data_19673 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19673 _Entry.PDB_ID 2MIC 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 19673 _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 ARG N N 2 122.743 122.743 118.790 3.953 19673 2 1 1 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.241 0.271 19673 3 1 1 . 1 1 2 2 ARG C C 2 176.305 176.305 175.914 0.391 19673 4 1 1 . 1 1 2 2 ARG CA C 2 56.127 56.127 56.235 -0.108 19673 5 1 1 . 1 1 2 2 ARG CB C 2 30.716 30.716 30.915 -0.199 19673 6 1 1 . 1 1 2 2 ARG H H 2 8.481 8.481 8.121 0.360 19673 7 1 1 . 1 1 3 3 GLY N N 3 109.588 109.588 108.606 0.982 19673 8 1 1 . 1 1 3 3 GLY C C 3 174.092 174.092 174.874 -0.782 19673 9 1 1 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.381 -0.212 19673 10 1 1 . 1 1 3 3 GLY H H 3 8.576 8.576 8.615 -0.039 19673 11 1 1 . 1 1 4 4 THR N N 4 113.251 113.251 111.253 1.998 19673 12 1 1 . 1 1 4 4 THR HA H 4 4.544 4.544 4.005 0.539 19673 13 1 1 . 1 1 4 4 THR C C 4 174.864 174.864 173.723 1.141 19673 14 1 1 . 1 1 4 4 THR CA C 4 61.955 61.955 62.284 -0.329 19673 15 1 1 . 1 1 4 4 THR H H 4 8.155 8.155 8.415 -0.260 19673 16 1 1 . 1 1 5 5 THR N N 5 114.461 114.461 110.209 4.252 19673 17 1 1 . 1 1 5 5 THR HA H 5 4.454 4.454 3.964 0.490 19673 18 1 1 . 1 1 5 5 THR C C 5 174.181 174.181 174.827 -0.646 19673 19 1 1 . 1 1 5 5 THR CA C 5 62.062 62.062 63.061 -0.999 19673 20 1 1 . 1 1 5 5 THR CB C 5 69.306 69.306 67.353 1.953 19673 21 1 1 . 1 1 5 5 THR H H 5 8.243 8.243 7.396 0.847 19673 22 1 1 . 1 1 6 6 ASP N N 6 121.828 121.828 121.838 -0.010 19673 23 1 1 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.549 0.129 19673 24 1 1 . 1 1 6 6 ASP C C 6 175.797 175.797 176.066 -0.269 19673 25 1 1 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.957 -0.144 19673 26 1 1 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.987 -0.975 19673 27 1 1 . 1 1 6 6 ASP H H 6 8.325 8.325 8.004 0.321 19673 28 1 1 . 1 1 7 7 ASN N N 7 117.808 117.808 119.085 -1.277 19673 29 1 1 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.450 0.378 19673 30 1 1 . 1 1 7 7 ASN C C 7 174.864 174.864 174.182 0.682 19673 31 1 1 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.281 -1.154 19673 32 1 1 . 1 1 7 7 ASN CB C 7 38.696 38.696 36.721 1.975 19673 33 1 1 . 1 1 7 7 ASN H H 7 8.267 8.267 8.580 -0.313 19673 34 1 1 . 1 1 8 8 LEU N N 8 121.126 121.126 115.954 5.172 19673 35 1 1 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.864 0.466 19673 36 1 1 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.777 0.042 19673 37 1 1 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.462 0.942 19673 38 1 1 . 1 1 8 8 LEU H H 8 8.452 8.452 8.381 0.071 19673 39 1 1 . 1 1 9 9 ILE N N 9 119.437 119.437 119.480 -0.043 19673 40 1 1 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.150 0.036 19673 41 1 1 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.075 0.766 19673 42 1 1 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.313 -2.546 19673 43 1 1 . 1 1 9 9 ILE H H 9 8.250 8.250 7.694 0.556 19673 44 1 1 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.154 0.226 19673 45 1 1 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.904 -3.958 19673 46 1 1 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.039 1.552 19673 47 1 1 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.148 -0.312 19673 48 1 1 . 1 1 11 11 VAL CA C 11 65.990 65.990 62.568 3.422 19673 49 1 1 . 1 1 11 11 VAL CB C 11 31.136 31.136 29.583 1.553 19673 50 1 1 . 1 1 12 12 TYR N N 12 117.971 117.971 120.758 -2.787 19673 51 1 1 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.259 0.171 19673 52 1 1 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.648 -1.875 19673 53 1 1 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.890 -1.855 19673 54 1 1 . 1 1 12 12 TYR H H 12 8.341 8.341 8.536 -0.195 19673 55 1 1 . 1 1 13 13 CYS N N 13 115.494 115.494 118.605 -3.111 19673 56 1 1 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.157 0.204 19673 57 1 1 . 1 1 13 13 CYS C C 13 175.298 175.298 177.154 -1.856 19673 58 1 1 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.961 -3.876 19673 59 1 1 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.703 14.826 19673 60 1 1 . 1 1 13 13 CYS H H 13 8.681 8.681 8.136 0.545 19673 61 1 1 . 1 1 14 14 SER N N 14 116.691 116.691 113.443 3.248 19673 62 1 1 . 1 1 14 14 SER HA H 14 4.200 4.200 4.221 -0.021 19673 63 1 1 . 1 1 14 14 SER C C 14 174.951 174.951 177.014 -2.063 19673 64 1 1 . 1 1 14 14 SER CA C 14 62.671 62.671 61.229 1.442 19673 65 1 1 . 1 1 14 14 SER CB C 14 62.565 62.565 60.976 1.589 19673 66 1 1 . 1 1 14 14 SER H H 14 7.923 7.923 8.856 -0.933 19673 67 1 1 . 1 1 15 15 ILE N N 15 120.993 120.993 121.684 -0.691 19673 68 1 1 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.973 -0.208 19673 69 1 1 . 1 1 15 15 ILE C C 15 176.935 176.935 177.786 -0.851 19673 70 1 1 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.168 -0.052 19673 71 1 1 . 1 1 15 15 ILE CB C 15 37.362 37.362 38.108 -0.746 19673 72 1 1 . 1 1 15 15 ILE H H 15 7.930 7.930 7.480 0.450 19673 73 1 1 . 1 1 16 16 LEU N N 16 118.319 118.319 123.137 -4.818 19673 74 1 1 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.870 0.192 19673 75 1 1 . 1 1 16 16 LEU C C 16 177.684 177.684 178.144 -0.460 19673 76 1 1 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.551 -0.599 19673 77 1 1 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.032 -0.480 19673 78 1 1 . 1 1 16 16 LEU H H 16 8.037 8.037 8.065 -0.028 19673 79 1 1 . 1 1 17 17 ALA N N 17 118.970 118.970 122.586 -3.616 19673 80 1 1 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.892 0.123 19673 81 1 1 . 1 1 17 17 ALA C C 17 177.814 177.814 178.703 -0.889 19673 82 1 1 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.719 -0.420 19673 83 1 1 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.741 -1.115 19673 84 1 1 . 1 1 17 17 ALA H H 17 8.260 8.260 8.209 0.051 19673 85 1 1 . 1 1 18 18 ALA N N 18 118.854 118.854 121.201 -2.347 19673 86 1 1 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.826 0.168 19673 87 1 1 . 1 1 18 18 ALA C C 18 178.578 178.578 178.909 -0.331 19673 88 1 1 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.061 0.238 19673 89 1 1 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.914 -0.252 19673 90 1 1 . 1 1 18 18 ALA H H 18 8.027 8.027 7.746 0.281 19673 91 1 1 . 1 1 19 19 VAL N N 19 116.253 116.253 118.469 -2.216 19673 92 1 1 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.798 -0.152 19673 93 1 1 . 1 1 19 19 VAL C C 19 176.935 176.935 178.075 -1.140 19673 94 1 1 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.372 1.132 19673 95 1 1 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.976 0.043 19673 96 1 1 . 1 1 19 19 VAL H H 19 8.259 8.259 7.749 0.510 19673 97 1 1 . 1 1 20 20 VAL N N 20 118.427 118.427 118.579 -0.152 19673 98 1 1 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.509 0.130 19673 99 1 1 . 1 1 20 20 VAL C C 20 177.044 177.044 178.340 -1.296 19673 100 1 1 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.267 1.235 19673 101 1 1 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.515 -0.614 19673 102 1 1 . 1 1 20 20 VAL H H 20 8.206 8.206 7.645 0.561 19673 103 1 1 . 1 1 21 21 VAL N N 21 118.319 118.319 120.291 -1.972 19673 104 1 1 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.623 -0.047 19673 105 1 1 . 1 1 21 21 VAL C C 21 177.239 177.239 177.844 -0.605 19673 106 1 1 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.929 0.178 19673 107 1 1 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.020 -0.322 19673 108 1 1 . 1 1 21 21 VAL H H 21 8.511 8.511 8.171 0.340 19673 109 1 1 . 1 1 22 22 GLY N N 22 106.678 106.678 108.578 -1.900 19673 110 1 1 . 1 1 22 22 GLY C C 22 174.192 174.192 177.292 -3.100 19673 111 1 1 . 1 1 22 22 GLY CA C 22 47.329 47.329 48.849 -1.520 19673 112 1 1 . 1 1 22 22 GLY H H 22 8.665 8.665 8.485 0.180 19673 113 1 1 . 1 1 23 23 LEU N N 23 121.389 121.389 119.400 1.989 19673 114 1 1 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.999 0.288 19673 115 1 1 . 1 1 23 23 LEU C C 23 178.486 178.486 178.050 0.436 19673 116 1 1 . 1 1 23 23 LEU CA C 23 58.118 58.118 57.046 1.072 19673 117 1 1 . 1 1 23 23 LEU H H 23 8.604 8.604 8.018 0.586 19673 118 1 1 . 1 1 24 24 VAL N N 24 118.366 118.366 122.045 -3.679 19673 119 1 1 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.827 -0.175 19673 120 1 1 . 1 1 24 24 VAL C C 24 177.109 177.109 177.958 -0.849 19673 121 1 1 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.080 1.911 19673 122 1 1 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.707 -0.915 19673 123 1 1 . 1 1 24 24 VAL H H 24 8.514 8.514 7.925 0.589 19673 124 1 1 . 1 1 25 25 ALA N N 25 121.150 121.150 120.863 0.287 19673 125 1 1 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.706 0.377 19673 126 1 1 . 1 1 25 25 ALA C C 25 178.345 178.345 179.528 -1.183 19673 127 1 1 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.332 -1.078 19673 128 1 1 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.321 -0.593 19673 129 1 1 . 1 1 25 25 ALA H H 25 8.864 8.864 8.093 0.771 19673 130 1 1 . 1 1 26 26 TYR N N 26 118.180 118.180 120.425 -2.245 19673 131 1 1 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.437 -0.147 19673 132 1 1 . 1 1 26 26 TYR C C 26 176.867 176.867 177.840 -0.973 19673 133 1 1 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.248 0.730 19673 134 1 1 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.639 0.887 19673 135 1 1 . 1 1 26 26 TYR H H 26 8.686 8.686 8.088 0.598 19673 136 1 1 . 1 1 27 27 ILE N N 27 118.426 118.426 120.599 -2.173 19673 137 1 1 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.954 -0.359 19673 138 1 1 . 1 1 27 27 ILE C C 27 177.922 177.922 178.002 -0.080 19673 139 1 1 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.697 0.043 19673 140 1 1 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.260 -0.885 19673 141 1 1 . 1 1 27 27 ILE H H 27 8.537 8.537 8.331 0.206 19673 142 1 1 . 1 1 28 28 ALA N N 28 121.944 121.944 120.910 1.034 19673 143 1 1 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.751 0.262 19673 144 1 1 . 1 1 28 28 ALA C C 28 178.779 178.779 178.885 -0.106 19673 145 1 1 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.045 0.254 19673 146 1 1 . 1 1 28 28 ALA CB C 28 17.974 17.974 19.001 -1.027 19673 147 1 1 . 1 1 28 28 ALA H H 28 8.920 8.920 7.991 0.929 19673 148 1 1 . 1 1 29 29 PHE N N 29 117.662 117.662 121.026 -3.364 19673 149 1 1 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.129 0.218 19673 150 1 1 . 1 1 29 29 PHE C C 29 177.543 177.543 177.717 -0.174 19673 151 1 1 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.199 0.007 19673 152 1 1 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.299 0.767 19673 153 1 1 . 1 1 29 29 PHE H H 29 8.868 8.868 8.560 0.308 19673 154 1 1 . 1 1 30 30 LYS N N 30 118.519 118.519 119.482 -0.963 19673 155 1 1 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.262 -0.268 19673 156 1 1 . 1 1 30 30 LYS C C 30 179.148 179.148 177.548 1.600 19673 157 1 1 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.153 -0.322 19673 158 1 1 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.893 -1.774 19673 159 1 1 . 1 1 30 30 LYS H H 30 8.437 8.437 8.486 -0.049 19673 160 1 1 . 1 1 31 31 ARG N N 31 118.783 118.783 119.394 -0.611 19673 161 1 1 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.748 0.517 19673 162 1 1 . 1 1 31 31 ARG C C 31 178.041 178.041 178.216 -0.175 19673 163 1 1 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.313 -0.690 19673 164 1 1 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.123 -0.296 19673 165 1 1 . 1 1 31 31 ARG H H 31 8.311 8.311 7.389 0.922 19673 166 1 1 . 1 1 32 32 TRP N N 32 121.389 121.389 120.262 1.127 19673 167 1 1 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.295 0.220 19673 168 1 1 . 1 1 32 32 TRP C C 32 176.935 176.935 179.382 -2.447 19673 169 1 1 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.008 -0.581 19673 170 1 1 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.033 -0.130 19673 171 1 1 . 1 1 32 32 TRP H H 32 8.579 8.579 7.930 0.649 19673 172 1 1 . 1 1 33 33 ASN N N 33 117.319 117.319 115.836 1.483 19673 173 1 1 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.794 -0.276 19673 174 1 1 . 1 1 33 33 ASN C C 33 175.770 175.770 176.128 -0.358 19673 175 1 1 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.305 -0.186 19673 176 1 1 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.426 0.561 19673 177 1 1 . 1 1 33 33 ASN H H 33 8.313 8.313 8.112 0.201 19673 178 1 1 . 1 1 34 34 SER N N 34 114.896 114.896 113.188 1.708 19673 179 1 1 . 1 1 34 34 SER HA H 34 4.481 4.481 4.101 0.380 19673 180 1 1 . 1 1 34 34 SER C C 34 174.852 174.852 174.922 -0.070 19673 181 1 1 . 1 1 34 34 SER CA C 34 59.319 59.319 60.429 -1.110 19673 182 1 1 . 1 1 34 34 SER CB C 34 63.433 63.433 63.182 0.251 19673 183 1 1 . 1 1 34 34 SER H H 34 7.952 7.952 7.387 0.565 19673 184 1 1 . 1 1 35 35 SER N N 35 117.172 117.172 109.915 7.257 19673 185 1 1 . 1 1 35 35 SER HA H 35 4.518 4.518 4.361 0.157 19673 186 1 1 . 1 1 35 35 SER C C 35 174.485 174.485 173.108 1.377 19673 187 1 1 . 1 1 35 35 SER CA C 35 58.833 58.833 58.294 0.539 19673 188 1 1 . 1 1 35 35 SER CB C 35 63.445 63.445 63.815 -0.370 19673 189 1 1 . 1 1 35 35 SER H H 35 8.094 8.094 7.616 0.478 19673 190 1 1 . 1 1 36 36 LYS N N 36 122.146 122.146 123.706 -1.560 19673 191 1 1 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.092 0.282 19673 192 1 1 . 1 1 36 36 LYS C C 36 176.339 176.339 176.267 0.072 19673 193 1 1 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.251 -1.054 19673 194 1 1 . 1 1 36 36 LYS CB C 36 32.357 32.357 33.470 -1.113 19673 195 1 1 . 1 1 36 36 LYS H H 36 8.011 8.011 8.092 -0.081 19673 196 1 1 . 1 1 37 37 GLN N N 37 120.055 120.055 121.689 -1.634 19673 197 1 1 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.377 0.041 19673 198 1 1 . 1 1 37 37 GLN C C 37 175.424 175.424 177.220 -1.796 19673 199 1 1 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.580 0.066 19673 200 1 1 . 1 1 37 37 GLN CB C 37 29.129 29.129 29.685 -0.556 19673 201 1 1 . 1 1 37 37 GLN H H 37 8.177 8.177 8.353 -0.176 19673 202 1 1 . 1 1 38 38 ASN N N 38 119.734 119.734 118.535 1.199 19673 203 1 1 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.552 0.256 19673 204 1 1 . 1 1 38 38 ASN C C 38 174.550 174.550 176.133 -1.583 19673 205 1 1 . 1 1 38 38 ASN CA C 38 53.040 53.040 54.984 -1.944 19673 206 1 1 . 1 1 38 38 ASN H H 38 8.379 8.379 8.771 -0.392 19673 207 1 1 . 1 1 39 39 LYS N N 39 121.900 121.900 121.134 0.766 19673 208 1 1 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.012 0.438 19673 209 1 1 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.624 -0.493 19673 210 1 1 . 1 1 39 39 LYS CB C 39 32.775 32.775 31.824 0.951 19673 211 1 1 . 1 1 39 39 LYS H H 39 8.220 8.220 8.201 0.019 19673 212 1 1 . 1 1 40 40 GLN N N 40 126.738 126.738 119.576 7.162 19673 213 1 1 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.037 0.250 19673 214 1 1 . 1 1 40 40 GLN CA C 40 57.168 57.168 56.154 1.014 19673 215 1 1 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.028 2.232 19673 216 1 1 . 1 1 40 40 GLN H H 40 8.004 8.004 8.308 -0.304 19673 217 1 2 . 1 1 2 2 ARG N N 2 122.743 122.743 120.209 2.534 19673 218 1 2 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.767 -0.255 19673 219 1 2 . 1 1 2 2 ARG C C 2 176.305 176.305 176.491 -0.186 19673 220 1 2 . 1 1 2 2 ARG CA C 2 56.127 56.127 54.983 1.144 19673 221 1 2 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.722 -1.006 19673 222 1 2 . 1 1 2 2 ARG H H 2 8.481 8.481 7.938 0.543 19673 223 1 2 . 1 1 3 3 GLY N N 3 109.588 109.588 109.008 0.580 19673 224 1 2 . 1 1 3 3 GLY C C 3 174.092 174.092 175.897 -1.805 19673 225 1 2 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.765 -0.596 19673 226 1 2 . 1 1 3 3 GLY H H 3 8.576 8.576 8.499 0.077 19673 227 1 2 . 1 1 4 4 THR N N 4 113.251 113.251 112.676 0.575 19673 228 1 2 . 1 1 4 4 THR HA H 4 4.544 4.544 4.178 0.366 19673 229 1 2 . 1 1 4 4 THR C C 4 174.864 174.864 174.571 0.293 19673 230 1 2 . 1 1 4 4 THR CA C 4 61.955 61.955 62.617 -0.662 19673 231 1 2 . 1 1 4 4 THR H H 4 8.155 8.155 8.246 -0.091 19673 232 1 2 . 1 1 5 5 THR N N 5 114.461 114.461 111.486 2.975 19673 233 1 2 . 1 1 5 5 THR HA H 5 4.454 4.454 4.070 0.384 19673 234 1 2 . 1 1 5 5 THR C C 5 174.181 174.181 175.152 -0.971 19673 235 1 2 . 1 1 5 5 THR CA C 5 62.062 62.062 63.616 -1.554 19673 236 1 2 . 1 1 5 5 THR CB C 5 69.306 69.306 68.911 0.395 19673 237 1 2 . 1 1 5 5 THR H H 5 8.243 8.243 8.104 0.139 19673 238 1 2 . 1 1 6 6 ASP N N 6 121.828 121.828 121.433 0.395 19673 239 1 2 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.616 0.062 19673 240 1 2 . 1 1 6 6 ASP C C 6 175.797 175.797 175.050 0.747 19673 241 1 2 . 1 1 6 6 ASP CA C 6 54.813 54.813 53.888 0.925 19673 242 1 2 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.518 -0.506 19673 243 1 2 . 1 1 6 6 ASP H H 6 8.325 8.325 7.682 0.643 19673 244 1 2 . 1 1 7 7 ASN N N 7 117.808 117.808 121.504 -3.696 19673 245 1 2 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.722 0.106 19673 246 1 2 . 1 1 7 7 ASN C C 7 174.864 174.864 175.715 -0.851 19673 247 1 2 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.348 -1.221 19673 248 1 2 . 1 1 7 7 ASN CB C 7 38.696 38.696 39.651 -0.955 19673 249 1 2 . 1 1 7 7 ASN H H 7 8.267 8.267 8.649 -0.382 19673 250 1 2 . 1 1 8 8 LEU N N 8 121.126 121.126 120.402 0.724 19673 251 1 2 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.428 -0.098 19673 252 1 2 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.382 0.437 19673 253 1 2 . 1 1 8 8 LEU CB C 8 42.404 42.404 42.180 0.224 19673 254 1 2 . 1 1 8 8 LEU H H 8 8.452 8.452 8.282 0.170 19673 255 1 2 . 1 1 9 9 ILE N N 9 119.437 119.437 118.706 0.731 19673 256 1 2 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.389 -0.203 19673 257 1 2 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.338 0.503 19673 258 1 2 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.895 -3.128 19673 259 1 2 . 1 1 9 9 ILE H H 9 8.250 8.250 7.700 0.550 19673 260 1 2 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.107 0.273 19673 261 1 2 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.870 -3.924 19673 262 1 2 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.462 2.129 19673 263 1 2 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.999 -0.163 19673 264 1 2 . 1 1 11 11 VAL CA C 11 65.990 65.990 65.336 0.654 19673 265 1 2 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.304 -0.168 19673 266 1 2 . 1 1 12 12 TYR N N 12 117.971 117.971 118.587 -0.616 19673 267 1 2 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.157 0.273 19673 268 1 2 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.897 -2.123 19673 269 1 2 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.318 -1.283 19673 270 1 2 . 1 1 12 12 TYR H H 12 8.341 8.341 8.347 -0.006 19673 271 1 2 . 1 1 13 13 CYS N N 13 115.494 115.494 117.937 -2.443 19673 272 1 2 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.140 0.221 19673 273 1 2 . 1 1 13 13 CYS C C 13 175.298 175.298 176.906 -1.608 19673 274 1 2 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.695 -3.610 19673 275 1 2 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.779 14.750 19673 276 1 2 . 1 1 13 13 CYS H H 13 8.681 8.681 7.639 1.042 19673 277 1 2 . 1 1 14 14 SER N N 14 116.691 116.691 114.840 1.851 19673 278 1 2 . 1 1 14 14 SER HA H 14 4.200 4.200 4.207 -0.007 19673 279 1 2 . 1 1 14 14 SER C C 14 174.951 174.951 177.062 -2.111 19673 280 1 2 . 1 1 14 14 SER CA C 14 62.671 62.671 61.039 1.632 19673 281 1 2 . 1 1 14 14 SER CB C 14 62.565 62.565 61.047 1.518 19673 282 1 2 . 1 1 14 14 SER H H 14 7.923 7.923 8.218 -0.295 19673 283 1 2 . 1 1 15 15 ILE N N 15 120.993 120.993 121.494 -0.501 19673 284 1 2 . 1 1 15 15 ILE HA H 15 3.765 3.765 4.002 -0.237 19673 285 1 2 . 1 1 15 15 ILE C C 15 176.935 176.935 178.248 -1.313 19673 286 1 2 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.467 -0.351 19673 287 1 2 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.850 -0.488 19673 288 1 2 . 1 1 15 15 ILE H H 15 7.930 7.930 7.657 0.273 19673 289 1 2 . 1 1 16 16 LEU N N 16 118.319 118.319 122.937 -4.618 19673 290 1 2 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.887 0.175 19673 291 1 2 . 1 1 16 16 LEU C C 16 177.684 177.684 178.402 -0.718 19673 292 1 2 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.540 -0.588 19673 293 1 2 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.039 -0.487 19673 294 1 2 . 1 1 16 16 LEU H H 16 8.037 8.037 8.424 -0.387 19673 295 1 2 . 1 1 17 17 ALA N N 17 118.970 118.970 122.607 -3.637 19673 296 1 2 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.863 0.152 19673 297 1 2 . 1 1 17 17 ALA C C 17 177.814 177.814 178.752 -0.938 19673 298 1 2 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.735 -0.436 19673 299 1 2 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.703 -1.077 19673 300 1 2 . 1 1 17 17 ALA H H 17 8.260 8.260 8.211 0.049 19673 301 1 2 . 1 1 18 18 ALA N N 18 118.854 118.854 121.259 -2.405 19673 302 1 2 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.803 0.191 19673 303 1 2 . 