 18 . 1 1 99 99 ASP H H 99 7.888 7.888 7.998 -0.110 18166 11196 1 18 . 1 1 100 100 TYR N N 100 117.948 117.948 120.564 -2.616 18166 11197 1 18 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.215 -0.270 18166 11198 1 18 . 1 1 100 100 TYR CA C 100 61.934 61.934 61.401 0.533 18166 11199 1 18 . 1 1 100 100 TYR CB C 100 37.639 37.639 36.925 0.714 18166 11200 1 18 . 1 1 100 100 TYR H H 100 6.984 6.984 7.222 -0.238 18166 11201 1 18 . 1 1 101 101 THR N N 101 113.752 113.752 111.857 1.895 18166 11202 1 18 . 1 1 101 101 THR HA H 101 4.008 4.008 4.015 -0.007 18166 11203 1 18 . 1 1 101 101 THR CA C 101 65.857 65.857 65.903 -0.046 18166 11204 1 18 . 1 1 101 101 THR CB C 101 67.689 67.689 68.025 -0.336 18166 11205 1 18 . 1 1 101 101 THR H H 101 8.543 8.543 8.369 0.174 18166 11206 1 18 . 1 1 102 102 LYS N N 102 120.641 120.641 121.150 -0.509 18166 11207 1 18 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.646 -0.504 18166 11208 1 18 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.466 1.620 18166 11209 1 18 . 1 1 102 102 LYS CB C 102 32.179 32.179 31.823 0.356 18166 11210 1 18 . 1 1 102 102 LYS H H 102 7.348 7.348 7.717 -0.369 18166 11211 1 18 . 1 1 103 103 ALA N N 103 120.302 120.302 123.728 -3.426 18166 11212 1 18 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.858 -0.193 18166 11213 1 18 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.174 0.482 18166 11214 1 18 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.414 0.475 18166 11215 1 18 . 1 1 103 103 ALA H H 103 8.344 8.344 8.328 0.016 18166 11216 1 18 . 1 1 104 104 MET N N 104 116.430 116.430 117.125 -0.695 18166 11217 1 18 . 1 1 104 104 MET HA H 104 3.939 3.939 4.430 -0.491 18166 11218 1 18 . 1 1 104 104 MET CA C 104 61.020 61.020 59.989 1.031 18166 11219 1 18 . 1 1 104 104 MET CB C 104 33.904 33.904 32.478 1.426 18166 11220 1 18 . 1 1 104 104 MET H H 104 8.375 8.375 8.314 0.061 18166 11221 1 18 . 1 1 105 105 ASP N N 105 117.449 117.449 119.424 -1.975 18166 11222 1 18 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.426 0.084 18166 11223 1 18 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.663 -0.550 18166 11224 1 18 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.479 -0.270 18166 11225 1 18 . 1 1 105 105 ASP H H 105 7.319 7.319 7.861 -0.542 18166 11226 1 18 . 1 1 106 106 VAL N N 106 121.168 121.168 119.922 1.246 18166 11227 1 18 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.911 -0.161 18166 11228 1 18 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.070 0.909 18166 11229 1 18 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.424 -0.663 18166 11230 1 18 . 1 1 106 106 VAL H H 106 7.825 7.825 7.643 0.182 18166 11231 1 18 . 1 1 107 107 TYR N N 107 120.714 120.714 119.701 1.013 18166 11232 1 18 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.154 0.117 18166 11233 1 18 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.926 0.527 18166 11234 1 18 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.344 0.810 18166 11235 1 18 . 1 1 107 107 TYR H H 107 9.215 9.215 8.502 0.713 18166 11236 1 18 . 1 1 108 108 GLN N N 108 117.293 117.293 118.610 -1.317 18166 11237 1 18 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.884 -0.051 18166 11238 1 18 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.821 -0.119 18166 11239 1 18 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.226 0.019 18166 11240 1 18 . 1 1 108 108 GLN H H 108 8.605 8.605 7.738 0.867 18166 11241 1 18 . 1 1 109 109 LYS N N 109 120.342 120.342 118.610 1.732 18166 11242 1 18 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.923 0.079 18166 11243 1 18 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.415 0.122 18166 11244 1 18 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.726 -0.704 18166 11245 1 18 . 1 1 109 109 LYS H H 109 7.571 7.571 8.022 -0.451 18166 11246 1 18 . 1 1 110 110 ALA N N 110 119.851 119.851 121.929 -2.078 18166 11247 1 18 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.972 -0.193 18166 11248 1 18 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.888 0.164 18166 11249 1 18 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.138 -0.450 18166 11250 1 18 . 1 1 110 110 ALA H H 110 7.693 7.693 7.734 -0.041 18166 11251 1 18 . 1 1 111 111 LEU N N 111 117.859 117.859 117.728 0.131 18166 11252 1 18 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.223 -0.146 18166 11253 1 18 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.007 -0.796 18166 11254 1 18 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.653 0.156 18166 11255 1 18 . 1 1 111 111 LEU H H 111 7.811 7.811 7.977 -0.166 18166 11256 1 18 . 1 1 112 112 ASP N N 112 118.421 118.421 119.683 -1.262 18166 11257 1 18 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.404 -0.153 18166 11258 1 18 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.898 -1.136 18166 11259 1 18 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.321 -2.126 18166 11260 1 18 . 1 1 112 112 ASP H H 112 8.099 8.099 7.791 0.308 18166 11261 1 18 . 1 1 113 113 LEU N N 113 120.299 120.299 118.994 1.305 18166 11262 1 18 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.038 0.119 18166 11263 1 18 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.742 -0.208 18166 11264 1 18 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.656 -0.177 18166 11265 1 18 . 1 1 113 113 LEU H H 113 7.319 7.319 7.780 -0.461 18166 11266 1 18 . 1 1 114 114 ASP N N 114 118.196 118.196 115.246 2.950 18166 11267 1 18 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.755 -0.117 18166 11268 1 18 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.537 -0.349 18166 11269 1 18 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.277 -1.010 18166 11270 1 18 . 1 1 114 114 ASP H H 114 8.190 8.190 7.649 0.541 18166 11271 1 18 . 1 1 115 115 SER N N 115 121.421 121.421 122.397 -0.976 18166 11272 1 18 . 1 1 115 115 SER HA H 115 4.272 4.272 4.199 0.073 18166 11273 1 18 . 1 1 115 115 SER CA C 115 60.133 60.133 61.066 -0.933 18166 11274 1 18 . 1 1 115 115 SER CB C 115 62.791 62.791 63.052 -0.261 18166 11275 1 18 . 1 1 115 115 SER H H 115 8.775 8.775 8.715 0.060 18166 11276 1 18 . 1 1 116 116 SER N N 116 116.860 116.860 117.373 -0.513 18166 11277 1 18 . 1 1 116 116 SER HA H 116 4.481 4.481 4.284 0.197 18166 11278 1 18 . 1 1 116 116 SER CA C 116 57.961 57.961 59.303 -1.342 18166 11279 1 18 . 1 1 116 116 SER CB C 116 63.960 63.960 62.719 1.241 18166 11280 1 18 . 1 1 116 116 SER H H 116 8.404 8.404 7.979 0.425 18166 11281 1 18 . 1 1 117 117 CYS N N 117 121.814 121.814 121.350 0.464 18166 11282 1 18 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.424 -0.113 18166 11283 1 18 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.365 0.607 18166 11284 1 18 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.095 -0.229 18166 11285 1 18 . 1 1 117 117 CYS H H 117 7.401 7.401 7.694 -0.293 18166 11286 1 18 . 1 1 118 118 LYS N N 118 105.939 105.939 120.516 -14.577 18166 11287 1 18 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.874 0.098 18166 11288 1 18 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.024 -0.157 18166 11289 1 18 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.442 0.914 18166 11290 1 18 . 1 1 118 118 LYS H H 118 8.647 8.647 8.014 0.633 18166 11291 1 18 . 1 1 119 119 GLU N N 119 117.724 117.724 118.178 -0.454 18166 11292 1 18 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.083 0.048 18166 11293 1 18 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.868 0.132 18166 11294 1 18 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.866 0.606 18166 11295 1 18 . 1 1 119 119 GLU H H 119 8.998 8.998 8.333 0.665 18166 11296 1 18 . 1 1 120 120 ALA N N 120 120.855 120.855 121.755 -0.900 18166 11297 1 18 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.191 0.177 18166 11298 1 18 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.721 -1.415 18166 11299 1 18 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.633 -0.520 18166 11300 1 18 . 1 1 120 120 ALA H H 120 7.494 7.494 8.434 -0.940 18166 11301 1 18 . 1 1 121 121 ALA N N 121 123.265 123.265 120.846 2.419 18166 11302 1 18 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.035 -0.040 18166 11303 1 18 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.913 -0.120 18166 11304 1 18 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.446 -0.642 18166 11305 1 18 . 1 1 121 121 ALA H H 121 7.914 7.914 7.349 0.565 18166 11306 1 18 . 1 1 122 122 ASP N N 122 118.732 118.732 118.344 0.388 18166 11307 1 18 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.370 -0.099 18166 11308 1 18 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.270 -1.028 18166 11309 1 18 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.846 -1.731 18166 11310 1 18 . 1 1 122 122 ASP H H 122 8.964 8.964 7.915 1.049 18166 11311 1 18 . 1 1 123 123 GLY N N 123 108.568 108.568 107.046 1.522 18166 11312 1 18 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.324 0.290 18166 11313 1 18 . 1 1 123 123 GLY H H 123 7.572 7.572 7.461 0.111 18166 11314 1 18 . 1 1 124 124 TYR N N 124 122.944 122.944 122.652 0.292 18166 11315 1 18 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.723 -0.109 18166 11316 1 18 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.010 3.174 18166 11317 1 18 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.035 -0.138 18166 11318 1 18 . 1 1 124 124 TYR H H 124 8.162 8.162 7.608 0.554 18166 11319 1 18 . 1 1 125 125 GLN N N 125 115.988 115.988 116.597 -0.609 18166 11320 1 18 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.583 0.292 18166 11321 1 18 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.909 -0.289 18166 11322 1 18 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.669 0.468 18166 11323 1 18 . 1 1 125 125 GLN H H 125 7.510 7.510 7.725 -0.215 18166 11324 1 18 . 1 1 126 126 ARG N N 126 118.626 118.626 119.224 -0.598 18166 11325 1 18 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.094 -0.161 18166 11326 1 18 . 1 1 126 126 ARG CA C 126 59.817 59.817 57.779 2.038 18166 11327 1 18 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.617 1.474 18166 11328 1 18 . 1 1 126 126 ARG H H 126 8.139 8.139 7.456 0.683 18166 11329 1 18 . 1 1 127 127 CYS N N 127 116.985 116.985 117.910 -0.925 18166 11330 1 18 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.138 -0.249 18166 11331 1 18 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.466 1.497 18166 11332 1 18 . 1 1 127 127 CYS CB C 127 27.766 27.766 28.055 -0.288 18166 11333 1 18 . 1 1 127 127 CYS H H 127 8.097 8.097 7.713 0.384 18166 11334 1 18 . 1 1 128 128 MET N N 128 120.493 120.493 119.985 0.508 18166 11335 1 18 . 1 1 128 128 MET HA H 128 3.989 3.989 3.868 0.121 18166 11336 1 18 . 1 1 128 128 MET CA C 128 58.420 58.420 58.603 -0.183 18166 11337 1 18 . 1 1 128 128 MET CB C 128 31.539 31.539 32.094 -0.555 18166 11338 1 18 . 1 1 128 128 MET H H 128 8.163 8.163 8.080 0.083 18166 11339 1 18 . 1 1 129 129 MET N N 129 115.583 115.583 117.077 -1.494 18166 11340 1 18 . 1 1 129 129 MET HA H 129 4.211 4.211 4.293 -0.082 18166 11341 1 18 . 1 1 129 129 MET CA C 129 56.677 56.677 57.763 -1.086 18166 11342 1 18 . 1 1 129 129 MET CB C 129 31.951 31.951 32.141 -0.190 18166 11343 1 18 . 1 1 129 129 MET H H 129 7.723 7.723 7.613 0.110 18166 11344 1 18 . 1 1 130 130 ALA N N 130 121.061 121.061 121.689 -0.628 18166 11345 1 18 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.856 0.052 18166 11346 1 18 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.080 -1.000 18166 11347 1 18 . 1 1 130 130 ALA CB C 130 16.504 16.504 18.109 -1.605 18166 11348 1 18 . 1 1 130 130 ALA H H 130 7.458 7.458 7.519 -0.061 18166 11349 1 18 . 1 1 131 131 GLN N N 131 114.560 114.560 116.572 -2.012 18166 11350 1 18 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.143 -0.137 18166 11351 1 18 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.996 -1.193 18166 11352 1 18 . 1 1 131 131 GLN CB C 131 29.105 29.105 28.993 0.112 18166 11353 1 18 . 1 1 131 131 GLN H H 131 7.214 7.214 7.298 -0.084 18166 11354 1 18 . 1 1 132 132 TYR N N 132 117.856 117.856 117.788 0.068 18166 11355 1 18 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.693 -0.051 18166 11356 1 18 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.715 1.843 18166 11357 1 18 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.757 1.555 18166 11358 1 18 . 1 1 132 132 TYR H H 132 7.545 7.545 7.350 0.195 18166 11359 1 19 . 1 1 2 2 GLY N N 2 109.986 109.986 108.466 1.520 18166 11360 1 19 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.052 -0.242 18166 11361 1 19 . 1 1 2 2 GLY H H 2 8.520 8.520 8.399 0.121 18166 11362 1 19 . 1 1 3 3 HIS N N 3 117.442 117.442 116.994 0.448 18166 11363 1 19 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.290 0.330 18166 11364 1 19 . 1 1 3 3 HIS CB C 3 28.428 28.428 29.450 -1.022 18166 11365 1 19 . 1 1 3 3 HIS H H 3 8.406 8.406 8.403 0.003 18166 11366 1 19 . 1 1 4 4 HIS N N 4 118.932 118.932 120.843 -1.911 18166 11367 1 19 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.398 0.230 18166 11368 1 19 . 1 1 4 4 HIS CA C 4 54.907 54.907 57.077 -2.170 18166 11369 1 19 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.312 -2.114 18166 11370 1 19 . 1 1 4 4 HIS H H 4 8.552 8.552 8.187 0.365 18166 11371 1 19 . 1 1 5 5 HIS N N 5 119.580 119.580 119.791 -0.211 18166 11372 1 19 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.566 0.082 18166 11373 1 19 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.598 -0.465 18166 11374 1 19 . 1 1 5 5 HIS CB C 5 28.761 28.761 28.698 0.063 18166 11375 1 19 . 1 1 5 5 HIS H H 5 8.615 8.615 8.264 0.351 18166 11376 1 19 . 1 1 6 6 HIS N N 6 121.369 121.369 125.659 -4.290 18166 11377 1 19 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.742 -0.094 18166 11378 1 19 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.062 -0.113 18166 11379 1 19 . 1 1 6 6 HIS CB C 6 29.100 29.100 31.810 -2.710 18166 11380 1 19 . 1 1 6 6 HIS H H 6 8.732 8.732 7.749 0.983 18166 11381 1 19 . 1 1 7 7 HIS N N 7 120.276 120.276 125.581 -5.305 18166 11382 1 19 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.136 0.506 18166 11383 1 19 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.940 -1.793 18166 11384 1 19 . 1 1 7 7 HIS CB C 7 28.825 28.825 29.128 -0.303 18166 11385 1 19 . 1 1 7 7 HIS H H 7 8.708 8.708 8.347 0.361 18166 11386 1 19 . 1 1 8 8 HIS N N 8 120.007 120.007 123.940 -3.933 18166 11387 1 19 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.113 0.583 18166 11388 1 19 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.287 -1.426 18166 11389 1 19 . 1 1 8 8 HIS CB C 8 28.696 28.696 28.338 0.358 18166 11390 1 19 . 1 1 8 8 HIS H H 8 8.708 8.708 8.237 0.471 18166 11391 1 19 . 1 1 9 9 SER N N 9 117.977 117.977 115.429 2.548 18166 11392 1 19 . 1 1 9 9 SER HA H 9 4.404 4.404 4.368 0.036 18166 11393 1 19 . 1 1 9 9 SER CA C 9 57.718 57.718 58.407 -0.689 18166 11394 1 19 . 1 1 9 9 SER CB C 9 63.246 63.246 62.964 0.282 18166 11395 1 19 . 1 1 9 9 SER H H 9 8.535 8.535 8.295 0.240 18166 11396 1 19 . 1 1 10 10 HIS N N 10 120.441 120.441 127.924 -7.483 18166 11397 1 19 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.579 0.116 18166 11398 1 19 . 1 1 10 10 HIS H H 10 8.744 8.744 8.488 0.256 18166 11399 1 19 . 1 1 11 11 MET N N 11 122.004 122.004 118.089 3.915 18166 11400 1 19 . 1 1 11 11 MET HA H 11 4.427 4.427 4.379 0.048 18166 11401 1 19 . 1 1 11 11 MET CA C 11 54.665 54.665 55.893 -1.228 18166 11402 1 19 . 1 1 11 11 MET CB C 11 32.913 32.913 33.627 -0.714 18166 11403 1 19 . 1 1 11 11 MET H H 11 8.443 8.443 7.643 0.800 18166 11404 1 19 . 1 1 12 12 ASN N N 12 121.852 121.852 118.383 3.469 18166 11405 1 19 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.445 0.492 18166 11406 1 19 . 1 1 12 12 ASN CA C 12 51.380 51.380 53.292 -1.912 18166 11407 1 19 . 1 1 12 12 ASN CB C 12 38.313 38.313 37.955 0.358 18166 11408 1 19 . 1 1 12 12 ASN H H 12 8.631 8.631 7.857 0.774 18166 11409 1 19 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.345 0.015 18166 11410 1 19 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.409 -1.260 18166 11411 1 19 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.113 -0.361 18166 11412 1 19 . 1 1 14 14 ASP N N 14 119.643 119.643 115.917 3.726 18166 11413 1 19 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.637 -0.094 18166 11414 1 19 . 1 1 14 14 ASP CA C 14 54.028 54.028 54.035 -0.007 18166 11415 1 19 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.181 -1.419 18166 11416 1 19 . 1 1 14 14 ASP H H 14 8.344 8.344 7.599 0.745 18166 11417 1 19 . 1 1 15 15 LEU N N 15 123.333 123.333 125.996 -2.663 18166 11418 1 19 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.098 0.051 18166 11419 1 19 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.146 -0.703 18166 11420 1 19 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.941 -0.565 18166 11421 1 19 . 1 1 15 15 LEU H H 15 8.119 8.119 8.713 -0.594 18166 11422 1 19 . 1 1 16 16 ALA N N 16 121.879 121.879 121.090 0.789 18166 11423 1 19 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.110 0.004 18166 11424 1 19 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.696 -1.326 18166 11425 1 19 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.291 -0.243 18166 11426 1 19 . 1 1 16 16 ALA H H 16 8.212 8.212 7.900 0.312 18166 11427 1 19 . 1 1 17 17 LEU N N 17 118.990 118.990 115.083 3.907 18166 11428 1 19 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.374 -0.235 18166 11429 1 19 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.046 -0.937 18166 11430 1 19 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.819 -0.444 18166 11431 1 19 . 1 1 17 17 LEU H H 17 7.719 7.719 7.638 0.081 18166 11432 1 19 . 1 1 18 18 MET N N 18 118.534 118.534 117.617 0.917 18166 11433 1 19 . 1 1 18 18 MET HA H 18 4.274 4.274 4.327 -0.053 18166 11434 1 19 . 1 1 18 18 MET CA C 18 56.497 56.497 56.414 0.083 18166 11435 1 19 . 1 1 18 18 MET CB C 18 31.787 31.787 31.982 -0.195 18166 11436 1 19 . 1 1 18 18 MET H H 18 7.996 7.996 7.572 0.424 18166 11437 1 19 . 1 1 19 19 VAL N N 19 119.243 119.243 119.600 -0.357 18166 11438 1 19 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.761 0.072 18166 11439 1 19 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.380 -1.646 18166 11440 1 19 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.681 -0.025 18166 11441 1 19 . 1 1 19 19 VAL H H 19 7.915 7.915 7.632 0.283 18166 11442 1 19 . 1 1 20 20 LYS N N 20 123.321 123.321 118.949 4.372 18166 11443 1 19 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.086 -0.109 18166 11444 1 19 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.769 -1.426 18166 11445 1 19 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.606 0.390 18166 11446 1 19 . 1 1 20 20 LYS H H 20 8.139 8.139 7.651 0.488 18166 11447 1 19 . 1 1 21 21 ASN N N 21 118.732 118.732 119.280 -0.548 18166 11448 1 19 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.709 -0.131 18166 11449 1 19 . 1 1 21 21 ASN CA C 21 54.240 54.240 55.836 -1.596 18166 11450 1 19 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.334 -0.595 18166 11451 1 19 . 1 1 21 21 ASN H H 21 8.349 8.349 7.619 0.730 18166 11452 1 19 . 