data_19732 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19732 _Entry.PDB_ID 2MJM 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 19732 _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 PRO HA H 2 4.410 4.410 4.575 -0.165 19732 2 1 1 . 1 1 2 2 PRO C C 2 176.929 176.929 176.134 0.795 19732 3 1 1 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.904 0.237 19732 4 1 1 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.123 0.111 19732 5 1 1 . 1 1 3 3 LEU N N 3 121.746 121.746 123.464 -1.718 19732 6 1 1 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.596 -0.319 19732 7 1 1 . 1 1 3 3 LEU C C 3 177.789 177.789 177.615 0.174 19732 8 1 1 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.644 0.723 19732 9 1 1 . 1 1 3 3 LEU CB C 3 42.157 42.157 43.221 -1.063 19732 10 1 1 . 1 1 3 3 LEU H H 3 8.420 8.420 8.377 0.043 19732 11 1 1 . 1 1 4 4 GLY N N 4 109.400 109.400 112.382 -2.982 19732 12 1 1 . 1 1 4 4 GLY C C 4 174.208 174.208 174.467 -0.259 19732 13 1 1 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.820 -0.565 19732 14 1 1 . 1 1 4 4 GLY H H 4 8.326 8.326 9.006 -0.680 19732 15 1 1 . 1 1 5 5 SER N N 5 115.339 115.339 114.373 0.966 19732 16 1 1 . 1 1 5 5 SER HA H 5 4.363 4.363 4.619 -0.256 19732 17 1 1 . 1 1 5 5 SER C C 5 174.549 174.549 173.408 1.141 19732 18 1 1 . 1 1 5 5 SER CA C 5 58.443 58.443 57.171 1.272 19732 19 1 1 . 1 1 5 5 SER CB C 5 63.773 63.773 65.686 -1.913 19732 20 1 1 . 1 1 5 5 SER H H 5 8.098 8.098 7.560 0.538 19732 21 1 1 . 1 1 6 6 MET N N 6 121.404 121.404 119.813 1.591 19732 22 1 1 . 1 1 6 6 MET HA H 6 4.427 4.427 4.797 -0.370 19732 23 1 1 . 1 1 6 6 MET C C 6 175.724 175.724 175.090 0.634 19732 24 1 1 . 1 1 6 6 MET CA C 6 55.612 55.612 55.463 0.149 19732 25 1 1 . 1 1 6 6 MET CB C 6 32.874 32.874 33.176 -0.302 19732 26 1 1 . 1 1 6 6 MET H H 6 8.326 8.326 8.425 -0.099 19732 27 1 1 . 1 1 7 7 ASP N N 7 120.769 120.769 120.422 0.347 19732 28 1 1 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.557 -0.040 19732 29 1 1 . 1 1 7 7 ASP C C 7 176.111 176.111 176.651 -0.540 19732 30 1 1 . 1 1 7 7 ASP CA C 7 54.136 54.136 55.401 -1.265 19732 31 1 1 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.565 1.720 19732 32 1 1 . 1 1 7 7 ASP H H 7 8.114 8.114 8.723 -0.609 19732 33 1 1 . 1 1 8 8 ALA N N 8 123.543 123.543 122.585 0.958 19732 34 1 1 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.111 -0.052 19732 35 1 1 . 1 1 8 8 ALA C C 8 178.788 178.788 178.526 0.262 19732 36 1 1 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.139 -0.208 19732 37 1 1 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.849 0.078 19732 38 1 1 . 1 1 8 8 ALA H H 8 8.248 8.248 7.641 0.607 19732 39 1 1 . 1 1 9 9 GLU N N 9 118.034 118.034 118.175 -0.141 19732 40 1 1 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.128 -0.002 19732 41 1 1 . 1 1 9 9 GLU C C 9 177.485 177.485 178.939 -1.454 19732 42 1 1 . 1 1 9 9 GLU CA C 9 57.840 57.840 58.947 -1.107 19732 43 1 1 . 1 1 9 9 GLU CB C 9 29.602 29.602 29.007 0.595 19732 44 1 1 . 1 1 9 9 GLU H H 9 8.255 8.255 7.922 0.333 19732 45 1 1 . 1 1 10 10 SER N N 10 115.260 115.260 114.649 0.611 19732 46 1 1 . 1 1 10 10 SER HA H 10 4.232 4.232 4.289 -0.057 19732 47 1 1 . 1 1 10 10 SER C C 10 175.552 175.552 174.868 0.684 19732 48 1 1 . 1 1 10 10 SER CA C 10 60.015 60.015 60.470 -0.455 19732 49 1 1 . 1 1 10 10 SER CB C 10 63.225 63.225 63.163 0.062 19732 50 1 1 . 1 1 10 10 SER H H 10 7.992 7.992 7.748 0.244 19732 51 1 1 . 1 1 11 11 ILE N N 11 121.199 121.199 120.807 0.392 19732 52 1 1 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.076 -0.186 19732 53 1 1 . 1 1 11 11 ILE C C 11 176.411 176.411 177.529 -1.118 19732 54 1 1 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.439 0.311 19732 55 1 1 . 1 1 11 11 ILE CB C 11 38.273 38.273 37.692 0.581 19732 56 1 1 . 1 1 11 11 ILE H H 11 7.729 7.729 7.081 0.648 19732 57 1 1 . 1 1 12 12 ARG N N 12 121.248 121.248 118.818 2.430 19732 58 1 1 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.282 -0.169 19732 59 1 1 . 1 1 12 12 ARG C C 12 176.970 176.970 176.247 0.723 19732 60 1 1 . 1 1 12 12 ARG CA C 12 57.077 57.077 54.846 2.231 19732 61 1 1 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.058 0.438 19732 62 1 1 . 1 1 12 12 ARG H H 12 7.853 7.853 7.810 0.043 19732 63 1 1 . 1 1 13 13 LEU N N 13 120.701 120.701 122.008 -1.307 19732 64 1 1 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.052 0.166 19732 65 1 1 . 1 1 13 13 LEU C C 13 177.620 177.620 176.065 1.555 19732 66 1 1 . 1 1 13 13 LEU CA C 13 55.297 55.297 56.286 -0.989 19732 67 1 1 . 1 1 13 13 LEU CB C 13 42.174 42.174 41.492 0.682 19732 68 1 1 . 1 1 13 13 LEU H H 13 8.020 8.020 7.434 0.586 19732 69 1 1 . 1 1 16 16 GLU N N 16 120.417 120.417 121.390 -0.973 19732 70 1 1 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.059 0.066 19732 71 1 1 . 1 1 16 16 GLU C C 16 178.929 178.929 178.916 0.013 19732 72 1 1 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.586 -0.981 19732 73 1 1 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.352 0.039 19732 74 1 1 . 1 1 16 16 GLU H H 16 8.465 8.465 8.943 -0.478 19732 75 1 1 . 1 1 17 17 ASN N N 17 118.855 118.855 118.844 0.011 19732 76 1 1 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.584 0.035 19732 77 1 1 . 1 1 17 17 ASN C C 17 177.835 177.835 177.972 -0.137 19732 78 1 1 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.365 -0.827 19732 79 1 1 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.031 0.180 19732 80 1 1 . 1 1 17 17 ASN H H 17 8.428 8.428 8.007 0.421 19732 81 1 1 . 1 1 18 18 LEU N N 18 123.972 123.972 121.474 2.498 19732 82 1 1 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.174 0.046 19732 83 1 1 . 1 1 18 18 LEU C C 18 178.248 178.248 178.781 -0.533 19732 84 1 1 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.108 -0.223 19732 85 1 1 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.694 0.003 19732 86 1 1 . 1 1 18 18 LEU H H 18 8.208 8.208 7.981 0.227 19732 87 1 1 . 1 1 19 19 TRP N N 19 119.362 119.362 121.164 -1.802 19732 88 1 1 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.249 -0.083 19732 89 1 1 . 1 1 19 19 TRP C C 19 177.617 177.617 177.806 -0.189 19732 90 1 1 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.794 0.102 19732 91 1 1 . 1 1 19 19 TRP CB C 19 29.427 29.427 30.032 -0.605 19732 92 1 1 . 1 1 19 19 TRP H H 19 8.316 8.316 8.959 -0.643 19732 93 1 1 . 1 1 20 20 ALA N N 20 118.581 118.581 121.908 -3.327 19732 94 1 1 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.958 0.092 19732 95 1 1 . 1 1 20 20 ALA C C 20 180.422 180.422 179.218 1.204 19732 96 1 1 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.256 -0.092 19732 97 1 1 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.937 0.103 19732 98 1 1 . 1 1 20 20 ALA H H 20 7.957 7.957 8.143 -0.186 19732 99 1 1 . 1 1 21 21 TRP N N 21 119.753 119.753 120.707 -0.954 19732 100 1 1 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.262 -0.369 19732 101 1 1 . 1 1 21 21 TRP C C 21 177.494 177.494 177.736 -0.242 19732 102 1 1 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.884 2.214 19732 103 1 1 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.843 -1.200 19732 104 1 1 . 1 1 21 21 TRP H H 21 8.043 8.043 8.191 -0.148 19732 105 1 1 . 1 1 22 22 LEU N N 22 122.136 122.136 120.943 1.193 19732 106 1 1 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.493 -0.054 19732 107 1 1 . 1 1 22 22 LEU C C 22 178.075 178.075 178.369 -0.294 19732 108 1 1 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.033 -0.278 19732 109 1 1 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.457 0.513 19732 110 1 1 . 1 1 22 22 LEU H H 22 8.553 8.553 8.314 0.239 19732 111 1 1 . 1 1 23 23 VAL N N 23 118.034 118.034 118.587 -0.553 19732 112 1 1 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.251 0.062 19732 113 1 1 . 1 1 23 23 VAL C C 23 178.401 178.401 177.996 0.405 19732 114 1 1 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.899 0.225 19732 115 1 1 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.126 0.174 19732 116 1 1 . 1 1 23 23 VAL H H 23 8.341 8.341 8.287 0.054 19732 117 1 1 . 1 1 24 24 ARG N N 24 120.377 120.377 117.666 2.711 19732 118 1 1 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.965 -0.151 19732 119 1 1 . 1 1 24 24 ARG C C 24 179.205 179.205 178.714 0.491 19732 120 1 1 . 1 1 24 24 ARG CA C 24 60.104 60.104 57.694 2.410 19732 121 1 1 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.802 0.234 19732 122 1 1 . 1 1 24 24 ARG H H 24 7.856 7.856 7.566 0.290 19732 123 1 1 . 1 1 25 25 LEU N N 25 121.668 121.668 120.997 0.671 19732 124 1 1 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.908 -0.245 19732 125 1 1 . 1 1 25 25 LEU C C 25 179.943 179.943 179.304 0.639 19732 126 1 1 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.257 0.791 19732 127 1 1 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.793 0.235 19732 128 1 1 . 1 1 25 25 LEU H H 25 7.838 7.838 7.796 0.042 19732 129 1 1 . 1 1 26 26 LEU N N 26 118.308 118.308 118.059 0.249 19732 130 1 1 . 1 1 26 26 LEU HA H 26 3.911 3.911 3.974 -0.062 19732 131 1 1 . 1 1 26 26 LEU C C 26 179.471 179.471 179.336 0.135 19732 132 1 1 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.539 -0.066 19732 133 1 1 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.736 0.293 19732 134 1 1 . 1 1 26 26 LEU H H 26 8.247 8.247 8.547 -0.300 19732 135 1 1 . 1 1 27 27 SER N N 27 115.768 115.768 114.901 0.867 19732 136 1 1 . 1 1 27 27 SER HA H 27 4.020 4.020 4.326 -0.306 19732 137 1 1 . 1 1 27 27 SER C C 27 174.990 174.990 175.482 -0.492 19732 138 1 1 . 1 1 27 27 SER CA C 27 61.755 61.755 60.515 1.240 19732 139 1 1 . 1 1 27 27 SER CB C 27 62.755 62.755 62.859 -0.104 19732 140 1 1 . 1 1 27 27 SER H H 27 8.436 8.436 7.729 0.707 19732 141 1 1 . 1 1 28 28 LYS N N 28 117.644 117.644 119.016 -1.372 19732 142 1 1 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.334 -0.020 19732 143 1 1 . 1 1 28 28 LYS C C 28 175.979 175.979 176.288 -0.309 19732 144 1 1 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.421 -0.234 19732 145 1 1 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.879 -0.088 19732 146 1 1 . 1 1 28 28 LYS H H 28 7.014 7.014 7.403 -0.389 19732 147 1 1 . 1 1 29 29 ASN N N 29 118.347 118.347 117.891 0.456 19732 148 1 1 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.183 0.099 19732 149 1 1 . 1 1 29 29 ASN C C 29 171.835 171.835 173.301 -1.466 19732 150 1 1 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.381 0.944 19732 151 1 1 . 1 1 29 29 ASN CB C 29 41.626 41.626 38.846 2.780 19732 152 1 1 . 1 1 29 29 ASN H H 29 7.611 7.611 7.672 -0.061 19732 153 1 1 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.472 -0.021 19732 154 1 1 . 1 1 30 30 PRO C C 30 179.560 179.560 178.122 1.438 19732 155 1 1 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.072 0.797 19732 156 1 1 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.988 -0.586 19732 157 1 1 . 1 1 31 31 GLU N N 31 119.636 119.636 117.761 1.875 19732 158 1 1 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.216 -0.090 19732 159 1 1 . 1 1 31 31 GLU C C 31 179.253 179.253 178.818 0.435 19732 160 1 1 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.461 0.211 19732 161 1 1 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.960 -0.595 19732 162 1 1 . 1 1 31 31 GLU H H 31 8.593 8.593 8.921 -0.328 19732 163 1 1 . 1 1 32 32 TRP N N 32 122.293 122.293 122.607 -0.314 19732 164 1 1 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.404 -0.371 19732 165 1 1 . 1 1 32 32 TRP C C 32 178.055 178.055 178.057 -0.002 19732 166 1 1 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.481 0.375 19732 167 1 1 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.921 -0.805 19732 168 1 1 . 1 1 32 32 TRP H H 32 7.933 7.933 8.151 -0.218 19732 169 1 1 . 1 1 33 33 LEU N N 33 117.409 117.409 120.448 -3.039 19732 170 1 1 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.837 0.053 19732 171 1 1 . 1 1 33 33 LEU C C 33 177.934 177.934 179.164 -1.230 19732 172 1 1 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.415 -0.237 19732 173 1 1 . 1 1 33 33 LEU CB C 33 41.558 41.558 40.891 0.667 19732 174 1 1 . 1 1 33 33 LEU H H 33 8.012 8.012 8.243 -0.231 19732 175 1 1 . 1 1 34 34 SER N N 34 113.257 113.257 114.152 -0.895 19732 176 1 1 . 1 1 34 34 SER HA H 34 3.975 3.975 4.043 -0.068 19732 177 1 1 . 1 1 34 34 SER C C 34 176.363 176.363 176.592 -0.229 19732 178 1 1 . 1 1 34 34 SER CA C 34 62.194 62.194 61.704 0.490 19732 179 1 1 . 1 1 34 34 SER CB C 34 62.739 62.739 62.539 0.200 19732 180 1 1 . 1 1 34 34 SER H H 34 8.335 8.335 8.189 0.146 19732 181 1 1 . 1 1 35 35 ALA N N 35 121.511 121.511 125.070 -3.559 19732 182 1 1 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.991 -0.034 19732 183 1 1 . 1 1 35 35 ALA C C 35 180.728 180.728 179.754 0.974 19732 184 1 1 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.953 -0.064 19732 185 1 1 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.202 -0.427 19732 186 1 1 . 1 1 35 35 ALA H H 35 7.391 7.391 7.410 -0.019 19732 187 1 1 . 1 1 36 36 LYS N N 36 118.386 118.386 117.732 0.654 19732 188 1 1 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.989 -0.155 19732 189 1 1 . 1 1 36 36 LYS C C 36 179.578 179.578 179.292 0.286 19732 190 1 1 . 1 1 36 36 LYS CA C 36 56.597 56.597 58.047 -1.450 19732 191 1 1 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.924 -1.441 19732 192 1 1 . 1 1 36 36 LYS H H 36 7.823 7.823 7.589 0.234 19732 193 1 1 . 1 1 37 37 LEU N N 37 119.480 119.480 119.443 0.037 19732 194 1 1 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.106 -0.216 19732 195 1 1 . 1 1 37 37 LEU C C 37 178.529 178.529 178.665 -0.136 19732 196 1 1 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.257 0.390 19732 197 1 1 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.366 -0.218 19732 198 1 1 . 1 1 37 37 LEU H H 37 8.725 8.725 8.639 0.086 19732 199 1 1 . 1 1 38 38 ARG N N 38 115.612 115.612 117.365 -1.753 19732 200 1 1 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.086 -0.089 19732 201 1 1 . 1 1 38 38 ARG C C 38 177.661 177.661 178.506 -0.845 19732 202 1 1 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.051 -0.539 19732 203 1 1 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.814 0.121 19732 204 1 1 . 1 1 38 38 ARG H H 38 7.446 7.446 7.807 -0.361 19732 205 1 1 . 1 1 39 39 SER N N 39 111.883 111.883 113.923 -2.040 19732 206 1 1 . 1 1 39 39 SER HA H 39 4.160 4.160 4.197 -0.037 19732 207 1 1 . 1 1 39 39 SER C C 39 175.401 175.401 175.447 -0.046 19732 208 1 1 . 1 1 39 39 SER CA C 39 60.359 60.359 60.499 -0.140 19732 209 1 1 . 1 1 39 39 SER CB C 39 63.228 63.228 62.865 0.363 19732 210 1 1 . 1 1 39 39 SER H H 39 7.353 7.353 7.605 -0.252 19732 211 1 1 . 1 1 40 40 PHE N N 40 117.136 117.136 119.639 -2.503 19732 212 1 1 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.399 0.215 19732 213 1 1 . 1 1 40 40 PHE C C 40 175.852 175.852 176.215 -0.363 19732 214 1 1 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.991 -1.281 19732 215 1 1 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.508 2.186 19732 216 1 1 . 1 1 40 40 PHE H H 40 7.792 7.792 7.410 0.382 19732 217 1 1 . 1 1 41 41 LEU N N 41 119.050 119.050 119.141 -0.091 19732 218 1 1 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.714 0.163 19732 219 1 1 . 1 1 41 41 LEU C C 41 174.510 174.510 176.252 -1.742 19732 220 1 1 . 1 1 41 41 LEU CA C 41 52.092 52.092 51.422 0.669 19732 221 1 1 . 1 1 41 41 LEU CB C 41 42.037 42.037 40.487 1.550 19732 222 1 1 . 1 1 41 41 LEU H H 41 8.114 8.114 8.275 -0.161 19732 223 1 1 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.405 -0.103 19732 224 1 1 . 1 1 42 42 PRO C C 42 177.620 177.620 177.109 0.511 19732 225 1 1 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.160 -0.389 19732 226 1 1 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.381 -0.700 19732 227 1 1 . 1 1 43 43 THR N N 43 109.752 109.752 108.248 1.504 19732 228 1 1 . 1 1 43 43 THR HA H 43 4.256 4.256 4.449 -0.193 19732 229 1 1 . 1 1 43 43 THR C C 43 174.467 174.467 174.910 -0.443 19732 230 1 1 . 1 1 43 43 THR CA C 43 61.657 61.657 59.298 2.359 19732 231 1 1 . 1 1 43 43 THR CB C 43 69.450 69.450 68.884 0.566 19732 232 1 1 . 1 1 43 43 THR H H 43 7.671 7.671 7.635 0.036 19732 233 1 1 . 1 1 44 44 MET N N 44 121.568 121.568 124.181 -2.613 19732 234 1 1 . 1 1 44 44 MET HA H 44 4.363 4.363 4.349 0.014 19732 235 1 1 . 1 1 44 44 MET C C 44 175.373 175.373 176.516 -1.143 19732 236 1 1 . 1 1 44 44 MET CA C 44 55.710 55.710 55.021 0.689 19732 237 1 1 . 1 1 44 44 MET CB C 44 32.989 32.989 32.165 0.824 19732 238 1 1 . 1 1 44 44 MET H H 44 8.037 8.037 7.472 0.565 19732 239 1 1 . 1 1 45 45 ASP N N 45 121.980 121.980 126.450 -4.470 19732 240 1 1 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.663 -0.142 19732 241 1 1 . 1 1 45 45 ASP C C 45 176.022 176.022 176.351 -0.329 19732 242 1 1 . 1 1 45 45 ASP CA C 45 54.371 54.371 52.759 1.612 19732 243 1 1 . 1 1 45 45 ASP CB C 45 41.147 41.147 38.715 2.432 19732 244 1 1 . 1 1 45 45 ASP H H 45 8.230 8.230 8.609 -0.379 19732 245 1 1 . 1 1 46 46 LEU N N 46 122.192 122.192 116.545 5.647 19732 246 1 1 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.373 -0.229 19732 247 1 1 . 1 1 46 46 LEU C C 46 177.018 177.018 177.247 -0.229 19732 248 1 1 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.538 0.375 19732 249 1 1 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.697 0.478 19732 250 1 1 . 1 1 46 46 LEU H H 46 8.028 8.028 7.469 0.559 19732 251 1 1 . 1 1 47 47 ASP N N 47 120.573 120.573 118.815 1.758 19732 252 1 1 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.473 0.052 19732 253 1 1 . 1 1 47 47 ASP C C 47 176.370 176.370 176.273 0.097 19732 254 1 1 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.131 -0.924 19732 255 1 1 . 1 1 47 47 ASP CB C 47 41.154 41.154 41.191 -0.037 19732 256 1 1 . 1 1 47 47 ASP H H 47 8.238 8.238 8.238 0.000 19732 257 1 1 . 1 1 48 48 CYS N N 48 118.464 118.464 120.966 -2.502 19732 258 1 1 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.392 0.037 19732 259 1 1 . 1 1 48 48 CYS C C 48 174.340 174.340 173.290 1.050 19732 260 1 1 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.958 -0.445 19732 261 1 1 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.502 0.451 19732 262 1 1 . 1 1 48 48 CYS H H 48 8.068 8.068 7.296 0.772 19732 263 1 1 . 1 1 49 49 SER N N 49 116.784 116.784 122.697 -5.913 19732 264 1 1 . 1 1 49 49 SER HA H 49 4.302 4.302 4.375 -0.073 19732 265 1 1 . 1 1 49 49 SER C C 49 173.897 173.897 174.228 -0.331 19732 266 1 1 . 1 1 49 49 SER CA C 49 58.718 58.718 56.873 1.845 19732 267 1 1 . 1 1 49 49 SER CB C 49 63.636 63.636 63.010 0.626 19732 268 1 1 . 1 1 49 49 SER H H 49 8.185 8.185 8.309 -0.124 19732 269 1 1 . 1 1 50 50 TYR N N 50 120.886 120.886 122.653 -1.767 19732 270 1 1 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.535 -0.023 19732 271 1 1 . 1 1 50 50 TYR C C 50 174.818 174.818 176.102 -1.284 19732 272 1 1 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.877 -1.391 19732 273 1 1 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.091 0.705 19732 274 1 1 . 1 1 50 50 TYR H H 50 7.776 7.776 7.668 0.108 19732 275 1 1 . 1 1 51 51 GLU N N 51 122.800 122.800 119.542 3.258 19732 276 1 1 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.887 -0.332 19732 277 1 1 . 1 1 51 51 GLU C C 51 174.508 174.508 174.821 -0.313 19732 278 1 1 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.479 0.449 19732 279 1 1 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.285 -1.060 19732 280 1 1 . 1 1 51 51 GLU H H 51 8.026 8.026 8.154 -0.128 19732 281 1 1 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.502 -0.200 19732 282 1 1 . 1 1 52 52 PRO C C 52 176.065 176.065 178.048 -1.983 19732 283 1 1 . 1 1 52 52 PRO CA C 52 63.684 63.684 63.004 0.680 19732 284 1 1 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.170 -0.607 19732 285 1 1 . 1 1 53 53 SER N N 53 110.611 110.611 115.655 -5.044 19732 286 1 1 . 1 1 53 53 SER HA H 53 4.302 4.302 4.338 -0.036 19732 287 1 1 . 1 1 53 53 SER C C 53 173.858 173.858 173.882 -0.024 19732 288 1 1 . 1 1 53 53 SER CA C 53 58.508 58.508 58.359 0.149 19732 289 1 1 . 1 1 53 53 SER CB C 53 63.636 63.636 61.064 2.572 19732 290 1 1 . 1 1 53 53 SER H H 53 7.934 7.934 8.646 -0.712 19732 291 1 1 . 1 1 54 54 ASN N N 54 121.155 121.155 122.576 -1.421 19732 292 1 1 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.789 0.089 19732 293 1 1 . 1 1 54 54 ASN C C 54 174.167 174.167 174.871 -0.704 19732 294 1 1 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.895 -1.424 19732 295 1 1 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.013 0.991 19732 296 1 1 . 1 1 54 54 ASN H H 54 7.666 7.666 7.965 -0.299 19732 297 1 1 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.113 -0.084 19732 298 1 1 . 1 1 55 55 PRO C C 55 177.787 177.787 178.511 -0.724 19732 299 1 1 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.161 -0.575 19732 300 1 1 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.911 0.452 19732 301 1 1 . 1 1 56 56 GLU N N 56 117.292 117.292 116.432 0.860 19732 302 1 1 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.521 -0.451 19732 303 1 1 . 1 1 56 56 GLU C C 56 179.258 179.258 179.234 0.024 19732 304 1 1 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.025 0.447 19732 305 1 1 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.818 0.306 19732 306 1 1 . 1 1 56 56 GLU H H 56 8.153 8.153 9.145 -0.992 19732 307 1 1 . 1 1 57 57 VAL N N 57 120.730 120.730 121.294 -0.564 19732 308 1 1 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.861 -0.293 19732 309 1 1 . 1 1 57 57 VAL C C 57 178.039 178.039 177.969 0.070 19732 310 1 1 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.307 -0.342 19732 311 1 1 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.677 0.308 19732 312 1 1 . 1 1 57 57 VAL H H 57 7.556 7.556 7.705 -0.149 19732 313 1 1 . 1 1 58 58 ILE N N 58 119.892 119.892 119.957 -0.065 19732 314 1 1 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.686 0.025 19732 315 1 1 . 1 1 58 58 ILE C C 58 178.096 178.096 177.888 0.208 19732 316 1 1 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.158 1.054 19732 317 1 1 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.412 0.906 19732 318 1 1 . 1 1 58 58 ILE H H 58 7.784 7.784 8.453 -0.669 19732 319 1 1 . 1 1 59 59 HIS N N 59 117.644 117.644 119.951 -2.307 19732 320 1 1 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.523 -0.376 19732 321 1 1 . 1 1 59 59 HIS C C 59 177.576 177.576 177.617 -0.041 19732 322 1 1 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.901 0.594 19732 323 1 1 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.485 -0.206 19732 324 1 1 . 1 1 59 59 HIS H H 59 8.350 8.350 8.591 -0.241 19732 325 1 1 . 1 1 60 60 ARG N N 60 118.248 118.248 118.721 -0.473 19732 326 1 1 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.837 0.209 19732 327 1 1 . 1 1 60 60 ARG C C 60 179.642 179.642 178.721 0.921 19732 328 1 1 . 1 1 60 60 ARG CA C 60 59.946 59.946 60.078 -0.132 19732 329 1 1 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.109 0.198 19732 330 1 1 . 1 1 60 60 ARG H H 60 7.776 7.776 8.405 -0.629 19732 331 1 1 . 1 1 61 61 GLN N N 61 119.475 119.475 117.953 1.522 19732 332 1 1 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.106 -0.040 19732 333 1 1 . 1 1 61 61 GLN C C 61 178.650 178.650 178.494 0.156 19732 334 1 1 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.693 0.332 19732 335 1 1 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.751 -0.599 19732 336 1 1 . 1 1 61 61 GLN H H 61 8.460 8.460 7.755 0.705 19732 337 1 1 . 1 1 62 62 LEU N N 62 117.882 117.882 120.103 -2.221 19732 338 1 1 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.249 -0.121 19732 339 1 1 . 1 1 62 62 LEU C C 62 179.260 179.260 178.894 0.366 19732 340 1 1 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.859 1.136 19732 341 1 1 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.216 0.415 19732 342 1 1 . 1 1 62 62 LEU H H 62 8.742 8.742 8.106 0.636 19732 343 1 1 . 1 1 63 63 ASN N N 63 117.409 117.409 118.836 -1.427 19732 344 1 1 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.356 -0.126 19732 345 1 1 . 1 1 63 63 ASN C C 63 178.050 178.050 177.672 0.378 19732 346 1 1 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.839 -0.174 19732 347 1 1 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.691 -0.013 19732 348 1 1 . 1 1 63 63 ASN H H 63 8.279 8.279 8.745 -0.466 19732 349 1 1 . 1 1 64 64 ARG N N 64 119.753 119.753 118.902 0.851 19732 350 1 1 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.083 -0.041 19732 351 1 1 . 1 1 64 64 ARG C C 64 178.914 178.914 178.796 0.118 19732 352 1 1 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.538 0.322 19732 353 1 1 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.807 -0.038 19732 354 1 1 . 1 1 64 64 ARG H H 64 7.784 7.784 7.767 0.017 19732 355 1 1 . 1 1 65 65 LEU N N 65 120.009 120.009 119.150 0.859 19732 356 1 1 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.050 -0.111 19732 357 1 1 . 1 1 65 65 LEU C C 65 178.481 178.481 178.638 -0.157 19732 358 1 1 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.273 1.034 19732 359 1 1 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.609 0.848 19732 360 1 1 . 1 1 65 65 LEU H H 65 7.779 7.779 7.576 0.203 19732 361 1 1 . 1 1 66 66 PHE N N 66 118.503 118.503 119.966 -1.463 19732 362 1 1 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.109 -0.134 19732 363 1 1 . 1 1 66 66 PHE C C 66 178.269 178.269 176.114 2.155 19732 364 1 1 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.896 0.941 19732 365 1 1 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.113 -0.362 19732 366 1 1 . 1 1 66 66 PHE H H 66 8.287 8.287 7.732 0.555 19732 367 1 1 . 1 1 67 67 ALA N N 67 119.206 119.206 120.614 -1.408 19732 368 1 1 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.900 -0.001 19732 369 1 1 . 1 1 67 67 ALA C C 67 178.876 178.876 178.964 -0.088 19732 370 1 1 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.666 -0.008 19732 371 1 1 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.705 -0.664 19732 372 1 1 . 1 1 67 67 ALA H H 67 7.902 7.902 7.508 0.394 19732 373 1 1 . 1 1 68 68 GLN N N 68 115.534 115.534 117.311 -1.777 19732 374 1 1 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.213 -0.098 19732 375 1 1 . 1 1 68 68 GLN C C 68 177.274 177.274 177.047 0.227 19732 376 1 1 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.329 0.067 19732 377 1 1 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.570 -0.729 19732 378 1 1 . 1 1 68 68 GLN H H 68 7.572 7.572 7.561 0.011 19732 379 1 1 . 1 1 69 69 GLY N N 69 106.861 106.861 104.628 2.233 19732 380 1 1 . 1 1 69 69 GLY C C 69 173.690 173.690 173.587 0.103 19732 381 1 1 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.340 -1.453 19732 382 1 1 . 1 1 69 69 GLY H H 69 7.486 7.486 7.977 -0.491 19732 383 1 1 . 1 1 70 70 MET N N 70 119.355 119.355 120.722 -1.367 19732 384 1 1 . 1 1 70 70 MET HA H 70 4.117 4.117 4.146 -0.029 19732 385 1 1 . 1 1 70 70 MET C C 70 177.743 177.743 178.208 -0.465 19732 386 1 1 . 1 1 70 70 MET CA C 70 57.396 57.396 58.133 -0.737 19732 387 1 1 . 1 1 70 70 MET CB C 70 30.638 30.638 32.359 -1.721 19732 388 1 1 . 1 1 70 70 MET H H 70 8.245 8.245 8.501 -0.256 19732 389 1 1 . 1 1 71 71 ALA N N 71 120.691 120.691 121.380 -0.689 19732 390 1 1 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.245 -0.182 19732 391 1 1 . 1 1 71 71 ALA C C 71 181.027 181.027 179.679 1.348 19732 392 1 1 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.288 0.354 19732 393 1 1 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.375 -0.810 19732 394 1 1 . 1 1 71 71 ALA H H 71 8.624 8.624 8.150 0.474 19732 395 1 1 . 1 1 72 72 THR N N 72 116.354 116.354 115.540 0.814 19732 396 1 1 . 1 1 72 72 THR HA H 72 3.825 3.825 4.225 -0.400 19732 397 1 1 . 1 1 72 72 THR C C 72 174.861 174.861 176.390 -1.529 19732 398 1 1 . 1 1 72 72 THR CA C 72 66.992 66.992 66.990 0.001 19732 399 1 1 . 1 1 72 72 THR CB C 72 68.355 68.355 68.640 -0.285 19732 400 1 1 . 1 1 72 72 THR H H 72 7.525 7.525 7.932 -0.407 19732 401 1 1 . 1 1 73 73 TRP N N 73 122.292 122.292 123.236 -0.944 19732 402 1 1 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.354 -0.023 19732 403 1 1 . 1 1 73 73 TRP C C 73 176.757 176.757 177.450 -0.693 19732 404 1 1 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.411 -0.852 19732 405 1 1 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.975 0.381 19732 406 1 1 . 1 1 73 73 TRP H H 73 8.090 8.090 8.502 -0.412 19732 407 1 1 . 1 1 74 74 LYS N N 74 115.768 115.768 117.599 -1.831 19732 408 1 1 . 1 1 74 74 LYS HA H 74 3.739 3.739 4.035 -0.296 19732 409 1 1 . 1 1 74 74 LYS C C 74 178.957 178.957 179.410 -0.453 19732 410 1 1 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.136 0.297 19732 411 1 1 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.297 0.025 19732 412 1 1 . 1 1 74 74 LYS H H 74 9.001 9.001 8.032 0.969 19732 413 1 1 . 1 1 75 75 SER N N 75 115.378 115.378 116.264 -0.886 19732 414 1 1 . 1 1 75 75 SER HA H 75 4.211 4.211 4.349 -0.138 19732 415 1 1 . 1 1 75 75 SER C C 75 175.465 175.465 176.229 -0.764 19732 416 1 1 . 1 1 75 75 SER CA C 75 61.999 61.999 61.936 0.063 19732 417 1 1 . 1 1 75 75 SER CB C 75 63.160 63.160 63.357 -0.197 19732 418 1 1 . 1 1 75 75 SER H H 75 7.604 7.604 8.026 -0.422 19732 419 1 1 . 1 1 76 76 PHE N N 76 121.707 121.707 124.362 -2.655 19732 420 1 1 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.229 -0.213 19732 421 1 1 . 1 1 76 76 PHE C C 76 175.983 175.983 176.893 -0.910 19732 422 1 1 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.177 0.305 19732 423 1 1 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.830 -0.551 19732 424 1 1 . 1 1 76 76 PHE H H 76 8.200 8.200 8.572 -0.372 19732 425 1 1 . 1 1 77 77 ILE N N 77 117.448 117.448 117.775 -0.327 19732 426 1 1 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.365 -0.034 19732 427 1 1 . 1 1 77 77 ILE C C 77 177.919 177.919 177.967 -0.048 19732 428 1 1 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.581 -3.087 19732 429 1 1 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.048 -1.326 19732 430 1 1 . 1 1 77 77 ILE H H 77 8.193 8.193 8.508 -0.315 19732 431 1 1 . 1 1 78 78 ASN N N 78 119.831 119.831 119.271 0.560 19732 432 1 1 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.491 -0.273 19732 433 1 1 . 1 1 78 78 ASN C C 78 177.228 177.228 177.043 0.185 19732 434 1 1 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.822 0.969 19732 435 1 1 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.509 0.795 19732 436 1 1 . 1 1 78 78 ASN H H 78 8.224 8.224 7.698 0.526 19732 437 1 1 . 1 1 79 79 ASP N N 79 119.402 119.402 121.097 -1.695 19732 438 1 1 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.561 -0.072 19732 439 1 1 . 1 1 79 79 ASP C C 79 177.600 177.600 178.687 -1.087 19732 440 1 1 . 1 1 79 79 ASP CA C 79 57.575 57.575 56.849 0.726 19732 441 1 1 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.545 -0.629 19732 442 1 1 . 1 1 79 79 ASP H H 79 8.028 8.028 7.483 0.545 19732 443 1 1 . 1 1 80 80 LEU N N 80 122.293 122.293 121.998 0.295 19732 444 1 1 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.542 -0.054 19732 445 1 1 . 1 1 80 80 LEU C C 80 178.561 178.561 178.586 -0.025 19732 446 1 1 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.379 0.953 19732 447 1 1 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.120 1.260 19732 448 1 1 . 1 1 80 80 LEU H H 80 8.491 8.491 8.399 0.092 19732 449 1 1 . 1 1 81 81 CYS N N 81 114.479 114.479 115.032 -0.553 19732 450 1 1 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.099 -0.168 19732 451 1 1 . 1 1 81 81 CYS C C 81 176.754 176.754 176.490 0.264 19732 452 1 1 . 1 1 81 81 CYS CA C 81 63.543 63.543 63.234 0.309 19732 453 1 1 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.199 -0.542 19732 454 1 1 . 1 1 81 81 CYS H H 81 8.169 8.169 8.177 -0.008 19732 455 1 1 . 1 1 82 82 PHE N N 82 115.964 115.964 120.298 -4.334 19732 456 1 1 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.246 0.076 19732 457 1 1 . 1 1 82 82 PHE C C 82 178.485 178.485 177.504 0.981 19732 458 1 1 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.244 -0.368 19732 459 1 1 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.678 0.153 19732 460 1 1 . 1 1 82 82 PHE H H 82 7.863 7.863 7.571 0.292 19732 461 1 1 . 1 1 83 83 GLU N N 83 116.314 116.314 118.990 -2.676 19732 462 1 1 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.098 -0.053 19732 463 1 1 . 1 1 83 83 GLU C C 83 177.877 177.877 177.949 -0.072 19732 464 1 1 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.866 -0.121 19732 465 1 1 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.137 0.141 19732 466 1 1 . 1 1 83 83 GLU H H 83 9.049 9.049 8.899 0.150 19732 467 1 1 . 1 1 84 84 LEU N N 84 116.042 116.042 117.514 -1.472 19732 468 1 1 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.150 0.087 19732 469 1 1 . 1 1 84 84 LEU C C 84 175.868 175.868 177.029 -1.161 19732 470 1 1 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.302 -0.645 19732 471 1 1 . 1 1 84 84 LEU CB C 84 40.104 40.104 41.266 -1.162 19732 472 1 1 . 1 1 84 84 LEU H H 84 7.713 7.713 7.440 0.273 19732 473 1 1 . 1 1 85 85 ASP N N 85 116.940 116.940 117.769 -0.829 19732 474 1 1 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.077 0.173 19732 475 1 1 . 1 1 85 85 ASP C C 85 174.424 174.424 176.147 -1.723 19732 476 1 1 . 1 1 85 85 ASP CA C 85 54.685 54.685 56.642 -1.957 19732 477 1 1 . 1 1 85 85 ASP CB C 85 38.821 38.821 40.087 -1.266 19732 478 1 1 . 1 1 85 85 ASP H H 85 7.164 7.164 7.676 -0.512 19732 479 1 1 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.577 -0.171 19732 480 1 1 . 1 1 87 87 PRO C C 87 177.572 177.572 175.926 1.646 19732 481 1 1 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.374 0.785 19732 482 1 1 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.828 0.432 19732 483 1 1 . 1 1 88 88 LEU N N 88 122.410 122.410 125.748 -3.338 19732 484 1 1 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.012 -0.081 19732 485 1 1 . 1 1 88 88 LEU C C 88 179.214 179.214 177.745 1.469 19732 486 1 1 . 1 1 88 88 LEU CA C 88 57.281 57.281 57.034 0.247 19732 487 1 1 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.322 -1.242 19732 488 1 1 . 1 1 88 88 LEU H H 88 8.271 8.271 8.648 -0.377 19732 489 1 1 . 1 1 91 91 GLU N N 91 121.224 121.224 120.969 0.255 19732 490 1 1 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.173 -0.636 19732 491 1 1 . 1 1 91 91 GLU C C 91 176.926 176.926 177.836 -0.910 19732 492 1 1 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.098 1.981 19732 493 1 1 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.657 -0.172 19732 494 1 1 . 1 1 91 91 GLU H H 91 7.775 7.775 8.787 -1.012 19732 495 1 1 . 1 1 92 92 ILE N N 92 115.836 115.836 121.368 -5.532 19732 496 1 1 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.043 -0.133 19732 497 1 1 . 1 1 92 92 ILE C C 92 177.704 177.704 175.839 1.865 19732 498 1 1 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.169 1.861 19732 499 1 1 . 1 1 92 92 ILE CB C 92 34.451 34.451 35.105 -0.654 19732 500 1 1 . 1 1 92 92 ILE H H 92 8.259 8.259 8.246 0.013 19732 501 1 1 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.231 -0.114 19732 502 1 1 . 1 1 93 93 PRO C C 93 178.653 178.653 178.655 -0.002 19732 503 1 1 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.052 -0.049 19732 504 1 1 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.370 -0.234 19732 505 1 1 . 1 1 94 94 LEU N N 94 114.952 114.952 115.569 -0.617 19732 506 1 1 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.443 -0.317 19732 507 1 1 . 1 1 94 94 LEU C C 94 180.119 180.119 179.454 0.665 19732 508 1 1 . 1 1 94 94 LEU CA C 94 57.785 57.785 56.909 0.876 19732 509 1 1 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.471 1.289 19732 510 1 1 . 1 1 94 94 LEU H H 94 7.657 7.657 7.831 -0.174 19732 511 1 1 . 1 1 95 95 VAL N N 95 119.986 119.986 118.786 1.200 19732 512 1 1 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.455 -0.447 19732 513 1 1 . 1 1 95 95 VAL C C 95 177.559 177.559 177.705 -0.146 19732 514 1 1 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.052 0.614 19732 515 1 1 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.565 0.149 19732 516 1 1 . 1 1 95 95 VAL H H 95 8.873 8.873 7.753 1.120 19732 517 1 1 . 1 1 96 96 SER N N 96 111.863 111.863 114.222 -2.359 19732 518 1 1 . 1 1 96 96 SER HA H 96 4.598 4.598 3.855 0.743 19732 519 1 1 . 1 1 96 96 SER C C 96 175.113 175.113 175.541 -0.428 19732 520 1 1 . 1 1 96 96 SER CA C 96 59.163 59.163 57.925 1.238 19732 521 1 1 . 1 1 96 96 SER CB C 96 63.552 63.552 62.183 1.369 19732 522 1 1 . 1 1 96 96 SER H H 96 7.823 7.823 7.863 -0.040 19732 523 1 1 . 1 1 97 97 ILE N N 97 120.300 120.300 122.666 -2.366 19732 524 1 1 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.052 -0.233 19732 525 1 1 . 1 1 97 97 ILE C C 97 174.601 174.601 176.528 -1.927 19732 526 1 1 . 1 1 97 97 ILE CA C 97 63.804 63.804 63.476 0.328 19732 527 1 1 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.490 0.569 19732 528 1 1 . 1 1 97 97 ILE H H 97 7.014 7.014 7.333 -0.319 19732 529 1 1 . 1 1 98 98 TRP N N 98 120.222 120.222 117.553 2.669 19732 530 1 1 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.582 -0.520 19732 531 1 1 . 1 1 98 98 TRP C C 98 176.502 176.502 176.293 0.209 19732 532 1 1 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.447 2.343 19732 533 1 1 . 1 1 98 98 TRP CB C 98 28.963 28.963 28.432 0.531 19732 534 1 1 . 1 1 98 98 TRP H H 98 7.651 7.651 7.206 0.445 19732 535 1 1 . 1 1 99 99 GLY N N 99 109.003 109.003 111.234 -2.231 19732 536 1 1 . 1 1 99 99 GLY C C 99 170.846 170.846 172.807 -1.961 19732 537 1 1 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.902 -0.265 19732 538 1 1 . 1 1 99 99 GLY H H 99 7.240 7.240 7.513 -0.273 19732 539 1 1 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.359 -0.060 19732 540 1 1 . 1 1 100 100 PRO C C 100 176.200 176.200 176.218 -0.018 19732 541 1 1 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.126 -0.122 19732 542 1 1 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.857 -0.049 19732 543 1 2 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.466 -0.056 19732 544 1 2 . 1 1 2 2 PRO C C 2 176.929 176.929 175.910 1.019 19732 545 1 2 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.534 -0.393 19732 546 1 2 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.350 0.884 19732 547 1 2 . 1 1 3 3 LEU N N 3 121.746 121.746 125.182 -3.436 19732 548 1 2 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.485 -0.208 19732 549 1 2 . 1 1 3 3 LEU C C 3 177.789 177.789 178.565 -0.776 19732 550 1 2 . 1 1 3 3 LEU CA C 3 55.367 55.367 55.060 0.307 19732 551 1 2 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.984 -0.827 19732 552 1 2 . 1 1 3 3 LEU H H 3 8.420 8.420 7.950 0.470 19732 553 1 2 . 1 1 4 4 GLY N N 4 109.400 109.400 107.280 2.120 19732 554 1 2 . 1 1 4 4 GLY C C 4 174.208 174.208 175.224 -1.016 19732 555 1 2 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.436 -0.181 19732 556 1 2 . 1 1 4 4 GLY H H 4 8.326 8.326 8.593 -0.267 19732 557 1 2 . 1 1 5 5 SER N N 5 115.339 115.339 118.127 -2.788 19732 558 1 2 . 1 1 5 5 SER HA H 5 4.363 4.363 4.419 -0.056 19732 559 1 2 . 1 1 5 5 SER C C 5 174.549 174.549 175.514 -0.965 19732 560 1 2 . 1 1 5 5 SER CA C 5 58.443 58.443 59.160 -0.717 19732 561 1 2 . 1 1 5 5 SER CB C 5 63.773 63.773 63.670 0.103 19732 562 1 2 . 1 1 5 5 SER H H 5 8.098 8.098 8.093 0.005 19732 563 1 2 . 1 1 6 6 MET N N 6 121.404 121.404 123.655 -2.251 19732 564 1 2 . 1 1 6 6 MET HA H 6 4.427 4.427 4.342 0.085 19732 565 1 2 . 1 1 6 6 MET C C 6 175.724 175.724 176.041 -0.317 19732 566 1 2 . 1 1 6 6 MET CA C 6 55.612 55.612 57.427 -1.815 19732 567 1 2 . 1 1 6 6 MET CB C 6 32.874 32.874 32.499 0.374 19732 568 1 2 . 1 1 6 6 MET H H 6 8.326 8.326 8.861 -0.535 19732 569 1 2 . 1 1 7 7 ASP N N 7 120.769 120.769 117.938 2.831 19732 570 1 2 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.965 -0.448 19732 571 1 2 . 1 1 7 7 ASP C C 7 176.111 176.111 176.454 -0.343 19732 572 1 2 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.287 -0.151 19732 573 1 2 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.235 1.050 19732 574 1 2 . 1 1 7 7 ASP H H 7 8.114 8.114 8.296 -0.182 19732 575 1 2 . 1 1 8 8 ALA N N 8 123.543 123.543 121.792 1.751 19732 576 1 2 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.202 -0.143 19732 577 1 2 . 1 1 8 8 ALA C C 8 178.788 178.788 178.456 0.332 19732 578 1 2 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.692 -0.761 19732 579 1 2 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.942 -0.015 19732 580 1 2 . 1 1 8 8 ALA H H 8 8.248 8.248 7.498 0.750 19732 581 1 2 . 1 1 9 9 GLU N N 9 118.034 118.034 118.210 -0.176 19732 582 1 2 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.984 0.142 19732 583 1 2 . 1 1 9 9 GLU C C 9 177.485 177.485 178.413 -0.928 19732 584 1 2 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.484 -1.644 19732 585 1 2 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.452 1.150 19732 586 1 2 . 1 1 9 9 GLU H H 9 8.255 8.255 8.528 -0.273 19732 587 1 2 . 1 1 10 10 SER N N 10 115.260 115.260 113.796 1.464 19732 588 1 2 . 1 1 10 10 SER HA H 10 4.232 4.232 4.337 -0.105 19732 589 1 2 . 1 1 10 10 SER C C 10 175.552 175.552 175.207 0.345 19732 590 1 2 . 1 1 10 10 SER CA C 10 60.015 60.015 60.668 -0.653 19732 591 1 2 . 1 1 10 10 SER CB C 10 63.225 63.225 63.192 0.033 19732 592 1 2 . 1 1 10 10 SER H H 10 7.992 7.992 7.802 0.190 19732 593 1 2 . 1 1 11 11 ILE N N 11 121.199 121.199 120.634 0.565 19732 594 1 2 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.026 -0.136 19732 595 1 2 . 1 1 11 11 ILE C C 11 176.411 176.411 177.484 -1.073 19732 596 1 2 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.002 -0.252 19732 597 1 2 . 1 1 11 11 ILE CB C 11 38.273 38.273 37.808 0.465 19732 598 1 2 . 1 1 11 11 ILE H H 11 7.729 7.729 7.239 0.490 19732 599 1 2 . 1 1 12 12 ARG N N 12 121.248 121.248 117.610 3.638 19732 600 1 2 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.407 -0.294 19732 601 1 2 . 1 1 12 12 ARG C C 12 176.970 176.970 176.288 0.682 19732 602 1 2 . 1 1 12 12 ARG CA C 12 57.077 57.077 54.435 2.642 19732 603 1 2 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.443 0.053 19732 604 1 2 . 1 1 12 12 ARG H H 12 7.853 7.853 7.754 0.099 19732 605 1 2 . 1 1 13 13 LEU N N 13 120.701 120.701 122.561 -1.860 19732 606 1 2 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.146 0.072 19732 607 1 2 . 1 1 13 13 LEU C C 13 177.620 177.620 176.454 1.166 19732 608 1 2 . 1 1 13 13 LEU CA C 13 55.297 55.297 56.537 -1.240 19732 609 1 2 . 1 1 13 13 LEU CB C 13 42.174 42.174 41.516 0.658 19732 610 1 2 . 1 1 13 13 LEU H H 13 8.020 8.020 7.517 0.503 19732 611 1 2 . 1 1 16 16 GLU N N 16 120.417 120.417 122.319 -1.902 19732 612 1 2 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.134 -0.009 19732 613 1 2 . 1 1 16 16 GLU C C 16 178.929 178.929 179.122 -0.193 19732 614 1 2 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.164 -0.559 19732 615 1 2 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.405 -0.014 19732 616 1 2 . 1 1 16 16 GLU H H 16 8.465 8.465 8.877 -0.412 19732 617 1 2 . 1 1 17 17 ASN N N 17 118.855 118.855 118.048 0.807 19732 618 1 2 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.600 0.019 19732 619 1 2 . 1 1 17 17 ASN C C 17 177.835 177.835 177.926 -0.091 19732 620 1 2 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.336 -0.798 19732 621 1 2 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.501 -0.290 19732 622 1 2 . 1 1 17 17 ASN H H 17 8.428 8.428 8.019 0.409 19732 623 1 2 . 1 1 18 18 LEU N N 18 123.972 123.972 121.424 2.548 19732 624 1 2 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.324 -0.104 19732 625 1 2 . 1 1 18 18 LEU C C 18 178.248 178.248 178.601 -0.353 19732 626 1 2 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.758 0.127 19732 627 1 2 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.773 -0.076 19732 628 1 2 . 1 1 18 18 LEU H H 18 8.208 8.208 7.563 0.645 19732 629 1 2 . 1 1 19 19 TRP N N 19 119.362 119.362 121.447 -2.085 19732 630 1 2 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.255 -0.089 19732 631 1 2 . 1 1 19 19 TRP C C 19 177.617 177.617 177.855 -0.238 19732 632 1 2 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.412 0.484 19732 633 1 2 . 1 1 19 19 TRP CB C 19 29.427 29.427 30.241 -0.814 19732 634 1 2 . 1 1 19 19 TRP H H 19 8.316 8.316 8.867 -0.551 19732 635 1 2 . 1 1 20 20 ALA N N 20 118.581 118.581 121.505 -2.924 19732 636 1 2 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.879 0.171 19732 637 1 2 . 1 1 20 20 ALA C C 20 180.422 180.422 179.066 1.356 19732 638 1 2 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.246 -0.082 19732 639 1 2 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.832 0.208 19732 640 1 2 . 1 1 20 20 ALA H H 20 7.957 7.957 8.600 -0.643 19732 641 1 2 . 1 1 21 21 TRP N N 21 119.753 119.753 120.885 -1.132 19732 642 1 2 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.266 -0.373 19732 643 1 2 . 1 1 21 21 TRP C C 21 177.494 177.494 177.701 -0.207 19732 644 1 2 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.873 2.224 19732 645 1 2 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.890 -1.247 19732 646 1 2 . 1 1 21 21 TRP H H 21 8.043 8.043 7.712 0.331 19732 647 1 2 . 1 1 22 22 LEU N N 22 122.136 122.136 121.232 0.904 19732 648 1 2 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.603 -0.164 19732 649 1 2 . 1 1 22 22 LEU C C 22 178.075 178.075 178.769 -0.694 19732 650 1 2 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.986 -0.231 19732 651 1 2 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.227 0.743 19732 652 1 2 . 1 1 22 22 LEU H H 22 8.553 8.553 8.293 0.260 19732 653 1 2 . 1 1 23 23 VAL N N 23 118.034 118.034 118.171 -0.137 19732 654 1 2 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.360 -0.047 19732 655 1 2 . 1 1 23 23 VAL C C 23 178.401 178.401 178.370 0.031 19732 656 1 2 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.157 0.967 19732 657 1 2 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.527 0.773 19732 658 1 2 . 1 1 23 23 VAL H H 23 8.341 8.341 8.265 0.076 19732 659 1 2 . 1 1 24 24 ARG N N 24 120.377 120.377 119.396 0.981 19732 660 1 2 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.980 -0.166 19732 661 1 2 . 1 1 24 24 ARG C C 24 179.205 179.205 178.675 0.530 19732 662 1 2 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.070 2.034 19732 663 1 2 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.719 0.317 19732 664 1 2 . 1 1 24 24 ARG H H 24 7.856 7.856 7.988 -0.132 19732 665 1 2 . 1 1 25 25 LEU N N 25 121.668 121.668 120.451 1.217 19732 666 1 2 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.881 -0.218 19732 667 1 2 . 1 1 25 25 LEU C C 25 179.943 179.943 179.059 0.884 19732 668 1 2 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.336 0.712 19732 669 1 2 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.804 0.224 19732 670 1 2 . 1 1 25 25 LEU H H 25 7.838 7.838 7.954 -0.116 19732 671 1 2 . 1 1 26 26 LEU N N 26 118.308 118.308 118.147 0.161 19732 672 1 2 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.002 -0.091 19732 673 1 2 . 1 1 26 26 LEU C C 26 179.471 179.471 179.390 0.081 19732 674 1 2 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.351 0.122 19732 675 1 2 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.796 0.233 19732 676 1 2 . 1 1 26 26 LEU H H 26 8.247 8.247 8.250 -0.003 19732 677 1 2 . 1 1 27 27 SER N N 27 115.768 115.768 113.972 1.796 19732 678 1 2 . 1 1 27 27 SER HA H 27 4.020 4.020 4.225 -0.205 19732 679 1 2 . 1 1 27 27 SER C C 27 174.990 174.990 175.041 -0.051 19732 680 1 2 . 1 1 27 27 SER CA C 27 61.755 61.755 60.433 1.322 19732 681 1 2 . 1 1 27 27 SER CB C 27 62.755 62.755 63.050 -0.295 19732 682 1 2 . 1 1 27 27 SER H H 27 8.436 8.436 7.693 0.743 19732 683 1 2 . 1 1 28 28 LYS N N 28 117.644 117.644 117.404 0.240 19732 684 1 2 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.322 -0.008 19732 685 1 2 . 1 1 28 28 LYS C C 28 175.979 175.979 176.211 -0.232 19732 686 1 2 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.039 0.148 19732 687 1 2 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.766 0.025 19732 688 1 2 . 1 1 28 28 LYS H H 28 7.014 7.014 7.363 -0.349 19732 689 1 2 . 1 1 29 29 ASN N N 29 118.347 118.347 117.768 0.579 19732 690 1 2 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.156 0.126 19732 691 1 2 . 1 1 29 29 ASN C C 29 171.835 171.835 173.223 -1.388 19732 692 1 2 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.647 0.678 19732 693 1 2 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.005 2.621 19732 694 1 2 . 1 1 29 29 ASN H H 29 7.611 7.611 7.754 -0.143 19732 695 1 2 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.351 0.100 19732 696 1 2 . 1 1 30 30 PRO C C 30 179.560 179.560 178.061 1.499 19732 697 1 2 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.038 0.831 19732 698 1 2 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.950 -0.548 19732 699 1 2 . 1 1 31 31 GLU N N 31 119.636 119.636 118.685 0.951 19732 700 1 2 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.093 0.033 19732 701 1 2 . 1 1 31 31 GLU C C 31 179.253 179.253 178.801 0.452 19732 702 1 2 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.993 -0.321 19732 703 1 2 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.520 -0.155 19732 704 1 2 . 1 1 31 31 GLU H H 31 8.593 8.593 8.812 -0.219 19732 705 1 2 . 1 1 32 32 TRP N N 32 122.293 122.293 122.559 -0.266 19732 706 1 2 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.398 -0.365 19732 707 1 2 . 1 1 32 32 TRP C C 32 178.055 178.055 178.079 -0.024 19732 708 1 2 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.309 0.547 19732 709 1 2 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.709 -0.593 19732 710 1 2 . 1 1 32 32 TRP H H 32 7.933 7.933 7.641 0.292 19732 711 1 2 . 1 1 33 33 LEU N N 33 117.409 117.409 120.293 -2.884 19732 712 1 2 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.838 0.052 19732 713 1 2 . 1 1 33 33 LEU C C 33 177.934 177.934 179.011 -1.077 19732 714 1 2 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.336 -0.157 19732 715 1 2 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.218 0.340 19732 716 1 2 . 1 1 33 33 LEU H H 33 8.012 8.012 8.228 -0.216 19732 717 1 2 . 1 1 34 34 SER N N 34 113.257 113.257 115.663 -2.406 19732 718 1 2 . 1 1 34 34 SER HA H 34 3.975 3.975 4.057 -0.082 19732 719 1 2 . 1 1 34 34 SER C C 34 176.363 176.363 176.506 -0.143 19732 720 1 2 . 1 1 34 34 SER CA C 34 62.194 62.194 62.237 -0.043 19732 721 1 2 . 1 1 34 34 SER CB C 34 62.739 62.739 62.621 0.117 19732 722 1 2 . 1 1 34 34 SER H H 34 8.335 8.335 8.405 -0.070 19732 723 1 2 . 1 1 35 35 ALA N N 35 121.511 121.511 123.899 -2.388 19732 724 1 2 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.876 0.081 19732 725 1 2 . 1 1 35 35 ALA C C 35 180.728 180.728 179.037 1.691 19732 726 1 2 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.816 0.073 19732 727 1 2 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.262 -0.487 19732 728 1 2 . 1 1 35 35 ALA H H 35 7.391 7.391 7.610 -0.219 19732 729 1 2 . 1 1 36 36 LYS N N 36 118.386 118.386 117.052 1.334 19732 730 1 2 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.072 -0.238 19732 731 1 2 . 1 1 36 36 LYS C C 36 179.578 179.578 179.064 0.514 19732 732 1 2 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.801 -1.204 19732 733 1 2 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.231 -1.748 19732 734 1 2 . 1 1 36 36 LYS H H 36 7.823 7.823 7.557 0.266 19732 735 1 2 . 1 1 37 37 LEU N N 37 119.480 119.480 119.862 -0.382 19732 736 1 2 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.089 -0.199 19732 737 1 2 . 1 1 37 37 LEU C C 37 178.529 178.529 178.713 -0.184 19732 738 1 2 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.270 0.377 19732 739 1 2 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.293 -0.145 19732 740 1 2 . 1 1 37 37 LEU H H 37 8.725 8.725 8.488 0.237 19732 741 1 2 . 1 1 38 38 ARG N N 38 115.612 115.612 116.636 -1.024 19732 742 1 2 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.008 -0.011 19732 743 1 2 . 1 1 38 38 ARG C C 38 177.661 177.661 177.396 0.265 19732 744 1 2 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.876 -0.364 19732 745 1 2 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.812 0.123 19732 746 1 2 . 1 1 38 38 ARG H H 38 7.446 7.446 7.870 -0.424 19732 747 1 2 . 1 1 39 39 SER N N 39 111.883 111.883 113.203 -1.320 19732 748 1 2 . 1 1 39 39 SER HA H 39 4.160 4.160 4.262 -0.102 19732 749 1 2 . 1 1 39 39 SER C C 39 175.401 175.401 175.664 -0.263 19732 750 1 2 . 1 1 39 39 SER CA C 39 60.359 60.359 60.441 -0.082 19732 751 1 2 . 