1 1 18 18 ALA C C 18 178.578 178.578 178.878 -0.300 19673 304 1 2 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.188 0.111 19673 305 1 2 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.951 -0.289 19673 306 1 2 . 1 1 18 18 ALA H H 18 8.027 8.027 7.739 0.288 19673 307 1 2 . 1 1 19 19 VAL N N 19 116.253 116.253 118.192 -1.939 19673 308 1 2 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.744 -0.098 19673 309 1 2 . 1 1 19 19 VAL C C 19 176.935 176.935 178.079 -1.144 19673 310 1 2 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.426 1.078 19673 311 1 2 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.940 0.079 19673 312 1 2 . 1 1 19 19 VAL H H 19 8.259 8.259 7.758 0.501 19673 313 1 2 . 1 1 20 20 VAL N N 20 118.427 118.427 118.702 -0.275 19673 314 1 2 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.470 0.169 19673 315 1 2 . 1 1 20 20 VAL C C 20 177.044 177.044 178.155 -1.111 19673 316 1 2 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.726 0.776 19673 317 1 2 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.635 -0.734 19673 318 1 2 . 1 1 20 20 VAL H H 20 8.206 8.206 7.617 0.589 19673 319 1 2 . 1 1 21 21 VAL N N 21 118.319 118.319 119.639 -1.320 19673 320 1 2 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.526 0.050 19673 321 1 2 . 1 1 21 21 VAL C C 21 177.239 177.239 177.918 -0.679 19673 322 1 2 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.684 0.423 19673 323 1 2 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.417 -0.719 19673 324 1 2 . 1 1 21 21 VAL H H 21 8.511 8.511 7.779 0.732 19673 325 1 2 . 1 1 22 22 GLY N N 22 106.678 106.678 108.665 -1.987 19673 326 1 2 . 1 1 22 22 GLY C C 22 174.192 174.192 177.108 -2.916 19673 327 1 2 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.991 -2.662 19673 328 1 2 . 1 1 22 22 GLY H H 22 8.665 8.665 8.642 0.023 19673 329 1 2 . 1 1 23 23 LEU N N 23 121.389 121.389 119.186 2.203 19673 330 1 2 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.983 0.304 19673 331 1 2 . 1 1 23 23 LEU C C 23 178.486 178.486 178.131 0.355 19673 332 1 2 . 1 1 23 23 LEU CA C 23 58.118 58.118 57.006 1.112 19673 333 1 2 . 1 1 23 23 LEU H H 23 8.604 8.604 8.010 0.594 19673 334 1 2 . 1 1 24 24 VAL N N 24 118.366 118.366 121.809 -3.443 19673 335 1 2 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.802 -0.150 19673 336 1 2 . 1 1 24 24 VAL C C 24 177.109 177.109 177.989 -0.880 19673 337 1 2 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.538 1.453 19673 338 1 2 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.962 -1.170 19673 339 1 2 . 1 1 24 24 VAL H H 24 8.514 8.514 7.778 0.736 19673 340 1 2 . 1 1 25 25 ALA N N 25 121.150 121.150 120.940 0.210 19673 341 1 2 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.748 0.335 19673 342 1 2 . 1 1 25 25 ALA C C 25 178.345 178.345 179.428 -1.083 19673 343 1 2 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.342 -1.088 19673 344 1 2 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.621 -0.893 19673 345 1 2 . 1 1 25 25 ALA H H 25 8.864 8.864 7.959 0.905 19673 346 1 2 . 1 1 26 26 TYR N N 26 118.180 118.180 119.783 -1.603 19673 347 1 2 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.458 -0.168 19673 348 1 2 . 1 1 26 26 TYR C C 26 176.867 176.867 177.922 -1.055 19673 349 1 2 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.989 0.990 19673 350 1 2 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.749 0.777 19673 351 1 2 . 1 1 26 26 TYR H H 26 8.686 8.686 8.061 0.625 19673 352 1 2 . 1 1 27 27 ILE N N 27 118.426 118.426 121.015 -2.589 19673 353 1 2 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.978 -0.383 19673 354 1 2 . 1 1 27 27 ILE C C 27 177.922 177.922 177.921 0.001 19673 355 1 2 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.004 0.735 19673 356 1 2 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.319 -0.944 19673 357 1 2 . 1 1 27 27 ILE H H 27 8.537 8.537 8.017 0.520 19673 358 1 2 . 1 1 28 28 ALA N N 28 121.944 121.944 121.533 0.411 19673 359 1 2 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.482 0.531 19673 360 1 2 . 1 1 28 28 ALA C C 28 178.779 178.779 178.999 -0.220 19673 361 1 2 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.644 -0.345 19673 362 1 2 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.736 -0.762 19673 363 1 2 . 1 1 28 28 ALA H H 28 8.920 8.920 8.015 0.905 19673 364 1 2 . 1 1 29 29 PHE N N 29 117.662 117.662 120.300 -2.638 19673 365 1 2 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.106 0.241 19673 366 1 2 . 1 1 29 29 PHE C C 29 177.543 177.543 177.514 0.029 19673 367 1 2 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.238 -0.032 19673 368 1 2 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.113 0.953 19673 369 1 2 . 1 1 29 29 PHE H H 29 8.868 8.868 8.304 0.564 19673 370 1 2 . 1 1 30 30 LYS N N 30 118.519 118.519 119.177 -0.658 19673 371 1 2 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.266 -0.272 19673 372 1 2 . 1 1 30 30 LYS C C 30 179.148 179.148 177.929 1.219 19673 373 1 2 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.605 -0.774 19673 374 1 2 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.668 -1.549 19673 375 1 2 . 1 1 30 30 LYS H H 30 8.437 8.437 7.898 0.539 19673 376 1 2 . 1 1 31 31 ARG N N 31 118.783 118.783 118.520 0.263 19673 377 1 2 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.766 0.499 19673 378 1 2 . 1 1 31 31 ARG C C 31 178.041 178.041 178.392 -0.351 19673 379 1 2 . 1 1 31 31 ARG CA C 31 57.623 57.623 57.965 -0.342 19673 380 1 2 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.933 -0.105 19673 381 1 2 . 1 1 31 31 ARG H H 31 8.311 8.311 7.347 0.964 19673 382 1 2 . 1 1 32 32 TRP N N 32 121.389 121.389 120.732 0.657 19673 383 1 2 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.249 0.266 19673 384 1 2 . 1 1 32 32 TRP C C 32 176.935 176.935 178.445 -1.510 19673 385 1 2 . 1 1 32 32 TRP CA C 32 59.427 59.427 59.571 -0.144 19673 386 1 2 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.547 0.356 19673 387 1 2 . 1 1 32 32 TRP H H 32 8.579 8.579 7.745 0.834 19673 388 1 2 . 1 1 33 33 ASN N N 33 117.319 117.319 113.837 3.482 19673 389 1 2 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.677 -0.159 19673 390 1 2 . 1 1 33 33 ASN C C 33 175.770 175.770 176.694 -0.924 19673 391 1 2 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.744 0.375 19673 392 1 2 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.317 0.670 19673 393 1 2 . 1 1 33 33 ASN H H 33 8.313 8.313 7.893 0.420 19673 394 1 2 . 1 1 34 34 SER N N 34 114.896 114.896 113.703 1.193 19673 395 1 2 . 1 1 34 34 SER HA H 34 4.481 4.481 4.289 0.192 19673 396 1 2 . 1 1 34 34 SER C C 34 174.852 174.852 175.315 -0.463 19673 397 1 2 . 1 1 34 34 SER CA C 34 59.319 59.319 60.937 -1.618 19673 398 1 2 . 1 1 34 34 SER CB C 34 63.433 63.433 63.671 -0.238 19673 399 1 2 . 1 1 34 34 SER H H 34 7.952 7.952 7.700 0.252 19673 400 1 2 . 1 1 35 35 SER N N 35 117.172 117.172 112.908 4.264 19673 401 1 2 . 1 1 35 35 SER HA H 35 4.518 4.518 4.554 -0.036 19673 402 1 2 . 1 1 35 35 SER C C 35 174.485 174.485 174.143 0.342 19673 403 1 2 . 1 1 35 35 SER CA C 35 58.833 58.833 59.126 -0.293 19673 404 1 2 . 1 1 35 35 SER CB C 35 63.445 63.445 63.806 -0.361 19673 405 1 2 . 1 1 35 35 SER H H 35 8.094 8.094 7.580 0.514 19673 406 1 2 . 1 1 36 36 LYS N N 36 122.146 122.146 121.740 0.406 19673 407 1 2 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.318 0.056 19673 408 1 2 . 1 1 36 36 LYS C C 36 176.339 176.339 175.766 0.573 19673 409 1 2 . 1 1 36 36 LYS CA C 36 56.197 56.197 55.617 0.580 19673 410 1 2 . 1 1 36 36 LYS CB C 36 32.357 32.357 31.709 0.648 19673 411 1 2 . 1 1 36 36 LYS H H 36 8.011 8.011 7.340 0.671 19673 412 1 2 . 1 1 37 37 GLN N N 37 120.055 120.055 118.085 1.970 19673 413 1 2 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.032 0.386 19673 414 1 2 . 1 1 37 37 GLN C C 37 175.424 175.424 174.803 0.621 19673 415 1 2 . 1 1 37 37 GLN CA C 37 55.646 55.646 57.024 -1.378 19673 416 1 2 . 1 1 37 37 GLN CB C 37 29.129 29.129 27.909 1.220 19673 417 1 2 . 1 1 37 37 GLN H H 37 8.177 8.177 7.449 0.728 19673 418 1 2 . 1 1 38 38 ASN N N 38 119.734 119.734 119.317 0.417 19673 419 1 2 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.823 -0.015 19673 420 1 2 . 1 1 38 38 ASN C C 38 174.550 174.550 174.400 0.150 19673 421 1 2 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.775 0.265 19673 422 1 2 . 1 1 38 38 ASN H H 38 8.379 8.379 8.492 -0.113 19673 423 1 2 . 1 1 39 39 LYS N N 39 121.900 121.900 125.997 -4.097 19673 424 1 2 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.382 0.068 19673 425 1 2 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.147 -0.016 19673 426 1 2 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.358 -0.583 19673 427 1 2 . 1 1 39 39 LYS H H 39 8.220 8.220 8.489 -0.269 19673 428 1 2 . 1 1 40 40 GLN N N 40 126.738 126.738 123.584 3.154 19673 429 1 2 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.167 0.120 19673 430 1 2 . 1 1 40 40 GLN CA C 40 57.168 57.168 56.525 0.643 19673 431 1 2 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.675 1.585 19673 432 1 2 . 1 1 40 40 GLN H H 40 8.004 8.004 8.589 -0.585 19673 433 1 3 . 1 1 2 2 ARG N N 2 122.743 122.743 121.773 0.970 19673 434 1 3 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.287 0.225 19673 435 1 3 . 1 1 2 2 ARG C C 2 176.305 176.305 176.397 -0.092 19673 436 1 3 . 1 1 2 2 ARG CA C 2 56.127 56.127 56.692 -0.565 19673 437 1 3 . 1 1 2 2 ARG CB C 2 30.716 30.716 30.229 0.487 19673 438 1 3 . 1 1 2 2 ARG H H 2 8.481 8.481 8.393 0.088 19673 439 1 3 . 1 1 3 3 GLY N N 3 109.588 109.588 116.150 -6.562 19673 440 1 3 . 1 1 3 3 GLY C C 3 174.092 174.092 174.936 -0.844 19673 441 1 3 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.000 0.169 19673 442 1 3 . 1 1 3 3 GLY H H 3 8.576 8.576 8.490 0.086 19673 443 1 3 . 1 1 4 4 THR N N 4 113.251 113.251 113.899 -0.648 19673 444 1 3 . 1 1 4 4 THR HA H 4 4.544 4.544 4.178 0.366 19673 445 1 3 . 1 1 4 4 THR C C 4 174.864 174.864 174.180 0.684 19673 446 1 3 . 1 1 4 4 THR CA C 4 61.955 61.955 62.095 -0.140 19673 447 1 3 . 1 1 4 4 THR H H 4 8.155 8.155 8.461 -0.306 19673 448 1 3 . 1 1 5 5 THR N N 5 114.461 114.461 112.789 1.672 19673 449 1 3 . 1 1 5 5 THR HA H 5 4.454 4.454 3.934 0.520 19673 450 1 3 . 1 1 5 5 THR C C 5 174.181 174.181 174.295 -0.114 19673 451 1 3 . 1 1 5 5 THR CA C 5 62.062 62.062 62.610 -0.548 19673 452 1 3 . 1 1 5 5 THR CB C 5 69.306 69.306 67.753 1.553 19673 453 1 3 . 1 1 5 5 THR H H 5 8.243 8.243 7.802 0.441 19673 454 1 3 . 1 1 6 6 ASP N N 6 121.828 121.828 116.960 4.868 19673 455 1 3 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.718 -0.040 19673 456 1 3 . 1 1 6 6 ASP C C 6 175.797 175.797 175.842 -0.045 19673 457 1 3 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.818 -0.005 19673 458 1 3 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.977 -0.966 19673 459 1 3 . 1 1 6 6 ASP H H 6 8.325 8.325 8.026 0.299 19673 460 1 3 . 1 1 7 7 ASN N N 7 117.808 117.808 119.700 -1.892 19673 461 1 3 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.416 0.412 19673 462 1 3 . 1 1 7 7 ASN C C 7 174.864 174.864 173.860 1.004 19673 463 1 3 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.825 -1.698 19673 464 1 3 . 1 1 7 7 ASN CB C 7 38.696 38.696 37.401 1.295 19673 465 1 3 . 1 1 7 7 ASN H H 7 8.267 8.267 8.565 -0.298 19673 466 1 3 . 1 1 8 8 LEU N N 8 121.126 121.126 116.570 4.556 19673 467 1 3 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.352 -0.022 19673 468 1 3 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.538 0.281 19673 469 1 3 . 1 1 8 8 LEU CB C 8 42.404 42.404 43.412 -1.008 19673 470 1 3 . 1 1 8 8 LEU H H 8 8.452 8.452 7.901 0.551 19673 471 1 3 . 1 1 9 9 ILE N N 9 119.437 119.437 118.037 1.400 19673 472 1 3 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.364 -0.178 19673 473 1 3 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.771 0.070 19673 474 1 3 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.995 -3.228 19673 475 1 3 . 1 1 9 9 ILE H H 9 8.250 8.250 7.764 0.486 19673 476 1 3 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.263 0.117 19673 477 1 3 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.302 -3.357 19673 478 1 3 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.616 0.975 19673 479 1 3 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.058 -0.222 19673 480 1 3 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.383 1.607 19673 481 1 3 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.971 0.164 19673 482 1 3 . 1 1 12 12 TYR N N 12 117.971 117.971 120.290 -2.319 19673 483 1 3 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.115 0.315 19673 484 1 3 . 1 1 12 12 TYR CA C 12 59.774 59.774 62.060 -2.286 19673 485 1 3 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.400 -1.365 19673 486 1 3 . 1 1 12 12 TYR H H 12 8.341 8.341 7.978 0.363 19673 487 1 3 . 1 1 13 13 CYS N N 13 115.494 115.494 118.197 -2.703 19673 488 1 3 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.116 0.245 19673 489 1 3 . 1 1 13 13 CYS C C 13 175.298 175.298 177.038 -1.740 19673 490 1 3 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.852 -3.767 19673 491 1 3 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.503 15.025 19673 492 1 3 . 1 1 13 13 CYS H H 13 8.681 8.681 7.761 0.920 19673 493 1 3 . 1 1 14 14 SER N N 14 116.691 116.691 115.298 1.393 19673 494 1 3 . 1 1 14 14 SER HA H 14 4.200 4.200 4.135 0.065 19673 495 1 3 . 1 1 14 14 SER C C 14 174.951 174.951 176.950 -1.999 19673 496 1 3 . 1 1 14 14 SER CA C 14 62.671 62.671 61.292 1.379 19673 497 1 3 . 1 1 14 14 SER CB C 14 62.565 62.565 61.072 1.493 19673 498 1 3 . 1 1 14 14 SER H H 14 7.923 7.923 8.214 -0.291 19673 499 1 3 . 1 1 15 15 ILE N N 15 120.993 120.993 121.864 -0.871 19673 500 1 3 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.916 -0.151 19673 501 1 3 . 1 1 15 15 ILE C C 15 176.935 176.935 178.001 -1.066 19673 502 1 3 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.126 -0.011 19673 503 1 3 . 1 1 15 15 ILE CB C 15 37.362 37.362 38.089 -0.727 19673 504 1 3 . 1 1 15 15 ILE H H 15 7.930 7.930 7.602 0.328 19673 505 1 3 . 1 1 16 16 LEU N N 16 118.319 118.319 123.103 -4.784 19673 506 1 3 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.879 0.183 19673 507 1 3 . 1 1 16 16 LEU C C 16 177.684 177.684 178.276 -0.592 19673 508 1 3 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.596 -0.644 19673 509 1 3 . 1 1 16 16 LEU CB C 16 41.552 41.552 41.997 -0.445 19673 510 1 3 . 1 1 16 16 LEU H H 16 8.037 8.037 8.464 -0.427 19673 511 1 3 . 1 1 17 17 ALA N N 17 118.970 118.970 122.613 -3.643 19673 512 1 3 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.865 0.150 19673 513 1 3 . 1 1 17 17 ALA C C 17 177.814 177.814 178.725 -0.911 19673 514 1 3 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.749 -0.450 19673 515 1 3 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.704 -1.078 19673 516 1 3 . 1 1 17 17 ALA H H 17 8.260 8.260 8.249 0.011 19673 517 1 3 . 1 1 18 18 ALA N N 18 118.854 118.854 121.384 -2.530 19673 518 1 3 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.798 0.196 19673 519 1 3 . 1 1 18 18 ALA C C 18 178.578 178.578 178.865 -0.287 19673 520 1 3 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.236 0.063 19673 521 1 3 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.933 -0.271 19673 522 1 3 . 1 1 18 18 ALA H H 18 8.027 8.027 7.739 0.288 19673 523 1 3 . 1 1 19 19 VAL N N 19 116.253 116.253 118.292 -2.039 19673 524 1 3 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.747 -0.101 19673 525 1 3 . 1 1 19 19 VAL C C 19 176.935 176.935 178.178 -1.243 19673 526 1 3 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.519 0.985 19673 527 1 3 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.892 0.127 19673 528 1 3 . 1 1 19 19 VAL H H 19 8.259 8.259 7.781 0.478 19673 529 1 3 . 1 1 20 20 VAL N N 20 118.427 118.427 118.318 0.109 19673 530 1 3 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.554 0.085 19673 531 1 3 . 1 1 20 20 VAL C C 20 177.044 177.044 178.268 -1.224 19673 532 1 3 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.571 0.931 19673 533 1 3 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.093 -0.192 19673 534 1 3 . 1 1 20 20 VAL H H 20 8.206 8.206 7.672 0.534 19673 535 1 3 . 1 1 21 21 VAL N N 21 118.319 118.319 119.958 -1.639 19673 536 1 3 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.519 0.057 19673 537 1 3 . 1 1 21 21 VAL C C 21 177.239 177.239 178.069 -0.830 19673 538 1 3 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.909 0.198 19673 539 1 3 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.443 -0.745 19673 540 1 3 . 1 1 21 21 VAL H H 21 8.511 8.511 8.048 0.463 19673 541 1 3 . 1 1 22 22 GLY N N 22 106.678 106.678 108.423 -1.745 19673 542 1 3 . 1 1 22 22 GLY C C 22 174.192 174.192 177.100 -2.908 19673 543 1 3 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.978 -2.649 19673 544 1 3 . 1 1 22 22 GLY H H 22 8.665 8.665 8.609 0.056 19673 545 1 3 . 1 1 23 23 LEU N N 23 121.389 121.389 119.213 2.176 19673 546 1 3 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.974 0.313 19673 547 1 3 . 1 1 23 23 LEU C C 23 178.486 178.486 178.161 0.325 19673 548 1 3 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.981 1.137 19673 549 1 3 . 1 1 23 23 LEU H H 23 8.604 8.604 7.977 0.627 19673 550 1 3 . 1 1 24 24 VAL N N 24 118.366 118.366 121.619 -3.253 19673 551 1 3 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.825 -0.173 19673 552 1 3 . 1 1 24 24 VAL C C 24 177.109 177.109 178.061 -0.952 19673 553 1 3 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.603 1.389 19673 554 1 3 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.954 -1.162 19673 555 1 3 . 1 1 24 24 VAL H H 24 8.514 8.514 7.944 0.570 19673 556 1 3 . 1 1 25 25 ALA N N 25 121.150 121.150 120.805 0.345 19673 557 1 3 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.812 0.271 19673 558 1 3 . 1 1 25 25 ALA C C 25 178.345 178.345 179.699 -1.354 19673 559 1 3 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.245 -0.991 19673 560 1 3 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.125 -0.397 19673 561 1 3 . 1 1 25 25 ALA H H 25 8.864 8.864 7.996 0.868 19673 562 1 3 . 1 1 26 26 TYR N N 26 118.180 118.180 120.046 -1.866 19673 563 1 3 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.432 -0.142 19673 564 1 3 . 1 1 26 26 TYR C C 26 176.867 176.867 177.990 -1.123 19673 565 1 3 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.931 1.048 19673 566 1 3 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.776 0.750 19673 567 1 3 . 1 1 26 26 TYR H H 26 8.686 8.686 8.079 0.607 19673 568 1 3 . 1 1 27 27 ILE N N 27 118.426 118.426 121.113 -2.687 19673 569 1 3 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.975 -0.380 19673 570 1 3 . 1 1 27 27 ILE C C 27 177.922 177.922 177.877 0.045 19673 571 1 3 . 1 1 27 27 ILE CA C 27 64.740 64.740 63.930 0.810 19673 572 1 3 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.308 -0.933 19673 573 1 3 . 1 1 27 27 ILE H H 27 8.537 8.537 7.994 0.543 19673 574 1 3 . 1 1 28 28 ALA N N 28 121.944 121.944 121.729 0.215 19673 575 1 3 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.500 0.513 19673 576 1 3 . 1 1 28 28 ALA C C 28 178.779 178.779 179.219 -0.440 19673 577 1 3 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.753 -0.454 19673 578 1 3 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.749 -0.775 19673 579 1 3 . 1 1 28 28 ALA H H 28 8.920 8.920 8.033 0.887 19673 580 1 3 . 1 1 29 29 PHE N N 29 117.662 117.662 119.911 -2.249 19673 581 1 3 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.277 0.070 19673 582 1 3 . 1 1 29 29 PHE C C 29 177.543 177.543 177.665 -0.122 19673 583 1 3 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.173 0.033 19673 584 1 3 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.112 0.954 19673 585 1 3 . 1 1 29 29 PHE H H 29 8.868 8.868 8.108 0.760 19673 586 1 3 . 1 1 30 30 LYS N N 30 118.519 118.519 119.719 -1.200 19673 587 1 3 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.952 0.042 19673 588 1 3 . 1 1 30 30 LYS C C 30 179.148 179.148 178.651 0.497 19673 589 1 3 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.192 -0.361 19673 590 1 3 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.485 -1.366 19673 591 1 3 . 1 1 30 30 LYS H H 30 8.437 8.437 7.793 0.644 19673 592 1 3 . 1 1 31 31 ARG N N 31 118.783 118.783 119.853 -1.070 19673 593 1 3 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.553 0.712 19673 594 1 3 . 1 1 31 31 ARG C C 31 178.041 178.041 178.188 -0.147 19673 595 1 3 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.039 -1.417 19673 596 1 3 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.690 0.138 19673 597 1 3 . 1 1 31 31 ARG H H 31 8.311 8.311 7.778 0.533 19673 598 1 3 . 1 1 32 32 TRP N N 32 121.389 121.389 119.546 1.843 19673 599 1 3 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.320 0.195 19673 600 1 3 . 1 1 32 32 TRP C C 32 176.935 176.935 178.758 -1.823 19673 601 1 3 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.473 -1.046 19673 602 1 3 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.130 -0.227 19673 603 1 3 . 