1 1 22 22 LYS N N 22 121.941 121.941 119.535 2.406 18166 11453 1 19 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.540 -0.516 18166 11454 1 19 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.755 -0.445 18166 11455 1 19 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.864 -0.345 18166 11456 1 19 . 1 1 22 22 LYS H H 22 8.185 8.185 7.350 0.835 18166 11457 1 19 . 1 1 23 23 GLY N N 23 107.792 107.792 108.785 -0.993 18166 11458 1 19 . 1 1 23 23 GLY CA C 23 47.766 47.766 47.279 0.487 18166 11459 1 19 . 1 1 23 23 GLY H H 23 8.336 8.336 8.086 0.250 18166 11460 1 19 . 1 1 24 24 ASN N N 24 120.049 120.049 121.274 -1.225 18166 11461 1 19 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.700 -0.116 18166 11462 1 19 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.615 -0.414 18166 11463 1 19 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.539 -0.969 18166 11464 1 19 . 1 1 24 24 ASN H H 24 8.337 8.337 8.329 0.008 18166 11465 1 19 . 1 1 25 25 GLU N N 25 121.510 121.510 121.336 0.174 18166 11466 1 19 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.139 -0.092 18166 11467 1 19 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.214 -0.238 18166 11468 1 19 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.429 -0.326 18166 11469 1 19 . 1 1 25 25 GLU H H 25 8.366 8.366 7.820 0.546 18166 11470 1 19 . 1 1 26 26 CYS N N 26 116.512 116.512 118.509 -1.997 18166 11471 1 19 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.103 -0.001 18166 11472 1 19 . 1 1 26 26 CYS CA C 26 63.004 63.004 62.800 0.204 18166 11473 1 19 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.141 0.115 18166 11474 1 19 . 1 1 26 26 CYS H H 26 8.092 8.092 7.989 0.103 18166 11475 1 19 . 1 1 27 27 PHE N N 27 122.066 122.066 120.901 1.165 18166 11476 1 19 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.141 -0.389 18166 11477 1 19 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.436 0.044 18166 11478 1 19 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.817 1.085 18166 11479 1 19 . 1 1 27 27 PHE H H 27 8.756 8.756 7.896 0.860 18166 11480 1 19 . 1 1 28 28 GLN N N 28 119.430 119.430 117.400 2.030 18166 11481 1 19 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.017 -0.001 18166 11482 1 19 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.772 0.353 18166 11483 1 19 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.348 -0.138 18166 11484 1 19 . 1 1 28 28 GLN H H 28 8.574 8.574 7.882 0.692 18166 11485 1 19 . 1 1 29 29 LYS N N 29 116.011 116.011 116.633 -0.622 18166 11486 1 19 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.220 0.024 18166 11487 1 19 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.951 0.147 18166 11488 1 19 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.594 -0.058 18166 11489 1 19 . 1 1 29 29 LYS H H 29 7.410 7.410 7.569 -0.159 18166 11490 1 19 . 1 1 30 30 GLY N N 30 107.636 107.636 106.746 0.890 18166 11491 1 19 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.858 -0.275 18166 11492 1 19 . 1 1 30 30 GLY H H 30 7.566 7.566 7.778 -0.212 18166 11493 1 19 . 1 1 31 31 ASP N N 31 120.587 120.587 123.806 -3.219 18166 11494 1 19 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.833 -0.165 18166 11495 1 19 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.657 -2.616 18166 11496 1 19 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.307 -0.589 18166 11497 1 19 . 1 1 31 31 ASP H H 31 7.826 7.826 7.870 -0.044 18166 11498 1 19 . 1 1 32 32 TYR N N 32 120.190 120.190 122.987 -2.797 18166 11499 1 19 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.213 -0.441 18166 11500 1 19 . 1 1 32 32 TYR CA C 32 62.254 62.254 62.572 -0.318 18166 11501 1 19 . 1 1 32 32 TYR H H 32 7.313 7.313 8.006 -0.693 18166 11502 1 19 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.279 -0.059 18166 11503 1 19 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.673 0.682 18166 11504 1 19 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.506 -0.219 18166 11505 1 19 . 1 1 34 34 GLN N N 34 115.797 115.797 118.171 -2.374 18166 11506 1 19 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.903 0.022 18166 11507 1 19 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.693 -0.529 18166 11508 1 19 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.441 0.937 18166 11509 1 19 . 1 1 34 34 GLN H H 34 7.278 7.278 8.456 -1.178 18166 11510 1 19 . 1 1 35 35 ALA N N 35 121.852 121.852 122.230 -0.378 18166 11511 1 19 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.934 0.138 18166 11512 1 19 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.842 0.755 18166 11513 1 19 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.139 0.406 18166 11514 1 19 . 1 1 35 35 ALA H H 35 8.376 8.376 7.761 0.615 18166 11515 1 19 . 1 1 36 36 MET N N 36 116.867 116.867 116.086 0.781 18166 11516 1 19 . 1 1 36 36 MET HA H 36 3.887 3.887 4.003 -0.116 18166 11517 1 19 . 1 1 36 36 MET CA C 36 59.400 59.400 59.367 0.033 18166 11518 1 19 . 1 1 36 36 MET CB C 36 30.626 30.626 32.468 -1.841 18166 11519 1 19 . 1 1 36 36 MET H H 36 8.538 8.538 7.661 0.877 18166 11520 1 19 . 1 1 37 37 LYS N N 37 122.037 122.037 118.304 3.733 18166 11521 1 19 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.034 -0.122 18166 11522 1 19 . 1 1 37 37 LYS CA C 37 59.225 59.225 58.995 0.230 18166 11523 1 19 . 1 1 37 37 LYS CB C 37 32.196 32.196 31.992 0.204 18166 11524 1 19 . 1 1 37 37 LYS H H 37 7.599 7.599 7.534 0.065 18166 11525 1 19 . 1 1 38 38 HIS N N 38 117.718 117.718 118.757 -1.039 18166 11526 1 19 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.311 0.324 18166 11527 1 19 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.886 -0.886 18166 11528 1 19 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.489 -1.489 18166 11529 1 19 . 1 1 38 38 HIS H H 38 7.908 7.908 7.713 0.195 18166 11530 1 19 . 1 1 39 39 TYR N N 39 118.987 118.987 118.591 0.396 18166 11531 1 19 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.411 0.054 18166 11532 1 19 . 1 1 39 39 TYR CA C 39 60.253 60.253 58.984 1.268 18166 11533 1 19 . 1 1 39 39 TYR CB C 39 36.791 36.791 36.862 -0.071 18166 11534 1 19 . 1 1 39 39 TYR H H 39 9.156 9.156 8.005 1.151 18166 11535 1 19 . 1 1 40 40 THR N N 40 117.147 117.147 116.855 0.292 18166 11536 1 19 . 1 1 40 40 THR HA H 40 3.872 3.872 3.832 0.040 18166 11537 1 19 . 1 1 40 40 THR CA C 40 67.449 67.449 66.878 0.571 18166 11538 1 19 . 1 1 40 40 THR CB C 40 68.728 68.728 68.471 0.257 18166 11539 1 19 . 1 1 40 40 THR H H 40 8.476 8.476 8.038 0.438 18166 11540 1 19 . 1 1 41 41 GLU N N 41 122.067 122.067 121.729 0.338 18166 11541 1 19 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.026 -0.047 18166 11542 1 19 . 1 1 41 41 GLU CA C 41 58.745 58.745 59.132 -0.387 18166 11543 1 19 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.315 -0.592 18166 11544 1 19 . 1 1 41 41 GLU H H 41 7.762 7.762 7.665 0.097 18166 11545 1 19 . 1 1 42 42 ALA N N 42 122.040 122.040 120.478 1.562 18166 11546 1 19 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.121 -0.152 18166 11547 1 19 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.632 0.537 18166 11548 1 19 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.453 -0.083 18166 11549 1 19 . 1 1 42 42 ALA H H 42 8.191 8.191 7.379 0.812 18166 11550 1 19 . 1 1 43 43 ILE N N 43 122.662 122.662 117.418 5.244 18166 11551 1 19 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.698 -0.382 18166 11552 1 19 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.675 0.923 18166 11553 1 19 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.977 0.510 18166 11554 1 19 . 1 1 43 43 ILE H H 43 8.427 8.427 7.885 0.542 18166 11555 1 19 . 1 1 44 44 LYS N N 44 117.349 117.349 117.138 0.211 18166 11556 1 19 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.136 -0.195 18166 11557 1 19 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.888 0.813 18166 11558 1 19 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.099 -0.108 18166 11559 1 19 . 1 1 44 44 LYS H H 44 7.473 7.473 7.515 -0.042 18166 11560 1 19 . 1 1 45 45 ARG N N 45 114.723 114.723 115.957 -1.234 18166 11561 1 19 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.381 -0.208 18166 11562 1 19 . 1 1 45 45 ARG CA C 45 57.406 57.406 56.880 0.526 18166 11563 1 19 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.218 -0.881 18166 11564 1 19 . 1 1 45 45 ARG H H 45 7.150 7.150 7.572 -0.422 18166 11565 1 19 . 1 1 46 46 ASN N N 46 115.919 115.919 115.518 0.401 18166 11566 1 19 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.063 0.010 18166 11567 1 19 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.261 -0.104 18166 11568 1 19 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.437 -0.806 18166 11569 1 19 . 1 1 46 46 ASN H H 46 7.885 7.885 8.142 -0.257 18166 11570 1 19 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.682 0.050 18166 11571 1 19 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.592 -0.387 18166 11572 1 19 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.177 -0.223 18166 11573 1 19 . 1 1 48 48 LYS N N 48 118.494 118.494 118.443 0.051 18166 11574 1 19 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.244 0.391 18166 11575 1 19 . 1 1 48 48 LYS CA C 48 55.000 55.000 57.555 -2.555 18166 11576 1 19 . 1 1 48 48 LYS CB C 48 31.427 31.427 32.047 -0.620 18166 11577 1 19 . 1 1 48 48 LYS H H 48 8.154 8.154 8.216 -0.062 18166 11578 1 19 . 1 1 49 49 ASP N N 49 119.387 119.387 121.483 -2.096 18166 11579 1 19 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.633 0.057 18166 11580 1 19 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.652 -1.774 18166 11581 1 19 . 1 1 49 49 ASP CB C 49 40.026 40.026 41.181 -1.155 18166 11582 1 19 . 1 1 49 49 ASP H H 49 7.317 7.317 7.573 -0.256 18166 11583 1 19 . 1 1 50 50 ALA N N 50 128.206 128.206 128.131 0.075 18166 11584 1 19 . 1 1 50 50 ALA HA H 50 4.041 4.041 3.950 0.091 18166 11585 1 19 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.408 0.156 18166 11586 1 19 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.410 1.681 18166 11587 1 19 . 1 1 50 50 ALA H H 50 8.466 8.466 8.129 0.337 18166 11588 1 19 . 1 1 51 51 LYS N N 51 113.628 113.628 115.779 -2.151 18166 11589 1 19 . 1 1 51 51 LYS HA H 51 3.877 3.877 3.877 -0.000 18166 11590 1 19 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.350 0.964 18166 11591 1 19 . 1 1 51 51 LYS CB C 51 31.320 31.320 30.872 0.448 18166 11592 1 19 . 1 1 51 51 LYS H H 51 7.985 7.985 7.825 0.160 18166 11593 1 19 . 1 1 52 52 LEU N N 52 117.207 117.207 119.940 -2.733 18166 11594 1 19 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.603 0.069 18166 11595 1 19 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.388 -0.110 18166 11596 1 19 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.516 1.576 18166 11597 1 19 . 1 1 52 52 LEU H H 52 7.323 7.323 7.377 -0.054 18166 11598 1 19 . 1 1 53 53 TYR N N 53 116.167 116.167 117.053 -0.886 18166 11599 1 19 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.279 -0.401 18166 11600 1 19 . 1 1 53 53 TYR CA C 53 61.573 61.573 60.789 0.784 18166 11601 1 19 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.805 0.342 18166 11602 1 19 . 1 1 53 53 TYR H H 53 6.955 6.955 7.280 -0.325 18166 11603 1 19 . 1 1 54 54 SER N N 54 112.799 112.799 114.941 -2.142 18166 11604 1 19 . 1 1 54 54 SER HA H 54 3.976 3.976 4.321 -0.345 18166 11605 1 19 . 1 1 54 54 SER CA C 54 61.200 61.200 59.888 1.312 18166 11606 1 19 . 1 1 54 54 SER CB C 54 62.184 62.184 62.981 -0.797 18166 11607 1 19 . 1 1 54 54 SER H H 54 7.661 7.661 8.208 -0.547 18166 11608 1 19 . 1 1 55 55 ASN N N 55 119.126 119.126 120.116 -0.990 18166 11609 1 19 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.327 -0.228 18166 11610 1 19 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.057 0.184 18166 11611 1 19 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.639 -1.362 18166 11612 1 19 . 1 1 55 55 ASN H H 55 7.729 7.729 7.812 -0.083 18166 11613 1 19 . 1 1 56 56 ARG N N 56 122.589 122.589 120.275 2.314 18166 11614 1 19 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.836 0.297 18166 11615 1 19 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.681 2.879 18166 11616 1 19 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.545 -0.476 18166 11617 1 19 . 1 1 56 56 ARG H H 56 8.329 8.329 7.659 0.670 18166 11618 1 19 . 1 1 57 57 ALA N N 57 122.569 122.569 120.905 1.664 18166 11619 1 19 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.305 -0.045 18166 11620 1 19 . 1 1 57 57 ALA CA C 57 56.075 56.075 55.085 0.990 18166 11621 1 19 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.319 1.570 18166 11622 1 19 . 1 1 57 57 ALA H H 57 8.857 8.857 8.059 0.798 18166 11623 1 19 . 1 1 58 58 ALA N N 58 120.015 120.015 119.791 0.224 18166 11624 1 19 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.246 -0.163 18166 11625 1 19 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.009 1.041 18166 11626 1 19 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.104 -0.280 18166 11627 1 19 . 1 1 58 58 ALA H H 58 7.574 7.574 7.803 -0.229 18166 11628 1 19 . 1 1 59 59 CYS N N 59 117.074 117.074 118.044 -0.970 18166 11629 1 19 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.587 -0.525 18166 11630 1 19 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.561 1.684 18166 11631 1 19 . 1 1 59 59 CYS CB C 59 26.827 26.827 28.181 -1.354 18166 11632 1 19 . 1 1 59 59 CYS H H 59 7.523 7.523 7.510 0.013 18166 11633 1 19 . 1 1 60 60 TYR N N 60 118.554 118.554 119.076 -0.522 18166 11634 1 19 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.181 0.106 18166 11635 1 19 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.479 0.425 18166 11636 1 19 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.507 0.770 18166 11637 1 19 . 1 1 60 60 TYR H H 60 8.684 8.684 8.128 0.556 18166 11638 1 19 . 1 1 61 61 THR N N 61 116.951 116.951 112.223 4.728 18166 11639 1 19 . 1 1 61 61 THR HA H 61 4.264 4.264 2.613 1.651 18166 11640 1 19 . 1 1 61 61 THR CA C 61 67.645 67.645 65.656 1.989 18166 11641 1 19 . 1 1 61 61 THR CB C 61 67.784 67.784 68.124 -0.340 18166 11642 1 19 . 1 1 61 61 THR H H 61 8.572 8.572 8.020 0.552 18166 11643 1 19 . 1 1 62 62 LYS N N 62 122.578 122.578 120.804 1.774 18166 11644 1 19 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.187 -0.263 18166 11645 1 19 . 1 1 62 62 LYS CA C 62 57.206 57.206 57.911 -0.705 18166 11646 1 19 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.992 -1.198 18166 11647 1 19 . 1 1 62 62 LYS H H 62 7.410 7.410 7.645 -0.235 18166 11648 1 19 . 1 1 63 63 LEU N N 63 117.404 117.404 118.459 -1.055 18166 11649 1 19 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.405 -0.189 18166 11650 1 19 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.643 -0.598 18166 11651 1 19 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.258 -0.615 18166 11652 1 19 . 1 1 63 63 LEU H H 63 7.397 7.397 7.595 -0.198 18166 11653 1 19 . 1 1 64 64 LEU N N 64 113.668 113.668 115.434 -1.766 18166 11654 1 19 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.361 -1.391 18166 11655 1 19 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.602 -1.784 18166 11656 1 19 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.160 -1.909 18166 11657 1 19 . 1 1 64 64 LEU H H 64 7.457 7.457 7.776 -0.319 18166 11658 1 19 . 1 1 65 65 GLU N N 65 120.636 120.636 120.049 0.587 18166 11659 1 19 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.529 -0.126 18166 11660 1 19 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.903 -1.673 18166 11661 1 19 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.398 -0.308 18166 11662 1 19 . 1 1 65 65 GLU H H 65 8.085 8.085 8.278 -0.193 18166 11663 1 19 . 1 1 66 66 PHE N N 66 118.292 118.292 120.286 -1.994 18166 11664 1 19 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.144 -0.118 18166 11665 1 19 . 1 1 66 66 PHE CA C 66 60.989 60.989 61.998 -1.009 18166 11666 1 19 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.731 -0.448 18166 11667 1 19 . 1 1 66 66 PHE H H 66 6.812 6.812 7.864 -1.052 18166 11668 1 19 . 1 1 67 67 GLN N N 67 117.166 117.166 117.925 -0.759 18166 11669 1 19 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.062 -0.079 18166 11670 1 19 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.797 -0.119 18166 11671 1 19 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.941 -1.097 18166 11672 1 19 . 1 1 67 67 GLN H H 67 8.589 8.589 8.611 -0.022 18166 11673 1 19 . 1 1 68 68 LEU N N 68 119.871 119.871 119.285 0.586 18166 11674 1 19 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.031 -0.265 18166 11675 1 19 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.457 1.018 18166 11676 1 19 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.873 -2.853 18166 11677 1 19 . 1 1 68 68 LEU H H 68 7.422 7.422 7.845 -0.423 18166 11678 1 19 . 1 1 69 69 ALA N N 69 121.380 121.380 122.944 -1.564 18166 11679 1 19 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.148 -0.015 18166 11680 1 19 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.220 0.608 18166 11681 1 19 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.274 0.233 18166 11682 1 19 . 1 1 69 69 ALA H H 69 7.871 7.871 7.893 -0.022 18166 11683 1 19 . 1 1 70 70 LEU N N 70 118.569 118.569 118.048 0.521 18166 11684 1 19 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.813 0.001 18166 11685 1 19 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.848 0.731 18166 11686 1 19 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.437 -0.511 18166 11687 1 19 . 1 1 70 70 LEU H H 70 8.519 8.519 8.127 0.392 18166 11688 1 19 . 1 1 71 71 LYS N N 71 119.700 119.700 119.250 0.450 18166 11689 1 19 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.187 -0.210 18166 11690 1 19 . 1 1 71 71 LYS CA C 71 59.195 59.195 58.672 0.523 18166 11691 1 19 . 1 1 71 71 LYS H H 71 7.619 7.619 7.473 0.146 18166 11692 1 19 . 1 1 72 72 ASP N N 72 121.506 121.506 119.952 1.554 18166 11693 1 19 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.776 -0.162 18166 11694 1 19 . 1 1 72 72 ASP CA C 72 57.293 57.293 58.100 -0.807 18166 11695 1 19 . 1 1 72 72 ASP CB C 72 39.982 39.982 40.869 -0.887 18166 11696 1 19 . 1 1 72 72 ASP H H 72 7.460 7.460 8.276 -0.816 18166 11697 1 19 . 1 1 73 73 CYS N N 73 118.302 118.302 117.182 1.120 18166 11698 1 19 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.138 -0.304 18166 11699 1 19 . 1 1 73 73 CYS CA C 73 64.687 64.687 64.081 0.606 18166 11700 1 19 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.975 -1.429 18166 11701 1 19 . 1 1 73 73 CYS H H 73 8.366 8.366 7.623 0.743 18166 11702 1 19 . 1 1 74 74 GLU N N 74 117.660 117.660 120.344 -2.684 18166 11703 1 19 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.024 -0.123 18166 11704 1 19 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.848 -0.635 18166 11705 1 19 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.225 -1.209 18166 11706 1 19 . 1 1 74 74 GLU H H 74 8.244 8.244 8.280 -0.036 18166 11707 1 19 . 1 1 75 75 GLU N N 75 119.807 119.807 118.135 1.672 18166 11708 1 19 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.158 -0.265 18166 11709 1 19 . 1 1 75 75 GLU CA C 75 58.149 58.149 57.526 0.623 18166 11710 1 19 . 