1 1 39 39 SER CB C 39 63.228 63.228 63.809 -0.581 19732 752 1 2 . 1 1 39 39 SER H H 39 7.353 7.353 7.677 -0.324 19732 753 1 2 . 1 1 40 40 PHE N N 40 117.136 117.136 119.900 -2.764 19732 754 1 2 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.313 0.301 19732 755 1 2 . 1 1 40 40 PHE C C 40 175.852 175.852 176.349 -0.497 19732 756 1 2 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.835 -1.125 19732 757 1 2 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.205 2.489 19732 758 1 2 . 1 1 40 40 PHE H H 40 7.792 7.792 7.383 0.409 19732 759 1 2 . 1 1 41 41 LEU N N 41 119.050 119.050 119.111 -0.061 19732 760 1 2 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.624 0.253 19732 761 1 2 . 1 1 41 41 LEU C C 41 174.510 174.510 176.551 -2.041 19732 762 1 2 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.459 -0.367 19732 763 1 2 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.511 0.526 19732 764 1 2 . 1 1 41 41 LEU H H 41 8.114 8.114 8.099 0.015 19732 765 1 2 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.376 -0.074 19732 766 1 2 . 1 1 42 42 PRO C C 42 177.620 177.620 177.345 0.275 19732 767 1 2 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.893 -1.122 19732 768 1 2 . 1 1 42 42 PRO CB C 42 31.681 31.681 31.917 -0.236 19732 769 1 2 . 1 1 43 43 THR N N 43 109.752 109.752 107.443 2.309 19732 770 1 2 . 1 1 43 43 THR HA H 43 4.256 4.256 4.395 -0.139 19732 771 1 2 . 1 1 43 43 THR C C 43 174.467 174.467 173.834 0.633 19732 772 1 2 . 1 1 43 43 THR CA C 43 61.657 61.657 60.563 1.094 19732 773 1 2 . 1 1 43 43 THR CB C 43 69.450 69.450 69.147 0.302 19732 774 1 2 . 1 1 43 43 THR H H 43 7.671 7.671 7.698 -0.027 19732 775 1 2 . 1 1 44 44 MET N N 44 121.568 121.568 121.881 -0.313 19732 776 1 2 . 1 1 44 44 MET HA H 44 4.363 4.363 4.088 0.275 19732 777 1 2 . 1 1 44 44 MET C C 44 175.373 175.373 175.354 0.019 19732 778 1 2 . 1 1 44 44 MET CA C 44 55.710 55.710 56.270 -0.560 19732 779 1 2 . 1 1 44 44 MET CB C 44 32.989 32.989 31.713 1.276 19732 780 1 2 . 1 1 44 44 MET H H 44 8.037 8.037 7.463 0.574 19732 781 1 2 . 1 1 45 45 ASP N N 45 121.980 121.980 123.332 -1.352 19732 782 1 2 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.993 -0.472 19732 783 1 2 . 1 1 45 45 ASP C C 45 176.022 176.022 176.945 -0.923 19732 784 1 2 . 1 1 45 45 ASP CA C 45 54.371 54.371 52.327 2.044 19732 785 1 2 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.061 1.086 19732 786 1 2 . 1 1 45 45 ASP H H 45 8.230 8.230 8.625 -0.395 19732 787 1 2 . 1 1 46 46 LEU N N 46 122.192 122.192 117.860 4.332 19732 788 1 2 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.508 -0.364 19732 789 1 2 . 1 1 46 46 LEU C C 46 177.018 177.018 177.345 -0.327 19732 790 1 2 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.388 0.525 19732 791 1 2 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.933 0.243 19732 792 1 2 . 1 1 46 46 LEU H H 46 8.028 8.028 7.367 0.661 19732 793 1 2 . 1 1 47 47 ASP N N 47 120.573 120.573 119.156 1.417 19732 794 1 2 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.560 -0.035 19732 795 1 2 . 1 1 47 47 ASP C C 47 176.370 176.370 175.569 0.801 19732 796 1 2 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.356 -0.149 19732 797 1 2 . 1 1 47 47 ASP CB C 47 41.154 41.154 38.738 2.416 19732 798 1 2 . 1 1 47 47 ASP H H 47 8.238 8.238 8.427 -0.189 19732 799 1 2 . 1 1 48 48 CYS N N 48 118.464 118.464 118.371 0.093 19732 800 1 2 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.080 0.349 19732 801 1 2 . 1 1 48 48 CYS C C 48 174.340 174.340 174.505 -0.165 19732 802 1 2 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.011 0.502 19732 803 1 2 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.555 0.398 19732 804 1 2 . 1 1 48 48 CYS H H 48 8.068 8.068 7.765 0.303 19732 805 1 2 . 1 1 49 49 SER N N 49 116.784 116.784 116.932 -0.148 19732 806 1 2 . 1 1 49 49 SER HA H 49 4.302 4.302 4.243 0.059 19732 807 1 2 . 1 1 49 49 SER C C 49 173.897 173.897 173.961 -0.064 19732 808 1 2 . 1 1 49 49 SER CA C 49 58.718 58.718 57.907 0.811 19732 809 1 2 . 1 1 49 49 SER CB C 49 63.636 63.636 61.599 2.037 19732 810 1 2 . 1 1 49 49 SER H H 49 8.185 8.185 7.890 0.295 19732 811 1 2 . 1 1 50 50 TYR N N 50 120.886 120.886 119.789 1.097 19732 812 1 2 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.540 -0.028 19732 813 1 2 . 1 1 50 50 TYR C C 50 174.818 174.818 176.578 -1.760 19732 814 1 2 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.317 -0.831 19732 815 1 2 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.060 0.736 19732 816 1 2 . 1 1 50 50 TYR H H 50 7.776 7.776 6.884 0.892 19732 817 1 2 . 1 1 51 51 GLU N N 51 122.800 122.800 120.172 2.628 19732 818 1 2 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.711 -0.156 19732 819 1 2 . 1 1 51 51 GLU C C 51 174.508 174.508 174.618 -0.110 19732 820 1 2 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.749 0.179 19732 821 1 2 . 1 1 51 51 GLU CB C 51 30.225 30.225 29.845 0.380 19732 822 1 2 . 1 1 51 51 GLU H H 51 8.026 8.026 8.159 -0.133 19732 823 1 2 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.459 -0.157 19732 824 1 2 . 1 1 52 52 PRO C C 52 176.065 176.065 177.426 -1.361 19732 825 1 2 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.406 1.278 19732 826 1 2 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.273 -0.710 19732 827 1 2 . 1 1 53 53 SER N N 53 110.611 110.611 115.778 -5.167 19732 828 1 2 . 1 1 53 53 SER HA H 53 4.302 4.302 4.382 -0.080 19732 829 1 2 . 1 1 53 53 SER C C 53 173.858 173.858 174.101 -0.243 19732 830 1 2 . 1 1 53 53 SER CA C 53 58.508 58.508 57.993 0.514 19732 831 1 2 . 1 1 53 53 SER CB C 53 63.636 63.636 61.292 2.344 19732 832 1 2 . 1 1 53 53 SER H H 53 7.934 7.934 8.654 -0.720 19732 833 1 2 . 1 1 54 54 ASN N N 54 121.155 121.155 123.159 -2.004 19732 834 1 2 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.714 0.164 19732 835 1 2 . 1 1 54 54 ASN C C 54 174.167 174.167 174.885 -0.718 19732 836 1 2 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.787 -1.316 19732 837 1 2 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.578 1.426 19732 838 1 2 . 1 1 54 54 ASN H H 54 7.666 7.666 8.028 -0.362 19732 839 1 2 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.041 -0.012 19732 840 1 2 . 1 1 55 55 PRO C C 55 177.787 177.787 178.403 -0.616 19732 841 1 2 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.405 -0.819 19732 842 1 2 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.867 0.495 19732 843 1 2 . 1 1 56 56 GLU N N 56 117.292 117.292 117.497 -0.205 19732 844 1 2 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.358 -0.288 19732 845 1 2 . 1 1 56 56 GLU C C 56 179.258 179.258 179.398 -0.140 19732 846 1 2 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.278 0.194 19732 847 1 2 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.743 0.381 19732 848 1 2 . 1 1 56 56 GLU H H 56 8.153 8.153 9.040 -0.887 19732 849 1 2 . 1 1 57 57 VAL N N 57 120.730 120.730 120.352 0.378 19732 850 1 2 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.703 -0.135 19732 851 1 2 . 1 1 57 57 VAL C C 57 178.039 178.039 178.011 0.028 19732 852 1 2 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.020 -0.055 19732 853 1 2 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.505 0.480 19732 854 1 2 . 1 1 57 57 VAL H H 57 7.556 7.556 7.933 -0.377 19732 855 1 2 . 1 1 58 58 ILE N N 58 119.892 119.892 119.814 0.078 19732 856 1 2 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.691 0.019 19732 857 1 2 . 1 1 58 58 ILE C C 58 178.096 178.096 177.799 0.297 19732 858 1 2 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.442 1.770 19732 859 1 2 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.666 0.652 19732 860 1 2 . 1 1 58 58 ILE H H 58 7.784 7.784 8.206 -0.422 19732 861 1 2 . 1 1 59 59 HIS N N 59 117.644 117.644 120.043 -2.399 19732 862 1 2 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.283 -0.136 19732 863 1 2 . 1 1 59 59 HIS C C 59 177.576 177.576 177.630 -0.054 19732 864 1 2 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.999 0.496 19732 865 1 2 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.430 -0.151 19732 866 1 2 . 1 1 59 59 HIS H H 59 8.350 8.350 8.514 -0.164 19732 867 1 2 . 1 1 60 60 ARG N N 60 118.248 118.248 118.465 -0.217 19732 868 1 2 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.819 0.227 19732 869 1 2 . 1 1 60 60 ARG C C 60 179.642 179.642 178.743 0.899 19732 870 1 2 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.556 0.390 19732 871 1 2 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.101 0.206 19732 872 1 2 . 1 1 60 60 ARG H H 60 7.776 7.776 8.222 -0.446 19732 873 1 2 . 1 1 61 61 GLN N N 61 119.475 119.475 117.703 1.772 19732 874 1 2 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.128 -0.062 19732 875 1 2 . 1 1 61 61 GLN C C 61 178.650 178.650 178.764 -0.114 19732 876 1 2 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.422 0.603 19732 877 1 2 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.779 -0.627 19732 878 1 2 . 1 1 61 61 GLN H H 61 8.460 8.460 7.714 0.746 19732 879 1 2 . 1 1 62 62 LEU N N 62 117.882 117.882 120.970 -3.088 19732 880 1 2 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.143 -0.015 19732 881 1 2 . 1 1 62 62 LEU C C 62 179.260 179.260 179.342 -0.082 19732 882 1 2 . 1 1 62 62 LEU CA C 62 57.995 57.995 57.208 0.787 19732 883 1 2 . 1 1 62 62 LEU CB C 62 41.631 41.631 40.981 0.650 19732 884 1 2 . 1 1 62 62 LEU H H 62 8.742 8.742 8.314 0.428 19732 885 1 2 . 1 1 63 63 ASN N N 63 117.409 117.409 118.104 -0.695 19732 886 1 2 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.308 -0.078 19732 887 1 2 . 1 1 63 63 ASN C C 63 178.050 178.050 177.222 0.828 19732 888 1 2 . 1 1 63 63 ASN CA C 63 56.665 56.665 55.972 0.693 19732 889 1 2 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.243 0.435 19732 890 1 2 . 1 1 63 63 ASN H H 63 8.279 8.279 8.208 0.071 19732 891 1 2 . 1 1 64 64 ARG N N 64 119.753 119.753 118.890 0.863 19732 892 1 2 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.140 -0.098 19732 893 1 2 . 1 1 64 64 ARG C C 64 178.914 178.914 178.735 0.179 19732 894 1 2 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.063 0.797 19732 895 1 2 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.882 -0.113 19732 896 1 2 . 1 1 64 64 ARG H H 64 7.784 7.784 7.677 0.107 19732 897 1 2 . 1 1 65 65 LEU N N 65 120.009 120.009 119.544 0.465 19732 898 1 2 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.109 -0.170 19732 899 1 2 . 1 1 65 65 LEU C C 65 178.481 178.481 178.572 -0.091 19732 900 1 2 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.251 1.056 19732 901 1 2 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.623 0.834 19732 902 1 2 . 1 1 65 65 LEU H H 65 7.779 7.779 7.824 -0.045 19732 903 1 2 . 1 1 66 66 PHE N N 66 118.503 118.503 120.153 -1.650 19732 904 1 2 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.370 -0.395 19732 905 1 2 . 1 1 66 66 PHE C C 66 178.269 178.269 176.190 2.079 19732 906 1 2 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.636 0.201 19732 907 1 2 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.108 -0.357 19732 908 1 2 . 1 1 66 66 PHE H H 66 8.287 8.287 7.603 0.684 19732 909 1 2 . 1 1 67 67 ALA N N 67 119.206 119.206 119.427 -0.221 19732 910 1 2 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.276 -0.377 19732 911 1 2 . 1 1 67 67 ALA C C 67 178.876 178.876 178.925 -0.049 19732 912 1 2 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.558 0.100 19732 913 1 2 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.924 -0.882 19732 914 1 2 . 1 1 67 67 ALA H H 67 7.902 7.902 7.677 0.225 19732 915 1 2 . 1 1 68 68 GLN N N 68 115.534 115.534 117.421 -1.887 19732 916 1 2 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.370 -0.255 19732 917 1 2 . 1 1 68 68 GLN C C 68 177.274 177.274 177.034 0.240 19732 918 1 2 . 1 1 68 68 GLN CA C 68 56.396 56.396 55.894 0.502 19732 919 1 2 . 1 1 68 68 GLN CB C 68 28.841 28.841 30.044 -1.203 19732 920 1 2 . 1 1 68 68 GLN H H 68 7.572 7.572 7.767 -0.195 19732 921 1 2 . 1 1 69 69 GLY N N 69 106.861 106.861 106.836 0.025 19732 922 1 2 . 1 1 69 69 GLY C C 69 173.690 173.690 173.854 -0.164 19732 923 1 2 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.498 -1.611 19732 924 1 2 . 1 1 69 69 GLY H H 69 7.486 7.486 8.155 -0.669 19732 925 1 2 . 1 1 70 70 MET N N 70 119.355 119.355 120.158 -0.803 19732 926 1 2 . 1 1 70 70 MET HA H 70 4.117 4.117 3.002 1.115 19732 927 1 2 . 1 1 70 70 MET C C 70 177.743 177.743 176.423 1.320 19732 928 1 2 . 1 1 70 70 MET CA C 70 57.396 57.396 56.835 0.561 19732 929 1 2 . 1 1 70 70 MET CB C 70 30.638 30.638 30.488 0.150 19732 930 1 2 . 1 1 70 70 MET H H 70 8.245 8.245 8.101 0.144 19732 931 1 2 . 1 1 71 71 ALA N N 71 120.691 120.691 121.490 -0.799 19732 932 1 2 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.034 0.029 19732 933 1 2 . 1 1 71 71 ALA C C 71 181.027 181.027 179.393 1.634 19732 934 1 2 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.546 0.096 19732 935 1 2 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.478 -0.913 19732 936 1 2 . 1 1 71 71 ALA H H 71 8.624 8.624 7.988 0.636 19732 937 1 2 . 1 1 72 72 THR N N 72 116.354 116.354 115.551 0.803 19732 938 1 2 . 1 1 72 72 THR HA H 72 3.825 3.825 4.065 -0.240 19732 939 1 2 . 1 1 72 72 THR C C 72 174.861 174.861 176.367 -1.506 19732 940 1 2 . 1 1 72 72 THR CA C 72 66.992 66.992 66.930 0.062 19732 941 1 2 . 1 1 72 72 THR CB C 72 68.355 68.355 68.521 -0.166 19732 942 1 2 . 1 1 72 72 THR H H 72 7.525 7.525 7.875 -0.350 19732 943 1 2 . 1 1 73 73 TRP N N 73 122.292 122.292 122.689 -0.397 19732 944 1 2 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.265 0.066 19732 945 1 2 . 1 1 73 73 TRP C C 73 176.757 176.757 177.594 -0.837 19732 946 1 2 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.197 -0.638 19732 947 1 2 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.782 0.574 19732 948 1 2 . 1 1 73 73 TRP H H 73 8.090 8.090 8.159 -0.069 19732 949 1 2 . 1 1 74 74 LYS N N 74 115.768 115.768 118.145 -2.377 19732 950 1 2 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.975 -0.236 19732 951 1 2 . 1 1 74 74 LYS C C 74 178.957 178.957 179.474 -0.517 19732 952 1 2 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.214 0.219 19732 953 1 2 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.183 0.139 19732 954 1 2 . 1 1 74 74 LYS H H 74 9.001 9.001 7.840 1.161 19732 955 1 2 . 1 1 75 75 SER N N 75 115.378 115.378 115.613 -0.235 19732 956 1 2 . 1 1 75 75 SER HA H 75 4.211 4.211 4.310 -0.099 19732 957 1 2 . 1 1 75 75 SER C C 75 175.465 175.465 176.408 -0.943 19732 958 1 2 . 1 1 75 75 SER CA C 75 61.999 61.999 61.583 0.416 19732 959 1 2 . 1 1 75 75 SER CB C 75 63.160 63.160 63.095 0.065 19732 960 1 2 . 1 1 75 75 SER H H 75 7.604 7.604 8.288 -0.684 19732 961 1 2 . 1 1 76 76 PHE N N 76 121.707 121.707 124.156 -2.449 19732 962 1 2 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.230 -0.214 19732 963 1 2 . 1 1 76 76 PHE C C 76 175.983 175.983 176.819 -0.836 19732 964 1 2 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.385 0.097 19732 965 1 2 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.921 -0.642 19732 966 1 2 . 1 1 76 76 PHE H H 76 8.200 8.200 8.376 -0.176 19732 967 1 2 . 1 1 77 77 ILE N N 77 117.448 117.448 118.519 -1.071 19732 968 1 2 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.446 -0.115 19732 969 1 2 . 1 1 77 77 ILE C C 77 177.919 177.919 178.043 -0.124 19732 970 1 2 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.751 -3.257 19732 971 1 2 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.196 -1.474 19732 972 1 2 . 1 1 77 77 ILE H H 77 8.193 8.193 8.678 -0.485 19732 973 1 2 . 1 1 78 78 ASN N N 78 119.831 119.831 119.702 0.129 19732 974 1 2 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.369 -0.151 19732 975 1 2 . 1 1 78 78 ASN C C 78 177.228 177.228 177.201 0.027 19732 976 1 2 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.769 1.022 19732 977 1 2 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.635 0.669 19732 978 1 2 . 1 1 78 78 ASN H H 78 8.224 8.224 7.850 0.374 19732 979 1 2 . 1 1 79 79 ASP N N 79 119.402 119.402 121.365 -1.963 19732 980 1 2 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.506 -0.017 19732 981 1 2 . 1 1 79 79 ASP C C 79 177.600 177.600 178.666 -1.066 19732 982 1 2 . 1 1 79 79 ASP CA C 79 57.575 57.575 56.981 0.594 19732 983 1 2 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.483 -0.566 19732 984 1 2 . 1 1 79 79 ASP H H 79 8.028 8.028 7.631 0.397 19732 985 1 2 . 1 1 80 80 LEU N N 80 122.293 122.293 121.610 0.683 19732 986 1 2 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.508 -0.020 19732 987 1 2 . 1 1 80 80 LEU C C 80 178.561 178.561 178.503 0.058 19732 988 1 2 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.361 0.971 19732 989 1 2 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.126 1.254 19732 990 1 2 . 1 1 80 80 LEU H H 80 8.491 8.491 8.353 0.138 19732 991 1 2 . 1 1 81 81 CYS N N 81 114.479 114.479 116.172 -1.693 19732 992 1 2 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.055 -0.124 19732 993 1 2 . 1 1 81 81 CYS C C 81 176.754 176.754 177.097 -0.343 19732 994 1 2 . 1 1 81 81 CYS CA C 81 63.543 63.543 64.215 -0.672 19732 995 1 2 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.049 -0.393 19732 996 1 2 . 1 1 81 81 CYS H H 81 8.169 8.169 8.055 0.114 19732 997 1 2 . 1 1 82 82 PHE N N 82 115.964 115.964 120.875 -4.911 19732 998 1 2 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.251 0.071 19732 999 1 2 . 1 1 82 82 PHE C C 82 178.485 178.485 176.789 1.696 19732 1000 1 2 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.352 -0.476 19732 1001 1 2 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.771 0.060 19732 1002 1 2 . 1 1 82 82 PHE H H 82 7.863 7.863 7.789 0.074 19732 1003 1 2 . 1 1 83 83 GLU N N 83 116.314 116.314 118.332 -2.018 19732 1004 1 2 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.187 -0.142 19732 1005 1 2 . 1 1 83 83 GLU C C 83 177.877 177.877 177.966 -0.089 19732 1006 1 2 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.567 0.178 19732 1007 1 2 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.326 -0.048 19732 1008 1 2 . 1 1 83 83 GLU H H 83 9.049 9.049 8.625 0.424 19732 1009 1 2 . 1 1 84 84 LEU N N 84 116.042 116.042 117.952 -1.910 19732 1010 1 2 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.022 0.215 19732 1011 1 2 . 1 1 84 84 LEU C C 84 175.868 175.868 176.983 -1.115 19732 1012 1 2 . 1 1 84 84 LEU CA C 84 53.657 53.657 55.944 -2.287 19732 1013 1 2 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.505 -2.401 19732 1014 1 2 . 1 1 84 84 LEU H H 84 7.713 7.713 7.428 0.285 19732 1015 1 2 . 1 1 85 85 ASP N N 85 116.940 116.940 117.328 -0.388 19732 1016 1 2 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.700 -0.450 19732 1017 1 2 . 1 1 85 85 ASP C C 85 174.424 174.424 174.212 0.212 19732 1018 1 2 . 1 1 85 85 ASP CA C 85 54.685 54.685 52.900 1.785 19732 1019 1 2 . 1 1 85 85 ASP CB C 85 38.821 38.821 44.664 -5.843 19732 1020 1 2 . 1 1 85 85 ASP H H 85 7.164 7.164 7.387 -0.223 19732 1021 1 2 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.298 0.108 19732 1022 1 2 . 1 1 87 87 PRO C C 87 177.572 177.572 176.606 0.966 19732 1023 1 2 . 1 1 87 87 PRO CA C 87 63.159 63.159 64.129 -0.970 19732 1024 1 2 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.146 1.113 19732 1025 1 2 . 1 1 88 88 LEU N N 88 122.410 122.410 123.593 -1.183 19732 1026 1 2 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.097 -0.166 19732 1027 1 2 . 1 1 88 88 LEU C C 88 179.214 179.214 178.125 1.089 19732 1028 1 2 . 1 1 88 88 LEU CA C 88 57.281 57.281 56.029 1.252 19732 1029 1 2 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.225 -1.145 19732 1030 1 2 . 1 1 88 88 LEU H H 88 8.271 8.271 8.119 0.152 19732 1031 1 2 . 1 1 91 91 GLU N N 91 121.224 121.224 120.936 0.288 19732 1032 1 2 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.216 -0.679 19732 1033 1 2 . 1 1 91 91 GLU C C 91 176.926 176.926 178.177 -1.251 19732 1034 1 2 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.100 1.979 19732 1035 1 2 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.187 0.298 19732 1036 1 2 . 1 1 91 91 GLU H H 91 7.775 7.775 8.253 -0.478 19732 1037 1 2 . 1 1 92 92 ILE N N 92 115.836 115.836 120.595 -4.759 19732 1038 1 2 . 1 1 92 92 ILE HA H 92 3.910 3.910 3.974 -0.064 19732 1039 1 2 . 1 1 92 92 ILE C C 92 177.704 177.704 175.613 2.091 19732 1040 1 2 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.589 1.441 19732 1041 1 2 . 1 1 92 92 ILE CB C 92 34.451 34.451 35.038 -0.587 19732 1042 1 2 . 1 1 92 92 ILE H H 92 8.259 8.259 8.298 -0.039 19732 1043 1 2 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.292 -0.175 19732 1044 1 2 . 1 1 93 93 PRO C C 93 178.653 178.653 178.001 0.652 19732 1045 1 2 . 1 1 93 93 PRO CA C 93 66.003 66.003 65.822 0.181 19732 1046 1 2 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.148 -0.012 19732 1047 1 2 . 1 1 94 94 LEU N N 94 114.952 114.952 115.442 -0.490 19732 1048 1 2 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.513 -0.387 19732 1049 1 2 . 1 1 94 94 LEU C C 94 180.119 180.119 179.167 0.952 19732 1050 1 2 . 1 1 94 94 LEU CA C 94 57.785 57.785 56.392 1.393 19732 1051 1 2 . 1 1 94 94 LEU CB C 94 42.760 42.760 42.029 0.730 19732 1052 1 2 . 1 1 94 94 LEU H H 94 7.657 7.657 7.821 -0.164 19732 1053 1 2 . 1 1 95 95 VAL N N 95 119.986 119.986 118.866 1.120 19732 1054 1 2 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.246 -0.238 19732 1055 1 2 . 1 1 95 95 VAL C C 95 177.559 177.559 178.255 -0.696 19732 1056 1 2 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.248 0.418 19732 1057 1 2 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.297 0.417 19732 1058 1 2 . 1 1 95 95 VAL H H 95 8.873 8.873 8.151 0.722 19732 1059 1 2 . 1 1 96 96 SER N N 96 111.863 111.863 114.953 -3.090 19732 1060 1 2 . 1 1 96 96 SER HA H 96 4.598 4.598 4.375 0.223 19732 1061 1 2 . 1 1 96 96 SER C C 96 175.113 175.113 176.139 -1.026 19732 1062 1 2 . 1 1 96 96 SER CA C 96 59.163 59.163 60.462 -1.299 19732 1063 1 2 . 1 1 96 96 SER CB C 96 63.552 63.552 63.131 0.421 19732 1064 1 2 . 1 1 96 96 SER H H 96 7.823 7.823 8.076 -0.253 19732 1065 1 2 . 1 1 97 97 ILE N N 97 120.300 120.300 122.532 -2.232 19732 1066 1 2 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.949 -0.130 19732 1067 1 2 . 1 1 97 97 ILE C C 97 174.601 174.601 176.549 -1.948 19732 1068 1 2 . 1 1 97 97 ILE CA C 97 63.804 63.804 61.896 1.908 19732 1069 1 2 . 1 1 97 97 ILE CB C 97 39.059 39.059 37.820 1.239 19732 1070 1 2 . 1 1 97 97 ILE H H 97 7.014 7.014 7.692 -0.678 19732 1071 1 2 . 1 1 98 98 TRP N N 98 120.222 120.222 120.682 -0.460 19732 1072 1 2 . 1 1 98 98 TRP HA H 98 4.062 4.062 3.586 0.476 19732 1073 1 2 . 1 1 98 98 TRP C C 98 176.502 176.502 175.759 0.743 19732 1074 1 2 . 1 1 98 98 TRP CA C 98 57.790 57.790 59.487 -1.698 19732 1075 1 2 . 1 1 98 98 TRP CB C 98 28.963 28.963 29.826 -0.863 19732 1076 1 2 . 1 1 98 98 TRP H H 98 7.651 7.651 7.373 0.278 19732 1077 1 2 . 1 1 99 99 GLY N N 99 109.003 109.003 103.685 5.318 19732 1078 1 2 . 1 1 99 99 GLY C C 99 170.846 170.846 171.640 -0.794 19732 1079 1 2 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.417 0.220 19732 1080 1 2 . 1 1 99 99 GLY H H 99 7.240 7.240 7.494 -0.254 19732 1081 1 2 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.686 -0.387 19732 1082 1 2 . 1 1 100 100 PRO C C 100 176.200 176.200 175.808 0.392 19732 1083 1 2 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.714 0.290 19732 1084 1 2 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.209 0.599 19732 1085 1 3 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.513 -0.103 19732 1086 1 3 . 1 1 2 2 PRO C C 2 176.929 176.929 176.154 0.775 19732 1087 1 3 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.903 0.238 19732 1088 1 3 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.518 0.716 19732 1089 1 3 . 1 1 3 3 LEU N N 3 121.746 121.746 121.419 0.327 19732 1090 1 3 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.101 0.176 19732 1091 1 3 . 1 1 3 3 LEU C C 3 177.789 177.789 177.250 0.539 19732 1092 1 3 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.648 0.719 19732 1093 1 3 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.148 0.009 19732 1094 1 3 . 1 1 3 3 LEU H H 3 8.420 8.420 8.078 0.342 19732 1095 1 3 . 1 1 4 4 GLY N N 4 109.400 109.400 107.931 1.469 19732 1096 1 3 . 1 1 4 4 GLY C C 4 174.208 174.208 174.314 -0.106 19732 1097 1 3 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.282 -0.027 19732 1098 1 3 . 1 1 4 4 GLY H H 4 8.326 8.326 8.494 -0.168 19732 1099 1 3 . 1 1 5 5 SER N N 5 115.339 115.339 119.168 -3.829 19732 1100 1 3 . 1 1 5 5 SER HA H 5 4.363 4.363 4.152 0.211 19732 1101 1 3 . 1 1 5 5 SER C C 5 174.549 174.549 174.456 0.093 19732 1102 1 3 . 1 1 5 5 SER CA C 5 58.443 58.443 59.037 -0.594 19732 1103 1 3 . 1 1 5 5 SER CB C 5 63.773 63.773 63.037 0.736 19732 1104 1 3 . 1 1 5 5 SER H H 5 8.098 8.098 8.279 -0.181 19732 1105 1 3 . 1 1 6 6 MET N N 6 121.404 121.404 126.655 -5.251 19732 1106 1 3 . 1 1 6 6 MET HA H 6 4.427 4.427 4.457 -0.030 19732 1107 1 3 . 1 1 6 6 MET C C 6 175.724 175.724 174.600 1.124 19732 1108 1 3 . 1 1 6 6 MET CA C 6 55.612 55.612 55.526 0.086 19732 1109 1 3 . 1 1 6 6 MET CB C 6 32.874 32.874 31.501 1.373 19732 1110 1 3 . 1 1 6 6 MET H H 6 8.326 8.326 8.801 -0.475 19732 1111 1 3 . 1 1 7 7 ASP N N 7 120.769 120.769 119.312 1.457 19732 1112 1 3 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.883 -0.366 19732 1113 1 3 . 1 1 7 7 ASP C C 7 176.111 176.111 175.931 0.180 19732 1114 1 3 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.371 -0.235 19732 1115 1 3 . 1 1 7 7 ASP CB C 7 41.285 41.285 42.523 -1.238 19732 1116 1 3 . 1 1 7 7 ASP H H 7 8.114 8.114 8.320 -0.206 19732 1117 1 3 . 1 1 8 8 ALA N N 8 123.543 123.543 122.755 0.788 19732 1118 1 3 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.071 -0.012 19732 1119 1 3 . 1 1 8 8 ALA C C 8 178.788 178.788 178.737 0.051 19732 1120 1 3 . 1 1 8 8 ALA CA C 8 53.931 53.931 55.152 -1.221 19732 1121 1 3 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.623 0.304 19732 1122 1 3 . 1 1 8 8 ALA H H 8 8.248 8.248 7.774 0.474 19732 1123 1 3 . 1 1 9 9 GLU N N 9 118.034 118.034 117.885 0.149 19732 1124 1 3 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.964 0.162 19732 1125 1 3 . 1 1 9 9 GLU C C 9 177.485 177.485 178.979 -1.494 19732 1126 1 3 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.454 -1.614 19732 1127 1 3 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.104 1.498 19732 1128 1 3 . 1 1 9 9 GLU H H 9 8.255 8.255 8.857 -0.602 19732 1129 1 3 . 1 1 10 10 SER N N 10 115.260 115.260 115.439 -0.179 19732 1130 1 3 . 1 1 10 10 SER HA H 10 4.232 4.232 4.187 0.045 19732 1131 1 3 . 1 1 10 10 SER C C 10 175.552 175.552 175.556 -0.004 19732 1132 1 3 . 1 1 10 10 SER CA C 10 60.015 60.015 60.949 -0.934 19732 1133 1 3 . 1 1 10 10 SER CB C 10 63.225 63.225 62.773 0.452 19732 1134 1 3 . 1 1 10 10 SER H H 10 7.992 7.992 7.894 0.098 19732 1135 1 3 . 1 1 11 11 ILE N N 11 121.199 121.199 119.251 1.948 19732 1136 1 3 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.014 -0.124 19732 1137 1 3 . 1 1 11 11 ILE C C 11 176.411 176.411 177.155 -0.744 19732 1138 1 3 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.461 0.289 19732 1139 1 3 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.273 -0.000 19732 1140 1 3 . 1 1 11 11 ILE H H 11 7.729 7.729 7.439 0.290 19732 1141 1 3 . 1 1 12 12 ARG N N 12 121.248 121.248 117.808 3.440 19732 1142 1 3 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.240 -0.127 19732 1143 1 3 . 1 1 12 12 ARG C C 12 176.970 176.970 176.281 0.689 19732 1144 1 3 . 1 1 12 12 ARG CA C 12 57.077 57.077 57.486 -0.409 19732 1145 1 3 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.270 -0.774 19732 1146 1 3 . 1 1 12 12 ARG H H 12 7.853 7.853 8.060 -0.207 19732 1147 1 3 . 1 1 13 13 LEU N N 13 120.701 120.701 118.598 2.103 19732 1148 1 3 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.594 -0.376 19732 1149 1 3 . 1 1 13 13 LEU C C 13 177.620 177.620 173.844 3.776 19732 1150 1 3 . 1 1 13 13 LEU CA C 13 55.297 55.297 54.928 0.369 19732 1151 1 3 . 1 1 13 13 LEU CB C 13 42.174 42.174 43.758 -1.583 19732 1152 1 3 . 1 1 13 13 LEU H H 13 8.020 8.020 7.695 0.325 19732 1153 1 3 . 1 1 16 16 GLU N N 16 120.417 120.417 121.989 -1.572 19732 1154 1 3 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.042 0.083 19732 1155 1 3 . 1 1 16 16 GLU C C 16 178.929 178.929 178.380 0.549 19732 1156 1 3 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.624 -0.019 19732 1157 1 3 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.605 -0.214 19732 1158 1 3 . 1 1 16 16 GLU H H 16 8.465 8.465 8.998 -0.533 19732 1159 1 3 . 1 1 17 17 ASN N N 17 118.855 118.855 118.163 0.692 19732 1160 1 3 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.612 0.007 19732 1161 1 3 . 1 1 17 17 ASN C C 17 177.835 177.835 177.653 0.182 19732 1162 1 3 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.223 -0.685 19732 1163 1 3 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.703 -0.492 19732 1164 1 3 . 1 1 17 17 ASN H H 17 8.428 8.428 9.077 -0.649 19732 1165 1 3 . 1 1 18 18 LEU N N 18 123.972 123.972 120.635 3.337 19732 1166 1 3 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.296 -0.076 19732 1167 1 3 . 1 1 18 18 LEU C C 18 178.248 178.248 178.499 -0.251 19732 1168 1 3 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.747 0.138 19732 1169 1 3 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.705 -0.008 19732 1170 1 3 . 1 1 18 18 LEU H H 18 8.208 8.208 7.664 0.544 19732 1171 1 3 . 1 1 19 19 TRP N N 19 119.362 119.362 121.623 -2.261 19732 1172 1 3 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.293 -0.127 19732 1173 1 3 . 1 1 19 19 TRP C C 19 177.617 177.617 177.738 -0.121 19732 1174 1 3 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.695 0.201 19732 1175 1 3 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.989 -0.562 19732 1176 1 3 . 1 1 19 19 TRP H H 19 8.316 8.316 7.619 0.697 19732 1177 1 3 . 1 1 20 20 ALA N N 20 118.581 118.581 121.735 -3.154 19732 1178 1 3 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.959 0.091 19732 1179 1 3 . 1 1 20 20 ALA C C 20 180.422 180.422 179.223 1.199 19732 1180 1 3 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.328 -0.163 19732 1181 1 3 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.870 0.170 19732 1182 1 3 . 1 1 20 20 ALA H H 20 7.957 7.957 8.533 -0.576 19732 1183 1 3 . 1 1 21 21 TRP N N 21 119.753 119.753 120.663 -0.910 19732 1184 1 3 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.274 -0.381 19732 1185 1 3 . 1 1 21 21 TRP C C 21 177.494 177.494 177.693 -0.199 19732 1186 1 3 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.853 2.245 19732 1187 1 3 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.715 -1.073 19732 1188 1 3 . 1 1 21 21 TRP H H 21 8.043 8.043 8.069 -0.026 19732 1189 1 3 . 1 1 22 22 LEU N N 22 122.136 122.136 121.296 0.840 19732 1190 1 3 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.429 0.010 19732 1191 1 3 . 1 1 22 22 LEU C C 22 178.075 178.075 178.486 -0.411 19732 1192 1 3 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.902 -0.147 19732 1193 1 3 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.677 0.293 19732 1194 1 3 . 1 1 22 22 LEU H H 22 8.553 8.553 8.152 0.401 19732 1195 1 3 . 1 1 23 23 VAL N N 23 118.034 118.034 118.811 -0.777 19732 1196 1 3 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.232 0.081 19732 1197 1 3 . 1 1 23 23 VAL C C 23 178.401 178.401 177.857 0.544 19732 1198 1 3 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.577 0.547 19732 1199 1 3 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.221 0.079 19732 1200 1 3 . 1 1 23 23 VAL H H 23 8.341 8.341 8.296 0.045 19732 1201 1 3 . 1 1 24 24 ARG N N 24 120.377 120.377 119.167 1.210 19732 1202 1 3 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.986 -0.172 19732 1203 1 3 . 1 1 24 24 ARG C C 24 179.205 179.205 178.599 0.606 19732 1204 1 3 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.224 1.880 19732 1205 1 3 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.703 0.332 19732 1206 1 3 . 1 1 24 24 ARG H H 24 7.856 7.856 7.915 -0.059 19732 1207 1 3 . 1 1 25 25 LEU N N 25 121.668 121.668 120.534 1.134 19732 1208 1 3 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.939 -0.276 19732 1209 1 3 . 1 1 25 25 LEU C C 25 179.943 179.943 179.433 0.510 19732 1210 1 3 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.392 0.656 19732 1211 1 3 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.846 0.182 19732 1212 1 3 . 1 1 25 25 LEU H H 25 7.838 7.838 7.993 -0.155 19732 1213 1 3 . 1 1 26 26 LEU N N 26 118.308 118.308 118.080 0.228 19732 1214 1 3 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.034 -0.123 19732 1215 1 3 . 1 1 26 26 LEU C C 26 179.471 179.471 179.401 0.070 19732 1216 1 3 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.278 0.195 19732 1217 1 3 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.930 0.099 19732 1218 1 3 . 1 1 26 26 LEU H H 26 8.247 8.247 8.414 -0.167 19732 1219 1 3 . 1 1 27 27 SER N N 27 115.768 115.768 114.470 1.298 19732 1220 1 3 . 1 1 27 27 SER HA H 27 4.020 4.020 4.300 -0.280 19732 1221 1 3 . 1 1 27 27 SER C C 27 174.990 174.990 175.399 -0.409 19732 1222 1 3 . 1 1 27 27 SER CA C 27 61.755 61.755 60.655 1.100 19732 1223 1 3 . 1 1 27 27 SER CB C 27 62.755 62.755 62.889 -0.134 19732 1224 1 3 . 1 1 27 27 SER H H 27 8.436 8.436 8.288 0.148 19732 1225 1 3 . 1 1 28 28 LYS N N 28 117.644 117.644 118.675 -1.031 19732 1226 1 3 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.304 0.010 19732 1227 1 3 . 1 1 28 28 LYS C C 28 175.979 175.979 176.326 -0.347 19732 1228 1 3 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.556 -0.369 19732 1229 1 3 . 1 1 28 28 LYS CB C 28 32.791 32.791 33.239 -0.447 19732 1230 1 3 . 1 1 28 28 LYS H H 28 7.014 7.014 7.383 -0.369 19732 1231 1 3 . 1 1 29 29 ASN N N 29 118.347 118.347 117.462 0.885 19732 1232 1 3 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.271 0.011 19732 1233 1 3 . 1 1 29 29 ASN C C 29 171.835 171.835 173.421 -1.586 19732 1234 1 3 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.494 0.831 19732 1235 1 3 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.710 1.916 19732 1236 1 3 . 1 1 29 29 ASN H H 29 7.611 7.611 7.826 -0.215 19732 1237 1 3 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.471 -0.020 19732 1238 1 3 . 1 1 30 30 PRO C C 30 179.560 179.560 178.428 1.132 19732 1239 1 3 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.068 0.801 19732 1240 1 3 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.950 -0.548 19732 1241 1 3 . 1 1 31 31 GLU N N 31 119.636 119.636 118.244 1.392 19732 1242 1 3 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.103 0.023 19732 1243 1 3 . 1 1 31 31 GLU C C 31 179.253 179.253 178.846 0.407 19732 1244 1 3 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.697 -0.025 19732 1245 1 3 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.059 -0.694 19732 1246 1 3 . 1 1 31 31 GLU H H 31 8.593 8.593 8.998 -0.405 19732 1247 1 3 . 1 1 32 32 TRP N N 32 122.293 122.293 121.733 0.560 19732 1248 1 3 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.392 -0.359 19732 1249 1 3 . 1 1 32 32 TRP C C 32 178.055 178.055 177.990 0.065 19732 1250 1 3 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.104 0.752 19732 1251 1 3 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.844 -0.728 19732 1252 1 3 . 1 1 32 32 TRP H H 32 7.933 7.933 7.661 0.272 19732 1253 1 3 . 1 1 33 33 LEU N N 33 117.409 117.409 120.225 -2.816 19732 1254 1 3 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.764 0.126 19732 1255 1 3 . 1 1 33 33 LEU C C 33 177.934 177.934 178.950 -1.016 19732 1256 1 3 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.220 -0.042 19732 1257 1 3 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.256 0.302 19732 1258 1 3 . 1 1 33 33 LEU H H 33 8.012 8.012 8.369 -0.357 19732 1259 1 3 . 1 1 34 34 SER N N 34 113.257 113.257 115.144 -1.887 19732 1260 1 3 . 1 1 34 34 SER HA H 34 3.975 3.975 4.037 -0.062 19732 1261 1 3 . 1 1 34 34 SER C C 34 176.363 176.363 176.604 -0.241 19732 1262 1 3 . 1 1 34 34 SER CA C 34 62.194 62.194 62.227 -0.033 19732 1263 1 3 . 1 1 34 34 SER CB C 34 62.739 62.739 62.585 0.154 19732 1264 1 3 . 1 1 34 34 SER H H 34 8.335 8.335 8.372 -0.037 19732 1265 1 3 . 1 1 35 35 ALA N N 35 121.511 121.511 123.665 -2.154 19732 1266 1 3 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.842 0.115 19732 1267 1 3 . 1 1 35 35 ALA C C 35 180.728 180.728 179.147 1.581 19732 1268 1 3 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.883 0.006 19732 1269 1 3 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.209 -0.434 19732 1270 1 3 . 1 1 35 35 ALA H H 35 7.391 7.391 7.387 0.004 19732 1271 1 3 . 1 1 36 36 LYS N N 36 118.386 118.386 117.402 0.984 19732 1272 1 3 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.006 -0.172 19732 1273 1 3 . 1 1 36 36 LYS C C 36 179.578 179.578 179.047 0.531 19732 1274 1 3 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.738 -1.141 19732 1275 1 3 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.875 -1.392 19732 1276 1 3 . 1 1 36 36 LYS H H 36 7.823 7.823 7.433 0.390 19732 1277 1 3 . 1 1 37 37 LEU N N 37 119.480 119.480 119.546 -0.066 19732 1278 1 3 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.091 -0.201 19732 1279 1 3 . 1 1 37 37 LEU C C 37 178.529 178.529 178.787 -0.258 19732 1280 1 3 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.182 0.465 19732 1281 1 3 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.282 -0.134 19732 1282 1 3 . 1 1 37 37 LEU H H 37 8.725 8.725 8.544 0.181 19732 1283 1 3 . 1 1 38 38 ARG N N 38 115.612 115.612 116.781 -1.169 19732 1284 1 3 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.013 -0.016 19732 1285 1 3 . 1 1 38 38 ARG C C 38 177.661 177.661 177.380 0.281 19732 1286 1 3 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.956 -0.444 19732 1287 1 3 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.840 0.095 19732 1288 1 3 . 1 1 38 38 ARG H H 38 7.446 7.446 7.589 -0.143 19732 1289 1 3 . 1 1 39 39 SER N N 39 111.883 111.883 113.286 -1.403 19732 1290 1 3 . 1 1 39 39 SER HA H 39 4.160 4.160 4.185 -0.025 19732 1291 1 3 . 1 1 39 39 SER C C 39 175.401 175.401 175.701 -0.300 19732 1292 1 3 . 1 1 39 39 SER CA C 39 60.359 60.359 59.806 0.553 19732 1293 1 3 . 1 1 39 39 SER CB C 39 63.228 63.228 63.351 -0.123 19732 1294 1 3 . 1 1 39 39 SER H H 39 7.353 7.353 7.470 -0.117 19732 1295 1 3 . 1 1 40 40 PHE N N 40 117.136 117.136 119.578 -2.442 19732 1296 1 3 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.426 0.188 19732 1297 1 3 . 1 1 40 40 PHE C C 40 175.852 175.852 176.062 -0.210 19732 1298 1 3 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.279 -0.569 19732 1299 1 3 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.659 2.035 19732 1300 1 3 . 1 1 40 40 PHE H H 40 7.792 7.792 7.515 0.277 19732 1301 1 3 . 1 1 41 41 LEU N N 41 119.050 119.050 119.084 -0.034 19732 1302 1 3 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.601 0.276 19732 1303 1 3 . 1 1 41 41 LEU C C 41 174.510 174.510 176.171 -1.661 19732 1304 1 3 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.738 -0.646 19732 1305 1 3 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.343 0.694 19732 1306 1 3 . 1 1 41 41 LEU H H 41 8.114 8.114 8.035 0.079 19732 1307 1 3 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.374 -0.072 19732 1308 1 3 . 1 1 42 42 PRO C C 42 177.620 177.620 177.804 -0.184 19732 1309 1 3 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.658 -0.887 19732 1310 1 3 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.041 -0.360 19732 1311 1 3 . 1 1 43 43 THR N N 43 109.752 109.752 110.220 -0.468 19732 1312 1 3 . 1 1 43 43 THR HA H 43 4.256 4.256 4.283 -0.027 19732 1313 1 3 . 1 1 43 43 THR C C 43 174.467 174.467 173.828 0.639 19732 1314 1 3 . 1 1 43 43 THR CA C 43 61.657 61.657 61.206 0.451 19732 1315 1 3 . 1 1 43 43 THR CB C 43 69.450 69.450 68.957 0.492 19732 1316 1 3 . 1 1 43 43 THR H H 43 7.671 7.671 7.875 -0.204 19732 1317 1 3 . 1 1 44 44 MET N N 44 121.568 121.568 120.429 1.139 19732 1318 1 3 . 1 1 44 44 MET HA H 44 4.363 4.363 4.104 0.259 19732 1319 1 3 . 1 1 44 44 MET C C 44 175.373 175.373 174.866 0.507 19732 1320 1 3 . 1 1 44 44 MET CA C 44 55.710 55.710 55.982 -0.272 19732 1321 1 3 . 1 1 44 44 MET CB C 44 32.989 32.989 31.887 1.102 19732 1322 1 3 . 1 1 44 44 MET H H 44 8.037 8.037 7.305 0.732 19732 1323 1 3 . 1 1 45 45 ASP N N 45 121.980 121.980 119.366 2.614 19732 1324 1 3 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.649 -0.128 19732 1325 1 3 . 1 1 45 45 ASP C C 45 176.022 176.022 175.774 0.248 19732 1326 1 3 . 1 1 45 45 ASP CA C 45 54.371 54.371 52.837 1.534 19732 1327 1 3 . 1 1 45 45 ASP CB C 45 41.147 41.147 38.903 2.244 19732 1328 1 3 . 1 1 45 45 ASP H H 45 8.230 8.230 8.664 -0.434 19732 1329 1 3 . 1 1 46 46 LEU N N 46 122.192 122.192 115.189 7.003 19732 1330 1 3 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.476 -0.332 19732 1331 1 3 . 1 1 46 46 LEU C C 46 177.018 177.018 177.281 -0.263 19732 1332 1 3 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.950 -0.037 19732 1333 1 3 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.203 -0.027 19732 1334 1 3 . 1 1 46 46 LEU H H 46 8.028 8.028 7.245 0.783 19732 1335 1 3 . 1 1 47 47 ASP N N 47 120.573 120.573 117.518 3.055 19732 1336 1 3 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.581 -0.056 19732 1337 1 3 . 1 1 47 47 ASP C C 47 176.370 176.370 176.017 0.353 19732 1338 1 3 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.904 -0.697 19732 1339 1 3 . 1 1 47 47 ASP CB C 47 41.154 41.154 41.116 0.038 19732 1340 1 3 . 1 1 47 47 ASP H H 47 8.238 8.238 8.482 -0.244 19732 1341 1 3 . 1 1 48 48 CYS N N 48 118.464 118.464 119.144 -0.680 19732 1342 1 3 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.479 -0.050 19732 1343 1 3 . 1 1 48 48 CYS C C 48 174.340 174.340 174.295 0.045 19732 1344 1 3 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.100 0.413 19732 1345 1 3 . 1 1 48 48 CYS CB C 48 27.953 27.953 26.573 1.380 19732 1346 1 3 . 1 1 48 48 CYS H H 48 8.068 8.068 7.378 0.690 19732 1347 1 3 . 1 1 49 49 SER N N 49 116.784 116.784 117.953 -1.169 19732 1348 1 3 . 1 1 49 49 SER HA H 49 4.302 4.302 3.999 0.303 19732 1349 1 3 . 1 1 49 49 SER C C 49 173.897 173.897 174.528 -0.631 19732 1350 1 3 . 1 1 49 49 SER CA C 49 58.718 58.718 58.892 -0.174 19732 1351 1 3 . 1 1 49 49 SER CB C 49 63.636 63.636 62.303 1.333 19732 1352 1 3 . 1 1 49 49 SER H H 49 8.185 8.185 7.843 0.342 19732 1353 1 3 . 1 1 50 50 TYR N N 50 120.886 120.886 122.825 -1.939 19732 1354 1 3 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.443 0.069 19732 1355 1 3 . 1 1 50 50 TYR C C 50 174.818 174.818 176.269 -1.451 19732 1356 1 3 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.053 -0.567 19732 1357 1 3 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.175 0.621 19732 1358 1 3 . 1 1 50 50 TYR H H 50 7.776 7.776 7.181 0.595 19732 1359 1 3 . 1 1 51 51 GLU N N 51 122.800 122.800 117.962 4.838 19732 1360 1 3 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.762 -0.207 19732 1361 1 3 . 1 1 51 51 GLU C C 51 174.508 174.508 174.231 0.277 19732 1362 1 3 . 1 1 51 51 GLU CA C 51 53.928 53.928 52.984 0.944 19732 1363 1 3 . 1 1 51 51 GLU CB C 51 30.225 30.225 32.338 -2.113 19732 1364 1 3 . 1 1 51 51 GLU H H 51 8.026 8.026 7.623 0.403 19732 1365 1 3 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.444 -0.142 19732 1366 1 3 . 1 1 52 52 PRO C C 52 176.065 176.065 177.141 -1.076 19732 1367 1 3 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.899 0.785 19732 1368 1 3 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.319 -0.756 19732 1369 1 3 . 1 1 53 53 SER N N 53 110.611 110.611 113.110 -2.499 19732 1370 1 3 . 1 1 53 53 SER HA H 53 4.302 4.302 4.301 0.001 19732 1371 1 3 . 1 1 53 53 SER C C 53 173.858 173.858 174.040 -0.182 19732 1372 1 3 . 1 1 53 53 SER CA C 53 58.508 58.508 58.267 0.241 19732 1373 1 3 . 1 1 53 53 SER CB C 53 63.636 63.636 61.070 2.566 19732 1374 1 3 . 1 1 53 53 SER H H 53 7.934 7.934 8.495 -0.561 19732 1375 1 3 . 1 1 54 54 ASN N N 54 121.155 121.155 122.215 -1.060 19732 1376 1 3 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.905 -0.027 19732 1377 1 3 . 1 1 54 54 ASN C C 54 174.167 174.167 175.239 -1.072 19732 1378 1 3 . 1 1 54 54 ASN CA C 54 51.471 51.471 51.693 -0.222 19732 1379 1 3 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.364 0.640 19732 1380 1 3 . 1 1 54 54 ASN H H 54 7.666 7.666 8.145 -0.479 19732 1381 1 3 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.255 -0.226 19732 1382 1 3 . 1 1 55 55 PRO C C 55 177.787 177.787 178.356 -0.569 19732 1383 1 3 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.925 -0.339 19732 1384 1 3 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.014 0.349 19732 1385 1 3 . 1 1 56 56 GLU N N 56 117.292 117.292 117.009 0.283 19732 1386 1 3 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.332 -0.262 19732 1387 1 3 . 1 1 56 56 GLU C C 56 179.258 179.258 178.538 0.720 19732 1388 1 3 . 1 1 56 56 GLU CA C 56 59.472 59.472 58.902 0.570 19732 1389 1 3 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.026 0.098 19732 1390 1 3 . 1 1 56 56 GLU H H 56 8.153 8.153 8.778 -0.625 19732 1391 1 3 . 1 1 57 57 VAL N N 57 120.730 120.730 120.998 -0.268 19732 1392 1 3 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.849 -0.281 19732 1393 1 3 . 1 1 57 57 VAL C C 57 178.039 178.039 177.852 0.187 19732 1394 1 3 . 1 1 57 57 VAL CA C 57 65.965 65.965 65.953 0.012 19732 1395 1 3 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.949 0.036 19732 1396 1 3 . 1 1 57 57 VAL H H 57 7.556 7.556 7.638 -0.082 19732 1397 1 3 . 1 1 58 58 ILE N N 58 119.892 119.892 119.811 0.081 19732 1398 1 3 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.980 -0.270 19732 1399 1 3 . 1 1 58 58 ILE C C 58 178.096 178.096 178.251 -0.155 19732 1400 1 3 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.150 2.062 19732 1401 1 3 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.206 1.112 19732 1402 1 3 . 1 1 58 58 ILE H H 58 7.784 7.784 8.302 -0.518 19732 1403 1 3 . 1 1 59 59 HIS N N 59 117.644 117.644 119.840 -2.196 19732 1404 1 3 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.506 -0.359 19732 1405 1 3 . 1 1 59 59 HIS C C 59 177.576 177.576 177.402 0.174 19732 1406 1 3 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.926 -0.431 19732 1407 1 3 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.524 -0.245 19732 1408 1 3 . 1 1 59 59 HIS H H 59 8.350 8.350 8.331 0.019 19732 1409 1 3 . 1 1 60 60 ARG N N 60 118.248 118.248 119.494 -1.246 19732 1410 1 3 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.915 0.131 19732 1411 1 3 . 1 1 60 60 ARG C C 60 179.642 179.642 178.439 1.203 19732 1412 1 3 . 1 1 60 60 ARG CA C 60 59.946 59.946 58.869 1.077 19732 1413 1 3 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.230 1.077 19732 1414 1 3 . 1 1 60 60 ARG H H 60 7.776 7.776 7.854 -0.078 19732 1415 1 3 . 1 1 61 61 GLN N N 61 119.475 119.475 118.344 1.131 19732 1416 1 3 . 1 1 61 61 GLN HA H 61 4.066 4.066 3.996 0.070 19732 1417 1 3 . 1 1 61 61 GLN C C 61 178.650 178.650 178.627 0.023 19732 1418 1 3 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.788 0.237 19732 1419 1 3 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.569 -0.416 19732 1420 1 3 . 1 1 61 61 GLN H H 61 8.460 8.460 7.576 0.884 19732 1421 1 3 . 1 1 62 62 LEU N N 62 117.882 117.882 118.844 -0.962 19732 1422 1 3 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.249 -0.121 19732 1423 1 3 . 1 1 62 62 LEU C C 62 179.260 179.260 178.660 0.600 19732 1424 1 3 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.587 1.408 19732 1425 1 3 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.292 0.339 19732 1426 1 3 . 1 1 62 62 LEU H H 62 8.742 8.742 8.303 0.439 19732 1427 1 3 . 1 1 63 63 ASN N N 63 117.409 117.409 118.842 -1.433 19732 1428 1 3 . 1 1 63 63 ASN HA H 63 4.230 4.230 3.886 0.344 19732 1429 1 3 . 1 1 63 63 ASN C C 63 178.050 178.050 177.383 0.667 19732 1430 1 3 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.479 0.186 19732 1431 1 3 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.486 0.192 19732 1432 1 3 . 1 1 63 63 ASN H H 63 8.279 8.279 8.458 -0.179 19732 1433 1 3 . 1 1 64 64 ARG N N 64 119.753 119.753 118.776 0.977 19732 1434 1 3 . 1 1 64 64 ARG HA H 64 4.042 4.042 3.999 0.043 19732 1435 1 3 . 1 1 64 64 ARG C C 64 178.914 178.914 178.720 0.194 19732 1436 1 3 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.231 0.629 19732 1437 1 3 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.637 0.132 19732 1438 1 3 . 1 1 64 64 ARG H H 64 7.784 7.784 7.882 -0.098 19732 1439 1 3 . 1 1 65 65 LEU N N 65 120.009 120.009 119.186 0.823 19732 1440 1 3 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.003 -0.064 19732 1441 1 3 . 1 1 65 65 LEU C C 65 178.481 178.481 178.659 -0.178 19732 1442 1 3 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.533 0.774 19732 1443 1 3 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.514 0.943 19732 1444 1 3 . 1 1 65 65 LEU H H 65 7.779 7.779 7.439 0.340 19732 1445 1 3 . 1 1 66 66 PHE N N 66 118.503 118.503 119.680 -1.177 19732 1446 1 3 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.507 -0.532 19732 1447 1 3 . 1 1 66 66 PHE C C 66 178.269 178.269 176.221 2.048 19732 1448 1 3 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.164 1.673 19732 1449 1 3 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.612 0.139 19732 1450 1 3 . 1 1 66 66 PHE H H 66 8.287 8.287 7.460 0.827 19732 1451 1 3 . 1 1 67 67 ALA N N 67 119.206 119.206 120.596 -1.390 19732 1452 1 3 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.890 0.009 19732 1453 1 3 . 1 1 67 67 ALA C C 67 178.876 178.876 179.248 -0.372 19732 1454 1 3 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.742 -0.084 19732 1455 1 3 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.616 -0.575 19732 1456 1 3 . 1 1 67 67 ALA H H 67 7.902 7.902 7.639 0.263 19732 1457 1 3 . 1 1 68 68 GLN N N 68 115.534 115.534 116.967 -1.433 19732 1458 1 3 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.241 -0.126 19732 1459 1 3 . 1 1 68 68 GLN C C 68 177.274 177.274 177.091 0.183 19732 1460 1 3 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.221 0.175 19732 1461 1 3 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.861 -1.020 19732 1462 1 3 . 1 1 68 68 GLN H H 68 7.572 7.572 7.680 -0.108 19732 1463 1 3 . 1 1 69 69 GLY N N 69 106.861 106.861 104.895 1.966 19732 1464 1 3 . 1 1 69 69 GLY C C 69 173.690 173.690 173.260 0.430 19732 1465 1 3 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.277 -1.390 19732 1466 1 3 . 1 1 69 69 GLY H H 69 7.486 7.486 8.077 -0.591 19732 1467 1 3 . 1 1 70 70 MET N N 70 119.355 119.355 122.965 -3.610 19732 1468 1 3 . 1 1 70 70 MET HA H 70 4.117 4.117 4.560 -0.443 19732 1469 1 3 . 1 1 70 70 MET C C 70 177.743 177.743 176.825 0.918 19732 1470 1 3 . 1 1 70 70 MET CA C 70 57.396 57.396 59.174 -1.778 19732 1471 1 3 . 1 1 70 70 MET CB C 70 30.638 30.638 32.984 -2.346 19732 1472 1 3 . 1 1 70 70 MET H H 70 8.245 8.245 8.773 -0.528 19732 1473 1 3 . 1 1 71 71 ALA N N 71 120.691 120.691 122.062 -1.371 19732 1474 1 3 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.182 -0.119 19732 1475 1 3 . 1 1 71 71 ALA C C 71 181.027 181.027 179.741 1.286 19732 1476 1 3 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.955 0.687 19732 1477 1 3 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.990 -0.425 19732 1478 1 3 . 1 1 71 71 ALA H H 71 8.624 8.624 8.502 0.122 19732 1479 1 3 . 1 1 72 72 THR N N 72 116.354 116.354 116.316 0.038 19732 1480 1 3 . 1 1 72 72 THR HA H 72 3.825 3.825 4.050 -0.225 19732 1481 1 3 . 1 1 72 72 THR C C 72 174.861 174.861 176.034 -1.173 19732 1482 1 3 . 1 1 72 72 THR CA C 72 66.992 66.992 67.284 -0.292 19732 1483 1 3 . 1 1 72 72 THR CB C 72 68.355 68.355 68.521 -0.166 19732 1484 1 3 . 1 1 72 72 THR H H 72 7.525 7.525 7.943 -0.418 19732 1485 1 3 . 1 1 73 73 TRP N N 73 122.292 122.292 122.364 -0.072 19732 1486 1 3 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.237 0.094 19732 1487 1 3 . 1 1 73 73 TRP C C 73 176.757 176.757 177.476 -0.719 19732 1488 1 3 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.822 -0.263 19732 1489 1 3 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.944 0.412 19732 1490 1 3 . 1 1 73 73 TRP H H 73 8.090 8.090 8.204 -0.114 19732 1491 1 3 . 1 1 74 74 LYS N N 74 115.768 115.768 118.156 -2.388 19732 1492 1 3 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.916 -0.177 19732 1493 1 3 . 1 1 74 74 LYS C C 74 178.957 178.957 179.475 -0.518 19732 1494 1 3 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.209 0.224 19732 1495 1 3 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.258 0.064 19732 1496 1 3 . 