1 1 32 32 TRP H H 32 8.579 8.579 7.670 0.909 19673 604 1 3 . 1 1 33 33 ASN N N 33 117.319 117.319 116.081 1.238 19673 605 1 3 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.651 -0.133 19673 606 1 3 . 1 1 33 33 ASN C C 33 175.770 175.770 176.373 -0.603 19673 607 1 3 . 1 1 33 33 ASN CA C 33 54.119 54.119 55.927 -1.808 19673 608 1 3 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.612 0.375 19673 609 1 3 . 1 1 33 33 ASN H H 33 8.313 8.313 8.476 -0.163 19673 610 1 3 . 1 1 34 34 SER N N 34 114.896 114.896 116.110 -1.214 19673 611 1 3 . 1 1 34 34 SER HA H 34 4.481 4.481 4.154 0.328 19673 612 1 3 . 1 1 34 34 SER C C 34 174.852 174.852 175.471 -0.619 19673 613 1 3 . 1 1 34 34 SER CA C 34 59.319 59.319 60.798 -1.479 19673 614 1 3 . 1 1 34 34 SER CB C 34 63.433 63.433 63.076 0.357 19673 615 1 3 . 1 1 34 34 SER H H 34 7.952 7.952 7.821 0.131 19673 616 1 3 . 1 1 35 35 SER N N 35 117.172 117.172 113.818 3.354 19673 617 1 3 . 1 1 35 35 SER HA H 35 4.518 4.518 4.386 0.132 19673 618 1 3 . 1 1 35 35 SER C C 35 174.485 174.485 176.263 -1.778 19673 619 1 3 . 1 1 35 35 SER CA C 35 58.833 58.833 59.992 -1.159 19673 620 1 3 . 1 1 35 35 SER CB C 35 63.445 63.445 63.873 -0.428 19673 621 1 3 . 1 1 35 35 SER H H 35 8.094 8.094 7.612 0.482 19673 622 1 3 . 1 1 36 36 LYS N N 36 122.146 122.146 121.623 0.523 19673 623 1 3 . 1 1 36 36 LYS HA H 36 4.374 4.374 3.957 0.417 19673 624 1 3 . 1 1 36 36 LYS C C 36 176.339 176.339 176.474 -0.135 19673 625 1 3 . 1 1 36 36 LYS CA C 36 56.197 56.197 58.856 -2.659 19673 626 1 3 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.480 -0.124 19673 627 1 3 . 1 1 36 36 LYS H H 36 8.011 8.011 7.571 0.440 19673 628 1 3 . 1 1 37 37 GLN N N 37 120.055 120.055 119.994 0.061 19673 629 1 3 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.341 0.077 19673 630 1 3 . 1 1 37 37 GLN C C 37 175.424 175.424 173.675 1.749 19673 631 1 3 . 1 1 37 37 GLN CA C 37 55.646 55.646 54.872 0.774 19673 632 1 3 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.198 0.931 19673 633 1 3 . 1 1 37 37 GLN H H 37 8.177 8.177 7.260 0.917 19673 634 1 3 . 1 1 38 38 ASN N N 38 119.734 119.734 121.372 -1.638 19673 635 1 3 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.808 0.000 19673 636 1 3 . 1 1 38 38 ASN C C 38 174.550 174.550 173.859 0.691 19673 637 1 3 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.641 -0.601 19673 638 1 3 . 1 1 38 38 ASN H H 38 8.379 8.379 8.297 0.082 19673 639 1 3 . 1 1 39 39 LYS N N 39 121.900 121.900 121.268 0.632 19673 640 1 3 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.298 0.152 19673 641 1 3 . 1 1 39 39 LYS CA C 39 56.131 56.131 57.039 -0.909 19673 642 1 3 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.192 -0.417 19673 643 1 3 . 1 1 39 39 LYS H H 39 8.220 8.220 8.015 0.205 19673 644 1 3 . 1 1 40 40 GLN N N 40 126.738 126.738 123.889 2.849 19673 645 1 3 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.579 -0.292 19673 646 1 3 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.402 1.766 19673 647 1 3 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.262 1.998 19673 648 1 3 . 1 1 40 40 GLN H H 40 8.004 8.004 8.462 -0.458 19673 649 1 4 . 1 1 2 2 ARG N N 2 122.743 122.743 119.912 2.831 19673 650 1 4 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.642 -0.130 19673 651 1 4 . 1 1 2 2 ARG C C 2 176.305 176.305 175.213 1.092 19673 652 1 4 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.171 0.956 19673 653 1 4 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.779 -1.063 19673 654 1 4 . 1 1 2 2 ARG H H 2 8.481 8.481 7.741 0.740 19673 655 1 4 . 1 1 3 3 GLY N N 3 109.588 109.588 110.726 -1.138 19673 656 1 4 . 1 1 3 3 GLY C C 3 174.092 174.092 174.716 -0.624 19673 657 1 4 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.143 0.026 19673 658 1 4 . 1 1 3 3 GLY H H 3 8.576 8.576 8.487 0.089 19673 659 1 4 . 1 1 4 4 THR N N 4 113.251 113.251 116.058 -2.807 19673 660 1 4 . 1 1 4 4 THR HA H 4 4.544 4.544 4.321 0.223 19673 661 1 4 . 1 1 4 4 THR C C 4 174.864 174.864 173.821 1.043 19673 662 1 4 . 1 1 4 4 THR CA C 4 61.955 61.955 61.967 -0.012 19673 663 1 4 . 1 1 4 4 THR H H 4 8.155 8.155 8.554 -0.399 19673 664 1 4 . 1 1 5 5 THR N N 5 114.461 114.461 113.732 0.729 19673 665 1 4 . 1 1 5 5 THR HA H 5 4.454 4.454 4.065 0.389 19673 666 1 4 . 1 1 5 5 THR C C 5 174.181 174.181 172.751 1.430 19673 667 1 4 . 1 1 5 5 THR CA C 5 62.062 62.062 62.452 -0.390 19673 668 1 4 . 1 1 5 5 THR CB C 5 69.306 69.306 68.417 0.889 19673 669 1 4 . 1 1 5 5 THR H H 5 8.243 8.243 7.971 0.272 19673 670 1 4 . 1 1 6 6 ASP N N 6 121.828 121.828 119.666 2.162 19673 671 1 4 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.732 -0.054 19673 672 1 4 . 1 1 6 6 ASP C C 6 175.797 175.797 175.362 0.435 19673 673 1 4 . 1 1 6 6 ASP CA C 6 54.813 54.813 52.664 2.149 19673 674 1 4 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.891 -0.879 19673 675 1 4 . 1 1 6 6 ASP H H 6 8.325 8.325 7.739 0.586 19673 676 1 4 . 1 1 7 7 ASN N N 7 117.808 117.808 123.245 -5.437 19673 677 1 4 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.690 0.138 19673 678 1 4 . 1 1 7 7 ASN C C 7 174.864 174.864 174.706 0.158 19673 679 1 4 . 1 1 7 7 ASN CA C 7 53.127 53.127 52.723 0.404 19673 680 1 4 . 1 1 7 7 ASN CB C 7 38.696 38.696 38.179 0.517 19673 681 1 4 . 1 1 7 7 ASN H H 7 8.267 8.267 8.636 -0.369 19673 682 1 4 . 1 1 8 8 LEU N N 8 121.126 121.126 119.984 1.142 19673 683 1 4 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.819 0.511 19673 684 1 4 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.750 0.069 19673 685 1 4 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.610 0.794 19673 686 1 4 . 1 1 8 8 LEU H H 8 8.452 8.452 8.392 0.060 19673 687 1 4 . 1 1 9 9 ILE N N 9 119.437 119.437 116.742 2.695 19673 688 1 4 . 1 1 9 9 ILE HA H 9 4.186 4.186 3.982 0.204 19673 689 1 4 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.610 0.231 19673 690 1 4 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.316 -2.550 19673 691 1 4 . 1 1 9 9 ILE H H 9 8.250 8.250 7.672 0.578 19673 692 1 4 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.064 0.316 19673 693 1 4 . 1 1 10 10 PRO CA C 10 64.946 64.946 67.509 -2.563 19673 694 1 4 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.907 1.684 19673 695 1 4 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.987 -0.151 19673 696 1 4 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.191 1.799 19673 697 1 4 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.026 0.109 19673 698 1 4 . 1 1 12 12 TYR N N 12 117.971 117.971 119.685 -1.714 19673 699 1 4 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.050 0.380 19673 700 1 4 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.663 -1.889 19673 701 1 4 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.224 -1.189 19673 702 1 4 . 1 1 12 12 TYR H H 12 8.341 8.341 7.843 0.498 19673 703 1 4 . 1 1 13 13 CYS N N 13 115.494 115.494 116.990 -1.496 19673 704 1 4 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.172 0.189 19673 705 1 4 . 1 1 13 13 CYS C C 13 175.298 175.298 177.191 -1.893 19673 706 1 4 . 1 1 13 13 CYS CA C 13 59.085 59.085 61.813 -2.728 19673 707 1 4 . 1 1 13 13 CYS CB C 13 41.529 41.529 25.643 15.886 19673 708 1 4 . 1 1 13 13 CYS H H 13 8.681 8.681 7.105 1.576 19673 709 1 4 . 1 1 14 14 SER N N 14 116.691 116.691 115.348 1.343 19673 710 1 4 . 1 1 14 14 SER HA H 14 4.200 4.200 4.196 0.004 19673 711 1 4 . 1 1 14 14 SER C C 14 174.951 174.951 177.132 -2.181 19673 712 1 4 . 1 1 14 14 SER CA C 14 62.671 62.671 61.121 1.550 19673 713 1 4 . 1 1 14 14 SER CB C 14 62.565 62.565 61.082 1.483 19673 714 1 4 . 1 1 14 14 SER H H 14 7.923 7.923 8.162 -0.239 19673 715 1 4 . 1 1 15 15 ILE N N 15 120.993 120.993 121.894 -0.901 19673 716 1 4 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.987 -0.222 19673 717 1 4 . 1 1 15 15 ILE C C 15 176.935 176.935 178.131 -1.196 19673 718 1 4 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.215 -0.099 19673 719 1 4 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.458 -0.096 19673 720 1 4 . 1 1 15 15 ILE H H 15 7.930 7.930 7.994 -0.064 19673 721 1 4 . 1 1 16 16 LEU N N 16 118.319 118.319 122.915 -4.596 19673 722 1 4 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.916 0.146 19673 723 1 4 . 1 1 16 16 LEU C C 16 177.684 177.684 178.428 -0.744 19673 724 1 4 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.581 -0.629 19673 725 1 4 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.018 -0.466 19673 726 1 4 . 1 1 16 16 LEU H H 16 8.037 8.037 8.142 -0.105 19673 727 1 4 . 1 1 17 17 ALA N N 17 118.970 118.970 122.697 -3.727 19673 728 1 4 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.950 0.065 19673 729 1 4 . 1 1 17 17 ALA C C 17 177.814 177.814 178.788 -0.974 19673 730 1 4 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.661 -0.362 19673 731 1 4 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.821 -1.195 19673 732 1 4 . 1 1 17 17 ALA H H 17 8.260 8.260 8.358 -0.098 19673 733 1 4 . 1 1 18 18 ALA N N 18 118.854 118.854 121.566 -2.712 19673 734 1 4 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.827 0.167 19673 735 1 4 . 1 1 18 18 ALA C C 18 178.578 178.578 178.939 -0.361 19673 736 1 4 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.197 0.102 19673 737 1 4 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.992 -0.330 19673 738 1 4 . 1 1 18 18 ALA H H 18 8.027 8.027 7.920 0.107 19673 739 1 4 . 1 1 19 19 VAL N N 19 116.253 116.253 118.041 -1.788 19673 740 1 4 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.787 -0.141 19673 741 1 4 . 1 1 19 19 VAL C C 19 176.935 176.935 178.091 -1.156 19673 742 1 4 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.371 1.133 19673 743 1 4 . 1 1 19 19 VAL CB C 19 31.019 31.019 31.039 -0.020 19673 744 1 4 . 1 1 19 19 VAL H H 19 8.259 8.259 7.744 0.515 19673 745 1 4 . 1 1 20 20 VAL N N 20 118.427 118.427 119.093 -0.666 19673 746 1 4 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.535 0.104 19673 747 1 4 . 1 1 20 20 VAL C C 20 177.044 177.044 178.344 -1.300 19673 748 1 4 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.660 0.842 19673 749 1 4 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.557 -0.656 19673 750 1 4 . 1 1 20 20 VAL H H 20 8.206 8.206 7.734 0.472 19673 751 1 4 . 1 1 21 21 VAL N N 21 118.319 118.319 119.565 -1.246 19673 752 1 4 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.608 -0.032 19673 753 1 4 . 1 1 21 21 VAL C C 21 177.239 177.239 177.982 -0.743 19673 754 1 4 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.496 0.612 19673 755 1 4 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.549 0.149 19673 756 1 4 . 1 1 21 21 VAL H H 21 8.511 8.511 8.282 0.229 19673 757 1 4 . 1 1 22 22 GLY N N 22 106.678 106.678 108.439 -1.761 19673 758 1 4 . 1 1 22 22 GLY C C 22 174.192 174.192 177.036 -2.844 19673 759 1 4 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.791 -2.462 19673 760 1 4 . 1 1 22 22 GLY H H 22 8.665 8.665 8.425 0.240 19673 761 1 4 . 1 1 23 23 LEU N N 23 121.389 121.389 119.351 2.038 19673 762 1 4 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.986 0.301 19673 763 1 4 . 1 1 23 23 LEU C C 23 178.486 178.486 178.019 0.467 19673 764 1 4 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.974 1.144 19673 765 1 4 . 1 1 23 23 LEU H H 23 8.604 8.604 7.909 0.695 19673 766 1 4 . 1 1 24 24 VAL N N 24 118.366 118.366 121.462 -3.096 19673 767 1 4 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.861 -0.209 19673 768 1 4 . 1 1 24 24 VAL C C 24 177.109 177.109 177.902 -0.793 19673 769 1 4 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.559 1.432 19673 770 1 4 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.925 -1.133 19673 771 1 4 . 1 1 24 24 VAL H H 24 8.514 8.514 8.062 0.452 19673 772 1 4 . 1 1 25 25 ALA N N 25 121.150 121.150 120.830 0.320 19673 773 1 4 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.783 0.300 19673 774 1 4 . 1 1 25 25 ALA C C 25 178.345 178.345 179.801 -1.456 19673 775 1 4 . 1 1 25 25 ALA CA C 25 55.254 55.254 55.908 -0.654 19673 776 1 4 . 1 1 25 25 ALA CB C 25 17.728 17.728 17.811 -0.083 19673 777 1 4 . 1 1 25 25 ALA H H 25 8.864 8.864 8.279 0.585 19673 778 1 4 . 1 1 26 26 TYR N N 26 118.180 118.180 120.091 -1.911 19673 779 1 4 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.477 -0.187 19673 780 1 4 . 1 1 26 26 TYR C C 26 176.867 176.867 177.981 -1.114 19673 781 1 4 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.913 1.066 19673 782 1 4 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.821 0.705 19673 783 1 4 . 1 1 26 26 TYR H H 26 8.686 8.686 8.184 0.502 19673 784 1 4 . 1 1 27 27 ILE N N 27 118.426 118.426 121.095 -2.669 19673 785 1 4 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.969 -0.374 19673 786 1 4 . 1 1 27 27 ILE C C 27 177.922 177.922 177.854 0.068 19673 787 1 4 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.164 0.576 19673 788 1 4 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.350 -0.975 19673 789 1 4 . 1 1 27 27 ILE H H 27 8.537 8.537 7.936 0.601 19673 790 1 4 . 1 1 28 28 ALA N N 28 121.944 121.944 121.593 0.351 19673 791 1 4 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.460 0.553 19673 792 1 4 . 1 1 28 28 ALA C C 28 178.779 178.779 178.989 -0.210 19673 793 1 4 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.484 -0.185 19673 794 1 4 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.750 -0.776 19673 795 1 4 . 1 1 28 28 ALA H H 28 8.920 8.920 8.033 0.887 19673 796 1 4 . 1 1 29 29 PHE N N 29 117.662 117.662 119.878 -2.216 19673 797 1 4 . 1 1 29 29 PHE HA H 29 4.347 4.347 3.739 0.608 19673 798 1 4 . 1 1 29 29 PHE C C 29 177.543 177.543 177.244 0.299 19673 799 1 4 . 1 1 29 29 PHE CA C 29 61.206 61.206 60.938 0.269 19673 800 1 4 . 1 1 29 29 PHE CB C 29 39.066 39.066 37.765 1.301 19673 801 1 4 . 1 1 29 29 PHE H H 29 8.868 8.868 8.021 0.847 19673 802 1 4 . 1 1 30 30 LYS N N 30 118.519 118.519 119.258 -0.739 19673 803 1 4 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.103 -0.109 19673 804 1 4 . 1 1 30 30 LYS C C 30 179.148 179.148 178.311 0.837 19673 805 1 4 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.524 -0.693 19673 806 1 4 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.536 -1.417 19673 807 1 4 . 1 1 30 30 LYS H H 30 8.437 8.437 7.811 0.626 19673 808 1 4 . 1 1 31 31 ARG N N 31 118.783 118.783 117.908 0.875 19673 809 1 4 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.629 0.636 19673 810 1 4 . 1 1 31 31 ARG C C 31 178.041 178.041 178.437 -0.396 19673 811 1 4 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.605 -0.982 19673 812 1 4 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.673 0.155 19673 813 1 4 . 1 1 31 31 ARG H H 31 8.311 8.311 7.479 0.832 19673 814 1 4 . 1 1 32 32 TRP N N 32 121.389 121.389 120.142 1.247 19673 815 1 4 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.239 0.276 19673 816 1 4 . 1 1 32 32 TRP C C 32 176.935 176.935 177.212 -0.277 19673 817 1 4 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.117 -0.690 19673 818 1 4 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.408 -0.505 19673 819 1 4 . 1 1 32 32 TRP H H 32 8.579 8.579 7.561 1.018 19673 820 1 4 . 1 1 33 33 ASN N N 33 117.319 117.319 112.982 4.337 19673 821 1 4 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.833 -0.315 19673 822 1 4 . 1 1 33 33 ASN C C 33 175.770 175.770 176.488 -0.718 19673 823 1 4 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.255 0.864 19673 824 1 4 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.438 0.549 19673 825 1 4 . 1 1 33 33 ASN H H 33 8.313 8.313 8.298 0.015 19673 826 1 4 . 1 1 34 34 SER N N 34 114.896 114.896 115.010 -0.114 19673 827 1 4 . 1 1 34 34 SER HA H 34 4.481 4.481 4.144 0.337 19673 828 1 4 . 1 1 34 34 SER C C 34 174.852 174.852 175.404 -0.552 19673 829 1 4 . 1 1 34 34 SER CA C 34 59.319 59.319 60.709 -1.390 19673 830 1 4 . 1 1 34 34 SER CB C 34 63.433 63.433 63.451 -0.018 19673 831 1 4 . 1 1 34 34 SER H H 34 7.952 7.952 7.705 0.247 19673 832 1 4 . 1 1 35 35 SER N N 35 117.172 117.172 110.923 6.249 19673 833 1 4 . 1 1 35 35 SER HA H 35 4.518 4.518 4.443 0.075 19673 834 1 4 . 1 1 35 35 SER C C 35 174.485 174.485 174.760 -0.275 19673 835 1 4 . 1 1 35 35 SER CA C 35 58.833 58.833 58.193 0.640 19673 836 1 4 . 1 1 35 35 SER CB C 35 63.445 63.445 63.825 -0.380 19673 837 1 4 . 1 1 35 35 SER H H 35 8.094 8.094 7.702 0.392 19673 838 1 4 . 1 1 36 36 LYS N N 36 122.146 122.146 123.734 -1.588 19673 839 1 4 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.003 0.371 19673 840 1 4 . 1 1 36 36 LYS C C 36 176.339 176.339 176.627 -0.288 19673 841 1 4 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.469 -1.272 19673 842 1 4 . 1 1 36 36 LYS CB C 36 32.357 32.357 33.128 -0.771 19673 843 1 4 . 1 1 36 36 LYS H H 36 8.011 8.011 7.678 0.333 19673 844 1 4 . 1 1 37 37 GLN N N 37 120.055 120.055 120.461 -0.406 19673 845 1 4 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.518 -0.100 19673 846 1 4 . 1 1 37 37 GLN C C 37 175.424 175.424 176.134 -0.710 19673 847 1 4 . 1 1 37 37 GLN CA C 37 55.646 55.646 56.016 -0.369 19673 848 1 4 . 1 1 37 37 GLN CB C 37 29.129 29.129 29.966 -0.837 19673 849 1 4 . 1 1 37 37 GLN H H 37 8.177 8.177 8.709 -0.532 19673 850 1 4 . 1 1 38 38 ASN N N 38 119.734 119.734 115.239 4.495 19673 851 1 4 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.906 -0.098 19673 852 1 4 . 1 1 38 38 ASN C C 38 174.550 174.550 174.154 0.396 19673 853 1 4 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.140 -0.100 19673 854 1 4 . 1 1 38 38 ASN H H 38 8.379 8.379 8.115 0.264 19673 855 1 4 . 1 1 39 39 LYS N N 39 121.900 121.900 122.229 -0.329 19673 856 1 4 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.469 -0.019 19673 857 1 4 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.559 -0.428 19673 858 1 4 . 1 1 39 39 LYS CB C 39 32.775 32.775 34.108 -1.333 19673 859 1 4 . 1 1 39 39 LYS H H 39 8.220 8.220 8.210 0.010 19673 860 1 4 . 1 1 40 40 GLN N N 40 126.738 126.738 119.754 6.984 19673 861 1 4 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.664 -0.377 19673 862 1 4 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.161 2.007 19673 863 1 4 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.947 0.313 19673 864 1 4 . 1 1 40 40 GLN H H 40 8.004 8.004 8.091 -0.087 19673 865 1 5 . 1 1 2 2 ARG N N 2 122.743 122.743 123.417 -0.674 19673 866 1 5 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.178 0.334 19673 867 1 5 . 1 1 2 2 ARG C C 2 176.305 176.305 175.090 1.215 19673 868 1 5 . 1 1 2 2 ARG CA C 2 56.127 56.127 56.045 0.082 19673 869 1 5 . 1 1 2 2 ARG CB C 2 30.716 30.716 30.647 0.069 19673 870 1 5 . 1 1 2 2 ARG H H 2 8.481 8.481 8.168 0.313 19673 871 1 5 . 1 1 3 3 GLY N N 3 109.588 109.588 113.192 -3.604 19673 872 1 5 . 1 1 3 3 GLY C C 3 174.092 174.092 174.909 -0.817 19673 873 1 5 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.127 0.042 19673 874 1 5 . 1 1 3 3 GLY H H 3 8.576 8.576 8.465 0.111 19673 875 1 5 . 1 1 4 4 THR N N 4 113.251 113.251 119.379 -6.128 19673 876 1 5 . 1 1 4 4 THR HA H 4 4.544 4.544 4.325 0.219 19673 877 1 5 . 1 1 4 4 THR C C 4 174.864 174.864 173.504 1.360 19673 878 1 5 . 1 1 4 4 THR CA C 4 61.955 61.955 62.613 -0.658 19673 879 1 5 . 1 1 4 4 THR H H 4 8.155 8.155 8.720 -0.565 19673 880 1 5 . 1 1 5 5 THR N N 5 114.461 114.461 113.789 0.672 19673 881 1 5 . 1 1 5 5 THR HA H 5 4.454 4.454 4.033 0.421 19673 882 1 5 . 1 1 5 5 THR C C 5 174.181 174.181 174.757 -0.576 19673 883 1 5 . 1 1 5 5 THR CA C 5 62.062 62.062 62.773 -0.711 19673 884 1 5 . 1 1 5 5 THR CB C 5 69.306 69.306 68.226 1.080 19673 885 1 5 . 1 1 5 5 THR H H 5 8.243 8.243 8.002 0.240 19673 886 1 5 . 1 1 6 6 ASP N N 6 121.828 121.828 120.376 1.452 19673 887 1 5 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.704 -0.026 19673 888 1 5 . 1 1 6 6 ASP C C 6 175.797 175.797 175.513 0.284 19673 889 1 5 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.662 0.151 19673 890 1 5 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.471 -0.459 19673 891 1 5 . 1 1 6 6 ASP H H 6 8.325 8.325 7.889 0.436 19673 892 1 5 . 1 1 7 7 ASN N N 7 117.808 117.808 118.485 -0.677 19673 893 1 5 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.514 0.314 19673 894 1 5 . 1 1 7 7 ASN C C 7 174.864 174.864 174.102 0.762 19673 895 1 5 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.938 -0.811 19673 896 1 5 . 1 1 7 7 ASN CB C 7 38.696 38.696 36.402 2.294 19673 897 1 5 . 1 1 7 7 ASN H H 7 8.267 8.267 8.417 -0.150 19673 898 1 5 . 1 1 8 8 LEU N N 8 121.126 121.126 118.149 2.977 19673 899 1 5 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.921 0.409 19673 900 1 5 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.843 -0.024 19673 901 1 5 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.715 0.689 19673 902 1 5 . 1 1 8 8 LEU H H 8 8.452 8.452 8.543 -0.091 19673 903 1 5 . 1 1 9 9 ILE N N 9 119.437 119.437 119.987 -0.550 19673 904 1 5 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.128 0.058 19673 905 1 5 . 1 1 9 9 ILE CA C 9 62.841 62.841 61.565 1.276 19673 906 1 5 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.429 -2.662 19673 907 1 5 . 1 1 9 9 ILE H H 9 8.250 8.250 7.985 0.265 19673 908 1 5 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.332 0.048 19673 909 1 5 . 