1 1 75 75 GLU CB C 75 26.674 26.674 30.056 -3.382 18166 11711 1 19 . 1 1 75 75 GLU H H 75 7.394 7.394 7.948 -0.554 18166 11712 1 19 . 1 1 76 76 CYS N N 76 118.342 118.342 119.894 -1.552 18166 11713 1 19 . 1 1 76 76 CYS HA H 76 3.841 3.841 4.008 -0.167 18166 11714 1 19 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.479 2.824 18166 11715 1 19 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.611 -0.240 18166 11716 1 19 . 1 1 76 76 CYS H H 76 7.852 7.852 7.773 0.079 18166 11717 1 19 . 1 1 77 77 ILE N N 77 117.728 117.728 119.370 -1.642 18166 11718 1 19 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.209 -0.729 18166 11719 1 19 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.873 0.336 18166 11720 1 19 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.685 0.864 18166 11721 1 19 . 1 1 77 77 ILE H H 77 7.897 7.897 7.441 0.456 18166 11722 1 19 . 1 1 78 78 GLN N N 78 117.037 117.037 118.185 -1.148 18166 11723 1 19 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.129 -0.224 18166 11724 1 19 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.937 0.277 18166 11725 1 19 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.863 -0.513 18166 11726 1 19 . 1 1 78 78 GLN H H 78 7.655 7.655 7.711 -0.056 18166 11727 1 19 . 1 1 79 79 LEU N N 79 118.180 118.180 118.682 -0.502 18166 11728 1 19 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.275 -0.180 18166 11729 1 19 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.127 0.388 18166 11730 1 19 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.749 1.295 18166 11731 1 19 . 1 1 79 79 LEU H H 79 8.021 8.021 7.169 0.852 18166 11732 1 19 . 1 1 80 80 GLU N N 80 117.250 117.250 117.150 0.100 18166 11733 1 19 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.774 0.062 18166 11734 1 19 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.375 0.167 18166 11735 1 19 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.952 -0.173 18166 11736 1 19 . 1 1 80 80 GLU H H 80 8.403 8.403 7.984 0.419 18166 11737 1 19 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.732 0.134 18166 11738 1 19 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.314 0.431 18166 11739 1 19 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.610 -0.858 18166 11740 1 19 . 1 1 82 82 THR N N 82 107.443 107.443 111.070 -3.627 18166 11741 1 19 . 1 1 82 82 THR HA H 82 4.607 4.607 4.235 0.372 18166 11742 1 19 . 1 1 82 82 THR CA C 82 61.139 61.139 60.491 0.648 18166 11743 1 19 . 1 1 82 82 THR CB C 82 68.785 68.785 68.749 0.036 18166 11744 1 19 . 1 1 82 82 THR H H 82 8.129 8.129 7.854 0.275 18166 11745 1 19 . 1 1 83 83 PHE N N 83 123.490 123.490 124.332 -0.842 18166 11746 1 19 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.495 0.635 18166 11747 1 19 . 1 1 83 83 PHE CA C 83 55.712 55.712 57.651 -1.939 18166 11748 1 19 . 1 1 83 83 PHE CB C 83 38.263 38.263 39.228 -0.966 18166 11749 1 19 . 1 1 83 83 PHE H H 83 8.022 8.022 7.443 0.579 18166 11750 1 19 . 1 1 84 84 ILE N N 84 131.837 131.837 128.875 2.962 18166 11751 1 19 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.441 0.509 18166 11752 1 19 . 1 1 84 84 ILE CA C 84 64.230 64.230 65.615 -1.385 18166 11753 1 19 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.492 0.477 18166 11754 1 19 . 1 1 84 84 ILE H H 84 8.955 8.955 8.090 0.865 18166 11755 1 19 . 1 1 85 85 LYS N N 85 115.465 115.465 118.930 -3.465 18166 11756 1 19 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.110 0.348 18166 11757 1 19 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.964 -2.628 18166 11758 1 19 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.354 0.127 18166 11759 1 19 . 1 1 85 85 LYS H H 85 6.000 6.000 7.774 -1.774 18166 11760 1 19 . 1 1 86 86 GLY N N 86 103.958 103.958 108.113 -4.155 18166 11761 1 19 . 1 1 86 86 GLY CA C 86 48.161 48.161 47.249 0.912 18166 11762 1 19 . 1 1 86 86 GLY H H 86 6.966 6.966 7.995 -1.029 18166 11763 1 19 . 1 1 87 87 TYR N N 87 115.851 115.851 122.066 -6.215 18166 11764 1 19 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.288 -0.348 18166 11765 1 19 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.782 -0.586 18166 11766 1 19 . 1 1 87 87 TYR CB C 87 38.233 38.233 38.309 -0.075 18166 11767 1 19 . 1 1 87 87 TYR H H 87 6.814 6.814 8.029 -1.215 18166 11768 1 19 . 1 1 88 88 THR N N 88 109.840 109.840 112.363 -2.523 18166 11769 1 19 . 1 1 88 88 THR HA H 88 4.328 4.328 4.182 0.146 18166 11770 1 19 . 1 1 88 88 THR CA C 88 66.353 66.353 65.523 0.830 18166 11771 1 19 . 1 1 88 88 THR CB C 88 66.371 66.371 68.552 -2.181 18166 11772 1 19 . 1 1 88 88 THR H H 88 8.318 8.318 8.242 0.076 18166 11773 1 19 . 1 1 89 89 ARG N N 89 121.855 121.855 120.219 1.636 18166 11774 1 19 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.317 -0.240 18166 11775 1 19 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.017 2.011 18166 11776 1 19 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.547 -0.274 18166 11777 1 19 . 1 1 89 89 ARG H H 89 8.320 8.320 8.014 0.306 18166 11778 1 19 . 1 1 90 90 LYS N N 90 124.436 124.436 121.370 3.066 18166 11779 1 19 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.110 -0.181 18166 11780 1 19 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.696 1.167 18166 11781 1 19 . 1 1 90 90 LYS H H 90 7.379 7.379 7.960 -0.581 18166 11782 1 19 . 1 1 91 91 ALA N N 91 121.179 121.179 120.087 1.092 18166 11783 1 19 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.861 -0.369 18166 11784 1 19 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.735 0.318 18166 11785 1 19 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.541 -2.096 18166 11786 1 19 . 1 1 91 91 ALA H H 91 8.460 8.460 7.882 0.578 18166 11787 1 19 . 1 1 92 92 ALA N N 92 118.165 118.165 121.629 -3.464 18166 11788 1 19 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.341 -0.217 18166 11789 1 19 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.845 0.022 18166 11790 1 19 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.594 -0.574 18166 11791 1 19 . 1 1 92 92 ALA H H 92 7.871 7.871 7.566 0.305 18166 11792 1 19 . 1 1 93 93 ALA N N 93 123.065 123.065 121.528 1.537 18166 11793 1 19 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.266 -0.276 18166 11794 1 19 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.842 0.495 18166 11795 1 19 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.453 -1.832 18166 11796 1 19 . 1 1 93 93 ALA H H 93 7.649 7.649 7.578 0.071 18166 11797 1 19 . 1 1 94 94 LEU N N 94 117.762 117.762 119.499 -1.737 18166 11798 1 19 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.855 0.261 18166 11799 1 19 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.679 -0.029 18166 11800 1 19 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.463 0.339 18166 11801 1 19 . 1 1 94 94 LEU H H 94 7.847 7.847 8.289 -0.442 18166 11802 1 19 . 1 1 95 95 GLU N N 95 121.139 121.139 119.077 2.062 18166 11803 1 19 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.097 -0.742 18166 11804 1 19 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.670 -0.542 18166 11805 1 19 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.770 -0.377 18166 11806 1 19 . 1 1 95 95 GLU H H 95 8.971 8.971 8.300 0.671 18166 11807 1 19 . 1 1 96 96 ALA N N 96 124.630 124.630 120.306 4.324 18166 11808 1 19 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.156 -0.205 18166 11809 1 19 . 1 1 96 96 ALA CA C 96 54.572 54.572 54.025 0.547 18166 11810 1 19 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.698 -1.339 18166 11811 1 19 . 1 1 96 96 ALA H H 96 7.890 7.890 7.706 0.184 18166 11812 1 19 . 1 1 97 97 MET N N 97 115.484 115.484 116.921 -1.437 18166 11813 1 19 . 1 1 97 97 MET HA H 97 3.714 3.714 4.413 -0.699 18166 11814 1 19 . 1 1 97 97 MET CA C 97 56.071 56.071 53.982 2.089 18166 11815 1 19 . 1 1 97 97 MET CB C 97 33.654 33.654 31.928 1.726 18166 11816 1 19 . 1 1 97 97 MET H H 97 7.155 7.155 7.529 -0.374 18166 11817 1 19 . 1 1 98 98 LYS N N 98 112.882 112.882 114.387 -1.505 18166 11818 1 19 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.193 -0.463 18166 11819 1 19 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.359 -0.607 18166 11820 1 19 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.224 -1.104 18166 11821 1 19 . 1 1 98 98 LYS H H 98 7.597 7.597 7.564 0.033 18166 11822 1 19 . 1 1 99 99 ASP N N 99 120.642 120.642 120.546 0.096 18166 11823 1 19 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.717 0.120 18166 11824 1 19 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.323 -2.561 18166 11825 1 19 . 1 1 99 99 ASP CB C 99 37.679 37.679 38.957 -1.278 18166 11826 1 19 . 1 1 99 99 ASP H H 99 7.888 7.888 7.980 -0.092 18166 11827 1 19 . 1 1 100 100 TYR N N 100 117.948 117.948 120.028 -2.080 18166 11828 1 19 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.253 -0.308 18166 11829 1 19 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.479 1.455 18166 11830 1 19 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.252 0.387 18166 11831 1 19 . 1 1 100 100 TYR H H 100 6.984 6.984 7.329 -0.345 18166 11832 1 19 . 1 1 101 101 THR N N 101 113.752 113.752 109.403 4.349 18166 11833 1 19 . 1 1 101 101 THR HA H 101 4.008 4.008 4.087 -0.079 18166 11834 1 19 . 1 1 101 101 THR CA C 101 65.857 65.857 65.232 0.625 18166 11835 1 19 . 1 1 101 101 THR CB C 101 67.689 67.689 68.365 -0.676 18166 11836 1 19 . 1 1 101 101 THR H H 101 8.543 8.543 8.485 0.058 18166 11837 1 19 . 1 1 102 102 LYS N N 102 120.641 120.641 121.034 -0.393 18166 11838 1 19 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.735 -0.593 18166 11839 1 19 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.266 1.820 18166 11840 1 19 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.284 -0.105 18166 11841 1 19 . 1 1 102 102 LYS H H 102 7.348 7.348 7.662 -0.314 18166 11842 1 19 . 1 1 103 103 ALA N N 103 120.302 120.302 123.700 -3.398 18166 11843 1 19 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.932 -0.267 18166 11844 1 19 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.324 0.332 18166 11845 1 19 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.636 0.253 18166 11846 1 19 . 1 1 103 103 ALA H H 103 8.344 8.344 8.374 -0.030 18166 11847 1 19 . 1 1 104 104 MET N N 104 116.430 116.430 115.269 1.161 18166 11848 1 19 . 1 1 104 104 MET HA H 104 3.939 3.939 4.471 -0.532 18166 11849 1 19 . 1 1 104 104 MET CA C 104 61.020 61.020 59.264 1.756 18166 11850 1 19 . 1 1 104 104 MET CB C 104 33.904 33.904 32.267 1.637 18166 11851 1 19 . 1 1 104 104 MET H H 104 8.375 8.375 8.342 0.033 18166 11852 1 19 . 1 1 105 105 ASP N N 105 117.449 117.449 120.834 -3.385 18166 11853 1 19 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.416 0.094 18166 11854 1 19 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.564 -0.451 18166 11855 1 19 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.264 -0.055 18166 11856 1 19 . 1 1 105 105 ASP H H 105 7.319 7.319 8.316 -0.997 18166 11857 1 19 . 1 1 106 106 VAL N N 106 121.168 121.168 119.954 1.214 18166 11858 1 19 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.831 -0.081 18166 11859 1 19 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.457 0.523 18166 11860 1 19 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.543 -0.782 18166 11861 1 19 . 1 1 106 106 VAL H H 106 7.825 7.825 7.599 0.226 18166 11862 1 19 . 1 1 107 107 TYR N N 107 120.714 120.714 120.127 0.587 18166 11863 1 19 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.205 0.066 18166 11864 1 19 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.862 0.591 18166 11865 1 19 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.673 0.481 18166 11866 1 19 . 1 1 107 107 TYR H H 107 9.215 9.215 8.373 0.842 18166 11867 1 19 . 1 1 108 108 GLN N N 108 117.293 117.293 118.732 -1.439 18166 11868 1 19 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.891 -0.058 18166 11869 1 19 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.948 -0.246 18166 11870 1 19 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.227 0.017 18166 11871 1 19 . 1 1 108 108 GLN H H 108 8.605 8.605 7.957 0.648 18166 11872 1 19 . 1 1 109 109 LYS N N 109 120.342 120.342 118.764 1.578 18166 11873 1 19 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.043 -0.041 18166 11874 1 19 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.641 -0.104 18166 11875 1 19 . 1 1 109 109 LYS CB C 109 31.022 31.022 32.072 -1.050 18166 11876 1 19 . 1 1 109 109 LYS H H 109 7.571 7.571 8.231 -0.660 18166 11877 1 19 . 1 1 110 110 ALA N N 110 119.851 119.851 121.958 -2.107 18166 11878 1 19 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.979 -0.200 18166 11879 1 19 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.910 0.142 18166 11880 1 19 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.170 -0.482 18166 11881 1 19 . 1 1 110 110 ALA H H 110 7.693 7.693 7.812 -0.119 18166 11882 1 19 . 1 1 111 111 LEU N N 111 117.859 117.859 118.172 -0.313 18166 11883 1 19 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.016 0.061 18166 11884 1 19 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.260 -1.049 18166 11885 1 19 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.917 -0.108 18166 11886 1 19 . 1 1 111 111 LEU H H 111 7.811 7.811 8.068 -0.257 18166 11887 1 19 . 1 1 112 112 ASP N N 112 118.421 118.421 118.038 0.383 18166 11888 1 19 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.379 -0.128 18166 11889 1 19 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.419 -0.657 18166 11890 1 19 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.206 -2.011 18166 11891 1 19 . 1 1 112 112 ASP H H 112 8.099 8.099 7.809 0.290 18166 11892 1 19 . 1 1 113 113 LEU N N 113 120.299 120.299 118.827 1.472 18166 11893 1 19 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.056 0.101 18166 11894 1 19 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.566 -0.032 18166 11895 1 19 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.387 0.092 18166 11896 1 19 . 1 1 113 113 LEU H H 113 7.319 7.319 7.507 -0.188 18166 11897 1 19 . 1 1 114 114 ASP N N 114 118.196 118.196 113.845 4.351 18166 11898 1 19 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.749 -0.111 18166 11899 1 19 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.665 -0.477 18166 11900 1 19 . 1 1 114 114 ASP CB C 114 41.267 41.267 42.883 -1.617 18166 11901 1 19 . 1 1 114 114 ASP H H 114 8.190 8.190 7.615 0.575 18166 11902 1 19 . 1 1 115 115 SER N N 115 121.421 121.421 120.385 1.036 18166 11903 1 19 . 1 1 115 115 SER HA H 115 4.272 4.272 4.272 0.000 18166 11904 1 19 . 1 1 115 115 SER CA C 115 60.133 60.133 60.778 -0.645 18166 11905 1 19 . 1 1 115 115 SER CB C 115 62.791 62.791 63.165 -0.374 18166 11906 1 19 . 1 1 115 115 SER H H 115 8.775 8.775 8.726 0.049 18166 11907 1 19 . 1 1 116 116 SER N N 116 116.860 116.860 116.839 0.021 18166 11908 1 19 . 1 1 116 116 SER HA H 116 4.481 4.481 4.333 0.148 18166 11909 1 19 . 1 1 116 116 SER CA C 116 57.961 57.961 59.550 -1.589 18166 11910 1 19 . 1 1 116 116 SER CB C 116 63.960 63.960 62.638 1.322 18166 11911 1 19 . 1 1 116 116 SER H H 116 8.404 8.404 7.901 0.503 18166 11912 1 19 . 1 1 117 117 CYS N N 117 121.814 121.814 121.777 0.037 18166 11913 1 19 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.542 -0.231 18166 11914 1 19 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.025 0.947 18166 11915 1 19 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.689 -0.824 18166 11916 1 19 . 1 1 117 117 CYS H H 117 7.401 7.401 7.758 -0.357 18166 11917 1 19 . 1 1 118 118 LYS N N 118 105.939 105.939 120.830 -14.891 18166 11918 1 19 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.875 0.097 18166 11919 1 19 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.206 -0.340 18166 11920 1 19 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.583 0.773 18166 11921 1 19 . 1 1 118 118 LYS H H 118 8.647 8.647 7.907 0.740 18166 11922 1 19 . 1 1 119 119 GLU N N 119 117.724 117.724 118.145 -0.421 18166 11923 1 19 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.086 0.045 18166 11924 1 19 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.882 0.118 18166 11925 1 19 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.905 0.567 18166 11926 1 19 . 1 1 119 119 GLU H H 119 8.998 8.998 8.413 0.585 18166 11927 1 19 . 1 1 120 120 ALA N N 120 120.855 120.855 120.902 -0.047 18166 11928 1 19 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.343 0.025 18166 11929 1 19 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.218 -0.912 18166 11930 1 19 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.644 -0.531 18166 11931 1 19 . 1 1 120 120 ALA H H 120 7.494 7.494 8.397 -0.903 18166 11932 1 19 . 1 1 121 121 ALA N N 121 123.265 123.265 122.230 1.035 18166 11933 1 19 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.066 -0.071 18166 11934 1 19 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.994 -0.202 18166 11935 1 19 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.373 -0.569 18166 11936 1 19 . 1 1 121 121 ALA H H 121 7.914 7.914 7.624 0.290 18166 11937 1 19 . 1 1 122 122 ASP N N 122 118.732 118.732 118.417 0.315 18166 11938 1 19 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.282 -0.011 18166 11939 1 19 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.378 -1.136 18166 11940 1 19 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.693 -1.578 18166 11941 1 19 . 1 1 122 122 ASP H H 122 8.964 8.964 7.861 1.103 18166 11942 1 19 . 1 1 123 123 GLY N N 123 108.568 108.568 106.870 1.698 18166 11943 1 19 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.512 0.102 18166 11944 1 19 . 1 1 123 123 GLY H H 123 7.572 7.572 7.533 0.039 18166 11945 1 19 . 1 1 124 124 TYR N N 124 122.944 122.944 123.288 -0.344 18166 11946 1 19 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.974 -0.360 18166 11947 1 19 . 1 1 124 124 TYR CA C 124 63.184 63.184 59.768 3.416 18166 11948 1 19 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.151 -0.254 18166 11949 1 19 . 1 1 124 124 TYR H H 124 8.162 8.162 7.742 0.420 18166 11950 1 19 . 1 1 125 125 GLN N N 125 115.988 115.988 117.724 -1.736 18166 11951 1 19 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.599 0.276 18166 11952 1 19 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.740 -0.120 18166 11953 1 19 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.881 0.256 18166 11954 1 19 . 1 1 125 125 GLN H H 125 7.510 7.510 7.791 -0.281 18166 11955 1 19 . 1 1 126 126 ARG N N 126 118.626 118.626 119.982 -1.356 18166 11956 1 19 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.069 -0.136 18166 11957 1 19 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.584 1.233 18166 11958 1 19 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.731 1.361 18166 11959 1 19 . 1 1 126 126 ARG H H 126 8.139 8.139 7.932 0.207 18166 11960 1 19 . 1 1 127 127 CYS N N 127 116.985 116.985 117.760 -0.775 18166 11961 1 19 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.192 -0.303 18166 11962 1 19 . 1 1 127 127 CYS CA C 127 63.963 63.963 61.733 2.229 18166 11963 1 19 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.849 -0.083 18166 11964 1 19 . 1 1 127 127 CYS H H 127 8.097 8.097 7.652 0.445 18166 11965 1 19 . 