1 1 74 74 LYS H H 74 9.001 9.001 8.030 0.971 19732 1497 1 3 . 1 1 75 75 SER N N 75 115.378 115.378 115.912 -0.534 19732 1498 1 3 . 1 1 75 75 SER HA H 75 4.211 4.211 4.273 -0.062 19732 1499 1 3 . 1 1 75 75 SER C C 75 175.465 175.465 176.181 -0.716 19732 1500 1 3 . 1 1 75 75 SER CA C 75 61.999 61.999 62.255 -0.256 19732 1501 1 3 . 1 1 75 75 SER CB C 75 63.160 63.160 63.255 -0.095 19732 1502 1 3 . 1 1 75 75 SER H H 75 7.604 7.604 8.434 -0.830 19732 1503 1 3 . 1 1 76 76 PHE N N 76 121.707 121.707 124.423 -2.716 19732 1504 1 3 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.240 -0.224 19732 1505 1 3 . 1 1 76 76 PHE C C 76 175.983 175.983 177.014 -1.031 19732 1506 1 3 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.121 0.361 19732 1507 1 3 . 1 1 76 76 PHE CB C 76 38.279 38.279 39.013 -0.734 19732 1508 1 3 . 1 1 76 76 PHE H H 76 8.200 8.200 8.381 -0.181 19732 1509 1 3 . 1 1 77 77 ILE N N 77 117.448 117.448 118.476 -1.028 19732 1510 1 3 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.469 -0.138 19732 1511 1 3 . 1 1 77 77 ILE C C 77 177.919 177.919 177.952 -0.033 19732 1512 1 3 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.574 -3.080 19732 1513 1 3 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.128 -1.406 19732 1514 1 3 . 1 1 77 77 ILE H H 77 8.193 8.193 8.554 -0.361 19732 1515 1 3 . 1 1 78 78 ASN N N 78 119.831 119.831 118.968 0.863 19732 1516 1 3 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.400 -0.182 19732 1517 1 3 . 1 1 78 78 ASN C C 78 177.228 177.228 177.674 -0.446 19732 1518 1 3 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.618 1.173 19732 1519 1 3 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.662 0.642 19732 1520 1 3 . 1 1 78 78 ASN H H 78 8.224 8.224 7.975 0.249 19732 1521 1 3 . 1 1 79 79 ASP N N 79 119.402 119.402 121.185 -1.783 19732 1522 1 3 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.560 -0.071 19732 1523 1 3 . 1 1 79 79 ASP C C 79 177.600 177.600 178.503 -0.903 19732 1524 1 3 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.159 0.416 19732 1525 1 3 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.870 -0.953 19732 1526 1 3 . 1 1 79 79 ASP H H 79 8.028 8.028 7.851 0.177 19732 1527 1 3 . 1 1 80 80 LEU N N 80 122.293 122.293 121.988 0.305 19732 1528 1 3 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.626 -0.138 19732 1529 1 3 . 1 1 80 80 LEU C C 80 178.561 178.561 178.763 -0.202 19732 1530 1 3 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.255 1.077 19732 1531 1 3 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.083 1.297 19732 1532 1 3 . 1 1 80 80 LEU H H 80 8.491 8.491 8.534 -0.043 19732 1533 1 3 . 1 1 81 81 CYS N N 81 114.479 114.479 116.841 -2.362 19732 1534 1 3 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.113 -0.182 19732 1535 1 3 . 1 1 81 81 CYS C C 81 176.754 176.754 176.788 -0.034 19732 1536 1 3 . 1 1 81 81 CYS CA C 81 63.543 63.543 62.279 1.264 19732 1537 1 3 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.250 0.407 19732 1538 1 3 . 1 1 81 81 CYS H H 81 8.169 8.169 8.238 -0.069 19732 1539 1 3 . 1 1 82 82 PHE N N 82 115.964 115.964 120.899 -4.935 19732 1540 1 3 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.234 0.088 19732 1541 1 3 . 1 1 82 82 PHE C C 82 178.485 178.485 177.029 1.456 19732 1542 1 3 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.358 -0.482 19732 1543 1 3 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.442 0.389 19732 1544 1 3 . 1 1 82 82 PHE H H 82 7.863 7.863 7.518 0.345 19732 1545 1 3 . 1 1 83 83 GLU N N 83 116.314 116.314 118.559 -2.245 19732 1546 1 3 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.050 -0.005 19732 1547 1 3 . 1 1 83 83 GLU C C 83 177.877 177.877 178.277 -0.400 19732 1548 1 3 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.846 -0.101 19732 1549 1 3 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.238 0.040 19732 1550 1 3 . 1 1 83 83 GLU H H 83 9.049 9.049 8.715 0.334 19732 1551 1 3 . 1 1 84 84 LEU N N 84 116.042 116.042 118.234 -2.192 19732 1552 1 3 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.051 0.186 19732 1553 1 3 . 1 1 84 84 LEU C C 84 175.868 175.868 176.680 -0.812 19732 1554 1 3 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.687 -1.030 19732 1555 1 3 . 1 1 84 84 LEU CB C 84 40.104 40.104 41.745 -1.641 19732 1556 1 3 . 1 1 84 84 LEU H H 84 7.713 7.713 7.403 0.310 19732 1557 1 3 . 1 1 85 85 ASP N N 85 116.940 116.940 118.745 -1.805 19732 1558 1 3 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.332 -0.082 19732 1559 1 3 . 1 1 85 85 ASP C C 85 174.424 174.424 174.955 -0.531 19732 1560 1 3 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.072 -0.387 19732 1561 1 3 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.849 -1.028 19732 1562 1 3 . 1 1 85 85 ASP H H 85 7.164 7.164 7.350 -0.186 19732 1563 1 3 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.591 -0.185 19732 1564 1 3 . 1 1 87 87 PRO C C 87 177.572 177.572 176.595 0.977 19732 1565 1 3 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.217 -0.058 19732 1566 1 3 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.195 1.065 19732 1567 1 3 . 1 1 88 88 LEU N N 88 122.410 122.410 125.199 -2.789 19732 1568 1 3 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.132 -0.201 19732 1569 1 3 . 1 1 88 88 LEU C C 88 179.214 179.214 178.812 0.402 19732 1570 1 3 . 1 1 88 88 LEU CA C 88 57.281 57.281 56.084 1.197 19732 1571 1 3 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.227 -1.147 19732 1572 1 3 . 1 1 88 88 LEU H H 88 8.271 8.271 8.112 0.159 19732 1573 1 3 . 1 1 91 91 GLU N N 91 121.224 121.224 122.206 -0.982 19732 1574 1 3 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.176 -0.639 19732 1575 1 3 . 1 1 91 91 GLU C C 91 176.926 176.926 178.076 -1.150 19732 1576 1 3 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.519 1.560 19732 1577 1 3 . 1 1 91 91 GLU CB C 91 29.485 29.485 28.732 0.753 19732 1578 1 3 . 1 1 91 91 GLU H H 91 7.775 7.775 7.960 -0.185 19732 1579 1 3 . 1 1 92 92 ILE N N 92 115.836 115.836 121.419 -5.583 19732 1580 1 3 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.141 -0.231 19732 1581 1 3 . 1 1 92 92 ILE C C 92 177.704 177.704 175.291 2.413 19732 1582 1 3 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.162 1.868 19732 1583 1 3 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.634 -0.183 19732 1584 1 3 . 1 1 92 92 ILE H H 92 8.259 8.259 8.556 -0.297 19732 1585 1 3 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.626 -0.509 19732 1586 1 3 . 1 1 93 93 PRO C C 93 178.653 178.653 179.495 -0.842 19732 1587 1 3 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.170 -0.167 19732 1588 1 3 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.551 -0.415 19732 1589 1 3 . 1 1 94 94 LEU N N 94 114.952 114.952 116.732 -1.780 19732 1590 1 3 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.372 -0.246 19732 1591 1 3 . 1 1 94 94 LEU C C 94 180.119 180.119 179.596 0.523 19732 1592 1 3 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.828 -0.043 19732 1593 1 3 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.417 1.343 19732 1594 1 3 . 1 1 94 94 LEU H H 94 7.657 7.657 7.867 -0.210 19732 1595 1 3 . 1 1 95 95 VAL N N 95 119.986 119.986 119.444 0.542 19732 1596 1 3 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.214 -0.206 19732 1597 1 3 . 1 1 95 95 VAL C C 95 177.559 177.559 178.395 -0.836 19732 1598 1 3 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.619 0.047 19732 1599 1 3 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.412 0.302 19732 1600 1 3 . 1 1 95 95 VAL H H 95 8.873 8.873 8.293 0.580 19732 1601 1 3 . 1 1 96 96 SER N N 96 111.863 111.863 114.536 -2.673 19732 1602 1 3 . 1 1 96 96 SER HA H 96 4.598 4.598 4.241 0.357 19732 1603 1 3 . 1 1 96 96 SER C C 96 175.113 175.113 175.745 -0.632 19732 1604 1 3 . 1 1 96 96 SER CA C 96 59.163 59.163 60.803 -1.641 19732 1605 1 3 . 1 1 96 96 SER CB C 96 63.552 63.552 62.953 0.599 19732 1606 1 3 . 1 1 96 96 SER H H 96 7.823 7.823 8.352 -0.529 19732 1607 1 3 . 1 1 97 97 ILE N N 97 120.300 120.300 119.119 1.181 19732 1608 1 3 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.714 0.105 19732 1609 1 3 . 1 1 97 97 ILE C C 97 174.601 174.601 175.325 -0.724 19732 1610 1 3 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.546 1.258 19732 1611 1 3 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.439 0.620 19732 1612 1 3 . 1 1 97 97 ILE H H 97 7.014 7.014 7.328 -0.314 19732 1613 1 3 . 1 1 98 98 TRP N N 98 120.222 120.222 120.420 -0.198 19732 1614 1 3 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.074 -0.012 19732 1615 1 3 . 1 1 98 98 TRP C C 98 176.502 176.502 174.317 2.185 19732 1616 1 3 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.422 2.368 19732 1617 1 3 . 1 1 98 98 TRP CB C 98 28.963 28.963 28.815 0.148 19732 1618 1 3 . 1 1 98 98 TRP H H 98 7.651 7.651 7.113 0.538 19732 1619 1 3 . 1 1 99 99 GLY N N 99 109.003 109.003 109.267 -0.264 19732 1620 1 3 . 1 1 99 99 GLY C C 99 170.846 170.846 172.733 -1.887 19732 1621 1 3 . 1 1 99 99 GLY CA C 99 44.637 44.637 45.173 -0.536 19732 1622 1 3 . 1 1 99 99 GLY H H 99 7.240 7.240 7.601 -0.361 19732 1623 1 3 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.728 -0.429 19732 1624 1 3 . 1 1 100 100 PRO C C 100 176.200 176.200 176.169 0.031 19732 1625 1 3 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.011 0.994 19732 1626 1 3 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.458 1.350 19732 1627 1 4 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.470 -0.060 19732 1628 1 4 . 1 1 2 2 PRO C C 2 176.929 176.929 176.180 0.749 19732 1629 1 4 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.614 0.527 19732 1630 1 4 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.216 0.018 19732 1631 1 4 . 1 1 3 3 LEU N N 3 121.746 121.746 126.077 -4.331 19732 1632 1 4 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.588 -0.311 19732 1633 1 4 . 1 1 3 3 LEU C C 3 177.789 177.789 176.499 1.290 19732 1634 1 4 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.752 0.615 19732 1635 1 4 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.580 -0.422 19732 1636 1 4 . 1 1 3 3 LEU H H 3 8.420 8.420 8.433 -0.013 19732 1637 1 4 . 1 1 4 4 GLY N N 4 109.400 109.400 112.545 -3.145 19732 1638 1 4 . 1 1 4 4 GLY C C 4 174.208 174.208 172.957 1.251 19732 1639 1 4 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.199 0.056 19732 1640 1 4 . 1 1 4 4 GLY H H 4 8.326 8.326 8.347 -0.021 19732 1641 1 4 . 1 1 5 5 SER N N 5 115.339 115.339 114.382 0.957 19732 1642 1 4 . 1 1 5 5 SER HA H 5 4.363 4.363 4.238 0.125 19732 1643 1 4 . 1 1 5 5 SER C C 5 174.549 174.549 174.536 0.013 19732 1644 1 4 . 1 1 5 5 SER CA C 5 58.443 58.443 58.344 0.098 19732 1645 1 4 . 1 1 5 5 SER CB C 5 63.773 63.773 63.365 0.408 19732 1646 1 4 . 1 1 5 5 SER H H 5 8.098 8.098 8.388 -0.290 19732 1647 1 4 . 1 1 6 6 MET N N 6 121.404 121.404 122.827 -1.423 19732 1648 1 4 . 1 1 6 6 MET HA H 6 4.427 4.427 4.376 0.051 19732 1649 1 4 . 1 1 6 6 MET C C 6 175.724 175.724 175.227 0.497 19732 1650 1 4 . 1 1 6 6 MET CA C 6 55.612 55.612 56.587 -0.975 19732 1651 1 4 . 1 1 6 6 MET CB C 6 32.874 32.874 32.591 0.283 19732 1652 1 4 . 1 1 6 6 MET H H 6 8.326 8.326 8.550 -0.224 19732 1653 1 4 . 1 1 7 7 ASP N N 7 120.769 120.769 117.550 3.219 19732 1654 1 4 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.952 -0.435 19732 1655 1 4 . 1 1 7 7 ASP C C 7 176.111 176.111 176.609 -0.498 19732 1656 1 4 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.376 -0.240 19732 1657 1 4 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.785 1.500 19732 1658 1 4 . 1 1 7 7 ASP H H 7 8.114 8.114 8.608 -0.494 19732 1659 1 4 . 1 1 8 8 ALA N N 8 123.543 123.543 122.501 1.042 19732 1660 1 4 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.157 -0.098 19732 1661 1 4 . 1 1 8 8 ALA C C 8 178.788 178.788 178.311 0.477 19732 1662 1 4 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.882 -0.951 19732 1663 1 4 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.738 0.190 19732 1664 1 4 . 1 1 8 8 ALA H H 8 8.248 8.248 7.372 0.876 19732 1665 1 4 . 1 1 9 9 GLU N N 9 118.034 118.034 117.789 0.245 19732 1666 1 4 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.044 0.082 19732 1667 1 4 . 1 1 9 9 GLU C C 9 177.485 177.485 178.766 -1.281 19732 1668 1 4 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.069 -1.229 19732 1669 1 4 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.238 1.364 19732 1670 1 4 . 1 1 9 9 GLU H H 9 8.255 8.255 8.621 -0.366 19732 1671 1 4 . 1 1 10 10 SER N N 10 115.260 115.260 116.180 -0.920 19732 1672 1 4 . 1 1 10 10 SER HA H 10 4.232 4.232 4.214 0.018 19732 1673 1 4 . 1 1 10 10 SER C C 10 175.552 175.552 175.565 -0.013 19732 1674 1 4 . 1 1 10 10 SER CA C 10 60.015 60.015 61.170 -1.155 19732 1675 1 4 . 1 1 10 10 SER CB C 10 63.225 63.225 62.999 0.226 19732 1676 1 4 . 1 1 10 10 SER H H 10 7.992 7.992 7.647 0.345 19732 1677 1 4 . 1 1 11 11 ILE N N 11 121.199 121.199 119.240 1.959 19732 1678 1 4 . 1 1 11 11 ILE HA H 11 3.890 3.890 3.924 -0.034 19732 1679 1 4 . 1 1 11 11 ILE C C 11 176.411 176.411 177.671 -1.260 19732 1680 1 4 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.719 -0.969 19732 1681 1 4 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.064 0.209 19732 1682 1 4 . 1 1 11 11 ILE H H 11 7.729 7.729 7.361 0.368 19732 1683 1 4 . 1 1 12 12 ARG N N 12 121.248 121.248 117.941 3.307 19732 1684 1 4 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.330 -0.217 19732 1685 1 4 . 1 1 12 12 ARG C C 12 176.970 176.970 176.379 0.591 19732 1686 1 4 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.241 0.836 19732 1687 1 4 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.783 -0.287 19732 1688 1 4 . 1 1 12 12 ARG H H 12 7.853 7.853 7.659 0.194 19732 1689 1 4 . 1 1 13 13 LEU N N 13 120.701 120.701 116.677 4.024 19732 1690 1 4 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.975 0.243 19732 1691 1 4 . 1 1 13 13 LEU C C 13 177.620 177.620 175.646 1.974 19732 1692 1 4 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.149 0.148 19732 1693 1 4 . 1 1 13 13 LEU CB C 13 42.174 42.174 41.133 1.041 19732 1694 1 4 . 1 1 13 13 LEU H H 13 8.020 8.020 8.373 -0.353 19732 1695 1 4 . 1 1 16 16 GLU N N 16 120.417 120.417 124.402 -3.985 19732 1696 1 4 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.196 -0.071 19732 1697 1 4 . 1 1 16 16 GLU C C 16 178.929 178.929 178.150 0.779 19732 1698 1 4 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.682 -0.077 19732 1699 1 4 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.871 -0.480 19732 1700 1 4 . 1 1 16 16 GLU H H 16 8.465 8.465 9.152 -0.687 19732 1701 1 4 . 1 1 17 17 ASN N N 17 118.855 118.855 119.352 -0.497 19732 1702 1 4 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.574 0.045 19732 1703 1 4 . 1 1 17 17 ASN C C 17 177.835 177.835 177.876 -0.041 19732 1704 1 4 . 1 1 17 17 ASN CA C 17 55.538 55.538 55.990 -0.453 19732 1705 1 4 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.264 -0.053 19732 1706 1 4 . 1 1 17 17 ASN H H 17 8.428 8.428 7.893 0.535 19732 1707 1 4 . 1 1 18 18 LEU N N 18 123.972 123.972 121.208 2.764 19732 1708 1 4 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.256 -0.036 19732 1709 1 4 . 1 1 18 18 LEU C C 18 178.248 178.248 178.599 -0.351 19732 1710 1 4 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.135 -0.250 19732 1711 1 4 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.707 -0.010 19732 1712 1 4 . 1 1 18 18 LEU H H 18 8.208 8.208 8.548 -0.340 19732 1713 1 4 . 1 1 19 19 TRP N N 19 119.362 119.362 121.573 -2.211 19732 1714 1 4 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.328 -0.162 19732 1715 1 4 . 1 1 19 19 TRP C C 19 177.617 177.617 177.743 -0.126 19732 1716 1 4 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.576 0.320 19732 1717 1 4 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.980 -0.553 19732 1718 1 4 . 1 1 19 19 TRP H H 19 8.316 8.316 7.841 0.475 19732 1719 1 4 . 1 1 20 20 ALA N N 20 118.581 118.581 121.869 -3.288 19732 1720 1 4 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.836 0.214 19732 1721 1 4 . 1 1 20 20 ALA C C 20 180.422 180.422 179.062 1.360 19732 1722 1 4 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.170 -0.006 19732 1723 1 4 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.849 0.191 19732 1724 1 4 . 1 1 20 20 ALA H H 20 7.957 7.957 8.561 -0.604 19732 1725 1 4 . 1 1 21 21 TRP N N 21 119.753 119.753 120.873 -1.120 19732 1726 1 4 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.258 -0.365 19732 1727 1 4 . 1 1 21 21 TRP C C 21 177.494 177.494 177.626 -0.132 19732 1728 1 4 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.220 1.878 19732 1729 1 4 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.610 -0.967 19732 1730 1 4 . 1 1 21 21 TRP H H 21 8.043 8.043 8.366 -0.323 19732 1731 1 4 . 1 1 22 22 LEU N N 22 122.136 122.136 121.276 0.860 19732 1732 1 4 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.542 -0.103 19732 1733 1 4 . 1 1 22 22 LEU C C 22 178.075 178.075 178.853 -0.778 19732 1734 1 4 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.742 0.013 19732 1735 1 4 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.136 0.834 19732 1736 1 4 . 1 1 22 22 LEU H H 22 8.553 8.553 8.209 0.344 19732 1737 1 4 . 1 1 23 23 VAL N N 23 118.034 118.034 118.768 -0.734 19732 1738 1 4 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.293 0.020 19732 1739 1 4 . 1 1 23 23 VAL C C 23 178.401 178.401 178.087 0.314 19732 1740 1 4 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.349 -0.225 19732 1741 1 4 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.105 0.195 19732 1742 1 4 . 1 1 23 23 VAL H H 23 8.341 8.341 8.244 0.097 19732 1743 1 4 . 1 1 24 24 ARG N N 24 120.377 120.377 117.827 2.550 19732 1744 1 4 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.978 -0.164 19732 1745 1 4 . 1 1 24 24 ARG C C 24 179.205 179.205 178.284 0.921 19732 1746 1 4 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.943 1.161 19732 1747 1 4 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.038 -0.002 19732 1748 1 4 . 1 1 24 24 ARG H H 24 7.856 7.856 7.815 0.041 19732 1749 1 4 . 1 1 25 25 LEU N N 25 121.668 121.668 120.369 1.299 19732 1750 1 4 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.941 -0.278 19732 1751 1 4 . 1 1 25 25 LEU C C 25 179.943 179.943 178.660 1.283 19732 1752 1 4 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.133 0.915 19732 1753 1 4 . 1 1 25 25 LEU CB C 25 41.028 41.028 41.309 -0.281 19732 1754 1 4 . 1 1 25 25 LEU H H 25 7.838 7.838 7.782 0.056 19732 1755 1 4 . 1 1 26 26 LEU N N 26 118.308 118.308 118.985 -0.677 19732 1756 1 4 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.373 -0.462 19732 1757 1 4 . 1 1 26 26 LEU C C 26 179.471 179.471 179.877 -0.406 19732 1758 1 4 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.514 -0.041 19732 1759 1 4 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.649 0.380 19732 1760 1 4 . 1 1 26 26 LEU H H 26 8.247 8.247 8.279 -0.032 19732 1761 1 4 . 1 1 27 27 SER N N 27 115.768 115.768 115.100 0.668 19732 1762 1 4 . 1 1 27 27 SER HA H 27 4.020 4.020 4.168 -0.148 19732 1763 1 4 . 1 1 27 27 SER C C 27 174.990 174.990 175.126 -0.136 19732 1764 1 4 . 1 1 27 27 SER CA C 27 61.755 61.755 61.762 -0.007 19732 1765 1 4 . 1 1 27 27 SER CB C 27 62.755 62.755 62.504 0.251 19732 1766 1 4 . 1 1 27 27 SER H H 27 8.436 8.436 8.027 0.409 19732 1767 1 4 . 1 1 28 28 LYS N N 28 117.644 117.644 116.862 0.782 19732 1768 1 4 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.358 -0.044 19732 1769 1 4 . 1 1 28 28 LYS C C 28 175.979 175.979 176.334 -0.355 19732 1770 1 4 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.348 -0.161 19732 1771 1 4 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.674 0.117 19732 1772 1 4 . 1 1 28 28 LYS H H 28 7.014 7.014 7.840 -0.826 19732 1773 1 4 . 1 1 29 29 ASN N N 29 118.347 118.347 117.890 0.457 19732 1774 1 4 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.224 0.058 19732 1775 1 4 . 1 1 29 29 ASN C C 29 171.835 171.835 173.498 -1.663 19732 1776 1 4 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.368 0.957 19732 1777 1 4 . 1 1 29 29 ASN CB C 29 41.626 41.626 38.521 3.105 19732 1778 1 4 . 1 1 29 29 ASN H H 29 7.611 7.611 7.814 -0.203 19732 1779 1 4 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.367 0.084 19732 1780 1 4 . 1 1 30 30 PRO C C 30 179.560 179.560 178.066 1.494 19732 1781 1 4 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.182 0.687 19732 1782 1 4 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.835 -0.433 19732 1783 1 4 . 1 1 31 31 GLU N N 31 119.636 119.636 118.753 0.883 19732 1784 1 4 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.141 -0.015 19732 1785 1 4 . 1 1 31 31 GLU C C 31 179.253 179.253 178.726 0.527 19732 1786 1 4 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.262 0.410 19732 1787 1 4 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.338 -0.973 19732 1788 1 4 . 1 1 31 31 GLU H H 31 8.593 8.593 8.676 -0.083 19732 1789 1 4 . 1 1 32 32 TRP N N 32 122.293 122.293 121.946 0.347 19732 1790 1 4 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.411 -0.378 19732 1791 1 4 . 1 1 32 32 TRP C C 32 178.055 178.055 177.940 0.115 19732 1792 1 4 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.813 1.043 19732 1793 1 4 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.782 -0.666 19732 1794 1 4 . 1 1 32 32 TRP H H 32 7.933 7.933 7.354 0.579 19732 1795 1 4 . 1 1 33 33 LEU N N 33 117.409 117.409 121.306 -3.897 19732 1796 1 4 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.888 0.002 19732 1797 1 4 . 1 1 33 33 LEU C C 33 177.934 177.934 178.255 -0.321 19732 1798 1 4 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.941 0.238 19732 1799 1 4 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.389 0.169 19732 1800 1 4 . 1 1 33 33 LEU H H 33 8.012 8.012 9.056 -1.044 19732 1801 1 4 . 1 1 34 34 SER N N 34 113.257 113.257 114.990 -1.733 19732 1802 1 4 . 1 1 34 34 SER HA H 34 3.975 3.975 4.063 -0.088 19732 1803 1 4 . 1 1 34 34 SER C C 34 176.363 176.363 176.550 -0.187 19732 1804 1 4 . 1 1 34 34 SER CA C 34 62.194 62.194 61.686 0.508 19732 1805 1 4 . 1 1 34 34 SER CB C 34 62.739 62.739 62.564 0.175 19732 1806 1 4 . 1 1 34 34 SER H H 34 8.335 8.335 7.705 0.630 19732 1807 1 4 . 1 1 35 35 ALA N N 35 121.511 121.511 125.005 -3.494 19732 1808 1 4 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.937 0.020 19732 1809 1 4 . 1 1 35 35 ALA C C 35 180.728 180.728 179.743 0.985 19732 1810 1 4 . 1 1 35 35 ALA CA C 35 54.889 54.889 55.034 -0.145 19732 1811 1 4 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.082 -0.307 19732 1812 1 4 . 1 1 35 35 ALA H H 35 7.391 7.391 7.524 -0.133 19732 1813 1 4 . 1 1 36 36 LYS N N 36 118.386 118.386 117.463 0.923 19732 1814 1 4 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.021 -0.187 19732 1815 1 4 . 1 1 36 36 LYS C C 36 179.578 179.578 179.148 0.430 19732 1816 1 4 . 1 1 36 36 LYS CA C 36 56.597 56.597 58.115 -1.518 19732 1817 1 4 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.913 -1.430 19732 1818 1 4 . 1 1 36 36 LYS H H 36 7.823 7.823 7.373 0.450 19732 1819 1 4 . 1 1 37 37 LEU N N 37 119.480 119.480 119.966 -0.486 19732 1820 1 4 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.115 -0.225 19732 1821 1 4 . 1 1 37 37 LEU C C 37 178.529 178.529 178.840 -0.311 19732 1822 1 4 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.348 0.299 19732 1823 1 4 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.385 -0.237 19732 1824 1 4 . 1 1 37 37 LEU H H 37 8.725 8.725 8.373 0.352 19732 1825 1 4 . 1 1 38 38 ARG N N 38 115.612 115.612 118.285 -2.673 19732 1826 1 4 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.000 -0.003 19732 1827 1 4 . 1 1 38 38 ARG C C 38 177.661 177.661 177.995 -0.334 19732 1828 1 4 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.324 -0.812 19732 1829 1 4 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.936 -0.002 19732 1830 1 4 . 1 1 38 38 ARG H H 38 7.446 7.446 8.125 -0.679 19732 1831 1 4 . 1 1 39 39 SER N N 39 111.883 111.883 113.903 -2.020 19732 1832 1 4 . 1 1 39 39 SER HA H 39 4.160 4.160 4.155 0.005 19732 1833 1 4 . 1 1 39 39 SER C C 39 175.401 175.401 175.802 -0.401 19732 1834 1 4 . 1 1 39 39 SER CA C 39 60.359 60.359 60.476 -0.117 19732 1835 1 4 . 1 1 39 39 SER CB C 39 63.228 63.228 63.197 0.031 19732 1836 1 4 . 1 1 39 39 SER H H 39 7.353 7.353 7.367 -0.014 19732 1837 1 4 . 1 1 40 40 PHE N N 40 117.136 117.136 118.924 -1.788 19732 1838 1 4 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.437 0.177 19732 1839 1 4 . 1 1 40 40 PHE C C 40 175.852 175.852 176.089 -0.237 19732 1840 1 4 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.535 -0.825 19732 1841 1 4 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.602 2.092 19732 1842 1 4 . 1 1 40 40 PHE H H 40 7.792 7.792 7.638 0.154 19732 1843 1 4 . 1 1 41 41 LEU N N 41 119.050 119.050 118.897 0.153 19732 1844 1 4 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.543 0.334 19732 1845 1 4 . 1 1 41 41 LEU C C 41 174.510 174.510 175.997 -1.487 19732 1846 1 4 . 1 1 41 41 LEU CA C 41 52.092 52.092 53.273 -1.181 19732 1847 1 4 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.893 0.144 19732 1848 1 4 . 1 1 41 41 LEU H H 41 8.114 8.114 8.103 0.011 19732 1849 1 4 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.566 -0.264 19732 1850 1 4 . 1 1 42 42 PRO C C 42 177.620 177.620 176.458 1.162 19732 1851 1 4 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.245 -0.474 19732 1852 1 4 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.611 -0.930 19732 1853 1 4 . 1 1 43 43 THR N N 43 109.752 109.752 109.363 0.389 19732 1854 1 4 . 1 1 43 43 THR HA H 43 4.256 4.256 4.459 -0.203 19732 1855 1 4 . 1 1 43 43 THR C C 43 174.467 174.467 174.035 0.432 19732 1856 1 4 . 1 1 43 43 THR CA C 43 61.657 61.657 59.526 2.131 19732 1857 1 4 . 1 1 43 43 THR CB C 43 69.450 69.450 67.877 1.573 19732 1858 1 4 . 1 1 43 43 THR H H 43 7.671 7.671 7.775 -0.104 19732 1859 1 4 . 1 1 44 44 MET N N 44 121.568 121.568 122.352 -0.784 19732 1860 1 4 . 1 1 44 44 MET HA H 44 4.363 4.363 4.278 0.085 19732 1861 1 4 . 1 1 44 44 MET C C 44 175.373 175.373 176.477 -1.104 19732 1862 1 4 . 1 1 44 44 MET CA C 44 55.710 55.710 56.420 -0.710 19732 1863 1 4 . 1 1 44 44 MET CB C 44 32.989 32.989 32.084 0.905 19732 1864 1 4 . 1 1 44 44 MET H H 44 8.037 8.037 7.705 0.332 19732 1865 1 4 . 1 1 45 45 ASP N N 45 121.980 121.980 123.233 -1.253 19732 1866 1 4 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.662 -0.141 19732 1867 1 4 . 1 1 45 45 ASP C C 45 176.022 176.022 175.591 0.431 19732 1868 1 4 . 1 1 45 45 ASP CA C 45 54.371 54.371 52.714 1.657 19732 1869 1 4 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.185 0.961 19732 1870 1 4 . 1 1 45 45 ASP H H 45 8.230 8.230 8.471 -0.241 19732 1871 1 4 . 1 1 46 46 LEU N N 46 122.192 122.192 114.672 7.520 19732 1872 1 4 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.603 -0.459 19732 1873 1 4 . 1 1 46 46 LEU C C 46 177.018 177.018 177.205 -0.187 19732 1874 1 4 . 1 1 46 46 LEU CA C 46 55.913 55.913 56.008 -0.095 19732 1875 1 4 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.808 0.368 19732 1876 1 4 . 1 1 46 46 LEU H H 46 8.028 8.028 7.669 0.359 19732 1877 1 4 . 1 1 47 47 ASP N N 47 120.573 120.573 119.894 0.679 19732 1878 1 4 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.536 -0.011 19732 1879 1 4 . 1 1 47 47 ASP C C 47 176.370 176.370 177.391 -1.021 19732 1880 1 4 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.032 -0.825 19732 1881 1 4 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.669 0.485 19732 1882 1 4 . 1 1 47 47 ASP H H 47 8.238 8.238 8.612 -0.374 19732 1883 1 4 . 1 1 48 48 CYS N N 48 118.464 118.464 120.980 -2.516 19732 1884 1 4 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.527 -0.098 19732 1885 1 4 . 1 1 48 48 CYS C C 48 174.340 174.340 174.190 0.150 19732 1886 1 4 . 1 1 48 48 CYS CA C 48 58.513 58.513 57.733 0.780 19732 1887 1 4 . 1 1 48 48 CYS CB C 48 27.953 27.953 25.311 2.642 19732 1888 1 4 . 1 1 48 48 CYS H H 48 8.068 8.068 7.594 0.474 19732 1889 1 4 . 1 1 49 49 SER N N 49 116.784 116.784 118.006 -1.222 19732 1890 1 4 . 1 1 49 49 SER HA H 49 4.302 4.302 4.094 0.208 19732 1891 1 4 . 1 1 49 49 SER C C 49 173.897 173.897 174.578 -0.681 19732 1892 1 4 . 1 1 49 49 SER CA C 49 58.718 58.718 56.604 2.114 19732 1893 1 4 . 1 1 49 49 SER CB C 49 63.636 63.636 61.830 1.806 19732 1894 1 4 . 1 1 49 49 SER H H 49 8.185 8.185 7.621 0.564 19732 1895 1 4 . 1 1 50 50 TYR N N 50 120.886 120.886 123.617 -2.731 19732 1896 1 4 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.384 0.128 19732 1897 1 4 . 1 1 50 50 TYR C C 50 174.818 174.818 176.669 -1.851 19732 1898 1 4 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.365 -0.879 19732 1899 1 4 . 1 1 50 50 TYR CB C 50 38.796 38.796 37.876 0.920 19732 1900 1 4 . 1 1 50 50 TYR H H 50 7.776 7.776 6.983 0.793 19732 1901 1 4 . 1 1 51 51 GLU N N 51 122.800 122.800 119.138 3.662 19732 1902 1 4 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.877 -0.322 19732 1903 1 4 . 1 1 51 51 GLU C C 51 174.508 174.508 174.465 0.043 19732 1904 1 4 . 1 1 51 51 GLU CA C 51 53.928 53.928 52.742 1.185 19732 1905 1 4 . 1 1 51 51 GLU CB C 51 30.225 30.225 30.980 -0.754 19732 1906 1 4 . 1 1 51 51 GLU H H 51 8.026 8.026 7.926 0.100 19732 1907 1 4 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.498 -0.196 19732 1908 1 4 . 1 1 52 52 PRO C C 52 176.065 176.065 178.115 -2.050 19732 1909 1 4 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.796 0.888 19732 1910 1 4 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.124 -0.561 19732 1911 1 4 . 1 1 53 53 SER N N 53 110.611 110.611 115.973 -5.362 19732 1912 1 4 . 1 1 53 53 SER HA H 53 4.302 4.302 4.300 0.002 19732 1913 1 4 . 1 1 53 53 SER C C 53 173.858 173.858 173.514 0.344 19732 1914 1 4 . 1 1 53 53 SER CA C 53 58.508 58.508 58.068 0.440 19732 1915 1 4 . 1 1 53 53 SER CB C 53 63.636 63.636 61.675 1.961 19732 1916 1 4 . 1 1 53 53 SER H H 53 7.934 7.934 8.544 -0.610 19732 1917 1 4 . 1 1 54 54 ASN N N 54 121.155 121.155 122.850 -1.695 19732 1918 1 4 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.759 0.119 19732 1919 1 4 . 1 1 54 54 ASN C C 54 174.167 174.167 175.084 -0.917 19732 1920 1 4 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.572 -1.101 19732 1921 1 4 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.270 0.734 19732 1922 1 4 . 1 1 54 54 ASN H H 54 7.666 7.666 7.753 -0.087 19732 1923 1 4 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.132 -0.103 19732 1924 1 4 . 1 1 55 55 PRO C C 55 177.787 177.787 178.798 -1.011 19732 1925 1 4 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.092 -0.506 19732 1926 1 4 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.959 0.404 19732 1927 1 4 . 1 1 56 56 GLU N N 56 117.292 117.292 117.475 -0.183 19732 1928 1 4 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.316 -0.246 19732 1929 1 4 . 1 1 56 56 GLU C C 56 179.258 179.258 179.087 0.171 19732 1930 1 4 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.429 0.043 19732 1931 1 4 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.299 -0.175 19732 1932 1 4 . 1 1 56 56 GLU H H 56 8.153 8.153 8.914 -0.761 19732 1933 1 4 . 1 1 57 57 VAL N N 57 120.730 120.730 120.736 -0.006 19732 1934 1 4 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.807 -0.239 19732 1935 1 4 . 1 1 57 57 VAL C C 57 178.039 178.039 178.205 -0.166 19732 1936 1 4 . 1 1 57 57 VAL CA C 57 65.965 65.965 65.849 0.116 19732 1937 1 4 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.267 0.718 19732 1938 1 4 . 1 1 57 57 VAL H H 57 7.556 7.556 7.355 0.201 19732 1939 1 4 . 1 1 58 58 ILE N N 58 119.892 119.892 119.850 0.042 19732 1940 1 4 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.677 0.033 19732 1941 1 4 . 1 1 58 58 ILE C C 58 178.096 178.096 177.676 0.420 19732 1942 1 4 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.900 1.312 19732 1943 1 4 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.335 0.983 19732 1944 1 4 . 1 1 58 58 ILE H H 58 7.784 7.784 8.533 -0.749 19732 1945 1 4 . 1 1 59 59 HIS N N 59 117.644 117.644 119.723 -2.079 19732 1946 1 4 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.255 -0.108 19732 1947 1 4 . 1 1 59 59 HIS C C 59 177.576 177.576 177.642 -0.066 19732 1948 1 4 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.642 0.854 19732 1949 1 4 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.383 -0.104 19732 1950 1 4 . 1 1 59 59 HIS H H 59 8.350 8.350 8.586 -0.236 19732 1951 1 4 . 1 1 60 60 ARG N N 60 118.248 118.248 118.936 -0.688 19732 1952 1 4 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.832 0.214 19732 1953 1 4 . 1 1 60 60 ARG C C 60 179.642 179.642 178.622 1.020 19732 1954 1 4 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.894 0.052 19732 1955 1 4 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.980 0.327 19732 1956 1 4 . 1 1 60 60 ARG H H 60 7.776 7.776 8.388 -0.612 19732 1957 1 4 . 1 1 61 61 GLN N N 61 119.475 119.475 118.057 1.418 19732 1958 1 4 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.089 -0.023 19732 1959 1 4 . 1 1 61 61 GLN C C 61 178.650 178.650 178.574 0.076 19732 1960 1 4 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.601 0.424 19732 1961 1 4 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.713 -0.561 19732 1962 1 4 . 1 1 61 61 GLN H H 61 8.460 8.460 7.675 0.785 19732 1963 1 4 . 1 1 62 62 LEU N N 62 117.882 117.882 119.825 -1.943 19732 1964 1 4 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.227 -0.099 19732 1965 1 4 . 1 1 62 62 LEU C C 62 179.260 179.260 178.968 0.292 19732 1966 1 4 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.793 1.202 19732 1967 1 4 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.204 0.427 19732 1968 1 4 . 1 1 62 62 LEU H H 62 8.742 8.742 8.428 0.314 19732 1969 1 4 . 1 1 63 63 ASN N N 63 117.409 117.409 118.309 -0.900 19732 1970 1 4 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.213 0.017 19732 1971 1 4 . 1 1 63 63 ASN C C 63 178.050 178.050 177.551 0.499 19732 1972 1 4 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.379 0.286 19732 1973 1 4 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.421 0.257 19732 1974 1 4 . 1 1 63 63 ASN H H 63 8.279 8.279 8.505 -0.226 19732 1975 1 4 . 1 1 64 64 ARG N N 64 119.753 119.753 119.371 0.382 19732 1976 1 4 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.136 -0.094 19732 1977 1 4 . 1 1 64 64 ARG C C 64 178.914 178.914 178.665 0.249 19732 1978 1 4 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.358 0.503 19732 1979 1 4 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.811 -0.042 19732 1980 1 4 . 1 1 64 64 ARG H H 64 7.784 7.784 7.668 0.116 19732 1981 1 4 . 1 1 65 65 LEU N N 65 120.009 120.009 119.720 0.289 19732 1982 1 4 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.082 -0.143 19732 1983 1 4 . 1 1 65 65 LEU C C 65 178.481 178.481 178.801 -0.320 19732 1984 1 4 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.330 0.977 19732 1985 1 4 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.593 0.864 19732 1986 1 4 . 1 1 65 65 LEU H H 65 7.779 7.779 7.285 0.494 19732 1987 1 4 . 1 1 66 66 PHE N N 66 118.503 118.503 121.098 -2.595 19732 1988 1 4 . 1 1 66 66 PHE HA H 66 3.975 3.975 3.950 0.025 19732 1989 1 4 . 1 1 66 66 PHE C C 66 178.269 178.269 177.457 0.812 19732 1990 1 4 . 1 1 66 66 PHE CA C 66 60.837 60.837 61.364 -0.527 19732 1991 1 4 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.652 0.099 19732 1992 1 4 . 1 1 66 66 PHE H H 66 8.287 8.287 8.401 -0.114 19732 1993 1 4 . 1 1 67 67 ALA N N 67 119.206 119.206 119.882 -0.676 19732 1994 1 4 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.287 -0.388 19732 1995 1 4 . 1 1 67 67 ALA C C 67 178.876 178.876 178.805 0.071 19732 1996 1 4 . 1 1 67 67 ALA CA C 67 53.658 53.658 54.483 -0.825 19732 1997 1 4 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.213 -0.172 19732 1998 1 4 . 1 1 67 67 ALA H H 67 7.902 7.902 8.097 -0.195 19732 1999 1 4 . 1 1 68 68 GLN N N 68 115.534 115.534 117.154 -1.620 19732 2000 1 4 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.384 -0.269 19732 2001 1 4 . 1 1 68 68 GLN C C 68 177.274 177.274 177.011 0.263 19732 2002 1 4 . 1 1 68 68 GLN CA C 68 56.396 56.396 55.907 0.489 19732 2003 1 4 . 1 1 68 68 GLN CB C 68 28.841 28.841 30.061 -1.220 19732 2004 1 4 . 1 1 68 68 GLN H H 68 7.572 7.572 7.784 -0.212 19732 2005 1 4 . 1 1 69 69 GLY N N 69 106.861 106.861 105.335 1.526 19732 2006 1 4 . 1 1 69 69 GLY C C 69 173.690 173.690 173.442 0.248 19732 2007 1 4 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.038 -1.151 19732 2008 1 4 . 1 1 69 69 GLY H H 69 7.486 7.486 7.881 -0.395 19732 2009 1 4 . 1 1 70 70 MET N N 70 119.355 119.355 120.168 -0.813 19732 2010 1 4 . 1 1 70 70 MET HA H 70 4.117 4.117 3.560 0.557 19732 2011 1 4 . 1 1 70 70 MET C C 70 177.743 177.743 176.674 1.069 19732 2012 1 4 . 1 1 70 70 MET CA C 70 57.396 57.396 57.438 -0.042 19732 2013 1 4 . 1 1 70 70 MET CB C 70 30.638 30.638 31.950 -1.312 19732 2014 1 4 . 1 1 70 70 MET H H 70 8.245 8.245 8.426 -0.181 19732 2015 1 4 . 1 1 71 71 ALA N N 71 120.691 120.691 122.521 -1.830 19732 2016 1 4 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.033 0.030 19732 2017 1 4 . 1 1 71 71 ALA C C 71 181.027 181.027 179.901 1.126 19732 2018 1 4 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.012 0.630 19732 2019 1 4 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.282 -0.717 19732 2020 1 4 . 1 1 71 71 ALA H H 71 8.624 8.624 7.958 0.666 19732 2021 1 4 . 1 1 72 72 THR N N 72 116.354 116.354 115.862 0.492 19732 2022 1 4 . 1 1 72 72 THR HA H 72 3.825 3.825 3.952 -0.127 19732 2023 1 4 . 1 1 72 72 THR C C 72 174.861 174.861 176.291 -1.430 19732 2024 1 4 . 1 1 72 72 THR CA C 72 66.992 66.992 66.660 0.332 19732 2025 1 4 . 1 1 72 72 THR CB C 72 68.355 68.355 68.575 -0.220 19732 2026 1 4 . 1 1 72 72 THR H H 72 7.525 7.525 7.831 -0.306 19732 2027 1 4 . 1 1 73 73 TRP N N 73 122.292 122.292 122.789 -0.497 19732 2028 1 4 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.289 0.042 19732 2029 1 4 . 1 1 73 73 TRP C C 73 176.757 176.757 177.427 -0.670 19732 2030 1 4 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.977 -0.418 19732 2031 1 4 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.966 0.390 19732 2032 1 4 . 1 1 73 73 TRP H H 73 8.090 8.090 8.186 -0.096 19732 2033 1 4 . 1 1 74 74 LYS N N 74 115.768 115.768 117.947 -2.179 19732 2034 1 4 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.867 -0.128 19732 2035 1 4 . 1 1 74 74 LYS C C 74 178.957 178.957 179.410 -0.453 19732 2036 1 4 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.191 0.242 19732 2037 1 4 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.126 0.196 19732 2038 1 4 . 1 1 74 74 LYS H H 74 9.001 9.001 8.076 0.925 19732 2039 1 4 . 1 1 75 75 SER N N 75 115.378 115.378 116.107 -0.729 19732 2040 1 4 . 1 1 75 75 SER HA H 75 4.211 4.211 4.278 -0.067 19732 2041 1 4 . 1 1 75 75 SER C C 75 175.465 175.465 176.103 -0.638 19732 2042 1 4 . 1 1 75 75 SER CA C 75 61.999 61.999 62.306 -0.307 19732 2043 1 4 . 1 1 75 75 SER CB C 75 63.160 63.160 63.180 -0.020 19732 2044 1 4 . 1 1 75 75 SER H H 75 7.604 7.604 8.251 -0.647 19732 2045 1 4 . 1 1 76 76 PHE N N 76 121.707 121.707 123.988 -2.281 19732 2046 1 4 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.271 -0.255 19732 2047 1 4 . 1 1 76 76 PHE C C 76 175.983 175.983 177.039 -1.056 19732 2048 1 4 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.459 0.023 19732 2049 1 4 . 1 1 76 76 PHE CB C 76 38.279 38.279 39.023 -0.744 19732 2050 1 4 . 1 1 76 76 PHE H H 76 8.200 8.200 8.370 -0.170 19732 2051 1 4 . 1 1 77 77 ILE N N 77 117.448 117.448 118.518 -1.070 19732 2052 1 4 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.459 -0.128 19732 2053 1 4 . 1 1 77 77 ILE C C 77 177.919 177.919 178.276 -0.357 19732 2054 1 4 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.550 -3.055 19732 2055 1 4 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.111 -1.389 19732 2056 1 4 . 1 1 77 77 ILE H H 77 8.193 8.193 8.694 -0.501 19732 2057 1 4 . 1 1 78 78 ASN N N 78 119.831 119.831 119.484 0.347 19732 2058 1 4 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.409 -0.191 19732 2059 1 4 . 1 1 78 78 ASN C C 78 177.228 177.228 177.691 -0.463 19732 2060 1 4 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.504 1.287 19732 2061 1 4 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.301 1.003 19732 2062 1 4 . 1 1 78 78 ASN H H 78 8.224 8.224 8.164 0.060 19732 2063 1 4 . 1 1 79 79 ASP N N 79 119.402 119.402 120.925 -1.523 19732 2064 1 4 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.581 -0.092 19732 2065 1 4 . 1 1 79 79 ASP C C 79 177.600 177.600 178.621 -1.021 19732 2066 1 4 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.160 0.415 19732 2067 1 4 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.904 -0.987 19732 2068 1 4 . 1 1 79 79 ASP H H 79 8.028 8.028 8.153 -0.125 19732 2069 1 4 . 1 1 80 80 LEU N N 80 122.293 122.293 122.104 0.189 19732 2070 1 4 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.657 -0.169 19732 2071 1 4 . 1 1 80 80 LEU C C 80 178.561 178.561 178.498 0.063 19732 2072 1 4 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.514 0.818 19732 2073 1 4 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.189 1.191 19732 2074 1 4 . 1 1 80 80 LEU H H 80 8.491 8.491 8.461 0.030 19732 2075 1 4 . 1 1 81 81 CYS N N 81 114.479 114.479 115.941 -1.462 19732 2076 1 4 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.032 -0.101 19732 2077 1 4 . 1 1 81 81 CYS C C 81 176.754 176.754 176.654 0.100 19732 2078 1 4 . 1 1 81 81 CYS CA C 81 63.543 63.543 64.456 -0.913 19732 2079 1 4 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.740 -0.083 19732 2080 1 4 . 1 1 81 81 CYS H H 81 8.169 8.169 8.244 -0.075 19732 2081 1 4 . 1 1 82 82 PHE N N 82 115.964 115.964 120.890 -4.926 19732 2082 1 4 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.260 0.062 19732 2083 1 4 . 1 1 82 82 PHE C C 82 178.485 178.485 176.860 1.625 19732 2084 1 4 . 1 1 82 82 PHE CA C 82 60.876 60.876 60.718 0.158 19732 2085 1 4 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.184 0.647 19732 2086 1 4 . 1 1 82 82 PHE H H 82 7.863 7.863 7.426 0.437 19732 2087 1 4 . 1 1 83 83 GLU N N 83 116.314 116.314 118.930 -2.616 19732 2088 1 4 . 1 1 83 83 GLU HA H 83 4.045 4.045 3.830 0.215 19732 2089 1 4 . 1 1 83 83 GLU C C 83 177.877 177.877 178.326 -0.449 19732 2090 1 4 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.836 -0.091 19732 2091 1 4 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.077 0.201 19732 2092 1 4 . 1 1 83 83 GLU H H 83 9.049 9.049 8.648 0.401 19732 2093 1 4 . 1 1 84 84 LEU N N 84 116.042 116.042 117.141 -1.099 19732 2094 1 4 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.006 0.231 19732 2095 1 4 . 1 1 84 84 LEU C C 84 175.868 175.868 176.392 -0.524 19732 2096 1 4 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.678 -1.021 19732 2097 1 4 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.178 -2.074 19732 2098 1 4 . 1 1 84 84 LEU H H 84 7.713 7.713 7.641 0.072 19732 2099 1 4 . 1 1 85 85 ASP N N 85 116.940 116.940 117.913 -0.973 19732 2100 1 4 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.374 -0.124 19732 2101 1 4 . 1 1 85 85 ASP C C 85 174.424 174.424 175.194 -0.770 19732 2102 1 4 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.011 -0.327 19732 2103 1 4 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.725 -0.904 19732 2104 1 4 . 1 1 85 85 ASP H H 85 7.164 7.164 7.850 -0.686 19732 2105 1 4 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.619 -0.213 19732 2106 1 4 . 1 1 87 87 PRO C C 87 177.572 177.572 176.223 1.349 19732 2107 1 4 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.997 0.162 19732 2108 1 4 . 1 1 87 87 PRO CB C 87 32.260 32.260 30.618 1.642 19732 2109 1 4 . 1 1 88 88 LEU N N 88 122.410 122.410 118.410 4.000 19732 2110 1 4 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.369 -0.438 19732 2111 1 4 . 1 1 88 88 LEU C C 88 179.214 179.214 177.434 1.780 19732 2112 1 4 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.142 2.139 19732 2113 1 4 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.988 -0.908 19732 2114 1 4 . 1 1 88 88 LEU H H 88 8.271 8.271 8.068 0.203 19732 2115 1 4 . 1 1 91 91 GLU N N 91 121.224 121.224 121.639 -0.415 19732 2116 1 4 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.153 -0.616 19732 2117 1 4 . 1 1 91 91 GLU C C 91 176.926 176.926 178.273 -1.347 19732 2118 1 4 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.626 1.453 19732 2119 1 4 . 1 1 91 91 GLU CB C 91 29.485 29.485 28.671 0.814 19732 2120 1 4 . 1 1 91 91 GLU H H 91 7.775 7.775 8.607 -0.832 19732 2121 1 4 . 1 1 92 92 ILE N N 92 115.836 115.836 120.140 -4.304 19732 2122 1 4 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.118 -0.208 19732 2123 1 4 . 1 1 92 92 ILE C C 92 177.704 177.704 175.721 1.983 19732 2124 1 4 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.264 1.766 19732 2125 1 4 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.782 -0.331 19732 2126 1 4 . 1 1 92 92 ILE H H 92 8.259 8.259 8.504 -0.245 19732 2127 1 4 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.277 -0.160 19732 2128 1 4 . 1 1 93 93 PRO C C 93 178.653 178.653 179.402 -0.749 19732 2129 1 4 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.319 -0.315 19732 2130 1 4 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.602 -0.466 19732 2131 1 4 . 1 1 94 94 LEU N N 94 114.952 114.952 116.298 -1.346 19732 2132 1 4 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.422 -0.296 19732 2133 1 4 . 1 1 94 94 LEU C C 94 180.119 180.119 179.462 0.657 19732 2134 1 4 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.809 -0.024 19732 2135 1 4 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.449 1.311 19732 2136 1 4 . 1 1 94 94 LEU H H 94 7.657 7.657 8.330 -0.673 19732 2137 1 4 . 1 1 95 95 VAL N N 95 119.986 119.986 119.380 0.606 19732 2138 1 4 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.092 -0.084 19732 2139 1 4 . 1 1 95 95 VAL C C 95 177.559 177.559 178.179 -0.620 19732 2140 1 4 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.504 0.162 19732 2141 1 4 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.339 0.375 19732 2142 1 4 . 1 1 95 95 VAL H H 95 8.873 8.873 8.245 0.628 19732 2143 1 4 . 1 1 96 96 SER N N 96 111.863 111.863 115.089 -3.226 19732 2144 1 4 . 1 1 96 96 SER HA H 96 4.598 4.598 4.194 0.404 19732 2145 1 4 . 1 1 96 96 SER C C 96 175.113 175.113 176.526 -1.413 19732 2146 1 4 . 1 1 96 96 SER CA C 96 59.163 59.163 61.362 -2.199 19732 2147 1 4 . 1 1 96 96 SER CB C 96 63.552 63.552 63.026 0.526 19732 2148 1 4 . 1 1 96 96 SER H H 96 7.823 7.823 8.518 -0.695 19732 2149 1 4 . 1 1 97 97 ILE N N 97 120.300 120.300 120.796 -0.496 19732 2150 1 4 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.904 -0.085 19732 2151 1 4 . 1 1 97 97 ILE C C 97 174.601 174.601 176.182 -1.581 19732 2152 1 4 . 1 1 97 97 ILE CA C 97 63.804 63.804 64.186 -0.382 19732 2153 1 4 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.578 0.480 19732 2154 1 4 . 1 1 97 97 ILE H H 97 7.014 7.014 7.428 -0.414 19732 2155 1 4 . 1 1 98 98 TRP N N 98 120.222 120.222 121.808 -1.586 19732 2156 1 4 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.573 -0.511 19732 2157 1 4 . 1 1 98 98 TRP C C 98 176.502 176.502 173.912 2.590 19732 2158 1 4 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.536 2.254 19732 2159 1 4 . 1 1 98 98 TRP CB C 98 28.963 28.963 29.152 -0.189 19732 2160 1 4 . 1 1 98 98 TRP H H 98 7.651 7.651 7.661 -0.010 19732 2161 1 4 . 1 1 99 99 GLY N N 99 109.003 109.003 112.378 -3.375 19732 2162 1 4 . 1 1 99 99 GLY C C 99 170.846 170.846 171.899 -1.053 19732 2163 1 4 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.721 0.916 19732 2164 1 4 . 1 1 99 99 GLY H H 99 7.240 7.240 7.618 -0.378 19732 2165 1 4 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.255 0.044 19732 2166 1 4 . 1 1 100 100 PRO C C 100 176.200 176.200 176.504 -0.304 19732 2167 1 4 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.433 -0.429 19732 2168 1 4 . 1 1 100 100 PRO CB C 100 31.808 31.808 32.401 -0.593 19732 2169 1 5 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.539 -0.129 19732 2170 1 5 . 1 1 2 2 PRO C C 2 176.929 176.929 176.162 0.767 19732 2171 1 5 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.997 0.144 19732 2172 1 5 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.279 0.955 19732 2173 1 5 . 1 1 3 3 LEU N N 3 121.746 121.746 123.876 -2.130 19732 2174 1 5 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.605 -0.328 19732 2175 1 5 . 1 1 3 3 LEU C C 3 177.789 177.789 177.977 -0.188 19732 2176 1 5 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.581 0.786 19732 2177 1 5 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.867 -0.709 19732 2178 1 5 . 1 1 3 3 LEU H H 3 8.420 8.420 8.051 0.369 19732 2179 1 5 . 1 1 4 4 GLY N N 4 109.400 109.400 111.578 -2.178 19732 2180 1 5 . 1 1 4 4 GLY C C 4 174.208 174.208 174.902 -0.694 19732 2181 1 5 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.571 -0.316 19732 2182 1 5 . 1 1 4 4 GLY H H 4 8.326 8.326 8.664 -0.338 19732 2183 1 5 . 1 1 5 5 SER N N 5 115.339 115.339 113.895 1.444 19732 2184 1 5 . 1 1 5 5 SER HA H 5 4.363 4.363 4.681 -0.318 19732 2185 1 5 . 1 1 5 5 SER C C 5 174.549 174.549 173.932 0.617 19732 2186 1 5 . 1 1 5 5 SER CA C 5 58.443 58.443 57.285 1.158 19732 2187 1 5 . 1 1 5 5 SER CB C 5 63.773 63.773 65.091 -1.318 19732 2188 1 5 . 1 1 5 5 SER H H 5 8.098 8.098 7.547 0.551 19732 2189 1 5 . 1 1 6 6 MET N N 6 121.404 121.404 120.899 0.505 19732 2190 1 5 . 1 1 6 6 MET HA H 6 4.427 4.427 4.692 -0.265 19732 2191 1 5 . 1 1 6 6 MET C C 6 175.724 175.724 175.986 -0.262 19732 2192 1 5 . 1 1 6 6 MET CA C 6 55.612 55.612 55.838 -0.226 19732 2193 1 5 . 1 1 6 6 MET CB C 6 32.874 32.874 33.457 -0.583 19732 2194 1 5 . 1 1 6 6 MET H H 6 8.326 8.326 8.647 -0.321 19732 2195 1 5 . 1 1 7 7 ASP N N 7 120.769 120.769 120.071 0.698 19732 2196 1 5 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.781 -0.264 19732 2197 1 5 . 1 1 7 7 ASP C C 7 176.111 176.111 176.792 -0.681 19732 2198 1 5 . 1 1 7 7 ASP CA C 7 54.136 54.136 55.364 -1.228 19732 2199 1 5 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.510 1.775 19732 2200 1 5 . 1 1 7 7 ASP H H 7 8.114 8.114 8.757 -0.643 19732 2201 1 5 . 1 1 8 8 ALA N N 8 123.543 123.543 121.671 1.872 19732 2202 1 5 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.262 -0.203 19732 2203 1 5 . 1 1 8 8 ALA C C 8 178.788 178.788 179.020 -0.232 19732 2204 1 5 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.296 -0.365 19732 2205 1 5 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.831 0.096 19732 2206 1 5 . 1 1 8 8 ALA H H 8 8.248 8.248 7.700 0.548 19732 2207 1 5 . 1 1 9 9 GLU N N 9 118.034 118.034 118.508 -0.474 19732 2208 1 5 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.069 0.057 19732 2209 1 5 . 1 1 9 9 GLU C C 9 177.485 177.485 178.282 -0.797 19732 2210 1 5 . 1 1 9 9 GLU CA C 9 57.840 57.840 58.954 -1.114 19732 2211 1 5 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.315 1.287 19732 2212 1 5 . 1 1 9 9 GLU H H 9 8.255 8.255 7.947 0.308 19732 2213 1 5 . 1 1 10 10 SER N N 10 115.260 115.260 115.108 0.152 19732 2214 1 5 . 1 1 10 10 SER HA H 10 4.232 4.232 4.316 -0.084 19732 2215 1 5 . 1 1 10 10 SER C C 10 175.552 175.552 175.553 -0.001 19732 2216 1 5 . 1 1 10 10 SER CA C 10 60.015 60.015 61.120 -1.105 19732 2217 1 5 . 1 1 10 10 SER CB C 10 63.225 63.225 63.003 0.222 19732 2218 1 5 . 1 1 10 10 SER H H 10 7.992 7.992 7.685 0.307 19732 2219 1 5 . 1 1 11 11 ILE N N 11 121.199 121.199 120.100 1.099 19732 2220 1 5 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.042 -0.152 19732 2221 1 5 . 1 1 11 11 ILE C C 11 176.411 176.411 177.173 -0.762 19732 2222 1 5 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.542 0.208 19732 2223 1 5 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.292 -0.019 19732 2224 1 5 . 1 1 11 11 ILE H H 11 7.729 7.729 7.448 0.281 19732 2225 1 5 . 1 1 12 12 ARG N N 12 121.248 121.248 118.615 2.633 19732 2226 1 5 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.267 -0.154 19732 2227 1 5 . 1 1 12 12 ARG C C 12 176.970 176.970 177.674 -0.704 19732 2228 1 5 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.374 0.703 19732 2229 1 5 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.059 -0.563 19732 2230 1 5 . 1 1 12 12 ARG H H 12 7.853 7.853 7.466 0.387 19732 2231 1 5 . 1 1 13 13 LEU N N 13 120.701 120.701 115.918 4.783 19732 2232 1 5 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.887 0.331 19732 2233 1 5 . 1 1 13 13 LEU C C 13 177.620 177.620 176.597 1.023 19732 2234 1 5 . 1 1 13 13 LEU CA C 13 55.297 55.297 58.213 -2.916 19732 2235 1 5 . 1 1 13 13 LEU CB C 13 42.174 42.174 39.923 2.251 19732 2236 1 5 . 1 1 13 13 LEU H H 13 8.020 8.020 8.068 -0.048 19732 2237 1 5 . 