1 1 10 10 PRO CA C 10 64.946 64.946 67.716 -2.770 19673 910 1 5 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.352 1.239 19673 911 1 5 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.088 -0.252 19673 912 1 5 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.246 1.744 19673 913 1 5 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.129 0.007 19673 914 1 5 . 1 1 12 12 TYR N N 12 117.971 117.971 119.708 -1.737 19673 915 1 5 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.246 0.184 19673 916 1 5 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.017 -1.244 19673 917 1 5 . 1 1 12 12 TYR CB C 12 37.035 37.035 37.853 -0.818 19673 918 1 5 . 1 1 12 12 TYR H H 12 8.341 8.341 8.161 0.180 19673 919 1 5 . 1 1 13 13 CYS N N 13 115.494 115.494 118.795 -3.301 19673 920 1 5 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.163 0.198 19673 921 1 5 . 1 1 13 13 CYS C C 13 175.298 175.298 177.245 -1.947 19673 922 1 5 . 1 1 13 13 CYS CA C 13 59.085 59.085 63.273 -4.188 19673 923 1 5 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.357 15.172 19673 924 1 5 . 1 1 13 13 CYS H H 13 8.681 8.681 7.787 0.894 19673 925 1 5 . 1 1 14 14 SER N N 14 116.691 116.691 115.087 1.604 19673 926 1 5 . 1 1 14 14 SER HA H 14 4.200 4.200 4.153 0.047 19673 927 1 5 . 1 1 14 14 SER C C 14 174.951 174.951 176.958 -2.007 19673 928 1 5 . 1 1 14 14 SER CA C 14 62.671 62.671 60.910 1.761 19673 929 1 5 . 1 1 14 14 SER CB C 14 62.565 62.565 61.215 1.350 19673 930 1 5 . 1 1 14 14 SER H H 14 7.923 7.923 8.209 -0.286 19673 931 1 5 . 1 1 15 15 ILE N N 15 120.993 120.993 122.104 -1.111 19673 932 1 5 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.926 -0.161 19673 933 1 5 . 1 1 15 15 ILE C C 15 176.935 176.935 178.150 -1.215 19673 934 1 5 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.745 -0.629 19673 935 1 5 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.827 -0.465 19673 936 1 5 . 1 1 15 15 ILE H H 15 7.930 7.930 7.637 0.293 19673 937 1 5 . 1 1 16 16 LEU N N 16 118.319 118.319 123.350 -5.031 19673 938 1 5 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.882 0.180 19673 939 1 5 . 1 1 16 16 LEU C C 16 177.684 177.684 178.518 -0.834 19673 940 1 5 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.540 -0.588 19673 941 1 5 . 1 1 16 16 LEU CB C 16 41.552 41.552 41.847 -0.295 19673 942 1 5 . 1 1 16 16 LEU H H 16 8.037 8.037 8.475 -0.438 19673 943 1 5 . 1 1 17 17 ALA N N 17 118.970 118.970 122.588 -3.618 19673 944 1 5 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.867 0.148 19673 945 1 5 . 1 1 17 17 ALA C C 17 177.814 177.814 178.863 -1.049 19673 946 1 5 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.654 -0.355 19673 947 1 5 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.732 -1.106 19673 948 1 5 . 1 1 17 17 ALA H H 17 8.260 8.260 8.213 0.047 19673 949 1 5 . 1 1 18 18 ALA N N 18 118.854 118.854 121.354 -2.500 19673 950 1 5 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.794 0.200 19673 951 1 5 . 1 1 18 18 ALA C C 18 178.578 178.578 178.888 -0.310 19673 952 1 5 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.245 0.054 19673 953 1 5 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.964 -0.302 19673 954 1 5 . 1 1 18 18 ALA H H 18 8.027 8.027 7.738 0.289 19673 955 1 5 . 1 1 19 19 VAL N N 19 116.253 116.253 118.172 -1.919 19673 956 1 5 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.804 -0.158 19673 957 1 5 . 1 1 19 19 VAL C C 19 176.935 176.935 178.144 -1.209 19673 958 1 5 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.477 1.027 19673 959 1 5 . 1 1 19 19 VAL CB C 19 31.019 31.019 31.064 -0.045 19673 960 1 5 . 1 1 19 19 VAL H H 19 8.259 8.259 7.821 0.438 19673 961 1 5 . 1 1 20 20 VAL N N 20 118.427 118.427 118.203 0.224 19673 962 1 5 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.691 -0.052 19673 963 1 5 . 1 1 20 20 VAL C C 20 177.044 177.044 178.413 -1.369 19673 964 1 5 . 1 1 20 20 VAL CA C 20 67.502 67.502 65.831 1.671 19673 965 1 5 . 1 1 20 20 VAL CB C 20 30.901 30.901 30.970 -0.069 19673 966 1 5 . 1 1 20 20 VAL H H 20 8.206 8.206 7.795 0.411 19673 967 1 5 . 1 1 21 21 VAL N N 21 118.319 118.319 120.458 -2.139 19673 968 1 5 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.710 -0.134 19673 969 1 5 . 1 1 21 21 VAL C C 21 177.239 177.239 177.969 -0.730 19673 970 1 5 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.519 0.589 19673 971 1 5 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.875 -0.177 19673 972 1 5 . 1 1 21 21 VAL H H 21 8.511 8.511 7.994 0.517 19673 973 1 5 . 1 1 22 22 GLY N N 22 106.678 106.678 108.770 -2.092 19673 974 1 5 . 1 1 22 22 GLY C C 22 174.192 174.192 177.279 -3.087 19673 975 1 5 . 1 1 22 22 GLY CA C 22 47.329 47.329 50.055 -2.726 19673 976 1 5 . 1 1 22 22 GLY H H 22 8.665 8.665 8.791 -0.126 19673 977 1 5 . 1 1 23 23 LEU N N 23 121.389 121.389 119.448 1.941 19673 978 1 5 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.053 0.234 19673 979 1 5 . 1 1 23 23 LEU C C 23 178.486 178.486 177.981 0.505 19673 980 1 5 . 1 1 23 23 LEU CA C 23 58.118 58.118 57.011 1.107 19673 981 1 5 . 1 1 23 23 LEU H H 23 8.604 8.604 7.974 0.630 19673 982 1 5 . 1 1 24 24 VAL N N 24 118.366 118.366 121.832 -3.466 19673 983 1 5 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.850 -0.198 19673 984 1 5 . 1 1 24 24 VAL C C 24 177.109 177.109 178.021 -0.912 19673 985 1 5 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.241 1.750 19673 986 1 5 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.780 -0.988 19673 987 1 5 . 1 1 24 24 VAL H H 24 8.514 8.514 7.676 0.838 19673 988 1 5 . 1 1 25 25 ALA N N 25 121.150 121.150 120.697 0.453 19673 989 1 5 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.794 0.289 19673 990 1 5 . 1 1 25 25 ALA C C 25 178.345 178.345 179.792 -1.447 19673 991 1 5 . 1 1 25 25 ALA CA C 25 55.254 55.254 55.752 -0.498 19673 992 1 5 . 1 1 25 25 ALA CB C 25 17.728 17.728 17.446 0.282 19673 993 1 5 . 1 1 25 25 ALA H H 25 8.864 8.864 8.222 0.642 19673 994 1 5 . 1 1 26 26 TYR N N 26 118.180 118.180 120.713 -2.533 19673 995 1 5 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.229 0.061 19673 996 1 5 . 1 1 26 26 TYR C C 26 176.867 176.867 177.889 -1.022 19673 997 1 5 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.125 0.854 19673 998 1 5 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.726 0.800 19673 999 1 5 . 1 1 26 26 TYR H H 26 8.686 8.686 7.915 0.771 19673 1000 1 5 . 1 1 27 27 ILE N N 27 118.426 118.426 120.614 -2.188 19673 1001 1 5 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.967 -0.372 19673 1002 1 5 . 1 1 27 27 ILE C C 27 177.922 177.922 177.912 0.010 19673 1003 1 5 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.843 -0.103 19673 1004 1 5 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.259 -0.884 19673 1005 1 5 . 1 1 27 27 ILE H H 27 8.537 8.537 8.294 0.243 19673 1006 1 5 . 1 1 28 28 ALA N N 28 121.944 121.944 120.250 1.694 19673 1007 1 5 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.736 0.277 19673 1008 1 5 . 1 1 28 28 ALA C C 28 178.779 178.779 178.832 -0.053 19673 1009 1 5 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.243 0.056 19673 1010 1 5 . 1 1 28 28 ALA CB C 28 17.974 17.974 19.158 -1.184 19673 1011 1 5 . 1 1 28 28 ALA H H 28 8.920 8.920 8.063 0.857 19673 1012 1 5 . 1 1 29 29 PHE N N 29 117.662 117.662 121.085 -3.423 19673 1013 1 5 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.398 -0.051 19673 1014 1 5 . 1 1 29 29 PHE C C 29 177.543 177.543 177.780 -0.237 19673 1015 1 5 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.384 -0.178 19673 1016 1 5 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.134 0.932 19673 1017 1 5 . 1 1 29 29 PHE H H 29 8.868 8.868 8.335 0.533 19673 1018 1 5 . 1 1 30 30 LYS N N 30 118.519 118.519 117.992 0.527 19673 1019 1 5 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.977 0.017 19673 1020 1 5 . 1 1 30 30 LYS C C 30 179.148 179.148 178.853 0.295 19673 1021 1 5 . 1 1 30 30 LYS CA C 30 57.831 57.831 59.700 -1.869 19673 1022 1 5 . 1 1 30 30 LYS CB C 30 31.119 31.119 31.963 -0.845 19673 1023 1 5 . 1 1 30 30 LYS H H 30 8.437 8.437 8.160 0.277 19673 1024 1 5 . 1 1 31 31 ARG N N 31 118.783 118.783 119.497 -0.714 19673 1025 1 5 . 1 1 31 31 ARG HA H 31 4.265 4.265 4.002 0.263 19673 1026 1 5 . 1 1 31 31 ARG C C 31 178.041 178.041 178.219 -0.178 19673 1027 1 5 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.514 -1.891 19673 1028 1 5 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.193 -0.365 19673 1029 1 5 . 1 1 31 31 ARG H H 31 8.311 8.311 7.769 0.542 19673 1030 1 5 . 1 1 32 32 TRP N N 32 121.389 121.389 119.124 2.265 19673 1031 1 5 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.342 0.173 19673 1032 1 5 . 1 1 32 32 TRP C C 32 176.935 176.935 179.341 -2.406 19673 1033 1 5 . 1 1 32 32 TRP CA C 32 59.427 59.427 59.926 -0.499 19673 1034 1 5 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.739 0.164 19673 1035 1 5 . 1 1 32 32 TRP H H 32 8.579 8.579 7.693 0.886 19673 1036 1 5 . 1 1 33 33 ASN N N 33 117.319 117.319 117.174 0.145 19673 1037 1 5 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.744 -0.226 19673 1038 1 5 . 1 1 33 33 ASN C C 33 175.770 175.770 175.860 -0.090 19673 1039 1 5 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.732 -0.613 19673 1040 1 5 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.582 0.405 19673 1041 1 5 . 1 1 33 33 ASN H H 33 8.313 8.313 8.959 -0.646 19673 1042 1 5 . 1 1 34 34 SER N N 34 114.896 114.896 113.490 1.406 19673 1043 1 5 . 1 1 34 34 SER HA H 34 4.481 4.481 4.473 0.008 19673 1044 1 5 . 1 1 34 34 SER C C 34 174.852 174.852 175.054 -0.202 19673 1045 1 5 . 1 1 34 34 SER CA C 34 59.319 59.319 58.822 0.497 19673 1046 1 5 . 1 1 34 34 SER CB C 34 63.433 63.433 64.115 -0.682 19673 1047 1 5 . 1 1 34 34 SER H H 34 7.952 7.952 7.556 0.396 19673 1048 1 5 . 1 1 35 35 SER N N 35 117.172 117.172 112.472 4.700 19673 1049 1 5 . 1 1 35 35 SER HA H 35 4.518 4.518 4.143 0.375 19673 1050 1 5 . 1 1 35 35 SER C C 35 174.485 174.485 174.641 -0.156 19673 1051 1 5 . 1 1 35 35 SER CA C 35 58.833 58.833 59.683 -0.850 19673 1052 1 5 . 1 1 35 35 SER CB C 35 63.445 63.445 61.678 1.767 19673 1053 1 5 . 1 1 35 35 SER H H 35 8.094 8.094 7.815 0.279 19673 1054 1 5 . 1 1 36 36 LYS N N 36 122.146 122.146 120.994 1.152 19673 1055 1 5 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.051 0.323 19673 1056 1 5 . 1 1 36 36 LYS C C 36 176.339 176.339 176.834 -0.495 19673 1057 1 5 . 1 1 36 36 LYS CA C 36 56.197 56.197 59.004 -2.807 19673 1058 1 5 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.976 -0.619 19673 1059 1 5 . 1 1 36 36 LYS H H 36 8.011 8.011 7.713 0.298 19673 1060 1 5 . 1 1 37 37 GLN N N 37 120.055 120.055 118.749 1.306 19673 1061 1 5 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.087 0.331 19673 1062 1 5 . 1 1 37 37 GLN C C 37 175.424 175.424 173.928 1.496 19673 1063 1 5 . 1 1 37 37 GLN CA C 37 55.646 55.646 56.792 -1.146 19673 1064 1 5 . 1 1 37 37 GLN CB C 37 29.129 29.129 27.677 1.452 19673 1065 1 5 . 1 1 37 37 GLN H H 37 8.177 8.177 8.367 -0.190 19673 1066 1 5 . 1 1 38 38 ASN N N 38 119.734 119.734 120.557 -0.823 19673 1067 1 5 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.822 -0.014 19673 1068 1 5 . 1 1 38 38 ASN C C 38 174.550 174.550 174.184 0.366 19673 1069 1 5 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.271 0.769 19673 1070 1 5 . 1 1 38 38 ASN H H 38 8.379 8.379 8.250 0.129 19673 1071 1 5 . 1 1 39 39 LYS N N 39 121.900 121.900 123.721 -1.821 19673 1072 1 5 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.418 0.032 19673 1073 1 5 . 1 1 39 39 LYS CA C 39 56.131 56.131 57.058 -0.927 19673 1074 1 5 . 1 1 39 39 LYS CB C 39 32.775 32.775 32.983 -0.207 19673 1075 1 5 . 1 1 39 39 LYS H H 39 8.220 8.220 8.616 -0.396 19673 1076 1 5 . 1 1 40 40 GLN N N 40 126.738 126.738 123.220 3.518 19673 1077 1 5 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.494 -0.207 19673 1078 1 5 . 1 1 40 40 GLN CA C 40 57.168 57.168 56.393 0.775 19673 1079 1 5 . 1 1 40 40 GLN CB C 40 30.260 30.260 30.266 -0.006 19673 1080 1 5 . 1 1 40 40 GLN H H 40 8.004 8.004 8.579 -0.575 19673 1081 1 6 . 1 1 2 2 ARG N N 2 122.743 122.743 119.706 3.037 19673 1082 1 6 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.584 -0.072 19673 1083 1 6 . 1 1 2 2 ARG C C 2 176.305 176.305 175.538 0.767 19673 1084 1 6 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.177 0.950 19673 1085 1 6 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.393 -0.677 19673 1086 1 6 . 1 1 2 2 ARG H H 2 8.481 8.481 7.880 0.601 19673 1087 1 6 . 1 1 3 3 GLY N N 3 109.588 109.588 108.275 1.313 19673 1088 1 6 . 1 1 3 3 GLY C C 3 174.092 174.092 175.086 -0.994 19673 1089 1 6 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.597 -0.428 19673 1090 1 6 . 1 1 3 3 GLY H H 3 8.576 8.576 8.400 0.176 19673 1091 1 6 . 1 1 4 4 THR N N 4 113.251 113.251 114.144 -0.893 19673 1092 1 6 . 1 1 4 4 THR HA H 4 4.544 4.544 4.237 0.307 19673 1093 1 6 . 1 1 4 4 THR C C 4 174.864 174.864 174.362 0.502 19673 1094 1 6 . 1 1 4 4 THR CA C 4 61.955 61.955 61.958 -0.002 19673 1095 1 6 . 1 1 4 4 THR H H 4 8.155 8.155 8.219 -0.064 19673 1096 1 6 . 1 1 5 5 THR N N 5 114.461 114.461 114.387 0.074 19673 1097 1 6 . 1 1 5 5 THR HA H 5 4.454 4.454 4.145 0.309 19673 1098 1 6 . 1 1 5 5 THR C C 5 174.181 174.181 175.083 -0.902 19673 1099 1 6 . 1 1 5 5 THR CA C 5 62.062 62.062 63.631 -1.569 19673 1100 1 6 . 1 1 5 5 THR CB C 5 69.306 69.306 69.273 0.033 19673 1101 1 6 . 1 1 5 5 THR H H 5 8.243 8.243 7.979 0.264 19673 1102 1 6 . 1 1 6 6 ASP N N 6 121.828 121.828 123.968 -2.140 19673 1103 1 6 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.506 0.172 19673 1104 1 6 . 1 1 6 6 ASP C C 6 175.797 175.797 175.777 0.020 19673 1105 1 6 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.382 0.431 19673 1106 1 6 . 1 1 6 6 ASP CB C 6 41.012 41.012 40.758 0.255 19673 1107 1 6 . 1 1 6 6 ASP H H 6 8.325 8.325 7.831 0.494 19673 1108 1 6 . 1 1 7 7 ASN N N 7 117.808 117.808 123.990 -6.182 19673 1109 1 6 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.722 0.106 19673 1110 1 6 . 1 1 7 7 ASN C C 7 174.864 174.864 175.626 -0.762 19673 1111 1 6 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.288 -0.162 19673 1112 1 6 . 1 1 7 7 ASN CB C 7 38.696 38.696 40.416 -1.720 19673 1113 1 6 . 1 1 7 7 ASN H H 7 8.267 8.267 8.394 -0.127 19673 1114 1 6 . 1 1 8 8 LEU N N 8 121.126 121.126 120.397 0.729 19673 1115 1 6 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.982 0.348 19673 1116 1 6 . 1 1 8 8 LEU CA C 8 55.819 55.819 56.255 -0.436 19673 1117 1 6 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.957 0.447 19673 1118 1 6 . 1 1 8 8 LEU H H 8 8.452 8.452 8.524 -0.072 19673 1119 1 6 . 1 1 9 9 ILE N N 9 119.437 119.437 117.051 2.386 19673 1120 1 6 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.152 0.034 19673 1121 1 6 . 1 1 9 9 ILE CA C 9 62.841 62.841 61.742 1.099 19673 1122 1 6 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.175 -2.409 19673 1123 1 6 . 1 1 9 9 ILE H H 9 8.250 8.250 7.655 0.595 19673 1124 1 6 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.000 0.380 19673 1125 1 6 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.209 -3.263 19673 1126 1 6 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.163 1.428 19673 1127 1 6 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.995 -0.159 19673 1128 1 6 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.053 1.937 19673 1129 1 6 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.085 0.051 19673 1130 1 6 . 1 1 12 12 TYR N N 12 117.971 117.971 119.844 -1.873 19673 1131 1 6 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.119 0.311 19673 1132 1 6 . 1 1 12 12 TYR CA C 12 59.774 59.774 60.925 -1.151 19673 1133 1 6 . 1 1 12 12 TYR CB C 12 37.035 37.035 37.829 -0.794 19673 1134 1 6 . 1 1 12 12 TYR H H 12 8.341 8.341 7.943 0.398 19673 1135 1 6 . 1 1 13 13 CYS N N 13 115.494 115.494 117.427 -1.933 19673 1136 1 6 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.227 0.134 19673 1137 1 6 . 1 1 13 13 CYS C C 13 175.298 175.298 177.345 -2.047 19673 1138 1 6 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.215 -3.130 19673 1139 1 6 . 1 1 13 13 CYS CB C 13 41.529 41.529 25.436 16.093 19673 1140 1 6 . 1 1 13 13 CYS H H 13 8.681 8.681 7.111 1.570 19673 1141 1 6 . 1 1 14 14 SER N N 14 116.691 116.691 115.474 1.217 19673 1142 1 6 . 1 1 14 14 SER HA H 14 4.200 4.200 4.179 0.021 19673 1143 1 6 . 1 1 14 14 SER C C 14 174.951 174.951 176.913 -1.962 19673 1144 1 6 . 1 1 14 14 SER CA C 14 62.671 62.671 61.304 1.367 19673 1145 1 6 . 1 1 14 14 SER CB C 14 62.565 62.565 61.101 1.464 19673 1146 1 6 . 1 1 14 14 SER H H 14 7.923 7.923 8.173 -0.250 19673 1147 1 6 . 1 1 15 15 ILE N N 15 120.993 120.993 121.312 -0.319 19673 1148 1 6 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.917 -0.152 19673 1149 1 6 . 1 1 15 15 ILE C C 15 176.935 176.935 178.148 -1.213 19673 1150 1 6 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.067 0.049 19673 1151 1 6 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.889 -0.527 19673 1152 1 6 . 1 1 15 15 ILE H H 15 7.930 7.930 7.775 0.155 19673 1153 1 6 . 1 1 16 16 LEU N N 16 118.319 118.319 123.244 -4.925 19673 1154 1 6 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.919 0.143 19673 1155 1 6 . 1 1 16 16 LEU C C 16 177.684 177.684 178.424 -0.740 19673 1156 1 6 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.509 -0.557 19673 1157 1 6 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.122 -0.570 19673 1158 1 6 . 1 1 16 16 LEU H H 16 8.037 8.037 8.305 -0.268 19673 1159 1 6 . 1 1 17 17 ALA N N 17 118.970 118.970 122.633 -3.663 19673 1160 1 6 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.915 0.100 19673 1161 1 6 . 1 1 17 17 ALA C C 17 177.814 177.814 178.804 -0.990 19673 1162 1 6 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.814 -0.515 19673 1163 1 6 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.752 -1.126 19673 1164 1 6 . 1 1 17 17 ALA H H 17 8.260 8.260 8.271 -0.011 19673 1165 1 6 . 1 1 18 18 ALA N N 18 118.854 118.854 121.294 -2.440 19673 1166 1 6 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.814 0.180 19673 1167 1 6 . 1 1 18 18 ALA C C 18 178.578 178.578 178.889 -0.311 19673 1168 1 6 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.231 0.068 19673 1169 1 6 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.973 -0.311 19673 1170 1 6 . 1 1 18 18 ALA H H 18 8.027 8.027 7.756 0.271 19673 1171 1 6 . 1 1 19 19 VAL N N 19 116.253 116.253 118.138 -1.885 19673 1172 1 6 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.736 -0.090 19673 1173 1 6 . 1 1 19 19 VAL C C 19 176.935 176.935 178.091 -1.156 19673 1174 1 6 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.447 1.057 19673 1175 1 6 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.934 0.085 19673 1176 1 6 . 1 1 19 19 VAL H H 19 8.259 8.259 7.758 0.501 19673 1177 1 6 . 1 1 20 20 VAL N N 20 118.427 118.427 119.034 -0.607 19673 1178 1 6 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.525 0.114 19673 1179 1 6 . 1 1 20 20 VAL C C 20 177.044 177.044 178.257 -1.213 19673 1180 1 6 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.747 0.755 19673 1181 1 6 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.507 -0.606 19673 1182 1 6 . 1 1 20 20 VAL H H 20 8.206 8.206 7.700 0.506 19673 1183 1 6 . 1 1 21 21 VAL N N 21 118.319 118.319 119.451 -1.132 19673 1184 1 6 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.652 -0.076 19673 1185 1 6 . 1 1 21 21 VAL C C 21 177.239 177.239 178.464 -1.225 19673 1186 1 6 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.218 0.889 19673 1187 1 6 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.374 0.324 19673 1188 1 6 . 1 1 21 21 VAL H H 21 8.511 8.511 7.818 0.693 19673 1189 1 6 . 1 1 22 22 GLY N N 22 106.678 106.678 109.359 -2.681 19673 1190 1 6 . 1 1 22 22 GLY C C 22 174.192 174.192 177.283 -3.091 19673 1191 1 6 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.095 -1.766 19673 1192 1 6 . 1 1 22 22 GLY H H 22 8.665 8.665 8.890 -0.225 19673 1193 1 6 . 1 1 23 23 LEU N N 23 121.389 121.389 119.508 1.881 19673 1194 1 6 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.057 0.230 19673 1195 1 6 . 1 1 23 23 LEU C C 23 178.486 178.486 178.357 0.129 19673 1196 1 6 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.924 1.194 19673 1197 1 6 . 1 1 23 23 LEU H H 23 8.604 8.604 8.141 0.463 19673 1198 1 6 . 1 1 24 24 VAL N N 24 118.366 118.366 121.695 -3.329 19673 1199 1 6 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.891 -0.239 19673 1200 1 6 . 1 1 24 24 VAL C C 24 177.109 177.109 178.124 -1.015 19673 1201 1 6 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.624 1.367 19673 1202 1 6 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.450 -0.658 19673 1203 1 6 . 1 1 24 24 VAL H H 24 8.514 8.514 8.311 0.203 19673 1204 1 6 . 1 1 25 25 ALA N N 25 121.150 121.150 121.682 -0.532 19673 1205 1 6 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.866 0.217 19673 1206 1 6 . 1 1 25 25 ALA C C 25 178.345 178.345 179.805 -1.460 19673 1207 1 6 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.184 -0.930 19673 1208 1 6 . 1 1 25 25 ALA CB C 25 17.728 17.728 17.901 -0.173 19673 1209 1 6 . 