1 1 128 128 MET N N 128 120.493 120.493 119.816 0.677 18166 11966 1 19 . 1 1 128 128 MET HA H 128 3.989 3.989 3.937 0.052 18166 11967 1 19 . 1 1 128 128 MET CA C 128 58.420 58.420 58.752 -0.332 18166 11968 1 19 . 1 1 128 128 MET CB C 128 31.539 31.539 31.986 -0.447 18166 11969 1 19 . 1 1 128 128 MET H H 128 8.163 8.163 8.064 0.099 18166 11970 1 19 . 1 1 129 129 MET N N 129 115.583 115.583 115.943 -0.360 18166 11971 1 19 . 1 1 129 129 MET HA H 129 4.211 4.211 4.272 -0.061 18166 11972 1 19 . 1 1 129 129 MET CA C 129 56.677 56.677 57.882 -1.205 18166 11973 1 19 . 1 1 129 129 MET CB C 129 31.951 31.951 32.366 -0.415 18166 11974 1 19 . 1 1 129 129 MET H H 129 7.723 7.723 7.441 0.282 18166 11975 1 19 . 1 1 130 130 ALA N N 130 121.061 121.061 119.694 1.367 18166 11976 1 19 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.818 0.090 18166 11977 1 19 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.074 -0.994 18166 11978 1 19 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.961 -1.457 18166 11979 1 19 . 1 1 130 130 ALA H H 130 7.458 7.458 7.306 0.152 18166 11980 1 19 . 1 1 131 131 GLN N N 131 114.560 114.560 115.924 -1.364 18166 11981 1 19 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.213 -0.207 18166 11982 1 19 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.732 -0.929 18166 11983 1 19 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.136 -0.031 18166 11984 1 19 . 1 1 131 131 GLN H H 131 7.214 7.214 7.234 -0.020 18166 11985 1 19 . 1 1 132 132 TYR N N 132 117.856 117.856 119.322 -1.466 18166 11986 1 19 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.672 -0.030 18166 11987 1 19 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.324 2.234 18166 11988 1 19 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.167 2.145 18166 11989 1 19 . 1 1 132 132 TYR H H 132 7.545 7.545 7.346 0.199 18166 11990 1 20 . 1 1 2 2 GLY N N 2 109.986 109.986 111.894 -1.908 18166 11991 1 20 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.316 -0.506 18166 11992 1 20 . 1 1 2 2 GLY H H 2 8.520 8.520 8.762 -0.242 18166 11993 1 20 . 1 1 3 3 HIS N N 3 117.442 117.442 123.473 -6.031 18166 11994 1 20 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.832 -0.212 18166 11995 1 20 . 1 1 3 3 HIS CB C 3 28.428 28.428 30.099 -1.671 18166 11996 1 20 . 1 1 3 3 HIS H H 3 8.406 8.406 8.151 0.255 18166 11997 1 20 . 1 1 4 4 HIS N N 4 118.932 118.932 122.738 -3.806 18166 11998 1 20 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.662 -0.034 18166 11999 1 20 . 1 1 4 4 HIS CA C 4 54.907 54.907 55.519 -0.612 18166 12000 1 20 . 1 1 4 4 HIS CB C 4 28.198 28.198 31.762 -3.564 18166 12001 1 20 . 1 1 4 4 HIS H H 4 8.552 8.552 8.642 -0.090 18166 12002 1 20 . 1 1 5 5 HIS N N 5 119.580 119.580 122.155 -2.575 18166 12003 1 20 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.598 0.050 18166 12004 1 20 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.660 -0.527 18166 12005 1 20 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.291 -1.530 18166 12006 1 20 . 1 1 5 5 HIS H H 5 8.615 8.615 8.536 0.079 18166 12007 1 20 . 1 1 6 6 HIS N N 6 121.369 121.369 120.506 0.863 18166 12008 1 20 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.423 0.225 18166 12009 1 20 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.393 -0.444 18166 12010 1 20 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.396 -1.296 18166 12011 1 20 . 1 1 6 6 HIS H H 6 8.732 8.732 8.347 0.385 18166 12012 1 20 . 1 1 7 7 HIS N N 7 120.276 120.276 117.725 2.551 18166 12013 1 20 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.425 0.217 18166 12014 1 20 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.107 -0.960 18166 12015 1 20 . 1 1 7 7 HIS CB C 7 28.825 28.825 30.407 -1.581 18166 12016 1 20 . 1 1 7 7 HIS H H 7 8.708 8.708 8.166 0.542 18166 12017 1 20 . 1 1 8 8 HIS N N 8 120.007 120.007 119.882 0.125 18166 12018 1 20 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.565 0.131 18166 12019 1 20 . 1 1 8 8 HIS CA C 8 54.861 54.861 56.859 -1.998 18166 12020 1 20 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.866 -2.170 18166 12021 1 20 . 1 1 8 8 HIS H H 8 8.708 8.708 8.832 -0.124 18166 12022 1 20 . 1 1 9 9 SER N N 9 117.977 117.977 115.802 2.175 18166 12023 1 20 . 1 1 9 9 SER HA H 9 4.404 4.404 4.495 -0.091 18166 12024 1 20 . 1 1 9 9 SER CA C 9 57.718 57.718 59.742 -2.024 18166 12025 1 20 . 1 1 9 9 SER CB C 9 63.246 63.246 63.303 -0.057 18166 12026 1 20 . 1 1 9 9 SER H H 9 8.535 8.535 8.543 -0.008 18166 12027 1 20 . 1 1 10 10 HIS N N 10 120.441 120.441 126.329 -5.888 18166 12028 1 20 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.831 -0.136 18166 12029 1 20 . 1 1 10 10 HIS H H 10 8.744 8.744 8.316 0.428 18166 12030 1 20 . 1 1 11 11 MET N N 11 122.004 122.004 120.059 1.945 18166 12031 1 20 . 1 1 11 11 MET HA H 11 4.427 4.427 4.298 0.129 18166 12032 1 20 . 1 1 11 11 MET CA C 11 54.665 54.665 57.792 -3.127 18166 12033 1 20 . 1 1 11 11 MET CB C 11 32.913 32.913 32.837 0.076 18166 12034 1 20 . 1 1 11 11 MET H H 11 8.443 8.443 8.578 -0.135 18166 12035 1 20 . 1 1 12 12 ASN N N 12 121.852 121.852 116.268 5.584 18166 12036 1 20 . 1 1 12 12 ASN HA H 12 4.937 4.937 5.054 -0.117 18166 12037 1 20 . 1 1 12 12 ASN CA C 12 51.380 51.380 52.015 -0.635 18166 12038 1 20 . 1 1 12 12 ASN CB C 12 38.313 38.313 39.099 -0.786 18166 12039 1 20 . 1 1 12 12 ASN H H 12 8.631 8.631 7.907 0.724 18166 12040 1 20 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.225 0.135 18166 12041 1 20 . 1 1 13 13 PRO CA C 13 63.149 63.149 63.863 -0.714 18166 12042 1 20 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.113 -0.361 18166 12043 1 20 . 1 1 14 14 ASP N N 14 119.643 119.643 115.792 3.851 18166 12044 1 20 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.634 -0.091 18166 12045 1 20 . 1 1 14 14 ASP CA C 14 54.028 54.028 54.157 -0.129 18166 12046 1 20 . 1 1 14 14 ASP CB C 14 39.762 39.762 40.997 -1.235 18166 12047 1 20 . 1 1 14 14 ASP H H 14 8.344 8.344 7.833 0.511 18166 12048 1 20 . 1 1 15 15 LEU N N 15 123.333 123.333 125.883 -2.550 18166 12049 1 20 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.137 0.012 18166 12050 1 20 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.703 -1.260 18166 12051 1 20 . 1 1 15 15 LEU CB C 15 41.376 41.376 42.004 -0.628 18166 12052 1 20 . 1 1 15 15 LEU H H 15 8.119 8.119 8.624 -0.505 18166 12053 1 20 . 1 1 16 16 ALA N N 16 121.879 121.879 120.589 1.290 18166 12054 1 20 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.106 0.008 18166 12055 1 20 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.500 -1.130 18166 12056 1 20 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.523 -0.475 18166 12057 1 20 . 1 1 16 16 ALA H H 16 8.212 8.212 8.016 0.196 18166 12058 1 20 . 1 1 17 17 LEU N N 17 118.990 118.990 116.280 2.710 18166 12059 1 20 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.248 -0.109 18166 12060 1 20 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.661 -1.552 18166 12061 1 20 . 1 1 17 17 LEU CB C 17 41.376 41.376 41.854 -0.478 18166 12062 1 20 . 1 1 17 17 LEU H H 17 7.719 7.719 7.577 0.142 18166 12063 1 20 . 1 1 18 18 MET N N 18 118.534 118.534 117.896 0.638 18166 12064 1 20 . 1 1 18 18 MET HA H 18 4.274 4.274 4.289 -0.015 18166 12065 1 20 . 1 1 18 18 MET CA C 18 56.497 56.497 56.958 -0.460 18166 12066 1 20 . 1 1 18 18 MET CB C 18 31.787 31.787 31.394 0.393 18166 12067 1 20 . 1 1 18 18 MET H H 18 7.996 7.996 7.627 0.369 18166 12068 1 20 . 1 1 19 19 VAL N N 19 119.243 119.243 119.102 0.141 18166 12069 1 20 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.868 -0.035 18166 12070 1 20 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.485 -1.751 18166 12071 1 20 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.996 -0.340 18166 12072 1 20 . 1 1 19 19 VAL H H 19 7.915 7.915 7.873 0.042 18166 12073 1 20 . 1 1 20 20 LYS N N 20 123.321 123.321 118.965 4.356 18166 12074 1 20 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.139 -0.162 18166 12075 1 20 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.823 -1.480 18166 12076 1 20 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.690 0.306 18166 12077 1 20 . 1 1 20 20 LYS H H 20 8.139 8.139 7.694 0.445 18166 12078 1 20 . 1 1 21 21 ASN N N 21 118.732 118.732 118.526 0.206 18166 12079 1 20 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.512 0.066 18166 12080 1 20 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.091 -1.851 18166 12081 1 20 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.115 -0.376 18166 12082 1 20 . 1 1 21 21 ASN H H 21 8.349 8.349 7.813 0.536 18166 12083 1 20 . 1 1 22 22 LYS N N 22 121.941 121.941 119.039 2.902 18166 12084 1 20 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.450 -0.426 18166 12085 1 20 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.365 -0.055 18166 12086 1 20 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.326 0.193 18166 12087 1 20 . 1 1 22 22 LYS H H 22 8.185 8.185 7.425 0.760 18166 12088 1 20 . 1 1 23 23 GLY N N 23 107.792 107.792 109.011 -1.219 18166 12089 1 20 . 1 1 23 23 GLY CA C 23 47.766 47.766 47.152 0.614 18166 12090 1 20 . 1 1 23 23 GLY H H 23 8.336 8.336 7.750 0.586 18166 12091 1 20 . 1 1 24 24 ASN N N 24 120.049 120.049 119.166 0.883 18166 12092 1 20 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.698 -0.114 18166 12093 1 20 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.129 0.072 18166 12094 1 20 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.548 -0.978 18166 12095 1 20 . 1 1 24 24 ASN H H 24 8.337 8.337 8.030 0.307 18166 12096 1 20 . 1 1 25 25 GLU N N 25 121.510 121.510 120.140 1.370 18166 12097 1 20 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.142 -0.095 18166 12098 1 20 . 1 1 25 25 GLU CA C 25 58.976 58.976 58.788 0.188 18166 12099 1 20 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.427 -0.324 18166 12100 1 20 . 1 1 25 25 GLU H H 25 8.366 8.366 7.574 0.792 18166 12101 1 20 . 1 1 26 26 CYS N N 26 116.512 116.512 118.187 -1.675 18166 12102 1 20 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.050 0.052 18166 12103 1 20 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.323 -0.319 18166 12104 1 20 . 1 1 26 26 CYS CB C 26 26.256 26.256 25.976 0.280 18166 12105 1 20 . 1 1 26 26 CYS H H 26 8.092 8.092 8.116 -0.024 18166 12106 1 20 . 1 1 27 27 PHE N N 27 122.066 122.066 120.003 2.063 18166 12107 1 20 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.341 -0.589 18166 12108 1 20 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.499 -0.019 18166 12109 1 20 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.730 1.171 18166 12110 1 20 . 1 1 27 27 PHE H H 27 8.756 8.756 7.923 0.833 18166 12111 1 20 . 1 1 28 28 GLN N N 28 119.430 119.430 119.082 0.348 18166 12112 1 20 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.081 -0.065 18166 12113 1 20 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.742 0.383 18166 12114 1 20 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.338 -0.128 18166 12115 1 20 . 1 1 28 28 GLN H H 28 8.574 8.574 8.096 0.478 18166 12116 1 20 . 1 1 29 29 LYS N N 29 116.011 116.011 117.689 -1.678 18166 12117 1 20 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.298 -0.054 18166 12118 1 20 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.507 0.591 18166 12119 1 20 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.292 0.243 18166 12120 1 20 . 1 1 29 29 LYS H H 29 7.410 7.410 7.526 -0.116 18166 12121 1 20 . 1 1 30 30 GLY N N 30 107.636 107.636 107.768 -0.132 18166 12122 1 20 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.982 -0.399 18166 12123 1 20 . 1 1 30 30 GLY H H 30 7.566 7.566 7.895 -0.329 18166 12124 1 20 . 1 1 31 31 ASP N N 31 120.587 120.587 124.003 -3.416 18166 12125 1 20 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.892 -0.224 18166 12126 1 20 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.163 -2.122 18166 12127 1 20 . 1 1 31 31 ASP CB C 31 38.718 38.718 39.499 -0.781 18166 12128 1 20 . 1 1 31 31 ASP H H 31 7.826 7.826 7.941 -0.115 18166 12129 1 20 . 1 1 32 32 TYR N N 32 120.190 120.190 123.486 -3.296 18166 12130 1 20 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.632 -0.860 18166 12131 1 20 . 1 1 32 32 TYR CA C 32 62.254 62.254 60.206 2.048 18166 12132 1 20 . 1 1 32 32 TYR H H 32 7.313 7.313 7.897 -0.584 18166 12133 1 20 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.332 -0.112 18166 12134 1 20 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.678 0.677 18166 12135 1 20 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.351 -0.064 18166 12136 1 20 . 1 1 34 34 GLN N N 34 115.797 115.797 118.651 -2.854 18166 12137 1 20 . 1 1 34 34 GLN HA H 34 3.925 3.925 4.089 -0.164 18166 12138 1 20 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.886 -0.722 18166 12139 1 20 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.542 0.836 18166 12140 1 20 . 1 1 34 34 GLN H H 34 7.278 7.278 8.379 -1.101 18166 12141 1 20 . 1 1 35 35 ALA N N 35 121.852 121.852 122.363 -0.511 18166 12142 1 20 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.957 0.115 18166 12143 1 20 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.800 0.797 18166 12144 1 20 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.246 0.299 18166 12145 1 20 . 1 1 35 35 ALA H H 35 8.376 8.376 7.961 0.415 18166 12146 1 20 . 1 1 36 36 MET N N 36 116.867 116.867 117.649 -0.782 18166 12147 1 20 . 1 1 36 36 MET HA H 36 3.887 3.887 4.294 -0.407 18166 12148 1 20 . 1 1 36 36 MET CA C 36 59.400 59.400 58.550 0.851 18166 12149 1 20 . 1 1 36 36 MET CB C 36 30.626 30.626 32.596 -1.970 18166 12150 1 20 . 1 1 36 36 MET H H 36 8.538 8.538 7.657 0.881 18166 12151 1 20 . 1 1 37 37 LYS N N 37 122.037 122.037 118.505 3.532 18166 12152 1 20 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.073 -0.161 18166 12153 1 20 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.311 -0.086 18166 12154 1 20 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.190 0.006 18166 12155 1 20 . 1 1 37 37 LYS H H 37 7.599 7.599 8.200 -0.601 18166 12156 1 20 . 1 1 38 38 HIS N N 38 117.718 117.718 119.520 -1.802 18166 12157 1 20 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.462 0.173 18166 12158 1 20 . 1 1 38 38 HIS CA C 38 58.000 58.000 59.485 -1.485 18166 12159 1 20 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.999 -1.999 18166 12160 1 20 . 1 1 38 38 HIS H H 38 7.908 7.908 7.910 -0.002 18166 12161 1 20 . 1 1 39 39 TYR N N 39 118.987 118.987 118.741 0.246 18166 12162 1 20 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.237 0.228 18166 12163 1 20 . 1 1 39 39 TYR CA C 39 60.253 60.253 60.742 -0.489 18166 12164 1 20 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.330 -0.539 18166 12165 1 20 . 1 1 39 39 TYR H H 39 9.156 9.156 8.059 1.097 18166 12166 1 20 . 1 1 40 40 THR N N 40 117.147 117.147 115.533 1.614 18166 12167 1 20 . 1 1 40 40 THR HA H 40 3.872 3.872 3.858 0.014 18166 12168 1 20 . 1 1 40 40 THR CA C 40 67.449 67.449 67.236 0.213 18166 12169 1 20 . 1 1 40 40 THR CB C 40 68.728 68.728 68.398 0.330 18166 12170 1 20 . 1 1 40 40 THR H H 40 8.476 8.476 7.756 0.720 18166 12171 1 20 . 1 1 41 41 GLU N N 41 122.067 122.067 120.217 1.850 18166 12172 1 20 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.071 -0.092 18166 12173 1 20 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.546 0.199 18166 12174 1 20 . 1 1 41 41 GLU CB C 41 28.723 28.723 28.943 -0.220 18166 12175 1 20 . 1 1 41 41 GLU H H 41 7.762 7.762 7.596 0.166 18166 12176 1 20 . 1 1 42 42 ALA N N 42 122.040 122.040 122.951 -0.911 18166 12177 1 20 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.079 -0.110 18166 12178 1 20 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.728 0.441 18166 12179 1 20 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.697 -0.327 18166 12180 1 20 . 1 1 42 42 ALA H H 42 8.191 8.191 7.486 0.705 18166 12181 1 20 . 1 1 43 43 ILE N N 43 122.662 122.662 118.382 4.280 18166 12182 1 20 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.927 -0.611 18166 12183 1 20 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.898 0.700 18166 12184 1 20 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.474 1.013 18166 12185 1 20 . 1 1 43 43 ILE H H 43 8.427 8.427 8.272 0.155 18166 12186 1 20 . 1 1 44 44 LYS N N 44 117.349 117.349 117.901 -0.552 18166 12187 1 20 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.044 -0.103 18166 12188 1 20 . 1 1 44 44 LYS CA C 44 58.701 58.701 58.174 0.527 18166 12189 1 20 . 1 1 44 44 LYS CB C 44 31.991 31.991 31.896 0.095 18166 12190 1 20 . 1 1 44 44 LYS H H 44 7.473 7.473 7.461 0.012 18166 12191 1 20 . 1 1 45 45 ARG N N 45 114.723 114.723 116.448 -1.725 18166 12192 1 20 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.294 -0.121 18166 12193 1 20 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.096 0.309 18166 12194 1 20 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.136 -0.799 18166 12195 1 20 . 1 1 45 45 ARG H H 45 7.150 7.150 7.681 -0.531 18166 12196 1 20 . 1 1 46 46 ASN N N 46 115.919 115.919 117.054 -1.135 18166 12197 1 20 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.128 -0.055 18166 12198 1 20 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.133 0.025 18166 12199 1 20 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.171 -0.540 18166 12200 1 20 . 1 1 46 46 ASN H H 46 7.885 7.885 8.135 -0.250 18166 12201 1 20 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.721 0.011 18166 12202 1 20 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.568 -0.363 18166 12203 1 20 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.311 -0.357 18166 12204 1 20 . 1 1 48 48 LYS N N 48 118.494 118.494 119.147 -0.653 18166 12205 1 20 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.340 0.295 18166 12206 1 20 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.876 -1.876 18166 12207 1 20 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.893 -0.466 18166 12208 1 20 . 1 1 48 48 LYS H H 48 8.154 8.154 8.591 -0.437 18166 12209 1 20 . 1 1 49 49 ASP N N 49 119.387 119.387 121.057 -1.670 18166 12210 1 20 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.707 -0.017 18166 12211 1 20 . 1 1 49 49 ASP CA C 49 52.878 52.878 54.369 -1.491 18166 12212 1 20 . 1 1 49 49 ASP CB C 49 40.026 40.026 39.745 0.281 18166 12213 1 20 . 1 1 49 49 ASP H H 49 7.317 7.317 8.067 -0.750 18166 12214 1 20 . 1 1 50 50 ALA N N 50 128.206 128.206 126.828 1.378 18166 12215 1 20 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.144 -0.103 18166 12216 1 20 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.040 0.524 18166 12217 1 20 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.867 1.223 18166 12218 1 20 . 1 1 50 50 ALA H H 50 8.466 8.466 7.773 0.693 18166 12219 1 20 . 1 1 51 51 LYS N N 51 113.628 113.628 116.518 -2.890 18166 12220 1 20 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.169 -0.292 18166 12221 1 20 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.742 0.572 18166 12222 1 20 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.312 0.007 18166 12223 1 20 . 1 1 51 51 LYS H H 51 7.985 7.985 8.016 -0.031 18166 12224 1 20 . 