1 1 16 16 GLU N N 16 120.417 120.417 122.254 -1.837 19732 2238 1 5 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.024 0.101 19732 2239 1 5 . 1 1 16 16 GLU C C 16 178.929 178.929 177.923 1.006 19732 2240 1 5 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.541 0.064 19732 2241 1 5 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.871 -0.480 19732 2242 1 5 . 1 1 16 16 GLU H H 16 8.465 8.465 8.815 -0.350 19732 2243 1 5 . 1 1 17 17 ASN N N 17 118.855 118.855 117.919 0.936 19732 2244 1 5 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.564 0.055 19732 2245 1 5 . 1 1 17 17 ASN C C 17 177.835 177.835 177.447 0.388 19732 2246 1 5 . 1 1 17 17 ASN CA C 17 55.538 55.538 55.901 -0.363 19732 2247 1 5 . 1 1 17 17 ASN CB C 17 38.211 38.211 37.905 0.306 19732 2248 1 5 . 1 1 17 17 ASN H H 17 8.428 8.428 8.515 -0.087 19732 2249 1 5 . 1 1 18 18 LEU N N 18 123.972 123.972 119.885 4.087 19732 2250 1 5 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.145 0.075 19732 2251 1 5 . 1 1 18 18 LEU C C 18 178.248 178.248 178.280 -0.032 19732 2252 1 5 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.451 0.434 19732 2253 1 5 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.463 0.234 19732 2254 1 5 . 1 1 18 18 LEU H H 18 8.208 8.208 8.190 0.018 19732 2255 1 5 . 1 1 19 19 TRP N N 19 119.362 119.362 121.554 -2.192 19732 2256 1 5 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.224 -0.058 19732 2257 1 5 . 1 1 19 19 TRP C C 19 177.617 177.617 177.516 0.101 19732 2258 1 5 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.300 0.596 19732 2259 1 5 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.716 -0.289 19732 2260 1 5 . 1 1 19 19 TRP H H 19 8.316 8.316 7.801 0.515 19732 2261 1 5 . 1 1 20 20 ALA N N 20 118.581 118.581 121.535 -2.954 19732 2262 1 5 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.830 0.220 19732 2263 1 5 . 1 1 20 20 ALA C C 20 180.422 180.422 179.027 1.395 19732 2264 1 5 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.086 0.078 19732 2265 1 5 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.674 0.366 19732 2266 1 5 . 1 1 20 20 ALA H H 20 7.957 7.957 7.715 0.242 19732 2267 1 5 . 1 1 21 21 TRP N N 21 119.753 119.753 121.127 -1.374 19732 2268 1 5 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.214 -0.321 19732 2269 1 5 . 1 1 21 21 TRP C C 21 177.494 177.494 177.814 -0.320 19732 2270 1 5 . 1 1 21 21 TRP CA C 21 62.098 62.098 61.438 0.660 19732 2271 1 5 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.562 -0.919 19732 2272 1 5 . 1 1 21 21 TRP H H 21 8.043 8.043 7.807 0.236 19732 2273 1 5 . 1 1 22 22 LEU N N 22 122.136 122.136 120.177 1.959 19732 2274 1 5 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.679 -0.240 19732 2275 1 5 . 1 1 22 22 LEU C C 22 178.075 178.075 178.426 -0.351 19732 2276 1 5 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.215 -0.460 19732 2277 1 5 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.816 0.154 19732 2278 1 5 . 1 1 22 22 LEU H H 22 8.553 8.553 8.328 0.225 19732 2279 1 5 . 1 1 23 23 VAL N N 23 118.034 118.034 118.673 -0.639 19732 2280 1 5 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.129 0.184 19732 2281 1 5 . 1 1 23 23 VAL C C 23 178.401 178.401 177.935 0.466 19732 2282 1 5 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.853 0.271 19732 2283 1 5 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.146 0.153 19732 2284 1 5 . 1 1 23 23 VAL H H 23 8.341 8.341 8.199 0.142 19732 2285 1 5 . 1 1 24 24 ARG N N 24 120.377 120.377 116.916 3.461 19732 2286 1 5 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.918 -0.104 19732 2287 1 5 . 1 1 24 24 ARG C C 24 179.205 179.205 178.054 1.151 19732 2288 1 5 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.030 1.074 19732 2289 1 5 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.996 0.040 19732 2290 1 5 . 1 1 24 24 ARG H H 24 7.856 7.856 7.526 0.330 19732 2291 1 5 . 1 1 25 25 LEU N N 25 121.668 121.668 120.291 1.377 19732 2292 1 5 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.951 -0.288 19732 2293 1 5 . 1 1 25 25 LEU C C 25 179.943 179.943 178.702 1.241 19732 2294 1 5 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.055 0.993 19732 2295 1 5 . 1 1 25 25 LEU CB C 25 41.028 41.028 41.436 -0.408 19732 2296 1 5 . 1 1 25 25 LEU H H 25 7.838 7.838 7.401 0.437 19732 2297 1 5 . 1 1 26 26 LEU N N 26 118.308 118.308 119.103 -0.795 19732 2298 1 5 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.251 -0.340 19732 2299 1 5 . 1 1 26 26 LEU C C 26 179.471 179.471 179.688 -0.217 19732 2300 1 5 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.825 -0.352 19732 2301 1 5 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.589 0.440 19732 2302 1 5 . 1 1 26 26 LEU H H 26 8.247 8.247 8.641 -0.394 19732 2303 1 5 . 1 1 27 27 SER N N 27 115.768 115.768 114.374 1.394 19732 2304 1 5 . 1 1 27 27 SER HA H 27 4.020 4.020 4.216 -0.196 19732 2305 1 5 . 1 1 27 27 SER C C 27 174.990 174.990 174.868 0.122 19732 2306 1 5 . 1 1 27 27 SER CA C 27 61.755 61.755 60.355 1.400 19732 2307 1 5 . 1 1 27 27 SER CB C 27 62.755 62.755 62.800 -0.045 19732 2308 1 5 . 1 1 27 27 SER H H 27 8.436 8.436 8.114 0.322 19732 2309 1 5 . 1 1 28 28 LYS N N 28 117.644 117.644 117.299 0.345 19732 2310 1 5 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.272 0.042 19732 2311 1 5 . 1 1 28 28 LYS C C 28 175.979 175.979 176.030 -0.051 19732 2312 1 5 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.065 0.122 19732 2313 1 5 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.962 -0.171 19732 2314 1 5 . 1 1 28 28 LYS H H 28 7.014 7.014 7.706 -0.692 19732 2315 1 5 . 1 1 29 29 ASN N N 29 118.347 118.347 116.666 1.681 19732 2316 1 5 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.190 0.092 19732 2317 1 5 . 1 1 29 29 ASN C C 29 171.835 171.835 173.700 -1.865 19732 2318 1 5 . 1 1 29 29 ASN CA C 29 52.325 52.325 50.736 1.589 19732 2319 1 5 . 1 1 29 29 ASN CB C 29 41.626 41.626 37.603 4.023 19732 2320 1 5 . 1 1 29 29 ASN H H 29 7.611 7.611 7.938 -0.327 19732 2321 1 5 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.470 -0.019 19732 2322 1 5 . 1 1 30 30 PRO C C 30 179.560 179.560 178.164 1.396 19732 2323 1 5 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.005 0.864 19732 2324 1 5 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.004 -0.602 19732 2325 1 5 . 1 1 31 31 GLU N N 31 119.636 119.636 119.038 0.598 19732 2326 1 5 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.215 -0.089 19732 2327 1 5 . 1 1 31 31 GLU C C 31 179.253 179.253 178.970 0.283 19732 2328 1 5 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.430 0.242 19732 2329 1 5 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.683 -0.319 19732 2330 1 5 . 1 1 31 31 GLU H H 31 8.593 8.593 8.861 -0.268 19732 2331 1 5 . 1 1 32 32 TRP N N 32 122.293 122.293 123.296 -1.003 19732 2332 1 5 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.390 -0.357 19732 2333 1 5 . 1 1 32 32 TRP C C 32 178.055 178.055 178.164 -0.109 19732 2334 1 5 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.069 0.787 19732 2335 1 5 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.423 -0.307 19732 2336 1 5 . 1 1 32 32 TRP H H 32 7.933 7.933 8.237 -0.304 19732 2337 1 5 . 1 1 33 33 LEU N N 33 117.409 117.409 119.506 -2.097 19732 2338 1 5 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.792 0.098 19732 2339 1 5 . 1 1 33 33 LEU C C 33 177.934 177.934 179.002 -1.068 19732 2340 1 5 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.368 -0.190 19732 2341 1 5 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.214 0.344 19732 2342 1 5 . 1 1 33 33 LEU H H 33 8.012 8.012 8.870 -0.858 19732 2343 1 5 . 1 1 34 34 SER N N 34 113.257 113.257 115.556 -2.299 19732 2344 1 5 . 1 1 34 34 SER HA H 34 3.975 3.975 4.086 -0.111 19732 2345 1 5 . 1 1 34 34 SER C C 34 176.363 176.363 176.593 -0.230 19732 2346 1 5 . 1 1 34 34 SER CA C 34 62.194 62.194 62.284 -0.090 19732 2347 1 5 . 1 1 34 34 SER CB C 34 62.739 62.739 62.677 0.062 19732 2348 1 5 . 1 1 34 34 SER H H 34 8.335 8.335 8.041 0.294 19732 2349 1 5 . 1 1 35 35 ALA N N 35 121.511 121.511 124.161 -2.650 19732 2350 1 5 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.854 0.103 19732 2351 1 5 . 1 1 35 35 ALA C C 35 180.728 180.728 179.290 1.438 19732 2352 1 5 . 1 1 35 35 ALA CA C 35 54.889 54.889 55.023 -0.134 19732 2353 1 5 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.213 -0.438 19732 2354 1 5 . 1 1 35 35 ALA H H 35 7.391 7.391 7.937 -0.546 19732 2355 1 5 . 1 1 36 36 LYS N N 36 118.386 118.386 117.427 0.959 19732 2356 1 5 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.040 -0.206 19732 2357 1 5 . 1 1 36 36 LYS C C 36 179.578 179.578 179.089 0.489 19732 2358 1 5 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.860 -1.263 19732 2359 1 5 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.015 -1.532 19732 2360 1 5 . 1 1 36 36 LYS H H 36 7.823 7.823 7.691 0.132 19732 2361 1 5 . 1 1 37 37 LEU N N 37 119.480 119.480 119.961 -0.481 19732 2362 1 5 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.043 -0.153 19732 2363 1 5 . 1 1 37 37 LEU C C 37 178.529 178.529 178.825 -0.296 19732 2364 1 5 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.363 0.284 19732 2365 1 5 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.333 -0.185 19732 2366 1 5 . 1 1 37 37 LEU H H 37 8.725 8.725 8.474 0.251 19732 2367 1 5 . 1 1 38 38 ARG N N 38 115.612 115.612 116.986 -1.374 19732 2368 1 5 . 1 1 38 38 ARG HA H 38 3.997 3.997 3.982 0.015 19732 2369 1 5 . 1 1 38 38 ARG C C 38 177.661 177.661 177.714 -0.053 19732 2370 1 5 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.220 -0.708 19732 2371 1 5 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.781 0.154 19732 2372 1 5 . 1 1 38 38 ARG H H 38 7.446 7.446 7.913 -0.467 19732 2373 1 5 . 1 1 39 39 SER N N 39 111.883 111.883 112.910 -1.027 19732 2374 1 5 . 1 1 39 39 SER HA H 39 4.160 4.160 4.151 0.009 19732 2375 1 5 . 1 1 39 39 SER C C 39 175.401 175.401 175.558 -0.157 19732 2376 1 5 . 1 1 39 39 SER CA C 39 60.359 60.359 60.447 -0.088 19732 2377 1 5 . 1 1 39 39 SER CB C 39 63.228 63.228 63.027 0.201 19732 2378 1 5 . 1 1 39 39 SER H H 39 7.353 7.353 7.557 -0.204 19732 2379 1 5 . 1 1 40 40 PHE N N 40 117.136 117.136 119.308 -2.172 19732 2380 1 5 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.406 0.208 19732 2381 1 5 . 1 1 40 40 PHE C C 40 175.852 175.852 176.173 -0.321 19732 2382 1 5 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.173 -0.463 19732 2383 1 5 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.490 2.204 19732 2384 1 5 . 1 1 40 40 PHE H H 40 7.792 7.792 7.397 0.395 19732 2385 1 5 . 1 1 41 41 LEU N N 41 119.050 119.050 119.720 -0.670 19732 2386 1 5 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.486 0.391 19732 2387 1 5 . 1 1 41 41 LEU C C 41 174.510 174.510 175.782 -1.272 19732 2388 1 5 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.833 -0.741 19732 2389 1 5 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.764 0.273 19732 2390 1 5 . 1 1 41 41 LEU H H 41 8.114 8.114 8.187 -0.073 19732 2391 1 5 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.333 -0.031 19732 2392 1 5 . 1 1 42 42 PRO C C 42 177.620 177.620 177.265 0.355 19732 2393 1 5 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.640 -0.869 19732 2394 1 5 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.059 -0.378 19732 2395 1 5 . 1 1 43 43 THR N N 43 109.752 109.752 108.146 1.606 19732 2396 1 5 . 1 1 43 43 THR HA H 43 4.256 4.256 4.314 -0.058 19732 2397 1 5 . 1 1 43 43 THR C C 43 174.467 174.467 173.997 0.470 19732 2398 1 5 . 1 1 43 43 THR CA C 43 61.657 61.657 61.038 0.619 19732 2399 1 5 . 1 1 43 43 THR CB C 43 69.450 69.450 69.534 -0.084 19732 2400 1 5 . 1 1 43 43 THR H H 43 7.671 7.671 7.758 -0.087 19732 2401 1 5 . 1 1 44 44 MET N N 44 121.568 121.568 119.354 2.214 19732 2402 1 5 . 1 1 44 44 MET HA H 44 4.363 4.363 4.274 0.089 19732 2403 1 5 . 1 1 44 44 MET C C 44 175.373 175.373 175.319 0.054 19732 2404 1 5 . 1 1 44 44 MET CA C 44 55.710 55.710 56.103 -0.393 19732 2405 1 5 . 1 1 44 44 MET CB C 44 32.989 32.989 31.544 1.444 19732 2406 1 5 . 1 1 44 44 MET H H 44 8.037 8.037 7.829 0.208 19732 2407 1 5 . 1 1 45 45 ASP N N 45 121.980 121.980 123.262 -1.282 19732 2408 1 5 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.742 -0.221 19732 2409 1 5 . 1 1 45 45 ASP C C 45 176.022 176.022 176.083 -0.061 19732 2410 1 5 . 1 1 45 45 ASP CA C 45 54.371 54.371 52.643 1.728 19732 2411 1 5 . 1 1 45 45 ASP CB C 45 41.147 41.147 39.507 1.640 19732 2412 1 5 . 1 1 45 45 ASP H H 45 8.230 8.230 8.798 -0.568 19732 2413 1 5 . 1 1 46 46 LEU N N 46 122.192 122.192 116.545 5.647 19732 2414 1 5 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.470 -0.326 19732 2415 1 5 . 1 1 46 46 LEU C C 46 177.018 177.018 177.461 -0.443 19732 2416 1 5 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.874 0.039 19732 2417 1 5 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.896 0.280 19732 2418 1 5 . 1 1 46 46 LEU H H 46 8.028 8.028 7.238 0.790 19732 2419 1 5 . 1 1 47 47 ASP N N 47 120.573 120.573 119.121 1.452 19732 2420 1 5 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.526 -0.001 19732 2421 1 5 . 1 1 47 47 ASP C C 47 176.370 176.370 176.338 0.032 19732 2422 1 5 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.327 -0.119 19732 2423 1 5 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.455 0.699 19732 2424 1 5 . 1 1 47 47 ASP H H 47 8.238 8.238 8.460 -0.222 19732 2425 1 5 . 1 1 48 48 CYS N N 48 118.464 118.464 121.950 -3.486 19732 2426 1 5 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.439 -0.010 19732 2427 1 5 . 1 1 48 48 CYS C C 48 174.340 174.340 173.998 0.342 19732 2428 1 5 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.387 0.126 19732 2429 1 5 . 1 1 48 48 CYS CB C 48 27.953 27.953 26.573 1.380 19732 2430 1 5 . 1 1 48 48 CYS H H 48 8.068 8.068 7.473 0.595 19732 2431 1 5 . 1 1 49 49 SER N N 49 116.784 116.784 119.760 -2.976 19732 2432 1 5 . 1 1 49 49 SER HA H 49 4.302 4.302 4.325 -0.023 19732 2433 1 5 . 1 1 49 49 SER C C 49 173.897 173.897 174.388 -0.491 19732 2434 1 5 . 1 1 49 49 SER CA C 49 58.718 58.718 57.376 1.342 19732 2435 1 5 . 1 1 49 49 SER CB C 49 63.636 63.636 61.877 1.759 19732 2436 1 5 . 1 1 49 49 SER H H 49 8.185 8.185 8.210 -0.025 19732 2437 1 5 . 1 1 50 50 TYR N N 50 120.886 120.886 121.846 -0.960 19732 2438 1 5 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.634 -0.122 19732 2439 1 5 . 1 1 50 50 TYR C C 50 174.818 174.818 176.059 -1.241 19732 2440 1 5 . 1 1 50 50 TYR CA C 50 57.486 57.486 57.915 -0.429 19732 2441 1 5 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.593 0.203 19732 2442 1 5 . 1 1 50 50 TYR H H 50 7.776 7.776 6.980 0.796 19732 2443 1 5 . 1 1 51 51 GLU N N 51 122.800 122.800 118.680 4.120 19732 2444 1 5 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.819 -0.264 19732 2445 1 5 . 1 1 51 51 GLU C C 51 174.508 174.508 173.913 0.595 19732 2446 1 5 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.016 0.912 19732 2447 1 5 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.864 -1.639 19732 2448 1 5 . 1 1 51 51 GLU H H 51 8.026 8.026 7.739 0.287 19732 2449 1 5 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.493 -0.191 19732 2450 1 5 . 1 1 52 52 PRO C C 52 176.065 176.065 177.486 -1.421 19732 2451 1 5 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.598 1.086 19732 2452 1 5 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.118 -0.555 19732 2453 1 5 . 1 1 53 53 SER N N 53 110.611 110.611 115.400 -4.789 19732 2454 1 5 . 1 1 53 53 SER HA H 53 4.302 4.302 4.296 0.006 19732 2455 1 5 . 1 1 53 53 SER C C 53 173.858 173.858 173.896 -0.038 19732 2456 1 5 . 1 1 53 53 SER CA C 53 58.508 58.508 57.969 0.539 19732 2457 1 5 . 1 1 53 53 SER CB C 53 63.636 63.636 61.382 2.254 19732 2458 1 5 . 1 1 53 53 SER H H 53 7.934 7.934 8.613 -0.679 19732 2459 1 5 . 1 1 54 54 ASN N N 54 121.155 121.155 122.920 -1.765 19732 2460 1 5 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.693 0.185 19732 2461 1 5 . 1 1 54 54 ASN C C 54 174.167 174.167 175.477 -1.310 19732 2462 1 5 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.615 -1.144 19732 2463 1 5 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.137 0.867 19732 2464 1 5 . 1 1 54 54 ASN H H 54 7.666 7.666 7.922 -0.256 19732 2465 1 5 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.152 -0.123 19732 2466 1 5 . 1 1 55 55 PRO C C 55 177.787 177.787 178.866 -1.079 19732 2467 1 5 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.284 -0.698 19732 2468 1 5 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.962 0.401 19732 2469 1 5 . 1 1 56 56 GLU N N 56 117.292 117.292 117.224 0.068 19732 2470 1 5 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.353 -0.283 19732 2471 1 5 . 1 1 56 56 GLU C C 56 179.258 179.258 179.351 -0.093 19732 2472 1 5 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.410 0.062 19732 2473 1 5 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.243 -0.119 19732 2474 1 5 . 1 1 56 56 GLU H H 56 8.153 8.153 8.930 -0.777 19732 2475 1 5 . 1 1 57 57 VAL N N 57 120.730 120.730 121.256 -0.526 19732 2476 1 5 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.902 -0.334 19732 2477 1 5 . 1 1 57 57 VAL C C 57 178.039 178.039 178.046 -0.007 19732 2478 1 5 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.528 -0.563 19732 2479 1 5 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.685 0.300 19732 2480 1 5 . 1 1 57 57 VAL H H 57 7.556 7.556 7.404 0.152 19732 2481 1 5 . 1 1 58 58 ILE N N 58 119.892 119.892 120.537 -0.645 19732 2482 1 5 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.984 -0.274 19732 2483 1 5 . 1 1 58 58 ILE C C 58 178.096 178.096 178.539 -0.443 19732 2484 1 5 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.280 0.932 19732 2485 1 5 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.439 0.879 19732 2486 1 5 . 1 1 58 58 ILE H H 58 7.784 7.784 8.620 -0.836 19732 2487 1 5 . 1 1 59 59 HIS N N 59 117.644 117.644 119.722 -2.078 19732 2488 1 5 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.756 -0.609 19732 2489 1 5 . 1 1 59 59 HIS C C 59 177.576 177.576 177.937 -0.361 19732 2490 1 5 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.903 -0.408 19732 2491 1 5 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.512 -0.233 19732 2492 1 5 . 1 1 59 59 HIS H H 59 8.350 8.350 8.741 -0.391 19732 2493 1 5 . 1 1 60 60 ARG N N 60 118.248 118.248 119.428 -1.180 19732 2494 1 5 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.952 0.094 19732 2495 1 5 . 1 1 60 60 ARG C C 60 179.642 179.642 178.737 0.905 19732 2496 1 5 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.593 0.353 19732 2497 1 5 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.209 0.098 19732 2498 1 5 . 1 1 60 60 ARG H H 60 7.776 7.776 8.089 -0.313 19732 2499 1 5 . 1 1 61 61 GLN N N 61 119.475 119.475 118.769 0.706 19732 2500 1 5 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.113 -0.047 19732 2501 1 5 . 1 1 61 61 GLN C C 61 178.650 178.650 178.680 -0.030 19732 2502 1 5 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.958 0.067 19732 2503 1 5 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.860 -0.708 19732 2504 1 5 . 1 1 61 61 GLN H H 61 8.460 8.460 7.948 0.512 19732 2505 1 5 . 1 1 62 62 LEU N N 62 117.882 117.882 119.619 -1.737 19732 2506 1 5 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.382 -0.254 19732 2507 1 5 . 1 1 62 62 LEU C C 62 179.260 179.260 178.708 0.552 19732 2508 1 5 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.936 1.059 19732 2509 1 5 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.438 0.193 19732 2510 1 5 . 1 1 62 62 LEU H H 62 8.742 8.742 8.818 -0.076 19732 2511 1 5 . 1 1 63 63 ASN N N 63 117.409 117.409 118.644 -1.235 19732 2512 1 5 . 1 1 63 63 ASN HA H 63 4.230 4.230 3.545 0.685 19732 2513 1 5 . 1 1 63 63 ASN C C 63 178.050 178.050 177.168 0.882 19732 2514 1 5 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.428 0.237 19732 2515 1 5 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.374 0.304 19732 2516 1 5 . 1 1 63 63 ASN H H 63 8.279 8.279 8.303 -0.024 19732 2517 1 5 . 1 1 64 64 ARG N N 64 119.753 119.753 118.829 0.924 19732 2518 1 5 . 1 1 64 64 ARG HA H 64 4.042 4.042 3.997 0.045 19732 2519 1 5 . 1 1 64 64 ARG C C 64 178.914 178.914 178.826 0.088 19732 2520 1 5 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.514 0.346 19732 2521 1 5 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.756 0.013 19732 2522 1 5 . 1 1 64 64 ARG H H 64 7.784 7.784 7.840 -0.056 19732 2523 1 5 . 1 1 65 65 LEU N N 65 120.009 120.009 119.146 0.863 19732 2524 1 5 . 1 1 65 65 LEU HA H 65 3.939 3.939 3.998 -0.059 19732 2525 1 5 . 1 1 65 65 LEU C C 65 178.481 178.481 178.770 -0.289 19732 2526 1 5 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.281 1.026 19732 2527 1 5 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.659 0.798 19732 2528 1 5 . 1 1 65 65 LEU H H 65 7.779 7.779 7.406 0.373 19732 2529 1 5 . 1 1 66 66 PHE N N 66 118.503 118.503 120.290 -1.787 19732 2530 1 5 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.275 -0.300 19732 2531 1 5 . 1 1 66 66 PHE C C 66 178.269 178.269 176.067 2.202 19732 2532 1 5 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.772 1.065 19732 2533 1 5 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.638 0.113 19732 2534 1 5 . 1 1 66 66 PHE H H 66 8.287 8.287 7.512 0.775 19732 2535 1 5 . 1 1 67 67 ALA N N 67 119.206 119.206 119.286 -0.080 19732 2536 1 5 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.899 -0.000 19732 2537 1 5 . 1 1 67 67 ALA C C 67 178.876 178.876 179.169 -0.293 19732 2538 1 5 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.653 0.005 19732 2539 1 5 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.564 -0.522 19732 2540 1 5 . 1 1 67 67 ALA H H 67 7.902 7.902 7.837 0.065 19732 2541 1 5 . 1 1 68 68 GLN N N 68 115.534 115.534 116.623 -1.089 19732 2542 1 5 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.241 -0.126 19732 2543 1 5 . 1 1 68 68 GLN C C 68 177.274 177.274 176.785 0.489 19732 2544 1 5 . 1 1 68 68 GLN CA C 68 56.396 56.396 55.797 0.599 19732 2545 1 5 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.677 -0.836 19732 2546 1 5 . 1 1 68 68 GLN H H 68 7.572 7.572 7.600 -0.028 19732 2547 1 5 . 1 1 69 69 GLY N N 69 106.861 106.861 104.924 1.937 19732 2548 1 5 . 1 1 69 69 GLY C C 69 173.690 173.690 173.494 0.196 19732 2549 1 5 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.904 -1.016 19732 2550 1 5 . 1 1 69 69 GLY H H 69 7.486 7.486 7.431 0.055 19732 2551 1 5 . 1 1 70 70 MET N N 70 119.355 119.355 120.030 -0.675 19732 2552 1 5 . 1 1 70 70 MET HA H 70 4.117 4.117 4.557 -0.440 19732 2553 1 5 . 1 1 70 70 MET C C 70 177.743 177.743 177.441 0.302 19732 2554 1 5 . 1 1 70 70 MET CA C 70 57.396 57.396 57.789 -0.393 19732 2555 1 5 . 1 1 70 70 MET CB C 70 30.638 30.638 32.392 -1.754 19732 2556 1 5 . 1 1 70 70 MET H H 70 8.245 8.245 8.507 -0.262 19732 2557 1 5 . 1 1 71 71 ALA N N 71 120.691 120.691 123.903 -3.212 19732 2558 1 5 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.208 -0.145 19732 2559 1 5 . 1 1 71 71 ALA C C 71 181.027 181.027 179.786 1.241 19732 2560 1 5 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.876 0.766 19732 2561 1 5 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.615 -0.050 19732 2562 1 5 . 1 1 71 71 ALA H H 71 8.624 8.624 8.382 0.242 19732 2563 1 5 . 1 1 72 72 THR N N 72 116.354 116.354 115.997 0.357 19732 2564 1 5 . 1 1 72 72 THR HA H 72 3.825 3.825 4.025 -0.200 19732 2565 1 5 . 1 1 72 72 THR C C 72 174.861 174.861 176.394 -1.533 19732 2566 1 5 . 1 1 72 72 THR CA C 72 66.992 66.992 66.786 0.206 19732 2567 1 5 . 1 1 72 72 THR CB C 72 68.355 68.355 68.637 -0.282 19732 2568 1 5 . 1 1 72 72 THR H H 72 7.525 7.525 7.835 -0.310 19732 2569 1 5 . 1 1 73 73 TRP N N 73 122.292 122.292 122.500 -0.208 19732 2570 1 5 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.282 0.049 19732 2571 1 5 . 1 1 73 73 TRP C C 73 176.757 176.757 177.573 -0.816 19732 2572 1 5 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.034 -0.475 19732 2573 1 5 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.997 0.359 19732 2574 1 5 . 1 1 73 73 TRP H H 73 8.090 8.090 8.385 -0.295 19732 2575 1 5 . 1 1 74 74 LYS N N 74 115.768 115.768 118.366 -2.598 19732 2576 1 5 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.911 -0.172 19732 2577 1 5 . 1 1 74 74 LYS C C 74 178.957 178.957 179.440 -0.483 19732 2578 1 5 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.240 0.193 19732 2579 1 5 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.197 0.125 19732 2580 1 5 . 1 1 74 74 LYS H H 74 9.001 9.001 8.164 0.837 19732 2581 1 5 . 1 1 75 75 SER N N 75 115.378 115.378 115.554 -0.176 19732 2582 1 5 . 1 1 75 75 SER HA H 75 4.211 4.211 4.323 -0.112 19732 2583 1 5 . 1 1 75 75 SER C C 75 175.465 175.465 176.295 -0.830 19732 2584 1 5 . 1 1 75 75 SER CA C 75 61.999 61.999 61.358 0.641 19732 2585 1 5 . 1 1 75 75 SER CB C 75 63.160 63.160 62.988 0.172 19732 2586 1 5 . 1 1 75 75 SER H H 75 7.604 7.604 8.090 -0.486 19732 2587 1 5 . 1 1 76 76 PHE N N 76 121.707 121.707 123.730 -2.023 19732 2588 1 5 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.147 -0.131 19732 2589 1 5 . 1 1 76 76 PHE C C 76 175.983 175.983 176.958 -0.975 19732 2590 1 5 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.402 0.080 19732 2591 1 5 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.814 -0.535 19732 2592 1 5 . 1 1 76 76 PHE H H 76 8.200 8.200 8.369 -0.169 19732 2593 1 5 . 1 1 77 77 ILE N N 77 117.448 117.448 118.313 -0.865 19732 2594 1 5 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.393 -0.062 19732 2595 1 5 . 1 1 77 77 ILE C C 77 177.919 177.919 178.131 -0.212 19732 2596 1 5 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.527 -3.033 19732 2597 1 5 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.046 -1.324 19732 2598 1 5 . 1 1 77 77 ILE H H 77 8.193 8.193 8.491 -0.298 19732 2599 1 5 . 1 1 78 78 ASN N N 78 119.831 119.831 119.889 -0.058 19732 2600 1 5 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.676 -0.458 19732 2601 1 5 . 1 1 78 78 ASN C C 78 177.228 177.228 177.481 -0.253 19732 2602 1 5 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.514 1.277 19732 2603 1 5 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.562 0.742 19732 2604 1 5 . 1 1 78 78 ASN H H 78 8.224 8.224 7.877 0.347 19732 2605 1 5 . 1 1 79 79 ASP N N 79 119.402 119.402 120.905 -1.503 19732 2606 1 5 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.584 -0.095 19732 2607 1 5 . 1 1 79 79 ASP C C 79 177.600 177.600 178.747 -1.147 19732 2608 1 5 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.264 0.311 19732 2609 1 5 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.716 -0.799 19732 2610 1 5 . 1 1 79 79 ASP H H 79 8.028 8.028 7.750 0.278 19732 2611 1 5 . 1 1 80 80 LEU N N 80 122.293 122.293 121.866 0.427 19732 2612 1 5 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.871 -0.383 19732 2613 1 5 . 1 1 80 80 LEU C C 80 178.561 178.561 178.471 0.090 19732 2614 1 5 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.528 0.804 19732 2615 1 5 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.313 1.067 19732 2616 1 5 . 1 1 80 80 LEU H H 80 8.491 8.491 8.466 0.025 19732 2617 1 5 . 1 1 81 81 CYS N N 81 114.479 114.479 116.475 -1.996 19732 2618 1 5 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.054 -0.123 19732 2619 1 5 . 1 1 81 81 CYS C C 81 176.754 176.754 176.919 -0.165 19732 2620 1 5 . 1 1 81 81 CYS CA C 81 63.543 63.543 64.464 -0.921 19732 2621 1 5 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.061 -0.404 19732 2622 1 5 . 1 1 81 81 CYS H H 81 8.169 8.169 8.241 -0.072 19732 2623 1 5 . 1 1 82 82 PHE N N 82 115.964 115.964 121.154 -5.190 19732 2624 1 5 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.196 0.126 19732 2625 1 5 . 1 1 82 82 PHE C C 82 178.485 178.485 176.772 1.713 19732 2626 1 5 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.282 -0.407 19732 2627 1 5 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.388 0.443 19732 2628 1 5 . 1 1 82 82 PHE H H 82 7.863 7.863 7.802 0.061 19732 2629 1 5 . 1 1 83 83 GLU N N 83 116.314 116.314 117.465 -1.151 19732 2630 1 5 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.033 0.012 19732 2631 1 5 . 1 1 83 83 GLU C C 83 177.877 177.877 177.454 0.423 19732 2632 1 5 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.115 0.630 19732 2633 1 5 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.349 -0.071 19732 2634 1 5 . 1 1 83 83 GLU H H 83 9.049 9.049 8.657 0.392 19732 2635 1 5 . 1 1 84 84 LEU N N 84 116.042 116.042 118.093 -2.051 19732 2636 1 5 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.143 0.094 19732 2637 1 5 . 1 1 84 84 LEU C C 84 175.868 175.868 177.293 -1.425 19732 2638 1 5 . 1 1 84 84 LEU CA C 84 53.657 53.657 55.779 -2.122 19732 2639 1 5 . 1 1 84 84 LEU CB C 84 40.104 40.104 43.254 -3.150 19732 2640 1 5 . 1 1 84 84 LEU H H 84 7.713 7.713 7.468 0.245 19732 2641 1 5 . 1 1 85 85 ASP N N 85 116.940 116.940 117.442 -0.502 19732 2642 1 5 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.769 -0.519 19732 2643 1 5 . 1 1 85 85 ASP C C 85 174.424 174.424 174.417 0.007 19732 2644 1 5 . 1 1 85 85 ASP CA C 85 54.685 54.685 53.135 1.550 19732 2645 1 5 . 1 1 85 85 ASP CB C 85 38.821 38.821 44.405 -5.584 19732 2646 1 5 . 1 1 85 85 ASP H H 85 7.164 7.164 7.807 -0.643 19732 2647 1 5 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.570 -0.164 19732 2648 1 5 . 1 1 87 87 PRO C C 87 177.572 177.572 176.547 1.025 19732 2649 1 5 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.146 0.013 19732 2650 1 5 . 1 1 87 87 PRO CB C 87 32.260 32.260 30.563 1.697 19732 2651 1 5 . 1 1 88 88 LEU N N 88 122.410 122.410 121.927 0.483 19732 2652 1 5 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.349 -0.418 19732 2653 1 5 . 1 1 88 88 LEU C C 88 179.214 179.214 177.233 1.981 19732 2654 1 5 . 1 1 88 88 LEU CA C 88 57.281 57.281 54.988 2.293 19732 2655 1 5 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.287 -0.207 19732 2656 1 5 . 1 1 88 88 LEU H H 88 8.271 8.271 8.047 0.224 19732 2657 1 5 . 1 1 91 91 GLU N N 91 121.224 121.224 123.633 -2.409 19732 2658 1 5 . 1 1 91 91 GLU HA H 91 3.537 3.537 3.994 -0.457 19732 2659 1 5 . 1 1 91 91 GLU C C 91 176.926 176.926 177.497 -0.571 19732 2660 1 5 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.673 1.406 19732 2661 1 5 . 1 1 91 91 GLU CB C 91 29.485 29.485 30.020 -0.535 19732 2662 1 5 . 1 1 91 91 GLU H H 91 7.775 7.775 8.173 -0.398 19732 2663 1 5 . 1 1 92 92 ILE N N 92 115.836 115.836 119.097 -3.261 19732 2664 1 5 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.010 -0.100 19732 2665 1 5 . 1 1 92 92 ILE C C 92 177.704 177.704 175.919 1.785 19732 2666 1 5 . 1 1 92 92 ILE CA C 92 66.030 66.030 65.093 0.937 19732 2667 1 5 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.753 -0.302 19732 2668 1 5 . 1 1 92 92 ILE H H 92 8.259 8.259 8.523 -0.264 19732 2669 1 5 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.181 -0.064 19732 2670 1 5 . 1 1 93 93 PRO C C 93 178.653 178.653 177.815 0.838 19732 2671 1 5 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.270 -0.267 19732 2672 1 5 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.125 0.011 19732 2673 1 5 . 1 1 94 94 LEU N N 94 114.952 114.952 114.855 0.097 19732 2674 1 5 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.349 -0.223 19732 2675 1 5 . 1 1 94 94 LEU C C 94 180.119 180.119 179.457 0.662 19732 2676 1 5 . 1 1 94 94 LEU CA C 94 57.785 57.785 56.964 0.821 19732 2677 1 5 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.570 1.190 19732 2678 1 5 . 1 1 94 94 LEU H H 94 7.657 7.657 7.483 0.174 19732 2679 1 5 . 1 1 95 95 VAL N N 95 119.986 119.986 118.239 1.747 19732 2680 1 5 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.300 -0.292 19732 2681 1 5 . 1 1 95 95 VAL C C 95 177.559 177.559 178.184 -0.625 19732 2682 1 5 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.361 0.305 19732 2683 1 5 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.447 0.267 19732 2684 1 5 . 1 1 95 95 VAL H H 95 8.873 8.873 8.177 0.696 19732 2685 1 5 . 1 1 96 96 SER N N 96 111.863 111.863 113.904 -2.041 19732 2686 1 5 . 1 1 96 96 SER HA H 96 4.598 4.598 4.469 0.129 19732 2687 1 5 . 1 1 96 96 SER C C 96 175.113 175.113 176.075 -0.962 19732 2688 1 5 . 1 1 96 96 SER CA C 96 59.163 59.163 58.357 0.806 19732 2689 1 5 . 1 1 96 96 SER CB C 96 63.552 63.552 62.237 1.315 19732 2690 1 5 . 1 1 96 96 SER H H 96 7.823 7.823 8.523 -0.700 19732 2691 1 5 . 1 1 97 97 ILE N N 97 120.300 120.300 123.105 -2.805 19732 2692 1 5 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.162 -0.343 19732 2693 1 5 . 1 1 97 97 ILE C C 97 174.601 174.601 176.343 -1.742 19732 2694 1 5 . 1 1 97 97 ILE CA C 97 63.804 63.804 63.846 -0.042 19732 2695 1 5 . 1 1 97 97 ILE CB C 97 39.059 39.059 37.898 1.161 19732 2696 1 5 . 1 1 97 97 ILE H H 97 7.014 7.014 7.382 -0.368 19732 2697 1 5 . 1 1 98 98 TRP N N 98 120.222 120.222 118.487 1.735 19732 2698 1 5 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.217 -0.155 19732 2699 1 5 . 1 1 98 98 TRP C C 98 176.502 176.502 175.832 0.670 19732 2700 1 5 . 1 1 98 98 TRP CA C 98 57.790 57.790 56.907 0.883 19732 2701 1 5 . 1 1 98 98 TRP CB C 98 28.963 28.963 29.703 -0.740 19732 2702 1 5 . 1 1 98 98 TRP H H 98 7.651 7.651 7.361 0.290 19732 2703 1 5 . 1 1 99 99 GLY N N 99 109.003 109.003 107.568 1.435 19732 2704 1 5 . 1 1 99 99 GLY C C 99 170.846 170.846 172.255 -1.409 19732 2705 1 5 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.279 0.358 19732 2706 1 5 . 1 1 99 99 GLY H H 99 7.240 7.240 7.431 -0.191 19732 2707 1 5 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.759 -0.460 19732 2708 1 5 . 1 1 100 100 PRO C C 100 176.200 176.200 175.626 0.574 19732 2709 1 5 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.220 -0.216 19732 2710 1 5 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.941 -0.133 19732 2711 1 6 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.450 -0.040 19732 2712 1 6 . 1 1 2 2 PRO C C 2 176.929 176.929 177.159 -0.230 19732 2713 1 6 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.246 -0.105 19732 2714 1 6 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.284 -0.050 19732 2715 1 6 . 1 1 3 3 LEU N N 3 121.746 121.746 121.225 0.521 19732 2716 1 6 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.283 -0.006 19732 2717 1 6 . 1 1 3 3 LEU C C 3 177.789 177.789 177.435 0.354 19732 2718 1 6 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.899 0.468 19732 2719 1 6 . 1 1 3 3 LEU CB C 3 42.157 42.157 41.934 0.223 19732 2720 1 6 . 1 1 3 3 LEU H H 3 8.420 8.420 7.828 0.592 19732 2721 1 6 . 1 1 4 4 GLY N N 4 109.400 109.400 112.905 -3.505 19732 2722 1 6 . 1 1 4 4 GLY C C 4 174.208 174.208 174.188 0.020 19732 2723 1 6 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.940 0.315 19732 2724 1 6 . 1 1 4 4 GLY H H 4 8.326 8.326 8.083 0.243 19732 2725 1 6 . 1 1 5 5 SER N N 5 115.339 115.339 117.853 -2.514 19732 2726 1 6 . 1 1 5 5 SER HA H 5 4.363 4.363 4.363 0.000 19732 2727 1 6 . 1 1 5 5 SER C C 5 174.549 174.549 175.328 -0.779 19732 2728 1 6 . 1 1 5 5 SER CA C 5 58.443 58.443 59.076 -0.633 19732 2729 1 6 . 1 1 5 5 SER CB C 5 63.773 63.773 63.566 0.207 19732 2730 1 6 . 1 1 5 5 SER H H 5 8.098 8.098 7.983 0.115 19732 2731 1 6 . 1 1 6 6 MET N N 6 121.404 121.404 122.926 -1.522 19732 2732 1 6 . 1 1 6 6 MET HA H 6 4.427 4.427 4.630 -0.203 19732 2733 1 6 . 1 1 6 6 MET C C 6 175.724 175.724 175.575 0.149 19732 2734 1 6 . 1 1 6 6 MET CA C 6 55.612 55.612 55.820 -0.208 19732 2735 1 6 . 1 1 6 6 MET CB C 6 32.874 32.874 32.267 0.607 19732 2736 1 6 . 1 1 6 6 MET H H 6 8.326 8.326 8.828 -0.502 19732 2737 1 6 . 1 1 7 7 ASP N N 7 120.769 120.769 121.497 -0.728 19732 2738 1 6 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.950 -0.433 19732 2739 1 6 . 1 1 7 7 ASP C C 7 176.111 176.111 175.883 0.228 19732 2740 1 6 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.279 -0.142 19732 2741 1 6 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.673 1.612 19732 2742 1 6 . 1 1 7 7 ASP H H 7 8.114 8.114 8.511 -0.397 19732 2743 1 6 . 1 1 8 8 ALA N N 8 123.543 123.543 121.240 2.303 19732 2744 1 6 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.231 -0.172 19732 2745 1 6 . 1 1 8 8 ALA C C 8 178.788 178.788 178.687 0.101 19732 2746 1 6 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.455 -0.524 19732 2747 1 6 . 1 1 8 8 ALA CB C 8 18.927 18.927 19.079 -0.152 19732 2748 1 6 . 1 1 8 8 ALA H H 8 8.248 8.248 7.588 0.660 19732 2749 1 6 . 1 1 9 9 GLU N N 9 118.034 118.034 118.925 -0.891 19732 2750 1 6 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.001 0.125 19732 2751 1 6 . 1 1 9 9 GLU C C 9 177.485 177.485 178.979 -1.494 19732 2752 1 6 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.290 -1.450 19732 2753 1 6 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.057 1.545 19732 2754 1 6 . 1 1 9 9 GLU H H 9 8.255 8.255 8.509 -0.254 19732 2755 1 6 . 1 1 10 10 SER N N 10 115.260 115.260 114.707 0.553 19732 2756 1 6 . 1 1 10 10 SER HA H 10 4.232 4.232 4.203 0.029 19732 2757 1 6 . 1 1 10 10 SER C C 10 175.552 175.552 175.702 -0.150 19732 2758 1 6 . 1 1 10 10 SER CA C 10 60.015 60.015 60.819 -0.804 19732 2759 1 6 . 1 1 10 10 SER CB C 10 63.225 63.225 62.976 0.249 19732 2760 1 6 . 1 1 10 10 SER H H 10 7.992 7.992 8.250 -0.258 19732 2761 1 6 . 1 1 11 11 ILE N N 11 121.199 121.199 120.134 1.065 19732 2762 1 6 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.023 -0.133 19732 2763 1 6 . 1 1 11 11 ILE C C 11 176.411 176.411 177.744 -1.333 19732 2764 1 6 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.350 -0.600 19732 2765 1 6 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.313 -0.040 19732 2766 1 6 . 1 1 11 11 ILE H H 11 7.729 7.729 7.527 0.202 19732 2767 1 6 . 1 1 12 12 ARG N N 12 121.248 121.248 118.873 2.375 19732 2768 1 6 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.275 -0.162 19732 2769 1 6 . 1 1 12 12 ARG C C 12 176.970 176.970 176.621 0.349 19732 2770 1 6 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.909 0.168 19732 2771 1 6 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.995 -0.499 19732 2772 1 6 . 1 1 12 12 ARG H H 12 7.853 7.853 8.029 -0.176 19732 2773 1 6 . 1 1 13 13 LEU N N 13 120.701 120.701 116.394 4.307 19732 2774 1 6 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.941 0.277 19732 2775 1 6 . 1 1 13 13 LEU C C 13 177.620 177.620 175.454 2.166 19732 2776 1 6 . 1 1 13 13 LEU CA C 13 55.297 55.297 56.132 -0.835 19732 2777 1 6 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.439 1.735 19732 2778 1 6 . 1 1 13 13 LEU H H 13 8.020 8.020 8.373 -0.353 19732 2779 1 6 . 1 1 16 16 GLU N N 16 120.417 120.417 125.317 -4.900 19732 2780 1 6 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.135 -0.010 19732 2781 1 6 . 1 1 16 16 GLU C C 16 178.929 178.929 177.890 1.039 19732 2782 1 6 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.388 0.217 19732 2783 1 6 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.901 -0.510 19732 2784 1 6 . 1 1 16 16 GLU H H 16 8.465 8.465 9.009 -0.544 19732 2785 1 6 . 1 1 17 17 ASN N N 17 118.855 118.855 118.494 0.361 19732 2786 1 6 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.529 0.090 19732 2787 1 6 . 1 1 17 17 ASN C C 17 177.835 177.835 177.848 -0.013 19732 2788 1 6 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.096 -0.558 19732 2789 1 6 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.572 -0.361 19732 2790 1 6 . 1 1 17 17 ASN H H 17 8.428 8.428 9.002 -0.574 19732 2791 1 6 . 1 1 18 18 LEU N N 18 123.972 123.972 121.799 2.173 19732 2792 1 6 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.280 -0.060 19732 2793 1 6 . 1 1 18 18 LEU C C 18 178.248 178.248 178.049 0.199 19732 2794 1 6 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.704 0.181 19732 2795 1 6 . 1 1 18 18 LEU CB C 18 41.697 41.697 42.033 -0.336 19732 2796 1 6 . 1 1 18 18 LEU H H 18 8.208 8.208 7.565 0.643 19732 2797 1 6 . 1 1 19 19 TRP N N 19 119.362 119.362 121.454 -2.092 19732 2798 1 6 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.186 -0.020 19732 2799 1 6 . 1 1 19 19 TRP C C 19 177.617 177.617 177.673 -0.056 19732 2800 1 6 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.710 0.186 19732 2801 1 6 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.798 -0.371 19732 2802 1 6 . 1 1 19 19 TRP H H 19 8.316 8.316 8.151 0.165 19732 2803 1 6 . 1 1 20 20 ALA N N 20 118.581 118.581 121.366 -2.785 19732 2804 1 6 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.850 0.200 19732 2805 1 6 . 1 1 20 20 ALA C C 20 180.422 180.422 179.179 1.243 19732 2806 1 6 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.130 0.034 19732 2807 1 6 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.930 0.110 19732 2808 1 6 . 1 1 20 20 ALA H H 20 7.957 7.957 8.714 -0.757 19732 2809 1 6 . 1 1 21 21 TRP N N 21 119.753 119.753 121.058 -1.305 19732 2810 1 6 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.277 -0.384 19732 2811 1 6 . 1 1 21 21 TRP C C 21 177.494 177.494 177.732 -0.238 19732 2812 1 6 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.004 2.094 19732 2813 1 6 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.968 -1.325 19732 2814 1 6 . 1 1 21 21 TRP H H 21 8.043 8.043 8.103 -0.060 19732 2815 1 6 . 1 1 22 22 LEU N N 22 122.136 122.136 120.604 1.532 19732 2816 1 6 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.624 -0.185 19732 2817 1 6 . 1 1 22 22 LEU C C 22 178.075 178.075 178.839 -0.764 19732 2818 1 6 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.066 -0.311 19732 2819 1 6 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.141 0.829 19732 2820 1 6 . 1 1 22 22 LEU H H 22 8.553 8.553 8.402 0.151 19732 2821 1 6 . 1 1 23 23 VAL N N 23 118.034 118.034 118.763 -0.729 19732 2822 1 6 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.344 -0.031 19732 2823 1 6 . 1 1 23 23 VAL C C 23 178.401 178.401 177.758 0.643 19732 2824 1 6 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.157 -0.033 19732 2825 1 6 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.105 0.195 19732 2826 1 6 . 1 1 23 23 VAL H H 23 8.341 8.341 8.144 0.197 19732 2827 1 6 . 1 1 24 24 ARG N N 24 120.377 120.377 119.108 1.269 19732 2828 1 6 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.907 -0.093 19732 2829 1 6 . 1 1 24 24 ARG C C 24 179.205 179.205 178.439 0.766 19732 2830 1 6 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.336 0.768 19732 2831 1 6 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.273 -0.238 19732 2832 1 6 . 1 1 24 24 ARG H H 24 7.856 7.856 7.857 -0.001 19732 2833 1 6 . 1 1 25 25 LEU N N 25 121.668 121.668 120.244 1.424 19732 2834 1 6 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.868 -0.205 19732 2835 1 6 . 1 1 25 25 LEU C C 25 179.943 179.943 179.126 0.817 19732 2836 1 6 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.365 0.683 19732 2837 1 6 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.997 0.031 19732 2838 1 6 . 1 1 25 25 LEU H H 25 7.838 7.838 7.929 -0.091 19732 2839 1 6 . 1 1 26 26 LEU N N 26 118.308 118.308 118.027 0.281 19732 2840 1 6 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.052 -0.141 19732 2841 1 6 . 1 1 26 26 LEU C C 26 179.471 179.471 179.387 0.084 19732 2842 1 6 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.472 0.001 19732 2843 1 6 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.815 0.214 19732 2844 1 6 . 1 1 26 26 LEU H H 26 8.247 8.247 8.120 0.127 19732 2845 1 6 . 1 1 27 27 SER N N 27 115.768 115.768 113.545 2.223 19732 2846 1 6 . 1 1 27 27 SER HA H 27 4.020 4.020 4.235 -0.215 19732 2847 1 6 . 1 1 27 27 SER C C 27 174.990 174.990 175.104 -0.114 19732 2848 1 6 . 1 1 27 27 SER CA C 27 61.755 61.755 60.202 1.553 19732 2849 1 6 . 1 1 27 27 SER CB C 27 62.755 62.755 62.978 -0.223 19732 2850 1 6 . 1 1 27 27 SER H H 27 8.436 8.436 7.871 0.565 19732 2851 1 6 . 1 1 28 28 LYS N N 28 117.644 117.644 117.668 -0.024 19732 2852 1 6 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.361 -0.047 19732 2853 1 6 . 1 1 28 28 LYS C C 28 175.979 175.979 176.274 -0.295 19732 2854 1 6 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.122 0.065 19732 2855 1 6 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.816 -0.025 19732 2856 1 6 . 1 1 28 28 LYS H H 28 7.014 7.014 7.388 -0.374 19732 2857 1 6 . 1 1 29 29 ASN N N 29 118.347 118.347 117.638 0.709 19732 2858 1 6 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.298 -0.017 19732 2859 1 6 . 1 1 29 29 ASN C C 29 171.835 171.835 173.610 -1.775 19732 2860 1 6 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.179 1.145 19732 2861 1 6 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.019 2.607 19732 2862 1 6 . 1 1 29 29 ASN H H 29 7.611 7.611 7.809 -0.198 19732 2863 1 6 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.426 0.025 19732 2864 1 6 . 1 1 30 30 PRO C C 30 179.560 179.560 178.274 1.286 19732 2865 1 6 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.070 0.799 19732 2866 1 6 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.113 -0.711 19732 2867 1 6 . 1 1 31 31 GLU N N 31 119.636 119.636 118.710 0.926 19732 2868 1 6 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.129 -0.003 19732 2869 1 6 . 1 1 31 31 GLU C C 31 179.253 179.253 178.792 0.461 19732 2870 1 6 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.665 0.007 19732 2871 1 6 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.942 -0.577 19732 2872 1 6 . 1 1 31 31 GLU H H 31 8.593 8.593 8.764 -0.171 19732 2873 1 6 . 1 1 32 32 TRP N N 32 122.293 122.293 121.841 0.452 19732 2874 1 6 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.423 -0.390 19732 2875 1 6 . 1 1 32 32 TRP C C 32 178.055 178.055 177.893 0.162 19732 2876 1 6 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.659 1.197 19732 2877 1 6 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.596 -0.480 19732 2878 1 6 . 1 1 32 32 TRP H H 32 7.933 7.933 7.354 0.579 19732 2879 1 6 . 1 1 33 33 LEU N N 33 117.409 117.409 120.716 -3.307 19732 2880 1 6 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.718 0.172 19732 2881 1 6 . 1 1 33 33 LEU C C 33 177.934 177.934 178.563 -0.629 19732 2882 1 6 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.155 0.023 19732 2883 1 6 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.709 -0.152 19732 2884 1 6 . 1 1 33 33 LEU H H 33 8.012 8.012 8.680 -0.668 19732 2885 1 6 . 1 1 34 34 SER N N 34 113.257 113.257 114.953 -1.696 19732 2886 1 6 . 1 1 34 34 SER HA H 34 3.975 3.975 4.013 -0.038 19732 2887 1 6 . 1 1 34 34 SER C C 34 176.363 176.363 176.464 -0.101 19732 2888 1 6 . 1 1 34 34 SER CA C 34 62.194 62.194 62.545 -0.351 19732 2889 1 6 . 1 1 34 34 SER CB C 34 62.739 62.739 62.295 0.444 19732 2890 1 6 . 1 1 34 34 SER H H 34 8.335 8.335 8.512 -0.177 19732 2891 1 6 . 1 1 35 35 ALA N N 35 121.511 121.511 124.285 -2.774 19732 2892 1 6 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.898 0.059 19732 2893 1 6 . 1 1 35 35 ALA C C 35 180.728 180.728 178.993 1.735 19732 2894 1 6 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.983 -0.094 19732 2895 1 6 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.087 -0.312 19732 2896 1 6 . 1 1 35 35 ALA H H 35 7.391 7.391 7.393 -0.002 19732 2897 1 6 . 1 1 36 36 LYS N N 36 118.386 118.386 118.302 0.084 19732 2898 1 6 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.053 -0.219 19732 2899 1 6 . 1 1 36 36 LYS C C 36 179.578 179.578 179.171 0.407 19732 2900 1 6 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.998 -1.401 19732 2901 1 6 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.014 -1.531 19732 2902 1 6 . 1 1 36 36 LYS H H 36 7.823 7.823 7.247 0.576 19732 2903 1 6 . 1 1 37 37 LEU N N 37 119.480 119.480 119.971 -0.491 19732 2904 1 6 . 1 1 37 37 LEU HA H 37 3.890 3.890 3.958 -0.068 19732 2905 1 6 . 1 1 37 37 LEU C C 37 178.529 178.529 178.607 -0.078 19732 2906 1 6 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.709 -0.062 19732 2907 1 6 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.380 -0.232 19732 2908 1 6 . 1 1 37 37 LEU H H 37 8.725 8.725 8.718 0.007 19732 2909 1 6 . 1 1 38 38 ARG N N 38 115.612 115.612 117.229 -1.617 19732 2910 1 6 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.042 -0.045 19732 2911 1 6 . 1 1 38 38 ARG C C 38 177.661 177.661 177.523 0.138 19732 2912 1 6 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.689 -0.177 19732 2913 1 6 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.732 0.203 19732 2914 1 6 . 1 1 38 38 ARG H H 38 7.446 7.446 8.231 -0.785 19732 2915 1 6 . 1 1 39 39 SER N N 39 111.883 111.883 114.003 -2.120 19732 2916 1 6 . 1 1 39 39 SER HA H 39 4.160 4.160 4.210 -0.050 19732 2917 1 6 . 1 1 39 39 SER C C 39 175.401 175.401 175.051 0.350 19732 2918 1 6 . 1 1 39 39 SER CA C 39 60.359 60.359 60.718 -0.359 19732 2919 1 6 . 1 1 39 39 SER CB C 39 63.228 63.228 63.177 0.051 19732 2920 1 6 . 1 1 39 39 SER H H 39 7.353 7.353 7.431 -0.078 19732 2921 1 6 . 1 1 40 40 PHE N N 40 117.136 117.136 118.483 -1.347 19732 2922 1 6 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.554 0.060 19732 2923 1 6 . 1 1 40 40 PHE C C 40 175.852 175.852 175.851 0.001 19732 2924 1 6 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.430 0.280 19732 2925 1 6 . 1 1 40 40 PHE CB C 40 41.694 41.694 40.339 1.355 19732 2926 1 6 . 1 1 40 40 PHE H H 40 7.792 7.792 7.359 0.433 19732 2927 1 6 . 1 1 41 41 LEU N N 41 119.050 119.050 120.466 -1.416 19732 2928 1 6 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.508 0.369 19732 2929 1 6 . 1 1 41 41 LEU C C 41 174.510 174.510 176.222 -1.712 19732 2930 1 6 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.979 -0.887 19732 2931 1 6 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.504 0.533 19732 2932 1 6 . 1 1 41 41 LEU H H 41 8.114 8.114 8.306 -0.192 19732 2933 1 6 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.355 -0.053 19732 2934 1 6 . 1 1 42 42 PRO C C 42 177.620 177.620 177.480 0.140 19732 2935 1 6 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.869 -1.098 19732 2936 1 6 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.040 -0.359 19732 2937 1 6 . 1 1 43 43 THR N N 43 109.752 109.752 108.123 1.629 19732 2938 1 6 . 1 1 43 43 THR HA H 43 4.256 4.256 4.357 -0.101 19732 2939 1 6 . 1 1 43 43 THR C C 43 174.467 174.467 173.716 0.751 19732 2940 1 6 . 1 1 43 43 THR CA C 43 61.657 61.657 60.981 0.676 19732 2941 1 6 . 1 1 43 43 THR CB C 43 69.450 69.450 69.451 -0.001 19732 2942 1 6 . 1 1 43 43 THR H H 43 7.671 7.671 7.776 -0.105 19732 2943 1 6 . 1 1 44 44 MET N N 44 121.568 121.568 117.921 3.647 19732 2944 1 6 . 1 1 44 44 MET HA H 44 4.363 4.363 4.180 0.183 19732 2945 1 6 . 1 1 44 44 MET C C 44 175.373 175.373 175.014 0.359 19732 2946 1 6 . 1 1 44 44 MET CA C 44 55.710 55.710 56.322 -0.612 19732 2947 1 6 . 1 1 44 44 MET CB C 44 32.989 32.989 31.836 1.153 19732 2948 1 6 . 1 1 44 44 MET H H 44 8.037 8.037 7.481 0.556 19732 2949 1 6 . 1 1 45 45 ASP N N 45 121.980 121.980 124.512 -2.532 19732 2950 1 6 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.787 -0.266 19732 2951 1 6 . 1 1 45 45 ASP C C 45 176.022 176.022 176.418 -0.396 19732 2952 1 6 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.276 1.095 19732 2953 1 6 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.123 1.024 19732 2954 1 6 . 1 1 45 45 ASP H H 45 8.230 8.230 8.678 -0.448 19732 2955 1 6 . 1 1 46 46 LEU N N 46 122.192 122.192 118.230 3.962 19732 2956 1 6 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.605 -0.461 19732 2957 1 6 . 1 1 46 46 LEU C C 46 177.018 177.018 177.613 -0.595 19732 2958 1 6 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.771 0.142 19732 2959 1 6 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.797 0.379 19732 2960 1 6 . 1 1 46 46 LEU H H 46 8.028 8.028 7.485 0.543 19732 2961 1 6 . 1 1 47 47 ASP N N 47 120.573 120.573 120.937 -0.364 19732 2962 1 6 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.488 0.037 19732 2963 1 6 . 1 1 47 47 ASP C C 47 176.370 176.370 176.435 -0.065 19732 2964 1 6 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.176 -0.969 19732 2965 1 6 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.916 0.238 19732 2966 1 6 . 1 1 47 47 ASP H H 47 8.238 8.238 8.634 -0.396 19732 2967 1 6 . 1 1 48 48 CYS N N 48 118.464 118.464 120.635 -2.171 19732 2968 1 6 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.404 0.025 19732 2969 1 6 . 1 1 48 48 CYS C C 48 174.340 174.340 174.095 0.245 19732 2970 1 6 . 1 1 48 48 CYS CA C 48 58.513 58.513 60.229 -1.716 19732 2971 1 6 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.393 0.560 19732 2972 1 6 . 1 1 48 48 CYS H H 48 8.068 8.068 7.674 0.394 19732 2973 1 6 . 1 1 49 49 SER N N 49 116.784 116.784 119.573 -2.789 19732 2974 1 6 . 1 1 49 49 SER HA H 49 4.302 4.302 4.246 0.056 19732 2975 1 6 . 1 1 49 49 SER C C 49 173.897 173.897 174.063 -0.166 19732 2976 1 6 . 1 1 49 49 SER CA C 49 58.718 58.718 56.786 1.932 19732 2977 1 6 . 