1 1 25 25 ALA H H 25 8.864 8.864 8.406 0.458 19673 1210 1 6 . 1 1 26 26 TYR N N 26 118.180 118.180 120.185 -2.005 19673 1211 1 6 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.434 -0.144 19673 1212 1 6 . 1 1 26 26 TYR C C 26 176.867 176.867 178.217 -1.350 19673 1213 1 6 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.151 0.828 19673 1214 1 6 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.672 0.854 19673 1215 1 6 . 1 1 26 26 TYR H H 26 8.686 8.686 8.427 0.259 19673 1216 1 6 . 1 1 27 27 ILE N N 27 118.426 118.426 120.802 -2.376 19673 1217 1 6 . 1 1 27 27 ILE HA H 27 3.595 3.595 4.025 -0.430 19673 1218 1 6 . 1 1 27 27 ILE C C 27 177.922 177.922 178.033 -0.111 19673 1219 1 6 . 1 1 27 27 ILE CA C 27 64.740 64.740 63.856 0.884 19673 1220 1 6 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.507 -1.132 19673 1221 1 6 . 1 1 27 27 ILE H H 27 8.537 8.537 8.025 0.512 19673 1222 1 6 . 1 1 28 28 ALA N N 28 121.944 121.944 121.552 0.392 19673 1223 1 6 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.706 0.307 19673 1224 1 6 . 1 1 28 28 ALA C C 28 178.779 178.779 179.080 -0.301 19673 1225 1 6 . 1 1 28 28 ALA CA C 28 55.299 55.299 53.914 1.385 19673 1226 1 6 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.503 -0.528 19673 1227 1 6 . 1 1 28 28 ALA H H 28 8.920 8.920 7.963 0.957 19673 1228 1 6 . 1 1 29 29 PHE N N 29 117.662 117.662 120.711 -3.049 19673 1229 1 6 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.329 0.018 19673 1230 1 6 . 1 1 29 29 PHE C C 29 177.543 177.543 177.521 0.022 19673 1231 1 6 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.196 0.010 19673 1232 1 6 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.252 0.814 19673 1233 1 6 . 1 1 29 29 PHE H H 29 8.868 8.868 8.583 0.285 19673 1234 1 6 . 1 1 30 30 LYS N N 30 118.519 118.519 119.683 -1.164 19673 1235 1 6 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.170 -0.176 19673 1236 1 6 . 1 1 30 30 LYS C C 30 179.148 179.148 178.126 1.022 19673 1237 1 6 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.185 -0.354 19673 1238 1 6 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.597 -1.478 19673 1239 1 6 . 1 1 30 30 LYS H H 30 8.437 8.437 7.947 0.490 19673 1240 1 6 . 1 1 31 31 ARG N N 31 118.783 118.783 118.785 -0.002 19673 1241 1 6 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.643 0.622 19673 1242 1 6 . 1 1 31 31 ARG C C 31 178.041 178.041 178.717 -0.676 19673 1243 1 6 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.183 -1.560 19673 1244 1 6 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.054 -0.226 19673 1245 1 6 . 1 1 31 31 ARG H H 31 8.311 8.311 7.582 0.729 19673 1246 1 6 . 1 1 32 32 TRP N N 32 121.389 121.389 119.264 2.125 19673 1247 1 6 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.262 0.253 19673 1248 1 6 . 1 1 32 32 TRP C C 32 176.935 176.935 178.467 -1.532 19673 1249 1 6 . 1 1 32 32 TRP CA C 32 59.427 59.427 59.775 -0.348 19673 1250 1 6 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.390 0.513 19673 1251 1 6 . 1 1 32 32 TRP H H 32 8.579 8.579 7.370 1.209 19673 1252 1 6 . 1 1 33 33 ASN N N 33 117.319 117.319 116.148 1.171 19673 1253 1 6 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.647 -0.129 19673 1254 1 6 . 1 1 33 33 ASN C C 33 175.770 175.770 176.620 -0.850 19673 1255 1 6 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.607 0.512 19673 1256 1 6 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.548 0.439 19673 1257 1 6 . 1 1 33 33 ASN H H 33 8.313 8.313 7.937 0.376 19673 1258 1 6 . 1 1 34 34 SER N N 34 114.896 114.896 113.693 1.203 19673 1259 1 6 . 1 1 34 34 SER HA H 34 4.481 4.481 4.378 0.103 19673 1260 1 6 . 1 1 34 34 SER C C 34 174.852 174.852 174.678 0.174 19673 1261 1 6 . 1 1 34 34 SER CA C 34 59.319 59.319 58.695 0.624 19673 1262 1 6 . 1 1 34 34 SER CB C 34 63.433 63.433 63.247 0.186 19673 1263 1 6 . 1 1 34 34 SER H H 34 7.952 7.952 7.611 0.341 19673 1264 1 6 . 1 1 35 35 SER N N 35 117.172 117.172 111.616 5.556 19673 1265 1 6 . 1 1 35 35 SER HA H 35 4.518 4.518 4.073 0.445 19673 1266 1 6 . 1 1 35 35 SER C C 35 174.485 174.485 173.574 0.911 19673 1267 1 6 . 1 1 35 35 SER CA C 35 58.833 58.833 59.856 -1.024 19673 1268 1 6 . 1 1 35 35 SER CB C 35 63.445 63.445 61.804 1.641 19673 1269 1 6 . 1 1 35 35 SER H H 35 8.094 8.094 7.465 0.629 19673 1270 1 6 . 1 1 36 36 LYS N N 36 122.146 122.146 122.009 0.137 19673 1271 1 6 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.035 0.339 19673 1272 1 6 . 1 1 36 36 LYS C C 36 176.339 176.339 176.492 -0.153 19673 1273 1 6 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.805 -1.608 19673 1274 1 6 . 1 1 36 36 LYS CB C 36 32.357 32.357 31.833 0.524 19673 1275 1 6 . 1 1 36 36 LYS H H 36 8.011 8.011 7.803 0.208 19673 1276 1 6 . 1 1 37 37 GLN N N 37 120.055 120.055 123.074 -3.019 19673 1277 1 6 . 1 1 37 37 GLN HA H 37 4.418 4.418 3.955 0.463 19673 1278 1 6 . 1 1 37 37 GLN C C 37 175.424 175.424 173.728 1.696 19673 1279 1 6 . 1 1 37 37 GLN CA C 37 55.646 55.646 57.343 -1.697 19673 1280 1 6 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.736 0.393 19673 1281 1 6 . 1 1 37 37 GLN H H 37 8.177 8.177 8.359 -0.182 19673 1282 1 6 . 1 1 38 38 ASN N N 38 119.734 119.734 117.229 2.505 19673 1283 1 6 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.796 0.012 19673 1284 1 6 . 1 1 38 38 ASN C C 38 174.550 174.550 173.665 0.885 19673 1285 1 6 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.738 0.302 19673 1286 1 6 . 1 1 38 38 ASN H H 38 8.379 8.379 8.225 0.154 19673 1287 1 6 . 1 1 39 39 LYS N N 39 121.900 121.900 119.369 2.531 19673 1288 1 6 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.313 0.137 19673 1289 1 6 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.557 -0.426 19673 1290 1 6 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.150 -0.375 19673 1291 1 6 . 1 1 39 39 LYS H H 39 8.220 8.220 8.658 -0.438 19673 1292 1 6 . 1 1 40 40 GLN N N 40 126.738 126.738 118.403 8.335 19673 1293 1 6 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.001 0.286 19673 1294 1 6 . 1 1 40 40 GLN CA C 40 57.168 57.168 57.015 0.153 19673 1295 1 6 . 1 1 40 40 GLN CB C 40 30.260 30.260 28.285 1.974 19673 1296 1 6 . 1 1 40 40 GLN H H 40 8.004 8.004 8.016 -0.012 19673 1297 1 7 . 1 1 2 2 ARG N N 2 122.743 122.743 120.713 2.030 19673 1298 1 7 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.624 -0.112 19673 1299 1 7 . 1 1 2 2 ARG C C 2 176.305 176.305 175.101 1.204 19673 1300 1 7 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.710 0.417 19673 1301 1 7 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.443 -0.727 19673 1302 1 7 . 1 1 2 2 ARG H H 2 8.481 8.481 8.245 0.236 19673 1303 1 7 . 1 1 3 3 GLY N N 3 109.588 109.588 112.242 -2.654 19673 1304 1 7 . 1 1 3 3 GLY C C 3 174.092 174.092 175.411 -1.319 19673 1305 1 7 . 1 1 3 3 GLY CA C 3 45.169 45.169 43.954 1.215 19673 1306 1 7 . 1 1 3 3 GLY H H 3 8.576 8.576 8.351 0.225 19673 1307 1 7 . 1 1 4 4 THR N N 4 113.251 113.251 114.395 -1.144 19673 1308 1 7 . 1 1 4 4 THR HA H 4 4.544 4.544 4.190 0.354 19673 1309 1 7 . 1 1 4 4 THR C C 4 174.864 174.864 173.480 1.384 19673 1310 1 7 . 1 1 4 4 THR CA C 4 61.955 61.955 61.806 0.149 19673 1311 1 7 . 1 1 4 4 THR H H 4 8.155 8.155 8.421 -0.266 19673 1312 1 7 . 1 1 5 5 THR N N 5 114.461 114.461 114.877 -0.416 19673 1313 1 7 . 1 1 5 5 THR HA H 5 4.454 4.454 4.078 0.376 19673 1314 1 7 . 1 1 5 5 THR C C 5 174.181 174.181 174.587 -0.406 19673 1315 1 7 . 1 1 5 5 THR CA C 5 62.062 62.062 62.185 -0.123 19673 1316 1 7 . 1 1 5 5 THR CB C 5 69.306 69.306 68.092 1.214 19673 1317 1 7 . 1 1 5 5 THR H H 5 8.243 8.243 8.331 -0.088 19673 1318 1 7 . 1 1 6 6 ASP N N 6 121.828 121.828 119.405 2.423 19673 1319 1 7 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.459 0.219 19673 1320 1 7 . 1 1 6 6 ASP C C 6 175.797 175.797 176.404 -0.607 19673 1321 1 7 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.206 0.607 19673 1322 1 7 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.739 -0.727 19673 1323 1 7 . 1 1 6 6 ASP H H 6 8.325 8.325 7.834 0.491 19673 1324 1 7 . 1 1 7 7 ASN N N 7 117.808 117.808 119.939 -2.131 19673 1325 1 7 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.513 0.315 19673 1326 1 7 . 1 1 7 7 ASN C C 7 174.864 174.864 174.195 0.669 19673 1327 1 7 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.941 -0.814 19673 1328 1 7 . 1 1 7 7 ASN CB C 7 38.696 38.696 38.008 0.688 19673 1329 1 7 . 1 1 7 7 ASN H H 7 8.267 8.267 8.504 -0.237 19673 1330 1 7 . 1 1 8 8 LEU N N 8 121.126 121.126 120.061 1.065 19673 1331 1 7 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.955 0.375 19673 1332 1 7 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.683 0.136 19673 1333 1 7 . 1 1 8 8 LEU CB C 8 42.404 42.404 42.074 0.330 19673 1334 1 7 . 1 1 8 8 LEU H H 8 8.452 8.452 8.555 -0.103 19673 1335 1 7 . 1 1 9 9 ILE N N 9 119.437 119.437 117.015 2.422 19673 1336 1 7 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.273 -0.087 19673 1337 1 7 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.355 0.486 19673 1338 1 7 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.863 -3.096 19673 1339 1 7 . 1 1 9 9 ILE H H 9 8.250 8.250 7.610 0.640 19673 1340 1 7 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.067 0.313 19673 1341 1 7 . 1 1 10 10 PRO CA C 10 64.946 64.946 69.306 -4.360 19673 1342 1 7 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.534 2.057 19673 1343 1 7 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.976 -0.140 19673 1344 1 7 . 1 1 11 11 VAL CA C 11 65.990 65.990 65.229 0.761 19673 1345 1 7 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.136 0.000 19673 1346 1 7 . 1 1 12 12 TYR N N 12 117.971 117.971 118.280 -0.309 19673 1347 1 7 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.127 0.303 19673 1348 1 7 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.856 -2.082 19673 1349 1 7 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.434 -1.399 19673 1350 1 7 . 1 1 12 12 TYR H H 12 8.341 8.341 8.182 0.159 19673 1351 1 7 . 1 1 13 13 CYS N N 13 115.494 115.494 118.095 -2.601 19673 1352 1 7 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.138 0.223 19673 1353 1 7 . 1 1 13 13 CYS C C 13 175.298 175.298 176.975 -1.677 19673 1354 1 7 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.712 -3.627 19673 1355 1 7 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.802 14.727 19673 1356 1 7 . 1 1 13 13 CYS H H 13 8.681 8.681 7.640 1.041 19673 1357 1 7 . 1 1 14 14 SER N N 14 116.691 116.691 114.734 1.957 19673 1358 1 7 . 1 1 14 14 SER HA H 14 4.200 4.200 4.161 0.039 19673 1359 1 7 . 1 1 14 14 SER C C 14 174.951 174.951 177.002 -2.051 19673 1360 1 7 . 1 1 14 14 SER CA C 14 62.671 62.671 61.629 1.042 19673 1361 1 7 . 1 1 14 14 SER CB C 14 62.565 62.565 60.957 1.608 19673 1362 1 7 . 1 1 14 14 SER H H 14 7.923 7.923 8.235 -0.312 19673 1363 1 7 . 1 1 15 15 ILE N N 15 120.993 120.993 121.738 -0.745 19673 1364 1 7 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.984 -0.219 19673 1365 1 7 . 1 1 15 15 ILE C C 15 176.935 176.935 177.760 -0.825 19673 1366 1 7 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.664 -0.548 19673 1367 1 7 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.972 -0.610 19673 1368 1 7 . 1 1 15 15 ILE H H 15 7.930 7.930 7.787 0.143 19673 1369 1 7 . 1 1 16 16 LEU N N 16 118.319 118.319 122.943 -4.624 19673 1370 1 7 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.864 0.198 19673 1371 1 7 . 1 1 16 16 LEU C C 16 177.684 177.684 178.154 -0.470 19673 1372 1 7 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.688 -0.736 19673 1373 1 7 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.030 -0.478 19673 1374 1 7 . 1 1 16 16 LEU H H 16 8.037 8.037 8.327 -0.290 19673 1375 1 7 . 1 1 17 17 ALA N N 17 118.970 118.970 122.578 -3.608 19673 1376 1 7 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.893 0.122 19673 1377 1 7 . 1 1 17 17 ALA C C 17 177.814 177.814 178.791 -0.977 19673 1378 1 7 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.616 -0.317 19673 1379 1 7 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.777 -1.151 19673 1380 1 7 . 1 1 17 17 ALA H H 17 8.260 8.260 8.249 0.011 19673 1381 1 7 . 1 1 18 18 ALA N N 18 118.854 118.854 120.925 -2.071 19673 1382 1 7 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.816 0.178 19673 1383 1 7 . 1 1 18 18 ALA C C 18 178.578 178.578 179.378 -0.800 19673 1384 1 7 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.193 0.106 19673 1385 1 7 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.776 -0.114 19673 1386 1 7 . 1 1 18 18 ALA H H 18 8.027 8.027 7.822 0.205 19673 1387 1 7 . 1 1 19 19 VAL N N 19 116.253 116.253 118.284 -2.031 19673 1388 1 7 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.769 -0.123 19673 1389 1 7 . 1 1 19 19 VAL C C 19 176.935 176.935 178.009 -1.074 19673 1390 1 7 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.368 1.137 19673 1391 1 7 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.984 0.035 19673 1392 1 7 . 1 1 19 19 VAL H H 19 8.259 8.259 7.717 0.542 19673 1393 1 7 . 1 1 20 20 VAL N N 20 118.427 118.427 118.637 -0.210 19673 1394 1 7 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.539 0.100 19673 1395 1 7 . 1 1 20 20 VAL C C 20 177.044 177.044 178.379 -1.335 19673 1396 1 7 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.458 1.044 19673 1397 1 7 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.481 -0.580 19673 1398 1 7 . 1 1 20 20 VAL H H 20 8.206 8.206 7.661 0.545 19673 1399 1 7 . 1 1 21 21 VAL N N 21 118.319 118.319 119.592 -1.273 19673 1400 1 7 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.702 -0.126 19673 1401 1 7 . 1 1 21 21 VAL C C 21 177.239 177.239 178.000 -0.761 19673 1402 1 7 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.100 1.007 19673 1403 1 7 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.739 -0.041 19673 1404 1 7 . 1 1 21 21 VAL H H 21 8.511 8.511 7.874 0.637 19673 1405 1 7 . 1 1 22 22 GLY N N 22 106.678 106.678 109.117 -2.439 19673 1406 1 7 . 1 1 22 22 GLY C C 22 174.192 174.192 177.164 -2.972 19673 1407 1 7 . 1 1 22 22 GLY CA C 22 47.329 47.329 50.145 -2.816 19673 1408 1 7 . 1 1 22 22 GLY H H 22 8.665 8.665 8.725 -0.060 19673 1409 1 7 . 1 1 23 23 LEU N N 23 121.389 121.389 119.337 2.052 19673 1410 1 7 . 1 1 23 23 LEU HA H 23 4.287 4.287 3.985 0.302 19673 1411 1 7 . 1 1 23 23 LEU C C 23 178.486 178.486 178.132 0.354 19673 1412 1 7 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.915 1.203 19673 1413 1 7 . 1 1 23 23 LEU H H 23 8.604 8.604 7.966 0.638 19673 1414 1 7 . 1 1 24 24 VAL N N 24 118.366 118.366 121.625 -3.259 19673 1415 1 7 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.656 -0.004 19673 1416 1 7 . 1 1 24 24 VAL C C 24 177.109 177.109 178.306 -1.197 19673 1417 1 7 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.138 1.853 19673 1418 1 7 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.616 -0.824 19673 1419 1 7 . 1 1 24 24 VAL H H 24 8.514 8.514 7.660 0.854 19673 1420 1 7 . 1 1 25 25 ALA N N 25 121.150 121.150 121.138 0.012 19673 1421 1 7 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.805 0.278 19673 1422 1 7 . 1 1 25 25 ALA C C 25 178.345 178.345 179.347 -1.002 19673 1423 1 7 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.440 -1.186 19673 1424 1 7 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.147 -0.419 19673 1425 1 7 . 1 1 25 25 ALA H H 25 8.864 8.864 8.301 0.563 19673 1426 1 7 . 1 1 26 26 TYR N N 26 118.180 118.180 120.151 -1.971 19673 1427 1 7 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.372 -0.082 19673 1428 1 7 . 1 1 26 26 TYR C C 26 176.867 176.867 177.973 -1.106 19673 1429 1 7 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.998 0.981 19673 1430 1 7 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.618 0.908 19673 1431 1 7 . 1 1 26 26 TYR H H 26 8.686 8.686 8.001 0.685 19673 1432 1 7 . 1 1 27 27 ILE N N 27 118.426 118.426 120.258 -1.832 19673 1433 1 7 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.896 -0.301 19673 1434 1 7 . 1 1 27 27 ILE C C 27 177.922 177.922 177.900 0.022 19673 1435 1 7 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.540 0.200 19673 1436 1 7 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.406 -1.031 19673 1437 1 7 . 1 1 27 27 ILE H H 27 8.537 8.537 8.078 0.459 19673 1438 1 7 . 1 1 28 28 ALA N N 28 121.944 121.944 121.936 0.008 19673 1439 1 7 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.757 0.256 19673 1440 1 7 . 1 1 28 28 ALA C C 28 178.779 178.779 178.899 -0.120 19673 1441 1 7 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.218 0.081 19673 1442 1 7 . 1 1 28 28 ALA CB C 28 17.974 17.974 19.026 -1.052 19673 1443 1 7 . 1 1 28 28 ALA H H 28 8.920 8.920 8.050 0.870 19673 1444 1 7 . 1 1 29 29 PHE N N 29 117.662 117.662 120.069 -2.407 19673 1445 1 7 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.176 0.171 19673 1446 1 7 . 1 1 29 29 PHE C C 29 177.543 177.543 177.526 0.017 19673 1447 1 7 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.203 0.003 19673 1448 1 7 . 1 1 29 29 PHE CB C 29 39.066 39.066 37.904 1.162 19673 1449 1 7 . 1 1 29 29 PHE H H 29 8.868 8.868 8.301 0.567 19673 1450 1 7 . 1 1 30 30 LYS N N 30 118.519 118.519 118.905 -0.386 19673 1451 1 7 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.795 0.199 19673 1452 1 7 . 1 1 30 30 LYS C C 30 179.148 179.148 178.892 0.256 19673 1453 1 7 . 1 1 30 30 LYS CA C 30 57.831 57.831 59.863 -2.032 19673 1454 1 7 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.533 -1.414 19673 1455 1 7 . 1 1 30 30 LYS H H 30 8.437 8.437 7.668 0.769 19673 1456 1 7 . 1 1 31 31 ARG N N 31 118.783 118.783 119.307 -0.524 19673 1457 1 7 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.881 0.384 19673 1458 1 7 . 1 1 31 31 ARG C C 31 178.041 178.041 178.432 -0.391 19673 1459 1 7 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.318 -1.695 19673 1460 1 7 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.837 -0.009 19673 1461 1 7 . 1 1 31 31 ARG H H 31 8.311 8.311 7.718 0.593 19673 1462 1 7 . 1 1 32 32 TRP N N 32 121.389 121.389 119.560 1.829 19673 1463 1 7 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.405 0.110 19673 1464 1 7 . 1 1 32 32 TRP C C 32 176.935 176.935 178.580 -1.645 19673 1465 1 7 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.708 -1.281 19673 1466 1 7 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.570 -0.667 19673 1467 1 7 . 1 1 32 32 TRP H H 32 8.579 8.579 8.095 0.484 19673 1468 1 7 . 1 1 33 33 ASN N N 33 117.319 117.319 113.848 3.471 19673 1469 1 7 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.563 -0.045 19673 1470 1 7 . 1 1 33 33 ASN C C 33 175.770 175.770 175.439 0.331 19673 1471 1 7 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.037 0.082 19673 1472 1 7 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.648 0.339 19673 1473 1 7 . 1 1 33 33 ASN H H 33 8.313 8.313 8.219 0.094 19673 1474 1 7 . 1 1 34 34 SER N N 34 114.896 114.896 112.970 1.926 19673 1475 1 7 . 1 1 34 34 SER HA H 34 4.481 4.481 4.295 0.186 19673 1476 1 7 . 1 1 34 34 SER C C 34 174.852 174.852 175.966 -1.114 19673 1477 1 7 . 1 1 34 34 SER CA C 34 59.319 59.319 59.992 -0.673 19673 1478 1 7 . 1 1 34 34 SER CB C 34 63.433 63.433 64.529 -1.096 19673 1479 1 7 . 1 1 34 34 SER H H 34 7.952 7.952 7.598 0.354 19673 1480 1 7 . 1 1 35 35 SER N N 35 117.172 117.172 114.601 2.571 19673 1481 1 7 . 1 1 35 35 SER HA H 35 4.518 4.518 4.281 0.237 19673 1482 1 7 . 1 1 35 35 SER C C 35 174.485 174.485 174.476 0.009 19673 1483 1 7 . 1 1 35 35 SER CA C 35 58.833 58.833 60.677 -1.844 19673 1484 1 7 . 1 1 35 35 SER CB C 35 63.445 63.445 63.680 -0.235 19673 1485 1 7 . 1 1 35 35 SER H H 35 8.094 8.094 8.145 -0.051 19673 1486 1 7 . 1 1 36 36 LYS N N 36 122.146 122.146 121.984 0.162 19673 1487 1 7 . 1 1 36 36 LYS HA H 36 4.374 4.374 3.968 0.406 19673 1488 1 7 . 1 1 36 36 LYS C C 36 176.339 176.339 175.507 0.832 19673 1489 1 7 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.914 -1.718 19673 1490 1 7 . 1 1 36 36 LYS CB C 36 32.357 32.357 31.802 0.555 19673 1491 1 7 . 1 1 36 36 LYS H H 36 8.011 8.011 7.578 0.433 19673 1492 1 7 . 1 1 37 37 GLN N N 37 120.055 120.055 123.528 -3.473 19673 1493 1 7 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.466 -0.048 19673 1494 1 7 . 1 1 37 37 GLN C C 37 175.424 175.424 175.124 0.300 19673 1495 1 7 . 1 1 37 37 GLN CA C 37 55.646 55.646 54.974 0.672 19673 1496 1 7 . 1 1 37 37 GLN CB C 37 29.129 29.129 30.223 -1.094 19673 1497 1 7 . 1 1 37 37 GLN H H 37 8.177 8.177 8.152 0.025 19673 1498 1 7 . 1 1 38 38 ASN N N 38 119.734 119.734 119.669 0.065 19673 1499 1 7 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.320 0.488 19673 1500 1 7 . 1 1 38 38 ASN C C 38 174.550 174.550 173.352 1.198 19673 1501 1 7 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.891 -0.851 19673 1502 1 7 . 1 1 38 38 ASN H H 38 8.379 8.379 8.820 -0.441 19673 1503 1 7 . 1 1 39 39 LYS N N 39 121.900 121.900 121.694 0.206 19673 1504 1 7 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.389 0.061 19673 1505 1 7 . 1 1 39 39 LYS CA C 39 56.131 56.131 55.816 0.315 19673 1506 1 7 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.892 -1.117 19673 1507 1 7 . 1 1 39 39 LYS H H 39 8.220 8.220 8.106 0.114 19673 1508 1 7 . 