1 1 52 52 LEU N N 52 117.207 117.207 121.198 -3.991 18166 12225 1 20 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.912 -0.240 18166 12226 1 20 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.536 -0.258 18166 12227 1 20 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.976 1.116 18166 12228 1 20 . 1 1 52 52 LEU H H 52 7.323 7.323 7.688 -0.365 18166 12229 1 20 . 1 1 53 53 TYR N N 53 116.167 116.167 117.785 -1.618 18166 12230 1 20 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.035 -0.157 18166 12231 1 20 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.562 0.011 18166 12232 1 20 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.592 0.555 18166 12233 1 20 . 1 1 53 53 TYR H H 53 6.955 6.955 7.745 -0.790 18166 12234 1 20 . 1 1 54 54 SER N N 54 112.799 112.799 113.896 -1.097 18166 12235 1 20 . 1 1 54 54 SER HA H 54 3.976 3.976 4.139 -0.163 18166 12236 1 20 . 1 1 54 54 SER CA C 54 61.200 61.200 60.372 0.828 18166 12237 1 20 . 1 1 54 54 SER CB C 54 62.184 62.184 62.742 -0.558 18166 12238 1 20 . 1 1 54 54 SER H H 54 7.661 7.661 8.193 -0.532 18166 12239 1 20 . 1 1 55 55 ASN N N 55 119.126 119.126 120.190 -1.064 18166 12240 1 20 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.275 -0.176 18166 12241 1 20 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.481 -0.240 18166 12242 1 20 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.928 -1.651 18166 12243 1 20 . 1 1 55 55 ASN H H 55 7.729 7.729 7.872 -0.143 18166 12244 1 20 . 1 1 56 56 ARG N N 56 122.589 122.589 120.733 1.856 18166 12245 1 20 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.786 0.347 18166 12246 1 20 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.919 2.642 18166 12247 1 20 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.999 -0.930 18166 12248 1 20 . 1 1 56 56 ARG H H 56 8.329 8.329 7.136 1.193 18166 12249 1 20 . 1 1 57 57 ALA N N 57 122.569 122.569 120.668 1.901 18166 12250 1 20 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.239 0.021 18166 12251 1 20 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.841 1.234 18166 12252 1 20 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.413 1.476 18166 12253 1 20 . 1 1 57 57 ALA H H 57 8.857 8.857 8.041 0.816 18166 12254 1 20 . 1 1 58 58 ALA N N 58 120.015 120.015 119.816 0.199 18166 12255 1 20 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.019 0.064 18166 12256 1 20 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.364 0.686 18166 12257 1 20 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.065 -0.241 18166 12258 1 20 . 1 1 58 58 ALA H H 58 7.574 7.574 7.717 -0.143 18166 12259 1 20 . 1 1 59 59 CYS N N 59 117.074 117.074 116.830 0.244 18166 12260 1 20 . 1 1 59 59 CYS HA H 59 4.062 4.062 3.693 0.369 18166 12261 1 20 . 1 1 59 59 CYS CA C 59 63.245 63.245 61.582 1.663 18166 12262 1 20 . 1 1 59 59 CYS CB C 59 26.827 26.827 26.123 0.704 18166 12263 1 20 . 1 1 59 59 CYS H H 59 7.523 7.523 7.348 0.175 18166 12264 1 20 . 1 1 60 60 TYR N N 60 118.554 118.554 119.174 -0.620 18166 12265 1 20 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.219 0.068 18166 12266 1 20 . 1 1 60 60 TYR CA C 60 60.904 60.904 60.049 0.855 18166 12267 1 20 . 1 1 60 60 TYR CB C 60 38.277 38.277 36.990 1.287 18166 12268 1 20 . 1 1 60 60 TYR H H 60 8.684 8.684 7.846 0.838 18166 12269 1 20 . 1 1 61 61 THR N N 61 116.951 116.951 112.138 4.813 18166 12270 1 20 . 1 1 61 61 THR HA H 61 4.264 4.264 2.862 1.402 18166 12271 1 20 . 1 1 61 61 THR CA C 61 67.645 67.645 65.565 2.080 18166 12272 1 20 . 1 1 61 61 THR CB C 61 67.784 67.784 68.272 -0.488 18166 12273 1 20 . 1 1 61 61 THR H H 61 8.572 8.572 7.555 1.017 18166 12274 1 20 . 1 1 62 62 LYS N N 62 122.578 122.578 120.082 2.496 18166 12275 1 20 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.267 -0.343 18166 12276 1 20 . 1 1 62 62 LYS CA C 62 57.206 57.206 57.602 -0.396 18166 12277 1 20 . 1 1 62 62 LYS CB C 62 30.794 30.794 31.997 -1.203 18166 12278 1 20 . 1 1 62 62 LYS H H 62 7.410 7.410 7.557 -0.147 18166 12279 1 20 . 1 1 63 63 LEU N N 63 117.404 117.404 118.233 -0.829 18166 12280 1 20 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.463 -0.247 18166 12281 1 20 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.878 -0.833 18166 12282 1 20 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.541 -0.898 18166 12283 1 20 . 1 1 63 63 LEU H H 63 7.397 7.397 7.539 -0.142 18166 12284 1 20 . 1 1 64 64 LEU N N 64 113.668 113.668 115.311 -1.643 18166 12285 1 20 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.195 -1.225 18166 12286 1 20 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.373 -1.555 18166 12287 1 20 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.139 -1.888 18166 12288 1 20 . 1 1 64 64 LEU H H 64 7.457 7.457 7.686 -0.229 18166 12289 1 20 . 1 1 65 65 GLU N N 65 120.636 120.636 120.274 0.362 18166 12290 1 20 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.428 -0.025 18166 12291 1 20 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.986 -1.756 18166 12292 1 20 . 1 1 65 65 GLU CB C 65 27.090 27.090 28.039 -0.949 18166 12293 1 20 . 1 1 65 65 GLU H H 65 8.085 8.085 8.117 -0.032 18166 12294 1 20 . 1 1 66 66 PHE N N 66 118.292 118.292 120.662 -2.370 18166 12295 1 20 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.099 -0.073 18166 12296 1 20 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.032 -1.043 18166 12297 1 20 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.773 -0.490 18166 12298 1 20 . 1 1 66 66 PHE H H 66 6.812 6.812 7.901 -1.089 18166 12299 1 20 . 1 1 67 67 GLN N N 67 117.166 117.166 117.920 -0.754 18166 12300 1 20 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.000 -0.017 18166 12301 1 20 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.902 -0.224 18166 12302 1 20 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.891 -1.047 18166 12303 1 20 . 1 1 67 67 GLN H H 67 8.589 8.589 8.589 0.000 18166 12304 1 20 . 1 1 68 68 LEU N N 68 119.871 119.871 119.000 0.871 18166 12305 1 20 . 1 1 68 68 LEU HA H 68 3.766 3.766 4.011 -0.245 18166 12306 1 20 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.687 0.788 18166 12307 1 20 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.933 -2.913 18166 12308 1 20 . 1 1 68 68 LEU H H 68 7.422 7.422 7.783 -0.361 18166 12309 1 20 . 1 1 69 69 ALA N N 69 121.380 121.380 122.195 -0.815 18166 12310 1 20 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.091 0.042 18166 12311 1 20 . 1 1 69 69 ALA CA C 69 55.828 55.828 54.994 0.834 18166 12312 1 20 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.427 0.080 18166 12313 1 20 . 1 1 69 69 ALA H H 69 7.871 7.871 7.483 0.388 18166 12314 1 20 . 1 1 70 70 LEU N N 70 118.569 118.569 119.224 -0.655 18166 12315 1 20 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.923 -0.109 18166 12316 1 20 . 1 1 70 70 LEU CA C 70 58.579 58.579 58.056 0.523 18166 12317 1 20 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.782 -0.856 18166 12318 1 20 . 1 1 70 70 LEU H H 70 8.519 8.519 8.177 0.342 18166 12319 1 20 . 1 1 71 71 LYS N N 71 119.700 119.700 117.929 1.771 18166 12320 1 20 . 1 1 71 71 LYS HA H 71 3.977 3.977 3.940 0.037 18166 12321 1 20 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.278 -0.083 18166 12322 1 20 . 1 1 71 71 LYS H H 71 7.619 7.619 7.533 0.086 18166 12323 1 20 . 1 1 72 72 ASP N N 72 121.506 121.506 120.689 0.817 18166 12324 1 20 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.400 0.214 18166 12325 1 20 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.755 -0.462 18166 12326 1 20 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.183 -1.201 18166 12327 1 20 . 1 1 72 72 ASP H H 72 7.460 7.460 8.261 -0.801 18166 12328 1 20 . 1 1 73 73 CYS N N 73 118.302 118.302 118.566 -0.264 18166 12329 1 20 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.284 -0.450 18166 12330 1 20 . 1 1 73 73 CYS CA C 73 64.687 64.687 62.169 2.518 18166 12331 1 20 . 1 1 73 73 CYS CB C 73 26.546 26.546 26.742 -0.196 18166 12332 1 20 . 1 1 73 73 CYS H H 73 8.366 8.366 7.640 0.726 18166 12333 1 20 . 1 1 74 74 GLU N N 74 117.660 117.660 118.843 -1.183 18166 12334 1 20 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.142 -0.241 18166 12335 1 20 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.818 -0.605 18166 12336 1 20 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.187 -1.171 18166 12337 1 20 . 1 1 74 74 GLU H H 74 8.244 8.244 7.972 0.272 18166 12338 1 20 . 1 1 75 75 GLU N N 75 119.807 119.807 117.469 2.338 18166 12339 1 20 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.223 -0.330 18166 12340 1 20 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.370 -0.221 18166 12341 1 20 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.979 -3.305 18166 12342 1 20 . 1 1 75 75 GLU H H 75 7.394 7.394 7.775 -0.381 18166 12343 1 20 . 1 1 76 76 CYS N N 76 118.342 118.342 118.841 -0.499 18166 12344 1 20 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.821 0.020 18166 12345 1 20 . 1 1 76 76 CYS CA C 76 64.303 64.303 63.870 0.433 18166 12346 1 20 . 1 1 76 76 CYS CB C 76 26.371 26.371 27.589 -1.218 18166 12347 1 20 . 1 1 76 76 CYS H H 76 7.852 7.852 8.347 -0.495 18166 12348 1 20 . 1 1 77 77 ILE N N 77 117.728 117.728 120.855 -3.127 18166 12349 1 20 . 1 1 77 77 ILE HA H 77 3.480 3.480 3.415 0.065 18166 12350 1 20 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.490 0.718 18166 12351 1 20 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.730 0.819 18166 12352 1 20 . 1 1 77 77 ILE H H 77 7.897 7.897 7.779 0.118 18166 12353 1 20 . 1 1 78 78 GLN N N 78 117.037 117.037 117.433 -0.396 18166 12354 1 20 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.010 -0.105 18166 12355 1 20 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.515 0.699 18166 12356 1 20 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.532 -0.181 18166 12357 1 20 . 1 1 78 78 GLN H H 78 7.655 7.655 7.541 0.114 18166 12358 1 20 . 1 1 79 79 LEU N N 79 118.180 118.180 117.760 0.420 18166 12359 1 20 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.196 -0.101 18166 12360 1 20 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.191 0.324 18166 12361 1 20 . 1 1 79 79 LEU CB C 79 44.044 44.044 42.737 1.307 18166 12362 1 20 . 1 1 79 79 LEU H H 79 8.021 8.021 7.037 0.984 18166 12363 1 20 . 1 1 80 80 GLU N N 80 117.250 117.250 117.276 -0.026 18166 12364 1 20 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.601 0.235 18166 12365 1 20 . 1 1 80 80 GLU CA C 80 53.542 53.542 52.240 1.302 18166 12366 1 20 . 1 1 80 80 GLU CB C 80 30.779 30.779 30.196 0.583 18166 12367 1 20 . 1 1 80 80 GLU H H 80 8.403 8.403 7.440 0.963 18166 12368 1 20 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.338 0.528 18166 12369 1 20 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.588 0.157 18166 12370 1 20 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.518 -0.766 18166 12371 1 20 . 1 1 82 82 THR N N 82 107.443 107.443 109.676 -2.233 18166 12372 1 20 . 1 1 82 82 THR HA H 82 4.607 4.607 4.705 -0.098 18166 12373 1 20 . 1 1 82 82 THR CA C 82 61.139 61.139 61.165 -0.026 18166 12374 1 20 . 1 1 82 82 THR CB C 82 68.785 68.785 68.530 0.255 18166 12375 1 20 . 1 1 82 82 THR H H 82 8.129 8.129 7.836 0.293 18166 12376 1 20 . 1 1 83 83 PHE N N 83 123.490 123.490 120.415 3.075 18166 12377 1 20 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.573 0.557 18166 12378 1 20 . 1 1 83 83 PHE CA C 83 55.712 55.712 54.506 1.206 18166 12379 1 20 . 1 1 83 83 PHE CB C 83 38.263 38.263 36.760 1.503 18166 12380 1 20 . 1 1 83 83 PHE H H 83 8.022 8.022 7.572 0.450 18166 12381 1 20 . 1 1 84 84 ILE N N 84 131.837 131.837 125.436 6.401 18166 12382 1 20 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.882 0.068 18166 12383 1 20 . 1 1 84 84 ILE CA C 84 64.230 64.230 65.325 -1.095 18166 12384 1 20 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.427 0.542 18166 12385 1 20 . 1 1 84 84 ILE H H 84 8.955 8.955 8.232 0.723 18166 12386 1 20 . 1 1 85 85 LYS N N 85 115.465 115.465 119.573 -4.108 18166 12387 1 20 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.160 0.298 18166 12388 1 20 . 1 1 85 85 LYS CA C 85 56.336 56.336 59.109 -2.773 18166 12389 1 20 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.363 0.118 18166 12390 1 20 . 1 1 85 85 LYS H H 85 6.000 6.000 8.473 -2.473 18166 12391 1 20 . 1 1 86 86 GLY N N 86 103.958 103.958 107.314 -3.356 18166 12392 1 20 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.210 1.951 18166 12393 1 20 . 1 1 86 86 GLY H H 86 6.966 6.966 7.166 -0.200 18166 12394 1 20 . 1 1 87 87 TYR N N 87 115.851 115.851 121.692 -5.841 18166 12395 1 20 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.173 -0.233 18166 12396 1 20 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.301 -0.104 18166 12397 1 20 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.702 0.531 18166 12398 1 20 . 1 1 87 87 TYR H H 87 6.814 6.814 7.501 -0.687 18166 12399 1 20 . 1 1 88 88 THR N N 88 109.840 109.840 115.694 -5.854 18166 12400 1 20 . 1 1 88 88 THR HA H 88 4.328 4.328 4.110 0.218 18166 12401 1 20 . 1 1 88 88 THR CA C 88 66.353 66.353 66.915 -0.562 18166 12402 1 20 . 1 1 88 88 THR CB C 88 66.371 66.371 68.648 -2.277 18166 12403 1 20 . 1 1 88 88 THR H H 88 8.318 8.318 8.418 -0.100 18166 12404 1 20 . 1 1 89 89 ARG N N 89 121.855 121.855 120.054 1.801 18166 12405 1 20 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.170 -0.093 18166 12406 1 20 . 1 1 89 89 ARG CA C 89 59.029 59.029 58.229 0.800 18166 12407 1 20 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.547 -0.274 18166 12408 1 20 . 1 1 89 89 ARG H H 89 8.320 8.320 7.638 0.682 18166 12409 1 20 . 1 1 90 90 LYS N N 90 124.436 124.436 120.508 3.928 18166 12410 1 20 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.080 -0.151 18166 12411 1 20 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.906 0.956 18166 12412 1 20 . 1 1 90 90 LYS H H 90 7.379 7.379 7.917 -0.538 18166 12413 1 20 . 1 1 91 91 ALA N N 91 121.179 121.179 120.149 1.030 18166 12414 1 20 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.974 -0.482 18166 12415 1 20 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.696 0.357 18166 12416 1 20 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.788 -2.343 18166 12417 1 20 . 1 1 91 91 ALA H H 91 8.460 8.460 8.000 0.460 18166 12418 1 20 . 1 1 92 92 ALA N N 92 118.165 118.165 121.267 -3.102 18166 12419 1 20 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.264 -0.140 18166 12420 1 20 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.778 0.089 18166 12421 1 20 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.614 -0.594 18166 12422 1 20 . 1 1 92 92 ALA H H 92 7.871 7.871 7.809 0.062 18166 12423 1 20 . 1 1 93 93 ALA N N 93 123.065 123.065 121.316 1.749 18166 12424 1 20 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.186 -0.196 18166 12425 1 20 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.680 0.657 18166 12426 1 20 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.901 -2.280 18166 12427 1 20 . 1 1 93 93 ALA H H 93 7.649 7.649 7.648 0.001 18166 12428 1 20 . 1 1 94 94 LEU N N 94 117.762 117.762 119.251 -1.489 18166 12429 1 20 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.829 0.287 18166 12430 1 20 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.615 0.035 18166 12431 1 20 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.390 0.412 18166 12432 1 20 . 1 1 94 94 LEU H H 94 7.847 7.847 8.172 -0.325 18166 12433 1 20 . 1 1 95 95 GLU N N 95 121.139 121.139 119.094 2.045 18166 12434 1 20 . 1 1 95 95 GLU HA H 95 3.355 3.355 3.979 -0.624 18166 12435 1 20 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.676 -0.548 18166 12436 1 20 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.741 -0.348 18166 12437 1 20 . 1 1 95 95 GLU H H 95 8.971 8.971 8.324 0.647 18166 12438 1 20 . 1 1 96 96 ALA N N 96 124.630 124.630 118.955 5.675 18166 12439 1 20 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.090 -0.139 18166 12440 1 20 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.885 0.687 18166 12441 1 20 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.426 -1.067 18166 12442 1 20 . 1 1 96 96 ALA H H 96 7.890 7.890 7.582 0.308 18166 12443 1 20 . 1 1 97 97 MET N N 97 115.484 115.484 116.477 -0.993 18166 12444 1 20 . 1 1 97 97 MET HA H 97 3.714 3.714 4.434 -0.720 18166 12445 1 20 . 1 1 97 97 MET CA C 97 56.071 56.071 53.996 2.075 18166 12446 1 20 . 1 1 97 97 MET CB C 97 33.654 33.654 32.246 1.408 18166 12447 1 20 . 1 1 97 97 MET H H 97 7.155 7.155 7.316 -0.161 18166 12448 1 20 . 1 1 98 98 LYS N N 98 112.882 112.882 114.657 -1.775 18166 12449 1 20 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.226 -0.496 18166 12450 1 20 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.055 -0.303 18166 12451 1 20 . 1 1 98 98 LYS CB C 98 28.120 28.120 28.987 -0.867 18166 12452 1 20 . 1 1 98 98 LYS H H 98 7.597 7.597 7.427 0.170 18166 12453 1 20 . 1 1 99 99 ASP N N 99 120.642 120.642 120.357 0.285 18166 12454 1 20 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.749 0.088 18166 12455 1 20 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.123 -2.361 18166 12456 1 20 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.145 -1.466 18166 12457 1 20 . 1 1 99 99 ASP H H 99 7.888 7.888 7.989 -0.101 18166 12458 1 20 . 1 1 100 100 TYR N N 100 117.948 117.948 119.690 -1.742 18166 12459 1 20 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.122 -0.177 18166 12460 1 20 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.806 1.128 18166 12461 1 20 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.340 0.299 18166 12462 1 20 . 1 1 100 100 TYR H H 100 6.984 6.984 7.042 -0.058 18166 12463 1 20 . 1 1 101 101 THR N N 101 113.752 113.752 110.366 3.386 18166 12464 1 20 . 1 1 101 101 THR HA H 101 4.008 4.008 4.036 -0.028 18166 12465 1 20 . 1 1 101 101 THR CA C 101 65.857 65.857 65.617 0.240 18166 12466 1 20 . 1 1 101 101 THR CB C 101 67.689 67.689 68.292 -0.603 18166 12467 1 20 . 1 1 101 101 THR H H 101 8.543 8.543 8.418 0.125 18166 12468 1 20 . 1 1 102 102 LYS N N 102 120.641 120.641 120.758 -0.117 18166 12469 1 20 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.322 -0.180 18166 12470 1 20 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.457 1.629 18166 12471 1 20 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.072 0.107 18166 12472 1 20 . 1 1 102 102 LYS H H 102 7.348 7.348 7.653 -0.305 18166 12473 1 20 . 1 1 103 103 ALA N N 103 120.302 120.302 123.785 -3.483 18166 12474 1 20 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.846 -0.181 18166 12475 1 20 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.323 0.333 18166 12476 1 20 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.513 0.376 18166 12477 1 20 . 1 1 103 103 ALA H H 103 8.344 8.344 8.424 -0.080 18166 12478 1 20 . 1 1 104 104 MET N N 104 116.430 116.430 115.360 1.070 18166 12479 1 20 . 1 1 104 104 MET HA H 104 3.939 3.939 4.494 -0.555 18166 12480 1 20 . 1 1 104 104 MET CA C 104 61.020 61.020 59.154 1.866 18166 12481 1 20 . 1 1 104 104 MET CB C 104 33.904 33.904 32.426 1.478 18166 12482 1 20 . 1 1 104 104 MET H H 104 8.375 8.375 8.298 0.077 18166 12483 1 20 . 