1 1 49 49 SER CB C 49 63.636 63.636 63.194 0.442 19732 2978 1 6 . 1 1 49 49 SER H H 49 8.185 8.185 8.069 0.116 19732 2979 1 6 . 1 1 50 50 TYR N N 50 120.886 120.886 120.929 -0.043 19732 2980 1 6 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.385 0.127 19732 2981 1 6 . 1 1 50 50 TYR C C 50 174.818 174.818 175.979 -1.161 19732 2982 1 6 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.045 -0.559 19732 2983 1 6 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.024 0.772 19732 2984 1 6 . 1 1 50 50 TYR H H 50 7.776 7.776 7.112 0.664 19732 2985 1 6 . 1 1 51 51 GLU N N 51 122.800 122.800 119.257 3.543 19732 2986 1 6 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.850 -0.295 19732 2987 1 6 . 1 1 51 51 GLU C C 51 174.508 174.508 174.577 -0.069 19732 2988 1 6 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.202 0.726 19732 2989 1 6 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.163 -0.938 19732 2990 1 6 . 1 1 51 51 GLU H H 51 8.026 8.026 7.840 0.186 19732 2991 1 6 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.525 -0.223 19732 2992 1 6 . 1 1 52 52 PRO C C 52 176.065 176.065 177.611 -1.546 19732 2993 1 6 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.763 0.921 19732 2994 1 6 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.107 -0.544 19732 2995 1 6 . 1 1 53 53 SER N N 53 110.611 110.611 115.828 -5.217 19732 2996 1 6 . 1 1 53 53 SER HA H 53 4.302 4.302 4.398 -0.096 19732 2997 1 6 . 1 1 53 53 SER C C 53 173.858 173.858 174.231 -0.373 19732 2998 1 6 . 1 1 53 53 SER CA C 53 58.508 58.508 57.814 0.694 19732 2999 1 6 . 1 1 53 53 SER CB C 53 63.636 63.636 61.406 2.230 19732 3000 1 6 . 1 1 53 53 SER H H 53 7.934 7.934 8.661 -0.727 19732 3001 1 6 . 1 1 54 54 ASN N N 54 121.155 121.155 123.007 -1.852 19732 3002 1 6 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.684 0.194 19732 3003 1 6 . 1 1 54 54 ASN C C 54 174.167 174.167 174.804 -0.637 19732 3004 1 6 . 1 1 54 54 ASN CA C 54 51.471 51.471 53.099 -1.629 19732 3005 1 6 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.646 1.358 19732 3006 1 6 . 1 1 54 54 ASN H H 54 7.666 7.666 8.082 -0.416 19732 3007 1 6 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.051 -0.022 19732 3008 1 6 . 1 1 55 55 PRO C C 55 177.787 177.787 178.780 -0.993 19732 3009 1 6 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.371 -0.785 19732 3010 1 6 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.911 0.452 19732 3011 1 6 . 1 1 56 56 GLU N N 56 117.292 117.292 116.089 1.203 19732 3012 1 6 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.270 -0.200 19732 3013 1 6 . 1 1 56 56 GLU C C 56 179.258 179.258 179.121 0.137 19732 3014 1 6 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.092 0.380 19732 3015 1 6 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.355 -0.231 19732 3016 1 6 . 1 1 56 56 GLU H H 56 8.153 8.153 8.937 -0.784 19732 3017 1 6 . 1 1 57 57 VAL N N 57 120.730 120.730 121.124 -0.394 19732 3018 1 6 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.802 -0.234 19732 3019 1 6 . 1 1 57 57 VAL C C 57 178.039 178.039 177.713 0.326 19732 3020 1 6 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.228 -0.263 19732 3021 1 6 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.760 0.225 19732 3022 1 6 . 1 1 57 57 VAL H H 57 7.556 7.556 7.606 -0.050 19732 3023 1 6 . 1 1 58 58 ILE N N 58 119.892 119.892 120.668 -0.776 19732 3024 1 6 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.982 -0.272 19732 3025 1 6 . 1 1 58 58 ILE C C 58 178.096 178.096 178.301 -0.205 19732 3026 1 6 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.494 1.718 19732 3027 1 6 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.381 0.937 19732 3028 1 6 . 1 1 58 58 ILE H H 58 7.784 7.784 8.596 -0.812 19732 3029 1 6 . 1 1 59 59 HIS N N 59 117.644 117.644 119.619 -1.975 19732 3030 1 6 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.124 0.023 19732 3031 1 6 . 1 1 59 59 HIS C C 59 177.576 177.576 177.346 0.230 19732 3032 1 6 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.938 0.557 19732 3033 1 6 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.188 0.091 19732 3034 1 6 . 1 1 59 59 HIS H H 59 8.350 8.350 8.291 0.059 19732 3035 1 6 . 1 1 60 60 ARG N N 60 118.248 118.248 119.080 -0.832 19732 3036 1 6 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.923 0.123 19732 3037 1 6 . 1 1 60 60 ARG C C 60 179.642 179.642 178.755 0.887 19732 3038 1 6 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.742 0.204 19732 3039 1 6 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.026 0.281 19732 3040 1 6 . 1 1 60 60 ARG H H 60 7.776 7.776 7.868 -0.092 19732 3041 1 6 . 1 1 61 61 GLN N N 61 119.475 119.475 118.441 1.034 19732 3042 1 6 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.031 0.035 19732 3043 1 6 . 1 1 61 61 GLN C C 61 178.650 178.650 178.624 0.026 19732 3044 1 6 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.897 0.129 19732 3045 1 6 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.715 -0.563 19732 3046 1 6 . 1 1 61 61 GLN H H 61 8.460 8.460 7.608 0.852 19732 3047 1 6 . 1 1 62 62 LEU N N 62 117.882 117.882 119.140 -1.258 19732 3048 1 6 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.207 -0.079 19732 3049 1 6 . 1 1 62 62 LEU C C 62 179.260 179.260 179.038 0.222 19732 3050 1 6 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.578 1.417 19732 3051 1 6 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.156 0.475 19732 3052 1 6 . 1 1 62 62 LEU H H 62 8.742 8.742 8.513 0.229 19732 3053 1 6 . 1 1 63 63 ASN N N 63 117.409 117.409 118.768 -1.359 19732 3054 1 6 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.379 -0.149 19732 3055 1 6 . 1 1 63 63 ASN C C 63 178.050 178.050 177.582 0.468 19732 3056 1 6 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.617 0.048 19732 3057 1 6 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.720 -0.042 19732 3058 1 6 . 1 1 63 63 ASN H H 63 8.279 8.279 8.593 -0.314 19732 3059 1 6 . 1 1 64 64 ARG N N 64 119.753 119.753 120.156 -0.403 19732 3060 1 6 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.155 -0.113 19732 3061 1 6 . 1 1 64 64 ARG C C 64 178.914 178.914 178.594 0.320 19732 3062 1 6 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.330 0.530 19732 3063 1 6 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.763 0.006 19732 3064 1 6 . 1 1 64 64 ARG H H 64 7.784 7.784 7.897 -0.114 19732 3065 1 6 . 1 1 65 65 LEU N N 65 120.009 120.009 119.033 0.976 19732 3066 1 6 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.052 -0.113 19732 3067 1 6 . 1 1 65 65 LEU C C 65 178.481 178.481 178.728 -0.247 19732 3068 1 6 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.623 0.684 19732 3069 1 6 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.672 0.785 19732 3070 1 6 . 1 1 65 65 LEU H H 65 7.779 7.779 7.526 0.253 19732 3071 1 6 . 1 1 66 66 PHE N N 66 118.503 118.503 119.705 -1.202 19732 3072 1 6 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.577 -0.602 19732 3073 1 6 . 1 1 66 66 PHE C C 66 178.269 178.269 176.203 2.066 19732 3074 1 6 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.761 1.076 19732 3075 1 6 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.207 -0.456 19732 3076 1 6 . 1 1 66 66 PHE H H 66 8.287 8.287 7.543 0.744 19732 3077 1 6 . 1 1 67 67 ALA N N 67 119.206 119.206 120.372 -1.166 19732 3078 1 6 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.107 -0.208 19732 3079 1 6 . 1 1 67 67 ALA C C 67 178.876 178.876 179.353 -0.477 19732 3080 1 6 . 1 1 67 67 ALA CA C 67 53.658 53.658 54.118 -0.460 19732 3081 1 6 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.534 -0.493 19732 3082 1 6 . 1 1 67 67 ALA H H 67 7.902 7.902 8.001 -0.099 19732 3083 1 6 . 1 1 68 68 GLN N N 68 115.534 115.534 116.751 -1.217 19732 3084 1 6 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.252 -0.137 19732 3085 1 6 . 1 1 68 68 GLN C C 68 177.274 177.274 176.885 0.389 19732 3086 1 6 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.216 0.180 19732 3087 1 6 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.523 -0.682 19732 3088 1 6 . 1 1 68 68 GLN H H 68 7.572 7.572 7.590 -0.018 19732 3089 1 6 . 1 1 69 69 GLY N N 69 106.861 106.861 104.890 1.971 19732 3090 1 6 . 1 1 69 69 GLY C C 69 173.690 173.690 173.728 -0.038 19732 3091 1 6 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.993 -1.106 19732 3092 1 6 . 1 1 69 69 GLY H H 69 7.486 7.486 7.630 -0.144 19732 3093 1 6 . 1 1 70 70 MET N N 70 119.355 119.355 120.138 -0.783 19732 3094 1 6 . 1 1 70 70 MET HA H 70 4.117 4.117 4.347 -0.230 19732 3095 1 6 . 1 1 70 70 MET C C 70 177.743 177.743 177.279 0.464 19732 3096 1 6 . 1 1 70 70 MET CA C 70 57.396 57.396 57.971 -0.575 19732 3097 1 6 . 1 1 70 70 MET CB C 70 30.638 30.638 32.048 -1.410 19732 3098 1 6 . 1 1 70 70 MET H H 70 8.245 8.245 8.472 -0.227 19732 3099 1 6 . 1 1 71 71 ALA N N 71 120.691 120.691 122.234 -1.543 19732 3100 1 6 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.193 -0.130 19732 3101 1 6 . 1 1 71 71 ALA C C 71 181.027 181.027 179.478 1.549 19732 3102 1 6 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.852 0.789 19732 3103 1 6 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.123 -0.558 19732 3104 1 6 . 1 1 71 71 ALA H H 71 8.624 8.624 8.428 0.196 19732 3105 1 6 . 1 1 72 72 THR N N 72 116.354 116.354 116.549 -0.195 19732 3106 1 6 . 1 1 72 72 THR HA H 72 3.825 3.825 4.095 -0.270 19732 3107 1 6 . 1 1 72 72 THR C C 72 174.861 174.861 175.802 -0.941 19732 3108 1 6 . 1 1 72 72 THR CA C 72 66.992 66.992 67.718 -0.726 19732 3109 1 6 . 1 1 72 72 THR CB C 72 68.355 68.355 68.529 -0.174 19732 3110 1 6 . 1 1 72 72 THR H H 72 7.525 7.525 8.045 -0.520 19732 3111 1 6 . 1 1 73 73 TRP N N 73 122.292 122.292 122.945 -0.653 19732 3112 1 6 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.133 0.198 19732 3113 1 6 . 1 1 73 73 TRP C C 73 176.757 176.757 177.435 -0.678 19732 3114 1 6 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.268 -0.709 19732 3115 1 6 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.727 0.629 19732 3116 1 6 . 1 1 73 73 TRP H H 73 8.090 8.090 8.514 -0.424 19732 3117 1 6 . 1 1 74 74 LYS N N 74 115.768 115.768 117.557 -1.789 19732 3118 1 6 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.921 -0.182 19732 3119 1 6 . 1 1 74 74 LYS C C 74 178.957 178.957 179.381 -0.424 19732 3120 1 6 . 1 1 74 74 LYS CA C 74 60.433 60.433 59.998 0.435 19732 3121 1 6 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.198 0.124 19732 3122 1 6 . 1 1 74 74 LYS H H 74 9.001 9.001 7.984 1.017 19732 3123 1 6 . 1 1 75 75 SER N N 75 115.378 115.378 116.014 -0.636 19732 3124 1 6 . 1 1 75 75 SER HA H 75 4.211 4.211 4.303 -0.092 19732 3125 1 6 . 1 1 75 75 SER C C 75 175.465 175.465 176.002 -0.537 19732 3126 1 6 . 1 1 75 75 SER CA C 75 61.999 61.999 61.859 0.140 19732 3127 1 6 . 1 1 75 75 SER CB C 75 63.160 63.160 63.224 -0.064 19732 3128 1 6 . 1 1 75 75 SER H H 75 7.604 7.604 8.088 -0.484 19732 3129 1 6 . 1 1 76 76 PHE N N 76 121.707 121.707 123.812 -2.105 19732 3130 1 6 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.110 -0.094 19732 3131 1 6 . 1 1 76 76 PHE C C 76 175.983 175.983 176.718 -0.735 19732 3132 1 6 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.148 0.334 19732 3133 1 6 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.549 -0.270 19732 3134 1 6 . 1 1 76 76 PHE H H 76 8.200 8.200 8.272 -0.072 19732 3135 1 6 . 1 1 77 77 ILE N N 77 117.448 117.448 117.668 -0.220 19732 3136 1 6 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.186 0.145 19732 3137 1 6 . 1 1 77 77 ILE C C 77 177.919 177.919 178.199 -0.280 19732 3138 1 6 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.897 -3.403 19732 3139 1 6 . 1 1 77 77 ILE CB C 77 34.722 34.722 35.979 -1.257 19732 3140 1 6 . 1 1 77 77 ILE H H 77 8.193 8.193 8.526 -0.333 19732 3141 1 6 . 1 1 78 78 ASN N N 78 119.831 119.831 118.766 1.065 19732 3142 1 6 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.430 -0.212 19732 3143 1 6 . 1 1 78 78 ASN C C 78 177.228 177.228 177.148 0.080 19732 3144 1 6 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.716 1.075 19732 3145 1 6 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.331 0.973 19732 3146 1 6 . 1 1 78 78 ASN H H 78 8.224 8.224 7.834 0.390 19732 3147 1 6 . 1 1 79 79 ASP N N 79 119.402 119.402 121.117 -1.715 19732 3148 1 6 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.567 -0.078 19732 3149 1 6 . 1 1 79 79 ASP C C 79 177.600 177.600 178.408 -0.808 19732 3150 1 6 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.256 0.319 19732 3151 1 6 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.859 -0.942 19732 3152 1 6 . 1 1 79 79 ASP H H 79 8.028 8.028 7.365 0.663 19732 3153 1 6 . 1 1 80 80 LEU N N 80 122.293 122.293 122.149 0.144 19732 3154 1 6 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.872 -0.384 19732 3155 1 6 . 1 1 80 80 LEU C C 80 178.561 178.561 178.143 0.418 19732 3156 1 6 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.300 1.032 19732 3157 1 6 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.225 1.155 19732 3158 1 6 . 1 1 80 80 LEU H H 80 8.491 8.491 8.308 0.183 19732 3159 1 6 . 1 1 81 81 CYS N N 81 114.479 114.479 114.836 -0.357 19732 3160 1 6 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.094 -0.163 19732 3161 1 6 . 1 1 81 81 CYS C C 81 176.754 176.754 177.349 -0.595 19732 3162 1 6 . 1 1 81 81 CYS CA C 81 63.543 63.543 61.629 1.914 19732 3163 1 6 . 1 1 81 81 CYS CB C 81 26.657 26.657 25.751 0.906 19732 3164 1 6 . 1 1 81 81 CYS H H 81 8.169 8.169 8.305 -0.136 19732 3165 1 6 . 1 1 82 82 PHE N N 82 115.964 115.964 122.407 -6.443 19732 3166 1 6 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.284 0.038 19732 3167 1 6 . 1 1 82 82 PHE C C 82 178.485 178.485 176.741 1.744 19732 3168 1 6 . 1 1 82 82 PHE CA C 82 60.876 60.876 60.856 0.020 19732 3169 1 6 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.570 0.261 19732 3170 1 6 . 1 1 82 82 PHE H H 82 7.863 7.863 7.406 0.457 19732 3171 1 6 . 1 1 83 83 GLU N N 83 116.314 116.314 117.568 -1.254 19732 3172 1 6 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.054 -0.009 19732 3173 1 6 . 1 1 83 83 GLU C C 83 177.877 177.877 178.317 -0.440 19732 3174 1 6 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.632 0.113 19732 3175 1 6 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.363 -0.086 19732 3176 1 6 . 1 1 83 83 GLU H H 83 9.049 9.049 8.608 0.441 19732 3177 1 6 . 1 1 84 84 LEU N N 84 116.042 116.042 117.921 -1.879 19732 3178 1 6 . 1 1 84 84 LEU HA H 84 4.237 4.237 3.735 0.502 19732 3179 1 6 . 1 1 84 84 LEU C C 84 175.868 175.868 177.508 -1.640 19732 3180 1 6 . 1 1 84 84 LEU CA C 84 53.657 53.657 56.544 -2.887 19732 3181 1 6 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.143 -2.039 19732 3182 1 6 . 1 1 84 84 LEU H H 84 7.713 7.713 7.465 0.248 19732 3183 1 6 . 1 1 85 85 ASP N N 85 116.940 116.940 115.026 1.914 19732 3184 1 6 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.528 -0.278 19732 3185 1 6 . 1 1 85 85 ASP C C 85 174.424 174.424 174.660 -0.236 19732 3186 1 6 . 1 1 85 85 ASP CA C 85 54.685 54.685 54.204 0.481 19732 3187 1 6 . 1 1 85 85 ASP CB C 85 38.821 38.821 42.499 -3.678 19732 3188 1 6 . 1 1 85 85 ASP H H 85 7.164 7.164 7.435 -0.271 19732 3189 1 6 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.379 0.027 19732 3190 1 6 . 1 1 87 87 PRO C C 87 177.572 177.572 176.877 0.695 19732 3191 1 6 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.695 -0.536 19732 3192 1 6 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.970 0.290 19732 3193 1 6 . 1 1 88 88 LEU N N 88 122.410 122.410 119.443 2.967 19732 3194 1 6 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.496 -0.565 19732 3195 1 6 . 1 1 88 88 LEU C C 88 179.214 179.214 177.015 2.199 19732 3196 1 6 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.447 1.834 19732 3197 1 6 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.561 -0.481 19732 3198 1 6 . 1 1 88 88 LEU H H 88 8.271 8.271 8.033 0.238 19732 3199 1 6 . 1 1 91 91 GLU N N 91 121.224 121.224 126.723 -5.499 19732 3200 1 6 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.016 -0.479 19732 3201 1 6 . 1 1 91 91 GLU C C 91 176.926 176.926 178.510 -1.584 19732 3202 1 6 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.861 1.218 19732 3203 1 6 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.778 -0.293 19732 3204 1 6 . 1 1 91 91 GLU H H 91 7.775 7.775 8.981 -1.206 19732 3205 1 6 . 1 1 92 92 ILE N N 92 115.836 115.836 119.621 -3.785 19732 3206 1 6 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.110 -0.200 19732 3207 1 6 . 1 1 92 92 ILE C C 92 177.704 177.704 175.464 2.240 19732 3208 1 6 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.792 1.238 19732 3209 1 6 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.554 -0.103 19732 3210 1 6 . 1 1 92 92 ILE H H 92 8.259 8.259 7.877 0.383 19732 3211 1 6 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.293 -0.176 19732 3212 1 6 . 1 1 93 93 PRO C C 93 178.653 178.653 177.751 0.902 19732 3213 1 6 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.128 -0.125 19732 3214 1 6 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.345 -0.209 19732 3215 1 6 . 1 1 94 94 LEU N N 94 114.952 114.952 114.983 -0.031 19732 3216 1 6 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.364 -0.238 19732 3217 1 6 . 1 1 94 94 LEU C C 94 180.119 180.119 179.509 0.610 19732 3218 1 6 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.140 0.645 19732 3219 1 6 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.625 1.135 19732 3220 1 6 . 1 1 94 94 LEU H H 94 7.657 7.657 7.634 0.023 19732 3221 1 6 . 1 1 95 95 VAL N N 95 119.986 119.986 120.073 -0.087 19732 3222 1 6 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.401 -0.393 19732 3223 1 6 . 1 1 95 95 VAL C C 95 177.559 177.559 177.853 -0.294 19732 3224 1 6 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.339 0.327 19732 3225 1 6 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.637 0.078 19732 3226 1 6 . 1 1 95 95 VAL H H 95 8.873 8.873 8.121 0.752 19732 3227 1 6 . 1 1 96 96 SER N N 96 111.863 111.863 115.395 -3.532 19732 3228 1 6 . 1 1 96 96 SER HA H 96 4.598 4.598 4.322 0.276 19732 3229 1 6 . 1 1 96 96 SER C C 96 175.113 175.113 175.301 -0.188 19732 3230 1 6 . 1 1 96 96 SER CA C 96 59.163 59.163 60.917 -1.754 19732 3231 1 6 . 1 1 96 96 SER CB C 96 63.552 63.552 62.782 0.770 19732 3232 1 6 . 1 1 96 96 SER H H 96 7.823 7.823 8.673 -0.850 19732 3233 1 6 . 1 1 97 97 ILE N N 97 120.300 120.300 121.054 -0.754 19732 3234 1 6 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.056 -0.237 19732 3235 1 6 . 1 1 97 97 ILE C C 97 174.601 174.601 175.460 -0.859 19732 3236 1 6 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.413 1.391 19732 3237 1 6 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.871 0.188 19732 3238 1 6 . 1 1 97 97 ILE H H 97 7.014 7.014 7.294 -0.280 19732 3239 1 6 . 1 1 98 98 TRP N N 98 120.222 120.222 120.374 -0.152 19732 3240 1 6 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.406 -0.344 19732 3241 1 6 . 1 1 98 98 TRP C C 98 176.502 176.502 173.276 3.226 19732 3242 1 6 . 1 1 98 98 TRP CA C 98 57.790 57.790 56.573 1.217 19732 3243 1 6 . 1 1 98 98 TRP CB C 98 28.963 28.963 31.147 -2.184 19732 3244 1 6 . 1 1 98 98 TRP H H 98 7.651 7.651 7.134 0.517 19732 3245 1 6 . 1 1 99 99 GLY N N 99 109.003 109.003 112.976 -3.973 19732 3246 1 6 . 1 1 99 99 GLY C C 99 170.846 170.846 171.701 -0.855 19732 3247 1 6 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.940 -0.303 19732 3248 1 6 . 1 1 99 99 GLY H H 99 7.240 7.240 7.628 -0.388 19732 3249 1 6 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.281 0.018 19732 3250 1 6 . 1 1 100 100 PRO C C 100 176.200 176.200 175.903 0.297 19732 3251 1 6 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.649 0.355 19732 3252 1 6 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.853 0.955 19732 3253 1 7 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.424 -0.014 19732 3254 1 7 . 1 1 2 2 PRO C C 2 176.929 176.929 176.380 0.549 19732 3255 1 7 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.634 -0.493 19732 3256 1 7 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.468 0.766 19732 3257 1 7 . 1 1 3 3 LEU N N 3 121.746 121.746 124.734 -2.988 19732 3258 1 7 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.397 -0.120 19732 3259 1 7 . 1 1 3 3 LEU C C 3 177.789 177.789 177.838 -0.049 19732 3260 1 7 . 1 1 3 3 LEU CA C 3 55.367 55.367 55.305 0.062 19732 3261 1 7 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.409 -0.252 19732 3262 1 7 . 1 1 3 3 LEU H H 3 8.420 8.420 8.898 -0.478 19732 3263 1 7 . 1 1 4 4 GLY N N 4 109.400 109.400 107.737 1.663 19732 3264 1 7 . 1 1 4 4 GLY C C 4 174.208 174.208 174.544 -0.336 19732 3265 1 7 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.717 0.538 19732 3266 1 7 . 1 1 4 4 GLY H H 4 8.326 8.326 8.046 0.280 19732 3267 1 7 . 1 1 5 5 SER N N 5 115.339 115.339 118.830 -3.491 19732 3268 1 7 . 1 1 5 5 SER HA H 5 4.363 4.363 4.557 -0.194 19732 3269 1 7 . 1 1 5 5 SER C C 5 174.549 174.549 174.430 0.119 19732 3270 1 7 . 1 1 5 5 SER CA C 5 58.443 58.443 58.178 0.265 19732 3271 1 7 . 1 1 5 5 SER CB C 5 63.773 63.773 63.760 0.013 19732 3272 1 7 . 1 1 5 5 SER H H 5 8.098 8.098 8.301 -0.203 19732 3273 1 7 . 1 1 6 6 MET N N 6 121.404 121.404 125.018 -3.614 19732 3274 1 7 . 1 1 6 6 MET HA H 6 4.427 4.427 4.322 0.105 19732 3275 1 7 . 1 1 6 6 MET C C 6 175.724 175.724 176.105 -0.381 19732 3276 1 7 . 1 1 6 6 MET CA C 6 55.612 55.612 56.259 -0.647 19732 3277 1 7 . 1 1 6 6 MET CB C 6 32.874 32.874 32.766 0.108 19732 3278 1 7 . 1 1 6 6 MET H H 6 8.326 8.326 8.962 -0.636 19732 3279 1 7 . 1 1 7 7 ASP N N 7 120.769 120.769 119.136 1.633 19732 3280 1 7 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.791 -0.274 19732 3281 1 7 . 1 1 7 7 ASP C C 7 176.111 176.111 176.874 -0.763 19732 3282 1 7 . 1 1 7 7 ASP CA C 7 54.136 54.136 55.426 -1.290 19732 3283 1 7 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.777 1.508 19732 3284 1 7 . 1 1 7 7 ASP H H 7 8.114 8.114 8.625 -0.511 19732 3285 1 7 . 1 1 8 8 ALA N N 8 123.543 123.543 121.932 1.611 19732 3286 1 7 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.221 -0.162 19732 3287 1 7 . 1 1 8 8 ALA C C 8 178.788 178.788 179.034 -0.246 19732 3288 1 7 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.275 -0.344 19732 3289 1 7 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.459 0.468 19732 3290 1 7 . 1 1 8 8 ALA H H 8 8.248 8.248 7.562 0.686 19732 3291 1 7 . 1 1 9 9 GLU N N 9 118.034 118.034 119.436 -1.402 19732 3292 1 7 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.077 0.049 19732 3293 1 7 . 1 1 9 9 GLU C C 9 177.485 177.485 178.965 -1.480 19732 3294 1 7 . 1 1 9 9 GLU CA C 9 57.840 57.840 58.898 -1.058 19732 3295 1 7 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.233 1.369 19732 3296 1 7 . 1 1 9 9 GLU H H 9 8.255 8.255 8.001 0.254 19732 3297 1 7 . 1 1 10 10 SER N N 10 115.260 115.260 116.092 -0.832 19732 3298 1 7 . 1 1 10 10 SER HA H 10 4.232 4.232 4.273 -0.041 19732 3299 1 7 . 1 1 10 10 SER C C 10 175.552 175.552 175.833 -0.281 19732 3300 1 7 . 1 1 10 10 SER CA C 10 60.015 60.015 61.220 -1.205 19732 3301 1 7 . 1 1 10 10 SER CB C 10 63.225 63.225 63.086 0.139 19732 3302 1 7 . 1 1 10 10 SER H H 10 7.992 7.992 7.783 0.209 19732 3303 1 7 . 1 1 11 11 ILE N N 11 121.199 121.199 119.473 1.726 19732 3304 1 7 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.050 -0.160 19732 3305 1 7 . 1 1 11 11 ILE C C 11 176.411 176.411 177.008 -0.597 19732 3306 1 7 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.931 -0.181 19732 3307 1 7 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.222 0.050 19732 3308 1 7 . 1 1 11 11 ILE H H 11 7.729 7.729 7.516 0.213 19732 3309 1 7 . 1 1 12 12 ARG N N 12 121.248 121.248 117.987 3.261 19732 3310 1 7 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.539 -0.426 19732 3311 1 7 . 1 1 12 12 ARG C C 12 176.970 176.970 176.196 0.774 19732 3312 1 7 . 1 1 12 12 ARG CA C 12 57.077 57.077 54.331 2.746 19732 3313 1 7 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.455 0.041 19732 3314 1 7 . 1 1 12 12 ARG H H 12 7.853 7.853 7.409 0.444 19732 3315 1 7 . 1 1 13 13 LEU N N 13 120.701 120.701 121.667 -0.966 19732 3316 1 7 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.101 0.117 19732 3317 1 7 . 1 1 13 13 LEU C C 13 177.620 177.620 175.962 1.658 19732 3318 1 7 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.904 -0.607 19732 3319 1 7 . 1 1 13 13 LEU CB C 13 42.174 42.174 42.238 -0.064 19732 3320 1 7 . 1 1 13 13 LEU H H 13 8.020 8.020 7.588 0.432 19732 3321 1 7 . 1 1 16 16 GLU N N 16 120.417 120.417 120.090 0.327 19732 3322 1 7 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.210 -0.085 19732 3323 1 7 . 1 1 16 16 GLU C C 16 178.929 178.929 178.918 0.011 19732 3324 1 7 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.028 -0.423 19732 3325 1 7 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.216 0.175 19732 3326 1 7 . 1 1 16 16 GLU H H 16 8.465 8.465 8.929 -0.464 19732 3327 1 7 . 1 1 17 17 ASN N N 17 118.855 118.855 119.655 -0.800 19732 3328 1 7 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.637 -0.018 19732 3329 1 7 . 1 1 17 17 ASN C C 17 177.835 177.835 178.084 -0.249 19732 3330 1 7 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.493 -0.955 19732 3331 1 7 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.334 -0.123 19732 3332 1 7 . 1 1 17 17 ASN H H 17 8.428 8.428 7.911 0.517 19732 3333 1 7 . 1 1 18 18 LEU N N 18 123.972 123.972 121.357 2.615 19732 3334 1 7 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.255 -0.035 19732 3335 1 7 . 1 1 18 18 LEU C C 18 178.248 178.248 178.463 -0.215 19732 3336 1 7 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.954 -0.069 19732 3337 1 7 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.694 0.003 19732 3338 1 7 . 1 1 18 18 LEU H H 18 8.208 8.208 8.514 -0.306 19732 3339 1 7 . 1 1 19 19 TRP N N 19 119.362 119.362 121.691 -2.329 19732 3340 1 7 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.143 0.023 19732 3341 1 7 . 1 1 19 19 TRP C C 19 177.617 177.617 177.772 -0.155 19732 3342 1 7 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.623 0.273 19732 3343 1 7 . 1 1 19 19 TRP CB C 19 29.427 29.427 30.028 -0.601 19732 3344 1 7 . 1 1 19 19 TRP H H 19 8.316 8.316 8.715 -0.399 19732 3345 1 7 . 1 1 20 20 ALA N N 20 118.581 118.581 121.022 -2.441 19732 3346 1 7 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.850 0.200 19732 3347 1 7 . 1 1 20 20 ALA C C 20 180.422 180.422 179.286 1.136 19732 3348 1 7 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.171 -0.007 19732 3349 1 7 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.878 0.162 19732 3350 1 7 . 1 1 20 20 ALA H H 20 7.957 7.957 8.616 -0.659 19732 3351 1 7 . 1 1 21 21 TRP N N 21 119.753 119.753 120.725 -0.972 19732 3352 1 7 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.281 -0.388 19732 3353 1 7 . 1 1 21 21 TRP C C 21 177.494 177.494 177.663 -0.169 19732 3354 1 7 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.724 2.374 19732 3355 1 7 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.890 -1.247 19732 3356 1 7 . 1 1 21 21 TRP H H 21 8.043 8.043 7.776 0.267 19732 3357 1 7 . 1 1 22 22 LEU N N 22 122.136 122.136 121.304 0.832 19732 3358 1 7 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.532 -0.093 19732 3359 1 7 . 1 1 22 22 LEU C C 22 178.075 178.075 178.465 -0.390 19732 3360 1 7 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.956 -0.201 19732 3361 1 7 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.703 0.267 19732 3362 1 7 . 1 1 22 22 LEU H H 22 8.553 8.553 8.426 0.127 19732 3363 1 7 . 1 1 23 23 VAL N N 23 118.034 118.034 118.605 -0.571 19732 3364 1 7 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.211 0.102 19732 3365 1 7 . 1 1 23 23 VAL C C 23 178.401 178.401 177.784 0.617 19732 3366 1 7 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.868 0.256 19732 3367 1 7 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.175 0.125 19732 3368 1 7 . 1 1 23 23 VAL H H 23 8.341 8.341 8.268 0.073 19732 3369 1 7 . 1 1 24 24 ARG N N 24 120.377 120.377 119.043 1.334 19732 3370 1 7 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.925 -0.111 19732 3371 1 7 . 1 1 24 24 ARG C C 24 179.205 179.205 178.491 0.714 19732 3372 1 7 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.418 1.686 19732 3373 1 7 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.636 0.400 19732 3374 1 7 . 1 1 24 24 ARG H H 24 7.856 7.856 7.600 0.256 19732 3375 1 7 . 1 1 25 25 LEU N N 25 121.668 121.668 120.434 1.234 19732 3376 1 7 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.873 -0.210 19732 3377 1 7 . 1 1 25 25 LEU C C 25 179.943 179.943 179.191 0.752 19732 3378 1 7 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.454 0.594 19732 3379 1 7 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.869 0.159 19732 3380 1 7 . 1 1 25 25 LEU H H 25 7.838 7.838 8.008 -0.170 19732 3381 1 7 . 1 1 26 26 LEU N N 26 118.308 118.308 118.079 0.229 19732 3382 1 7 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.053 -0.142 19732 3383 1 7 . 1 1 26 26 LEU C C 26 179.471 179.471 179.484 -0.013 19732 3384 1 7 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.326 0.147 19732 3385 1 7 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.815 0.214 19732 3386 1 7 . 1 1 26 26 LEU H H 26 8.247 8.247 8.531 -0.284 19732 3387 1 7 . 1 1 27 27 SER N N 27 115.768 115.768 114.377 1.391 19732 3388 1 7 . 1 1 27 27 SER HA H 27 4.020 4.020 4.239 -0.219 19732 3389 1 7 . 1 1 27 27 SER C C 27 174.990 174.990 175.189 -0.199 19732 3390 1 7 . 1 1 27 27 SER CA C 27 61.755 61.755 60.589 1.167 19732 3391 1 7 . 1 1 27 27 SER CB C 27 62.755 62.755 63.108 -0.353 19732 3392 1 7 . 1 1 27 27 SER H H 27 8.436 8.436 8.010 0.426 19732 3393 1 7 . 1 1 28 28 LYS N N 28 117.644 117.644 117.687 -0.043 19732 3394 1 7 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.275 0.039 19732 3395 1 7 . 1 1 28 28 LYS C C 28 175.979 175.979 176.366 -0.387 19732 3396 1 7 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.458 -0.271 19732 3397 1 7 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.646 0.145 19732 3398 1 7 . 1 1 28 28 LYS H H 28 7.014 7.014 7.342 -0.328 19732 3399 1 7 . 1 1 29 29 ASN N N 29 118.347 118.347 117.243 1.104 19732 3400 1 7 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.273 0.009 19732 3401 1 7 . 1 1 29 29 ASN C C 29 171.835 171.835 173.750 -1.915 19732 3402 1 7 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.491 0.834 19732 3403 1 7 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.990 1.636 19732 3404 1 7 . 1 1 29 29 ASN H H 29 7.611 7.611 7.700 -0.089 19732 3405 1 7 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.456 -0.005 19732 3406 1 7 . 1 1 30 30 PRO C C 30 179.560 179.560 178.401 1.159 19732 3407 1 7 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.947 0.922 19732 3408 1 7 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.082 -0.680 19732 3409 1 7 . 1 1 31 31 GLU N N 31 119.636 119.636 118.770 0.866 19732 3410 1 7 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.160 -0.034 19732 3411 1 7 . 1 1 31 31 GLU C C 31 179.253 179.253 178.605 0.648 19732 3412 1 7 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.410 0.262 19732 3413 1 7 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.130 -0.765 19732 3414 1 7 . 1 1 31 31 GLU H H 31 8.593 8.593 8.684 -0.091 19732 3415 1 7 . 1 1 32 32 TRP N N 32 122.293 122.293 122.063 0.230 19732 3416 1 7 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.401 -0.368 19732 3417 1 7 . 1 1 32 32 TRP C C 32 178.055 178.055 177.852 0.203 19732 3418 1 7 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.022 0.834 19732 3419 1 7 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.635 -0.519 19732 3420 1 7 . 1 1 32 32 TRP H H 32 7.933 7.933 7.545 0.388 19732 3421 1 7 . 1 1 33 33 LEU N N 33 117.409 117.409 121.572 -4.163 19732 3422 1 7 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.656 0.234 19732 3423 1 7 . 1 1 33 33 LEU C C 33 177.934 177.934 178.572 -0.638 19732 3424 1 7 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.989 0.190 19732 3425 1 7 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.719 -0.161 19732 3426 1 7 . 1 1 33 33 LEU H H 33 8.012 8.012 8.315 -0.303 19732 3427 1 7 . 1 1 34 34 SER N N 34 113.257 113.257 115.134 -1.877 19732 3428 1 7 . 1 1 34 34 SER HA H 34 3.975 3.975 3.977 -0.002 19732 3429 1 7 . 1 1 34 34 SER C C 34 176.363 176.363 176.661 -0.298 19732 3430 1 7 . 1 1 34 34 SER CA C 34 62.194 62.194 61.895 0.299 19732 3431 1 7 . 1 1 34 34 SER CB C 34 62.739 62.739 62.413 0.325 19732 3432 1 7 . 1 1 34 34 SER H H 34 8.335 8.335 8.412 -0.077 19732 3433 1 7 . 1 1 35 35 ALA N N 35 121.511 121.511 124.761 -3.250 19732 3434 1 7 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.986 -0.029 19732 3435 1 7 . 1 1 35 35 ALA C C 35 180.728 180.728 179.783 0.945 19732 3436 1 7 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.979 -0.090 19732 3437 1 7 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.198 -0.423 19732 3438 1 7 . 1 1 35 35 ALA H H 35 7.391 7.391 7.613 -0.222 19732 3439 1 7 . 1 1 36 36 LYS N N 36 118.386 118.386 117.721 0.665 19732 3440 1 7 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.095 -0.261 19732 3441 1 7 . 1 1 36 36 LYS C C 36 179.578 179.578 179.221 0.357 19732 3442 1 7 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.797 -1.200 19732 3443 1 7 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.883 -1.400 19732 3444 1 7 . 1 1 36 36 LYS H H 36 7.823 7.823 7.308 0.515 19732 3445 1 7 . 1 1 37 37 LEU N N 37 119.480 119.480 120.123 -0.643 19732 3446 1 7 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.082 -0.192 19732 3447 1 7 . 1 1 37 37 LEU C C 37 178.529 178.529 178.835 -0.306 19732 3448 1 7 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.425 0.222 19732 3449 1 7 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.391 -0.243 19732 3450 1 7 . 1 1 37 37 LEU H H 37 8.725 8.725 8.623 0.102 19732 3451 1 7 . 1 1 38 38 ARG N N 38 115.612 115.612 118.170 -2.558 19732 3452 1 7 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.060 -0.063 19732 3453 1 7 . 1 1 38 38 ARG C C 38 177.661 177.661 177.789 -0.128 19732 3454 1 7 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.174 -0.662 19732 3455 1 7 . 1 1 38 38 ARG CB C 38 29.935 29.935 30.067 -0.132 19732 3456 1 7 . 1 1 38 38 ARG H H 38 7.446 7.446 7.951 -0.505 19732 3457 1 7 . 1 1 39 39 SER N N 39 111.883 111.883 113.685 -1.802 19732 3458 1 7 . 1 1 39 39 SER HA H 39 4.160 4.160 4.178 -0.018 19732 3459 1 7 . 1 1 39 39 SER C C 39 175.401 175.401 175.240 0.161 19732 3460 1 7 . 1 1 39 39 SER CA C 39 60.359 60.359 60.663 -0.304 19732 3461 1 7 . 1 1 39 39 SER CB C 39 63.228 63.228 62.839 0.389 19732 3462 1 7 . 1 1 39 39 SER H H 39 7.353 7.353 7.372 -0.019 19732 3463 1 7 . 1 1 40 40 PHE N N 40 117.136 117.136 118.756 -1.620 19732 3464 1 7 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.450 0.164 19732 3465 1 7 . 1 1 40 40 PHE C C 40 175.852 175.852 175.935 -0.083 19732 3466 1 7 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.409 -0.699 19732 3467 1 7 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.716 1.978 19732 3468 1 7 . 1 1 40 40 PHE H H 40 7.792 7.792 7.600 0.192 19732 3469 1 7 . 1 1 41 41 LEU N N 41 119.050 119.050 119.081 -0.031 19732 3470 1 7 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.760 0.117 19732 3471 1 7 . 1 1 41 41 LEU C C 41 174.510 174.510 175.196 -0.686 19732 3472 1 7 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.512 -0.420 19732 3473 1 7 . 1 1 41 41 LEU CB C 41 42.037 42.037 42.252 -0.215 19732 3474 1 7 . 1 1 41 41 LEU H H 41 8.114 8.114 8.162 -0.048 19732 3475 1 7 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.564 -0.262 19732 3476 1 7 . 1 1 42 42 PRO C C 42 177.620 177.620 176.342 1.278 19732 3477 1 7 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.182 -0.411 19732 3478 1 7 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.294 -0.613 19732 3479 1 7 . 1 1 43 43 THR N N 43 109.752 109.752 108.499 1.253 19732 3480 1 7 . 1 1 43 43 THR HA H 43 4.256 4.256 4.457 -0.201 19732 3481 1 7 . 1 1 43 43 THR C C 43 174.467 174.467 174.456 0.011 19732 3482 1 7 . 1 1 43 43 THR CA C 43 61.657 61.657 59.297 2.360 19732 3483 1 7 . 1 1 43 43 THR CB C 43 69.450 69.450 67.889 1.561 19732 3484 1 7 . 1 1 43 43 THR H H 43 7.671 7.671 7.804 -0.133 19732 3485 1 7 . 1 1 44 44 MET N N 44 121.568 121.568 120.172 1.396 19732 3486 1 7 . 1 1 44 44 MET HA H 44 4.363 4.363 4.403 -0.040 19732 3487 1 7 . 1 1 44 44 MET C C 44 175.373 175.373 175.354 0.019 19732 3488 1 7 . 1 1 44 44 MET CA C 44 55.710 55.710 54.927 0.783 19732 3489 1 7 . 1 1 44 44 MET CB C 44 32.989 32.989 31.042 1.947 19732 3490 1 7 . 1 1 44 44 MET H H 44 8.037 8.037 7.663 0.374 19732 3491 1 7 . 1 1 45 45 ASP N N 45 121.980 121.980 126.800 -4.820 19732 3492 1 7 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.600 -0.079 19732 3493 1 7 . 1 1 45 45 ASP C C 45 176.022 176.022 176.202 -0.180 19732 3494 1 7 . 1 1 45 45 ASP CA C 45 54.371 54.371 54.839 -0.468 19732 3495 1 7 . 1 1 45 45 ASP CB C 45 41.147 41.147 38.948 2.199 19732 3496 1 7 . 1 1 45 45 ASP H H 45 8.230 8.230 8.327 -0.097 19732 3497 1 7 . 1 1 46 46 LEU N N 46 122.192 122.192 118.063 4.129 19732 3498 1 7 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.501 -0.357 19732 3499 1 7 . 1 1 46 46 LEU C C 46 177.018 177.018 177.547 -0.529 19732 3500 1 7 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.593 0.320 19732 3501 1 7 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.272 -0.096 19732 3502 1 7 . 1 1 46 46 LEU H H 46 8.028 8.028 7.621 0.407 19732 3503 1 7 . 1 1 47 47 ASP N N 47 120.573 120.573 118.062 2.511 19732 3504 1 7 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.625 -0.100 19732 3505 1 7 . 1 1 47 47 ASP C C 47 176.370 176.370 176.568 -0.198 19732 3506 1 7 . 1 1 47 47 ASP CA C 47 54.207 54.207 53.665 0.542 19732 3507 1 7 . 1 1 47 47 ASP CB C 47 41.154 41.154 41.440 -0.286 19732 3508 1 7 . 1 1 47 47 ASP H H 47 8.238 8.238 8.384 -0.146 19732 3509 1 7 . 1 1 48 48 CYS N N 48 118.464 118.464 120.832 -2.368 19732 3510 1 7 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.439 -0.010 19732 3511 1 7 . 1 1 48 48 CYS C C 48 174.340 174.340 174.274 0.066 19732 3512 1 7 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.498 0.015 19732 3513 1 7 . 1 1 48 48 CYS CB C 48 27.953 27.953 25.756 2.197 19732 3514 1 7 . 1 1 48 48 CYS H H 48 8.068 8.068 8.017 0.051 19732 3515 1 7 . 1 1 49 49 SER N N 49 116.784 116.784 119.751 -2.967 19732 3516 1 7 . 1 1 49 49 SER HA H 49 4.302 4.302 4.533 -0.231 19732 3517 1 7 . 1 1 49 49 SER C C 49 173.897 173.897 174.716 -0.819 19732 3518 1 7 . 1 1 49 49 SER CA C 49 58.718 58.718 56.640 2.078 19732 3519 1 7 . 1 1 49 49 SER CB C 49 63.636 63.636 62.209 1.427 19732 3520 1 7 . 1 1 49 49 SER H H 49 8.185 8.185 8.200 -0.015 19732 3521 1 7 . 1 1 50 50 TYR N N 50 120.886 120.886 123.471 -2.585 19732 3522 1 7 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.705 -0.193 19732 3523 1 7 . 1 1 50 50 TYR C C 50 174.818 174.818 176.065 -1.247 19732 3524 1 7 . 1 1 50 50 TYR CA C 50 57.486 57.486 57.772 -0.286 19732 3525 1 7 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.446 0.350 19732 3526 1 7 . 1 1 50 50 TYR H H 50 7.776 7.776 7.497 0.279 19732 3527 1 7 . 1 1 51 51 GLU N N 51 122.800 122.800 118.708 4.092 19732 3528 1 7 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.875 -0.320 19732 3529 1 7 . 1 1 51 51 GLU C C 51 174.508 174.508 174.362 0.146 19732 3530 1 7 . 1 1 51 51 GLU CA C 51 53.928 53.928 52.822 1.106 19732 3531 1 7 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.796 -1.571 19732 3532 1 7 . 1 1 51 51 GLU H H 51 8.026 8.026 7.803 0.223 19732 3533 1 7 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.537 -0.235 19732 3534 1 7 . 1 1 52 52 PRO C C 52 176.065 176.065 177.794 -1.729 19732 3535 1 7 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.677 1.007 19732 3536 1 7 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.061 -0.498 19732 3537 1 7 . 1 1 53 53 SER N N 53 110.611 110.611 116.125 -5.514 19732 3538 1 7 . 1 1 53 53 SER HA H 53 4.302 4.302 4.364 -0.062 19732 3539 1 7 . 1 1 53 53 SER C C 53 173.858 173.858 173.953 -0.095 19732 3540 1 7 . 1 1 53 53 SER CA C 53 58.508 58.508 58.449 0.059 19732 3541 1 7 . 1 1 53 53 SER CB C 53 63.636 63.636 61.136 2.500 19732 3542 1 7 . 1 1 53 53 SER H H 53 7.934 7.934 8.710 -0.776 19732 3543 1 7 . 1 1 54 54 ASN N N 54 121.155 121.155 122.565 -1.410 19732 3544 1 7 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.774 0.104 19732 3545 1 7 . 1 1 54 54 ASN C C 54 174.167 174.167 174.909 -0.742 19732 3546 1 7 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.448 -0.977 19732 3547 1 7 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.977 1.027 19732 3548 1 7 . 1 1 54 54 ASN H H 54 7.666 7.666 7.996 -0.330 19732 3549 1 7 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.160 -0.131 19732 3550 1 7 . 1 1 55 55 PRO C C 55 177.787 177.787 178.575 -0.788 19732 3551 1 7 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.170 -0.584 19732 3552 1 7 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.968 0.395 19732 3553 1 7 . 1 1 56 56 GLU N N 56 117.292 117.292 116.730 0.562 19732 3554 1 7 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.354 -0.284 19732 3555 1 7 . 1 1 56 56 GLU C C 56 179.258 179.258 178.907 0.351 19732 3556 1 7 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.359 0.113 19732 3557 1 7 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.067 0.057 19732 3558 1 7 . 1 1 56 56 GLU H H 56 8.153 8.153 8.748 -0.595 19732 3559 1 7 . 1 1 57 57 VAL N N 57 120.730 120.730 121.081 -0.351 19732 3560 1 7 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.961 -0.393 19732 3561 1 7 . 1 1 57 57 VAL C C 57 178.039 178.039 178.460 -0.421 19732 3562 1 7 . 1 1 57 57 VAL CA C 57 65.965 65.965 65.818 0.147 19732 3563 1 7 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.465 0.520 19732 3564 1 7 . 1 1 57 57 VAL H H 57 7.556 7.556 7.395 0.161 19732 3565 1 7 . 1 1 58 58 ILE N N 58 119.892 119.892 119.665 0.227 19732 3566 1 7 . 1 1 58 58 ILE HA H 58 3.710 3.710 4.000 -0.290 19732 3567 1 7 . 1 1 58 58 ILE C C 58 178.096 178.096 178.583 -0.487 19732 3568 1 7 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.835 1.377 19732 3569 1 7 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.243 1.075 19732 3570 1 7 . 1 1 58 58 ILE H H 58 7.784 7.784 8.560 -0.776 19732 3571 1 7 . 1 1 59 59 HIS N N 59 117.644 117.644 120.044 -2.400 19732 3572 1 7 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.739 -0.592 19732 3573 1 7 . 1 1 59 59 HIS C C 59 177.576 177.576 177.762 -0.186 19732 3574 1 7 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.747 -0.252 19732 3575 1 7 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.540 -0.261 19732 3576 1 7 . 1 1 59 59 HIS H H 59 8.350 8.350 8.544 -0.194 19732 3577 1 7 . 1 1 60 60 ARG N N 60 118.248 118.248 119.378 -1.130 19732 3578 1 7 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.888 0.158 19732 3579 1 7 . 1 1 60 60 ARG C C 60 179.642 179.642 178.745 0.897 19732 3580 1 7 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.807 0.139 19732 3581 1 7 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.120 0.186 19732 3582 1 7 . 1 1 60 60 ARG H H 60 7.776 7.776 8.117 -0.342 19732 3583 1 7 . 1 1 61 61 GLN N N 61 119.475 119.475 118.440 1.035 19732 3584 1 7 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.120 -0.054 19732 3585 1 7 . 1 1 61 61 GLN C C 61 178.650 178.650 178.712 -0.062 19732 3586 1 7 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.966 0.059 19732 3587 1 7 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.884 -0.732 19732 3588 1 7 . 1 1 61 61 GLN H H 61 8.460 8.460 7.684 0.776 19732 3589 1 7 . 1 1 62 62 LEU N N 62 117.882 117.882 119.814 -1.932 19732 3590 1 7 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.352 -0.224 19732 3591 1 7 . 1 1 62 62 LEU C C 62 179.260 179.260 178.934 0.326 19732 3592 1 7 . 1 1 62 62 LEU CA C 62 57.995 57.995 57.091 0.904 19732 3593 1 7 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.415 0.216 19732 3594 1 7 . 1 1 62 62 LEU H H 62 8.742 8.742 8.599 0.143 19732 3595 1 7 . 1 1 63 63 ASN N N 63 117.409 117.409 118.697 -1.288 19732 3596 1 7 . 1 1 63 63 ASN HA H 63 4.230 4.230 3.943 0.287 19732 3597 1 7 . 1 1 63 63 ASN C C 63 178.050 178.050 177.484 0.566 19732 3598 1 7 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.577 0.088 19732 3599 1 7 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.496 0.182 19732 3600 1 7 . 1 1 63 63 ASN H H 63 8.279 8.279 8.550 -0.271 19732 3601 1 7 . 1 1 64 64 ARG N N 64 119.753 119.753 118.970 0.783 19732 3602 1 7 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.058 -0.016 19732 3603 1 7 . 1 1 64 64 ARG C C 64 178.914 178.914 178.789 0.125 19732 3604 1 7 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.449 0.411 19732 3605 1 7 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.759 0.010 19732 3606 1 7 . 1 1 64 64 ARG H H 64 7.784 7.784 7.861 -0.077 19732 3607 1 7 . 1 1 65 65 LEU N N 65 120.009 120.009 118.917 1.092 19732 3608 1 7 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.055 -0.116 19732 3609 1 7 . 1 1 65 65 LEU C C 65 178.481 178.481 178.744 -0.263 19732 3610 1 7 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.492 0.815 19732 3611 1 7 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.684 0.773 19732 3612 1 7 . 1 1 65 65 LEU H H 65 7.779 7.779 7.547 0.232 19732 3613 1 7 . 1 1 66 66 PHE N N 66 118.503 118.503 120.305 -1.802 19732 3614 1 7 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.518 -0.543 19732 3615 1 7 . 1 1 66 66 PHE C C 66 178.269 178.269 176.113 2.156 19732 3616 1 7 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.032 0.805 19732 3617 1 7 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.060 -0.309 19732 3618 1 7 . 1 1 66 66 PHE H H 66 8.287 8.287 7.790 0.497 19732 3619 1 7 . 1 1 67 67 ALA N N 67 119.206 119.206 119.351 -0.145 19732 3620 1 7 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.043 -0.144 19732 3621 1 7 . 1 1 67 67 ALA C C 67 178.876 178.876 179.009 -0.133 19732 3622 1 7 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.708 -0.050 19732 3623 1 7 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.608 -0.567 19732 3624 1 7 . 1 1 67 67 ALA H H 67 7.902 7.902 7.692 0.210 19732 3625 1 7 . 1 1 68 68 GLN N N 68 115.534 115.534 117.374 -1.840 19732 3626 1 7 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.284 -0.169 19732 3627 1 7 . 1 1 68 68 GLN C C 68 177.274 177.274 177.006 0.268 19732 3628 1 7 . 1 1 68 68 GLN CA C 68 56.396 56.396 55.976 0.420 19732 3629 1 7 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.889 -1.048 19732 3630 1 7 . 1 1 68 68 GLN H H 68 7.572 7.572 7.605 -0.033 19732 3631 1 7 . 1 1 69 69 GLY N N 69 106.861 106.861 105.110 1.751 19732 3632 1 7 . 1 1 69 69 GLY C C 69 173.690 173.690 173.246 0.444 19732 3633 1 7 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.217 -1.330 19732 3634 1 7 . 1 1 69 69 GLY H H 69 7.486 7.486 7.986 -0.500 19732 3635 1 7 . 1 1 70 70 MET N N 70 119.355 119.355 122.751 -3.396 19732 3636 1 7 . 1 1 70 70 MET HA H 70 4.117 4.117 4.214 -0.097 19732 3637 1 7 . 1 1 70 70 MET C C 70 177.743 177.743 176.722 1.021 19732 3638 1 7 . 1 1 70 70 MET CA C 70 57.396 57.396 58.974 -1.578 19732 3639 1 7 . 1 1 70 70 MET CB C 70 30.638 30.638 32.858 -2.220 19732 3640 1 7 . 1 1 70 70 MET H H 70 8.245 8.245 8.604 -0.359 19732 3641 1 7 . 1 1 71 71 ALA N N 71 120.691 120.691 121.639 -0.948 19732 3642 1 7 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.196 -0.133 19732 3643 1 7 . 1 1 71 71 ALA C C 71 181.027 181.027 179.505 1.522 19732 3644 1 7 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.944 0.698 19732 3645 1 7 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.775 -0.210 19732 3646 1 7 . 1 1 71 71 ALA H H 71 8.624 8.624 8.384 0.240 19732 3647 1 7 . 1 1 72 72 THR N N 72 116.354 116.354 115.943 0.411 19732 3648 1 7 . 1 1 72 72 THR HA H 72 3.825 3.825 4.064 -0.239 19732 3649 1 7 . 1 1 72 72 THR C C 72 174.861 174.861 175.987 -1.126 19732 3650 1 7 . 1 1 72 72 THR CA C 72 66.992 66.992 67.384 -0.392 19732 3651 1 7 . 1 1 72 72 THR CB C 72 68.355 68.355 68.580 -0.225 19732 3652 1 7 . 1 1 72 72 THR H H 72 7.525 7.525 7.903 -0.378 19732 3653 1 7 . 1 1 73 73 TRP N N 73 122.292 122.292 123.002 -0.710 19732 3654 1 7 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.152 0.179 19732 3655 1 7 . 1 1 73 73 TRP C C 73 176.757 176.757 177.413 -0.656 19732 3656 1 7 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.353 -0.794 19732 3657 1 7 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.734 0.622 19732 3658 1 7 . 1 1 73 73 TRP H H 73 8.090 8.090 8.334 -0.244 19732 3659 1 7 . 1 1 74 74 LYS N N 74 115.768 115.768 118.235 -2.467 19732 3660 1 7 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.869 -0.130 19732 3661 1 7 . 1 1 74 74 LYS C C 74 178.957 178.957 179.471 -0.514 19732 3662 1 7 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.126 0.307 19732 3663 1 7 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.236 0.086 19732 3664 1 7 . 1 1 74 74 LYS H H 74 9.001 9.001 7.830 1.171 19732 3665 1 7 . 1 1 75 75 SER N N 75 115.378 115.378 115.334 0.044 19732 3666 1 7 . 1 1 75 75 SER HA H 75 4.211 4.211 4.311 -0.100 19732 3667 1 7 . 1 1 75 75 SER C C 75 175.465 175.465 176.278 -0.813 19732 3668 1 7 . 1 1 75 75 SER CA C 75 61.999 61.999 61.559 0.441 19732 3669 1 7 . 1 1 75 75 SER CB C 75 63.160 63.160 63.173 -0.013 19732 3670 1 7 . 1 1 75 75 SER H H 75 7.604 7.604 8.194 -0.590 19732 3671 1 7 . 1 1 76 76 PHE N N 76 121.707 121.707 124.424 -2.717 19732 3672 1 7 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.158 -0.142 19732 3673 1 7 . 1 1 76 76 PHE C C 76 175.983 175.983 177.175 -1.192 19732 3674 1 7 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.122 0.360 19732 3675 1 7 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.852 -0.573 19732 3676 1 7 . 1 1 76 76 PHE H H 76 8.200 8.200 8.458 -0.258 19732 3677 1 7 . 1 1 77 77 ILE N N 77 117.448 117.448 118.454 -1.006 19732 3678 1 7 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.465 -0.134 19732 3679 1 7 . 1 1 77 77 ILE C C 77 177.919 177.919 178.021 -0.102 19732 3680 1 7 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.579 -3.085 19732 3681 1 7 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.020 -1.298 19732 3682 1 7 . 1 1 77 77 ILE H H 77 8.193 8.193 8.563 -0.370 19732 3683 1 7 . 1 1 78 78 ASN N N 78 119.831 119.831 119.563 0.268 19732 3684 1 7 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.389 -0.171 19732 3685 1 7 . 1 1 78 78 ASN C C 78 177.228 177.228 177.513 -0.285 19732 3686 1 7 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.956 0.835 19732 3687 1 7 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.472 0.832 19732 3688 1 7 . 1 1 78 78 ASN H H 78 8.224 8.224 7.739 0.485 19732 3689 1 7 . 1 1 79 79 ASP N N 79 119.402 119.402 121.571 -2.169 19732 3690 1 7 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.516 -0.027 19732 3691 1 7 . 1 1 79 79 ASP C C 79 177.600 177.600 178.582 -0.982 19732 3692 1 7 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.047 0.528 19732 3693 1 7 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.548 -0.631 19732 3694 1 7 . 1 1 79 79 ASP H H 79 8.028 8.028 7.722 0.306 19732 3695 1 7 . 1 1 80 80 LEU N N 80 122.293 122.293 121.765 0.528 19732 3696 1 7 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.624 -0.136 19732 3697 1 7 . 1 1 80 80 LEU C C 80 178.561 178.561 178.589 -0.028 19732 3698 1 7 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.407 0.925 19732 3699 1 7 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.234 1.146 19732 3700 1 7 . 1 1 80 80 LEU H H 80 8.491 8.491 8.338 0.153 19732 3701 1 7 . 1 1 81 81 CYS N N 81 114.479 114.479 115.517 -1.038 19732 3702 1 7 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.033 -0.102 19732 3703 1 7 . 1 1 81 81 CYS C C 81 176.754 176.754 177.234 -0.480 19732 3704 1 7 . 1 1 81 81 CYS CA C 81 63.543 63.543 63.897 -0.354 19732 3705 1 7 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.834 -0.177 19732 3706 1 7 . 1 1 81 81 CYS H H 81 8.169 8.169 8.222 -0.053 19732 3707 1 7 . 1 1 82 82 PHE N N 82 115.964 115.964 120.776 -4.812 19732 3708 1 7 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.207 0.115 19732 3709 1 7 . 1 1 82 82 PHE C C 82 178.485 178.485 175.972 2.513 19732 3710 1 7 . 1 1 82 82 PHE CA C 82 60.876 60.876 60.895 -0.019 19732 3711 1 7 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.713 0.118 19732 3712 1 7 . 1 1 82 82 PHE H H 82 7.863 7.863 7.683 0.180 19732 3713 1 7 . 1 1 83 83 GLU N N 83 116.314 116.314 116.681 -0.367 19732 3714 1 7 . 1 1 83 83 GLU HA H 83 4.045 4.045 3.991 0.054 19732 3715 1 7 . 