1 1 40 40 GLN N N 40 126.738 126.738 120.322 6.416 19673 1509 1 7 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.309 -0.022 19673 1510 1 7 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.886 1.282 19673 1511 1 7 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.135 1.125 19673 1512 1 7 . 1 1 40 40 GLN H H 40 8.004 8.004 8.107 -0.103 19673 1513 1 8 . 1 1 2 2 ARG N N 2 122.743 122.743 119.566 3.177 19673 1514 1 8 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.816 -0.304 19673 1515 1 8 . 1 1 2 2 ARG C C 2 176.305 176.305 175.389 0.916 19673 1516 1 8 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.506 0.621 19673 1517 1 8 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.437 -0.721 19673 1518 1 8 . 1 1 2 2 ARG H H 2 8.481 8.481 8.131 0.350 19673 1519 1 8 . 1 1 3 3 GLY N N 3 109.588 109.588 111.870 -2.282 19673 1520 1 8 . 1 1 3 3 GLY C C 3 174.092 174.092 174.394 -0.302 19673 1521 1 8 . 1 1 3 3 GLY CA C 3 45.169 45.169 44.109 1.060 19673 1522 1 8 . 1 1 3 3 GLY H H 3 8.576 8.576 8.604 -0.028 19673 1523 1 8 . 1 1 4 4 THR N N 4 113.251 113.251 114.272 -1.021 19673 1524 1 8 . 1 1 4 4 THR HA H 4 4.544 4.544 4.284 0.260 19673 1525 1 8 . 1 1 4 4 THR C C 4 174.864 174.864 174.274 0.590 19673 1526 1 8 . 1 1 4 4 THR CA C 4 61.955 61.955 61.675 0.280 19673 1527 1 8 . 1 1 4 4 THR H H 4 8.155 8.155 8.141 0.014 19673 1528 1 8 . 1 1 5 5 THR N N 5 114.461 114.461 114.760 -0.299 19673 1529 1 8 . 1 1 5 5 THR HA H 5 4.454 4.454 4.103 0.351 19673 1530 1 8 . 1 1 5 5 THR C C 5 174.181 174.181 173.972 0.209 19673 1531 1 8 . 1 1 5 5 THR CA C 5 62.062 62.062 62.299 -0.237 19673 1532 1 8 . 1 1 5 5 THR CB C 5 69.306 69.306 69.618 -0.312 19673 1533 1 8 . 1 1 5 5 THR H H 5 8.243 8.243 8.292 -0.049 19673 1534 1 8 . 1 1 6 6 ASP N N 6 121.828 121.828 118.735 3.093 19673 1535 1 8 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.648 0.030 19673 1536 1 8 . 1 1 6 6 ASP C C 6 175.797 175.797 174.700 1.097 19673 1537 1 8 . 1 1 6 6 ASP CA C 6 54.813 54.813 52.455 2.358 19673 1538 1 8 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.961 -0.949 19673 1539 1 8 . 1 1 6 6 ASP H H 6 8.325 8.325 8.121 0.204 19673 1540 1 8 . 1 1 7 7 ASN N N 7 117.808 117.808 119.106 -1.298 19673 1541 1 8 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.300 0.528 19673 1542 1 8 . 1 1 7 7 ASN C C 7 174.864 174.864 174.625 0.239 19673 1543 1 8 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.689 -1.562 19673 1544 1 8 . 1 1 7 7 ASN CB C 7 38.696 38.696 37.632 1.064 19673 1545 1 8 . 1 1 7 7 ASN H H 7 8.267 8.267 8.539 -0.272 19673 1546 1 8 . 1 1 8 8 LEU N N 8 121.126 121.126 118.874 2.252 19673 1547 1 8 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.944 0.386 19673 1548 1 8 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.965 -0.146 19673 1549 1 8 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.992 0.412 19673 1550 1 8 . 1 1 8 8 LEU H H 8 8.452 8.452 8.645 -0.193 19673 1551 1 8 . 1 1 9 9 ILE N N 9 119.437 119.437 116.733 2.704 19673 1552 1 8 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.115 0.071 19673 1553 1 8 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.479 0.362 19673 1554 1 8 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.228 -2.461 19673 1555 1 8 . 1 1 9 9 ILE H H 9 8.250 8.250 7.414 0.836 19673 1556 1 8 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.033 0.347 19673 1557 1 8 . 1 1 10 10 PRO CA C 10 64.946 64.946 67.186 -2.240 19673 1558 1 8 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.540 2.051 19673 1559 1 8 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.955 -0.119 19673 1560 1 8 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.211 1.779 19673 1561 1 8 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.842 0.294 19673 1562 1 8 . 1 1 12 12 TYR N N 12 117.971 117.971 118.363 -0.392 19673 1563 1 8 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.002 0.428 19673 1564 1 8 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.305 -1.531 19673 1565 1 8 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.293 -1.258 19673 1566 1 8 . 1 1 12 12 TYR H H 12 8.341 8.341 7.541 0.800 19673 1567 1 8 . 1 1 13 13 CYS N N 13 115.494 115.494 117.026 -1.532 19673 1568 1 8 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.187 0.174 19673 1569 1 8 . 1 1 13 13 CYS C C 13 175.298 175.298 177.278 -1.980 19673 1570 1 8 . 1 1 13 13 CYS CA C 13 59.085 59.085 61.837 -2.752 19673 1571 1 8 . 1 1 13 13 CYS CB C 13 41.529 41.529 25.640 15.889 19673 1572 1 8 . 1 1 13 13 CYS H H 13 8.681 8.681 7.098 1.583 19673 1573 1 8 . 1 1 14 14 SER N N 14 116.691 116.691 115.287 1.404 19673 1574 1 8 . 1 1 14 14 SER HA H 14 4.200 4.200 4.157 0.043 19673 1575 1 8 . 1 1 14 14 SER C C 14 174.951 174.951 177.007 -2.056 19673 1576 1 8 . 1 1 14 14 SER CA C 14 62.671 62.671 61.370 1.301 19673 1577 1 8 . 1 1 14 14 SER CB C 14 62.565 62.565 60.937 1.628 19673 1578 1 8 . 1 1 14 14 SER H H 14 7.923 7.923 8.171 -0.248 19673 1579 1 8 . 1 1 15 15 ILE N N 15 120.993 120.993 121.764 -0.771 19673 1580 1 8 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.951 -0.186 19673 1581 1 8 . 1 1 15 15 ILE C C 15 176.935 176.935 177.761 -0.826 19673 1582 1 8 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.791 -0.675 19673 1583 1 8 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.964 -0.602 19673 1584 1 8 . 1 1 15 15 ILE H H 15 7.930 7.930 7.976 -0.046 19673 1585 1 8 . 1 1 16 16 LEU N N 16 118.319 118.319 122.878 -4.559 19673 1586 1 8 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.902 0.160 19673 1587 1 8 . 1 1 16 16 LEU C C 16 177.684 177.684 178.214 -0.530 19673 1588 1 8 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.616 -0.664 19673 1589 1 8 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.054 -0.502 19673 1590 1 8 . 1 1 16 16 LEU H H 16 8.037 8.037 8.123 -0.086 19673 1591 1 8 . 1 1 17 17 ALA N N 17 118.970 118.970 122.709 -3.739 19673 1592 1 8 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.940 0.075 19673 1593 1 8 . 1 1 17 17 ALA C C 17 177.814 177.814 178.764 -0.950 19673 1594 1 8 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.659 -0.360 19673 1595 1 8 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.824 -1.198 19673 1596 1 8 . 1 1 17 17 ALA H H 17 8.260 8.260 8.322 -0.062 19673 1597 1 8 . 1 1 18 18 ALA N N 18 118.854 118.854 121.556 -2.702 19673 1598 1 8 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.822 0.172 19673 1599 1 8 . 1 1 18 18 ALA C C 18 178.578 178.578 178.924 -0.346 19673 1600 1 8 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.217 0.082 19673 1601 1 8 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.993 -0.331 19673 1602 1 8 . 1 1 18 18 ALA H H 18 8.027 8.027 7.858 0.169 19673 1603 1 8 . 1 1 19 19 VAL N N 19 116.253 116.253 118.040 -1.787 19673 1604 1 8 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.744 -0.098 19673 1605 1 8 . 1 1 19 19 VAL C C 19 176.935 176.935 178.125 -1.190 19673 1606 1 8 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.451 1.053 19673 1607 1 8 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.888 0.131 19673 1608 1 8 . 1 1 19 19 VAL H H 19 8.259 8.259 7.762 0.497 19673 1609 1 8 . 1 1 20 20 VAL N N 20 118.427 118.427 118.858 -0.431 19673 1610 1 8 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.493 0.146 19673 1611 1 8 . 1 1 20 20 VAL C C 20 177.044 177.044 178.262 -1.218 19673 1612 1 8 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.438 1.064 19673 1613 1 8 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.650 -0.749 19673 1614 1 8 . 1 1 20 20 VAL H H 20 8.206 8.206 7.642 0.564 19673 1615 1 8 . 1 1 21 21 VAL N N 21 118.319 118.319 119.338 -1.019 19673 1616 1 8 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.613 -0.037 19673 1617 1 8 . 1 1 21 21 VAL C C 21 177.239 177.239 177.965 -0.726 19673 1618 1 8 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.838 0.269 19673 1619 1 8 . 1 1 21 21 VAL CB C 21 30.698 30.698 31.056 -0.358 19673 1620 1 8 . 1 1 21 21 VAL H H 21 8.511 8.511 7.936 0.575 19673 1621 1 8 . 1 1 22 22 GLY N N 22 106.678 106.678 108.412 -1.734 19673 1622 1 8 . 1 1 22 22 GLY C C 22 174.192 174.192 177.264 -3.072 19673 1623 1 8 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.665 -2.336 19673 1624 1 8 . 1 1 22 22 GLY H H 22 8.665 8.665 8.672 -0.007 19673 1625 1 8 . 1 1 23 23 LEU N N 23 121.389 121.389 119.513 1.876 19673 1626 1 8 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.048 0.239 19673 1627 1 8 . 1 1 23 23 LEU C C 23 178.486 178.486 178.674 -0.188 19673 1628 1 8 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.981 1.137 19673 1629 1 8 . 1 1 23 23 LEU H H 23 8.604 8.604 8.222 0.382 19673 1630 1 8 . 1 1 24 24 VAL N N 24 118.366 118.366 121.981 -3.615 19673 1631 1 8 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.906 -0.254 19673 1632 1 8 . 1 1 24 24 VAL C C 24 177.109 177.109 178.362 -1.253 19673 1633 1 8 . 1 1 24 24 VAL CA C 24 66.991 66.991 64.925 2.066 19673 1634 1 8 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.120 -0.328 19673 1635 1 8 . 1 1 24 24 VAL H H 24 8.514 8.514 7.720 0.794 19673 1636 1 8 . 1 1 25 25 ALA N N 25 121.150 121.150 121.523 -0.373 19673 1637 1 8 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.825 0.258 19673 1638 1 8 . 1 1 25 25 ALA C C 25 178.345 178.345 179.486 -1.141 19673 1639 1 8 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.815 -1.561 19673 1640 1 8 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.613 -0.885 19673 1641 1 8 . 1 1 25 25 ALA H H 25 8.864 8.864 8.020 0.844 19673 1642 1 8 . 1 1 26 26 TYR N N 26 118.180 118.180 119.516 -1.336 19673 1643 1 8 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.457 -0.167 19673 1644 1 8 . 1 1 26 26 TYR C C 26 176.867 176.867 177.877 -1.010 19673 1645 1 8 . 1 1 26 26 TYR CA C 26 61.979 61.979 60.913 1.066 19673 1646 1 8 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.765 0.761 19673 1647 1 8 . 1 1 26 26 TYR H H 26 8.686 8.686 8.023 0.663 19673 1648 1 8 . 1 1 27 27 ILE N N 27 118.426 118.426 120.868 -2.442 19673 1649 1 8 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.972 -0.377 19673 1650 1 8 . 1 1 27 27 ILE C C 27 177.922 177.922 177.851 0.071 19673 1651 1 8 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.903 -0.163 19673 1652 1 8 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.608 -1.233 19673 1653 1 8 . 1 1 27 27 ILE H H 27 8.537 8.537 7.815 0.722 19673 1654 1 8 . 1 1 28 28 ALA N N 28 121.944 121.944 121.667 0.277 19673 1655 1 8 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.649 0.364 19673 1656 1 8 . 1 1 28 28 ALA C C 28 178.779 178.779 179.060 -0.281 19673 1657 1 8 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.715 -0.416 19673 1658 1 8 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.923 -0.949 19673 1659 1 8 . 1 1 28 28 ALA H H 28 8.920 8.920 8.099 0.821 19673 1660 1 8 . 1 1 29 29 PHE N N 29 117.662 117.662 120.052 -2.390 19673 1661 1 8 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.268 0.079 19673 1662 1 8 . 1 1 29 29 PHE C C 29 177.543 177.543 177.672 -0.129 19673 1663 1 8 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.426 -0.220 19673 1664 1 8 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.192 0.874 19673 1665 1 8 . 1 1 29 29 PHE H H 29 8.868 8.868 8.284 0.584 19673 1666 1 8 . 1 1 30 30 LYS N N 30 118.519 118.519 119.109 -0.590 19673 1667 1 8 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.138 -0.144 19673 1668 1 8 . 1 1 30 30 LYS C C 30 179.148 179.148 178.231 0.917 19673 1669 1 8 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.540 -0.709 19673 1670 1 8 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.598 -1.479 19673 1671 1 8 . 1 1 30 30 LYS H H 30 8.437 8.437 7.844 0.593 19673 1672 1 8 . 1 1 31 31 ARG N N 31 118.783 118.783 118.758 0.025 19673 1673 1 8 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.763 0.502 19673 1674 1 8 . 1 1 31 31 ARG C C 31 178.041 178.041 178.586 -0.545 19673 1675 1 8 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.143 -0.520 19673 1676 1 8 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.599 0.229 19673 1677 1 8 . 1 1 31 31 ARG H H 31 8.311 8.311 7.386 0.925 19673 1678 1 8 . 1 1 32 32 TRP N N 32 121.389 121.389 120.664 0.725 19673 1679 1 8 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.262 0.253 19673 1680 1 8 . 1 1 32 32 TRP C C 32 176.935 176.935 178.252 -1.317 19673 1681 1 8 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.155 -0.728 19673 1682 1 8 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.311 -0.408 19673 1683 1 8 . 1 1 32 32 TRP H H 32 8.579 8.579 8.024 0.555 19673 1684 1 8 . 1 1 33 33 ASN N N 33 117.319 117.319 113.705 3.614 19673 1685 1 8 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.813 -0.295 19673 1686 1 8 . 1 1 33 33 ASN C C 33 175.770 175.770 176.103 -0.333 19673 1687 1 8 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.989 0.130 19673 1688 1 8 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.598 0.389 19673 1689 1 8 . 1 1 33 33 ASN H H 33 8.313 8.313 8.131 0.182 19673 1690 1 8 . 1 1 34 34 SER N N 34 114.896 114.896 114.318 0.578 19673 1691 1 8 . 1 1 34 34 SER HA H 34 4.481 4.481 4.089 0.392 19673 1692 1 8 . 1 1 34 34 SER C C 34 174.852 174.852 175.462 -0.610 19673 1693 1 8 . 1 1 34 34 SER CA C 34 59.319 59.319 60.633 -1.314 19673 1694 1 8 . 1 1 34 34 SER CB C 34 63.433 63.433 63.286 0.147 19673 1695 1 8 . 1 1 34 34 SER H H 34 7.952 7.952 7.443 0.509 19673 1696 1 8 . 1 1 35 35 SER N N 35 117.172 117.172 112.369 4.803 19673 1697 1 8 . 1 1 35 35 SER HA H 35 4.518 4.518 4.421 0.097 19673 1698 1 8 . 1 1 35 35 SER C C 35 174.485 174.485 174.484 0.001 19673 1699 1 8 . 1 1 35 35 SER CA C 35 58.833 58.833 58.219 0.614 19673 1700 1 8 . 1 1 35 35 SER CB C 35 63.445 63.445 63.626 -0.181 19673 1701 1 8 . 1 1 35 35 SER H H 35 8.094 8.094 7.609 0.485 19673 1702 1 8 . 1 1 36 36 LYS N N 36 122.146 122.146 123.807 -1.661 19673 1703 1 8 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.040 0.334 19673 1704 1 8 . 1 1 36 36 LYS C C 36 176.339 176.339 175.182 1.157 19673 1705 1 8 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.385 -1.188 19673 1706 1 8 . 1 1 36 36 LYS CB C 36 32.357 32.357 33.045 -0.688 19673 1707 1 8 . 1 1 36 36 LYS H H 36 8.011 8.011 7.839 0.172 19673 1708 1 8 . 1 1 37 37 GLN N N 37 120.055 120.055 121.435 -1.380 19673 1709 1 8 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.496 -0.078 19673 1710 1 8 . 1 1 37 37 GLN C C 37 175.424 175.424 175.802 -0.378 19673 1711 1 8 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.159 0.487 19673 1712 1 8 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.710 0.418 19673 1713 1 8 . 1 1 37 37 GLN H H 37 8.177 8.177 8.385 -0.208 19673 1714 1 8 . 1 1 38 38 ASN N N 38 119.734 119.734 120.610 -0.876 19673 1715 1 8 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.418 0.390 19673 1716 1 8 . 1 1 38 38 ASN C C 38 174.550 174.550 175.141 -0.591 19673 1717 1 8 . 1 1 38 38 ASN CA C 38 53.040 53.040 54.675 -1.635 19673 1718 1 8 . 1 1 38 38 ASN H H 38 8.379 8.379 8.734 -0.355 19673 1719 1 8 . 1 1 39 39 LYS N N 39 121.900 121.900 117.274 4.626 19673 1720 1 8 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.166 0.284 19673 1721 1 8 . 1 1 39 39 LYS CA C 39 56.131 56.131 57.002 -0.871 19673 1722 1 8 . 1 1 39 39 LYS CB C 39 32.775 32.775 32.506 0.269 19673 1723 1 8 . 1 1 39 39 LYS H H 39 8.220 8.220 8.168 0.052 19673 1724 1 8 . 1 1 40 40 GLN N N 40 126.738 126.738 121.462 5.276 19673 1725 1 8 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.499 -0.212 19673 1726 1 8 . 1 1 40 40 GLN CA C 40 57.168 57.168 54.651 2.517 19673 1727 1 8 . 1 1 40 40 GLN CB C 40 30.260 30.260 30.547 -0.286 19673 1728 1 8 . 1 1 40 40 GLN H H 40 8.004 8.004 7.944 0.060 19673 1729 1 9 . 1 1 2 2 ARG N N 2 122.743 122.743 120.546 2.197 19673 1730 1 9 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.827 -0.315 19673 1731 1 9 . 1 1 2 2 ARG C C 2 176.305 176.305 176.060 0.245 19673 1732 1 9 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.419 0.708 19673 1733 1 9 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.598 -0.882 19673 1734 1 9 . 1 1 2 2 ARG H H 2 8.481 8.481 7.995 0.486 19673 1735 1 9 . 1 1 3 3 GLY N N 3 109.588 109.588 108.052 1.536 19673 1736 1 9 . 1 1 3 3 GLY C C 3 174.092 174.092 175.290 -1.198 19673 1737 1 9 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.973 -0.804 19673 1738 1 9 . 1 1 3 3 GLY H H 3 8.576 8.576 8.471 0.105 19673 1739 1 9 . 1 1 4 4 THR N N 4 113.251 113.251 112.557 0.694 19673 1740 1 9 . 1 1 4 4 THR HA H 4 4.544 4.544 4.226 0.318 19673 1741 1 9 . 1 1 4 4 THR C C 4 174.864 174.864 173.331 1.533 19673 1742 1 9 . 1 1 4 4 THR CA C 4 61.955 61.955 61.434 0.522 19673 1743 1 9 . 1 1 4 4 THR H H 4 8.155 8.155 8.082 0.073 19673 1744 1 9 . 1 1 5 5 THR N N 5 114.461 114.461 113.386 1.075 19673 1745 1 9 . 1 1 5 5 THR HA H 5 4.454 4.454 4.069 0.385 19673 1746 1 9 . 1 1 5 5 THR C C 5 174.181 174.181 174.036 0.145 19673 1747 1 9 . 1 1 5 5 THR CA C 5 62.062 62.062 63.340 -1.278 19673 1748 1 9 . 1 1 5 5 THR CB C 5 69.306 69.306 68.228 1.078 19673 1749 1 9 . 1 1 5 5 THR H H 5 8.243 8.243 8.080 0.163 19673 1750 1 9 . 1 1 6 6 ASP N N 6 121.828 121.828 122.056 -0.228 19673 1751 1 9 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.672 0.006 19673 1752 1 9 . 1 1 6 6 ASP C C 6 175.797 175.797 175.358 0.439 19673 1753 1 9 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.631 0.182 19673 1754 1 9 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.632 -0.620 19673 1755 1 9 . 1 1 6 6 ASP H H 6 8.325 8.325 7.993 0.332 19673 1756 1 9 . 1 1 7 7 ASN N N 7 117.808 117.808 119.455 -1.647 19673 1757 1 9 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.486 0.342 19673 1758 1 9 . 1 1 7 7 ASN C C 7 174.864 174.864 174.583 0.281 19673 1759 1 9 . 1 1 7 7 ASN CA C 7 53.127 53.127 54.498 -1.371 19673 1760 1 9 . 1 1 7 7 ASN CB C 7 38.696 38.696 37.734 0.962 19673 1761 1 9 . 1 1 7 7 ASN H H 7 8.267 8.267 8.703 -0.436 19673 1762 1 9 . 1 1 8 8 LEU N N 8 121.126 121.126 117.340 3.786 19673 1763 1 9 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.386 -0.056 19673 1764 1 9 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.709 0.110 19673 1765 1 9 . 1 1 8 8 LEU CB C 8 42.404 42.404 43.527 -1.123 19673 1766 1 9 . 1 1 8 8 LEU H H 8 8.452 8.452 8.172 0.280 19673 1767 1 9 . 1 1 9 9 ILE N N 9 119.437 119.437 118.404 1.033 19673 1768 1 9 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.385 -0.199 19673 1769 1 9 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.915 -0.074 19673 1770 1 9 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.836 -3.068 19673 1771 1 9 . 1 1 9 9 ILE H H 9 8.250 8.250 7.830 0.420 19673 1772 1 9 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.105 0.275 19673 1773 1 9 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.990 -4.043 19673 1774 1 9 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.870 1.721 19673 1775 1 9 . 1 1 11 11 VAL HA H 11 3.836 3.836 3.992 -0.156 19673 1776 1 9 . 1 1 11 11 VAL CA C 11 65.990 65.990 65.035 0.955 19673 1777 1 9 . 1 1 11 11 VAL CB C 11 31.136 31.136 31.099 0.037 19673 1778 1 9 . 1 1 12 12 TYR N N 12 117.971 117.971 117.544 0.427 19673 1779 1 9 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.175 0.255 19673 1780 1 9 . 1 1 12 12 TYR CA C 12 59.774 59.774 60.974 -1.200 19673 1781 1 9 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.186 -1.151 19673 1782 1 9 . 1 1 12 12 TYR H H 12 8.341 8.341 8.409 -0.068 19673 1783 1 9 . 1 1 13 13 CYS N N 13 115.494 115.494 118.903 -3.409 19673 1784 1 9 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.214 0.147 19673 1785 1 9 . 1 1 13 13 CYS C C 13 175.298 175.298 177.173 -1.875 19673 1786 1 9 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.921 -3.836 19673 1787 1 9 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.654 14.876 19673 1788 1 9 . 1 1 13 13 CYS H H 13 8.681 8.681 7.580 1.101 19673 1789 1 9 . 1 1 14 14 SER N N 14 116.691 116.691 115.015 1.676 19673 1790 1 9 . 1 1 14 14 SER HA H 14 4.200 4.200 4.222 -0.022 19673 1791 1 9 . 1 1 14 14 SER C C 14 174.951 174.951 177.265 -2.314 19673 1792 1 9 . 1 1 14 14 SER CA C 14 62.671 62.671 61.146 1.525 19673 1793 1 9 . 1 1 14 14 SER CB C 14 62.565 62.565 61.219 1.346 19673 1794 1 9 . 1 1 14 14 SER H H 14 7.923 7.923 8.274 -0.351 19673 1795 1 9 . 1 1 15 15 ILE N N 15 120.993 120.993 121.873 -0.880 19673 1796 1 9 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.965 -0.200 19673 1797 1 9 . 1 1 15 15 ILE C C 15 176.935 176.935 178.035 -1.100 19673 1798 1 9 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.746 -0.630 19673 1799 1 9 . 1 1 15 15 ILE CB C 15 37.362 37.362 38.039 -0.678 19673 1800 1 9 . 1 1 15 15 ILE H H 15 7.930 7.930 7.758 0.172 19673 1801 1 9 . 1 1 16 16 LEU N N 16 118.319 118.319 123.168 -4.849 19673 1802 1 9 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.910 0.152 19673 1803 1 9 . 1 1 16 16 LEU C C 16 177.684 177.684 178.323 -0.639 19673 1804 1 9 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.496 -0.544 19673 1805 1 9 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.056 -0.504 19673 1806 1 9 . 1 1 16 16 LEU H H 16 8.037 8.037 8.103 -0.066 19673 1807 1 9 . 