1 1 105 105 ASP N N 105 117.449 117.449 120.250 -2.801 18166 12484 1 20 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.375 0.135 18166 12485 1 20 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.803 -0.690 18166 12486 1 20 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.926 -0.717 18166 12487 1 20 . 1 1 105 105 ASP H H 105 7.319 7.319 7.836 -0.517 18166 12488 1 20 . 1 1 106 106 VAL N N 106 121.168 121.168 119.935 1.233 18166 12489 1 20 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.497 0.253 18166 12490 1 20 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.716 0.264 18166 12491 1 20 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.758 -0.997 18166 12492 1 20 . 1 1 106 106 VAL H H 106 7.825 7.825 7.390 0.435 18166 12493 1 20 . 1 1 107 107 TYR N N 107 120.714 120.714 119.003 1.711 18166 12494 1 20 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.223 0.048 18166 12495 1 20 . 1 1 107 107 TYR CA C 107 62.453 62.453 60.367 2.086 18166 12496 1 20 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.316 0.838 18166 12497 1 20 . 1 1 107 107 TYR H H 107 9.215 9.215 8.186 1.029 18166 12498 1 20 . 1 1 108 108 GLN N N 108 117.293 117.293 118.797 -1.504 18166 12499 1 20 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.895 -0.062 18166 12500 1 20 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.980 -0.278 18166 12501 1 20 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.305 -0.060 18166 12502 1 20 . 1 1 108 108 GLN H H 108 8.605 8.605 7.951 0.654 18166 12503 1 20 . 1 1 109 109 LYS N N 109 120.342 120.342 118.381 1.961 18166 12504 1 20 . 1 1 109 109 LYS HA H 109 4.002 4.002 4.003 -0.001 18166 12505 1 20 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.138 0.399 18166 12506 1 20 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.810 -0.788 18166 12507 1 20 . 1 1 109 109 LYS H H 109 7.571 7.571 7.727 -0.156 18166 12508 1 20 . 1 1 110 110 ALA N N 110 119.851 119.851 122.583 -2.732 18166 12509 1 20 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.989 -0.210 18166 12510 1 20 . 1 1 110 110 ALA CA C 110 55.052 55.052 55.063 -0.011 18166 12511 1 20 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.359 -0.671 18166 12512 1 20 . 1 1 110 110 ALA H H 110 7.693 7.693 7.856 -0.163 18166 12513 1 20 . 1 1 111 111 LEU N N 111 117.859 117.859 118.379 -0.520 18166 12514 1 20 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.039 0.038 18166 12515 1 20 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.368 -1.157 18166 12516 1 20 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.873 -0.064 18166 12517 1 20 . 1 1 111 111 LEU H H 111 7.811 7.811 8.043 -0.232 18166 12518 1 20 . 1 1 112 112 ASP N N 112 118.421 118.421 118.337 0.084 18166 12519 1 20 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.389 -0.138 18166 12520 1 20 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.667 -0.905 18166 12521 1 20 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.214 -2.019 18166 12522 1 20 . 1 1 112 112 ASP H H 112 8.099 8.099 7.736 0.363 18166 12523 1 20 . 1 1 113 113 LEU N N 113 120.299 120.299 118.803 1.496 18166 12524 1 20 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.148 0.009 18166 12525 1 20 . 1 1 113 113 LEU CA C 113 56.534 56.534 57.045 -0.511 18166 12526 1 20 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.537 -0.058 18166 12527 1 20 . 1 1 113 113 LEU H H 113 7.319 7.319 7.402 -0.083 18166 12528 1 20 . 1 1 114 114 ASP N N 114 118.196 118.196 115.507 2.689 18166 12529 1 20 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.855 -0.217 18166 12530 1 20 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.284 -0.096 18166 12531 1 20 . 1 1 114 114 ASP CB C 114 41.267 41.267 44.171 -2.904 18166 12532 1 20 . 1 1 114 114 ASP H H 114 8.190 8.190 7.824 0.366 18166 12533 1 20 . 1 1 115 115 SER N N 115 121.421 121.421 117.188 4.233 18166 12534 1 20 . 1 1 115 115 SER HA H 115 4.272 4.272 4.205 0.067 18166 12535 1 20 . 1 1 115 115 SER CA C 115 60.133 60.133 60.931 -0.798 18166 12536 1 20 . 1 1 115 115 SER CB C 115 62.791 62.791 63.169 -0.378 18166 12537 1 20 . 1 1 115 115 SER H H 115 8.775 8.775 8.809 -0.034 18166 12538 1 20 . 1 1 116 116 SER N N 116 116.860 116.860 116.760 0.100 18166 12539 1 20 . 1 1 116 116 SER HA H 116 4.481 4.481 4.328 0.153 18166 12540 1 20 . 1 1 116 116 SER CA C 116 57.961 57.961 60.271 -2.310 18166 12541 1 20 . 1 1 116 116 SER CB C 116 63.960 63.960 62.863 1.097 18166 12542 1 20 . 1 1 116 116 SER H H 116 8.404 8.404 8.389 0.015 18166 12543 1 20 . 1 1 117 117 CYS N N 117 121.814 121.814 120.704 1.110 18166 12544 1 20 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.460 -0.149 18166 12545 1 20 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.702 0.270 18166 12546 1 20 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.092 -0.226 18166 12547 1 20 . 1 1 117 117 CYS H H 117 7.401 7.401 7.797 -0.396 18166 12548 1 20 . 1 1 118 118 LYS N N 118 105.939 105.939 121.326 -15.387 18166 12549 1 20 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.918 0.054 18166 12550 1 20 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.178 -0.311 18166 12551 1 20 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.683 0.673 18166 12552 1 20 . 1 1 118 118 LYS H H 118 8.647 8.647 8.114 0.533 18166 12553 1 20 . 1 1 119 119 GLU N N 119 117.724 117.724 117.642 0.082 18166 12554 1 20 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.067 0.064 18166 12555 1 20 . 1 1 119 119 GLU CA C 119 59.000 59.000 59.052 -0.052 18166 12556 1 20 . 1 1 119 119 GLU CB C 119 29.472 29.472 29.017 0.455 18166 12557 1 20 . 1 1 119 119 GLU H H 119 8.998 8.998 8.352 0.646 18166 12558 1 20 . 1 1 120 120 ALA N N 120 120.855 120.855 120.693 0.162 18166 12559 1 20 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.255 0.113 18166 12560 1 20 . 1 1 120 120 ALA CA C 120 53.306 53.306 53.387 -0.081 18166 12561 1 20 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.651 -0.538 18166 12562 1 20 . 1 1 120 120 ALA H H 120 7.494 7.494 7.897 -0.403 18166 12563 1 20 . 1 1 121 121 ALA N N 121 123.265 123.265 122.617 0.648 18166 12564 1 20 . 1 1 121 121 ALA HA H 121 3.995 3.995 3.945 0.050 18166 12565 1 20 . 1 1 121 121 ALA CA C 121 54.792 54.792 55.140 -0.348 18166 12566 1 20 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.334 -0.530 18166 12567 1 20 . 1 1 121 121 ALA H H 121 7.914 7.914 7.258 0.656 18166 12568 1 20 . 1 1 122 122 ASP N N 122 118.732 118.732 118.359 0.373 18166 12569 1 20 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.330 -0.059 18166 12570 1 20 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.568 -1.326 18166 12571 1 20 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.877 -1.762 18166 12572 1 20 . 1 1 122 122 ASP H H 122 8.964 8.964 7.981 0.983 18166 12573 1 20 . 1 1 123 123 GLY N N 123 108.568 108.568 107.056 1.512 18166 12574 1 20 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.719 -0.105 18166 12575 1 20 . 1 1 123 123 GLY H H 123 7.572 7.572 7.547 0.025 18166 12576 1 20 . 1 1 124 124 TYR N N 124 122.944 122.944 123.029 -0.085 18166 12577 1 20 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.742 -0.128 18166 12578 1 20 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.605 2.579 18166 12579 1 20 . 1 1 124 124 TYR CB C 124 37.897 37.897 38.063 -0.166 18166 12580 1 20 . 1 1 124 124 TYR H H 124 8.162 8.162 7.529 0.633 18166 12581 1 20 . 1 1 125 125 GLN N N 125 115.988 115.988 117.400 -1.412 18166 12582 1 20 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.557 0.318 18166 12583 1 20 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.833 -0.213 18166 12584 1 20 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.852 0.285 18166 12585 1 20 . 1 1 125 125 GLN H H 125 7.510 7.510 7.685 -0.175 18166 12586 1 20 . 1 1 126 126 ARG N N 126 118.626 118.626 119.029 -0.403 18166 12587 1 20 . 1 1 126 126 ARG HA H 126 3.933 3.933 3.996 -0.063 18166 12588 1 20 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.958 0.859 18166 12589 1 20 . 1 1 126 126 ARG CB C 126 31.092 31.092 30.222 0.870 18166 12590 1 20 . 1 1 126 126 ARG H H 126 8.139 8.139 7.513 0.626 18166 12591 1 20 . 1 1 127 127 CYS N N 127 116.985 116.985 116.892 0.093 18166 12592 1 20 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.101 -0.212 18166 12593 1 20 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.109 1.854 18166 12594 1 20 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.982 -0.216 18166 12595 1 20 . 1 1 127 127 CYS H H 127 8.097 8.097 7.680 0.417 18166 12596 1 20 . 1 1 128 128 MET N N 128 120.493 120.493 119.705 0.788 18166 12597 1 20 . 1 1 128 128 MET HA H 128 3.989 3.989 3.884 0.105 18166 12598 1 20 . 1 1 128 128 MET CA C 128 58.420 58.420 58.692 -0.272 18166 12599 1 20 . 1 1 128 128 MET CB C 128 31.539 31.539 31.811 -0.272 18166 12600 1 20 . 1 1 128 128 MET H H 128 8.163 8.163 8.015 0.148 18166 12601 1 20 . 1 1 129 129 MET N N 129 115.583 115.583 117.402 -1.819 18166 12602 1 20 . 1 1 129 129 MET HA H 129 4.211 4.211 4.294 -0.083 18166 12603 1 20 . 1 1 129 129 MET CA C 129 56.677 56.677 57.684 -1.007 18166 12604 1 20 . 1 1 129 129 MET CB C 129 31.951 31.951 32.147 -0.196 18166 12605 1 20 . 1 1 129 129 MET H H 129 7.723 7.723 7.505 0.218 18166 12606 1 20 . 1 1 130 130 ALA N N 130 121.061 121.061 121.172 -0.111 18166 12607 1 20 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.863 0.045 18166 12608 1 20 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.272 -1.192 18166 12609 1 20 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.873 -1.369 18166 12610 1 20 . 1 1 130 130 ALA H H 130 7.458 7.458 7.631 -0.173 18166 12611 1 20 . 1 1 131 131 GLN N N 131 114.560 114.560 116.017 -1.457 18166 12612 1 20 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.180 -0.174 18166 12613 1 20 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.676 -0.873 18166 12614 1 20 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.124 -0.019 18166 12615 1 20 . 1 1 131 131 GLN H H 131 7.214 7.214 7.363 -0.149 18166 12616 1 20 . 1 1 132 132 TYR N N 132 117.856 117.856 117.806 0.050 18166 12617 1 20 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.687 -0.045 18166 12618 1 20 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.499 2.059 18166 12619 1 20 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.841 1.471 18166 12620 1 20 . 1 1 132 132 TYR H H 132 7.545 7.545 7.294 0.251 18166 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 127 2.659 0.095 2.668 18166 2 1 1 "Average Difference" HA 136 0.331 0.099 0.317 18166 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18166 4 1 1 "Average Difference" CA 129 1.121 0.009 1.125 18166 5 1 1 "Average Difference" CB 122 1.128 0.419 1.051 18166 6 1 1 "Average Difference" HN 127 0.568 -0.096 0.562 18166 7 1 2 "Average Difference" N 127 2.636 0.273 2.633 18166 8 1 2 "Average Difference" HA 136 0.298 0.102 0.281 18166 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18166 10 1 2 "Average Difference" CA 129 1.186 0.019 1.190 18166 11 1 2 "Average Difference" CB 122 1.032 0.388 0.960 18166 12 1 2 "Average Difference" HN 127 0.569 -0.121 0.558 18166 13 1 3 "Average Difference" N 127 2.815 0.207 2.818 18166 14 1 3 "Average Difference" HA 136 0.324 0.091 0.312 18166 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18166 16 1 3 "Average Difference" CA 129 1.172 -0.009 1.176 18166 17 1 3 "Average Difference" CB 122 1.069 0.374 1.006 18166 18 1 3 "Average Difference" HN 127 0.576 -0.089 0.571 18166 19 1 4 "Average Difference" N 127 2.631 0.189 2.634 18166 20 1 4 "Average Difference" HA 136 0.324 0.102 0.309 18166 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18166 22 1 4 "Average Difference" CA 129 1.061 -0.014 1.065 18166 23 1 4 "Average Difference" CB 122 1.051 0.368 0.988 18166 24 1 4 "Average Difference" HN 127 0.533 -0.100 0.526 18166 25 1 5 "Average Difference" N 127 2.780 0.146 2.787 18166 26 1 5 "Average Difference" HA 136 0.336 0.097 0.323 18166 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18166 28 1 5 "Average Difference" CA 129 1.204 -0.044 1.208 18166 29 1 5 "Average Difference" CB 122 1.137 0.467 1.041 18166 30 1 5 "Average Difference" HN 127 0.551 -0.101 0.544 18166 31 1 6 "Average Difference" N 127 2.654 0.137 2.661 18166 32 1 6 "Average Difference" HA 136 0.330 0.096 0.317 18166 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18166 34 1 6 "Average Difference" CA 129 0.999 -0.019 1.002 18166 35 1 6 "Average Difference" CB 122 1.140 0.422 1.064 18166 36 1 6 "Average Difference" HN 127 0.547 -0.104 0.539 18166 37 1 7 "Average Difference" N 127 2.699 0.352 2.686 18166 38 1 7 "Average Difference" HA 136 0.319 0.101 0.304 18166 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18166 40 1 7 "Average Difference" CA 129 1.166 0.033 1.170 18166 41 1 7 "Average Difference" CB 122 1.055 0.431 0.967 18166 42 1 7 "Average Difference" HN 127 0.527 -0.102 0.519 18166 43 1 8 "Average Difference" N 127 3.123 0.280 3.123 18166 44 1 8 "Average Difference" HA 136 0.332 0.081 0.323 18166 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18166 46 1 8 "Average Difference" CA 129 1.102 0.015 1.106 18166 47 1 8 "Average Difference" CB 122 1.080 0.378 1.016 18166 48 1 8 "Average Difference" HN 127 0.554 -0.111 0.545 18166 49 1 9 "Average Difference" N 127 2.581 -0.061 2.591 18166 50 1 9 "Average Difference" HA 136 0.348 0.117 0.329 18166 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18166 52 1 9 "Average Difference" CA 129 1.159 -0.062 1.162 18166 53 1 9 "Average Difference" CB 122 1.122 0.459 1.028 18166 54 1 9 "Average Difference" HN 127 0.555 -0.097 0.549 18166 55 1 10 "Average Difference" N 127 2.645 0.107 2.653 18166 56 1 10 "Average Difference" HA 136 0.320 0.085 0.309 18166 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18166 58 1 10 "Average Difference" CA 129 1.165 -0.052 1.168 18166 59 1 10 "Average Difference" CB 122 1.126 0.423 1.048 18166 60 1 10 "Average Difference" HN 127 0.573 -0.100 0.566 18166 61 1 11 "Average Difference" N 127 2.683 0.143 2.689 18166 62 1 11 "Average Difference" HA 136 0.334 0.095 0.321 18166 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18166 64 1 11 "Average Difference" CA 129 1.159 -0.057 1.162 18166 65 1 11 "Average Difference" CB 122 1.084 0.426 1.000 18166 66 1 11 "Average Difference" HN 127 0.558 -0.090 0.553 18166 67 1 12 "Average Difference" N 127 2.731 0.152 2.737 18166 68 1 12 "Average Difference" HA 136 0.331 0.080 0.323 18166 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18166 70 1 12 "Average Difference" CA 129 1.157 0.015 1.161 18166 71 1 12 "Average Difference" CB 122 1.052 0.436 0.961 18166 72 1 12 "Average Difference" HN 127 0.549 -0.106 0.541 18166 73 1 13 "Average Difference" N 127 2.611 0.227 2.611 18166 74 1 13 "Average Difference" HA 136 0.328 0.078 0.320 18166 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18166 76 1 13 "Average Difference" CA 129 1.201 0.020 1.206 18166 77 1 13 "Average Difference" CB 122 1.071 0.443 0.979 18166 78 1 13 "Average Difference" HN 127 0.520 -0.103 0.512 18166 79 1 14 "Average Difference" N 127 2.723 -0.047 2.734 18166 80 1 14 "Average Difference" HA 136 0.342 0.092 0.330 18166 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18166 82 1 14 "Average Difference" CA 129 1.204 -0.028 1.209 18166 83 1 14 "Average Difference" CB 122 1.115 0.387 1.050 18166 84 1 14 "Average Difference" HN 127 0.553 -0.096 0.547 18166 85 1 15 "Average Difference" N 127 2.757 0.123 2.765 18166 86 1 15 "Average Difference" HA 136 0.320 0.076 0.312 18166 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18166 88 1 15 "Average Difference" CA 129 1.172 -0.027 1.177 18166 89 1 15 "Average Difference" CB 122 1.073 0.396 1.001 18166 90 1 15 "Average Difference" HN 127 0.581 -0.105 0.573 18166 91 1 16 "Average Difference" N 127 2.573 0.329 2.562 18166 92 1 16 "Average Difference" HA 136 0.371 0.071 0.365 18166 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18166 94 1 16 "Average Difference" CA 129 1.057 -0.046 1.060 18166 95 1 16 "Average Difference" CB 122 1.066 0.334 1.017 18166 96 1 16 "Average Difference" HN 127 0.552 -0.130 0.539 18166 97 1 17 "Average Difference" N 127 2.785 0.090 2.794 18166 98 1 17 "Average Difference" HA 136 0.357 0.103 0.343 18166 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18166 100 1 17 "Average Difference" CA 129 1.190 -0.007 1.195 18166 101 1 17 "Average Difference" CB 122 1.121 0.404 1.050 18166 102 1 17 "Average Difference" HN 127 0.573 -0.093 0.567 18166 103 1 18 "Average Difference" N 127 2.502 0.214 2.502 18166 104 1 18 "Average Difference" HA 136 0.353 0.077 0.346 18166 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18166 106 1 18 "Average Difference" CA 129 1.132 -0.020 1.136 18166 107 1 18 "Average Difference" CB 122 1.050 0.387 0.980 18166 108 1 18 "Average Difference" HN 127 0.510 -0.112 0.500 18166 109 1 19 "Average Difference" N 127 2.618 0.267 2.614 18166 110 1 19 "Average Difference" HA 136 0.335 0.083 0.325 18166 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18166 112 1 19 "Average Difference" CA 129 1.148 0.030 1.152 18166 113 1 19 "Average Difference" CB 122 1.026 0.355 0.966 18166 114 1 19 "Average Difference" HN 127 0.531 -0.116 0.520 18166 115 1 20 "Average Difference" N 127 2.740 0.151 2.747 18166 116 1 20 "Average Difference" HA 136 0.334 0.056 0.330 18166 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18166 118 1 20 "Average Difference" CA 129 1.124 0.048 1.127 18166 119 1 20 "Average Difference" CB 122 1.100 0.384 1.035 18166 120 1 20 "Average Difference" HN 127 0.542 -0.111 0.532 18166 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 18166 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 109.986 109.986 110.568 -0.582 18166 2 1 . 1 1 2 2 GLY CA C 2 44.810 44.810 45.060 -0.250 18166 3 1 . 1 1 2 2 GLY H H 2 8.520 8.520 8.471 0.049 18166 4 1 . 1 1 3 3 HIS N N 3 117.442 117.442 120.373 -2.931 18166 5 1 . 1 1 3 3 HIS HA H 3 4.620 4.620 4.529 0.091 18166 6 1 . 1 1 3 3 HIS CB C 3 28.428 28.428 29.886 -1.458 18166 7 1 . 1 1 3 3 HIS H H 3 8.406 8.406 8.222 0.184 18166 8 1 . 1 1 4 4 HIS N N 4 118.932 118.932 121.916 -2.984 18166 9 1 . 1 1 4 4 HIS HA H 4 4.628 4.628 4.510 0.117 18166 10 1 . 1 1 4 4 HIS CA C 4 54.907 54.907 56.253 -1.346 18166 11 1 . 1 1 4 4 HIS CB C 4 28.198 28.198 30.414 -2.216 18166 12 1 . 1 1 4 4 HIS H H 4 8.552 8.552 8.369 0.183 18166 13 1 . 1 1 5 5 HIS N N 5 119.580 119.580 120.453 -0.873 18166 14 1 . 1 1 5 5 HIS HA H 5 4.648 4.648 4.557 0.091 18166 15 1 . 1 1 5 5 HIS CA C 5 55.133 55.133 55.778 -0.645 18166 16 1 . 1 1 5 5 HIS CB C 5 28.761 28.761 30.253 -1.492 18166 17 1 . 1 1 5 5 HIS H H 5 8.615 8.615 8.313 0.302 18166 18 1 . 1 1 6 6 HIS N N 6 121.369 121.369 122.317 -0.948 18166 19 1 . 1 1 6 6 HIS HA H 6 4.648 4.648 4.492 0.156 18166 20 1 . 1 1 6 6 HIS CA C 6 54.949 54.949 55.929 -0.980 18166 21 1 . 1 1 6 6 HIS CB C 6 29.100 29.100 30.029 -0.929 18166 22 1 . 1 1 6 6 HIS H H 6 8.732 8.732 8.288 0.444 18166 23 1 . 1 1 7 7 HIS N N 7 120.276 120.276 122.176 -1.900 18166 24 1 . 1 1 7 7 HIS HA H 7 4.642 4.642 4.487 0.155 18166 25 1 . 1 1 7 7 HIS CA C 7 55.147 55.147 56.478 -1.331 18166 26 1 . 1 1 7 7 HIS CB C 7 28.825 28.825 29.987 -1.162 18166 27 1 . 1 1 7 7 HIS H H 7 8.708 8.708 8.425 0.283 18166 28 1 . 