1 1 83 83 GLU C C 83 177.877 177.877 178.419 -0.542 19732 3716 1 7 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.099 0.646 19732 3717 1 7 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.230 0.048 19732 3718 1 7 . 1 1 83 83 GLU H H 83 9.049 9.049 8.574 0.475 19732 3719 1 7 . 1 1 84 84 LEU N N 84 116.042 116.042 117.616 -1.574 19732 3720 1 7 . 1 1 84 84 LEU HA H 84 4.237 4.237 3.812 0.425 19732 3721 1 7 . 1 1 84 84 LEU C C 84 175.868 175.868 177.306 -1.438 19732 3722 1 7 . 1 1 84 84 LEU CA C 84 53.657 53.657 56.588 -2.931 19732 3723 1 7 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.233 -2.128 19732 3724 1 7 . 1 1 84 84 LEU H H 84 7.713 7.713 7.367 0.346 19732 3725 1 7 . 1 1 85 85 ASP N N 85 116.940 116.940 114.416 2.524 19732 3726 1 7 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.449 -0.199 19732 3727 1 7 . 1 1 85 85 ASP C C 85 174.424 174.424 175.146 -0.722 19732 3728 1 7 . 1 1 85 85 ASP CA C 85 54.685 54.685 53.717 0.968 19732 3729 1 7 . 1 1 85 85 ASP CB C 85 38.821 38.821 41.626 -2.805 19732 3730 1 7 . 1 1 85 85 ASP H H 85 7.164 7.164 7.530 -0.366 19732 3731 1 7 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.378 0.028 19732 3732 1 7 . 1 1 87 87 PRO C C 87 177.572 177.572 177.457 0.115 19732 3733 1 7 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.758 -0.598 19732 3734 1 7 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.647 0.613 19732 3735 1 7 . 1 1 88 88 LEU N N 88 122.410 122.410 120.998 1.412 19732 3736 1 7 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.226 -0.295 19732 3737 1 7 . 1 1 88 88 LEU C C 88 179.214 179.214 177.015 2.199 19732 3738 1 7 . 1 1 88 88 LEU CA C 88 57.281 57.281 56.327 0.954 19732 3739 1 7 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.379 -0.299 19732 3740 1 7 . 1 1 88 88 LEU H H 88 8.271 8.271 8.188 0.083 19732 3741 1 7 . 1 1 91 91 GLU N N 91 121.224 121.224 121.264 -0.040 19732 3742 1 7 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.156 -0.619 19732 3743 1 7 . 1 1 91 91 GLU C C 91 176.926 176.926 178.107 -1.181 19732 3744 1 7 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.138 1.941 19732 3745 1 7 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.611 -0.126 19732 3746 1 7 . 1 1 91 91 GLU H H 91 7.775 7.775 8.795 -1.020 19732 3747 1 7 . 1 1 92 92 ILE N N 92 115.836 115.836 121.489 -5.653 19732 3748 1 7 . 1 1 92 92 ILE HA H 92 3.910 3.910 3.979 -0.069 19732 3749 1 7 . 1 1 92 92 ILE C C 92 177.704 177.704 175.825 1.879 19732 3750 1 7 . 1 1 92 92 ILE CA C 92 66.030 66.030 65.394 0.636 19732 3751 1 7 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.464 -0.013 19732 3752 1 7 . 1 1 92 92 ILE H H 92 8.259 8.259 8.515 -0.256 19732 3753 1 7 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.397 -0.280 19732 3754 1 7 . 1 1 93 93 PRO C C 93 178.653 178.653 178.647 0.006 19732 3755 1 7 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.025 -0.022 19732 3756 1 7 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.307 -0.171 19732 3757 1 7 . 1 1 94 94 LEU N N 94 114.952 114.952 115.617 -0.665 19732 3758 1 7 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.349 -0.223 19732 3759 1 7 . 1 1 94 94 LEU C C 94 180.119 180.119 179.511 0.608 19732 3760 1 7 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.005 0.780 19732 3761 1 7 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.301 1.459 19732 3762 1 7 . 1 1 94 94 LEU H H 94 7.657 7.657 7.862 -0.205 19732 3763 1 7 . 1 1 95 95 VAL N N 95 119.986 119.986 119.214 0.772 19732 3764 1 7 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.235 -0.227 19732 3765 1 7 . 1 1 95 95 VAL C C 95 177.559 177.559 177.954 -0.395 19732 3766 1 7 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.406 0.260 19732 3767 1 7 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.550 0.164 19732 3768 1 7 . 1 1 95 95 VAL H H 95 8.873 8.873 8.100 0.773 19732 3769 1 7 . 1 1 96 96 SER N N 96 111.863 111.863 113.271 -1.408 19732 3770 1 7 . 1 1 96 96 SER HA H 96 4.598 4.598 4.393 0.205 19732 3771 1 7 . 1 1 96 96 SER C C 96 175.113 175.113 175.538 -0.425 19732 3772 1 7 . 1 1 96 96 SER CA C 96 59.163 59.163 58.087 1.076 19732 3773 1 7 . 1 1 96 96 SER CB C 96 63.552 63.552 62.705 0.847 19732 3774 1 7 . 1 1 96 96 SER H H 96 7.823 7.823 8.011 -0.188 19732 3775 1 7 . 1 1 97 97 ILE N N 97 120.300 120.300 122.049 -1.749 19732 3776 1 7 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.268 -0.449 19732 3777 1 7 . 1 1 97 97 ILE C C 97 174.601 174.601 175.299 -0.698 19732 3778 1 7 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.749 1.055 19732 3779 1 7 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.548 0.511 19732 3780 1 7 . 1 1 97 97 ILE H H 97 7.014 7.014 7.291 -0.277 19732 3781 1 7 . 1 1 98 98 TRP N N 98 120.222 120.222 116.182 4.040 19732 3782 1 7 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.703 -0.641 19732 3783 1 7 . 1 1 98 98 TRP C C 98 176.502 176.502 174.081 2.421 19732 3784 1 7 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.544 2.246 19732 3785 1 7 . 1 1 98 98 TRP CB C 98 28.963 28.963 30.181 -1.218 19732 3786 1 7 . 1 1 98 98 TRP H H 98 7.651 7.651 7.143 0.508 19732 3787 1 7 . 1 1 99 99 GLY N N 99 109.003 109.003 108.241 0.762 19732 3788 1 7 . 1 1 99 99 GLY C C 99 170.846 170.846 172.206 -1.360 19732 3789 1 7 . 1 1 99 99 GLY CA C 99 44.637 44.637 45.942 -1.305 19732 3790 1 7 . 1 1 99 99 GLY H H 99 7.240 7.240 8.063 -0.823 19732 3791 1 7 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.492 -0.193 19732 3792 1 7 . 1 1 100 100 PRO C C 100 176.200 176.200 176.699 -0.499 19732 3793 1 7 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.554 -0.550 19732 3794 1 7 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.065 0.743 19732 3795 1 8 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.660 -0.250 19732 3796 1 8 . 1 1 2 2 PRO C C 2 176.929 176.929 176.678 0.251 19732 3797 1 8 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.670 -0.529 19732 3798 1 8 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.180 0.054 19732 3799 1 8 . 1 1 3 3 LEU N N 3 121.746 121.746 119.254 2.492 19732 3800 1 8 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.494 -0.217 19732 3801 1 8 . 1 1 3 3 LEU C C 3 177.789 177.789 177.367 0.422 19732 3802 1 8 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.833 0.534 19732 3803 1 8 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.126 0.031 19732 3804 1 8 . 1 1 3 3 LEU H H 3 8.420 8.420 7.818 0.602 19732 3805 1 8 . 1 1 4 4 GLY N N 4 109.400 109.400 108.288 1.112 19732 3806 1 8 . 1 1 4 4 GLY C C 4 174.208 174.208 174.233 -0.025 19732 3807 1 8 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.660 0.595 19732 3808 1 8 . 1 1 4 4 GLY H H 4 8.326 8.326 7.814 0.512 19732 3809 1 8 . 1 1 5 5 SER N N 5 115.339 115.339 116.480 -1.141 19732 3810 1 8 . 1 1 5 5 SER HA H 5 4.363 4.363 4.222 0.141 19732 3811 1 8 . 1 1 5 5 SER C C 5 174.549 174.549 174.421 0.128 19732 3812 1 8 . 1 1 5 5 SER CA C 5 58.443 58.443 59.158 -0.716 19732 3813 1 8 . 1 1 5 5 SER CB C 5 63.773 63.773 63.496 0.277 19732 3814 1 8 . 1 1 5 5 SER H H 5 8.098 8.098 8.422 -0.324 19732 3815 1 8 . 1 1 6 6 MET N N 6 121.404 121.404 122.662 -1.258 19732 3816 1 8 . 1 1 6 6 MET HA H 6 4.427 4.427 4.643 -0.216 19732 3817 1 8 . 1 1 6 6 MET C C 6 175.724 175.724 174.775 0.949 19732 3818 1 8 . 1 1 6 6 MET CA C 6 55.612 55.612 55.031 0.581 19732 3819 1 8 . 1 1 6 6 MET CB C 6 32.874 32.874 30.992 1.882 19732 3820 1 8 . 1 1 6 6 MET H H 6 8.326 8.326 8.471 -0.145 19732 3821 1 8 . 1 1 7 7 ASP N N 7 120.769 120.769 124.249 -3.480 19732 3822 1 8 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.922 -0.405 19732 3823 1 8 . 1 1 7 7 ASP C C 7 176.111 176.111 176.372 -0.261 19732 3824 1 8 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.906 -0.770 19732 3825 1 8 . 1 1 7 7 ASP CB C 7 41.285 41.285 42.035 -0.750 19732 3826 1 8 . 1 1 7 7 ASP H H 7 8.114 8.114 8.503 -0.389 19732 3827 1 8 . 1 1 8 8 ALA N N 8 123.543 123.543 122.120 1.423 19732 3828 1 8 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.211 -0.152 19732 3829 1 8 . 1 1 8 8 ALA C C 8 178.788 178.788 178.487 0.301 19732 3830 1 8 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.527 -0.596 19732 3831 1 8 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.794 0.133 19732 3832 1 8 . 1 1 8 8 ALA H H 8 8.248 8.248 8.545 -0.297 19732 3833 1 8 . 1 1 9 9 GLU N N 9 118.034 118.034 118.420 -0.386 19732 3834 1 8 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.036 0.090 19732 3835 1 8 . 1 1 9 9 GLU C C 9 177.485 177.485 178.835 -1.350 19732 3836 1 8 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.077 -1.237 19732 3837 1 8 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.173 1.429 19732 3838 1 8 . 1 1 9 9 GLU H H 9 8.255 8.255 8.663 -0.408 19732 3839 1 8 . 1 1 10 10 SER N N 10 115.260 115.260 115.570 -0.310 19732 3840 1 8 . 1 1 10 10 SER HA H 10 4.232 4.232 4.228 0.004 19732 3841 1 8 . 1 1 10 10 SER C C 10 175.552 175.552 175.892 -0.340 19732 3842 1 8 . 1 1 10 10 SER CA C 10 60.015 60.015 61.696 -1.681 19732 3843 1 8 . 1 1 10 10 SER CB C 10 63.225 63.225 62.970 0.255 19732 3844 1 8 . 1 1 10 10 SER H H 10 7.992 7.992 7.576 0.416 19732 3845 1 8 . 1 1 11 11 ILE N N 11 121.199 121.199 119.706 1.493 19732 3846 1 8 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.050 -0.160 19732 3847 1 8 . 1 1 11 11 ILE C C 11 176.411 176.411 177.428 -1.017 19732 3848 1 8 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.714 -0.964 19732 3849 1 8 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.190 0.083 19732 3850 1 8 . 1 1 11 11 ILE H H 11 7.729 7.729 7.480 0.249 19732 3851 1 8 . 1 1 12 12 ARG N N 12 121.248 121.248 117.789 3.459 19732 3852 1 8 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.333 -0.220 19732 3853 1 8 . 1 1 12 12 ARG C C 12 176.970 176.970 176.623 0.347 19732 3854 1 8 . 1 1 12 12 ARG CA C 12 57.077 57.077 55.878 1.199 19732 3855 1 8 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.852 -0.356 19732 3856 1 8 . 1 1 12 12 ARG H H 12 7.853 7.853 8.098 -0.245 19732 3857 1 8 . 1 1 13 13 LEU N N 13 120.701 120.701 119.965 0.736 19732 3858 1 8 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.144 0.074 19732 3859 1 8 . 1 1 13 13 LEU C C 13 177.620 177.620 176.800 0.820 19732 3860 1 8 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.025 0.272 19732 3861 1 8 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.768 1.406 19732 3862 1 8 . 1 1 13 13 LEU H H 13 8.020 8.020 7.896 0.124 19732 3863 1 8 . 1 1 16 16 GLU N N 16 120.417 120.417 118.701 1.716 19732 3864 1 8 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.113 0.012 19732 3865 1 8 . 1 1 16 16 GLU C C 16 178.929 178.929 178.883 0.046 19732 3866 1 8 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.229 -0.624 19732 3867 1 8 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.419 -0.028 19732 3868 1 8 . 1 1 16 16 GLU H H 16 8.465 8.465 8.935 -0.470 19732 3869 1 8 . 1 1 17 17 ASN N N 17 118.855 118.855 118.597 0.258 19732 3870 1 8 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.525 0.094 19732 3871 1 8 . 1 1 17 17 ASN C C 17 177.835 177.835 177.620 0.215 19732 3872 1 8 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.321 -0.783 19732 3873 1 8 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.502 -0.291 19732 3874 1 8 . 1 1 17 17 ASN H H 17 8.428 8.428 8.145 0.283 19732 3875 1 8 . 1 1 18 18 LEU N N 18 123.972 123.972 122.014 1.958 19732 3876 1 8 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.325 -0.105 19732 3877 1 8 . 1 1 18 18 LEU C C 18 178.248 178.248 178.290 -0.042 19732 3878 1 8 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.987 -0.102 19732 3879 1 8 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.354 0.343 19732 3880 1 8 . 1 1 18 18 LEU H H 18 8.208 8.208 7.762 0.446 19732 3881 1 8 . 1 1 19 19 TRP N N 19 119.362 119.362 121.135 -1.773 19732 3882 1 8 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.341 -0.175 19732 3883 1 8 . 1 1 19 19 TRP C C 19 177.617 177.617 177.631 -0.014 19732 3884 1 8 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.179 0.717 19732 3885 1 8 . 1 1 19 19 TRP CB C 19 29.427 29.427 30.039 -0.612 19732 3886 1 8 . 1 1 19 19 TRP H H 19 8.316 8.316 8.200 0.116 19732 3887 1 8 . 1 1 20 20 ALA N N 20 118.581 118.581 122.297 -3.716 19732 3888 1 8 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.773 0.277 19732 3889 1 8 . 1 1 20 20 ALA C C 20 180.422 180.422 178.993 1.429 19732 3890 1 8 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.184 -0.020 19732 3891 1 8 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.800 0.240 19732 3892 1 8 . 1 1 20 20 ALA H H 20 7.957 7.957 8.520 -0.563 19732 3893 1 8 . 1 1 21 21 TRP N N 21 119.753 119.753 120.387 -0.634 19732 3894 1 8 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.209 -0.316 19732 3895 1 8 . 1 1 21 21 TRP C C 21 177.494 177.494 177.721 -0.227 19732 3896 1 8 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.102 1.996 19732 3897 1 8 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.680 -1.036 19732 3898 1 8 . 1 1 21 21 TRP H H 21 8.043 8.043 8.619 -0.576 19732 3899 1 8 . 1 1 22 22 LEU N N 22 122.136 122.136 120.332 1.804 19732 3900 1 8 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.558 -0.119 19732 3901 1 8 . 1 1 22 22 LEU C C 22 178.075 178.075 178.403 -0.328 19732 3902 1 8 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.905 -0.150 19732 3903 1 8 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.480 0.490 19732 3904 1 8 . 1 1 22 22 LEU H H 22 8.553 8.553 7.459 1.094 19732 3905 1 8 . 1 1 23 23 VAL N N 23 118.034 118.034 118.754 -0.720 19732 3906 1 8 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.312 0.001 19732 3907 1 8 . 1 1 23 23 VAL C C 23 178.401 178.401 178.079 0.322 19732 3908 1 8 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.805 0.319 19732 3909 1 8 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.009 0.291 19732 3910 1 8 . 1 1 23 23 VAL H H 23 8.341 8.341 7.769 0.572 19732 3911 1 8 . 1 1 24 24 ARG N N 24 120.377 120.377 118.140 2.237 19732 3912 1 8 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.979 -0.165 19732 3913 1 8 . 1 1 24 24 ARG C C 24 179.205 179.205 178.742 0.463 19732 3914 1 8 . 1 1 24 24 ARG CA C 24 60.104 60.104 57.728 2.376 19732 3915 1 8 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.786 0.250 19732 3916 1 8 . 1 1 24 24 ARG H H 24 7.856 7.856 8.156 -0.300 19732 3917 1 8 . 1 1 25 25 LEU N N 25 121.668 121.668 120.776 0.892 19732 3918 1 8 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.916 -0.253 19732 3919 1 8 . 1 1 25 25 LEU C C 25 179.943 179.943 179.098 0.845 19732 3920 1 8 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.309 0.739 19732 3921 1 8 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.750 0.278 19732 3922 1 8 . 1 1 25 25 LEU H H 25 7.838 7.838 7.915 -0.077 19732 3923 1 8 . 1 1 26 26 LEU N N 26 118.308 118.308 117.685 0.623 19732 3924 1 8 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.088 -0.177 19732 3925 1 8 . 1 1 26 26 LEU C C 26 179.471 179.471 179.421 0.050 19732 3926 1 8 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.307 0.166 19732 3927 1 8 . 1 1 26 26 LEU CB C 26 41.029 41.029 41.013 0.016 19732 3928 1 8 . 1 1 26 26 LEU H H 26 8.247 8.247 8.018 0.229 19732 3929 1 8 . 1 1 27 27 SER N N 27 115.768 115.768 113.924 1.844 19732 3930 1 8 . 1 1 27 27 SER HA H 27 4.020 4.020 4.238 -0.218 19732 3931 1 8 . 1 1 27 27 SER C C 27 174.990 174.990 175.116 -0.126 19732 3932 1 8 . 1 1 27 27 SER CA C 27 61.755 61.755 60.278 1.477 19732 3933 1 8 . 1 1 27 27 SER CB C 27 62.755 62.755 63.041 -0.286 19732 3934 1 8 . 1 1 27 27 SER H H 27 8.436 8.436 7.800 0.636 19732 3935 1 8 . 1 1 28 28 LYS N N 28 117.644 117.644 117.548 0.096 19732 3936 1 8 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.317 -0.003 19732 3937 1 8 . 1 1 28 28 LYS C C 28 175.979 175.979 176.153 -0.174 19732 3938 1 8 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.254 -0.067 19732 3939 1 8 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.492 0.299 19732 3940 1 8 . 1 1 28 28 LYS H H 28 7.014 7.014 7.213 -0.199 19732 3941 1 8 . 1 1 29 29 ASN N N 29 118.347 118.347 117.995 0.352 19732 3942 1 8 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.196 0.086 19732 3943 1 8 . 1 1 29 29 ASN C C 29 171.835 171.835 173.311 -1.476 19732 3944 1 8 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.403 0.922 19732 3945 1 8 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.044 2.582 19732 3946 1 8 . 1 1 29 29 ASN H H 29 7.611 7.611 7.732 -0.121 19732 3947 1 8 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.506 -0.055 19732 3948 1 8 . 1 1 30 30 PRO C C 30 179.560 179.560 178.126 1.434 19732 3949 1 8 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.992 0.877 19732 3950 1 8 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.992 -0.590 19732 3951 1 8 . 1 1 31 31 GLU N N 31 119.636 119.636 117.817 1.819 19732 3952 1 8 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.208 -0.082 19732 3953 1 8 . 1 1 31 31 GLU C C 31 179.253 179.253 178.842 0.411 19732 3954 1 8 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.719 -0.047 19732 3955 1 8 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.964 -0.599 19732 3956 1 8 . 1 1 31 31 GLU H H 31 8.593 8.593 8.994 -0.401 19732 3957 1 8 . 1 1 32 32 TRP N N 32 122.293 122.293 122.359 -0.066 19732 3958 1 8 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.428 -0.395 19732 3959 1 8 . 1 1 32 32 TRP C C 32 178.055 178.055 178.007 0.048 19732 3960 1 8 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.178 0.677 19732 3961 1 8 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.596 -0.481 19732 3962 1 8 . 1 1 32 32 TRP H H 32 7.933 7.933 7.541 0.392 19732 3963 1 8 . 1 1 33 33 LEU N N 33 117.409 117.409 121.748 -4.339 19732 3964 1 8 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.675 0.215 19732 3965 1 8 . 1 1 33 33 LEU C C 33 177.934 177.934 178.527 -0.593 19732 3966 1 8 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.989 0.189 19732 3967 1 8 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.705 -0.147 19732 3968 1 8 . 1 1 33 33 LEU H H 33 8.012 8.012 8.564 -0.552 19732 3969 1 8 . 1 1 34 34 SER N N 34 113.257 113.257 114.912 -1.655 19732 3970 1 8 . 1 1 34 34 SER HA H 34 3.975 3.975 3.977 -0.002 19732 3971 1 8 . 1 1 34 34 SER C C 34 176.363 176.363 176.508 -0.145 19732 3972 1 8 . 1 1 34 34 SER CA C 34 62.194 62.194 61.809 0.385 19732 3973 1 8 . 1 1 34 34 SER CB C 34 62.739 62.739 62.453 0.286 19732 3974 1 8 . 1 1 34 34 SER H H 34 8.335 8.335 8.220 0.115 19732 3975 1 8 . 1 1 35 35 ALA N N 35 121.511 121.511 124.806 -3.295 19732 3976 1 8 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.985 -0.028 19732 3977 1 8 . 1 1 35 35 ALA C C 35 180.728 180.728 180.011 0.717 19732 3978 1 8 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.882 0.007 19732 3979 1 8 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.163 -0.388 19732 3980 1 8 . 1 1 35 35 ALA H H 35 7.391 7.391 7.448 -0.057 19732 3981 1 8 . 1 1 36 36 LYS N N 36 118.386 118.386 118.466 -0.080 19732 3982 1 8 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.976 -0.142 19732 3983 1 8 . 1 1 36 36 LYS C C 36 179.578 179.578 179.396 0.182 19732 3984 1 8 . 1 1 36 36 LYS CA C 36 56.597 56.597 58.246 -1.649 19732 3985 1 8 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.081 -1.597 19732 3986 1 8 . 1 1 36 36 LYS H H 36 7.823 7.823 7.399 0.424 19732 3987 1 8 . 1 1 37 37 LEU N N 37 119.480 119.480 119.939 -0.459 19732 3988 1 8 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.078 -0.188 19732 3989 1 8 . 1 1 37 37 LEU C C 37 178.529 178.529 178.520 0.009 19732 3990 1 8 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.193 0.454 19732 3991 1 8 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.277 -0.129 19732 3992 1 8 . 1 1 37 37 LEU H H 37 8.725 8.725 8.664 0.061 19732 3993 1 8 . 1 1 38 38 ARG N N 38 115.612 115.612 117.198 -1.586 19732 3994 1 8 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.002 -0.005 19732 3995 1 8 . 1 1 38 38 ARG C C 38 177.661 177.661 177.923 -0.262 19732 3996 1 8 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.134 -0.622 19732 3997 1 8 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.917 0.018 19732 3998 1 8 . 1 1 38 38 ARG H H 38 7.446 7.446 7.761 -0.315 19732 3999 1 8 . 1 1 39 39 SER N N 39 111.883 111.883 113.008 -1.125 19732 4000 1 8 . 1 1 39 39 SER HA H 39 4.160 4.160 4.210 -0.050 19732 4001 1 8 . 1 1 39 39 SER C C 39 175.401 175.401 175.232 0.169 19732 4002 1 8 . 1 1 39 39 SER CA C 39 60.359 60.359 60.368 -0.009 19732 4003 1 8 . 1 1 39 39 SER CB C 39 63.228 63.228 63.083 0.145 19732 4004 1 8 . 1 1 39 39 SER H H 39 7.353 7.353 7.616 -0.263 19732 4005 1 8 . 1 1 40 40 PHE N N 40 117.136 117.136 118.341 -1.205 19732 4006 1 8 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.416 0.198 19732 4007 1 8 . 1 1 40 40 PHE C C 40 175.852 175.852 175.936 -0.084 19732 4008 1 8 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.796 -0.086 19732 4009 1 8 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.335 2.359 19732 4010 1 8 . 1 1 40 40 PHE H H 40 7.792 7.792 7.102 0.690 19732 4011 1 8 . 1 1 41 41 LEU N N 41 119.050 119.050 119.364 -0.314 19732 4012 1 8 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.558 0.319 19732 4013 1 8 . 1 1 41 41 LEU C C 41 174.510 174.510 176.301 -1.791 19732 4014 1 8 . 1 1 41 41 LEU CA C 41 52.092 52.092 53.025 -0.933 19732 4015 1 8 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.978 0.059 19732 4016 1 8 . 1 1 41 41 LEU H H 41 8.114 8.114 8.221 -0.107 19732 4017 1 8 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.480 -0.178 19732 4018 1 8 . 1 1 42 42 PRO C C 42 177.620 177.620 177.280 0.340 19732 4019 1 8 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.187 -0.416 19732 4020 1 8 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.202 -0.521 19732 4021 1 8 . 1 1 43 43 THR N N 43 109.752 109.752 111.783 -2.031 19732 4022 1 8 . 1 1 43 43 THR HA H 43 4.256 4.256 4.416 -0.160 19732 4023 1 8 . 1 1 43 43 THR C C 43 174.467 174.467 173.780 0.687 19732 4024 1 8 . 1 1 43 43 THR CA C 43 61.657 61.657 59.950 1.707 19732 4025 1 8 . 1 1 43 43 THR CB C 43 69.450 69.450 68.120 1.330 19732 4026 1 8 . 1 1 43 43 THR H H 43 7.671 7.671 7.630 0.041 19732 4027 1 8 . 1 1 44 44 MET N N 44 121.568 121.568 123.321 -1.753 19732 4028 1 8 . 1 1 44 44 MET HA H 44 4.363 4.363 4.287 0.076 19732 4029 1 8 . 1 1 44 44 MET C C 44 175.373 175.373 175.921 -0.548 19732 4030 1 8 . 1 1 44 44 MET CA C 44 55.710 55.710 55.752 -0.042 19732 4031 1 8 . 1 1 44 44 MET CB C 44 32.989 32.989 32.989 0.000 19732 4032 1 8 . 1 1 44 44 MET H H 44 8.037 8.037 7.672 0.365 19732 4033 1 8 . 1 1 45 45 ASP N N 45 121.980 121.980 129.329 -7.349 19732 4034 1 8 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.738 -0.217 19732 4035 1 8 . 1 1 45 45 ASP C C 45 176.022 176.022 175.575 0.447 19732 4036 1 8 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.421 0.950 19732 4037 1 8 . 1 1 45 45 ASP CB C 45 41.147 41.147 39.920 1.227 19732 4038 1 8 . 1 1 45 45 ASP H H 45 8.230 8.230 8.697 -0.467 19732 4039 1 8 . 1 1 46 46 LEU N N 46 122.192 122.192 119.039 3.153 19732 4040 1 8 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.489 -0.345 19732 4041 1 8 . 1 1 46 46 LEU C C 46 177.018 177.018 177.526 -0.508 19732 4042 1 8 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.578 0.335 19732 4043 1 8 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.159 0.017 19732 4044 1 8 . 1 1 46 46 LEU H H 46 8.028 8.028 7.410 0.618 19732 4045 1 8 . 1 1 47 47 ASP N N 47 120.573 120.573 119.210 1.363 19732 4046 1 8 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.449 0.076 19732 4047 1 8 . 1 1 47 47 ASP C C 47 176.370 176.370 176.162 0.208 19732 4048 1 8 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.682 -1.475 19732 4049 1 8 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.878 0.276 19732 4050 1 8 . 1 1 47 47 ASP H H 47 8.238 8.238 8.563 -0.325 19732 4051 1 8 . 1 1 48 48 CYS N N 48 118.464 118.464 121.099 -2.635 19732 4052 1 8 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.519 -0.090 19732 4053 1 8 . 1 1 48 48 CYS C C 48 174.340 174.340 174.129 0.211 19732 4054 1 8 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.053 0.460 19732 4055 1 8 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.330 0.623 19732 4056 1 8 . 1 1 48 48 CYS H H 48 8.068 8.068 7.919 0.149 19732 4057 1 8 . 1 1 49 49 SER N N 49 116.784 116.784 120.175 -3.391 19732 4058 1 8 . 1 1 49 49 SER HA H 49 4.302 4.302 4.238 0.064 19732 4059 1 8 . 1 1 49 49 SER C C 49 173.897 173.897 174.507 -0.610 19732 4060 1 8 . 1 1 49 49 SER CA C 49 58.718 58.718 57.482 1.236 19732 4061 1 8 . 1 1 49 49 SER CB C 49 63.636 63.636 62.162 1.474 19732 4062 1 8 . 1 1 49 49 SER H H 49 8.185 8.185 7.963 0.222 19732 4063 1 8 . 1 1 50 50 TYR N N 50 120.886 120.886 120.874 0.012 19732 4064 1 8 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.404 0.108 19732 4065 1 8 . 1 1 50 50 TYR C C 50 174.818 174.818 176.043 -1.225 19732 4066 1 8 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.916 -1.430 19732 4067 1 8 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.215 0.582 19732 4068 1 8 . 1 1 50 50 TYR H H 50 7.776 7.776 7.185 0.591 19732 4069 1 8 . 1 1 51 51 GLU N N 51 122.800 122.800 118.340 4.460 19732 4070 1 8 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.786 -0.231 19732 4071 1 8 . 1 1 51 51 GLU C C 51 174.508 174.508 174.456 0.052 19732 4072 1 8 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.519 0.409 19732 4073 1 8 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.575 -1.350 19732 4074 1 8 . 1 1 51 51 GLU H H 51 8.026 8.026 7.817 0.209 19732 4075 1 8 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.432 -0.130 19732 4076 1 8 . 1 1 52 52 PRO C C 52 176.065 176.065 177.730 -1.665 19732 4077 1 8 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.474 1.210 19732 4078 1 8 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.260 -0.697 19732 4079 1 8 . 1 1 53 53 SER N N 53 110.611 110.611 115.810 -5.199 19732 4080 1 8 . 1 1 53 53 SER HA H 53 4.302 4.302 4.359 -0.057 19732 4081 1 8 . 1 1 53 53 SER C C 53 173.858 173.858 174.057 -0.199 19732 4082 1 8 . 1 1 53 53 SER CA C 53 58.508 58.508 58.125 0.383 19732 4083 1 8 . 1 1 53 53 SER CB C 53 63.636 63.636 61.134 2.502 19732 4084 1 8 . 1 1 53 53 SER H H 53 7.934 7.934 8.666 -0.732 19732 4085 1 8 . 1 1 54 54 ASN N N 54 121.155 121.155 123.018 -1.863 19732 4086 1 8 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.743 0.135 19732 4087 1 8 . 1 1 54 54 ASN C C 54 174.167 174.167 174.832 -0.665 19732 4088 1 8 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.901 -1.430 19732 4089 1 8 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.028 0.976 19732 4090 1 8 . 1 1 54 54 ASN H H 54 7.666 7.666 8.038 -0.372 19732 4091 1 8 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.064 -0.035 19732 4092 1 8 . 1 1 55 55 PRO C C 55 177.787 177.787 178.264 -0.477 19732 4093 1 8 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.235 -0.649 19732 4094 1 8 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.856 0.507 19732 4095 1 8 . 1 1 56 56 GLU N N 56 117.292 117.292 115.224 2.068 19732 4096 1 8 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.478 -0.408 19732 4097 1 8 . 1 1 56 56 GLU C C 56 179.258 179.258 179.109 0.149 19732 4098 1 8 . 1 1 56 56 GLU CA C 56 59.472 59.472 58.806 0.666 19732 4099 1 8 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.937 0.187 19732 4100 1 8 . 1 1 56 56 GLU H H 56 8.153 8.153 9.059 -0.906 19732 4101 1 8 . 1 1 57 57 VAL N N 57 120.730 120.730 121.012 -0.282 19732 4102 1 8 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.879 -0.311 19732 4103 1 8 . 1 1 57 57 VAL C C 57 178.039 178.039 177.930 0.109 19732 4104 1 8 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.148 -0.183 19732 4105 1 8 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.840 0.145 19732 4106 1 8 . 1 1 57 57 VAL H H 57 7.556 7.556 7.821 -0.265 19732 4107 1 8 . 1 1 58 58 ILE N N 58 119.892 119.892 120.273 -0.381 19732 4108 1 8 . 1 1 58 58 ILE HA H 58 3.710 3.710 4.002 -0.292 19732 4109 1 8 . 1 1 58 58 ILE C C 58 178.096 178.096 178.180 -0.084 19732 4110 1 8 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.136 2.076 19732 4111 1 8 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.425 0.893 19732 4112 1 8 . 1 1 58 58 ILE H H 58 7.784 7.784 8.412 -0.628 19732 4113 1 8 . 1 1 59 59 HIS N N 59 117.644 117.644 120.048 -2.404 19732 4114 1 8 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.326 -0.179 19732 4115 1 8 . 1 1 59 59 HIS C C 59 177.576 177.576 177.633 -0.057 19732 4116 1 8 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.105 0.390 19732 4117 1 8 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.456 -0.177 19732 4118 1 8 . 1 1 59 59 HIS H H 59 8.350 8.350 8.602 -0.252 19732 4119 1 8 . 1 1 60 60 ARG N N 60 118.248 118.248 117.891 0.357 19732 4120 1 8 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.975 0.071 19732 4121 1 8 . 1 1 60 60 ARG C C 60 179.642 179.642 178.682 0.960 19732 4122 1 8 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.354 0.592 19732 4123 1 8 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.497 0.810 19732 4124 1 8 . 1 1 60 60 ARG H H 60 7.776 7.776 8.055 -0.279 19732 4125 1 8 . 1 1 61 61 GLN N N 61 119.475 119.475 119.434 0.041 19732 4126 1 8 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.121 -0.055 19732 4127 1 8 . 1 1 61 61 GLN C C 61 178.650 178.650 178.465 0.185 19732 4128 1 8 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.691 0.334 19732 4129 1 8 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.813 -0.661 19732 4130 1 8 . 1 1 61 61 GLN H H 61 8.460 8.460 7.717 0.743 19732 4131 1 8 . 1 1 62 62 LEU N N 62 117.882 117.882 120.063 -2.181 19732 4132 1 8 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.267 -0.139 19732 4133 1 8 . 1 1 62 62 LEU C C 62 179.260 179.260 178.872 0.388 19732 4134 1 8 . 1 1 62 62 LEU CA C 62 57.995 57.995 57.224 0.771 19732 4135 1 8 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.180 0.451 19732 4136 1 8 . 1 1 62 62 LEU H H 62 8.742 8.742 8.272 0.470 19732 4137 1 8 . 1 1 63 63 ASN N N 63 117.409 117.409 118.786 -1.377 19732 4138 1 8 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.219 0.011 19732 4139 1 8 . 1 1 63 63 ASN C C 63 178.050 178.050 177.199 0.851 19732 4140 1 8 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.761 -0.097 19732 4141 1 8 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.625 0.053 19732 4142 1 8 . 1 1 63 63 ASN H H 63 8.279 8.279 8.716 -0.437 19732 4143 1 8 . 1 1 64 64 ARG N N 64 119.753 119.753 119.363 0.390 19732 4144 1 8 . 1 1 64 64 ARG HA H 64 4.042 4.042 3.884 0.158 19732 4145 1 8 . 1 1 64 64 ARG C C 64 178.914 178.914 178.838 0.076 19732 4146 1 8 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.258 0.603 19732 4147 1 8 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.623 0.146 19732 4148 1 8 . 1 1 64 64 ARG H H 64 7.784 7.784 7.832 -0.048 19732 4149 1 8 . 1 1 65 65 LEU N N 65 120.009 120.009 118.873 1.136 19732 4150 1 8 . 1 1 65 65 LEU HA H 65 3.939 3.939 3.967 -0.028 19732 4151 1 8 . 1 1 65 65 LEU C C 65 178.481 178.481 178.897 -0.416 19732 4152 1 8 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.749 0.558 19732 4153 1 8 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.604 0.853 19732 4154 1 8 . 1 1 65 65 LEU H H 65 7.779 7.779 7.362 0.417 19732 4155 1 8 . 1 1 66 66 PHE N N 66 118.503 118.503 117.749 0.754 19732 4156 1 8 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.853 -0.878 19732 4157 1 8 . 1 1 66 66 PHE C C 66 178.269 178.269 177.168 1.101 19732 4158 1 8 . 1 1 66 66 PHE CA C 66 60.837 60.837 58.411 2.425 19732 4159 1 8 . 1 1 66 66 PHE CB C 66 38.751 38.751 37.572 1.179 19732 4160 1 8 . 1 1 66 66 PHE H H 66 8.287 8.287 7.789 0.498 19732 4161 1 8 . 1 1 67 67 ALA N N 67 119.206 119.206 121.014 -1.808 19732 4162 1 8 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.109 -0.210 19732 4163 1 8 . 1 1 67 67 ALA C C 67 178.876 178.876 178.863 0.013 19732 4164 1 8 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.978 -0.320 19732 4165 1 8 . 1 1 67 67 ALA CB C 67 18.041 18.041 17.941 0.100 19732 4166 1 8 . 1 1 67 67 ALA H H 67 7.902 7.902 7.516 0.386 19732 4167 1 8 . 1 1 68 68 GLN N N 68 115.534 115.534 117.559 -2.025 19732 4168 1 8 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.241 -0.126 19732 4169 1 8 . 1 1 68 68 GLN C C 68 177.274 177.274 176.822 0.452 19732 4170 1 8 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.712 -0.316 19732 4171 1 8 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.718 -0.878 19732 4172 1 8 . 1 1 68 68 GLN H H 68 7.572 7.572 7.548 0.024 19732 4173 1 8 . 1 1 69 69 GLY N N 69 106.861 106.861 105.753 1.108 19732 4174 1 8 . 1 1 69 69 GLY C C 69 173.690 173.690 173.583 0.107 19732 4175 1 8 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.277 -1.390 19732 4176 1 8 . 1 1 69 69 GLY H H 69 7.486 7.486 7.536 -0.050 19732 4177 1 8 . 1 1 70 70 MET N N 70 119.355 119.355 121.804 -2.449 19732 4178 1 8 . 1 1 70 70 MET HA H 70 4.117 4.117 3.776 0.341 19732 4179 1 8 . 1 1 70 70 MET C C 70 177.743 177.743 176.591 1.152 19732 4180 1 8 . 1 1 70 70 MET CA C 70 57.396 57.396 58.593 -1.197 19732 4181 1 8 . 1 1 70 70 MET CB C 70 30.638 30.638 31.441 -0.803 19732 4182 1 8 . 1 1 70 70 MET H H 70 8.245 8.245 8.519 -0.274 19732 4183 1 8 . 1 1 71 71 ALA N N 71 120.691 120.691 122.814 -2.123 19732 4184 1 8 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.099 -0.036 19732 4185 1 8 . 1 1 71 71 ALA C C 71 181.027 181.027 179.472 1.555 19732 4186 1 8 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.824 0.818 19732 4187 1 8 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.622 -0.057 19732 4188 1 8 . 1 1 71 71 ALA H H 71 8.624 8.624 8.282 0.342 19732 4189 1 8 . 1 1 72 72 THR N N 72 116.354 116.354 116.078 0.276 19732 4190 1 8 . 1 1 72 72 THR HA H 72 3.825 3.825 3.948 -0.123 19732 4191 1 8 . 1 1 72 72 THR C C 72 174.861 174.861 176.378 -1.517 19732 4192 1 8 . 1 1 72 72 THR CA C 72 66.992 66.992 66.541 0.451 19732 4193 1 8 . 1 1 72 72 THR CB C 72 68.355 68.355 68.573 -0.218 19732 4194 1 8 . 1 1 72 72 THR H H 72 7.525 7.525 7.815 -0.290 19732 4195 1 8 . 1 1 73 73 TRP N N 73 122.292 122.292 122.348 -0.056 19732 4196 1 8 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.225 0.106 19732 4197 1 8 . 1 1 73 73 TRP C C 73 176.757 176.757 177.479 -0.722 19732 4198 1 8 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.902 -0.343 19732 4199 1 8 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.875 0.481 19732 4200 1 8 . 1 1 73 73 TRP H H 73 8.090 8.090 8.328 -0.238 19732 4201 1 8 . 1 1 74 74 LYS N N 74 115.768 115.768 118.482 -2.714 19732 4202 1 8 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.825 -0.086 19732 4203 1 8 . 1 1 74 74 LYS C C 74 178.957 178.957 179.522 -0.565 19732 4204 1 8 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.029 0.404 19732 4205 1 8 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.137 0.185 19732 4206 1 8 . 1 1 74 74 LYS H H 74 9.001 9.001 7.884 1.117 19732 4207 1 8 . 1 1 75 75 SER N N 75 115.378 115.378 115.809 -0.431 19732 4208 1 8 . 1 1 75 75 SER HA H 75 4.211 4.211 4.249 -0.038 19732 4209 1 8 . 1 1 75 75 SER C C 75 175.465 175.465 176.457 -0.992 19732 4210 1 8 . 1 1 75 75 SER CA C 75 61.999 61.999 61.425 0.574 19732 4211 1 8 . 1 1 75 75 SER CB C 75 63.160 63.160 62.977 0.183 19732 4212 1 8 . 1 1 75 75 SER H H 75 7.604 7.604 8.427 -0.823 19732 4213 1 8 . 1 1 76 76 PHE N N 76 121.707 121.707 124.518 -2.811 19732 4214 1 8 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.225 -0.209 19732 4215 1 8 . 1 1 76 76 PHE C C 76 175.983 175.983 177.270 -1.287 19732 4216 1 8 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.062 0.420 19732 4217 1 8 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.822 -0.542 19732 4218 1 8 . 1 1 76 76 PHE H H 76 8.200 8.200 8.502 -0.302 19732 4219 1 8 . 1 1 77 77 ILE N N 77 117.448 117.448 118.436 -0.988 19732 4220 1 8 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.264 0.067 19732 4221 1 8 . 1 1 77 77 ILE C C 77 177.919 177.919 177.936 -0.017 19732 4222 1 8 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.590 -3.096 19732 4223 1 8 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.023 -1.301 19732 4224 1 8 . 1 1 77 77 ILE H H 77 8.193 8.193 8.499 -0.306 19732 4225 1 8 . 1 1 78 78 ASN N N 78 119.831 119.831 119.583 0.248 19732 4226 1 8 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.663 -0.445 19732 4227 1 8 . 1 1 78 78 ASN C C 78 177.228 177.228 177.491 -0.263 19732 4228 1 8 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.289 1.502 19732 4229 1 8 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.625 0.679 19732 4230 1 8 . 1 1 78 78 ASN H H 78 8.224 8.224 7.788 0.436 19732 4231 1 8 . 1 1 79 79 ASP N N 79 119.402 119.402 121.352 -1.950 19732 4232 1 8 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.505 -0.016 19732 4233 1 8 . 1 1 79 79 ASP C C 79 177.600 177.600 178.524 -0.924 19732 4234 1 8 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.176 0.399 19732 4235 1 8 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.861 -0.944 19732 4236 1 8 . 1 1 79 79 ASP H H 79 8.028 8.028 7.648 0.380 19732 4237 1 8 . 1 1 80 80 LEU N N 80 122.293 122.293 121.862 0.431 19732 4238 1 8 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.692 -0.204 19732 4239 1 8 . 1 1 80 80 LEU C C 80 178.561 178.561 178.557 0.004 19732 4240 1 8 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.461 0.871 19732 4241 1 8 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.083 1.297 19732 4242 1 8 . 1 1 80 80 LEU H H 80 8.491 8.491 8.354 0.137 19732 4243 1 8 . 1 1 81 81 CYS N N 81 114.479 114.479 115.946 -1.467 19732 4244 1 8 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.003 -0.072 19732 4245 1 8 . 1 1 81 81 CYS C C 81 176.754 176.754 176.768 -0.014 19732 4246 1 8 . 1 1 81 81 CYS CA C 81 63.543 63.543 64.234 -0.691 19732 4247 1 8 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.131 -0.474 19732 4248 1 8 . 1 1 81 81 CYS H H 81 8.169 8.169 7.847 0.322 19732 4249 1 8 . 1 1 82 82 PHE N N 82 115.964 115.964 121.321 -5.357 19732 4250 1 8 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.163 0.159 19732 4251 1 8 . 1 1 82 82 PHE C C 82 178.485 178.485 177.081 1.404 19732 4252 1 8 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.617 -0.741 19732 4253 1 8 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.425 0.406 19732 4254 1 8 . 1 1 82 82 PHE H H 82 7.863 7.863 7.585 0.278 19732 4255 1 8 . 1 1 83 83 GLU N N 83 116.314 116.314 118.576 -2.262 19732 4256 1 8 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.081 -0.036 19732 4257 1 8 . 1 1 83 83 GLU C C 83 177.877 177.877 177.998 -0.121 19732 4258 1 8 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.838 -0.093 19732 4259 1 8 . 1 1 83 83 GLU CB C 83 30.278 30.278 29.999 0.279 19732 4260 1 8 . 1 1 83 83 GLU H H 83 9.049 9.049 8.802 0.247 19732 4261 1 8 . 1 1 84 84 LEU N N 84 116.042 116.042 117.884 -1.842 19732 4262 1 8 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.154 0.083 19732 4263 1 8 . 1 1 84 84 LEU C C 84 175.868 175.868 176.779 -0.911 19732 4264 1 8 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.521 -0.864 19732 4265 1 8 . 1 1 84 84 LEU CB C 84 40.104 40.104 41.877 -1.773 19732 4266 1 8 . 1 1 84 84 LEU H H 84 7.713 7.713 7.289 0.424 19732 4267 1 8 . 1 1 85 85 ASP N N 85 116.940 116.940 118.252 -1.312 19732 4268 1 8 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.191 0.059 19732 4269 1 8 . 1 1 85 85 ASP C C 85 174.424 174.424 175.426 -1.002 19732 4270 1 8 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.144 -0.459 19732 4271 1 8 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.735 -0.914 19732 4272 1 8 . 1 1 85 85 ASP H H 85 7.164 7.164 7.433 -0.269 19732 4273 1 8 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.545 -0.139 19732 4274 1 8 . 1 1 87 87 PRO C C 87 177.572 177.572 176.505 1.067 19732 4275 1 8 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.109 0.050 19732 4276 1 8 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.694 0.566 19732 4277 1 8 . 1 1 88 88 LEU N N 88 122.410 122.410 124.769 -2.359 19732 4278 1 8 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.284 -0.353 19732 4279 1 8 . 1 1 88 88 LEU C C 88 179.214 179.214 178.006 1.208 19732 4280 1 8 . 1 1 88 88 LEU CA C 88 57.281 57.281 54.885 2.396 19732 4281 1 8 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.353 -1.274 19732 4282 1 8 . 1 1 88 88 LEU H H 88 8.271 8.271 8.532 -0.261 19732 4283 1 8 . 1 1 91 91 GLU N N 91 121.224 121.224 123.135 -1.911 19732 4284 1 8 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.065 -0.528 19732 4285 1 8 . 1 1 91 91 GLU C C 91 176.926 176.926 177.743 -0.817 19732 4286 1 8 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.536 1.543 19732 4287 1 8 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.961 -0.476 19732 4288 1 8 . 1 1 91 91 GLU H H 91 7.775 7.775 8.212 -0.437 19732 4289 1 8 . 1 1 92 92 ILE N N 92 115.836 115.836 119.495 -3.659 19732 4290 1 8 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.113 -0.203 19732 4291 1 8 . 1 1 92 92 ILE C C 92 177.704 177.704 175.596 2.108 19732 4292 1 8 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.575 1.455 19732 4293 1 8 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.679 -0.228 19732 4294 1 8 . 1 1 92 92 ILE H H 92 8.259 8.259 7.985 0.274 19732 4295 1 8 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.236 -0.119 19732 4296 1 8 . 1 1 93 93 PRO C C 93 178.653 178.653 177.647 1.006 19732 4297 1 8 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.003 -0.000 19732 4298 1 8 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.337 -0.201 19732 4299 1 8 . 1 1 94 94 LEU N N 94 114.952 114.952 115.099 -0.147 19732 4300 1 8 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.318 -0.192 19732 4301 1 8 . 1 1 94 94 LEU C C 94 180.119 180.119 179.564 0.555 19732 4302 1 8 . 1 1 94 94 LEU CA C 94 57.785 57.785 58.323 -0.538 19732 4303 1 8 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.672 1.087 19732 4304 1 8 . 1 1 94 94 LEU H H 94 7.657 7.657 7.789 -0.132 19732 4305 1 8 . 1 1 95 95 VAL N N 95 119.986 119.986 118.489 1.497 19732 4306 1 8 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.120 -0.112 19732 4307 1 8 . 1 1 95 95 VAL C C 95 177.559 177.559 178.190 -0.631 19732 4308 1 8 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.684 -0.018 19732 4309 1 8 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.691 0.023 19732 4310 1 8 . 1 1 95 95 VAL H H 95 8.873 8.873 8.230 0.643 19732 4311 1 8 . 1 1 96 96 SER N N 96 111.863 111.863 114.049 -2.186 19732 4312 1 8 . 1 1 96 96 SER HA H 96 4.598 4.598 4.556 0.042 19732 4313 1 8 . 1 1 96 96 SER C C 96 175.113 175.113 175.225 -0.112 19732 4314 1 8 . 1 1 96 96 SER CA C 96 59.163 59.163 58.612 0.551 19732 4315 1 8 . 1 1 96 96 SER CB C 96 63.552 63.552 62.839 0.713 19732 4316 1 8 . 1 1 96 96 SER H H 96 7.823 7.823 8.487 -0.664 19732 4317 1 8 . 1 1 97 97 ILE N N 97 120.300 120.300 121.351 -1.051 19732 4318 1 8 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.968 -0.149 19732 4319 1 8 . 1 1 97 97 ILE C C 97 174.601 174.601 175.573 -0.972 19732 4320 1 8 . 1 1 97 97 ILE CA C 97 63.804 63.804 61.742 2.062 19732 4321 1 8 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.527 0.532 19732 4322 1 8 . 1 1 97 97 ILE H H 97 7.014 7.014 7.407 -0.393 19732 4323 1 8 . 1 1 98 98 TRP N N 98 120.222 120.222 122.051 -1.829 19732 4324 1 8 . 1 1 98 98 TRP HA H 98 4.062 4.062 3.759 0.303 19732 4325 1 8 . 1 1 98 98 TRP C C 98 176.502 176.502 175.337 1.165 19732 4326 1 8 . 1 1 98 98 TRP CA C 98 57.790 57.790 58.932 -1.142 19732 4327 1 8 . 1 1 98 98 TRP CB C 98 28.963 28.963 28.407 0.556 19732 4328 1 8 . 1 1 98 98 TRP H H 98 7.651 7.651 7.293 0.358 19732 4329 1 8 . 1 1 99 99 GLY N N 99 109.003 109.003 114.900 -5.897 19732 4330 1 8 . 1 1 99 99 GLY C C 99 170.846 170.846 172.220 -1.374 19732 4331 1 8 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.903 -0.266 19732 4332 1 8 . 1 1 99 99 GLY H H 99 7.240 7.240 6.878 0.362 19732 4333 1 8 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.559 -0.260 19732 4334 1 8 . 1 1 100 100 PRO C C 100 176.200 176.200 175.572 0.628 19732 4335 1 8 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.352 0.652 19732 4336 1 8 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.610 1.198 19732 4337 1 9 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.712 -0.302 19732 4338 1 9 . 1 1 2 2 PRO C C 2 176.929 176.929 176.090 0.839 19732 4339 1 9 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.575 0.565 19732 4340 1 9 . 1 1 2 2 PRO CB C 2 32.234 32.234 33.247 -1.013 19732 4341 1 9 . 1 1 3 3 LEU N N 3 121.746 121.746 119.225 2.521 19732 4342 1 9 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.360 -0.083 19732 4343 1 9 . 1 1 3 3 LEU C C 3 177.789 177.789 178.316 -0.527 19732 4344 1 9 . 1 1 3 3 LEU CA C 3 55.367 55.367 55.619 -0.252 19732 4345 1 9 . 1 1 3 3 LEU CB C 3 42.157 42.157 43.080 -0.923 19732 4346 1 9 . 1 1 3 3 LEU H H 3 8.420 8.420 9.464 -1.044 19732 4347 1 9 . 1 1 4 4 GLY N N 4 109.400 109.400 105.593 3.807 19732 4348 1 9 . 1 1 4 4 GLY C C 4 174.208 174.208 175.427 -1.219 19732 4349 1 9 . 1 1 4 4 GLY CA C 4 45.255 45.255 46.978 -1.723 19732 4350 1 9 . 1 1 4 4 GLY H H 4 8.326 8.326 9.050 -0.724 19732 4351 1 9 . 1 1 5 5 SER N N 5 115.339 115.339 115.723 -0.384 19732 4352 1 9 . 1 1 5 5 SER HA H 5 4.363 4.363 4.130 0.233 19732 4353 1 9 . 1 1 5 5 SER C C 5 174.549 174.549 174.834 -0.285 19732 4354 1 9 . 1 1 5 5 SER CA C 5 58.443 58.443 59.988 -1.545 19732 4355 1 9 . 1 1 5 5 SER CB C 5 63.773 63.773 62.346 1.427 19732 4356 1 9 . 1 1 5 5 SER H H 5 8.098 8.098 8.153 -0.055 19732 4357 1 9 . 1 1 6 6 MET N N 6 121.404 121.404 117.340 4.064 19732 4358 1 9 . 1 1 6 6 MET HA H 6 4.427 4.427 4.338 0.089 19732 4359 1 9 . 1 1 6 6 MET C C 6 175.724 175.724 175.052 0.672 19732 4360 1 9 . 1 1 6 6 MET CA C 6 55.612 55.612 56.768 -1.156 19732 4361 1 9 . 1 1 6 6 MET CB C 6 32.874 32.874 31.866 1.008 19732 4362 1 9 . 1 1 6 6 MET H H 6 8.326 8.326 8.040 0.286 19732 4363 1 9 . 1 1 7 7 ASP N N 7 120.769 120.769 117.265 3.504 19732 4364 1 9 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.783 -0.266 19732 4365 1 9 . 1 1 7 7 ASP C C 7 176.111 176.111 175.901 0.210 19732 4366 1 9 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.495 -0.359 19732 4367 1 9 . 1 1 7 7 ASP CB C 7 41.285 41.285 42.247 -0.962 19732 4368 1 9 . 1 1 7 7 ASP H H 7 8.114 8.114 7.880 0.234 19732 4369 1 9 . 1 1 8 8 ALA N N 8 123.543 123.543 123.023 0.520 19732 4370 1 9 . 1 1 8 8 ALA HA H 8 4.059 4.059 3.986 0.073 19732 4371 1 9 . 1 1 8 8 ALA C C 8 178.788 178.788 178.372 0.416 19732 4372 1 9 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.944 -1.013 19732 4373 1 9 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.811 0.115 19732 4374 1 9 . 1 1 8 8 ALA H H 8 8.248 8.248 8.275 -0.027 19732 4375 1 9 . 1 1 9 9 GLU N N 9 118.034 118.034 117.938 0.096 19732 4376 1 9 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.919 0.207 19732 4377 1 9 . 1 1 9 9 GLU C C 9 177.485 177.485 178.593 -1.108 19732 4378 1 9 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.138 -1.298 19732 4379 1 9 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.765 0.837 19732 4380 1 9 . 1 1 9 9 GLU H H 9 8.255 8.255 8.688 -0.433 19732 4381 1 9 . 1 1 10 10 SER N N 10 115.260 115.260 115.536 -0.276 19732 4382 1 9 . 1 1 10 10 SER HA H 10 4.232 4.232 4.286 -0.054 19732 4383 1 9 . 1 1 10 10 SER C C 10 175.552 175.552 175.344 0.208 19732 4384 1 9 . 1 1 10 10 SER CA C 10 60.015 60.015 60.511 -0.496 19732 4385 1 9 . 1 1 10 10 SER CB C 10 63.225 63.225 63.182 0.043 19732 4386 1 9 . 1 1 10 10 SER H H 10 7.992 7.992 7.919 0.073 19732 4387 1 9 . 1 1 11 11 ILE N N 11 121.199 121.199 120.521 0.678 19732 4388 1 9 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.009 -0.119 19732 4389 1 9 . 1 1 11 11 ILE C C 11 176.411 176.411 177.446 -1.035 19732 4390 1 9 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.058 -0.308 19732 4391 1 9 . 1 1 11 11 ILE CB C 11 38.273 38.273 37.850 0.423 19732 4392 1 9 . 1 1 11 11 ILE H H 11 7.729 7.729 7.427 0.302 19732 4393 1 9 . 1 1 12 12 ARG N N 12 121.248 121.248 117.009 4.239 19732 4394 1 9 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.470 -0.357 19732 4395 1 9 . 1 1 12 12 ARG C C 12 176.970 176.970 176.658 0.312 19732 4396 1 9 . 1 1 12 12 ARG CA C 12 57.077 57.077 55.358 1.720 19732 4397 1 9 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.960 -1.464 19732 4398 1 9 . 1 1 12 12 ARG H H 12 7.853 7.853 7.630 0.223 19732 4399 1 9 . 1 1 13 13 LEU N N 13 120.701 120.701 121.430 -0.729 19732 4400 1 9 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.048 0.170 19732 4401 1 9 . 1 1 13 13 LEU C C 13 177.620 177.620 176.326 1.294 19732 4402 1 9 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.181 0.116 19732 4403 1 9 . 1 1 13 13 LEU CB C 13 42.174 42.174 39.728 2.446 19732 4404 1 9 . 1 1 13 13 LEU H H 13 8.020 8.020 8.086 -0.066 19732 4405 1 9 . 1 1 16 16 GLU N N 16 120.417 120.417 120.638 -0.221 19732 4406 1 9 . 1 1 16 16 GLU HA H 16 4.125 4.125 3.961 0.164 19732 4407 1 9 . 1 1 16 16 GLU C C 16 178.929 178.929 177.969 0.960 19732 4408 1 9 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.696 -0.091 19732 4409 1 9 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.597 -0.206 19732 4410 1 9 . 1 1 16 16 GLU H H 16 8.465 8.465 8.805 -0.340 19732 4411 1 9 . 1 1 17 17 ASN N N 17 118.855 118.855 118.372 0.483 19732 4412 1 9 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.577 0.042 19732 4413 1 9 . 1 1 17 17 ASN C C 17 177.835 177.835 177.736 0.099 19732 4414 1 9 . 1 1 17 17 ASN CA C 17 55.538 55.538 55.753 -0.215 19732 4415 1 9 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.172 0.039 19732 4416 1 9 . 1 1 17 17 ASN H H 17 8.428 8.428 8.247 0.181 19732 4417 1 9 . 1 1 18 18 LEU N N 18 123.972 123.972 119.412 4.560 19732 4418 1 9 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.334 -0.114 19732 4419 1 9 . 1 1 18 18 LEU C C 18 178.248 178.248 178.469 -0.221 19732 4420 1 9 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.846 0.039 19732 4421 1 9 . 1 1 18 18 LEU CB C 18 41.697 41.697 40.036 1.661 19732 4422 1 9 . 1 1 18 18 LEU H H 18 8.208 8.208 8.361 -0.153 19732 4423 1 9 . 1 1 19 19 TRP N N 19 119.362 119.362 122.129 -2.767 19732 4424 1 9 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.418 -0.252 19732 4425 1 9 . 1 1 19 19 TRP C C 19 177.617 177.617 177.090 0.527 19732 4426 1 9 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.218 0.678 19732 4427 1 9 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.660 -0.233 19732 4428 1 9 . 1 1 19 19 TRP H H 19 8.316 8.316 8.224 0.092 19732 4429 1 9 . 1 1 20 20 ALA N N 20 118.581 118.581 122.071 -3.490 19732 4430 1 9 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.974 0.076 19732 4431 1 9 . 1 1 20 20 ALA C C 20 180.422 180.422 179.115 1.307 19732 4432 1 9 . 1 1 20 20 ALA CA C 20 55.164 55.164 54.891 0.273 19732 4433 1 9 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.773 0.267 19732 4434 1 9 . 1 1 20 20 ALA H H 20 7.957 7.957 7.565 0.392 19732 4435 1 9 . 1 1 21 21 TRP N N 21 119.753 119.753 121.274 -1.521 19732 4436 1 9 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.246 -0.353 19732 4437 1 9 . 1 1 21 21 TRP C C 21 177.494 177.494 177.542 -0.048 19732 4438 1 9 . 1 1 21 21 TRP CA C 21 62.098 62.098 61.304 0.793 19732 4439 1 9 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.615 -0.972 19732 4440 1 9 . 1 1 21 21 TRP H H 21 8.043 8.043 7.581 0.462 19732 4441 1 9 . 1 1 22 22 LEU N N 22 122.136 122.136 120.487 1.649 19732 4442 1 9 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.653 -0.214 19732 4443 1 9 . 1 1 22 22 LEU C C 22 178.075 178.075 178.607 -0.532 19732 4444 1 9 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.040 -0.285 19732 4445 1 9 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.038 0.932 19732 4446 1 9 . 1 1 22 22 LEU H H 22 8.553 8.553 7.928 0.625 19732 4447 1 9 . 1 1 23 23 VAL N N 23 118.034 118.034 117.852 0.182 19732 4448 1 9 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.334 -0.021 19732 4449 1 9 . 1 1 23 23 VAL C C 23 178.401 178.401 178.255 0.146 19732 4450 1 9 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.328 0.796 19732 4451 1 9 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.663 0.637 19732 4452 1 9 . 1 1 23 23 VAL H H 23 8.341 8.341 8.009 0.332 19732 4453 1 9 . 1 1 24 24 ARG N N 24 120.377 120.377 117.239 3.138 19732 4454 1 9 . 1 1 24 24 ARG HA H 24 3.814 3.814 4.083 -0.269 19732 4455 1 9 . 1 1 24 24 ARG C C 24 179.205 179.205 179.055 0.150 19732 4456 1 9 . 1 1 24 24 ARG CA C 24 60.104 60.104 57.199 2.905 19732 4457 1 9 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.450 0.586 19732 4458 1 9 . 1 1 24 24 ARG H H 24 7.856 7.856 7.440 0.416 19732 4459 1 9 . 