1 1 17 17 ALA N N 17 118.970 118.970 122.370 -3.400 19673 1808 1 9 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.878 0.137 19673 1809 1 9 . 1 1 17 17 ALA C C 17 177.814 177.814 178.800 -0.986 19673 1810 1 9 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.632 -0.333 19673 1811 1 9 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.758 -1.131 19673 1812 1 9 . 1 1 17 17 ALA H H 17 8.260 8.260 8.219 0.041 19673 1813 1 9 . 1 1 18 18 ALA N N 18 118.854 118.854 120.921 -2.067 19673 1814 1 9 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.824 0.170 19673 1815 1 9 . 1 1 18 18 ALA C C 18 178.578 178.578 179.398 -0.820 19673 1816 1 9 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.189 0.110 19673 1817 1 9 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.781 -0.119 19673 1818 1 9 . 1 1 18 18 ALA H H 18 8.027 8.027 7.661 0.366 19673 1819 1 9 . 1 1 19 19 VAL N N 19 116.253 116.253 118.330 -2.077 19673 1820 1 9 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.780 -0.134 19673 1821 1 9 . 1 1 19 19 VAL C C 19 176.935 176.935 178.067 -1.132 19673 1822 1 9 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.451 1.053 19673 1823 1 9 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.992 0.027 19673 1824 1 9 . 1 1 19 19 VAL H H 19 8.259 8.259 7.741 0.518 19673 1825 1 9 . 1 1 20 20 VAL N N 20 118.427 118.427 118.376 0.051 19673 1826 1 9 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.632 0.007 19673 1827 1 9 . 1 1 20 20 VAL C C 20 177.044 177.044 178.404 -1.360 19673 1828 1 9 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.344 1.158 19673 1829 1 9 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.118 -0.217 19673 1830 1 9 . 1 1 20 20 VAL H H 20 8.206 8.206 7.716 0.490 19673 1831 1 9 . 1 1 21 21 VAL N N 21 118.319 118.319 119.634 -1.315 19673 1832 1 9 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.720 -0.144 19673 1833 1 9 . 1 1 21 21 VAL C C 21 177.239 177.239 178.190 -0.951 19673 1834 1 9 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.127 0.980 19673 1835 1 9 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.813 -0.115 19673 1836 1 9 . 1 1 21 21 VAL H H 21 8.511 8.511 7.780 0.731 19673 1837 1 9 . 1 1 22 22 GLY N N 22 106.678 106.678 109.766 -3.088 19673 1838 1 9 . 1 1 22 22 GLY C C 22 174.192 174.192 177.216 -3.024 19673 1839 1 9 . 1 1 22 22 GLY CA C 22 47.329 47.329 50.105 -2.776 19673 1840 1 9 . 1 1 22 22 GLY H H 22 8.665 8.665 8.671 -0.006 19673 1841 1 9 . 1 1 23 23 LEU N N 23 121.389 121.389 119.051 2.338 19673 1842 1 9 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.025 0.262 19673 1843 1 9 . 1 1 23 23 LEU C C 23 178.486 178.486 177.912 0.574 19673 1844 1 9 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.894 1.224 19673 1845 1 9 . 1 1 23 23 LEU H H 23 8.604 8.604 8.005 0.599 19673 1846 1 9 . 1 1 24 24 VAL N N 24 118.366 118.366 121.771 -3.405 19673 1847 1 9 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.816 -0.164 19673 1848 1 9 . 1 1 24 24 VAL C C 24 177.109 177.109 177.969 -0.860 19673 1849 1 9 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.010 1.980 19673 1850 1 9 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.711 -0.919 19673 1851 1 9 . 1 1 24 24 VAL H H 24 8.514 8.514 7.645 0.869 19673 1852 1 9 . 1 1 25 25 ALA N N 25 121.150 121.150 121.011 0.139 19673 1853 1 9 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.730 0.353 19673 1854 1 9 . 1 1 25 25 ALA C C 25 178.345 178.345 179.386 -1.041 19673 1855 1 9 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.441 -1.187 19673 1856 1 9 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.456 -0.728 19673 1857 1 9 . 1 1 25 25 ALA H H 25 8.864 8.864 8.283 0.581 19673 1858 1 9 . 1 1 26 26 TYR N N 26 118.180 118.180 119.997 -1.817 19673 1859 1 9 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.442 -0.152 19673 1860 1 9 . 1 1 26 26 TYR C C 26 176.867 176.867 177.887 -1.020 19673 1861 1 9 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.063 0.916 19673 1862 1 9 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.696 0.830 19673 1863 1 9 . 1 1 26 26 TYR H H 26 8.686 8.686 8.099 0.587 19673 1864 1 9 . 1 1 27 27 ILE N N 27 118.426 118.426 120.373 -1.947 19673 1865 1 9 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.899 -0.304 19673 1866 1 9 . 1 1 27 27 ILE C C 27 177.922 177.922 177.900 0.022 19673 1867 1 9 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.725 0.014 19673 1868 1 9 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.449 -1.074 19673 1869 1 9 . 1 1 27 27 ILE H H 27 8.537 8.537 8.039 0.498 19673 1870 1 9 . 1 1 28 28 ALA N N 28 121.944 121.944 122.055 -0.111 19673 1871 1 9 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.734 0.279 19673 1872 1 9 . 1 1 28 28 ALA C C 28 178.779 178.779 179.007 -0.228 19673 1873 1 9 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.370 -0.071 19673 1874 1 9 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.976 -1.002 19673 1875 1 9 . 1 1 28 28 ALA H H 28 8.920 8.920 8.020 0.900 19673 1876 1 9 . 1 1 29 29 PHE N N 29 117.662 117.662 120.294 -2.632 19673 1877 1 9 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.205 0.142 19673 1878 1 9 . 1 1 29 29 PHE C C 29 177.543 177.543 177.460 0.083 19673 1879 1 9 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.227 -0.021 19673 1880 1 9 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.063 1.003 19673 1881 1 9 . 1 1 29 29 PHE H H 29 8.868 8.868 8.473 0.395 19673 1882 1 9 . 1 1 30 30 LYS N N 30 118.519 118.519 119.305 -0.786 19673 1883 1 9 . 1 1 30 30 LYS HA H 30 3.994 3.994 3.964 0.030 19673 1884 1 9 . 1 1 30 30 LYS C C 30 179.148 179.148 178.408 0.740 19673 1885 1 9 . 1 1 30 30 LYS CA C 30 57.831 57.831 59.903 -2.072 19673 1886 1 9 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.632 -1.513 19673 1887 1 9 . 1 1 30 30 LYS H H 30 8.437 8.437 7.829 0.608 19673 1888 1 9 . 1 1 31 31 ARG N N 31 118.783 118.783 118.035 0.748 19673 1889 1 9 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.995 0.270 19673 1890 1 9 . 1 1 31 31 ARG C C 31 178.041 178.041 178.598 -0.557 19673 1891 1 9 . 1 1 31 31 ARG CA C 31 57.623 57.623 59.246 -1.623 19673 1892 1 9 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.958 -0.130 19673 1893 1 9 . 1 1 31 31 ARG H H 31 8.311 8.311 7.628 0.683 19673 1894 1 9 . 1 1 32 32 TRP N N 32 121.389 121.389 119.701 1.688 19673 1895 1 9 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.349 0.166 19673 1896 1 9 . 1 1 32 32 TRP C C 32 176.935 176.935 177.630 -0.695 19673 1897 1 9 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.042 -0.616 19673 1898 1 9 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.104 -0.201 19673 1899 1 9 . 1 1 32 32 TRP H H 32 8.579 8.579 7.728 0.851 19673 1900 1 9 . 1 1 33 33 ASN N N 33 117.319 117.319 112.446 4.873 19673 1901 1 9 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.609 -0.091 19673 1902 1 9 . 1 1 33 33 ASN C C 33 175.770 175.770 176.014 -0.244 19673 1903 1 9 . 1 1 33 33 ASN CA C 33 54.119 54.119 53.036 1.083 19673 1904 1 9 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.788 0.199 19673 1905 1 9 . 1 1 33 33 ASN H H 33 8.313 8.313 8.060 0.253 19673 1906 1 9 . 1 1 34 34 SER N N 34 114.896 114.896 113.446 1.450 19673 1907 1 9 . 1 1 34 34 SER HA H 34 4.481 4.481 4.344 0.137 19673 1908 1 9 . 1 1 34 34 SER C C 34 174.852 174.852 175.349 -0.497 19673 1909 1 9 . 1 1 34 34 SER CA C 34 59.319 59.319 60.655 -1.336 19673 1910 1 9 . 1 1 34 34 SER CB C 34 63.433 63.433 63.883 -0.450 19673 1911 1 9 . 1 1 34 34 SER H H 34 7.952 7.952 7.738 0.214 19673 1912 1 9 . 1 1 35 35 SER N N 35 117.172 117.172 110.428 6.744 19673 1913 1 9 . 1 1 35 35 SER HA H 35 4.518 4.518 4.393 0.125 19673 1914 1 9 . 1 1 35 35 SER C C 35 174.485 174.485 173.150 1.335 19673 1915 1 9 . 1 1 35 35 SER CA C 35 58.833 58.833 58.947 -0.113 19673 1916 1 9 . 1 1 35 35 SER CB C 35 63.445 63.445 63.845 -0.400 19673 1917 1 9 . 1 1 35 35 SER H H 35 8.094 8.094 7.730 0.364 19673 1918 1 9 . 1 1 36 36 LYS N N 36 122.146 122.146 124.378 -2.232 19673 1919 1 9 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.082 0.292 19673 1920 1 9 . 1 1 36 36 LYS C C 36 176.339 176.339 175.359 0.980 19673 1921 1 9 . 1 1 36 36 LYS CA C 36 56.197 56.197 58.587 -2.390 19673 1922 1 9 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.508 -0.151 19673 1923 1 9 . 1 1 36 36 LYS H H 36 8.011 8.011 8.103 -0.092 19673 1924 1 9 . 1 1 37 37 GLN N N 37 120.055 120.055 124.091 -4.036 19673 1925 1 9 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.431 -0.013 19673 1926 1 9 . 1 1 37 37 GLN C C 37 175.424 175.424 174.565 0.859 19673 1927 1 9 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.180 0.466 19673 1928 1 9 . 1 1 37 37 GLN CB C 37 29.129 29.129 31.581 -2.452 19673 1929 1 9 . 1 1 37 37 GLN H H 37 8.177 8.177 8.128 0.049 19673 1930 1 9 . 1 1 38 38 ASN N N 38 119.734 119.734 120.140 -0.406 19673 1931 1 9 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.920 -0.113 19673 1932 1 9 . 1 1 38 38 ASN C C 38 174.550 174.550 173.361 1.189 19673 1933 1 9 . 1 1 38 38 ASN CA C 38 53.040 53.040 52.940 0.100 19673 1934 1 9 . 1 1 38 38 ASN H H 38 8.379 8.379 8.597 -0.218 19673 1935 1 9 . 1 1 39 39 LYS N N 39 121.900 121.900 122.694 -0.794 19673 1936 1 9 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.421 0.028 19673 1937 1 9 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.948 -0.817 19673 1938 1 9 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.264 -0.489 19673 1939 1 9 . 1 1 39 39 LYS H H 39 8.220 8.220 8.255 -0.035 19673 1940 1 9 . 1 1 40 40 GLN N N 40 126.738 126.738 120.794 5.944 19673 1941 1 9 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.648 -0.361 19673 1942 1 9 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.261 1.907 19673 1943 1 9 . 1 1 40 40 GLN CB C 40 30.260 30.260 30.259 0.001 19673 1944 1 9 . 1 1 40 40 GLN H H 40 8.004 8.004 8.369 -0.365 19673 1945 1 10 . 1 1 2 2 ARG N N 2 122.743 122.743 119.535 3.208 19673 1946 1 10 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.714 -0.202 19673 1947 1 10 . 1 1 2 2 ARG C C 2 176.305 176.305 175.222 1.083 19673 1948 1 10 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.754 0.373 19673 1949 1 10 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.528 -0.812 19673 1950 1 10 . 1 1 2 2 ARG H H 2 8.481 8.481 8.006 0.475 19673 1951 1 10 . 1 1 3 3 GLY N N 3 109.588 109.588 111.988 -2.400 19673 1952 1 10 . 1 1 3 3 GLY C C 3 174.092 174.092 173.872 0.220 19673 1953 1 10 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.351 -0.182 19673 1954 1 10 . 1 1 3 3 GLY H H 3 8.576 8.576 8.827 -0.251 19673 1955 1 10 . 1 1 4 4 THR N N 4 113.251 113.251 118.412 -5.161 19673 1956 1 10 . 1 1 4 4 THR HA H 4 4.544 4.544 4.351 0.193 19673 1957 1 10 . 1 1 4 4 THR C C 4 174.864 174.864 173.948 0.916 19673 1958 1 10 . 1 1 4 4 THR CA C 4 61.955 61.955 62.172 -0.217 19673 1959 1 10 . 1 1 4 4 THR H H 4 8.155 8.155 8.461 -0.306 19673 1960 1 10 . 1 1 5 5 THR N N 5 114.461 114.461 113.189 1.272 19673 1961 1 10 . 1 1 5 5 THR HA H 5 4.454 4.454 4.212 0.242 19673 1962 1 10 . 1 1 5 5 THR C C 5 174.181 174.181 174.474 -0.293 19673 1963 1 10 . 1 1 5 5 THR CA C 5 62.062 62.062 62.312 -0.251 19673 1964 1 10 . 1 1 5 5 THR CB C 5 69.306 69.306 69.514 -0.208 19673 1965 1 10 . 1 1 5 5 THR H H 5 8.243 8.243 7.693 0.550 19673 1966 1 10 . 1 1 6 6 ASP N N 6 121.828 121.828 118.712 3.116 19673 1967 1 10 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.322 0.356 19673 1968 1 10 . 1 1 6 6 ASP C C 6 175.797 175.797 175.063 0.734 19673 1969 1 10 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.421 0.392 19673 1970 1 10 . 1 1 6 6 ASP CB C 6 41.012 41.012 40.687 0.325 19673 1971 1 10 . 1 1 6 6 ASP H H 6 8.325 8.325 8.257 0.068 19673 1972 1 10 . 1 1 7 7 ASN N N 7 117.808 117.808 121.126 -3.318 19673 1973 1 10 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.724 0.104 19673 1974 1 10 . 1 1 7 7 ASN C C 7 174.864 174.864 175.749 -0.885 19673 1975 1 10 . 1 1 7 7 ASN CA C 7 53.127 53.127 52.563 0.564 19673 1976 1 10 . 1 1 7 7 ASN CB C 7 38.696 38.696 39.238 -0.542 19673 1977 1 10 . 1 1 7 7 ASN H H 7 8.267 8.267 8.404 -0.137 19673 1978 1 10 . 1 1 8 8 LEU N N 8 121.126 121.126 119.723 1.403 19673 1979 1 10 . 1 1 8 8 LEU HA H 8 4.330 4.330 3.933 0.397 19673 1980 1 10 . 1 1 8 8 LEU CA C 8 55.819 55.819 56.562 -0.743 19673 1981 1 10 . 1 1 8 8 LEU CB C 8 42.404 42.404 41.996 0.408 19673 1982 1 10 . 1 1 8 8 LEU H H 8 8.452 8.452 8.702 -0.250 19673 1983 1 10 . 1 1 9 9 ILE N N 9 119.437 119.437 117.428 2.009 19673 1984 1 10 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.297 -0.111 19673 1985 1 10 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.513 0.328 19673 1986 1 10 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.798 -3.031 19673 1987 1 10 . 1 1 9 9 ILE H H 9 8.250 8.250 7.585 0.665 19673 1988 1 10 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.241 0.139 19673 1989 1 10 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.028 -3.082 19673 1990 1 10 . 1 1 10 10 PRO CB C 10 31.591 31.591 30.340 1.250 19673 1991 1 10 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.036 -0.200 19673 1992 1 10 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.305 1.685 19673 1993 1 10 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.925 0.211 19673 1994 1 10 . 1 1 12 12 TYR N N 12 117.971 117.971 119.690 -1.719 19673 1995 1 10 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.105 0.325 19673 1996 1 10 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.590 -1.816 19673 1997 1 10 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.507 -1.472 19673 1998 1 10 . 1 1 12 12 TYR H H 12 8.341 8.341 7.792 0.549 19673 1999 1 10 . 1 1 13 13 CYS N N 13 115.494 115.494 118.185 -2.691 19673 2000 1 10 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.085 0.276 19673 2001 1 10 . 1 1 13 13 CYS C C 13 175.298 175.298 177.270 -1.972 19673 2002 1 10 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.570 -3.485 19673 2003 1 10 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.369 15.160 19673 2004 1 10 . 1 1 13 13 CYS H H 13 8.681 8.681 7.760 0.921 19673 2005 1 10 . 1 1 14 14 SER N N 14 116.691 116.691 114.653 2.038 19673 2006 1 10 . 1 1 14 14 SER HA H 14 4.200 4.200 4.181 0.019 19673 2007 1 10 . 1 1 14 14 SER C C 14 174.951 174.951 176.952 -2.001 19673 2008 1 10 . 1 1 14 14 SER CA C 14 62.671 62.671 62.157 0.514 19673 2009 1 10 . 1 1 14 14 SER CB C 14 62.565 62.565 61.124 1.441 19673 2010 1 10 . 1 1 14 14 SER H H 14 7.923 7.923 8.185 -0.262 19673 2011 1 10 . 1 1 15 15 ILE N N 15 120.993 120.993 120.929 0.064 19673 2012 1 10 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.965 -0.200 19673 2013 1 10 . 1 1 15 15 ILE C C 15 176.935 176.935 178.146 -1.211 19673 2014 1 10 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.052 0.064 19673 2015 1 10 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.556 -0.194 19673 2016 1 10 . 1 1 15 15 ILE H H 15 7.930 7.930 7.603 0.327 19673 2017 1 10 . 1 1 16 16 LEU N N 16 118.319 118.319 122.680 -4.361 19673 2018 1 10 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.851 0.211 19673 2019 1 10 . 1 1 16 16 LEU C C 16 177.684 177.684 178.269 -0.585 19673 2020 1 10 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.739 -0.787 19673 2021 1 10 . 1 1 16 16 LEU CB C 16 41.552 41.552 41.946 -0.394 19673 2022 1 10 . 1 1 16 16 LEU H H 16 8.037 8.037 8.454 -0.417 19673 2023 1 10 . 1 1 17 17 ALA N N 17 118.970 118.970 122.743 -3.773 19673 2024 1 10 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.830 0.185 19673 2025 1 10 . 1 1 17 17 ALA C C 17 177.814 177.814 178.888 -1.074 19673 2026 1 10 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.580 -0.281 19673 2027 1 10 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.202 -0.576 19673 2028 1 10 . 1 1 17 17 ALA H H 17 8.260 8.260 8.061 0.199 19673 2029 1 10 . 1 1 18 18 ALA N N 18 118.854 118.854 120.817 -1.963 19673 2030 1 10 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.804 0.190 19673 2031 1 10 . 1 1 18 18 ALA C C 18 178.578 178.578 179.407 -0.829 19673 2032 1 10 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.259 0.040 19673 2033 1 10 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.793 -0.131 19673 2034 1 10 . 1 1 18 18 ALA H H 18 8.027 8.027 7.862 0.165 19673 2035 1 10 . 1 1 19 19 VAL N N 19 116.253 116.253 118.215 -1.962 19673 2036 1 10 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.740 -0.094 19673 2037 1 10 . 1 1 19 19 VAL C C 19 176.935 176.935 178.172 -1.237 19673 2038 1 10 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.401 1.103 19673 2039 1 10 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.970 0.049 19673 2040 1 10 . 1 1 19 19 VAL H H 19 8.259 8.259 7.817 0.442 19673 2041 1 10 . 1 1 20 20 VAL N N 20 118.427 118.427 118.858 -0.431 19673 2042 1 10 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.489 0.150 19673 2043 1 10 . 1 1 20 20 VAL C C 20 177.044 177.044 178.150 -1.106 19673 2044 1 10 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.864 0.638 19673 2045 1 10 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.674 -0.773 19673 2046 1 10 . 1 1 20 20 VAL H H 20 8.206 8.206 8.142 0.064 19673 2047 1 10 . 1 1 21 21 VAL N N 21 118.319 118.319 119.734 -1.415 19673 2048 1 10 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.603 -0.027 19673 2049 1 10 . 1 1 21 21 VAL C C 21 177.239 177.239 178.102 -0.863 19673 2050 1 10 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.933 0.174 19673 2051 1 10 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.981 -0.283 19673 2052 1 10 . 1 1 21 21 VAL H H 21 8.511 8.511 8.069 0.442 19673 2053 1 10 . 1 1 22 22 GLY N N 22 106.678 106.678 109.088 -2.410 19673 2054 1 10 . 1 1 22 22 GLY C C 22 174.192 174.192 177.204 -3.012 19673 2055 1 10 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.367 -2.038 19673 2056 1 10 . 1 1 22 22 GLY H H 22 8.665 8.665 8.705 -0.040 19673 2057 1 10 . 1 1 23 23 LEU N N 23 121.389 121.389 119.417 1.972 19673 2058 1 10 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.046 0.241 19673 2059 1 10 . 1 1 23 23 LEU C C 23 178.486 178.486 178.309 0.177 19673 2060 1 10 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.906 1.212 19673 2061 1 10 . 1 1 23 23 LEU H H 23 8.604 8.604 8.039 0.565 19673 2062 1 10 . 1 1 24 24 VAL N N 24 118.366 118.366 121.933 -3.567 19673 2063 1 10 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.842 -0.190 19673 2064 1 10 . 1 1 24 24 VAL C C 24 177.109 177.109 178.037 -0.928 19673 2065 1 10 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.526 1.465 19673 2066 1 10 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.355 -0.563 19673 2067 1 10 . 1 1 24 24 VAL H H 24 8.514 8.514 8.309 0.205 19673 2068 1 10 . 1 1 25 25 ALA N N 25 121.150 121.150 121.572 -0.422 19673 2069 1 10 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.741 0.342 19673 2070 1 10 . 1 1 25 25 ALA C C 25 178.345 178.345 179.469 -1.124 19673 2071 1 10 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.105 -0.850 19673 2072 1 10 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.534 -0.806 19673 2073 1 10 . 1 1 25 25 ALA H H 25 8.864 8.864 8.354 0.510 19673 2074 1 10 . 1 1 26 26 TYR N N 26 118.180 118.180 119.808 -1.628 19673 2075 1 10 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.412 -0.122 19673 2076 1 10 . 1 1 26 26 TYR C C 26 176.867 176.867 178.013 -1.146 19673 2077 1 10 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.105 0.874 19673 2078 1 10 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.635 0.891 19673 2079 1 10 . 1 1 26 26 TYR H H 26 8.686 8.686 8.382 0.304 19673 2080 1 10 . 1 1 27 27 ILE N N 27 118.426 118.426 120.766 -2.340 19673 2081 1 10 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.996 -0.401 19673 2082 1 10 . 1 1 27 27 ILE C C 27 177.922 177.922 178.011 -0.089 19673 2083 1 10 . 1 1 27 27 ILE CA C 27 64.740 64.740 63.863 0.877 19673 2084 1 10 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.484 -1.109 19673 2085 1 10 . 1 1 27 27 ILE H H 27 8.537 8.537 8.019 0.518 19673 2086 1 10 . 1 1 28 28 ALA N N 28 121.944 121.944 121.691 0.253 19673 2087 1 10 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.654 0.359 19673 2088 1 10 . 1 1 28 28 ALA C C 28 178.779 178.779 179.195 -0.416 19673 2089 1 10 . 1 1 28 28 ALA CA C 28 55.299 55.299 53.926 1.373 19673 2090 1 10 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.396 -0.422 19673 2091 1 10 . 1 1 28 28 ALA H H 28 8.920 8.920 7.956 0.964 19673 2092 1 10 . 1 1 29 29 PHE N N 29 117.662 117.662 120.994 -3.332 19673 2093 1 10 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.000 0.347 19673 2094 1 10 . 1 1 29 29 PHE C C 29 177.543 177.543 177.300 0.243 19673 2095 1 10 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.116 0.090 19673 2096 1 10 . 1 1 29 29 PHE CB C 29 39.066 39.066 37.972 1.094 19673 2097 1 10 . 1 1 29 29 PHE H H 29 8.868 8.868 8.572 0.296 19673 2098 1 10 . 1 1 30 30 LYS N N 30 118.519 118.519 119.927 -1.408 19673 2099 1 10 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.157 -0.163 19673 2100 1 10 . 1 1 30 30 LYS C C 30 179.148 179.148 178.167 0.981 19673 2101 1 10 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.382 -0.551 19673 2102 1 10 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.685 -1.566 19673 2103 1 10 . 