1 1 8 8 HIS N N 8 120.007 120.007 121.107 -1.100 18166 29 1 . 1 1 8 8 HIS HA H 8 4.696 4.696 4.601 0.095 18166 30 1 . 1 1 8 8 HIS CA C 8 54.861 54.861 55.654 -0.792 18166 31 1 . 1 1 8 8 HIS CB C 8 28.696 28.696 30.025 -1.329 18166 32 1 . 1 1 8 8 HIS H H 8 8.708 8.708 8.245 0.463 18166 33 1 . 1 1 9 9 SER N N 9 117.977 117.977 117.163 0.814 18166 34 1 . 1 1 9 9 SER HA H 9 4.404 4.404 4.440 -0.036 18166 35 1 . 1 1 9 9 SER CA C 9 57.718 57.718 58.171 -0.453 18166 36 1 . 1 1 9 9 SER CB C 9 63.246 63.246 63.843 -0.597 18166 37 1 . 1 1 9 9 SER H H 9 8.535 8.535 8.217 0.318 18166 38 1 . 1 1 10 10 HIS N N 10 120.441 120.441 122.658 -2.217 18166 39 1 . 1 1 10 10 HIS HA H 10 4.695 4.695 4.631 0.064 18166 40 1 . 1 1 10 10 HIS H H 10 8.744 8.744 8.499 0.245 18166 41 1 . 1 1 11 11 MET N N 11 122.004 122.004 119.978 2.026 18166 42 1 . 1 1 11 11 MET HA H 11 4.427 4.427 4.281 0.146 18166 43 1 . 1 1 11 11 MET CA C 11 54.665 54.665 56.827 -2.162 18166 44 1 . 1 1 11 11 MET CB C 11 32.913 32.913 32.727 0.186 18166 45 1 . 1 1 11 11 MET H H 11 8.443 8.443 8.333 0.110 18166 46 1 . 1 1 12 12 ASN N N 12 121.852 121.852 117.656 4.196 18166 47 1 . 1 1 12 12 ASN HA H 12 4.937 4.937 4.900 0.037 18166 48 1 . 1 1 12 12 ASN CA C 12 51.380 51.380 51.742 -0.362 18166 49 1 . 1 1 12 12 ASN CB C 12 38.313 38.313 38.895 -0.582 18166 50 1 . 1 1 12 12 ASN H H 12 8.631 8.631 8.042 0.589 18166 51 1 . 1 1 13 13 PRO HA H 13 4.360 4.360 4.333 0.027 18166 52 1 . 1 1 13 13 PRO CA C 13 63.149 63.149 64.396 -1.247 18166 53 1 . 1 1 13 13 PRO CB C 13 31.752 31.752 32.209 -0.457 18166 54 1 . 1 1 14 14 ASP N N 14 119.643 119.643 115.736 3.907 18166 55 1 . 1 1 14 14 ASP HA H 14 4.543 4.543 4.670 -0.127 18166 56 1 . 1 1 14 14 ASP CA C 14 54.028 54.028 53.829 0.199 18166 57 1 . 1 1 14 14 ASP CB C 14 39.762 39.762 41.595 -1.833 18166 58 1 . 1 1 14 14 ASP H H 14 8.344 8.344 7.814 0.530 18166 59 1 . 1 1 15 15 LEU N N 15 123.333 123.333 125.965 -2.632 18166 60 1 . 1 1 15 15 LEU HA H 15 4.149 4.149 4.108 0.041 18166 61 1 . 1 1 15 15 LEU CA C 15 56.443 56.443 57.613 -1.171 18166 62 1 . 1 1 15 15 LEU CB C 15 41.376 41.376 41.917 -0.541 18166 63 1 . 1 1 15 15 LEU H H 15 8.119 8.119 8.714 -0.595 18166 64 1 . 1 1 16 16 ALA N N 16 121.879 121.879 120.574 1.305 18166 65 1 . 1 1 16 16 ALA HA H 16 4.114 4.114 4.094 0.020 18166 66 1 . 1 1 16 16 ALA CA C 16 53.370 53.370 54.509 -1.139 18166 67 1 . 1 1 16 16 ALA CB C 16 18.048 18.048 18.638 -0.590 18166 68 1 . 1 1 16 16 ALA H H 16 8.212 8.212 7.981 0.231 18166 69 1 . 1 1 17 17 LEU N N 17 118.990 118.990 115.551 3.439 18166 70 1 . 1 1 17 17 LEU HA H 17 4.139 4.139 4.351 -0.212 18166 71 1 . 1 1 17 17 LEU CA C 17 56.109 56.109 57.301 -1.192 18166 72 1 . 1 1 17 17 LEU CB C 17 41.376 41.376 42.015 -0.639 18166 73 1 . 1 1 17 17 LEU H H 17 7.719 7.719 7.586 0.133 18166 74 1 . 1 1 18 18 MET N N 18 118.534 118.534 118.167 0.367 18166 75 1 . 1 1 18 18 MET HA H 18 4.274 4.274 4.326 -0.052 18166 76 1 . 1 1 18 18 MET CA C 18 56.497 56.497 56.878 -0.381 18166 77 1 . 1 1 18 18 MET CB C 18 31.787 31.787 31.468 0.319 18166 78 1 . 1 1 18 18 MET H H 18 7.996 7.996 7.609 0.387 18166 79 1 . 1 1 19 19 VAL N N 19 119.243 119.243 119.310 -0.067 18166 80 1 . 1 1 19 19 VAL HA H 19 3.833 3.833 3.774 0.059 18166 81 1 . 1 1 19 19 VAL CA C 19 63.734 63.734 65.299 -1.565 18166 82 1 . 1 1 19 19 VAL CB C 19 31.656 31.656 31.596 0.060 18166 83 1 . 1 1 19 19 VAL H H 19 7.915 7.915 7.793 0.122 18166 84 1 . 1 1 20 20 LYS N N 20 123.321 123.321 118.473 4.848 18166 85 1 . 1 1 20 20 LYS HA H 20 3.977 3.977 4.161 -0.183 18166 86 1 . 1 1 20 20 LYS CA C 20 58.343 58.343 59.362 -1.019 18166 87 1 . 1 1 20 20 LYS CB C 20 31.996 31.996 31.772 0.224 18166 88 1 . 1 1 20 20 LYS H H 20 8.139 8.139 7.693 0.446 18166 89 1 . 1 1 21 21 ASN N N 21 118.732 118.732 119.352 -0.620 18166 90 1 . 1 1 21 21 ASN HA H 21 4.578 4.578 4.516 0.062 18166 91 1 . 1 1 21 21 ASN CA C 21 54.240 54.240 56.096 -1.856 18166 92 1 . 1 1 21 21 ASN CB C 21 37.739 37.739 38.264 -0.525 18166 93 1 . 1 1 21 21 ASN H H 21 8.349 8.349 7.806 0.543 18166 94 1 . 1 1 22 22 LYS N N 22 121.941 121.941 119.618 2.323 18166 95 1 . 1 1 22 22 LYS HA H 22 4.024 4.024 4.341 -0.317 18166 96 1 . 1 1 22 22 LYS CA C 22 58.310 58.310 58.643 -0.333 18166 97 1 . 1 1 22 22 LYS CB C 22 31.519 31.519 31.597 -0.078 18166 98 1 . 1 1 22 22 LYS H H 22 8.185 8.185 7.466 0.719 18166 99 1 . 1 1 23 23 GLY N N 23 107.792 107.792 108.410 -0.618 18166 100 1 . 1 1 23 23 GLY CA C 23 47.766 47.766 46.857 0.908 18166 101 1 . 1 1 23 23 GLY H H 23 8.336 8.336 7.967 0.369 18166 102 1 . 1 1 24 24 ASN N N 24 120.049 120.049 120.242 -0.193 18166 103 1 . 1 1 24 24 ASN HA H 24 4.584 4.584 4.632 -0.048 18166 104 1 . 1 1 24 24 ASN CA C 24 55.201 55.201 55.644 -0.443 18166 105 1 . 1 1 24 24 ASN CB C 24 37.570 37.570 38.735 -1.165 18166 106 1 . 1 1 24 24 ASN H H 24 8.337 8.337 8.042 0.295 18166 107 1 . 1 1 25 25 GLU N N 25 121.510 121.510 120.864 0.646 18166 108 1 . 1 1 25 25 GLU HA H 25 4.047 4.047 4.093 -0.046 18166 109 1 . 1 1 25 25 GLU CA C 25 58.976 58.976 59.227 -0.251 18166 110 1 . 1 1 25 25 GLU CB C 25 29.103 29.103 29.465 -0.362 18166 111 1 . 1 1 25 25 GLU H H 25 8.366 8.366 7.920 0.446 18166 112 1 . 1 1 26 26 CYS N N 26 116.512 116.512 118.317 -1.805 18166 113 1 . 1 1 26 26 CYS HA H 26 4.102 4.102 4.057 0.045 18166 114 1 . 1 1 26 26 CYS CA C 26 63.004 63.004 63.083 -0.079 18166 115 1 . 1 1 26 26 CYS CB C 26 26.256 26.256 26.190 0.066 18166 116 1 . 1 1 26 26 CYS H H 26 8.092 8.092 7.945 0.147 18166 117 1 . 1 1 27 27 PHE N N 27 122.066 122.066 120.309 1.757 18166 118 1 . 1 1 27 27 PHE HA H 27 3.752 3.752 4.270 -0.518 18166 119 1 . 1 1 27 27 PHE CA C 27 61.480 61.480 61.225 0.255 18166 120 1 . 1 1 27 27 PHE CB C 27 39.902 39.902 38.706 1.196 18166 121 1 . 1 1 27 27 PHE H H 27 8.756 8.756 7.733 1.023 18166 122 1 . 1 1 28 28 GLN N N 28 119.430 119.430 118.744 0.686 18166 123 1 . 1 1 28 28 GLN HA H 28 4.016 4.016 4.065 -0.049 18166 124 1 . 1 1 28 28 GLN CA C 28 58.125 58.125 57.951 0.174 18166 125 1 . 1 1 28 28 GLN CB C 28 28.210 28.210 28.248 -0.038 18166 126 1 . 1 1 28 28 GLN H H 28 8.574 8.574 7.974 0.600 18166 127 1 . 1 1 29 29 LYS N N 29 116.011 116.011 117.128 -1.117 18166 128 1 . 1 1 29 29 LYS HA H 29 4.244 4.244 4.265 -0.021 18166 129 1 . 1 1 29 29 LYS CA C 29 56.098 56.098 55.728 0.370 18166 130 1 . 1 1 29 29 LYS CB C 29 32.536 32.536 32.437 0.099 18166 131 1 . 1 1 29 29 LYS H H 29 7.410 7.410 7.511 -0.101 18166 132 1 . 1 1 30 30 GLY N N 30 107.636 107.636 107.679 -0.043 18166 133 1 . 1 1 30 30 GLY CA C 30 44.583 44.583 44.869 -0.286 18166 134 1 . 1 1 30 30 GLY H H 30 7.566 7.566 7.770 -0.204 18166 135 1 . 1 1 31 31 ASP N N 31 120.587 120.587 122.204 -1.617 18166 136 1 . 1 1 31 31 ASP HA H 31 4.668 4.668 4.878 -0.210 18166 137 1 . 1 1 31 31 ASP CA C 31 51.041 51.041 53.380 -2.339 18166 138 1 . 1 1 31 31 ASP CB C 31 38.718 38.718 40.498 -1.780 18166 139 1 . 1 1 31 31 ASP H H 31 7.826 7.826 7.764 0.062 18166 140 1 . 1 1 32 32 TYR N N 32 120.190 120.190 124.049 -3.859 18166 141 1 . 1 1 32 32 TYR HA H 32 3.772 3.772 4.543 -0.771 18166 142 1 . 1 1 32 32 TYR CA C 32 62.254 62.254 61.816 0.438 18166 143 1 . 1 1 32 32 TYR H H 32 7.313 7.313 8.354 -1.041 18166 144 1 . 1 1 33 33 PRO HA H 33 4.220 4.220 4.321 -0.101 18166 145 1 . 1 1 33 33 PRO CA C 33 66.355 66.355 65.703 0.652 18166 146 1 . 1 1 33 33 PRO CB C 33 31.287 31.287 31.551 -0.265 18166 147 1 . 1 1 34 34 GLN N N 34 115.797 115.797 117.830 -2.033 18166 148 1 . 1 1 34 34 GLN HA H 34 3.925 3.925 3.971 -0.046 18166 149 1 . 1 1 34 34 GLN CA C 34 58.164 58.164 58.561 -0.396 18166 150 1 . 1 1 34 34 GLN CB C 34 28.378 28.378 27.519 0.859 18166 151 1 . 1 1 34 34 GLN H H 34 7.278 7.278 8.519 -1.241 18166 152 1 . 1 1 35 35 ALA N N 35 121.852 121.852 122.120 -0.268 18166 153 1 . 1 1 35 35 ALA HA H 35 4.072 4.072 3.832 0.240 18166 154 1 . 1 1 35 35 ALA CA C 35 55.597 55.597 54.805 0.792 18166 155 1 . 1 1 35 35 ALA CB C 35 18.545 18.545 18.056 0.489 18166 156 1 . 1 1 35 35 ALA H H 35 8.376 8.376 7.942 0.434 18166 157 1 . 1 1 36 36 MET N N 36 116.867 116.867 117.132 -0.265 18166 158 1 . 1 1 36 36 MET HA H 36 3.887 3.887 4.139 -0.252 18166 159 1 . 1 1 36 36 MET CA C 36 59.400 59.400 58.720 0.680 18166 160 1 . 1 1 36 36 MET CB C 36 30.626 30.626 32.388 -1.762 18166 161 1 . 1 1 36 36 MET H H 36 8.538 8.538 7.731 0.807 18166 162 1 . 1 1 37 37 LYS N N 37 122.037 122.037 118.851 3.186 18166 163 1 . 1 1 37 37 LYS HA H 37 3.912 3.912 4.023 -0.111 18166 164 1 . 1 1 37 37 LYS CA C 37 59.225 59.225 59.287 -0.062 18166 165 1 . 1 1 37 37 LYS CB C 37 32.196 32.196 32.130 0.066 18166 166 1 . 1 1 37 37 LYS H H 37 7.599 7.599 7.631 -0.032 18166 167 1 . 1 1 38 38 HIS N N 38 117.718 117.718 118.177 -0.459 18166 168 1 . 1 1 38 38 HIS HA H 38 4.635 4.635 4.552 0.083 18166 169 1 . 1 1 38 38 HIS CA C 38 58.000 58.000 58.362 -0.362 18166 170 1 . 1 1 38 38 HIS CB C 38 28.000 28.000 29.682 -1.682 18166 171 1 . 1 1 38 38 HIS H H 38 7.908 7.908 7.861 0.047 18166 172 1 . 1 1 39 39 TYR N N 39 118.987 118.987 118.963 0.024 18166 173 1 . 1 1 39 39 TYR HA H 39 4.465 4.465 4.395 0.070 18166 174 1 . 1 1 39 39 TYR CA C 39 60.253 60.253 59.936 0.317 18166 175 1 . 1 1 39 39 TYR CB C 39 36.791 36.791 37.474 -0.683 18166 176 1 . 1 1 39 39 TYR H H 39 9.156 9.156 8.010 1.146 18166 177 1 . 1 1 40 40 THR N N 40 117.147 117.147 116.507 0.640 18166 178 1 . 1 1 40 40 THR HA H 40 3.872 3.872 3.900 -0.028 18166 179 1 . 1 1 40 40 THR CA C 40 67.449 67.449 67.034 0.415 18166 180 1 . 1 1 40 40 THR CB C 40 68.728 68.728 68.511 0.217 18166 181 1 . 1 1 40 40 THR H H 40 8.476 8.476 7.907 0.569 18166 182 1 . 1 1 41 41 GLU N N 41 122.067 122.067 120.481 1.586 18166 183 1 . 1 1 41 41 GLU HA H 41 3.979 3.979 4.087 -0.108 18166 184 1 . 1 1 41 41 GLU CA C 41 58.745 58.745 58.966 -0.221 18166 185 1 . 1 1 41 41 GLU CB C 41 28.723 28.723 29.015 -0.292 18166 186 1 . 1 1 41 41 GLU H H 41 7.762 7.762 7.952 -0.190 18166 187 1 . 1 1 42 42 ALA N N 42 122.040 122.040 122.022 0.018 18166 188 1 . 1 1 42 42 ALA HA H 42 3.969 3.969 4.130 -0.161 18166 189 1 . 1 1 42 42 ALA CA C 42 55.169 55.169 54.573 0.596 18166 190 1 . 1 1 42 42 ALA CB C 42 18.370 18.370 18.552 -0.182 18166 191 1 . 1 1 42 42 ALA H H 42 8.191 8.191 7.427 0.764 18166 192 1 . 1 1 43 43 ILE N N 43 122.662 122.662 118.142 4.520 18166 193 1 . 1 1 43 43 ILE HA H 43 3.316 3.316 3.810 -0.494 18166 194 1 . 1 1 43 43 ILE CA C 43 64.598 64.598 63.723 0.875 18166 195 1 . 1 1 43 43 ILE CB C 43 38.487 38.487 37.718 0.769 18166 196 1 . 1 1 43 43 ILE H H 43 8.427 8.427 7.925 0.502 18166 197 1 . 1 1 44 44 LYS N N 44 117.349 117.349 117.585 -0.236 18166 198 1 . 1 1 44 44 LYS HA H 44 3.941 3.941 4.093 -0.152 18166 199 1 . 1 1 44 44 LYS CA C 44 58.701 58.701 57.889 0.812 18166 200 1 . 1 1 44 44 LYS CB C 44 31.991 31.991 32.016 -0.025 18166 201 1 . 1 1 44 44 LYS H H 44 7.473 7.473 7.510 -0.037 18166 202 1 . 1 1 45 45 ARG N N 45 114.723 114.723 116.628 -1.905 18166 203 1 . 1 1 45 45 ARG HA H 45 4.173 4.173 4.342 -0.169 18166 204 1 . 1 1 45 45 ARG CA C 45 57.406 57.406 57.020 0.386 18166 205 1 . 1 1 45 45 ARG CB C 45 30.337 30.337 31.163 -0.826 18166 206 1 . 1 1 45 45 ARG H H 45 7.150 7.150 7.554 -0.404 18166 207 1 . 1 1 46 46 ASN N N 46 115.919 115.919 116.512 -0.593 18166 208 1 . 1 1 46 46 ASN HA H 46 5.073 5.073 5.139 -0.066 18166 209 1 . 1 1 46 46 ASN CA C 46 51.157 51.157 51.157 0.000 18166 210 1 . 1 1 46 46 ASN CB C 46 38.631 38.631 39.492 -0.861 18166 211 1 . 1 1 46 46 ASN H H 46 7.885 7.885 8.118 -0.233 18166 212 1 . 1 1 47 47 PRO HA H 47 4.732 4.732 4.650 0.082 18166 213 1 . 1 1 47 47 PRO CA C 47 64.205 64.205 64.373 -0.168 18166 214 1 . 1 1 47 47 PRO CB C 47 31.954 31.954 32.176 -0.222 18166 215 1 . 1 1 48 48 LYS N N 48 118.494 118.494 117.459 1.035 18166 216 1 . 1 1 48 48 LYS HA H 48 4.635 4.635 4.340 0.295 18166 217 1 . 1 1 48 48 LYS CA C 48 55.000 55.000 56.310 -1.310 18166 218 1 . 1 1 48 48 LYS CB C 48 31.427 31.427 31.965 -0.538 18166 219 1 . 1 1 48 48 LYS H H 48 8.154 8.154 8.199 -0.045 18166 220 1 . 1 1 49 49 ASP N N 49 119.387 119.387 121.246 -1.859 18166 221 1 . 1 1 49 49 ASP HA H 49 4.690 4.690 4.647 0.043 18166 222 1 . 1 1 49 49 ASP CA C 49 52.878 52.878 53.996 -1.117 18166 223 1 . 1 1 49 49 ASP CB C 49 40.026 40.026 40.946 -0.920 18166 224 1 . 1 1 49 49 ASP H H 49 7.317 7.317 7.617 -0.300 18166 225 1 . 1 1 50 50 ALA N N 50 128.206 128.206 128.536 -0.330 18166 226 1 . 1 1 50 50 ALA HA H 50 4.041 4.041 4.085 -0.044 18166 227 1 . 1 1 50 50 ALA CA C 50 55.564 55.564 55.005 0.559 18166 228 1 . 1 1 50 50 ALA CB C 50 20.090 20.090 18.729 1.361 18166 229 1 . 1 1 50 50 ALA H H 50 8.466 8.466 8.239 0.227 18166 230 1 . 1 1 51 51 LYS N N 51 113.628 113.628 117.247 -3.619 18166 231 1 . 1 1 51 51 LYS HA H 51 3.877 3.877 4.063 -0.186 18166 232 1 . 1 1 51 51 LYS CA C 51 59.314 59.314 58.374 0.940 18166 233 1 . 1 1 51 51 LYS CB C 51 31.320 31.320 31.222 0.098 18166 234 1 . 1 1 51 51 LYS H H 51 7.985 7.985 7.968 0.017 18166 235 1 . 1 1 52 52 LEU N N 52 117.207 117.207 120.394 -3.187 18166 236 1 . 1 1 52 52 LEU HA H 52 3.672 3.672 3.855 -0.183 18166 237 1 . 1 1 52 52 LEU CA C 52 57.278 57.278 57.528 -0.250 18166 238 1 . 1 1 52 52 LEU CB C 52 42.092 42.092 40.916 1.176 18166 239 1 . 1 1 52 52 LEU H H 52 7.323 7.323 7.620 -0.297 18166 240 1 . 1 1 53 53 TYR N N 53 116.167 116.167 117.423 -1.256 18166 241 1 . 1 1 53 53 TYR HA H 53 3.878 3.878 4.132 -0.254 18166 242 1 . 1 1 53 53 TYR CA C 53 61.573 61.573 61.141 0.432 18166 243 1 . 1 1 53 53 TYR CB C 53 38.147 38.147 37.790 0.357 18166 244 1 . 1 1 53 53 TYR H H 53 6.955 6.955 7.556 -0.601 18166 245 1 . 1 1 54 54 SER N N 54 112.799 112.799 114.329 -1.530 18166 246 1 . 1 1 54 54 SER HA H 54 3.976 3.976 4.227 -0.251 18166 247 1 . 1 1 54 54 SER CA C 54 61.200 61.200 60.862 0.338 18166 248 1 . 1 1 54 54 SER CB C 54 62.184 62.184 62.656 -0.472 18166 249 1 . 1 1 54 54 SER H H 54 7.661 7.661 8.086 -0.425 18166 250 1 . 1 1 55 55 ASN N N 55 119.126 119.126 120.367 -1.241 18166 251 1 . 1 1 55 55 ASN HA H 55 4.099 4.099 4.307 -0.208 18166 252 1 . 1 1 55 55 ASN CA C 55 55.241 55.241 55.357 -0.116 18166 253 1 . 1 1 55 55 ASN CB C 55 36.277 36.277 37.791 -1.514 18166 254 1 . 1 1 55 55 ASN H H 55 7.729 7.729 7.770 -0.041 18166 255 1 . 1 1 56 56 ARG N N 56 122.589 122.589 120.045 2.544 18166 256 1 . 1 1 56 56 ARG HA H 56 4.133 4.133 3.760 0.373 18166 257 1 . 1 1 56 56 ARG CA C 56 61.560 61.560 58.846 2.715 18166 258 1 . 1 1 56 56 ARG CB C 56 29.069 29.069 29.676 -0.607 18166 259 1 . 1 1 56 56 ARG H H 56 8.329 8.329 7.477 0.852 18166 260 1 . 1 1 57 57 ALA N N 57 122.569 122.569 121.279 1.290 18166 261 1 . 1 1 57 57 ALA HA H 57 4.260 4.260 4.226 0.034 18166 262 1 . 1 1 57 57 ALA CA C 57 56.075 56.075 54.925 1.150 18166 263 1 . 1 1 57 57 ALA CB C 57 19.889 19.889 18.339 1.550 18166 264 1 . 1 1 57 57 ALA H H 57 8.857 8.857 7.929 0.928 18166 265 1 . 1 1 58 58 ALA N N 58 120.015 120.015 120.353 -0.338 18166 266 1 . 1 1 58 58 ALA HA H 58 4.083 4.083 4.070 0.013 18166 267 1 . 1 1 58 58 ALA CA C 58 55.050 55.050 54.501 0.549 18166 268 1 . 1 1 58 58 ALA CB C 58 17.824 17.824 18.060 -0.236 18166 269 1 . 1 1 58 58 ALA H H 58 7.574 7.574 7.730 -0.156 18166 270 1 . 1 1 59 59 CYS N N 59 117.074 117.074 117.236 -0.162 18166 271 1 . 1 1 59 59 CYS HA H 59 4.062 4.062 4.218 -0.156 18166 272 1 . 1 1 59 59 CYS CA C 59 63.245 63.245 62.546 0.699 18166 273 1 . 1 1 59 59 CYS CB C 59 26.827 26.827 27.142 -0.315 18166 274 1 . 1 1 59 59 CYS H H 59 7.523 7.523 7.380 0.143 18166 275 1 . 1 1 60 60 TYR N N 60 118.554 118.554 119.499 -0.945 18166 276 1 . 1 1 60 60 TYR HA H 60 4.287 4.287 4.169 0.118 18166 277 1 . 1 1 60 60 TYR CA C 60 60.904 60.904 59.798 1.106 18166 278 1 . 1 1 60 60 TYR CB C 60 38.277 38.277 37.257 1.020 18166 279 1 . 1 1 60 60 TYR H H 60 8.684 8.684 8.088 0.596 18166 280 1 . 1 1 61 61 THR N N 61 116.951 116.951 111.977 4.974 18166 281 1 . 1 1 61 61 THR HA H 61 4.264 4.264 2.826 1.438 18166 282 1 . 1 1 61 61 THR CA C 61 67.645 67.645 65.518 2.127 18166 283 1 . 1 1 61 61 THR CB C 61 67.784 67.784 68.142 -0.358 18166 284 1 . 1 1 61 61 THR H H 61 8.572 8.572 7.934 0.638 18166 285 1 . 1 1 62 62 LYS N N 62 122.578 122.578 121.473 1.105 18166 286 1 . 1 1 62 62 LYS HA H 62 3.924 3.924 4.208 -0.284 18166 287 1 . 1 1 62 62 LYS CA C 62 57.206 57.206 58.091 -0.885 18166 288 1 . 1 1 62 62 LYS CB C 62 30.794 30.794 32.071 -1.277 18166 289 1 . 1 1 62 62 LYS H H 62 7.410 7.410 7.673 -0.263 18166 290 1 . 1 1 63 63 LEU N N 63 117.404 117.404 118.353 -0.949 18166 291 1 . 1 1 63 63 LEU HA H 63 4.216 4.216 4.358 -0.143 18166 292 1 . 1 1 63 63 LEU CA C 63 54.045 54.045 54.929 -0.884 18166 293 1 . 1 1 63 63 LEU CB C 63 41.643 41.643 42.417 -0.774 18166 294 1 . 1 1 63 63 LEU H H 63 7.397 7.397 7.594 -0.197 18166 295 1 . 1 1 64 64 LEU N N 64 113.668 113.668 115.102 -1.434 18166 296 1 . 1 1 64 64 LEU HA H 64 2.970 2.970 4.228 -1.258 18166 297 1 . 1 1 64 64 LEU CA C 64 54.818 54.818 56.244 -1.426 18166 298 1 . 1 1 64 64 LEU CB C 64 37.251 37.251 39.108 -1.857 18166 299 1 . 1 1 64 64 LEU H H 64 7.457 7.457 7.670 -0.213 18166 300 1 . 1 1 65 65 GLU N N 65 120.636 120.636 119.973 0.663 18166 301 1 . 1 1 65 65 GLU HA H 65 4.403 4.403 4.456 -0.053 18166 302 1 . 1 1 65 65 GLU CA C 65 53.230 53.230 54.993 -1.763 18166 303 1 . 1 1 65 65 GLU CB C 65 27.090 27.090 27.726 -0.636 18166 304 1 . 1 1 65 65 GLU H H 65 8.085 8.085 8.220 -0.135 18166 305 1 . 1 1 66 66 PHE N N 66 118.292 118.292 120.199 -1.907 18166 306 1 . 1 1 66 66 PHE HA H 66 4.026 4.026 4.115 -0.089 18166 307 1 . 1 1 66 66 PHE CA C 66 60.989 60.989 62.163 -1.174 18166 308 1 . 1 1 66 66 PHE CB C 66 38.283 38.283 38.773 -0.490 18166 309 1 . 1 1 66 66 PHE H H 66 6.812 6.812 7.869 -1.057 18166 310 1 . 1 1 67 67 GLN N N 67 117.166 117.166 117.749 -0.583 18166 311 1 . 1 1 67 67 GLN HA H 67 3.983 3.983 4.035 -0.052 18166 312 1 . 1 1 67 67 GLN CA C 67 58.678 58.678 58.809 -0.131 18166 313 1 . 1 1 67 67 GLN CB C 67 26.844 26.844 27.922 -1.078 18166 314 1 . 1 1 67 67 GLN H H 67 8.589 8.589 8.600 -0.011 18166 315 1 . 1 1 68 68 LEU N N 68 119.871 119.871 119.321 0.550 18166 316 1 . 1 1 68 68 LEU HA H 68 3.766 3.766 3.975 -0.209 18166 317 1 . 1 1 68 68 LEU CA C 68 57.475 57.475 56.782 0.693 18166 318 1 . 1 1 68 68 LEU CB C 68 38.020 38.020 40.820 -2.800 18166 319 1 . 1 1 68 68 LEU H H 68 7.422 7.422 7.839 -0.417 18166 320 1 . 1 1 69 69 ALA N N 69 121.380 121.380 122.050 -0.670 18166 321 1 . 1 1 69 69 ALA HA H 69 4.133 4.133 4.200 -0.067 18166 322 1 . 1 1 69 69 ALA CA C 69 55.828 55.828 55.029 0.799 18166 323 1 . 1 1 69 69 ALA CB C 69 18.507 18.507 18.447 0.060 18166 324 1 . 1 1 69 69 ALA H H 69 7.871 7.871 7.688 0.184 18166 325 1 . 1 1 70 70 LEU N N 70 118.569 118.569 118.989 -0.420 18166 326 1 . 1 1 70 70 LEU HA H 70 3.814 3.814 3.950 -0.136 18166 327 1 . 1 1 70 70 LEU CA C 70 58.579 58.579 57.791 0.788 18166 328 1 . 1 1 70 70 LEU CB C 70 40.926 40.926 41.843 -0.917 18166 329 1 . 1 1 70 70 LEU H H 70 8.519 8.519 8.169 0.350 18166 330 1 . 1 1 71 71 LYS N N 71 119.700 119.700 117.876 1.824 18166 331 1 . 1 1 71 71 LYS HA H 71 3.977 3.977 4.017 -0.040 18166 332 1 . 1 1 71 71 LYS CA C 71 59.195 59.195 59.142 0.053 18166 333 1 . 1 1 71 71 LYS H H 71 7.619 7.619 7.583 0.036 18166 334 1 . 1 1 72 72 ASP N N 72 121.506 121.506 120.570 0.936 18166 335 1 . 