1 1 25 25 LEU N N 25 121.668 121.668 122.678 -1.010 19732 4460 1 9 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.872 -0.209 19732 4461 1 9 . 1 1 25 25 LEU C C 25 179.943 179.943 178.626 1.317 19732 4462 1 9 . 1 1 25 25 LEU CA C 25 58.048 58.048 56.997 1.051 19732 4463 1 9 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.377 0.651 19732 4464 1 9 . 1 1 25 25 LEU H H 25 7.838 7.838 8.230 -0.392 19732 4465 1 9 . 1 1 26 26 LEU N N 26 118.308 118.308 117.911 0.397 19732 4466 1 9 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.011 -0.100 19732 4467 1 9 . 1 1 26 26 LEU C C 26 179.471 179.471 179.118 0.353 19732 4468 1 9 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.504 -0.031 19732 4469 1 9 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.979 0.050 19732 4470 1 9 . 1 1 26 26 LEU H H 26 8.247 8.247 8.435 -0.188 19732 4471 1 9 . 1 1 27 27 SER N N 27 115.768 115.768 114.000 1.768 19732 4472 1 9 . 1 1 27 27 SER HA H 27 4.020 4.020 4.231 -0.211 19732 4473 1 9 . 1 1 27 27 SER C C 27 174.990 174.990 175.159 -0.169 19732 4474 1 9 . 1 1 27 27 SER CA C 27 61.755 61.755 60.612 1.143 19732 4475 1 9 . 1 1 27 27 SER CB C 27 62.755 62.755 62.602 0.153 19732 4476 1 9 . 1 1 27 27 SER H H 27 8.436 8.436 7.817 0.619 19732 4477 1 9 . 1 1 28 28 LYS N N 28 117.644 117.644 117.797 -0.153 19732 4478 1 9 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.350 -0.036 19732 4479 1 9 . 1 1 28 28 LYS C C 28 175.979 175.979 176.267 -0.288 19732 4480 1 9 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.210 -0.023 19732 4481 1 9 . 1 1 28 28 LYS CB C 28 32.791 32.791 33.139 -0.348 19732 4482 1 9 . 1 1 28 28 LYS H H 28 7.014 7.014 7.409 -0.395 19732 4483 1 9 . 1 1 29 29 ASN N N 29 118.347 118.347 118.256 0.091 19732 4484 1 9 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.209 0.073 19732 4485 1 9 . 1 1 29 29 ASN C C 29 171.835 171.835 173.362 -1.527 19732 4486 1 9 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.264 1.062 19732 4487 1 9 . 1 1 29 29 ASN CB C 29 41.626 41.626 38.917 2.709 19732 4488 1 9 . 1 1 29 29 ASN H H 29 7.611 7.611 7.771 -0.160 19732 4489 1 9 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.375 0.076 19732 4490 1 9 . 1 1 30 30 PRO C C 30 179.560 179.560 178.047 1.513 19732 4491 1 9 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.958 0.911 19732 4492 1 9 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.976 -0.574 19732 4493 1 9 . 1 1 31 31 GLU N N 31 119.636 119.636 118.595 1.041 19732 4494 1 9 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.107 0.019 19732 4495 1 9 . 1 1 31 31 GLU C C 31 179.253 179.253 178.808 0.445 19732 4496 1 9 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.839 -0.167 19732 4497 1 9 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.526 -0.161 19732 4498 1 9 . 1 1 31 31 GLU H H 31 8.593 8.593 8.831 -0.238 19732 4499 1 9 . 1 1 32 32 TRP N N 32 122.293 122.293 122.345 -0.052 19732 4500 1 9 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.430 -0.397 19732 4501 1 9 . 1 1 32 32 TRP C C 32 178.055 178.055 178.096 -0.041 19732 4502 1 9 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.044 0.812 19732 4503 1 9 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.796 -0.680 19732 4504 1 9 . 1 1 32 32 TRP H H 32 7.933 7.933 7.535 0.398 19732 4505 1 9 . 1 1 33 33 LEU N N 33 117.409 117.409 120.093 -2.684 19732 4506 1 9 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.883 0.007 19732 4507 1 9 . 1 1 33 33 LEU C C 33 177.934 177.934 178.975 -1.041 19732 4508 1 9 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.200 -0.022 19732 4509 1 9 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.334 0.224 19732 4510 1 9 . 1 1 33 33 LEU H H 33 8.012 8.012 8.272 -0.260 19732 4511 1 9 . 1 1 34 34 SER N N 34 113.257 113.257 115.003 -1.746 19732 4512 1 9 . 1 1 34 34 SER HA H 34 3.975 3.975 4.069 -0.094 19732 4513 1 9 . 1 1 34 34 SER C C 34 176.363 176.363 176.088 0.275 19732 4514 1 9 . 1 1 34 34 SER CA C 34 62.194 62.194 62.081 0.113 19732 4515 1 9 . 1 1 34 34 SER CB C 34 62.739 62.739 62.545 0.194 19732 4516 1 9 . 1 1 34 34 SER H H 34 8.335 8.335 8.283 0.052 19732 4517 1 9 . 1 1 35 35 ALA N N 35 121.511 121.511 123.813 -2.302 19732 4518 1 9 . 1 1 35 35 ALA HA H 35 3.957 3.957 4.089 -0.132 19732 4519 1 9 . 1 1 35 35 ALA C C 35 180.728 180.728 179.173 1.555 19732 4520 1 9 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.569 0.320 19732 4521 1 9 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.096 -0.321 19732 4522 1 9 . 1 1 35 35 ALA H H 35 7.391 7.391 7.263 0.128 19732 4523 1 9 . 1 1 36 36 LYS N N 36 118.386 118.386 117.886 0.500 19732 4524 1 9 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.123 -0.289 19732 4525 1 9 . 1 1 36 36 LYS C C 36 179.578 179.578 179.059 0.519 19732 4526 1 9 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.406 -0.809 19732 4527 1 9 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.248 -1.765 19732 4528 1 9 . 1 1 36 36 LYS H H 36 7.823 7.823 7.265 0.558 19732 4529 1 9 . 1 1 37 37 LEU N N 37 119.480 119.480 119.565 -0.085 19732 4530 1 9 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.051 -0.161 19732 4531 1 9 . 1 1 37 37 LEU C C 37 178.529 178.529 178.572 -0.043 19732 4532 1 9 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.534 0.113 19732 4533 1 9 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.373 -0.225 19732 4534 1 9 . 1 1 37 37 LEU H H 37 8.725 8.725 8.573 0.152 19732 4535 1 9 . 1 1 38 38 ARG N N 38 115.612 115.612 116.810 -1.198 19732 4536 1 9 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.025 -0.028 19732 4537 1 9 . 1 1 38 38 ARG C C 38 177.661 177.661 177.649 0.012 19732 4538 1 9 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.203 0.309 19732 4539 1 9 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.119 0.816 19732 4540 1 9 . 1 1 38 38 ARG H H 38 7.446 7.446 8.005 -0.559 19732 4541 1 9 . 1 1 39 39 SER N N 39 111.883 111.883 113.591 -1.708 19732 4542 1 9 . 1 1 39 39 SER HA H 39 4.160 4.160 4.184 -0.024 19732 4543 1 9 . 1 1 39 39 SER C C 39 175.401 175.401 175.256 0.145 19732 4544 1 9 . 1 1 39 39 SER CA C 39 60.359 60.359 59.943 0.416 19732 4545 1 9 . 1 1 39 39 SER CB C 39 63.228 63.228 63.016 0.212 19732 4546 1 9 . 1 1 39 39 SER H H 39 7.353 7.353 7.747 -0.394 19732 4547 1 9 . 1 1 40 40 PHE N N 40 117.136 117.136 118.423 -1.287 19732 4548 1 9 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.445 0.169 19732 4549 1 9 . 1 1 40 40 PHE C C 40 175.852 175.852 176.323 -0.471 19732 4550 1 9 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.857 -0.147 19732 4551 1 9 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.533 2.160 19732 4552 1 9 . 1 1 40 40 PHE H H 40 7.792 7.792 7.103 0.689 19732 4553 1 9 . 1 1 41 41 LEU N N 41 119.050 119.050 119.494 -0.444 19732 4554 1 9 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.504 0.373 19732 4555 1 9 . 1 1 41 41 LEU C C 41 174.510 174.510 175.955 -1.445 19732 4556 1 9 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.843 -0.751 19732 4557 1 9 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.540 0.497 19732 4558 1 9 . 1 1 41 41 LEU H H 41 8.114 8.114 8.194 -0.080 19732 4559 1 9 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.351 -0.049 19732 4560 1 9 . 1 1 42 42 PRO C C 42 177.620 177.620 177.271 0.349 19732 4561 1 9 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.908 -1.137 19732 4562 1 9 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.002 -0.321 19732 4563 1 9 . 1 1 43 43 THR N N 43 109.752 109.752 107.227 2.525 19732 4564 1 9 . 1 1 43 43 THR HA H 43 4.256 4.256 4.339 -0.083 19732 4565 1 9 . 1 1 43 43 THR C C 43 174.467 174.467 173.810 0.657 19732 4566 1 9 . 1 1 43 43 THR CA C 43 61.657 61.657 60.768 0.889 19732 4567 1 9 . 1 1 43 43 THR CB C 43 69.450 69.450 69.249 0.201 19732 4568 1 9 . 1 1 43 43 THR H H 43 7.671 7.671 7.945 -0.274 19732 4569 1 9 . 1 1 44 44 MET N N 44 121.568 121.568 119.625 1.943 19732 4570 1 9 . 1 1 44 44 MET HA H 44 4.363 4.363 4.222 0.141 19732 4571 1 9 . 1 1 44 44 MET C C 44 175.373 175.373 175.722 -0.349 19732 4572 1 9 . 1 1 44 44 MET CA C 44 55.710 55.710 55.915 -0.205 19732 4573 1 9 . 1 1 44 44 MET CB C 44 32.989 32.989 31.507 1.482 19732 4574 1 9 . 1 1 44 44 MET H H 44 8.037 8.037 7.670 0.367 19732 4575 1 9 . 1 1 45 45 ASP N N 45 121.980 121.980 121.594 0.386 19732 4576 1 9 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.749 -0.228 19732 4577 1 9 . 1 1 45 45 ASP C C 45 176.022 176.022 175.561 0.461 19732 4578 1 9 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.072 1.298 19732 4579 1 9 . 1 1 45 45 ASP CB C 45 41.147 41.147 39.723 1.424 19732 4580 1 9 . 1 1 45 45 ASP H H 45 8.230 8.230 8.816 -0.586 19732 4581 1 9 . 1 1 46 46 LEU N N 46 122.192 122.192 114.979 7.213 19732 4582 1 9 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.591 -0.447 19732 4583 1 9 . 1 1 46 46 LEU C C 46 177.018 177.018 177.337 -0.319 19732 4584 1 9 . 1 1 46 46 LEU CA C 46 55.913 55.913 54.847 1.065 19732 4585 1 9 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.214 -0.038 19732 4586 1 9 . 1 1 46 46 LEU H H 46 8.028 8.028 7.353 0.675 19732 4587 1 9 . 1 1 47 47 ASP N N 47 120.573 120.573 121.567 -0.994 19732 4588 1 9 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.581 -0.056 19732 4589 1 9 . 1 1 47 47 ASP C C 47 176.370 176.370 176.358 0.012 19732 4590 1 9 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.901 -0.694 19732 4591 1 9 . 1 1 47 47 ASP CB C 47 41.154 41.154 39.226 1.928 19732 4592 1 9 . 1 1 47 47 ASP H H 47 8.238 8.238 8.304 -0.066 19732 4593 1 9 . 1 1 48 48 CYS N N 48 118.464 118.464 118.470 -0.006 19732 4594 1 9 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.239 0.190 19732 4595 1 9 . 1 1 48 48 CYS C C 48 174.340 174.340 174.815 -0.475 19732 4596 1 9 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.729 -0.216 19732 4597 1 9 . 1 1 48 48 CYS CB C 48 27.953 27.953 28.011 -0.058 19732 4598 1 9 . 1 1 48 48 CYS H H 48 8.068 8.068 7.857 0.211 19732 4599 1 9 . 1 1 49 49 SER N N 49 116.784 116.784 116.534 0.250 19732 4600 1 9 . 1 1 49 49 SER HA H 49 4.302 4.302 4.292 0.010 19732 4601 1 9 . 1 1 49 49 SER C C 49 173.897 173.897 174.220 -0.323 19732 4602 1 9 . 1 1 49 49 SER CA C 49 58.718 58.718 58.361 0.357 19732 4603 1 9 . 1 1 49 49 SER CB C 49 63.636 63.636 61.438 2.198 19732 4604 1 9 . 1 1 49 49 SER H H 49 8.185 8.185 8.076 0.109 19732 4605 1 9 . 1 1 50 50 TYR N N 50 120.886 120.886 119.773 1.113 19732 4606 1 9 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.548 -0.036 19732 4607 1 9 . 1 1 50 50 TYR C C 50 174.818 174.818 176.423 -1.605 19732 4608 1 9 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.317 -0.831 19732 4609 1 9 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.134 0.662 19732 4610 1 9 . 1 1 50 50 TYR H H 50 7.776 7.776 7.395 0.381 19732 4611 1 9 . 1 1 51 51 GLU N N 51 122.800 122.800 119.263 3.537 19732 4612 1 9 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.851 -0.296 19732 4613 1 9 . 1 1 51 51 GLU C C 51 174.508 174.508 174.316 0.192 19732 4614 1 9 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.046 0.882 19732 4615 1 9 . 1 1 51 51 GLU CB C 51 30.225 30.225 30.977 -0.752 19732 4616 1 9 . 1 1 51 51 GLU H H 51 8.026 8.026 7.964 0.062 19732 4617 1 9 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.475 -0.173 19732 4618 1 9 . 1 1 52 52 PRO C C 52 176.065 176.065 177.370 -1.305 19732 4619 1 9 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.655 1.029 19732 4620 1 9 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.224 -0.661 19732 4621 1 9 . 1 1 53 53 SER N N 53 110.611 110.611 115.503 -4.892 19732 4622 1 9 . 1 1 53 53 SER HA H 53 4.302 4.302 4.348 -0.046 19732 4623 1 9 . 1 1 53 53 SER C C 53 173.858 173.858 173.896 -0.038 19732 4624 1 9 . 1 1 53 53 SER CA C 53 58.508 58.508 58.215 0.293 19732 4625 1 9 . 1 1 53 53 SER CB C 53 63.636 63.636 61.014 2.622 19732 4626 1 9 . 1 1 53 53 SER H H 53 7.934 7.934 8.536 -0.602 19732 4627 1 9 . 1 1 54 54 ASN N N 54 121.155 121.155 122.119 -0.964 19732 4628 1 9 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.802 0.076 19732 4629 1 9 . 1 1 54 54 ASN C C 54 174.167 174.167 175.301 -1.134 19732 4630 1 9 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.653 -1.182 19732 4631 1 9 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.435 0.569 19732 4632 1 9 . 1 1 54 54 ASN H H 54 7.666 7.666 7.863 -0.197 19732 4633 1 9 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.263 -0.234 19732 4634 1 9 . 1 1 55 55 PRO C C 55 177.787 177.787 178.580 -0.793 19732 4635 1 9 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.761 -0.175 19732 4636 1 9 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.089 0.274 19732 4637 1 9 . 1 1 56 56 GLU N N 56 117.292 117.292 118.525 -1.233 19732 4638 1 9 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.165 -0.095 19732 4639 1 9 . 1 1 56 56 GLU C C 56 179.258 179.258 179.191 0.067 19732 4640 1 9 . 1 1 56 56 GLU CA C 56 59.472 59.472 60.077 -0.605 19732 4641 1 9 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.371 0.753 19732 4642 1 9 . 1 1 56 56 GLU H H 56 8.153 8.153 8.805 -0.652 19732 4643 1 9 . 1 1 57 57 VAL N N 57 120.730 120.730 120.538 0.192 19732 4644 1 9 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.815 -0.247 19732 4645 1 9 . 1 1 57 57 VAL C C 57 178.039 178.039 178.066 -0.027 19732 4646 1 9 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.388 -0.423 19732 4647 1 9 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.558 0.427 19732 4648 1 9 . 1 1 57 57 VAL H H 57 7.556 7.556 7.826 -0.270 19732 4649 1 9 . 1 1 58 58 ILE N N 58 119.892 119.892 119.377 0.515 19732 4650 1 9 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.642 0.068 19732 4651 1 9 . 1 1 58 58 ILE C C 58 178.096 178.096 177.775 0.321 19732 4652 1 9 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.283 0.929 19732 4653 1 9 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.509 0.809 19732 4654 1 9 . 1 1 58 58 ILE H H 58 7.784 7.784 8.474 -0.690 19732 4655 1 9 . 1 1 59 59 HIS N N 59 117.644 117.644 119.806 -2.162 19732 4656 1 9 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.394 -0.247 19732 4657 1 9 . 1 1 59 59 HIS C C 59 177.576 177.576 177.772 -0.196 19732 4658 1 9 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.823 -0.328 19732 4659 1 9 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.379 -0.100 19732 4660 1 9 . 1 1 59 59 HIS H H 59 8.350 8.350 8.640 -0.290 19732 4661 1 9 . 1 1 60 60 ARG N N 60 118.248 118.248 118.962 -0.714 19732 4662 1 9 . 1 1 60 60 ARG HA H 60 4.046 4.046 4.055 -0.009 19732 4663 1 9 . 1 1 60 60 ARG C C 60 179.642 179.642 178.521 1.121 19732 4664 1 9 . 1 1 60 60 ARG CA C 60 59.946 59.946 60.196 -0.250 19732 4665 1 9 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.084 0.223 19732 4666 1 9 . 1 1 60 60 ARG H H 60 7.776 7.776 8.144 -0.368 19732 4667 1 9 . 1 1 61 61 GLN N N 61 119.475 119.475 118.614 0.861 19732 4668 1 9 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.070 -0.004 19732 4669 1 9 . 1 1 61 61 GLN C C 61 178.650 178.650 178.651 -0.001 19732 4670 1 9 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.852 0.173 19732 4671 1 9 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.613 -0.461 19732 4672 1 9 . 1 1 61 61 GLN H H 61 8.460 8.460 7.600 0.860 19732 4673 1 9 . 1 1 62 62 LEU N N 62 117.882 117.882 119.527 -1.645 19732 4674 1 9 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.256 -0.128 19732 4675 1 9 . 1 1 62 62 LEU C C 62 179.260 179.260 178.720 0.540 19732 4676 1 9 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.972 1.023 19732 4677 1 9 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.138 0.493 19732 4678 1 9 . 1 1 62 62 LEU H H 62 8.742 8.742 8.198 0.544 19732 4679 1 9 . 1 1 63 63 ASN N N 63 117.409 117.409 118.832 -1.423 19732 4680 1 9 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.151 0.079 19732 4681 1 9 . 1 1 63 63 ASN C C 63 178.050 178.050 177.706 0.344 19732 4682 1 9 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.508 0.157 19732 4683 1 9 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.552 0.126 19732 4684 1 9 . 1 1 63 63 ASN H H 63 8.279 8.279 8.407 -0.128 19732 4685 1 9 . 1 1 64 64 ARG N N 64 119.753 119.753 119.106 0.647 19732 4686 1 9 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.071 -0.029 19732 4687 1 9 . 1 1 64 64 ARG C C 64 178.914 178.914 178.845 0.069 19732 4688 1 9 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.459 0.401 19732 4689 1 9 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.744 0.024 19732 4690 1 9 . 1 1 64 64 ARG H H 64 7.784 7.784 7.900 -0.116 19732 4691 1 9 . 1 1 65 65 LEU N N 65 120.009 120.009 119.258 0.751 19732 4692 1 9 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.003 -0.064 19732 4693 1 9 . 1 1 65 65 LEU C C 65 178.481 178.481 178.884 -0.403 19732 4694 1 9 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.527 0.780 19732 4695 1 9 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.597 0.860 19732 4696 1 9 . 1 1 65 65 LEU H H 65 7.779 7.779 7.349 0.430 19732 4697 1 9 . 1 1 66 66 PHE N N 66 118.503 118.503 119.888 -1.385 19732 4698 1 9 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.554 -0.579 19732 4699 1 9 . 1 1 66 66 PHE C C 66 178.269 178.269 176.265 2.004 19732 4700 1 9 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.814 1.023 19732 4701 1 9 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.247 -0.496 19732 4702 1 9 . 1 1 66 66 PHE H H 66 8.287 8.287 7.857 0.430 19732 4703 1 9 . 1 1 67 67 ALA N N 67 119.206 119.206 120.346 -1.140 19732 4704 1 9 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.008 -0.109 19732 4705 1 9 . 1 1 67 67 ALA C C 67 178.876 178.876 179.442 -0.566 19732 4706 1 9 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.839 -0.181 19732 4707 1 9 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.702 -0.661 19732 4708 1 9 . 1 1 67 67 ALA H H 67 7.902 7.902 7.786 0.116 19732 4709 1 9 . 1 1 68 68 GLN N N 68 115.534 115.534 116.604 -1.070 19732 4710 1 9 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.239 -0.124 19732 4711 1 9 . 1 1 68 68 GLN C C 68 177.274 177.274 176.932 0.342 19732 4712 1 9 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.273 0.123 19732 4713 1 9 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.706 -0.865 19732 4714 1 9 . 1 1 68 68 GLN H H 68 7.572 7.572 7.739 -0.167 19732 4715 1 9 . 1 1 69 69 GLY N N 69 106.861 106.861 104.447 2.414 19732 4716 1 9 . 1 1 69 69 GLY C C 69 173.690 173.690 173.438 0.252 19732 4717 1 9 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.793 -0.906 19732 4718 1 9 . 1 1 69 69 GLY H H 69 7.486 7.486 7.498 -0.012 19732 4719 1 9 . 1 1 70 70 MET N N 70 119.355 119.355 119.356 -0.001 19732 4720 1 9 . 1 1 70 70 MET HA H 70 4.117 4.117 4.245 -0.128 19732 4721 1 9 . 1 1 70 70 MET C C 70 177.743 177.743 177.214 0.529 19732 4722 1 9 . 1 1 70 70 MET CA C 70 57.396 57.396 58.584 -1.188 19732 4723 1 9 . 1 1 70 70 MET CB C 70 30.638 30.638 32.597 -1.959 19732 4724 1 9 . 1 1 70 70 MET H H 70 8.245 8.245 8.491 -0.246 19732 4725 1 9 . 1 1 71 71 ALA N N 71 120.691 120.691 122.539 -1.848 19732 4726 1 9 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.153 -0.090 19732 4727 1 9 . 1 1 71 71 ALA C C 71 181.027 181.027 179.717 1.310 19732 4728 1 9 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.829 0.813 19732 4729 1 9 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.996 -0.431 19732 4730 1 9 . 1 1 71 71 ALA H H 71 8.624 8.624 8.396 0.228 19732 4731 1 9 . 1 1 72 72 THR N N 72 116.354 116.354 115.845 0.509 19732 4732 1 9 . 1 1 72 72 THR HA H 72 3.825 3.825 3.995 -0.170 19732 4733 1 9 . 1 1 72 72 THR C C 72 174.861 174.861 176.500 -1.639 19732 4734 1 9 . 1 1 72 72 THR CA C 72 66.992 66.992 66.447 0.545 19732 4735 1 9 . 1 1 72 72 THR CB C 72 68.355 68.355 68.608 -0.252 19732 4736 1 9 . 1 1 72 72 THR H H 72 7.525 7.525 7.849 -0.324 19732 4737 1 9 . 1 1 73 73 TRP N N 73 122.292 122.292 123.289 -0.997 19732 4738 1 9 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.256 0.075 19732 4739 1 9 . 1 1 73 73 TRP C C 73 176.757 176.757 177.499 -0.742 19732 4740 1 9 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.179 -0.620 19732 4741 1 9 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.904 0.452 19732 4742 1 9 . 1 1 73 73 TRP H H 73 8.090 8.090 8.556 -0.466 19732 4743 1 9 . 1 1 74 74 LYS N N 74 115.768 115.768 118.883 -3.115 19732 4744 1 9 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.993 -0.254 19732 4745 1 9 . 1 1 74 74 LYS C C 74 178.957 178.957 179.105 -0.148 19732 4746 1 9 . 1 1 74 74 LYS CA C 74 60.433 60.433 59.526 0.907 19732 4747 1 9 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.237 0.085 19732 4748 1 9 . 1 1 74 74 LYS H H 74 9.001 9.001 7.733 1.268 19732 4749 1 9 . 1 1 75 75 SER N N 75 115.378 115.378 116.900 -1.522 19732 4750 1 9 . 1 1 75 75 SER HA H 75 4.211 4.211 4.281 -0.070 19732 4751 1 9 . 1 1 75 75 SER C C 75 175.465 175.465 176.526 -1.061 19732 4752 1 9 . 1 1 75 75 SER CA C 75 61.999 61.999 62.353 -0.354 19732 4753 1 9 . 1 1 75 75 SER CB C 75 63.160 63.160 63.405 -0.245 19732 4754 1 9 . 1 1 75 75 SER H H 75 7.604 7.604 8.242 -0.638 19732 4755 1 9 . 1 1 76 76 PHE N N 76 121.707 121.707 123.769 -2.062 19732 4756 1 9 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.225 -0.209 19732 4757 1 9 . 1 1 76 76 PHE C C 76 175.983 175.983 176.994 -1.011 19732 4758 1 9 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.281 0.201 19732 4759 1 9 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.855 -0.576 19732 4760 1 9 . 1 1 76 76 PHE H H 76 8.200 8.200 8.433 -0.233 19732 4761 1 9 . 1 1 77 77 ILE N N 77 117.448 117.448 118.472 -1.024 19732 4762 1 9 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.238 0.093 19732 4763 1 9 . 1 1 77 77 ILE C C 77 177.919 177.919 177.791 0.128 19732 4764 1 9 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.514 -3.020 19732 4765 1 9 . 1 1 77 77 ILE CB C 77 34.722 34.722 35.999 -1.277 19732 4766 1 9 . 1 1 77 77 ILE H H 77 8.193 8.193 8.342 -0.149 19732 4767 1 9 . 1 1 78 78 ASN N N 78 119.831 119.831 118.987 0.844 19732 4768 1 9 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.418 -0.200 19732 4769 1 9 . 1 1 78 78 ASN C C 78 177.228 177.228 177.806 -0.578 19732 4770 1 9 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.961 0.830 19732 4771 1 9 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.399 0.905 19732 4772 1 9 . 1 1 78 78 ASN H H 78 8.224 8.224 7.855 0.369 19732 4773 1 9 . 1 1 79 79 ASP N N 79 119.402 119.402 121.673 -2.271 19732 4774 1 9 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.496 -0.007 19732 4775 1 9 . 1 1 79 79 ASP C C 79 177.600 177.600 178.067 -0.467 19732 4776 1 9 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.571 0.004 19732 4777 1 9 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.865 -0.948 19732 4778 1 9 . 1 1 79 79 ASP H H 79 8.028 8.028 7.645 0.383 19732 4779 1 9 . 1 1 80 80 LEU N N 80 122.293 122.293 122.223 0.070 19732 4780 1 9 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.738 -0.250 19732 4781 1 9 . 1 1 80 80 LEU C C 80 178.561 178.561 178.141 0.420 19732 4782 1 9 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.323 1.009 19732 4783 1 9 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.383 0.997 19732 4784 1 9 . 1 1 80 80 LEU H H 80 8.491 8.491 8.226 0.265 19732 4785 1 9 . 1 1 81 81 CYS N N 81 114.479 114.479 116.193 -1.714 19732 4786 1 9 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.128 -0.197 19732 4787 1 9 . 1 1 81 81 CYS C C 81 176.754 176.754 176.644 0.110 19732 4788 1 9 . 1 1 81 81 CYS CA C 81 63.543 63.543 60.781 2.763 19732 4789 1 9 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.416 0.240 19732 4790 1 9 . 1 1 81 81 CYS H H 81 8.169 8.169 8.397 -0.228 19732 4791 1 9 . 1 1 82 82 PHE N N 82 115.964 115.964 122.207 -6.243 19732 4792 1 9 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.241 0.081 19732 4793 1 9 . 1 1 82 82 PHE C C 82 178.485 178.485 177.821 0.664 19732 4794 1 9 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.496 -0.620 19732 4795 1 9 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.535 0.297 19732 4796 1 9 . 1 1 82 82 PHE H H 82 7.863 7.863 7.468 0.395 19732 4797 1 9 . 1 1 83 83 GLU N N 83 116.314 116.314 118.939 -2.625 19732 4798 1 9 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.180 -0.135 19732 4799 1 9 . 1 1 83 83 GLU C C 83 177.877 177.877 178.038 -0.161 19732 4800 1 9 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.960 -0.215 19732 4801 1 9 . 1 1 83 83 GLU CB C 83 30.278 30.278 29.952 0.326 19732 4802 1 9 . 1 1 83 83 GLU H H 83 9.049 9.049 8.741 0.308 19732 4803 1 9 . 1 1 84 84 LEU N N 84 116.042 116.042 117.348 -1.306 19732 4804 1 9 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.182 0.055 19732 4805 1 9 . 1 1 84 84 LEU C C 84 175.868 175.868 177.235 -1.367 19732 4806 1 9 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.690 -1.033 19732 4807 1 9 . 1 1 84 84 LEU CB C 84 40.104 40.104 41.486 -1.382 19732 4808 1 9 . 1 1 84 84 LEU H H 84 7.713 7.713 7.380 0.333 19732 4809 1 9 . 1 1 85 85 ASP N N 85 116.940 116.940 116.643 0.297 19732 4810 1 9 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.047 0.203 19732 4811 1 9 . 1 1 85 85 ASP C C 85 174.424 174.424 175.472 -1.048 19732 4812 1 9 . 1 1 85 85 ASP CA C 85 54.685 54.685 56.404 -1.719 19732 4813 1 9 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.949 -1.128 19732 4814 1 9 . 1 1 85 85 ASP H H 85 7.164 7.164 7.845 -0.681 19732 4815 1 9 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.564 -0.158 19732 4816 1 9 . 1 1 87 87 PRO C C 87 177.572 177.572 176.715 0.857 19732 4817 1 9 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.776 0.383 19732 4818 1 9 . 1 1 87 87 PRO CB C 87 32.260 32.260 29.515 2.744 19732 4819 1 9 . 1 1 88 88 LEU N N 88 122.410 122.410 116.184 6.226 19732 4820 1 9 . 1 1 88 88 LEU HA H 88 3.931 3.931 3.884 0.047 19732 4821 1 9 . 1 1 88 88 LEU C C 88 179.214 179.214 177.149 2.065 19732 4822 1 9 . 1 1 88 88 LEU CA C 88 57.281 57.281 57.135 0.146 19732 4823 1 9 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.442 -0.362 19732 4824 1 9 . 1 1 88 88 LEU H H 88 8.271 8.271 7.573 0.698 19732 4825 1 9 . 1 1 91 91 GLU N N 91 121.224 121.224 122.157 -0.933 19732 4826 1 9 . 1 1 91 91 GLU HA H 91 3.537 3.537 3.905 -0.368 19732 4827 1 9 . 1 1 91 91 GLU C C 91 176.926 176.926 178.200 -1.274 19732 4828 1 9 . 1 1 91 91 GLU CA C 91 61.079 61.079 60.434 0.645 19732 4829 1 9 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.525 -0.040 19732 4830 1 9 . 1 1 91 91 GLU H H 91 7.775 7.775 8.469 -0.694 19732 4831 1 9 . 1 1 92 92 ILE N N 92 115.836 115.836 118.900 -3.064 19732 4832 1 9 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.018 -0.108 19732 4833 1 9 . 1 1 92 92 ILE C C 92 177.704 177.704 175.814 1.890 19732 4834 1 9 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.460 1.570 19732 4835 1 9 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.766 -0.315 19732 4836 1 9 . 1 1 92 92 ILE H H 92 8.259 8.259 8.526 -0.267 19732 4837 1 9 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.160 -0.043 19732 4838 1 9 . 1 1 93 93 PRO C C 93 178.653 178.653 178.141 0.512 19732 4839 1 9 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.037 -0.034 19732 4840 1 9 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.137 -0.001 19732 4841 1 9 . 1 1 94 94 LEU N N 94 114.952 114.952 116.129 -1.177 19732 4842 1 9 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.363 -0.237 19732 4843 1 9 . 1 1 94 94 LEU C C 94 180.119 180.119 179.838 0.281 19732 4844 1 9 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.431 0.354 19732 4845 1 9 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.231 1.529 19732 4846 1 9 . 1 1 94 94 LEU H H 94 7.657 7.657 7.934 -0.277 19732 4847 1 9 . 1 1 95 95 VAL N N 95 119.986 119.986 119.100 0.886 19732 4848 1 9 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.135 -0.127 19732 4849 1 9 . 1 1 95 95 VAL C C 95 177.559 177.559 177.941 -0.382 19732 4850 1 9 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.397 0.270 19732 4851 1 9 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.759 -0.045 19732 4852 1 9 . 1 1 95 95 VAL H H 95 8.873 8.873 8.386 0.487 19732 4853 1 9 . 1 1 96 96 SER N N 96 111.863 111.863 112.217 -0.354 19732 4854 1 9 . 1 1 96 96 SER HA H 96 4.598 4.598 4.520 0.078 19732 4855 1 9 . 1 1 96 96 SER C C 96 175.113 175.113 174.951 0.162 19732 4856 1 9 . 1 1 96 96 SER CA C 96 59.163 59.163 58.336 0.827 19732 4857 1 9 . 1 1 96 96 SER CB C 96 63.552 63.552 63.207 0.345 19732 4858 1 9 . 1 1 96 96 SER H H 96 7.823 7.823 8.357 -0.534 19732 4859 1 9 . 1 1 97 97 ILE N N 97 120.300 120.300 121.365 -1.065 19732 4860 1 9 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.643 0.176 19732 4861 1 9 . 1 1 97 97 ILE C C 97 174.601 174.601 175.733 -1.132 19732 4862 1 9 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.920 0.883 19732 4863 1 9 . 1 1 97 97 ILE CB C 97 39.059 39.059 37.790 1.269 19732 4864 1 9 . 1 1 97 97 ILE H H 97 7.014 7.014 7.301 -0.287 19732 4865 1 9 . 1 1 98 98 TRP N N 98 120.222 120.222 117.559 2.663 19732 4866 1 9 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.593 -0.531 19732 4867 1 9 . 1 1 98 98 TRP C C 98 176.502 176.502 174.987 1.515 19732 4868 1 9 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.188 2.602 19732 4869 1 9 . 1 1 98 98 TRP CB C 98 28.963 28.963 30.868 -1.905 19732 4870 1 9 . 1 1 98 98 TRP H H 98 7.651 7.651 7.245 0.406 19732 4871 1 9 . 1 1 99 99 GLY N N 99 109.003 109.003 107.419 1.584 19732 4872 1 9 . 1 1 99 99 GLY C C 99 170.846 170.846 173.303 -2.457 19732 4873 1 9 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.280 0.357 19732 4874 1 9 . 1 1 99 99 GLY H H 99 7.240 7.240 8.357 -1.117 19732 4875 1 9 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.645 -0.346 19732 4876 1 9 . 1 1 100 100 PRO C C 100 176.200 176.200 176.061 0.139 19732 4877 1 9 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.959 0.045 19732 4878 1 9 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.485 1.323 19732 4879 1 10 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.512 -0.102 19732 4880 1 10 . 1 1 2 2 PRO C C 2 176.929 176.929 175.793 1.136 19732 4881 1 10 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.583 -0.442 19732 4882 1 10 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.264 -0.029 19732 4883 1 10 . 1 1 3 3 LEU N N 3 121.746 121.746 122.588 -0.842 19732 4884 1 10 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.587 -0.310 19732 4885 1 10 . 1 1 3 3 LEU C C 3 177.789 177.789 178.280 -0.491 19732 4886 1 10 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.200 1.167 19732 4887 1 10 . 1 1 3 3 LEU CB C 3 42.157 42.157 43.819 -1.662 19732 4888 1 10 . 1 1 3 3 LEU H H 3 8.420 8.420 7.916 0.504 19732 4889 1 10 . 1 1 4 4 GLY N N 4 109.400 109.400 109.958 -0.558 19732 4890 1 10 . 1 1 4 4 GLY C C 4 174.208 174.208 174.971 -0.763 19732 4891 1 10 . 1 1 4 4 GLY CA C 4 45.255 45.255 46.101 -0.846 19732 4892 1 10 . 1 1 4 4 GLY H H 4 8.326 8.326 8.867 -0.541 19732 4893 1 10 . 1 1 5 5 SER N N 5 115.339 115.339 120.127 -4.788 19732 4894 1 10 . 1 1 5 5 SER HA H 5 4.363 4.363 4.640 -0.277 19732 4895 1 10 . 1 1 5 5 SER C C 5 174.549 174.549 174.093 0.456 19732 4896 1 10 . 1 1 5 5 SER CA C 5 58.443 58.443 58.365 0.078 19732 4897 1 10 . 1 1 5 5 SER CB C 5 63.773 63.773 64.392 -0.619 19732 4898 1 10 . 1 1 5 5 SER H H 5 8.098 8.098 8.166 -0.068 19732 4899 1 10 . 1 1 6 6 MET N N 6 121.404 121.404 123.508 -2.104 19732 4900 1 10 . 1 1 6 6 MET HA H 6 4.427 4.427 4.654 -0.227 19732 4901 1 10 . 1 1 6 6 MET C C 6 175.724 175.724 175.607 0.117 19732 4902 1 10 . 1 1 6 6 MET CA C 6 55.612 55.612 55.263 0.349 19732 4903 1 10 . 1 1 6 6 MET CB C 6 32.874 32.874 34.020 -1.146 19732 4904 1 10 . 1 1 6 6 MET H H 6 8.326 8.326 8.623 -0.297 19732 4905 1 10 . 1 1 7 7 ASP N N 7 120.769 120.769 120.609 0.160 19732 4906 1 10 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.777 -0.260 19732 4907 1 10 . 1 1 7 7 ASP C C 7 176.111 176.111 176.577 -0.466 19732 4908 1 10 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.462 -0.327 19732 4909 1 10 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.233 1.052 19732 4910 1 10 . 1 1 7 7 ASP H H 7 8.114 8.114 8.280 -0.166 19732 4911 1 10 . 1 1 8 8 ALA N N 8 123.543 123.543 121.066 2.477 19732 4912 1 10 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.279 -0.220 19732 4913 1 10 . 1 1 8 8 ALA C C 8 178.788 178.788 178.947 -0.159 19732 4914 1 10 . 1 1 8 8 ALA CA C 8 53.931 53.931 53.808 0.123 19732 4915 1 10 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.847 0.080 19732 4916 1 10 . 1 1 8 8 ALA H H 8 8.248 8.248 8.149 0.099 19732 4917 1 10 . 1 1 9 9 GLU N N 9 118.034 118.034 118.548 -0.514 19732 4918 1 10 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.986 0.140 19732 4919 1 10 . 1 1 9 9 GLU C C 9 177.485 177.485 178.651 -1.166 19732 4920 1 10 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.351 -1.511 19732 4921 1 10 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.140 1.462 19732 4922 1 10 . 1 1 9 9 GLU H H 9 8.255 8.255 7.925 0.330 19732 4923 1 10 . 1 1 10 10 SER N N 10 115.260 115.260 114.407 0.853 19732 4924 1 10 . 1 1 10 10 SER HA H 10 4.232 4.232 4.234 -0.002 19732 4925 1 10 . 1 1 10 10 SER C C 10 175.552 175.552 175.527 0.025 19732 4926 1 10 . 1 1 10 10 SER CA C 10 60.015 60.015 61.430 -1.415 19732 4927 1 10 . 1 1 10 10 SER CB C 10 63.225 63.225 62.898 0.327 19732 4928 1 10 . 1 1 10 10 SER H H 10 7.992 7.992 8.178 -0.186 19732 4929 1 10 . 1 1 11 11 ILE N N 11 121.199 121.199 118.325 2.874 19732 4930 1 10 . 1 1 11 11 ILE HA H 11 3.890 3.890 3.970 -0.080 19732 4931 1 10 . 1 1 11 11 ILE C C 11 176.411 176.411 177.016 -0.605 19732 4932 1 10 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.379 0.371 19732 4933 1 10 . 1 1 11 11 ILE CB C 11 38.273 38.273 37.977 0.296 19732 4934 1 10 . 1 1 11 11 ILE H H 11 7.729 7.729 7.454 0.275 19732 4935 1 10 . 1 1 12 12 ARG N N 12 121.248 121.248 117.966 3.282 19732 4936 1 10 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.263 -0.150 19732 4937 1 10 . 1 1 12 12 ARG C C 12 176.970 176.970 176.645 0.325 19732 4938 1 10 . 1 1 12 12 ARG CA C 12 57.077 57.077 57.946 -0.869 19732 4939 1 10 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.083 -0.587 19732 4940 1 10 . 1 1 12 12 ARG H H 12 7.853 7.853 7.692 0.161 19732 4941 1 10 . 1 1 13 13 LEU N N 13 120.701 120.701 116.407 4.294 19732 4942 1 10 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.438 -0.220 19732 4943 1 10 . 1 1 13 13 LEU C C 13 177.620 177.620 174.869 2.751 19732 4944 1 10 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.762 -0.465 19732 4945 1 10 . 1 1 13 13 LEU CB C 13 42.174 42.174 42.634 -0.460 19732 4946 1 10 . 1 1 13 13 LEU H H 13 8.020 8.020 8.317 -0.297 19732 4947 1 10 . 1 1 16 16 GLU N N 16 120.417 120.417 121.884 -1.467 19732 4948 1 10 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.016 0.109 19732 4949 1 10 . 1 1 16 16 GLU C C 16 178.929 178.929 177.936 0.993 19732 4950 1 10 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.680 -0.075 19732 4951 1 10 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.555 -0.164 19732 4952 1 10 . 1 1 16 16 GLU H H 16 8.465 8.465 9.019 -0.554 19732 4953 1 10 . 1 1 17 17 ASN N N 17 118.855 118.855 118.378 0.477 19732 4954 1 10 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.568 0.051 19732 4955 1 10 . 1 1 17 17 ASN C C 17 177.835 177.835 178.008 -0.173 19732 4956 1 10 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.048 -0.510 19732 4957 1 10 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.156 0.055 19732 4958 1 10 . 1 1 17 17 ASN H H 17 8.428 8.428 8.798 -0.370 19732 4959 1 10 . 1 1 18 18 LEU N N 18 123.972 123.972 120.141 3.831 19732 4960 1 10 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.443 -0.223 19732 4961 1 10 . 1 1 18 18 LEU C C 18 178.248 178.248 178.271 -0.023 19732 4962 1 10 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.783 0.102 19732 4963 1 10 . 1 1 18 18 LEU CB C 18 41.697 41.697 40.902 0.795 19732 4964 1 10 . 1 1 18 18 LEU H H 18 8.208 8.208 8.160 0.048 19732 4965 1 10 . 1 1 19 19 TRP N N 19 119.362 119.362 122.042 -2.680 19732 4966 1 10 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.317 -0.151 19732 4967 1 10 . 1 1 19 19 TRP C C 19 177.617 177.617 177.487 0.130 19732 4968 1 10 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.681 0.215 19732 4969 1 10 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.694 -0.267 19732 4970 1 10 . 1 1 19 19 TRP H H 19 8.316 8.316 8.151 0.165 19732 4971 1 10 . 1 1 20 20 ALA N N 20 118.581 118.581 121.719 -3.138 19732 4972 1 10 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.940 0.110 19732 4973 1 10 . 1 1 20 20 ALA C C 20 180.422 180.422 179.049 1.373 19732 4974 1 10 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.333 -0.169 19732 4975 1 10 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.846 0.195 19732 4976 1 10 . 1 1 20 20 ALA H H 20 7.957 7.957 8.105 -0.148 19732 4977 1 10 . 1 1 21 21 TRP N N 21 119.753 119.753 120.787 -1.034 19732 4978 1 10 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.264 -0.371 19732 4979 1 10 . 1 1 21 21 TRP C C 21 177.494 177.494 177.757 -0.263 19732 4980 1 10 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.811 2.287 19732 4981 1 10 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.874 -1.231 19732 4982 1 10 . 1 1 21 21 TRP H H 21 8.043 8.043 7.713 0.330 19732 4983 1 10 . 1 1 22 22 LEU N N 22 122.136 122.136 120.814 1.322 19732 4984 1 10 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.547 -0.108 19732 4985 1 10 . 1 1 22 22 LEU C C 22 178.075 178.075 178.662 -0.587 19732 4986 1 10 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.929 -0.174 19732 4987 1 10 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.164 0.805 19732 4988 1 10 . 1 1 22 22 LEU H H 22 8.553 8.553 8.219 0.334 19732 4989 1 10 . 1 1 23 23 VAL N N 23 118.034 118.034 118.381 -0.347 19732 4990 1 10 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.218 0.095 19732 4991 1 10 . 1 1 23 23 VAL C C 23 178.401 178.401 178.135 0.266 19732 4992 1 10 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.757 0.367 19732 4993 1 10 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.343 -0.043 19732 4994 1 10 . 1 1 23 23 VAL H H 23 8.341 8.341 8.188 0.153 19732 4995 1 10 . 1 1 24 24 ARG N N 24 120.377 120.377 117.818 2.559 19732 4996 1 10 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.936 -0.122 19732 4997 1 10 . 1 1 24 24 ARG C C 24 179.205 179.205 178.597 0.608 19732 4998 1 10 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.252 0.852 19732 4999 1 10 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.156 -0.120 19732 5000 1 10 . 1 1 24 24 ARG H H 24 7.856 7.856 7.926 -0.070 19732 5001 1 10 . 1 1 25 25 LEU N N 25 121.668 121.668 120.650 1.018 19732 5002 1 10 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.931 -0.268 19732 5003 1 10 . 1 1 25 25 LEU C C 25 179.943 179.943 178.816 1.127 19732 5004 1 10 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.190 0.858 19732 5005 1 10 . 1 1 25 25 LEU CB C 25 41.028 41.028 41.123 -0.095 19732 5006 1 10 . 1 1 25 25 LEU H H 25 7.838 7.838 7.763 0.075 19732 5007 1 10 . 1 1 26 26 LEU N N 26 118.308 118.308 118.676 -0.368 19732 5008 1 10 . 1 1 26 26 LEU HA H 26 3.911 3.911 3.972 -0.061 19732 5009 1 10 . 1 1 26 26 LEU C C 26 179.471 179.471 179.322 0.149 19732 5010 1 10 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.365 0.108 19732 5011 1 10 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.728 0.301 19732 5012 1 10 . 1 1 26 26 LEU H H 26 8.247 8.247 8.329 -0.082 19732 5013 1 10 . 1 1 27 27 SER N N 27 115.768 115.768 114.914 0.854 19732 5014 1 10 . 1 1 27 27 SER HA H 27 4.020 4.020 4.258 -0.238 19732 5015 1 10 . 1 1 27 27 SER C C 27 174.990 174.990 175.294 -0.304 19732 5016 1 10 . 1 1 27 27 SER CA C 27 61.755 61.755 60.675 1.080 19732 5017 1 10 . 1 1 27 27 SER CB C 27 62.755 62.755 62.838 -0.083 19732 5018 1 10 . 1 1 27 27 SER H H 27 8.436 8.436 8.272 0.164 19732 5019 1 10 . 1 1 28 28 LYS N N 28 117.644 117.644 117.838 -0.194 19732 5020 1 10 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.384 -0.070 19732 5021 1 10 . 1 1 28 28 LYS C C 28 175.979 175.979 175.965 0.014 19732 5022 1 10 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.264 -0.077 19732 5023 1 10 . 1 1 28 28 LYS CB C 28 32.791 32.791 33.211 -0.420 19732 5024 1 10 . 1 1 28 28 LYS H H 28 7.014 7.014 7.528 -0.514 19732 5025 1 10 . 1 1 29 29 ASN N N 29 118.347 118.347 117.793 0.554 19732 5026 1 10 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.248 0.034 19732 5027 1 10 . 1 1 29 29 ASN C C 29 171.835 171.835 173.444 -1.609 19732 5028 1 10 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.590 0.735 19732 5029 1 10 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.885 1.741 19732 5030 1 10 . 1 1 29 29 ASN H H 29 7.611 7.611 7.936 -0.325 19732 5031 1 10 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.393 0.058 19732 5032 1 10 . 1 1 30 30 PRO C C 30 179.560 179.560 178.244 1.316 19732 5033 1 10 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.975 0.894 19732 5034 1 10 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.033 -0.631 19732 5035 1 10 . 1 1 31 31 GLU N N 31 119.636 119.636 118.218 1.418 19732 5036 1 10 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.145 -0.019 19732 5037 1 10 . 1 1 31 31 GLU C C 31 179.253 179.253 178.630 0.623 19732 5038 1 10 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.377 0.295 19732 5039 1 10 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.262 -0.897 19732 5040 1 10 . 1 1 31 31 GLU H H 31 8.593 8.593 8.730 -0.137 19732 5041 1 10 . 1 1 32 32 TRP N N 32 122.293 122.293 121.989 0.304 19732 5042 1 10 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.391 -0.358 19732 5043 1 10 . 1 1 32 32 TRP C C 32 178.055 178.055 177.863 0.192 19732 5044 1 10 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.907 0.949 19732 5045 1 10 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.766 -0.650 19732 5046 1 10 . 1 1 32 32 TRP H H 32 7.933 7.933 7.387 0.546 19732 5047 1 10 . 1 1 33 33 LEU N N 33 117.409 117.409 120.876 -3.467 19732 5048 1 10 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.846 0.044 19732 5049 1 10 . 1 1 33 33 LEU C C 33 177.934 177.934 178.771 -0.837 19732 5050 1 10 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.038 0.140 19732 5051 1 10 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.443 0.115 19732 5052 1 10 . 1 1 33 33 LEU H H 33 8.012 8.012 8.240 -0.228 19732 5053 1 10 . 1 1 34 34 SER N N 34 113.257 113.257 114.753 -1.496 19732 5054 1 10 . 1 1 34 34 SER HA H 34 3.975 3.975 4.081 -0.106 19732 5055 1 10 . 1 1 34 34 SER C C 34 176.363 176.363 176.510 -0.147 19732 5056 1 10 . 1 1 34 34 SER CA C 34 62.194 62.194 61.739 0.455 19732 5057 1 10 . 1 1 34 34 SER CB C 34 62.739 62.739 62.594 0.145 19732 5058 1 10 . 1 1 34 34 SER H H 34 8.335 8.335 8.106 0.229 19732 5059 1 10 . 1 1 35 35 ALA N N 35 121.511 121.511 124.950 -3.439 19732 5060 1 10 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.939 0.018 19732 5061 1 10 . 1 1 35 35 ALA C C 35 180.728 180.728 179.691 1.037 19732 5062 1 10 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.967 -0.077 19732 5063 1 10 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.062 -0.287 19732 5064 1 10 . 1 1 35 35 ALA H H 35 7.391 7.391 7.451 -0.060 19732 5065 1 10 . 1 1 36 36 LYS N N 36 118.386 118.386 117.715 0.671 19732 5066 1 10 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.990 -0.156 19732 5067 1 10 . 1 1 36 36 LYS C C 36 179.578 179.578 179.047 0.531 19732 5068 1 10 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.660 -1.063 19732 5069 1 10 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.795 -1.312 19732 5070 1 10 . 1 1 36 36 LYS H H 36 7.823 7.823 7.265 0.558 19732 5071 1 10 . 1 1 37 37 LEU N N 37 119.480 119.480 119.886 -0.406 19732 5072 1 10 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.054 -0.164 19732 5073 1 10 . 1 1 37 37 LEU C C 37 178.529 178.529 178.888 -0.359 19732 5074 1 10 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.407 0.240 19732 5075 1 10 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.318 -0.170 19732 5076 1 10 . 1 1 37 37 LEU H H 37 8.725 8.725 8.372 0.353 19732 5077 1 10 . 1 1 38 38 ARG N N 38 115.612 115.612 118.341 -2.729 19732 5078 1 10 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.038 -0.041 19732 5079 1 10 . 1 1 38 38 ARG C C 38 177.661 177.661 177.943 -0.282 19732 5080 1 10 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.250 -0.738 19732 5081 1 10 . 1 1 38 38 ARG CB C 38 29.935 29.935 30.030 -0.095 19732 5082 1 10 . 1 1 38 38 ARG H H 38 7.446 7.446 7.807 -0.361 19732 5083 1 10 . 1 1 39 39 SER N N 39 111.883 111.883 114.049 -2.166 19732 5084 1 10 . 1 1 39 39 SER HA H 39 4.160 4.160 4.123 0.037 19732 5085 1 10 . 1 1 39 39 SER C C 39 175.401 175.401 175.500 -0.099 19732 5086 1 10 . 1 1 39 39 SER CA C 39 60.359 60.359 60.669 -0.310 19732 5087 1 10 . 1 1 39 39 SER CB C 39 63.228 63.228 62.586 0.642 19732 5088 1 10 . 1 1 39 39 SER H H 39 7.353 7.353 7.284 0.069 19732 5089 1 10 . 1 1 40 40 PHE N N 40 117.136 117.136 118.100 -0.964 19732 5090 1 10 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.454 0.160 19732 5091 1 10 . 1 1 40 40 PHE C C 40 175.852 175.852 175.912 -0.060 19732 5092 1 10 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.230 -0.520 19732 5093 1 10 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.733 1.961 19732 5094 1 10 . 1 1 40 40 PHE H H 40 7.792 7.792 7.660 0.132 19732 5095 1 10 . 1 1 41 41 LEU N N 41 119.050 119.050 118.882 0.168 19732 5096 1 10 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.785 0.092 19732 5097 1 10 . 1 1 41 41 LEU C C 41 174.510 174.510 175.938 -1.428 19732 5098 1 10 . 1 1 41 41 LEU CA C 41 52.092 52.092 51.295 0.797 19732 5099 1 10 . 1 1 41 41 LEU CB C 41 42.037 42.037 40.510 1.527 19732 5100 1 10 . 1 1 41 41 LEU H H 41 8.114 8.114 8.081 0.033 19732 5101 1 10 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.443 -0.141 19732 5102 1 10 . 1 1 42 42 PRO C C 42 177.620 177.620 177.514 0.106 19732 5103 1 10 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.917 -1.146 19732 5104 1 10 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.088 -0.407 19732 5105 1 10 . 1 1 43 43 THR N N 43 109.752 109.752 113.004 -3.252 19732 5106 1 10 . 1 1 43 43 THR HA H 43 4.256 4.256 4.533 -0.277 19732 5107 1 10 . 1 1 43 43 THR C C 43 174.467 174.467 174.116 0.351 19732 5108 1 10 . 1 1 43 43 THR CA C 43 61.657 61.657 59.853 1.804 19732 5109 1 10 . 1 1 43 43 THR CB C 43 69.450 69.450 68.162 1.288 19732 5110 1 10 . 1 1 43 43 THR H H 43 7.671 7.671 8.160 -0.489 19732 5111 1 10 . 1 1 44 44 MET N N 44 121.568 121.568 122.303 -0.735 19732 5112 1 10 . 1 1 44 44 MET HA H 44 4.363 4.363 4.346 0.017 19732 5113 1 10 . 1 1 44 44 MET C C 44 175.373 175.373 175.349 0.024 19732 5114 1 10 . 1 1 44 44 MET CA C 44 55.710 55.710 56.306 -0.596 19732 5115 1 10 . 1 1 44 44 MET CB C 44 32.989 32.989 32.201 0.788 19732 5116 1 10 . 1 1 44 44 MET H H 44 8.037 8.037 7.661 0.376 19732 5117 1 10 . 1 1 45 45 ASP N N 45 121.980 121.980 124.569 -2.589 19732 5118 1 10 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.872 -0.351 19732 5119 1 10 . 1 1 45 45 ASP C C 45 176.022 176.022 175.629 0.393 19732 5120 1 10 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.909 0.462 19732 5121 1 10 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.469 0.678 19732 5122 1 10 . 1 1 45 45 ASP H H 45 8.230 8.230 8.747 -0.517 19732 5123 1 10 . 1 1 46 46 LEU N N 46 122.192 122.192 116.461 5.731 19732 5124 1 10 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.376 -0.232 19732 5125 1 10 . 1 1 46 46 LEU C C 46 177.018 177.018 177.607 -0.589 19732 5126 1 10 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.898 0.015 19732 5127 1 10 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.967 0.209 19732 5128 1 10 . 1 1 46 46 LEU H H 46 8.028 8.028 7.828 0.200 19732 5129 1 10 . 1 1 47 47 ASP N N 47 120.573 120.573 118.689 1.884 19732 5130 1 10 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.386 0.139 19732 5131 1 10 . 1 1 47 47 ASP C C 47 176.370 176.370 176.110 0.260 19732 5132 1 10 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.689 -1.482 19732 5133 1 10 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.658 0.496 19732 5134 1 10 . 1 1 47 47 ASP H H 47 8.238 8.238 8.466 -0.228 19732 5135 1 10 . 1 1 48 48 CYS N N 48 118.464 118.464 120.453 -1.989 19732 5136 1 10 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.523 -0.094 19732 5137 1 10 . 1 1 48 48 CYS C C 48 174.340 174.340 174.221 0.119 19732 5138 1 10 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.872 -0.359 19732 5139 1 10 . 1 1 48 48 CYS CB C 48 27.953 27.953 25.820 2.133 19732 5140 1 10 . 1 1 48 48 CYS H H 48 8.068 8.068 7.331 0.737 19732 5141 1 10 . 1 1 49 49 SER N N 49 116.784 116.784 121.891 -5.107 19732 5142 1 10 . 1 1 49 49 SER HA H 49 4.302 4.302 4.204 0.098 19732 5143 1 10 . 1 1 49 49 SER C C 49 173.897 173.897 174.233 -0.336 19732 5144 1 10 . 1 1 49 49 SER CA C 49 58.718 58.718 56.544 2.174 19732 5145 1 10 . 1 1 49 49 SER CB C 49 63.636 63.636 62.136 1.500 19732 5146 1 10 . 1 1 49 49 SER H H 49 8.185 8.185 8.011 0.174 19732 5147 1 10 . 1 1 50 50 TYR N N 50 120.886 120.886 122.063 -1.177 19732 5148 1 10 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.333 0.179 19732 5149 1 10 . 1 1 50 50 TYR C C 50 174.818 174.818 176.062 -1.244 19732 5150 1 10 . 1 1 50 50 TYR CA C 50 57.486 57.486 59.547 -2.061 19732 5151 1 10 . 1 1 50 50 TYR CB C 50 38.796 38.796 37.865 0.931 19732 5152 1 10 . 1 1 50 50 TYR H H 50 7.776 7.776 6.991 0.785 19732 5153 1 10 . 1 1 51 51 GLU N N 51 122.800 122.800 119.161 3.639 19732 5154 1 10 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.705 -0.150 19732 5155 1 10 . 1 1 51 51 GLU C C 51 174.508 174.508 174.878 -0.370 19732 5156 1 10 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.897 0.032 19732 5157 1 10 . 1 1 51 51 GLU CB C 51 30.225 30.225 30.291 -0.066 19732 5158 1 10 . 1 1 51 51 GLU H H 51 8.026 8.026 8.295 -0.269 19732 5159 1 10 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.401 -0.099 19732 5160 1 10 . 1 1 52 52 PRO C C 52 176.065 176.065 177.375 -1.310 19732 5161 1 10 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.696 0.988 19732 5162 1 10 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.278 -0.715 19732 5163 1 10 . 1 1 53 53 SER N N 53 110.611 110.611 114.892 -4.281 19732 5164 1 10 . 1 1 53 53 SER HA H 53 4.302 4.302 4.360 -0.058 19732 5165 1 10 . 1 1 53 53 SER C C 53 173.858 173.858 173.877 -0.019 19732 5166 1 10 . 1 1 53 53 SER CA C 53 58.508 58.508 58.290 0.218 19732 5167 1 10 . 1 1 53 53 SER CB C 53 63.636 63.636 60.880 2.756 19732 5168 1 10 . 1 1 53 53 SER H H 53 7.934 7.934 8.561 -0.627 19732 5169 1 10 . 1 1 54 54 ASN N N 54 121.155 121.155 122.523 -1.368 19732 5170 1 10 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.764 0.114 19732 5171 1 10 . 1 1 54 54 ASN C C 54 174.167 174.167 174.936 -0.769 19732 5172 1 10 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.351 -0.880 19732 5173 1 10 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.913 1.091 19732 5174 1 10 . 1 1 54 54 ASN H H 54 7.666 7.666 8.054 -0.388 19732 5175 1 10 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.129 -0.100 19732 5176 1 10 . 1 1 55 55 PRO C C 55 177.787 177.787 178.517 -0.730 19732 5177 1 10 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.115 -0.529 19732 5178 1 10 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.928 0.435 19732 5179 1 10 . 1 1 56 56 GLU N N 56 117.292 117.292 116.982 0.310 19732 5180 1 10 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.427 -0.357 19732 5181 1 10 . 1 1 56 56 GLU C C 56 179.258 179.258 179.368 -0.110 19732 5182 1 10 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.227 0.245 19732 5183 1 10 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.699 0.425 19732 5184 1 10 . 1 1 56 56 GLU H H 56 8.153 8.153 9.042 -0.889 19732 5185 1 10 . 1 1 57 57 VAL N N 57 120.730 120.730 121.158 -0.428 19732 5186 1 10 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.976 -0.408 19732 5187 1 10 . 1 1 57 57 VAL C C 57 178.039 178.039 178.158 -0.119 19732 5188 1 10 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.653 -0.688 19732 5189 1 10 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.640 0.345 19732 5190 1 10 . 1 1 57 57 VAL H H 57 7.556 7.556 7.375 0.181 19732 5191 1 10 . 1 1 58 58 ILE N N 58 119.892 119.892 119.668 0.224 19732 5192 1 10 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.728 -0.018 19732 5193 1 10 . 1 1 58 58 ILE C C 58 178.096 178.096 177.924 0.172 19732 5194 1 10 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.122 1.090 19732 5195 1 10 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.459 0.859 19732 5196 1 10 . 