1 1 30 30 LYS H H 30 8.437 8.437 7.908 0.529 19673 2104 1 10 . 1 1 31 31 ARG N N 31 118.783 118.783 119.350 -0.567 19673 2105 1 10 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.669 0.596 19673 2106 1 10 . 1 1 31 31 ARG C C 31 178.041 178.041 177.817 0.224 19673 2107 1 10 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.850 -1.227 19673 2108 1 10 . 1 1 31 31 ARG CB C 31 29.828 29.828 30.050 -0.222 19673 2109 1 10 . 1 1 31 31 ARG H H 31 8.311 8.311 7.598 0.713 19673 2110 1 10 . 1 1 32 32 TRP N N 32 121.389 121.389 120.983 0.406 19673 2111 1 10 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.176 0.339 19673 2112 1 10 . 1 1 32 32 TRP C C 32 176.935 176.935 178.578 -1.643 19673 2113 1 10 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.602 -1.175 19673 2114 1 10 . 1 1 32 32 TRP CB C 32 28.903 28.903 28.867 0.035 19673 2115 1 10 . 1 1 32 32 TRP H H 32 8.579 8.579 7.808 0.771 19673 2116 1 10 . 1 1 33 33 ASN N N 33 117.319 117.319 113.995 3.324 19673 2117 1 10 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.737 -0.219 19673 2118 1 10 . 1 1 33 33 ASN C C 33 175.770 175.770 176.669 -0.899 19673 2119 1 10 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.738 -0.619 19673 2120 1 10 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.390 0.597 19673 2121 1 10 . 1 1 33 33 ASN H H 33 8.313 8.313 8.385 -0.072 19673 2122 1 10 . 1 1 34 34 SER N N 34 114.896 114.896 116.335 -1.439 19673 2123 1 10 . 1 1 34 34 SER HA H 34 4.481 4.481 4.193 0.288 19673 2124 1 10 . 1 1 34 34 SER C C 34 174.852 174.852 176.474 -1.622 19673 2125 1 10 . 1 1 34 34 SER CA C 34 59.319 59.319 61.381 -2.062 19673 2126 1 10 . 1 1 34 34 SER CB C 34 63.433 63.433 63.049 0.384 19673 2127 1 10 . 1 1 34 34 SER H H 34 7.952 7.952 7.357 0.595 19673 2128 1 10 . 1 1 35 35 SER N N 35 117.172 117.172 116.938 0.234 19673 2129 1 10 . 1 1 35 35 SER HA H 35 4.518 4.518 4.307 0.211 19673 2130 1 10 . 1 1 35 35 SER C C 35 174.485 174.485 175.839 -1.354 19673 2131 1 10 . 1 1 35 35 SER CA C 35 58.833 58.833 60.945 -2.112 19673 2132 1 10 . 1 1 35 35 SER CB C 35 63.445 63.445 62.975 0.470 19673 2133 1 10 . 1 1 35 35 SER H H 35 8.094 8.094 8.431 -0.337 19673 2134 1 10 . 1 1 36 36 LYS N N 36 122.146 122.146 120.501 1.645 19673 2135 1 10 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.106 0.268 19673 2136 1 10 . 1 1 36 36 LYS C C 36 176.339 176.339 176.239 0.100 19673 2137 1 10 . 1 1 36 36 LYS CA C 36 56.197 56.197 58.391 -2.194 19673 2138 1 10 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.952 -0.595 19673 2139 1 10 . 1 1 36 36 LYS H H 36 8.011 8.011 7.667 0.344 19673 2140 1 10 . 1 1 37 37 GLN N N 37 120.055 120.055 117.516 2.539 19673 2141 1 10 . 1 1 37 37 GLN HA H 37 4.418 4.418 3.914 0.504 19673 2142 1 10 . 1 1 37 37 GLN C C 37 175.424 175.424 174.954 0.470 19673 2143 1 10 . 1 1 37 37 GLN CA C 37 55.646 55.646 56.983 -1.337 19673 2144 1 10 . 1 1 37 37 GLN CB C 37 29.129 29.129 28.574 0.555 19673 2145 1 10 . 1 1 37 37 GLN H H 37 8.177 8.177 7.593 0.584 19673 2146 1 10 . 1 1 38 38 ASN N N 38 119.734 119.734 116.300 3.434 19673 2147 1 10 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.372 0.436 19673 2148 1 10 . 1 1 38 38 ASN C C 38 174.550 174.550 173.808 0.742 19673 2149 1 10 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.696 -0.656 19673 2150 1 10 . 1 1 38 38 ASN H H 38 8.379 8.379 8.632 -0.253 19673 2151 1 10 . 1 1 39 39 LYS N N 39 121.900 121.900 119.961 1.939 19673 2152 1 10 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.266 0.184 19673 2153 1 10 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.414 -0.283 19673 2154 1 10 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.222 -0.447 19673 2155 1 10 . 1 1 39 39 LYS H H 39 8.220 8.220 8.038 0.182 19673 2156 1 10 . 1 1 40 40 GLN N N 40 126.738 126.738 119.813 6.925 19673 2157 1 10 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.382 -0.095 19673 2158 1 10 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.906 1.262 19673 2159 1 10 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.140 1.119 19673 2160 1 10 . 1 1 40 40 GLN H H 40 8.004 8.004 8.289 -0.285 19673 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 37 2.886 -0.066 2.925 19673 2 1 1 "Average Difference" HA 41 0.338 -0.183 0.288 19673 3 1 1 "Average Difference" C 32 1.188 0.574 1.056 19673 4 1 1 "Average Difference" CA 39 1.359 0.221 1.359 19673 5 1 1 "Average Difference" CB 34 2.791 -0.392 2.805 19673 6 1 1 "Average Difference" HN 37 0.477 -0.247 0.414 19673 7 1 2 "Average Difference" N 37 2.251 0.256 2.267 19673 8 1 2 "Average Difference" HA 41 0.278 -0.120 0.254 19673 9 1 2 "Average Difference" C 32 1.067 0.588 0.904 19673 10 1 2 "Average Difference" CA 39 1.296 0.254 1.287 19673 11 1 2 "Average Difference" CB 34 2.734 -0.231 2.765 19673 12 1 2 "Average Difference" HN 37 0.550 -0.359 0.422 19673 13 1 3 "Average Difference" N 37 2.482 0.496 2.466 19673 14 1 3 "Average Difference" HA 41 0.277 -0.135 0.245 19673 15 1 3 "Average Difference" C 32 1.107 0.562 0.968 19673 16 1 3 "Average Difference" CA 39 1.400 0.420 1.353 19673 17 1 3 "Average Difference" CB 34 2.776 -0.317 2.799 19673 18 1 3 "Average Difference" HN 37 0.514 -0.342 0.389 19673 19 1 4 "Average Difference" N 37 2.757 0.142 2.791 19673 20 1 4 "Average Difference" HA 41 0.299 -0.125 0.275 19673 21 1 4 "Average Difference" C 32 1.045 0.456 0.955 19673 22 1 4 "Average Difference" CA 39 1.181 0.001 1.197 19673 23 1 4 "Average Difference" CB 34 2.880 -0.231 2.914 19673 24 1 4 "Average Difference" HN 37 0.545 -0.334 0.436 19673 25 1 5 "Average Difference" N 37 2.490 0.649 2.437 19673 26 1 5 "Average Difference" HA 41 0.244 -0.112 0.220 19673 27 1 5 "Average Difference" C 32 1.152 0.502 1.053 19673 28 1 5 "Average Difference" CA 39 1.376 0.305 1.360 19673 29 1 5 "Average Difference" CB 34 2.776 -0.457 2.779 19673 30 1 5 "Average Difference" HN 37 0.474 -0.224 0.424 19673 31 1 6 "Average Difference" N 37 2.802 0.312 2.823 19673 32 1 6 "Average Difference" HA 41 0.282 -0.146 0.244 19673 33 1 6 "Average Difference" C 32 1.152 0.560 1.022 19673 34 1 6 "Average Difference" CA 39 1.203 0.130 1.211 19673 35 1 6 "Average Difference" CB 34 2.916 -0.418 2.929 19673 36 1 6 "Average Difference" HN 37 0.519 -0.320 0.413 19673 37 1 7 "Average Difference" N 37 2.319 0.311 2.330 19673 38 1 7 "Average Difference" HA 41 0.254 -0.151 0.207 19673 39 1 7 "Average Difference" C 32 1.093 0.477 0.999 19673 40 1 7 "Average Difference" CA 39 1.424 0.306 1.409 19673 41 1 7 "Average Difference" CB 34 2.732 -0.202 2.765 19673 42 1 7 "Average Difference" HN 37 0.470 -0.282 0.382 19673 43 1 8 "Average Difference" N 37 2.421 0.103 2.452 19673 44 1 8 "Average Difference" HA 41 0.284 -0.134 0.254 19673 45 1 8 "Average Difference" C 32 1.043 0.493 0.934 19673 46 1 8 "Average Difference" CA 39 1.267 0.092 1.280 19673 47 1 8 "Average Difference" CB 34 2.874 -0.255 2.906 19673 48 1 8 "Average Difference" HN 37 0.541 -0.335 0.431 19673 49 1 9 "Average Difference" N 37 2.657 0.128 2.690 19673 50 1 9 "Average Difference" HA 41 0.251 -0.085 0.239 19673 51 1 9 "Average Difference" C 32 1.107 0.379 1.057 19673 52 1 9 "Average Difference" CA 39 1.440 0.311 1.424 19673 53 1 9 "Average Difference" CB 34 2.753 -0.087 2.793 19673 54 1 9 "Average Difference" HN 37 0.476 -0.300 0.375 19673 55 1 10 "Average Difference" N 37 2.644 0.284 2.665 19673 56 1 10 "Average Difference" HA 41 0.280 -0.147 0.242 19673 57 1 10 "Average Difference" C 32 1.133 0.575 0.992 19673 58 1 10 "Average Difference" CA 39 1.288 0.331 1.261 19673 59 1 10 "Average Difference" CB 34 2.750 -0.289 2.776 19673 60 1 10 "Average Difference" HN 37 0.455 -0.252 0.384 19673 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 19673 _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 ARG N N 2 122.743 122.743 120.417 2.326 19673 2 1 . 1 1 2 2 ARG HA H 2 4.512 4.512 4.568 -0.056 19673 3 1 . 1 1 2 2 ARG C C 2 176.305 176.305 175.642 0.664 19673 4 1 . 1 1 2 2 ARG CA C 2 56.127 56.127 55.669 0.458 19673 5 1 . 1 1 2 2 ARG CB C 2 30.716 30.716 31.269 -0.553 19673 6 1 . 1 1 2 2 ARG H H 2 8.481 8.481 8.062 0.419 19673 7 1 . 1 1 3 3 GLY N N 3 109.588 109.588 111.011 -1.423 19673 8 1 . 1 1 3 3 GLY C C 3 174.092 174.092 174.939 -0.846 19673 9 1 . 1 1 3 3 GLY CA C 3 45.169 45.169 45.140 0.029 19673 10 1 . 1 1 3 3 GLY H H 3 8.576 8.576 8.521 0.055 19673 11 1 . 1 1 4 4 THR N N 4 113.251 113.251 114.705 -1.453 19673 12 1 . 1 1 4 4 THR HA H 4 4.544 4.544 4.229 0.315 19673 13 1 . 1 1 4 4 THR C C 4 174.864 174.864 173.919 0.945 19673 14 1 . 1 1 4 4 THR CA C 4 61.955 61.955 62.062 -0.107 19673 15 1 . 1 1 4 4 THR H H 4 8.155 8.155 8.372 -0.217 19673 16 1 . 1 1 5 5 THR N N 5 114.461 114.461 113.260 1.201 19673 17 1 . 1 1 5 5 THR HA H 5 4.454 4.454 4.067 0.387 19673 18 1 . 1 1 5 5 THR C C 5 174.181 174.181 174.393 -0.212 19673 19 1 . 1 1 5 5 THR CA C 5 62.062 62.062 62.828 -0.766 19673 20 1 . 1 1 5 5 THR CB C 5 69.306 69.306 68.538 0.768 19673 21 1 . 1 1 5 5 THR H H 5 8.243 8.243 7.965 0.278 19673 22 1 . 1 1 6 6 ASP N N 6 121.828 121.828 120.315 1.513 19673 23 1 . 1 1 6 6 ASP HA H 6 4.678 4.678 4.593 0.085 19673 24 1 . 1 1 6 6 ASP C C 6 175.797 175.797 175.513 0.283 19673 25 1 . 1 1 6 6 ASP CA C 6 54.813 54.813 54.108 0.705 19673 26 1 . 1 1 6 6 ASP CB C 6 41.012 41.012 41.562 -0.550 19673 27 1 . 1 1 6 6 ASP H H 6 8.325 8.325 7.938 0.387 19673 28 1 . 1 1 7 7 ASN N N 7 117.808 117.808 120.564 -2.756 19673 29 1 . 1 1 7 7 ASN HA H 7 4.828 4.828 4.554 0.274 19673 30 1 . 1 1 7 7 ASN C C 7 174.864 174.864 174.734 0.130 19673 31 1 . 1 1 7 7 ASN CA C 7 53.127 53.127 53.909 -0.783 19673 32 1 . 1 1 7 7 ASN CB C 7 38.696 38.696 38.138 0.558 19673 33 1 . 1 1 7 7 ASN H H 7 8.267 8.267 8.539 -0.272 19673 34 1 . 1 1 8 8 LEU N N 8 121.126 121.126 118.745 2.381 19673 35 1 . 1 1 8 8 LEU HA H 8 4.330 4.330 4.058 0.272 19673 36 1 . 1 1 8 8 LEU CA C 8 55.819 55.819 55.846 -0.027 19673 37 1 . 1 1 8 8 LEU CB C 8 42.404 42.404 42.192 0.212 19673 38 1 . 1 1 8 8 LEU H H 8 8.452 8.452 8.410 0.042 19673 39 1 . 1 1 9 9 ILE N N 9 119.437 119.437 117.958 1.479 19673 40 1 . 1 1 9 9 ILE HA H 9 4.186 4.186 4.223 -0.037 19673 41 1 . 1 1 9 9 ILE CA C 9 62.841 62.841 62.336 0.505 19673 42 1 . 1 1 9 9 ILE CB C 9 35.767 35.767 38.585 -2.818 19673 43 1 . 1 1 9 9 ILE H H 9 8.250 8.250 7.691 0.559 19673 44 1 . 1 1 10 10 PRO HA H 10 4.380 4.380 4.137 0.243 19673 45 1 . 1 1 10 10 PRO CA C 10 64.946 64.946 68.302 -3.356 19673 46 1 . 1 1 10 10 PRO CB C 10 31.591 31.591 29.982 1.609 19673 47 1 . 1 1 11 11 VAL HA H 11 3.836 3.836 4.023 -0.187 19673 48 1 . 1 1 11 11 VAL CA C 11 65.990 65.990 64.356 1.634 19673 49 1 . 1 1 11 11 VAL CB C 11 31.136 31.136 30.910 0.226 19673 50 1 . 1 1 12 12 TYR N N 12 117.971 117.971 119.275 -1.304 19673 51 1 . 1 1 12 12 TYR HA H 12 4.430 4.430 4.135 0.295 19673 52 1 . 1 1 12 12 TYR CA C 12 59.774 59.774 61.494 -1.720 19673 53 1 . 1 1 12 12 TYR CB C 12 37.035 37.035 38.293 -1.258 19673 54 1 . 1 1 12 12 TYR H H 12 8.341 8.341 8.073 0.268 19673 55 1 . 1 1 13 13 CYS N N 13 115.494 115.494 118.016 -2.522 19673 56 1 . 1 1 13 13 CYS HA H 13 4.361 4.361 4.160 0.201 19673 57 1 . 1 1 13 13 CYS C C 13 175.298 175.298 177.157 -1.860 19673 58 1 . 1 1 13 13 CYS CA C 13 59.085 59.085 62.585 -3.500 19673 59 1 . 1 1 13 13 CYS CB C 13 41.529 41.529 26.289 15.240 19673 60 1 . 1 1 13 13 CYS H H 13 8.681 8.681 7.562 1.119 19673 61 1 . 1 1 14 14 SER N N 14 116.691 116.691 114.918 1.773 19673 62 1 . 1 1 14 14 SER HA H 14 4.200 4.200 4.181 0.019 19673 63 1 . 1 1 14 14 SER C C 14 174.951 174.951 177.025 -2.075 19673 64 1 . 1 1 14 14 SER CA C 14 62.671 62.671 61.320 1.351 19673 65 1 . 1 1 14 14 SER CB C 14 62.565 62.565 61.073 1.492 19673 66 1 . 1 1 14 14 SER H H 14 7.923 7.923 8.270 -0.347 19673 67 1 . 1 1 15 15 ILE N N 15 120.993 120.993 121.666 -0.673 19673 68 1 . 1 1 15 15 ILE HA H 15 3.765 3.765 3.959 -0.194 19673 69 1 . 1 1 15 15 ILE C C 15 176.935 176.935 178.017 -1.082 19673 70 1 . 1 1 15 15 ILE CA C 15 65.116 65.116 65.404 -0.288 19673 71 1 . 1 1 15 15 ILE CB C 15 37.362 37.362 37.875 -0.513 19673 72 1 . 1 1 15 15 ILE H H 15 7.930 7.930 7.727 0.203 19673 73 1 . 1 1 16 16 LEU N N 16 118.319 118.319 123.036 -4.716 19673 74 1 . 1 1 16 16 LEU HA H 16 4.062 4.062 3.888 0.174 19673 75 1 . 1 1 16 16 LEU C C 16 177.684 177.684 178.315 -0.631 19673 76 1 . 1 1 16 16 LEU CA C 16 57.952 57.952 58.586 -0.634 19673 77 1 . 1 1 16 16 LEU CB C 16 41.552 41.552 42.014 -0.462 19673 78 1 . 1 1 16 16 LEU H H 16 8.037 8.037 8.288 -0.251 19673 79 1 . 1 1 17 17 ALA N N 17 118.970 118.970 122.612 -3.642 19673 80 1 . 1 1 17 17 ALA HA H 17 4.015 4.015 3.889 0.126 19673 81 1 . 1 1 17 17 ALA C C 17 177.814 177.814 178.788 -0.974 19673 82 1 . 1 1 17 17 ALA CA C 17 55.299 55.299 55.682 -0.383 19673 83 1 . 1 1 17 17 ALA CB C 17 17.626 17.626 18.701 -1.075 19673 84 1 . 1 1 17 17 ALA H H 17 8.260 8.260 8.236 0.024 19673 85 1 . 1 1 18 18 ALA N N 18 118.854 118.854 121.228 -2.374 19673 86 1 . 1 1 18 18 ALA HA H 18 3.994 3.994 3.813 0.181 19673 87 1 . 1 1 18 18 ALA C C 18 178.578 178.578 179.047 -0.470 19673 88 1 . 1 1 18 18 ALA CA C 18 55.299 55.299 55.202 0.097 19673 89 1 . 1 1 18 18 ALA CB C 18 17.662 17.662 17.907 -0.245 19673 90 1 . 1 1 18 18 ALA H H 18 8.027 8.027 7.784 0.243 19673 91 1 . 1 1 19 19 VAL N N 19 116.253 116.253 118.217 -1.964 19673 92 1 . 1 1 19 19 VAL HA H 19 3.646 3.646 3.765 -0.119 19673 93 1 . 1 1 19 19 VAL C C 19 176.935 176.935 178.103 -1.168 19673 94 1 . 1 1 19 19 VAL CA C 19 66.504 66.504 65.428 1.076 19673 95 1 . 1 1 19 19 VAL CB C 19 31.019 31.019 30.968 0.051 19673 96 1 . 1 1 19 19 VAL H H 19 8.259 8.259 7.765 0.494 19673 97 1 . 1 1 20 20 VAL N N 20 118.427 118.427 118.666 -0.239 19673 98 1 . 1 1 20 20 VAL HA H 20 3.639 3.639 3.544 0.095 19673 99 1 . 1 1 20 20 VAL C C 20 177.044 177.044 178.297 -1.253 19673 100 1 . 1 1 20 20 VAL CA C 20 67.502 67.502 66.491 1.011 19673 101 1 . 1 1 20 20 VAL CB C 20 30.901 30.901 31.420 -0.519 19673 102 1 . 1 1 20 20 VAL H H 20 8.206 8.206 7.732 0.474 19673 103 1 . 1 1 21 21 VAL N N 21 118.319 118.319 119.766 -1.447 19673 104 1 . 1 1 21 21 VAL HA H 21 3.576 3.576 3.628 -0.052 19673 105 1 . 1 1 21 21 VAL C C 21 177.239 177.239 178.050 -0.811 19673 106 1 . 1 1 21 21 VAL CA C 21 67.107 67.107 66.575 0.532 19673 107 1 . 1 1 21 21 VAL CB C 21 30.698 30.698 30.927 -0.229 19673 108 1 . 1 1 21 21 VAL H H 21 8.511 8.511 7.975 0.536 19673 109 1 . 1 1 22 22 GLY N N 22 106.678 106.678 108.862 -2.184 19673 110 1 . 1 1 22 22 GLY C C 22 174.192 174.192 177.195 -3.003 19673 111 1 . 1 1 22 22 GLY CA C 22 47.329 47.329 49.704 -2.375 19673 112 1 . 1 1 22 22 GLY H H 22 8.665 8.665 8.662 0.003 19673 113 1 . 1 1 23 23 LEU N N 23 121.389 121.389 119.342 2.047 19673 114 1 . 1 1 23 23 LEU HA H 23 4.287 4.287 4.016 0.271 19673 115 1 . 1 1 23 23 LEU C C 23 178.486 178.486 178.173 0.313 19673 116 1 . 1 1 23 23 LEU CA C 23 58.118 58.118 56.964 1.154 19673 117 1 . 1 1 23 23 LEU H H 23 8.604 8.604 8.026 0.578 19673 118 1 . 1 1 24 24 VAL N N 24 118.366 118.366 121.777 -3.411 19673 119 1 . 1 1 24 24 VAL HA H 24 3.652 3.652 3.828 -0.176 19673 120 1 . 1 1 24 24 VAL C C 24 177.109 177.109 178.073 -0.964 19673 121 1 . 1 1 24 24 VAL CA C 24 66.991 66.991 65.324 1.667 19673 122 1 . 1 1 24 24 VAL CB C 24 30.792 30.792 31.658 -0.866 19673 123 1 . 1 1 24 24 VAL H H 24 8.514 8.514 7.903 0.611 19673 124 1 . 1 1 25 25 ALA N N 25 121.150 121.150 121.106 0.044 19673 125 1 . 1 1 25 25 ALA HA H 25 4.083 4.083 3.781 0.302 19673 126 1 . 1 1 25 25 ALA C C 25 178.345 178.345 179.574 -1.229 19673 127 1 . 1 1 25 25 ALA CA C 25 55.254 55.254 56.256 -1.002 19673 128 1 . 1 1 25 25 ALA CB C 25 17.728 17.728 18.197 -0.469 19673 129 1 . 1 1 25 25 ALA H H 25 8.864 8.864 8.191 0.673 19673 130 1 . 1 1 26 26 TYR N N 26 118.180 118.180 120.071 -1.891 19673 131 1 . 1 1 26 26 TYR HA H 26 4.290 4.290 4.415 -0.125 19673 132 1 . 1 1 26 26 TYR C C 26 176.867 176.867 177.959 -1.092 19673 133 1 . 1 1 26 26 TYR CA C 26 61.979 61.979 61.044 0.935 19673 134 1 . 1 1 26 26 TYR CB C 26 38.526 38.526 37.710 0.816 19673 135 1 . 1 1 26 26 TYR H H 26 8.686 8.686 8.126 0.560 19673 136 1 . 1 1 27 27 ILE N N 27 118.426 118.426 120.750 -2.324 19673 137 1 . 1 1 27 27 ILE HA H 27 3.595 3.595 3.963 -0.368 19673 138 1 . 1 1 27 27 ILE C C 27 177.922 177.922 177.926 -0.004 19673 139 1 . 1 1 27 27 ILE CA C 27 64.740 64.740 64.353 0.387 19673 140 1 . 1 1 27 27 ILE CB C 27 37.375 37.375 38.395 -1.020 19673 141 1 . 1 1 27 27 ILE H H 27 8.537 8.537 8.055 0.482 19673 142 1 . 1 1 28 28 ALA N N 28 121.944 121.944 121.492 0.452 19673 143 1 . 1 1 28 28 ALA HA H 28 4.013 4.013 3.643 0.370 19673 144 1 . 1 1 28 28 ALA C C 28 178.779 178.779 179.017 -0.237 19673 145 1 . 1 1 28 28 ALA CA C 28 55.299 55.299 55.131 0.168 19673 146 1 . 1 1 28 28 ALA CB C 28 17.974 17.974 18.822 -0.848 19673 147 1 . 1 1 28 28 ALA H H 28 8.920 8.920 8.022 0.898 19673 148 1 . 1 1 29 29 PHE N N 29 117.662 117.662 120.432 -2.770 19673 149 1 . 1 1 29 29 PHE HA H 29 4.347 4.347 4.163 0.184 19673 150 1 . 1 1 29 29 PHE C C 29 177.543 177.543 177.540 0.003 19673 151 1 . 1 1 29 29 PHE CA C 29 61.206 61.206 61.210 -0.004 19673 152 1 . 1 1 29 29 PHE CB C 29 39.066 39.066 38.081 0.985 19673 153 1 . 1 1 29 29 PHE H H 29 8.868 8.868 8.354 0.514 19673 154 1 . 1 1 30 30 LYS N N 30 118.519 118.519 119.256 -0.737 19673 155 1 . 1 1 30 30 LYS HA H 30 3.994 3.994 4.078 -0.084 19673 156 1 . 1 1 30 30 LYS C C 30 179.148 179.148 178.312 0.836 19673 157 1 . 1 1 30 30 LYS CA C 30 57.831 57.831 58.805 -0.974 19673 158 1 . 1 1 30 30 LYS CB C 30 31.119 31.119 32.559 -1.440 19673 159 1 . 1 1 30 30 LYS H H 30 8.437 8.437 7.934 0.503 19673 160 1 . 1 1 31 31 ARG N N 31 118.783 118.783 118.941 -0.158 19673 161 1 . 1 1 31 31 ARG HA H 31 4.265 4.265 3.765 0.500 19673 162 1 . 1 1 31 31 ARG C C 31 178.041 178.041 178.360 -0.319 19673 163 1 . 1 1 31 31 ARG CA C 31 57.623 57.623 58.818 -1.195 19673 164 1 . 1 1 31 31 ARG CB C 31 29.828 29.828 29.911 -0.083 19673 165 1 . 1 1 31 31 ARG H H 31 8.311 8.311 7.567 0.744 19673 166 1 . 1 1 32 32 TRP N N 32 121.389 121.389 119.998 1.391 19673 167 1 . 1 1 32 32 TRP HA H 32 4.515 4.515 4.290 0.225 19673 168 1 . 1 1 32 32 TRP C C 32 176.935 176.935 178.464 -1.530 19673 169 1 . 1 1 32 32 TRP CA C 32 59.427 59.427 60.138 -0.711 19673 170 1 . 1 1 32 32 TRP CB C 32 28.903 28.903 29.010 -0.107 19673 171 1 . 1 1 32 32 TRP H H 32 8.579 8.579 7.762 0.817 19673 172 1 . 1 1 33 33 ASN N N 33 117.319 117.319 114.605 2.714 19673 173 1 . 1 1 33 33 ASN HA H 33 4.518 4.518 4.707 -0.189 19673 174 1 . 1 1 33 33 ASN C C 33 175.770 175.770 176.239 -0.469 19673 175 1 . 1 1 33 33 ASN CA C 33 54.119 54.119 54.137 -0.018 19673 176 1 . 1 1 33 33 ASN CB C 33 38.987 38.987 38.535 0.452 19673 177 1 . 1 1 33 33 ASN H H 33 8.313 8.313 8.247 0.066 19673 178 1 . 1 1 34 34 SER N N 34 114.896 114.896 114.226 0.670 19673 179 1 . 1 1 34 34 SER HA H 34 4.481 4.481 4.246 0.235 19673 180 1 . 1 1 34 34 SER C C 34 174.852 174.852 175.409 -0.557 19673 181 1 . 1 1 34 34 SER CA C 34 59.319 59.319 60.305 -0.986 19673 182 1 . 1 1 34 34 SER CB C 34 63.433 63.433 63.549 -0.116 19673 183 1 . 1 1 34 34 SER H H 34 7.952 7.952 7.592 0.360 19673 184 1 . 1 1 35 35 SER N N 35 117.172 117.172 112.599 4.573 19673 185 1 . 1 1 35 35 SER HA H 35 4.518 4.518 4.336 0.182 19673 186 1 . 1 1 35 35 SER C C 35 174.485 174.485 174.444 0.041 19673 187 1 . 1 1 35 35 SER CA C 35 58.833 58.833 59.393 -0.560 19673 188 1 . 1 1 35 35 SER CB C 35 63.445 63.445 63.293 0.152 19673 189 1 . 1 1 35 35 SER H H 35 8.094 8.094 7.770 0.323 19673 190 1 . 1 1 36 36 LYS N N 36 122.146 122.146 122.448 -0.302 19673 191 1 . 1 1 36 36 LYS HA H 36 4.374 4.374 4.065 0.309 19673 192 1 . 1 1 36 36 LYS C C 36 176.339 176.339 176.075 0.264 19673 193 1 . 1 1 36 36 LYS CA C 36 56.197 56.197 57.828 -1.631 19673 194 1 . 1 1 36 36 LYS CB C 36 32.357 32.357 32.590 -0.233 19673 195 1 . 1 1 36 36 LYS H H 36 8.011 8.011 7.738 0.273 19673 196 1 . 1 1 37 37 GLN N N 37 120.055 120.055 120.862 -0.807 19673 197 1 . 1 1 37 37 GLN HA H 37 4.418 4.418 4.262 0.156 19673 198 1 . 1 1 37 37 GLN C C 37 175.424 175.424 174.993 0.431 19673 199 1 . 1 1 37 37 GLN CA C 37 55.646 55.646 55.992 -0.346 19673 200 1 . 1 1 37 37 GLN CB C 37 29.129 29.129 29.126 0.003 19673 201 1 . 1 1 37 37 GLN H H 37 8.177 8.177 8.076 0.102 19673 202 1 . 1 1 38 38 ASN N N 38 119.734 119.734 118.897 0.837 19673 203 1 . 1 1 38 38 ASN HA H 38 4.808 4.808 4.674 0.134 19673 204 1 . 1 1 38 38 ASN C C 38 174.550 174.550 174.206 0.344 19673 205 1 . 1 1 38 38 ASN CA C 38 53.040 53.040 53.475 -0.435 19673 206 1 . 1 1 38 38 ASN H H 38 8.379 8.379 8.493 -0.114 19673 207 1 . 1 1 39 39 LYS N N 39 121.900 121.900 121.534 0.366 19673 208 1 . 1 1 39 39 LYS HA H 39 4.450 4.450 4.313 0.137 19673 209 1 . 1 1 39 39 LYS CA C 39 56.131 56.131 56.616 -0.486 19673 210 1 . 1 1 39 39 LYS CB C 39 32.775 32.775 33.150 -0.375 19673 211 1 . 1 1 39 39 LYS H H 39 8.220 8.220 8.276 -0.056 19673 212 1 . 1 1 40 40 GLN N N 40 126.738 126.738 121.082 5.656 19673 213 1 . 1 1 40 40 GLN HA H 40 4.287 4.287 4.378 -0.091 19673 214 1 . 1 1 40 40 GLN CA C 40 57.168 57.168 55.835 1.333 19673 215 1 . 1 1 40 40 GLN CB C 40 30.260 30.260 29.254 1.006 19673 216 1 . 1 1 40 40 GLN H H 40 8.004 8.004 8.275 -0.271 19673 stop_ save_