1 1 72 72 ASP HA H 72 4.614 4.614 4.555 0.059 18166 336 1 . 1 1 72 72 ASP CA C 72 57.293 57.293 57.531 -0.238 18166 337 1 . 1 1 72 72 ASP CB C 72 39.982 39.982 41.137 -1.155 18166 338 1 . 1 1 72 72 ASP H H 72 7.460 7.460 8.388 -0.928 18166 339 1 . 1 1 73 73 CYS N N 73 118.302 118.302 117.630 0.672 18166 340 1 . 1 1 73 73 CYS HA H 73 3.834 3.834 4.281 -0.447 18166 341 1 . 1 1 73 73 CYS CA C 73 64.687 64.687 61.392 3.295 18166 342 1 . 1 1 73 73 CYS CB C 73 26.546 26.546 27.471 -0.925 18166 343 1 . 1 1 73 73 CYS H H 73 8.366 8.366 7.664 0.702 18166 344 1 . 1 1 74 74 GLU N N 74 117.660 117.660 120.215 -2.555 18166 345 1 . 1 1 74 74 GLU HA H 74 3.901 3.901 4.082 -0.181 18166 346 1 . 1 1 74 74 GLU CA C 74 58.213 58.213 58.953 -0.740 18166 347 1 . 1 1 74 74 GLU CB C 74 28.016 28.016 29.276 -1.260 18166 348 1 . 1 1 74 74 GLU H H 74 8.244 8.244 8.132 0.112 18166 349 1 . 1 1 75 75 GLU N N 75 119.807 119.807 117.786 2.022 18166 350 1 . 1 1 75 75 GLU HA H 75 3.893 3.893 4.173 -0.280 18166 351 1 . 1 1 75 75 GLU CA C 75 58.149 58.149 58.140 0.009 18166 352 1 . 1 1 75 75 GLU CB C 75 26.674 26.674 29.763 -3.089 18166 353 1 . 1 1 75 75 GLU H H 75 7.394 7.394 7.918 -0.524 18166 354 1 . 1 1 76 76 CYS N N 76 118.342 118.342 118.895 -0.553 18166 355 1 . 1 1 76 76 CYS HA H 76 3.841 3.841 3.903 -0.062 18166 356 1 . 1 1 76 76 CYS CA C 76 64.303 64.303 61.930 2.373 18166 357 1 . 1 1 76 76 CYS CB C 76 26.371 26.371 26.617 -0.246 18166 358 1 . 1 1 76 76 CYS H H 76 7.852 7.852 7.823 0.029 18166 359 1 . 1 1 77 77 ILE N N 77 117.728 117.728 119.824 -2.096 18166 360 1 . 1 1 77 77 ILE HA H 77 3.480 3.480 4.074 -0.594 18166 361 1 . 1 1 77 77 ILE CA C 77 64.209 64.209 63.841 0.368 18166 362 1 . 1 1 77 77 ILE CB C 77 38.549 38.549 37.836 0.713 18166 363 1 . 1 1 77 77 ILE H H 77 7.897 7.897 7.484 0.413 18166 364 1 . 1 1 78 78 GLN N N 78 117.037 117.037 117.407 -0.370 18166 365 1 . 1 1 78 78 GLN HA H 78 3.905 3.905 4.124 -0.219 18166 366 1 . 1 1 78 78 GLN CA C 78 58.214 58.214 57.634 0.580 18166 367 1 . 1 1 78 78 GLN CB C 78 28.350 28.350 28.857 -0.507 18166 368 1 . 1 1 78 78 GLN H H 78 7.655 7.655 7.680 -0.025 18166 369 1 . 1 1 79 79 LEU N N 79 118.180 118.180 118.470 -0.290 18166 370 1 . 1 1 79 79 LEU HA H 79 4.095 4.095 4.280 -0.185 18166 371 1 . 1 1 79 79 LEU CA C 79 56.515 56.515 56.062 0.453 18166 372 1 . 1 1 79 79 LEU CB C 79 44.044 44.044 43.088 0.956 18166 373 1 . 1 1 79 79 LEU H H 79 8.021 8.021 7.272 0.749 18166 374 1 . 1 1 80 80 GLU N N 80 117.250 117.250 117.263 -0.013 18166 375 1 . 1 1 80 80 GLU HA H 80 4.836 4.836 4.732 0.104 18166 376 1 . 1 1 80 80 GLU CA C 80 53.542 53.542 53.300 0.242 18166 377 1 . 1 1 80 80 GLU CB C 80 30.779 30.779 31.328 -0.549 18166 378 1 . 1 1 80 80 GLU H H 80 8.403 8.403 7.881 0.522 18166 379 1 . 1 1 81 81 PRO HA H 81 4.866 4.866 4.695 0.171 18166 380 1 . 1 1 81 81 PRO CA C 81 64.745 64.745 64.417 0.328 18166 381 1 . 1 1 81 81 PRO CB C 81 31.752 31.752 32.438 -0.686 18166 382 1 . 1 1 82 82 THR N N 82 107.443 107.443 110.329 -2.886 18166 383 1 . 1 1 82 82 THR HA H 82 4.607 4.607 4.375 0.232 18166 384 1 . 1 1 82 82 THR CA C 82 61.139 61.139 60.763 0.376 18166 385 1 . 1 1 82 82 THR CB C 82 68.785 68.785 68.625 0.160 18166 386 1 . 1 1 82 82 THR H H 82 8.129 8.129 7.924 0.205 18166 387 1 . 1 1 83 83 PHE N N 83 123.490 123.490 121.511 1.979 18166 388 1 . 1 1 83 83 PHE HA H 83 5.130 5.130 4.589 0.541 18166 389 1 . 1 1 83 83 PHE CA C 83 55.712 55.712 56.324 -0.612 18166 390 1 . 1 1 83 83 PHE CB C 83 38.263 38.263 38.385 -0.122 18166 391 1 . 1 1 83 83 PHE H H 83 8.022 8.022 7.618 0.404 18166 392 1 . 1 1 84 84 ILE N N 84 131.837 131.837 125.651 6.186 18166 393 1 . 1 1 84 84 ILE HA H 84 3.950 3.950 3.691 0.259 18166 394 1 . 1 1 84 84 ILE CA C 84 64.230 64.230 64.432 -0.202 18166 395 1 . 1 1 84 84 ILE CB C 84 37.969 37.969 37.928 0.041 18166 396 1 . 1 1 84 84 ILE H H 84 8.955 8.955 8.121 0.834 18166 397 1 . 1 1 85 85 LYS N N 85 115.465 115.465 119.258 -3.793 18166 398 1 . 1 1 85 85 LYS HA H 85 4.458 4.458 4.147 0.311 18166 399 1 . 1 1 85 85 LYS CA C 85 56.336 56.336 58.314 -1.978 18166 400 1 . 1 1 85 85 LYS CB C 85 31.481 31.481 31.145 0.336 18166 401 1 . 1 1 85 85 LYS H H 85 6.000 6.000 8.202 -2.202 18166 402 1 . 1 1 86 86 GLY N N 86 103.958 103.958 107.559 -3.601 18166 403 1 . 1 1 86 86 GLY CA C 86 48.161 48.161 46.800 1.361 18166 404 1 . 1 1 86 86 GLY H H 86 6.966 6.966 8.014 -1.048 18166 405 1 . 1 1 87 87 TYR N N 87 115.851 115.851 121.394 -5.543 18166 406 1 . 1 1 87 87 TYR HA H 87 3.940 3.940 4.214 -0.274 18166 407 1 . 1 1 87 87 TYR CA C 87 60.197 60.197 60.712 -0.515 18166 408 1 . 1 1 87 87 TYR CB C 87 38.233 38.233 37.843 0.390 18166 409 1 . 1 1 87 87 TYR H H 87 6.814 6.814 7.510 -0.696 18166 410 1 . 1 1 88 88 THR N N 88 109.840 109.840 114.771 -4.931 18166 411 1 . 1 1 88 88 THR HA H 88 4.328 4.328 4.085 0.243 18166 412 1 . 1 1 88 88 THR CA C 88 66.353 66.353 66.592 -0.239 18166 413 1 . 1 1 88 88 THR CB C 88 66.371 66.371 68.498 -2.127 18166 414 1 . 1 1 88 88 THR H H 88 8.318 8.318 8.009 0.309 18166 415 1 . 1 1 89 89 ARG N N 89 121.855 121.855 120.010 1.845 18166 416 1 . 1 1 89 89 ARG HA H 89 4.077 4.077 4.302 -0.225 18166 417 1 . 1 1 89 89 ARG CA C 89 59.029 59.029 57.632 1.397 18166 418 1 . 1 1 89 89 ARG CB C 89 29.273 29.273 29.549 -0.276 18166 419 1 . 1 1 89 89 ARG H H 89 8.320 8.320 7.899 0.421 18166 420 1 . 1 1 90 90 LYS N N 90 124.436 124.436 121.207 3.229 18166 421 1 . 1 1 90 90 LYS HA H 90 3.929 3.929 4.129 -0.200 18166 422 1 . 1 1 90 90 LYS CA C 90 59.862 59.862 58.876 0.986 18166 423 1 . 1 1 90 90 LYS H H 90 7.379 7.379 8.066 -0.687 18166 424 1 . 1 1 91 91 ALA N N 91 121.179 121.179 120.390 0.789 18166 425 1 . 1 1 91 91 ALA HA H 91 3.492 3.492 3.965 -0.473 18166 426 1 . 1 1 91 91 ALA CA C 91 55.053 55.053 54.902 0.151 18166 427 1 . 1 1 91 91 ALA CB C 91 15.445 15.445 17.864 -2.419 18166 428 1 . 1 1 91 91 ALA H H 91 8.460 8.460 7.941 0.519 18166 429 1 . 1 1 92 92 ALA N N 92 118.165 118.165 121.071 -2.906 18166 430 1 . 1 1 92 92 ALA HA H 92 4.124 4.124 4.236 -0.112 18166 431 1 . 1 1 92 92 ALA CA C 92 54.867 54.867 54.723 0.144 18166 432 1 . 1 1 92 92 ALA CB C 92 18.020 18.020 18.618 -0.598 18166 433 1 . 1 1 92 92 ALA H H 92 7.871 7.871 7.703 0.168 18166 434 1 . 1 1 93 93 ALA N N 93 123.065 123.065 121.726 1.339 18166 435 1 . 1 1 93 93 ALA HA H 93 3.990 3.990 4.342 -0.352 18166 436 1 . 1 1 93 93 ALA CA C 93 55.337 55.337 54.809 0.528 18166 437 1 . 1 1 93 93 ALA CB C 93 16.621 16.621 18.611 -1.991 18166 438 1 . 1 1 93 93 ALA H H 93 7.649 7.649 7.732 -0.083 18166 439 1 . 1 1 94 94 LEU N N 94 117.762 117.762 119.467 -1.705 18166 440 1 . 1 1 94 94 LEU HA H 94 4.116 4.116 3.858 0.258 18166 441 1 . 1 1 94 94 LEU CA C 94 57.650 57.650 57.630 0.020 18166 442 1 . 1 1 94 94 LEU CB C 94 41.802 41.802 41.459 0.343 18166 443 1 . 1 1 94 94 LEU H H 94 7.847 7.847 8.267 -0.420 18166 444 1 . 1 1 95 95 GLU N N 95 121.139 121.139 119.140 1.999 18166 445 1 . 1 1 95 95 GLU HA H 95 3.355 3.355 4.039 -0.684 18166 446 1 . 1 1 95 95 GLU CA C 95 59.128 59.128 59.550 -0.422 18166 447 1 . 1 1 95 95 GLU CB C 95 29.393 29.393 29.722 -0.329 18166 448 1 . 1 1 95 95 GLU H H 95 8.971 8.971 8.316 0.655 18166 449 1 . 1 1 96 96 ALA N N 96 124.630 124.630 119.533 5.097 18166 450 1 . 1 1 96 96 ALA HA H 96 3.951 3.951 4.113 -0.161 18166 451 1 . 1 1 96 96 ALA CA C 96 54.572 54.572 53.789 0.783 18166 452 1 . 1 1 96 96 ALA CB C 96 17.359 17.359 18.464 -1.105 18166 453 1 . 1 1 96 96 ALA H H 96 7.890 7.890 7.612 0.278 18166 454 1 . 1 1 97 97 MET N N 97 115.484 115.484 116.734 -1.250 18166 455 1 . 1 1 97 97 MET HA H 97 3.714 3.714 4.434 -0.720 18166 456 1 . 1 1 97 97 MET CA C 97 56.071 56.071 53.898 2.173 18166 457 1 . 1 1 97 97 MET CB C 97 33.654 33.654 32.208 1.446 18166 458 1 . 1 1 97 97 MET H H 97 7.155 7.155 7.415 -0.260 18166 459 1 . 1 1 98 98 LYS N N 98 112.882 112.882 114.590 -1.708 18166 460 1 . 1 1 98 98 LYS HA H 98 2.730 2.730 3.194 -0.464 18166 461 1 . 1 1 98 98 LYS CA C 98 56.752 56.752 57.303 -0.552 18166 462 1 . 1 1 98 98 LYS CB C 98 28.120 28.120 29.140 -1.020 18166 463 1 . 1 1 98 98 LYS H H 98 7.597 7.597 7.503 0.094 18166 464 1 . 1 1 99 99 ASP N N 99 120.642 120.642 120.523 0.119 18166 465 1 . 1 1 99 99 ASP HA H 99 4.837 4.837 4.717 0.120 18166 466 1 . 1 1 99 99 ASP CA C 99 50.762 50.762 53.279 -2.517 18166 467 1 . 1 1 99 99 ASP CB C 99 37.679 37.679 39.112 -1.433 18166 468 1 . 1 1 99 99 ASP H H 99 7.888 7.888 8.007 -0.119 18166 469 1 . 1 1 100 100 TYR N N 100 117.948 117.948 119.578 -1.630 18166 470 1 . 1 1 100 100 TYR HA H 100 3.945 3.945 4.183 -0.238 18166 471 1 . 1 1 100 100 TYR CA C 100 61.934 61.934 60.678 1.256 18166 472 1 . 1 1 100 100 TYR CB C 100 37.639 37.639 37.177 0.462 18166 473 1 . 1 1 100 100 TYR H H 100 6.984 6.984 7.113 -0.129 18166 474 1 . 1 1 101 101 THR N N 101 113.752 113.752 109.667 4.085 18166 475 1 . 1 1 101 101 THR HA H 101 4.008 4.008 4.070 -0.062 18166 476 1 . 1 1 101 101 THR CA C 101 65.857 65.857 65.215 0.642 18166 477 1 . 1 1 101 101 THR CB C 101 67.689 67.689 68.359 -0.670 18166 478 1 . 1 1 101 101 THR H H 101 8.543 8.543 8.387 0.156 18166 479 1 . 1 1 102 102 LYS N N 102 120.641 120.641 120.727 -0.086 18166 480 1 . 1 1 102 102 LYS HA H 102 4.142 4.142 4.495 -0.353 18166 481 1 . 1 1 102 102 LYS CA C 102 59.086 59.086 57.346 1.740 18166 482 1 . 1 1 102 102 LYS CB C 102 32.179 32.179 32.068 0.111 18166 483 1 . 1 1 102 102 LYS H H 102 7.348 7.348 7.670 -0.322 18166 484 1 . 1 1 103 103 ALA N N 103 120.302 120.302 123.507 -3.205 18166 485 1 . 1 1 103 103 ALA HA H 103 3.665 3.665 3.959 -0.294 18166 486 1 . 1 1 103 103 ALA CA C 103 55.656 55.656 55.339 0.317 18166 487 1 . 1 1 103 103 ALA CB C 103 18.889 18.889 18.550 0.339 18166 488 1 . 1 1 103 103 ALA H H 103 8.344 8.344 8.327 0.017 18166 489 1 . 1 1 104 104 MET N N 104 116.430 116.430 114.812 1.618 18166 490 1 . 1 1 104 104 MET HA H 104 3.939 3.939 4.447 -0.508 18166 491 1 . 1 1 104 104 MET CA C 104 61.020 61.020 59.143 1.877 18166 492 1 . 1 1 104 104 MET CB C 104 33.904 33.904 32.360 1.544 18166 493 1 . 1 1 104 104 MET H H 104 8.375 8.375 8.304 0.071 18166 494 1 . 1 1 105 105 ASP N N 105 117.449 117.449 120.552 -3.103 18166 495 1 . 1 1 105 105 ASP HA H 105 4.510 4.510 4.486 0.024 18166 496 1 . 1 1 105 105 ASP CA C 105 57.113 57.113 57.694 -0.581 18166 497 1 . 1 1 105 105 ASP CB C 105 40.209 40.209 40.647 -0.438 18166 498 1 . 1 1 105 105 ASP H H 105 7.319 7.319 8.034 -0.715 18166 499 1 . 1 1 106 106 VAL N N 106 121.168 121.168 120.088 1.080 18166 500 1 . 1 1 106 106 VAL HA H 106 3.750 3.750 3.721 0.029 18166 501 1 . 1 1 106 106 VAL CA C 106 65.980 65.980 65.441 0.539 18166 502 1 . 1 1 106 106 VAL CB C 106 30.761 30.761 31.615 -0.854 18166 503 1 . 1 1 106 106 VAL H H 106 7.825 7.825 7.507 0.318 18166 504 1 . 1 1 107 107 TYR N N 107 120.714 120.714 119.763 0.951 18166 505 1 . 1 1 107 107 TYR HA H 107 4.271 4.271 4.127 0.144 18166 506 1 . 1 1 107 107 TYR CA C 107 62.453 62.453 61.520 0.933 18166 507 1 . 1 1 107 107 TYR CB C 107 38.154 38.154 37.598 0.556 18166 508 1 . 1 1 107 107 TYR H H 107 9.215 9.215 8.449 0.766 18166 509 1 . 1 1 108 108 GLN N N 108 117.293 117.293 118.764 -1.471 18166 510 1 . 1 1 108 108 GLN HA H 108 3.833 3.833 3.688 0.145 18166 511 1 . 1 1 108 108 GLN CA C 108 58.702 58.702 58.744 -0.042 18166 512 1 . 1 1 108 108 GLN CB C 108 28.245 28.245 28.185 0.060 18166 513 1 . 1 1 108 108 GLN H H 108 8.605 8.605 7.826 0.779 18166 514 1 . 1 1 109 109 LYS N N 109 120.342 120.342 118.412 1.930 18166 515 1 . 1 1 109 109 LYS HA H 109 4.002 4.002 3.990 0.012 18166 516 1 . 1 1 109 109 LYS CA C 109 58.537 58.537 58.147 0.390 18166 517 1 . 1 1 109 109 LYS CB C 109 31.022 31.022 31.851 -0.830 18166 518 1 . 1 1 109 109 LYS H H 109 7.571 7.571 7.897 -0.326 18166 519 1 . 1 1 110 110 ALA N N 110 119.851 119.851 122.531 -2.680 18166 520 1 . 1 1 110 110 ALA HA H 110 3.779 3.779 3.949 -0.170 18166 521 1 . 1 1 110 110 ALA CA C 110 55.052 55.052 54.991 0.061 18166 522 1 . 1 1 110 110 ALA CB C 110 17.688 17.688 18.308 -0.620 18166 523 1 . 1 1 110 110 ALA H H 110 7.693 7.693 7.780 -0.087 18166 524 1 . 1 1 111 111 LEU N N 111 117.859 117.859 117.750 0.109 18166 525 1 . 1 1 111 111 LEU HA H 111 4.077 4.077 4.124 -0.047 18166 526 1 . 1 1 111 111 LEU CA C 111 56.211 56.211 57.046 -0.835 18166 527 1 . 1 1 111 111 LEU CB C 111 41.809 41.809 41.748 0.061 18166 528 1 . 1 1 111 111 LEU H H 111 7.811 7.811 7.975 -0.164 18166 529 1 . 1 1 112 112 ASP N N 112 118.421 118.421 118.388 0.033 18166 530 1 . 1 1 112 112 ASP HA H 112 4.251 4.251 4.390 -0.139 18166 531 1 . 1 1 112 112 ASP CA C 112 55.762 55.762 56.481 -0.719 18166 532 1 . 1 1 112 112 ASP CB C 112 39.195 39.195 41.174 -1.979 18166 533 1 . 1 1 112 112 ASP H H 112 8.099 8.099 7.744 0.355 18166 534 1 . 1 1 113 113 LEU N N 113 120.299 120.299 118.754 1.545 18166 535 1 . 1 1 113 113 LEU HA H 113 4.157 4.157 4.118 0.039 18166 536 1 . 1 1 113 113 LEU CA C 113 56.534 56.534 56.477 0.057 18166 537 1 . 1 1 113 113 LEU CB C 113 42.479 42.479 42.609 -0.130 18166 538 1 . 1 1 113 113 LEU H H 113 7.319 7.319 7.457 -0.138 18166 539 1 . 1 1 114 114 ASP N N 114 118.196 118.196 114.809 3.387 18166 540 1 . 1 1 114 114 ASP HA H 114 4.638 4.638 4.764 -0.126 18166 541 1 . 1 1 114 114 ASP CA C 114 53.188 53.188 53.633 -0.445 18166 542 1 . 1 1 114 114 ASP CB C 114 41.267 41.267 43.070 -1.803 18166 543 1 . 1 1 114 114 ASP H H 114 8.190 8.190 7.679 0.511 18166 544 1 . 1 1 115 115 SER N N 115 121.421 121.421 120.069 1.352 18166 545 1 . 1 1 115 115 SER HA H 115 4.272 4.272 4.205 0.067 18166 546 1 . 1 1 115 115 SER CA C 115 60.133 60.133 60.997 -0.864 18166 547 1 . 1 1 115 115 SER CB C 115 62.791 62.791 63.111 -0.320 18166 548 1 . 1 1 115 115 SER H H 115 8.775 8.775 8.722 0.053 18166 549 1 . 1 1 116 116 SER N N 116 116.860 116.860 117.607 -0.747 18166 550 1 . 1 1 116 116 SER HA H 116 4.481 4.481 4.282 0.199 18166 551 1 . 1 1 116 116 SER CA C 116 57.961 57.961 60.335 -2.374 18166 552 1 . 1 1 116 116 SER CB C 116 63.960 63.960 62.715 1.245 18166 553 1 . 1 1 116 116 SER H H 116 8.404 8.404 8.177 0.227 18166 554 1 . 1 1 117 117 CYS N N 117 121.814 121.814 120.348 1.466 18166 555 1 . 1 1 117 117 CYS HA H 117 4.311 4.311 4.470 -0.159 18166 556 1 . 1 1 117 117 CYS CA C 117 58.972 58.972 58.292 0.680 18166 557 1 . 1 1 117 117 CYS CB C 117 25.866 25.866 26.566 -0.700 18166 558 1 . 1 1 117 117 CYS H H 117 7.401 7.401 7.793 -0.392 18166 559 1 . 1 1 118 118 LYS N N 118 105.939 105.939 121.057 -15.118 18166 560 1 . 1 1 118 118 LYS HA H 118 3.972 3.972 3.899 0.073 18166 561 1 . 1 1 118 118 LYS CA C 118 58.867 58.867 59.135 -0.268 18166 562 1 . 1 1 118 118 LYS CB C 118 32.356 32.356 31.552 0.804 18166 563 1 . 1 1 118 118 LYS H H 118 8.647 8.647 8.050 0.597 18166 564 1 . 1 1 119 119 GLU N N 119 117.724 117.724 118.159 -0.435 18166 565 1 . 1 1 119 119 GLU HA H 119 4.131 4.131 4.087 0.044 18166 566 1 . 1 1 119 119 GLU CA C 119 59.000 59.000 58.966 0.034 18166 567 1 . 1 1 119 119 GLU CB C 119 29.472 29.472 28.890 0.582 18166 568 1 . 1 1 119 119 GLU H H 119 8.998 8.998 8.349 0.649 18166 569 1 . 1 1 120 120 ALA N N 120 120.855 120.855 121.256 -0.401 18166 570 1 . 1 1 120 120 ALA HA H 120 4.368 4.368 4.233 0.135 18166 571 1 . 1 1 120 120 ALA CA C 120 53.306 53.306 54.302 -0.996 18166 572 1 . 1 1 120 120 ALA CB C 120 18.113 18.113 18.595 -0.482 18166 573 1 . 1 1 120 120 ALA H H 120 7.494 7.494 8.241 -0.747 18166 574 1 . 1 1 121 121 ALA N N 121 123.265 123.265 121.755 1.510 18166 575 1 . 1 1 121 121 ALA HA H 121 3.995 3.995 4.097 -0.102 18166 576 1 . 1 1 121 121 ALA CA C 121 54.792 54.792 54.985 -0.193 18166 577 1 . 1 1 121 121 ALA CB C 121 17.804 17.804 18.470 -0.666 18166 578 1 . 1 1 121 121 ALA H H 121 7.914 7.914 7.558 0.356 18166 579 1 . 1 1 122 122 ASP N N 122 118.732 118.732 118.446 0.286 18166 580 1 . 1 1 122 122 ASP HA H 122 4.271 4.271 4.339 -0.068 18166 581 1 . 1 1 122 122 ASP CA C 122 56.242 56.242 57.457 -1.215 18166 582 1 . 1 1 122 122 ASP CB C 122 39.115 39.115 40.777 -1.662 18166 583 1 . 1 1 122 122 ASP H H 122 8.964 8.964 8.030 0.934 18166 584 1 . 1 1 123 123 GLY N N 123 108.568 108.568 106.977 1.591 18166 585 1 . 1 1 123 123 GLY CA C 123 46.614 46.614 46.571 0.043 18166 586 1 . 1 1 123 123 GLY H H 123 7.572 7.572 7.681 -0.109 18166 587 1 . 1 1 124 124 TYR N N 124 122.944 122.944 123.193 -0.249 18166 588 1 . 1 1 124 124 TYR HA H 124 3.614 3.614 3.758 -0.144 18166 589 1 . 1 1 124 124 TYR CA C 124 63.184 63.184 60.289 2.895 18166 590 1 . 1 1 124 124 TYR CB C 124 37.897 37.897 37.946 -0.049 18166 591 1 . 1 1 124 124 TYR H H 124 8.162 8.162 7.706 0.456 18166 592 1 . 1 1 125 125 GLN N N 125 115.988 115.988 117.271 -1.283 18166 593 1 . 1 1 125 125 GLN HA H 125 3.875 3.875 3.593 0.282 18166 594 1 . 1 1 125 125 GLN CA C 125 58.620 58.620 58.784 -0.164 18166 595 1 . 1 1 125 125 GLN CB C 125 28.137 28.137 27.820 0.317 18166 596 1 . 1 1 125 125 GLN H H 125 7.510 7.510 7.826 -0.316 18166 597 1 . 1 1 126 126 ARG N N 126 118.626 118.626 119.052 -0.426 18166 598 1 . 1 1 126 126 ARG HA H 126 3.933 3.933 4.029 -0.096 18166 599 1 . 1 1 126 126 ARG CA C 126 59.817 59.817 58.745 1.072 18166 600 1 . 1 1 126 126 ARG CB C 126 31.092 31.092 29.951 1.141 18166 601 1 . 1 1 126 126 ARG H H 126 8.139 8.139 7.593 0.546 18166 602 1 . 1 1 127 127 CYS N N 127 116.985 116.985 117.593 -0.608 18166 603 1 . 1 1 127 127 CYS HA H 127 3.889 3.889 4.082 -0.193 18166 604 1 . 1 1 127 127 CYS CA C 127 63.963 63.963 62.241 1.722 18166 605 1 . 1 1 127 127 CYS CB C 127 27.766 27.766 27.821 -0.055 18166 606 1 . 1 1 127 127 CYS H H 127 8.097 8.097 7.553 0.544 18166 607 1 . 1 1 128 128 MET N N 128 120.493 120.493 118.905 1.588 18166 608 1 . 1 1 128 128 MET HA H 128 3.989 3.989 3.852 0.137 18166 609 1 . 1 1 128 128 MET CA C 128 58.420 58.420 58.561 -0.141 18166 610 1 . 1 1 128 128 MET CB C 128 31.539 31.539 31.850 -0.311 18166 611 1 . 1 1 128 128 MET H H 128 8.163 8.163 7.925 0.238 18166 612 1 . 1 1 129 129 MET N N 129 115.583 115.583 116.608 -1.025 18166 613 1 . 1 1 129 129 MET HA H 129 4.211 4.211 4.280 -0.069 18166 614 1 . 1 1 129 129 MET CA C 129 56.677 56.677 57.595 -0.918 18166 615 1 . 1 1 129 129 MET CB C 129 31.951 31.951 32.269 -0.318 18166 616 1 . 1 1 129 129 MET H H 129 7.723 7.723 7.459 0.264 18166 617 1 . 1 1 130 130 ALA N N 130 121.061 121.061 121.107 -0.046 18166 618 1 . 1 1 130 130 ALA HA H 130 3.908 3.908 3.923 -0.015 18166 619 1 . 1 1 130 130 ALA CA C 130 53.080 53.080 54.103 -1.023 18166 620 1 . 1 1 130 130 ALA CB C 130 16.504 16.504 17.972 -1.468 18166 621 1 . 1 1 130 130 ALA H H 130 7.458 7.458 7.449 0.009 18166 622 1 . 1 1 131 131 GLN N N 131 114.560 114.560 115.677 -1.117 18166 623 1 . 1 1 131 131 GLN HA H 131 4.006 4.006 4.187 -0.181 18166 624 1 . 1 1 131 131 GLN CA C 131 56.803 56.803 57.565 -0.762 18166 625 1 . 1 1 131 131 GLN CB C 131 29.105 29.105 29.106 -0.001 18166 626 1 . 1 1 131 131 GLN H H 131 7.214 7.214 7.285 -0.071 18166 627 1 . 1 1 132 132 TYR N N 132 117.856 117.856 118.170 -0.314 18166 628 1 . 1 1 132 132 TYR HA H 132 4.642 4.642 4.688 -0.046 18166 629 1 . 1 1 132 132 TYR CA C 132 57.558 57.558 55.486 2.072 18166 630 1 . 1 1 132 132 TYR CB C 132 38.312 38.312 36.835 1.477 18166 631 1 . 1 1 132 132 TYR H H 132 7.545 7.545 7.316 0.229 18166 stop_ save_