1 1 58 58 ILE H H 58 7.784 7.784 8.099 -0.315 19732 5197 1 10 . 1 1 59 59 HIS N N 59 117.644 117.644 120.300 -2.656 19732 5198 1 10 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.464 -0.317 19732 5199 1 10 . 1 1 59 59 HIS C C 59 177.576 177.576 177.629 -0.053 19732 5200 1 10 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.153 0.342 19732 5201 1 10 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.612 -0.333 19732 5202 1 10 . 1 1 59 59 HIS H H 59 8.350 8.350 8.674 -0.324 19732 5203 1 10 . 1 1 60 60 ARG N N 60 118.248 118.248 119.644 -1.396 19732 5204 1 10 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.923 0.123 19732 5205 1 10 . 1 1 60 60 ARG C C 60 179.642 179.642 178.623 1.019 19732 5206 1 10 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.243 0.703 19732 5207 1 10 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.786 0.521 19732 5208 1 10 . 1 1 60 60 ARG H H 60 7.776 7.776 8.528 -0.752 19732 5209 1 10 . 1 1 61 61 GLN N N 61 119.475 119.475 118.532 0.943 19732 5210 1 10 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.118 -0.052 19732 5211 1 10 . 1 1 61 61 GLN C C 61 178.650 178.650 179.089 -0.439 19732 5212 1 10 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.735 0.290 19732 5213 1 10 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.623 -0.471 19732 5214 1 10 . 1 1 61 61 GLN H H 61 8.460 8.460 7.729 0.731 19732 5215 1 10 . 1 1 62 62 LEU N N 62 117.882 117.882 119.948 -2.066 19732 5216 1 10 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.223 -0.095 19732 5217 1 10 . 1 1 62 62 LEU C C 62 179.260 179.260 178.907 0.353 19732 5218 1 10 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.947 1.048 19732 5219 1 10 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.517 0.113 19732 5220 1 10 . 1 1 62 62 LEU H H 62 8.742 8.742 8.477 0.265 19732 5221 1 10 . 1 1 63 63 ASN N N 63 117.409 117.409 118.418 -1.009 19732 5222 1 10 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.346 -0.116 19732 5223 1 10 . 1 1 63 63 ASN C C 63 178.050 178.050 177.801 0.249 19732 5224 1 10 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.499 0.166 19732 5225 1 10 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.681 -0.003 19732 5226 1 10 . 1 1 63 63 ASN H H 63 8.279 8.279 8.652 -0.373 19732 5227 1 10 . 1 1 64 64 ARG N N 64 119.753 119.753 119.133 0.620 19732 5228 1 10 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.105 -0.063 19732 5229 1 10 . 1 1 64 64 ARG C C 64 178.914 178.914 178.815 0.099 19732 5230 1 10 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.750 0.110 19732 5231 1 10 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.798 -0.029 19732 5232 1 10 . 1 1 64 64 ARG H H 64 7.784 7.784 7.964 -0.180 19732 5233 1 10 . 1 1 65 65 LEU N N 65 120.009 120.009 119.487 0.522 19732 5234 1 10 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.126 -0.187 19732 5235 1 10 . 1 1 65 65 LEU C C 65 178.481 178.481 178.878 -0.397 19732 5236 1 10 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.225 1.082 19732 5237 1 10 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.664 0.792 19732 5238 1 10 . 1 1 65 65 LEU H H 65 7.779 7.779 7.752 0.027 19732 5239 1 10 . 1 1 66 66 PHE N N 66 118.503 118.503 120.720 -2.217 19732 5240 1 10 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.548 -0.573 19732 5241 1 10 . 1 1 66 66 PHE C C 66 178.269 178.269 176.739 1.530 19732 5242 1 10 . 1 1 66 66 PHE CA C 66 60.837 60.837 61.092 -0.255 19732 5243 1 10 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.004 -0.253 19732 5244 1 10 . 1 1 66 66 PHE H H 66 8.287 8.287 8.252 0.035 19732 5245 1 10 . 1 1 67 67 ALA N N 67 119.206 119.206 120.834 -1.628 19732 5246 1 10 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.201 -0.302 19732 5247 1 10 . 1 1 67 67 ALA C C 67 178.876 178.876 178.842 0.034 19732 5248 1 10 . 1 1 67 67 ALA CA C 67 53.658 53.658 54.151 -0.493 19732 5249 1 10 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.578 -0.536 19732 5250 1 10 . 1 1 67 67 ALA H H 67 7.902 7.902 7.727 0.175 19732 5251 1 10 . 1 1 68 68 GLN N N 68 115.534 115.534 117.867 -2.333 19732 5252 1 10 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.248 -0.133 19732 5253 1 10 . 1 1 68 68 GLN C C 68 177.274 177.274 177.007 0.267 19732 5254 1 10 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.855 -0.459 19732 5255 1 10 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.583 -0.742 19732 5256 1 10 . 1 1 68 68 GLN H H 68 7.572 7.572 7.538 0.034 19732 5257 1 10 . 1 1 69 69 GLY N N 69 106.861 106.861 105.751 1.110 19732 5258 1 10 . 1 1 69 69 GLY C C 69 173.690 173.690 173.289 0.401 19732 5259 1 10 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.344 -1.457 19732 5260 1 10 . 1 1 69 69 GLY H H 69 7.486 7.486 8.050 -0.564 19732 5261 1 10 . 1 1 70 70 MET N N 70 119.355 119.355 120.747 -1.392 19732 5262 1 10 . 1 1 70 70 MET HA H 70 4.117 4.117 3.014 1.103 19732 5263 1 10 . 1 1 70 70 MET C C 70 177.743 177.743 176.431 1.312 19732 5264 1 10 . 1 1 70 70 MET CA C 70 57.396 57.396 57.754 -0.358 19732 5265 1 10 . 1 1 70 70 MET CB C 70 30.638 30.638 31.398 -0.760 19732 5266 1 10 . 1 1 70 70 MET H H 70 8.245 8.245 7.895 0.350 19732 5267 1 10 . 1 1 71 71 ALA N N 71 120.691 120.691 121.903 -1.212 19732 5268 1 10 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.090 -0.027 19732 5269 1 10 . 1 1 71 71 ALA C C 71 181.027 181.027 179.551 1.476 19732 5270 1 10 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.077 0.565 19732 5271 1 10 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.826 -0.261 19732 5272 1 10 . 1 1 71 71 ALA H H 71 8.624 8.624 7.922 0.702 19732 5273 1 10 . 1 1 72 72 THR N N 72 116.354 116.354 115.428 0.926 19732 5274 1 10 . 1 1 72 72 THR HA H 72 3.825 3.825 4.007 -0.182 19732 5275 1 10 . 1 1 72 72 THR C C 72 174.861 174.861 176.018 -1.157 19732 5276 1 10 . 1 1 72 72 THR CA C 72 66.992 66.992 67.380 -0.388 19732 5277 1 10 . 1 1 72 72 THR CB C 72 68.355 68.355 68.573 -0.218 19732 5278 1 10 . 1 1 72 72 THR H H 72 7.525 7.525 7.712 -0.187 19732 5279 1 10 . 1 1 73 73 TRP N N 73 122.292 122.292 122.412 -0.120 19732 5280 1 10 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.305 0.026 19732 5281 1 10 . 1 1 73 73 TRP C C 73 176.757 176.757 177.482 -0.725 19732 5282 1 10 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.870 -0.311 19732 5283 1 10 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.901 0.456 19732 5284 1 10 . 1 1 73 73 TRP H H 73 8.090 8.090 8.228 -0.138 19732 5285 1 10 . 1 1 74 74 LYS N N 74 115.768 115.768 118.707 -2.939 19732 5286 1 10 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.906 -0.168 19732 5287 1 10 . 1 1 74 74 LYS C C 74 178.957 178.957 179.285 -0.328 19732 5288 1 10 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.459 -0.026 19732 5289 1 10 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.170 0.152 19732 5290 1 10 . 1 1 74 74 LYS H H 74 9.001 9.001 8.276 0.725 19732 5291 1 10 . 1 1 75 75 SER N N 75 115.378 115.378 115.668 -0.290 19732 5292 1 10 . 1 1 75 75 SER HA H 75 4.211 4.211 4.264 -0.053 19732 5293 1 10 . 1 1 75 75 SER C C 75 175.465 175.465 176.352 -0.887 19732 5294 1 10 . 1 1 75 75 SER CA C 75 61.999 61.999 62.267 -0.268 19732 5295 1 10 . 1 1 75 75 SER CB C 75 63.160 63.160 63.203 -0.043 19732 5296 1 10 . 1 1 75 75 SER H H 75 7.604 7.604 8.105 -0.501 19732 5297 1 10 . 1 1 76 76 PHE N N 76 121.707 121.707 123.477 -1.770 19732 5298 1 10 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.295 -0.279 19732 5299 1 10 . 1 1 76 76 PHE C C 76 175.983 175.983 176.842 -0.859 19732 5300 1 10 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.466 0.016 19732 5301 1 10 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.975 -0.696 19732 5302 1 10 . 1 1 76 76 PHE H H 76 8.200 8.200 8.266 -0.066 19732 5303 1 10 . 1 1 77 77 ILE N N 77 117.448 117.448 118.359 -0.911 19732 5304 1 10 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.403 -0.072 19732 5305 1 10 . 1 1 77 77 ILE C C 77 177.919 177.919 178.054 -0.135 19732 5306 1 10 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.362 -2.868 19732 5307 1 10 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.254 -1.532 19732 5308 1 10 . 1 1 77 77 ILE H H 77 8.193 8.193 8.599 -0.406 19732 5309 1 10 . 1 1 78 78 ASN N N 78 119.831 119.831 120.334 -0.503 19732 5310 1 10 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.543 -0.325 19732 5311 1 10 . 1 1 78 78 ASN C C 78 177.228 177.228 177.480 -0.252 19732 5312 1 10 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.699 1.092 19732 5313 1 10 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.660 0.644 19732 5314 1 10 . 1 1 78 78 ASN H H 78 8.224 8.224 8.239 -0.015 19732 5315 1 10 . 1 1 79 79 ASP N N 79 119.402 119.402 120.785 -1.383 19732 5316 1 10 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.561 -0.072 19732 5317 1 10 . 1 1 79 79 ASP C C 79 177.600 177.600 178.549 -0.949 19732 5318 1 10 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.262 0.313 19732 5319 1 10 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.752 -0.835 19732 5320 1 10 . 1 1 79 79 ASP H H 79 8.028 8.028 8.148 -0.120 19732 5321 1 10 . 1 1 80 80 LEU N N 80 122.293 122.293 121.964 0.329 19732 5322 1 10 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.408 0.080 19732 5323 1 10 . 1 1 80 80 LEU C C 80 178.561 178.561 177.776 0.785 19732 5324 1 10 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.434 0.898 19732 5325 1 10 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.133 1.247 19732 5326 1 10 . 1 1 80 80 LEU H H 80 8.491 8.491 8.291 0.200 19732 5327 1 10 . 1 1 81 81 CYS N N 81 114.479 114.479 115.464 -0.985 19732 5328 1 10 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.037 -0.106 19732 5329 1 10 . 1 1 81 81 CYS C C 81 176.754 176.754 177.540 -0.786 19732 5330 1 10 . 1 1 81 81 CYS CA C 81 63.543 63.543 63.631 -0.088 19732 5331 1 10 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.098 -0.441 19732 5332 1 10 . 1 1 81 81 CYS H H 81 8.169 8.169 7.965 0.204 19732 5333 1 10 . 1 1 82 82 PHE N N 82 115.964 115.964 121.606 -5.642 19732 5334 1 10 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.191 0.131 19732 5335 1 10 . 1 1 82 82 PHE C C 82 178.485 178.485 176.927 1.558 19732 5336 1 10 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.299 -0.423 19732 5337 1 10 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.301 0.530 19732 5338 1 10 . 1 1 82 82 PHE H H 82 7.863 7.863 7.650 0.213 19732 5339 1 10 . 1 1 83 83 GLU N N 83 116.314 116.314 116.869 -0.555 19732 5340 1 10 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.135 -0.090 19732 5341 1 10 . 1 1 83 83 GLU C C 83 177.877 177.877 177.322 0.555 19732 5342 1 10 . 1 1 83 83 GLU CA C 83 58.745 58.745 57.774 0.971 19732 5343 1 10 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.446 -0.168 19732 5344 1 10 . 1 1 83 83 GLU H H 83 9.049 9.049 8.525 0.524 19732 5345 1 10 . 1 1 84 84 LEU N N 84 116.042 116.042 119.599 -3.557 19732 5346 1 10 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.064 0.173 19732 5347 1 10 . 1 1 84 84 LEU C C 84 175.868 175.868 176.747 -0.879 19732 5348 1 10 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.709 -1.052 19732 5349 1 10 . 1 1 84 84 LEU CB C 84 40.104 40.104 40.509 -0.405 19732 5350 1 10 . 1 1 84 84 LEU H H 84 7.713 7.713 7.261 0.452 19732 5351 1 10 . 1 1 85 85 ASP N N 85 116.940 116.940 117.139 -0.199 19732 5352 1 10 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.244 0.006 19732 5353 1 10 . 1 1 85 85 ASP C C 85 174.424 174.424 175.490 -1.066 19732 5354 1 10 . 1 1 85 85 ASP CA C 85 54.685 54.685 56.314 -1.629 19732 5355 1 10 . 1 1 85 85 ASP CB C 85 38.821 38.821 40.115 -1.294 19732 5356 1 10 . 1 1 85 85 ASP H H 85 7.164 7.164 7.820 -0.656 19732 5357 1 10 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.628 -0.222 19732 5358 1 10 . 1 1 87 87 PRO C C 87 177.572 177.572 176.797 0.775 19732 5359 1 10 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.730 0.430 19732 5360 1 10 . 1 1 87 87 PRO CB C 87 32.260 32.260 30.785 1.475 19732 5361 1 10 . 1 1 88 88 LEU N N 88 122.410 122.410 121.227 1.183 19732 5362 1 10 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.324 -0.393 19732 5363 1 10 . 1 1 88 88 LEU C C 88 179.214 179.214 177.387 1.827 19732 5364 1 10 . 1 1 88 88 LEU CA C 88 57.281 57.281 54.830 2.451 19732 5365 1 10 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.776 -0.696 19732 5366 1 10 . 1 1 88 88 LEU H H 88 8.271 8.271 7.986 0.285 19732 5367 1 10 . 1 1 91 91 GLU N N 91 121.224 121.224 122.525 -1.301 19732 5368 1 10 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.212 -0.675 19732 5369 1 10 . 1 1 91 91 GLU C C 91 176.926 176.926 177.533 -0.607 19732 5370 1 10 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.148 1.931 19732 5371 1 10 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.474 0.011 19732 5372 1 10 . 1 1 91 91 GLU H H 91 7.775 7.775 8.355 -0.580 19732 5373 1 10 . 1 1 92 92 ILE N N 92 115.836 115.836 120.393 -4.557 19732 5374 1 10 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.064 -0.154 19732 5375 1 10 . 1 1 92 92 ILE C C 92 177.704 177.704 175.916 1.788 19732 5376 1 10 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.148 1.882 19732 5377 1 10 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.818 -0.367 19732 5378 1 10 . 1 1 92 92 ILE H H 92 8.259 8.259 8.504 -0.245 19732 5379 1 10 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.263 -0.146 19732 5380 1 10 . 1 1 93 93 PRO C C 93 178.653 178.653 178.798 -0.145 19732 5381 1 10 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.187 -0.184 19732 5382 1 10 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.349 -0.213 19732 5383 1 10 . 1 1 94 94 LEU N N 94 114.952 114.952 116.279 -1.327 19732 5384 1 10 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.327 -0.201 19732 5385 1 10 . 1 1 94 94 LEU C C 94 180.119 180.119 179.408 0.711 19732 5386 1 10 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.831 -0.046 19732 5387 1 10 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.459 1.301 19732 5388 1 10 . 1 1 94 94 LEU H H 94 7.657 7.657 7.825 -0.168 19732 5389 1 10 . 1 1 95 95 VAL N N 95 119.986 119.986 119.905 0.081 19732 5390 1 10 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.308 -0.300 19732 5391 1 10 . 1 1 95 95 VAL C C 95 177.559 177.559 178.029 -0.470 19732 5392 1 10 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.538 0.128 19732 5393 1 10 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.861 -0.147 19732 5394 1 10 . 1 1 95 95 VAL H H 95 8.873 8.873 8.623 0.250 19732 5395 1 10 . 1 1 96 96 SER N N 96 111.863 111.863 115.275 -3.412 19732 5396 1 10 . 1 1 96 96 SER HA H 96 4.598 4.598 4.314 0.284 19732 5397 1 10 . 1 1 96 96 SER C C 96 175.113 175.113 175.320 -0.207 19732 5398 1 10 . 1 1 96 96 SER CA C 96 59.163 59.163 61.096 -1.933 19732 5399 1 10 . 1 1 96 96 SER CB C 96 63.552 63.552 63.177 0.375 19732 5400 1 10 . 1 1 96 96 SER H H 96 7.823 7.823 8.403 -0.580 19732 5401 1 10 . 1 1 97 97 ILE N N 97 120.300 120.300 120.558 -0.258 19732 5402 1 10 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.163 -0.344 19732 5403 1 10 . 1 1 97 97 ILE C C 97 174.601 174.601 175.923 -1.322 19732 5404 1 10 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.421 1.383 19732 5405 1 10 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.745 0.314 19732 5406 1 10 . 1 1 97 97 ILE H H 97 7.014 7.014 7.295 -0.281 19732 5407 1 10 . 1 1 98 98 TRP N N 98 120.222 120.222 122.886 -2.664 19732 5408 1 10 . 1 1 98 98 TRP HA H 98 4.062 4.062 3.842 0.220 19732 5409 1 10 . 1 1 98 98 TRP C C 98 176.502 176.502 175.091 1.411 19732 5410 1 10 . 1 1 98 98 TRP CA C 98 57.790 57.790 59.039 -1.249 19732 5411 1 10 . 1 1 98 98 TRP CB C 98 28.963 28.963 28.488 0.475 19732 5412 1 10 . 1 1 98 98 TRP H H 98 7.651 7.651 7.602 0.049 19732 5413 1 10 . 1 1 99 99 GLY N N 99 109.003 109.003 114.990 -5.987 19732 5414 1 10 . 1 1 99 99 GLY C C 99 170.846 170.846 171.936 -1.090 19732 5415 1 10 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.071 0.566 19732 5416 1 10 . 1 1 99 99 GLY H H 99 7.240 7.240 7.324 -0.084 19732 5417 1 10 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.444 -0.145 19732 5418 1 10 . 1 1 100 100 PRO C C 100 176.200 176.200 175.698 0.502 19732 5419 1 10 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.267 0.737 19732 5420 1 10 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.588 1.220 19732 5421 1 11 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.482 -0.072 19732 5422 1 11 . 1 1 2 2 PRO C C 2 176.929 176.929 175.834 1.095 19732 5423 1 11 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.820 0.321 19732 5424 1 11 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.216 0.018 19732 5425 1 11 . 1 1 3 3 LEU N N 3 121.746 121.746 123.951 -2.205 19732 5426 1 11 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.324 -0.047 19732 5427 1 11 . 1 1 3 3 LEU C C 3 177.789 177.789 177.970 -0.181 19732 5428 1 11 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.440 0.927 19732 5429 1 11 . 1 1 3 3 LEU CB C 3 42.157 42.157 39.636 2.521 19732 5430 1 11 . 1 1 3 3 LEU H H 3 8.420 8.420 8.481 -0.061 19732 5431 1 11 . 1 1 4 4 GLY N N 4 109.400 109.400 115.721 -6.321 19732 5432 1 11 . 1 1 4 4 GLY C C 4 174.208 174.208 175.000 -0.792 19732 5433 1 11 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.804 -0.549 19732 5434 1 11 . 1 1 4 4 GLY H H 4 8.326 8.326 8.385 -0.059 19732 5435 1 11 . 1 1 5 5 SER N N 5 115.339 115.339 121.970 -6.631 19732 5436 1 11 . 1 1 5 5 SER HA H 5 4.363 4.363 4.592 -0.229 19732 5437 1 11 . 1 1 5 5 SER C C 5 174.549 174.549 174.116 0.433 19732 5438 1 11 . 1 1 5 5 SER CA C 5 58.443 58.443 59.272 -0.829 19732 5439 1 11 . 1 1 5 5 SER CB C 5 63.773 63.773 62.507 1.266 19732 5440 1 11 . 1 1 5 5 SER H H 5 8.098 8.098 8.123 -0.025 19732 5441 1 11 . 1 1 6 6 MET N N 6 121.404 121.404 118.431 2.973 19732 5442 1 11 . 1 1 6 6 MET HA H 6 4.427 4.427 4.746 -0.319 19732 5443 1 11 . 1 1 6 6 MET C C 6 175.724 175.724 176.019 -0.295 19732 5444 1 11 . 1 1 6 6 MET CA C 6 55.612 55.612 55.963 -0.351 19732 5445 1 11 . 1 1 6 6 MET CB C 6 32.874 32.874 34.441 -1.567 19732 5446 1 11 . 1 1 6 6 MET H H 6 8.326 8.326 7.872 0.454 19732 5447 1 11 . 1 1 7 7 ASP N N 7 120.769 120.769 122.972 -2.203 19732 5448 1 11 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.638 -0.121 19732 5449 1 11 . 1 1 7 7 ASP C C 7 176.111 176.111 175.858 0.253 19732 5450 1 11 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.872 -0.736 19732 5451 1 11 . 1 1 7 7 ASP CB C 7 41.285 41.285 38.701 2.584 19732 5452 1 11 . 1 1 7 7 ASP H H 7 8.114 8.114 8.161 -0.047 19732 5453 1 11 . 1 1 8 8 ALA N N 8 123.543 123.543 124.822 -1.279 19732 5454 1 11 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.170 -0.111 19732 5455 1 11 . 1 1 8 8 ALA C C 8 178.788 178.788 179.139 -0.351 19732 5456 1 11 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.673 -0.742 19732 5457 1 11 . 1 1 8 8 ALA CB C 8 18.927 18.927 19.491 -0.564 19732 5458 1 11 . 1 1 8 8 ALA H H 8 8.248 8.248 8.069 0.179 19732 5459 1 11 . 1 1 9 9 GLU N N 9 118.034 118.034 118.465 -0.431 19732 5460 1 11 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.959 0.167 19732 5461 1 11 . 1 1 9 9 GLU C C 9 177.485 177.485 178.197 -0.712 19732 5462 1 11 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.197 -1.357 19732 5463 1 11 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.203 1.399 19732 5464 1 11 . 1 1 9 9 GLU H H 9 8.255 8.255 8.789 -0.534 19732 5465 1 11 . 1 1 10 10 SER N N 10 115.260 115.260 113.597 1.663 19732 5466 1 11 . 1 1 10 10 SER HA H 10 4.232 4.232 4.269 -0.037 19732 5467 1 11 . 1 1 10 10 SER C C 10 175.552 175.552 175.590 -0.038 19732 5468 1 11 . 1 1 10 10 SER CA C 10 60.015 60.015 60.901 -0.886 19732 5469 1 11 . 1 1 10 10 SER CB C 10 63.225 63.225 62.709 0.515 19732 5470 1 11 . 1 1 10 10 SER H H 10 7.992 7.992 8.365 -0.373 19732 5471 1 11 . 1 1 11 11 ILE N N 11 121.199 121.199 118.613 2.586 19732 5472 1 11 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.046 -0.156 19732 5473 1 11 . 1 1 11 11 ILE C C 11 176.411 176.411 176.852 -0.441 19732 5474 1 11 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.209 0.541 19732 5475 1 11 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.094 0.178 19732 5476 1 11 . 1 1 11 11 ILE H H 11 7.729 7.729 7.846 -0.117 19732 5477 1 11 . 1 1 12 12 ARG N N 12 121.248 121.248 118.480 2.768 19732 5478 1 11 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.700 -0.587 19732 5479 1 11 . 1 1 12 12 ARG C C 12 176.970 176.970 175.863 1.107 19732 5480 1 11 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.424 0.653 19732 5481 1 11 . 1 1 12 12 ARG CB C 12 30.496 30.496 32.176 -1.680 19732 5482 1 11 . 1 1 12 12 ARG H H 12 7.853 7.853 7.647 0.206 19732 5483 1 11 . 1 1 13 13 LEU N N 13 120.701 120.701 116.077 4.624 19732 5484 1 11 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.370 -0.152 19732 5485 1 11 . 1 1 13 13 LEU C C 13 177.620 177.620 173.820 3.800 19732 5486 1 11 . 1 1 13 13 LEU CA C 13 55.297 55.297 54.520 0.777 19732 5487 1 11 . 1 1 13 13 LEU CB C 13 42.174 42.174 44.381 -2.207 19732 5488 1 11 . 1 1 13 13 LEU H H 13 8.020 8.020 8.219 -0.199 19732 5489 1 11 . 1 1 16 16 GLU N N 16 120.417 120.417 121.157 -0.740 19732 5490 1 11 . 1 1 16 16 GLU HA H 16 4.125 4.125 3.971 0.154 19732 5491 1 11 . 1 1 16 16 GLU C C 16 178.929 178.929 178.067 0.862 19732 5492 1 11 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.827 -0.222 19732 5493 1 11 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.544 -0.152 19732 5494 1 11 . 1 1 16 16 GLU H H 16 8.465 8.465 8.936 -0.471 19732 5495 1 11 . 1 1 17 17 ASN N N 17 118.855 118.855 118.875 -0.020 19732 5496 1 11 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.520 0.099 19732 5497 1 11 . 1 1 17 17 ASN C C 17 177.835 177.835 177.758 0.077 19732 5498 1 11 . 1 1 17 17 ASN CA C 17 55.538 55.538 55.758 -0.220 19732 5499 1 11 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.372 -0.161 19732 5500 1 11 . 1 1 17 17 ASN H H 17 8.428 8.428 8.216 0.212 19732 5501 1 11 . 1 1 18 18 LEU N N 18 123.972 123.972 120.263 3.709 19732 5502 1 11 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.237 -0.017 19732 5503 1 11 . 1 1 18 18 LEU C C 18 178.248 178.248 178.550 -0.302 19732 5504 1 11 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.429 -0.544 19732 5505 1 11 . 1 1 18 18 LEU CB C 18 41.697 41.697 40.795 0.902 19732 5506 1 11 . 1 1 18 18 LEU H H 18 8.208 8.208 8.096 0.112 19732 5507 1 11 . 1 1 19 19 TRP N N 19 119.362 119.362 121.384 -2.022 19732 5508 1 11 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.361 -0.195 19732 5509 1 11 . 1 1 19 19 TRP C C 19 177.617 177.617 177.698 -0.081 19732 5510 1 11 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.472 0.424 19732 5511 1 11 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.845 -0.417 19732 5512 1 11 . 1 1 19 19 TRP H H 19 8.316 8.316 7.957 0.359 19732 5513 1 11 . 1 1 20 20 ALA N N 20 118.581 118.581 121.751 -3.170 19732 5514 1 11 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.936 0.114 19732 5515 1 11 . 1 1 20 20 ALA C C 20 180.422 180.422 179.056 1.366 19732 5516 1 11 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.286 -0.122 19732 5517 1 11 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.906 0.134 19732 5518 1 11 . 1 1 20 20 ALA H H 20 7.957 7.957 8.320 -0.363 19732 5519 1 11 . 1 1 21 21 TRP N N 21 119.753 119.753 120.816 -1.063 19732 5520 1 11 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.264 -0.371 19732 5521 1 11 . 1 1 21 21 TRP C C 21 177.494 177.494 177.807 -0.313 19732 5522 1 11 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.118 1.980 19732 5523 1 11 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.745 -1.102 19732 5524 1 11 . 1 1 21 21 TRP H H 21 8.043 8.043 8.096 -0.053 19732 5525 1 11 . 1 1 22 22 LEU N N 22 122.136 122.136 120.988 1.148 19732 5526 1 11 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.620 -0.181 19732 5527 1 11 . 1 1 22 22 LEU C C 22 178.075 178.075 178.769 -0.694 19732 5528 1 11 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.893 -0.138 19732 5529 1 11 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.218 0.753 19732 5530 1 11 . 1 1 22 22 LEU H H 22 8.553 8.553 7.948 0.605 19732 5531 1 11 . 1 1 23 23 VAL N N 23 118.034 118.034 118.860 -0.826 19732 5532 1 11 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.389 -0.076 19732 5533 1 11 . 1 1 23 23 VAL C C 23 178.401 178.401 178.251 0.150 19732 5534 1 11 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.637 0.487 19732 5535 1 11 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.744 0.556 19732 5536 1 11 . 1 1 23 23 VAL H H 23 8.341 8.341 8.286 0.055 19732 5537 1 11 . 1 1 24 24 ARG N N 24 120.377 120.377 119.179 1.198 19732 5538 1 11 . 1 1 24 24 ARG HA H 24 3.814 3.814 4.080 -0.266 19732 5539 1 11 . 1 1 24 24 ARG C C 24 179.205 179.205 178.916 0.289 19732 5540 1 11 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.072 2.032 19732 5541 1 11 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.812 0.224 19732 5542 1 11 . 1 1 24 24 ARG H H 24 7.856 7.856 8.019 -0.163 19732 5543 1 11 . 1 1 25 25 LEU N N 25 121.668 121.668 121.682 -0.014 19732 5544 1 11 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.891 -0.228 19732 5545 1 11 . 1 1 25 25 LEU C C 25 179.943 179.943 178.508 1.435 19732 5546 1 11 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.389 0.659 19732 5547 1 11 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.685 0.343 19732 5548 1 11 . 1 1 25 25 LEU H H 25 7.838 7.838 7.972 -0.134 19732 5549 1 11 . 1 1 26 26 LEU N N 26 118.308 118.308 118.001 0.307 19732 5550 1 11 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.042 -0.131 19732 5551 1 11 . 1 1 26 26 LEU C C 26 179.471 179.471 179.210 0.261 19732 5552 1 11 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.494 -0.021 19732 5553 1 11 . 1 1 26 26 LEU CB C 26 41.029 41.029 41.083 -0.054 19732 5554 1 11 . 1 1 26 26 LEU H H 26 8.247 8.247 8.457 -0.210 19732 5555 1 11 . 1 1 27 27 SER N N 27 115.768 115.768 114.754 1.014 19732 5556 1 11 . 1 1 27 27 SER HA H 27 4.020 4.020 4.228 -0.208 19732 5557 1 11 . 1 1 27 27 SER C C 27 174.990 174.990 174.989 0.001 19732 5558 1 11 . 1 1 27 27 SER CA C 27 61.755 61.755 60.949 0.806 19732 5559 1 11 . 1 1 27 27 SER CB C 27 62.755 62.755 62.521 0.234 19732 5560 1 11 . 1 1 27 27 SER H H 27 8.436 8.436 8.194 0.242 19732 5561 1 11 . 1 1 28 28 LYS N N 28 117.644 117.644 117.462 0.182 19732 5562 1 11 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.364 -0.050 19732 5563 1 11 . 1 1 28 28 LYS C C 28 175.979 175.979 176.284 -0.305 19732 5564 1 11 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.016 0.171 19732 5565 1 11 . 1 1 28 28 LYS CB C 28 32.791 32.791 33.060 -0.269 19732 5566 1 11 . 1 1 28 28 LYS H H 28 7.014 7.014 7.411 -0.397 19732 5567 1 11 . 1 1 29 29 ASN N N 29 118.347 118.347 117.738 0.609 19732 5568 1 11 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.258 0.024 19732 5569 1 11 . 1 1 29 29 ASN C C 29 171.835 171.835 173.490 -1.655 19732 5570 1 11 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.596 0.729 19732 5571 1 11 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.888 1.738 19732 5572 1 11 . 1 1 29 29 ASN H H 29 7.611 7.611 7.870 -0.259 19732 5573 1 11 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.569 -0.118 19732 5574 1 11 . 1 1 30 30 PRO C C 30 179.560 179.560 178.329 1.231 19732 5575 1 11 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.905 0.964 19732 5576 1 11 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.054 -0.652 19732 5577 1 11 . 1 1 31 31 GLU N N 31 119.636 119.636 118.516 1.120 19732 5578 1 11 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.209 -0.083 19732 5579 1 11 . 1 1 31 31 GLU C C 31 179.253 179.253 178.714 0.539 19732 5580 1 11 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.513 0.159 19732 5581 1 11 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.372 -1.007 19732 5582 1 11 . 1 1 31 31 GLU H H 31 8.593 8.593 8.852 -0.259 19732 5583 1 11 . 1 1 32 32 TRP N N 32 122.293 122.293 121.747 0.546 19732 5584 1 11 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.408 -0.375 19732 5585 1 11 . 1 1 32 32 TRP C C 32 178.055 178.055 177.866 0.189 19732 5586 1 11 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.940 0.916 19732 5587 1 11 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.665 -0.548 19732 5588 1 11 . 1 1 32 32 TRP H H 32 7.933 7.933 7.359 0.574 19732 5589 1 11 . 1 1 33 33 LEU N N 33 117.409 117.409 121.037 -3.628 19732 5590 1 11 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.669 0.221 19732 5591 1 11 . 1 1 33 33 LEU C C 33 177.934 177.934 178.706 -0.772 19732 5592 1 11 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.785 0.393 19732 5593 1 11 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.346 0.212 19732 5594 1 11 . 1 1 33 33 LEU H H 33 8.012 8.012 8.325 -0.313 19732 5595 1 11 . 1 1 34 34 SER N N 34 113.257 113.257 115.308 -2.051 19732 5596 1 11 . 1 1 34 34 SER HA H 34 3.975 3.975 4.058 -0.083 19732 5597 1 11 . 1 1 34 34 SER C C 34 176.363 176.363 176.657 -0.294 19732 5598 1 11 . 1 1 34 34 SER CA C 34 62.194 62.194 61.878 0.316 19732 5599 1 11 . 1 1 34 34 SER CB C 34 62.739 62.739 62.632 0.107 19732 5600 1 11 . 1 1 34 34 SER H H 34 8.335 8.335 8.280 0.055 19732 5601 1 11 . 1 1 35 35 ALA N N 35 121.511 121.511 124.794 -3.283 19732 5602 1 11 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.954 0.003 19732 5603 1 11 . 1 1 35 35 ALA C C 35 180.728 180.728 179.702 1.026 19732 5604 1 11 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.997 -0.108 19732 5605 1 11 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.138 -0.363 19732 5606 1 11 . 1 1 35 35 ALA H H 35 7.391 7.391 7.476 -0.085 19732 5607 1 11 . 1 1 36 36 LYS N N 36 118.386 118.386 117.447 0.939 19732 5608 1 11 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.006 -0.172 19732 5609 1 11 . 1 1 36 36 LYS C C 36 179.578 179.578 179.058 0.520 19732 5610 1 11 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.914 -1.317 19732 5611 1 11 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.914 -1.431 19732 5612 1 11 . 1 1 36 36 LYS H H 36 7.823 7.823 7.357 0.466 19732 5613 1 11 . 1 1 37 37 LEU N N 37 119.480 119.480 119.708 -0.228 19732 5614 1 11 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.070 -0.180 19732 5615 1 11 . 1 1 37 37 LEU C C 37 178.529 178.529 178.854 -0.325 19732 5616 1 11 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.316 0.331 19732 5617 1 11 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.314 -0.166 19732 5618 1 11 . 1 1 37 37 LEU H H 37 8.725 8.725 8.568 0.157 19732 5619 1 11 . 1 1 38 38 ARG N N 38 115.612 115.612 116.568 -0.956 19732 5620 1 11 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.036 -0.039 19732 5621 1 11 . 1 1 38 38 ARG C C 38 177.661 177.661 177.652 0.009 19732 5622 1 11 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.996 -0.484 19732 5623 1 11 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.959 -0.024 19732 5624 1 11 . 1 1 38 38 ARG H H 38 7.446 7.446 7.945 -0.499 19732 5625 1 11 . 1 1 39 39 SER N N 39 111.883 111.883 113.179 -1.296 19732 5626 1 11 . 1 1 39 39 SER HA H 39 4.160 4.160 4.237 -0.078 19732 5627 1 11 . 1 1 39 39 SER C C 39 175.401 175.401 175.716 -0.315 19732 5628 1 11 . 1 1 39 39 SER CA C 39 60.359 60.359 60.354 0.005 19732 5629 1 11 . 1 1 39 39 SER CB C 39 63.228 63.228 63.307 -0.079 19732 5630 1 11 . 1 1 39 39 SER H H 39 7.353 7.353 7.418 -0.065 19732 5631 1 11 . 1 1 40 40 PHE N N 40 117.136 117.136 118.916 -1.780 19732 5632 1 11 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.441 0.173 19732 5633 1 11 . 1 1 40 40 PHE C C 40 175.852 175.852 175.993 -0.141 19732 5634 1 11 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.724 -1.014 19732 5635 1 11 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.740 1.954 19732 5636 1 11 . 1 1 40 40 PHE H H 40 7.792 7.792 7.621 0.171 19732 5637 1 11 . 1 1 41 41 LEU N N 41 119.050 119.050 119.122 -0.072 19732 5638 1 11 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.596 0.281 19732 5639 1 11 . 1 1 41 41 LEU C C 41 174.510 174.510 176.353 -1.843 19732 5640 1 11 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.498 -0.406 19732 5641 1 11 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.665 0.372 19732 5642 1 11 . 1 1 41 41 LEU H H 41 8.114 8.114 8.078 0.036 19732 5643 1 11 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.485 -0.183 19732 5644 1 11 . 1 1 42 42 PRO C C 42 177.620 177.620 177.221 0.399 19732 5645 1 11 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.219 -0.448 19732 5646 1 11 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.267 -0.586 19732 5647 1 11 . 1 1 43 43 THR N N 43 109.752 109.752 109.874 -0.122 19732 5648 1 11 . 1 1 43 43 THR HA H 43 4.256 4.256 4.481 -0.225 19732 5649 1 11 . 1 1 43 43 THR C C 43 174.467 174.467 174.046 0.421 19732 5650 1 11 . 1 1 43 43 THR CA C 43 61.657 61.657 59.641 2.016 19732 5651 1 11 . 1 1 43 43 THR CB C 43 69.450 69.450 68.928 0.522 19732 5652 1 11 . 1 1 43 43 THR H H 43 7.671 7.671 7.654 0.017 19732 5653 1 11 . 1 1 44 44 MET N N 44 121.568 121.568 121.374 0.194 19732 5654 1 11 . 1 1 44 44 MET HA H 44 4.363 4.363 4.304 0.059 19732 5655 1 11 . 1 1 44 44 MET C C 44 175.373 175.373 175.825 -0.452 19732 5656 1 11 . 1 1 44 44 MET CA C 44 55.710 55.710 55.508 0.202 19732 5657 1 11 . 1 1 44 44 MET CB C 44 32.989 32.989 32.020 0.969 19732 5658 1 11 . 1 1 44 44 MET H H 44 8.037 8.037 7.448 0.589 19732 5659 1 11 . 1 1 45 45 ASP N N 45 121.980 121.980 126.880 -4.900 19732 5660 1 11 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.717 -0.196 19732 5661 1 11 . 1 1 45 45 ASP C C 45 176.022 176.022 176.230 -0.208 19732 5662 1 11 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.248 1.123 19732 5663 1 11 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.171 0.976 19732 5664 1 11 . 1 1 45 45 ASP H H 45 8.230 8.230 8.489 -0.259 19732 5665 1 11 . 1 1 46 46 LEU N N 46 122.192 122.192 119.601 2.591 19732 5666 1 11 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.533 -0.389 19732 5667 1 11 . 1 1 46 46 LEU C C 46 177.018 177.018 177.260 -0.242 19732 5668 1 11 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.057 0.855 19732 5669 1 11 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.903 0.273 19732 5670 1 11 . 1 1 46 46 LEU H H 46 8.028 8.028 7.450 0.578 19732 5671 1 11 . 1 1 47 47 ASP N N 47 120.573 120.573 118.309 2.264 19732 5672 1 11 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.463 0.062 19732 5673 1 11 . 1 1 47 47 ASP C C 47 176.370 176.370 175.731 0.639 19732 5674 1 11 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.588 -0.381 19732 5675 1 11 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.989 0.165 19732 5676 1 11 . 1 1 47 47 ASP H H 47 8.238 8.238 8.111 0.127 19732 5677 1 11 . 1 1 48 48 CYS N N 48 118.464 118.464 120.018 -1.554 19732 5678 1 11 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.414 0.015 19732 5679 1 11 . 1 1 48 48 CYS C C 48 174.340 174.340 173.994 0.346 19732 5680 1 11 . 1 1 48 48 CYS CA C 48 58.513 58.513 59.405 -0.892 19732 5681 1 11 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.718 0.235 19732 5682 1 11 . 1 1 48 48 CYS H H 48 8.068 8.068 7.784 0.284 19732 5683 1 11 . 1 1 49 49 SER N N 49 116.784 116.784 124.800 -8.016 19732 5684 1 11 . 1 1 49 49 SER HA H 49 4.302 4.302 4.372 -0.070 19732 5685 1 11 . 1 1 49 49 SER C C 49 173.897 173.897 174.049 -0.152 19732 5686 1 11 . 1 1 49 49 SER CA C 49 58.718 58.718 56.537 2.181 19732 5687 1 11 . 1 1 49 49 SER CB C 49 63.636 63.636 61.980 1.656 19732 5688 1 11 . 1 1 49 49 SER H H 49 8.185 8.185 8.508 -0.323 19732 5689 1 11 . 1 1 50 50 TYR N N 50 120.886 120.886 120.616 0.270 19732 5690 1 11 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.662 -0.150 19732 5691 1 11 . 1 1 50 50 TYR C C 50 174.818 174.818 175.966 -1.148 19732 5692 1 11 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.647 -1.161 19732 5693 1 11 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.361 0.435 19732 5694 1 11 . 1 1 50 50 TYR H H 50 7.776 7.776 7.511 0.265 19732 5695 1 11 . 1 1 51 51 GLU N N 51 122.800 122.800 119.008 3.792 19732 5696 1 11 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.754 -0.199 19732 5697 1 11 . 1 1 51 51 GLU C C 51 174.508 174.508 174.428 0.080 19732 5698 1 11 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.955 -0.027 19732 5699 1 11 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.180 -0.955 19732 5700 1 11 . 1 1 51 51 GLU H H 51 8.026 8.026 7.817 0.209 19732 5701 1 11 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.525 -0.223 19732 5702 1 11 . 1 1 52 52 PRO C C 52 176.065 176.065 177.843 -1.778 19732 5703 1 11 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.479 1.205 19732 5704 1 11 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.227 -0.664 19732 5705 1 11 . 1 1 53 53 SER N N 53 110.611 110.611 115.551 -4.940 19732 5706 1 11 . 1 1 53 53 SER HA H 53 4.302 4.302 4.331 -0.029 19732 5707 1 11 . 1 1 53 53 SER C C 53 173.858 173.858 173.633 0.225 19732 5708 1 11 . 1 1 53 53 SER CA C 53 58.508 58.508 58.079 0.429 19732 5709 1 11 . 1 1 53 53 SER CB C 53 63.636 63.636 61.693 1.943 19732 5710 1 11 . 1 1 53 53 SER H H 53 7.934 7.934 8.577 -0.643 19732 5711 1 11 . 1 1 54 54 ASN N N 54 121.155 121.155 123.295 -2.140 19732 5712 1 11 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.720 0.158 19732 5713 1 11 . 1 1 54 54 ASN C C 54 174.167 174.167 174.847 -0.680 19732 5714 1 11 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.870 -1.399 19732 5715 1 11 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.915 1.089 19732 5716 1 11 . 1 1 54 54 ASN H H 54 7.666 7.666 7.866 -0.200 19732 5717 1 11 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.203 -0.174 19732 5718 1 11 . 1 1 55 55 PRO C C 55 177.787 177.787 178.603 -0.816 19732 5719 1 11 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.045 -0.459 19732 5720 1 11 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.979 0.384 19732 5721 1 11 . 1 1 56 56 GLU N N 56 117.292 117.292 117.022 0.270 19732 5722 1 11 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.302 -0.232 19732 5723 1 11 . 1 1 56 56 GLU C C 56 179.258 179.258 179.261 -0.003 19732 5724 1 11 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.886 -0.414 19732 5725 1 11 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.825 0.299 19732 5726 1 11 . 1 1 56 56 GLU H H 56 8.153 8.153 8.963 -0.810 19732 5727 1 11 . 1 1 57 57 VAL N N 57 120.730 120.730 120.765 -0.035 19732 5728 1 11 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.864 -0.296 19732 5729 1 11 . 1 1 57 57 VAL C C 57 178.039 178.039 178.039 0.000 19732 5730 1 11 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.341 -0.376 19732 5731 1 11 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.696 0.289 19732 5732 1 11 . 1 1 57 57 VAL H H 57 7.556 7.556 7.339 0.217 19732 5733 1 11 . 1 1 58 58 ILE N N 58 119.892 119.892 119.416 0.476 19732 5734 1 11 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.691 0.019 19732 5735 1 11 . 1 1 58 58 ILE C C 58 178.096 178.096 177.552 0.544 19732 5736 1 11 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.891 1.321 19732 5737 1 11 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.302 1.016 19732 5738 1 11 . 1 1 58 58 ILE H H 58 7.784 7.784 8.582 -0.798 19732 5739 1 11 . 1 1 59 59 HIS N N 59 117.644 117.644 119.959 -2.315 19732 5740 1 11 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.370 -0.223 19732 5741 1 11 . 1 1 59 59 HIS C C 59 177.576 177.576 177.622 -0.046 19732 5742 1 11 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.967 0.528 19732 5743 1 11 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.451 -0.172 19732 5744 1 11 . 1 1 59 59 HIS H H 59 8.350 8.350 8.268 0.082 19732 5745 1 11 . 1 1 60 60 ARG N N 60 118.248 118.248 119.408 -1.160 19732 5746 1 11 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.807 0.239 19732 5747 1 11 . 1 1 60 60 ARG C C 60 179.642 179.642 178.630 1.012 19732 5748 1 11 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.736 0.210 19732 5749 1 11 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.998 0.309 19732 5750 1 11 . 1 1 60 60 ARG H H 60 7.776 7.776 8.157 -0.381 19732 5751 1 11 . 1 1 61 61 GLN N N 61 119.475 119.475 118.443 1.032 19732 5752 1 11 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.004 0.062 19732 5753 1 11 . 1 1 61 61 GLN C C 61 178.650 178.650 178.603 0.047 19732 5754 1 11 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.868 0.157 19732 5755 1 11 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.655 -0.503 19732 5756 1 11 . 1 1 61 61 GLN H H 61 8.460 8.460 7.569 0.891 19732 5757 1 11 . 1 1 62 62 LEU N N 62 117.882 117.882 119.188 -1.306 19732 5758 1 11 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.125 0.003 19732 5759 1 11 . 1 1 62 62 LEU C C 62 179.260 179.260 179.100 0.160 19732 5760 1 11 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.866 1.129 19732 5761 1 11 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.304 0.327 19732 5762 1 11 . 1 1 62 62 LEU H H 62 8.742 8.742 8.363 0.379 19732 5763 1 11 . 1 1 63 63 ASN N N 63 117.409 117.409 118.251 -0.842 19732 5764 1 11 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.319 -0.089 19732 5765 1 11 . 1 1 63 63 ASN C C 63 178.050 178.050 177.600 0.450 19732 5766 1 11 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.530 0.135 19732 5767 1 11 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.524 0.154 19732 5768 1 11 . 1 1 63 63 ASN H H 63 8.279 8.279 8.383 -0.104 19732 5769 1 11 . 1 1 64 64 ARG N N 64 119.753 119.753 119.247 0.506 19732 5770 1 11 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.078 -0.036 19732 5771 1 11 . 1 1 64 64 ARG C C 64 178.914 178.914 178.753 0.161 19732 5772 1 11 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.500 0.360 19732 5773 1 11 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.803 -0.034 19732 5774 1 11 . 1 1 64 64 ARG H H 64 7.784 7.784 7.805 -0.021 19732 5775 1 11 . 1 1 65 65 LEU N N 65 120.009 120.009 119.739 0.270 19732 5776 1 11 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.003 -0.064 19732 5777 1 11 . 1 1 65 65 LEU C C 65 178.481 178.481 178.687 -0.206 19732 5778 1 11 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.411 0.896 19732 5779 1 11 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.588 0.869 19732 5780 1 11 . 1 1 65 65 LEU H H 65 7.779 7.779 7.579 0.200 19732 5781 1 11 . 1 1 66 66 PHE N N 66 118.503 118.503 120.803 -2.300 19732 5782 1 11 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.191 -0.216 19732 5783 1 11 . 1 1 66 66 PHE C C 66 178.269 178.269 176.358 1.911 19732 5784 1 11 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.616 0.221 19732 5785 1 11 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.287 -0.536 19732 5786 1 11 . 1 1 66 66 PHE H H 66 8.287 8.287 7.857 0.430 19732 5787 1 11 . 1 1 67 67 ALA N N 67 119.206 119.206 119.151 0.055 19732 5788 1 11 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.074 -0.175 19732 5789 1 11 . 1 1 67 67 ALA C C 67 178.876 178.876 179.183 -0.307 19732 5790 1 11 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.954 -0.296 19732 5791 1 11 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.650 -0.609 19732 5792 1 11 . 1 1 67 67 ALA H H 67 7.902 7.902 8.191 -0.289 19732 5793 1 11 . 1 1 68 68 GLN N N 68 115.534 115.534 116.968 -1.434 19732 5794 1 11 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.300 -0.185 19732 5795 1 11 . 1 1 68 68 GLN C C 68 177.274 177.274 176.958 0.316 19732 5796 1 11 . 1 1 68 68 GLN CA C 68 56.396 56.396 55.857 0.539 19732 5797 1 11 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.941 -1.100 19732 5798 1 11 . 1 1 68 68 GLN H H 68 7.572 7.572 7.649 -0.077 19732 5799 1 11 . 1 1 69 69 GLY N N 69 106.861 106.861 105.758 1.103 19732 5800 1 11 . 1 1 69 69 GLY C C 69 173.690 173.690 173.518 0.172 19732 5801 1 11 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.501 -1.614 19732 5802 1 11 . 1 1 69 69 GLY H H 69 7.486 7.486 8.021 -0.535 19732 5803 1 11 . 1 1 70 70 MET N N 70 119.355 119.355 120.086 -0.731 19732 5804 1 11 . 1 1 70 70 MET HA H 70 4.117 4.117 4.302 -0.185 19732 5805 1 11 . 1 1 70 70 MET C C 70 177.743 177.743 177.203 0.540 19732 5806 1 11 . 1 1 70 70 MET CA C 70 57.396 57.396 57.671 -0.275 19732 5807 1 11 . 1 1 70 70 MET CB C 70 30.638 30.638 31.936 -1.298 19732 5808 1 11 . 1 1 70 70 MET H H 70 8.245 8.245 8.468 -0.223 19732 5809 1 11 . 1 1 71 71 ALA N N 71 120.691 120.691 123.258 -2.567 19732 5810 1 11 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.163 -0.100 19732 5811 1 11 . 1 1 71 71 ALA C C 71 181.027 181.027 179.563 1.464 19732 5812 1 11 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.659 0.983 19732 5813 1 11 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.859 -0.294 19732 5814 1 11 . 1 1 71 71 ALA H H 71 8.624 8.624 8.320 0.304 19732 5815 1 11 . 1 1 72 72 THR N N 72 116.354 116.354 114.737 1.617 19732 5816 1 11 . 1 1 72 72 THR HA H 72 3.825 3.825 4.134 -0.309 19732 5817 1 11 . 1 1 72 72 THR C C 72 174.861 174.861 176.011 -1.150 19732 5818 1 11 . 1 1 72 72 THR CA C 72 66.992 66.992 67.280 -0.288 19732 5819 1 11 . 1 1 72 72 THR CB C 72 68.355 68.355 68.544 -0.189 19732 5820 1 11 . 1 1 72 72 THR H H 72 7.525 7.525 7.992 -0.467 19732 5821 1 11 . 1 1 73 73 TRP N N 73 122.292 122.292 122.271 0.021 19732 5822 1 11 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.333 -0.002 19732 5823 1 11 . 1 1 73 73 TRP C C 73 176.757 176.757 177.164 -0.407 19732 5824 1 11 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.745 -0.187 19732 5825 1 11 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.978 0.378 19732 5826 1 11 . 1 1 73 73 TRP H H 73 8.090 8.090 8.015 0.075 19732 5827 1 11 . 1 1 74 74 LYS N N 74 115.768 115.768 117.719 -1.951 19732 5828 1 11 . 1 1 74 74 LYS HA H 74 3.739 3.739 4.103 -0.364 19732 5829 1 11 . 1 1 74 74 LYS C C 74 178.957 178.957 179.467 -0.510 19732 5830 1 11 . 1 1 74 74 LYS CA C 74 60.433 60.433 59.976 0.457 19732 5831 1 11 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.188 0.133 19732 5832 1 11 . 1 1 74 74 LYS H H 74 9.001 9.001 7.700 1.301 19732 5833 1 11 . 1 1 75 75 SER N N 75 115.378 115.378 116.721 -1.343 19732 5834 1 11 . 1 1 75 75 SER HA H 75 4.211 4.211 4.321 -0.110 19732 5835 1 11 . 1 1 75 75 SER C C 75 175.465 175.465 176.459 -0.994 19732 5836 1 11 . 1 1 75 75 SER CA C 75 61.999 61.999 61.259 0.740 19732 5837 1 11 . 1 1 75 75 SER CB C 75 63.160 63.160 63.394 -0.234 19732 5838 1 11 . 1 1 75 75 SER H H 75 7.604 7.604 8.035 -0.431 19732 5839 1 11 . 1 1 76 76 PHE N N 76 121.707 121.707 124.110 -2.403 19732 5840 1 11 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.302 -0.286 19732 5841 1 11 . 1 1 76 76 PHE C C 76 175.983 175.983 176.783 -0.800 19732 5842 1 11 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.394 0.088 19732 5843 1 11 . 1 1 76 76 PHE CB C 76 38.279 38.279 39.000 -0.721 19732 5844 1 11 . 1 1 76 76 PHE H H 76 8.200 8.200 8.156 0.044 19732 5845 1 11 . 1 1 77 77 ILE N N 77 117.448 117.448 118.026 -0.578 19732 5846 1 11 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.450 -0.119 19732 5847 1 11 . 1 1 77 77 ILE C C 77 177.919 177.919 177.967 -0.048 19732 5848 1 11 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.623 -3.129 19732 5849 1 11 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.255 -1.533 19732 5850 1 11 . 1 1 77 77 ILE H H 77 8.193 8.193 8.725 -0.532 19732 5851 1 11 . 1 1 78 78 ASN N N 78 119.831 119.831 118.945 0.886 19732 5852 1 11 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.421 -0.203 19732 5853 1 11 . 1 1 78 78 ASN C C 78 177.228 177.228 177.556 -0.328 19732 5854 1 11 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.759 1.032 19732 5855 1 11 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.611 0.693 19732 5856 1 11 . 1 1 78 78 ASN H H 78 8.224 8.224 7.798 0.426 19732 5857 1 11 . 1 1 79 79 ASP N N 79 119.402 119.402 120.957 -1.555 19732 5858 1 11 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.584 -0.095 19732 5859 1 11 . 1 1 79 79 ASP C C 79 177.600 177.600 178.562 -0.962 19732 5860 1 11 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.019 0.556 19732 5861 1 11 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.900 -0.983 19732 5862 1 11 . 1 1 79 79 ASP H H 79 8.028 8.028 7.695 0.333 19732 5863 1 11 . 1 1 80 80 LEU N N 80 122.293 122.293 121.946 0.347 19732 5864 1 11 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.746 -0.258 19732 5865 1 11 . 1 1 80 80 LEU C C 80 178.561 178.561 178.649 -0.088 19732 5866 1 11 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.375 0.957 19732 5867 1 11 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.194 1.186 19732 5868 1 11 . 1 1 80 80 LEU H H 80 8.491 8.491 8.487 0.004 19732 5869 1 11 . 1 1 81 81 CYS N N 81 114.479 114.479 116.678 -2.199 19732 5870 1 11 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.108 -0.177 19732 5871 1 11 . 1 1 81 81 CYS C C 81 176.754 176.754 176.662 0.092 19732 5872 1 11 . 1 1 81 81 CYS CA C 81 63.543 63.543 61.814 1.729 19732 5873 1 11 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.044 0.613 19732 5874 1 11 . 1 1 81 81 CYS H H 81 8.169 8.169 8.099 0.070 19732 5875 1 11 . 1 1 82 82 PHE N N 82 115.964 115.964 120.913 -4.949 19732 5876 1 11 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.238 0.084 19732 5877 1 11 . 1 1 82 82 PHE C C 82 178.485 178.485 176.991 1.494 19732 5878 1 11 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.233 -0.357 19732 5879 1 11 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.430 0.401 19732 5880 1 11 . 1 1 82 82 PHE H H 82 7.863 7.863 7.518 0.345 19732 5881 1 11 . 1 1 83 83 GLU N N 83 116.314 116.314 118.168 -1.854 19732 5882 1 11 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.023 0.022 19732 5883 1 11 . 1 1 83 83 GLU C C 83 177.877 177.877 178.090 -0.213 19732 5884 1 11 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.609 0.136 19732 5885 1 11 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.205 0.073 19732 5886 1 11 . 1 1 83 83 GLU H H 83 9.049 9.049 8.726 0.323 19732 5887 1 11 . 1 1 84 84 LEU N N 84 116.042 116.042 118.626 -2.584 19732 5888 1 11 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.059 0.178 19732 5889 1 11 . 1 1 84 84 LEU C C 84 175.868 175.868 177.023 -1.155 19732 5890 1 11 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.952 -1.295 19732 5891 1 11 . 1 1 84 84 LEU CB C 84 40.104 40.104 41.989 -1.885 19732 5892 1 11 . 1 1 84 84 LEU H H 84 7.713 7.713 7.196 0.517 19732 5893 1 11 . 1 1 85 85 ASP N N 85 116.940 116.940 118.770 -1.830 19732 5894 1 11 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.319 -0.069 19732 5895 1 11 . 1 1 85 85 ASP C C 85 174.424 174.424 174.979 -0.555 19732 5896 1 11 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.066 -0.381 19732 5897 1 11 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.628 -0.807 19732 5898 1 11 . 1 1 85 85 ASP H H 85 7.164 7.164 7.601 -0.437 19732 5899 1 11 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.529 -0.123 19732 5900 1 11 . 1 1 87 87 PRO C C 87 177.572 177.572 176.792 0.780 19732 5901 1 11 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.588 -0.429 19732 5902 1 11 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.476 0.784 19732 5903 1 11 . 1 1 88 88 LEU N N 88 122.410 122.410 124.699 -2.289 19732 5904 1 11 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.207 -0.276 19732 5905 1 11 . 1 1 88 88 LEU C C 88 179.214 179.214 177.466 1.748 19732 5906 1 11 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.682 1.599 19732 5907 1 11 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.232 -1.152 19732 5908 1 11 . 1 1 88 88 LEU H H 88 8.271 8.271 8.334 -0.063 19732 5909 1 11 . 1 1 91 91 GLU N N 91 121.224 121.224 120.839 0.385 19732 5910 1 11 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.175 -0.638 19732 5911 1 11 . 1 1 91 91 GLU C C 91 176.926 176.926 177.161 -0.235 19732 5912 1 11 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.292 1.787 19732 5913 1 11 . 1 1 91 91 GLU CB C 91 29.485 29.485 28.337 1.148 19732 5914 1 11 . 1 1 91 91 GLU H H 91 7.775 7.775 8.790 -1.015 19732 5915 1 11 . 1 1 92 92 ILE N N 92 115.836 115.836 121.593 -5.757 19732 5916 1 11 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.085 -0.175 19732 5917 1 11 . 1 1 92 92 ILE C C 92 177.704 177.704 175.538 2.166 19732 5918 1 11 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.092 1.938 19732 5919 1 11 . 1 1 92 92 ILE CB C 92 34.451 34.451 35.069 -0.618 19732 5920 1 11 . 1 1 92 92 ILE H H 92 8.259 8.259 8.123 0.136 19732 5921 1 11 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.666 -0.549 19732 5922 1 11 . 1 1 93 93 PRO C C 93 178.653 178.653 178.317 0.336 19732 5923 1 11 . 1 1 93 93 PRO CA C 93 66.003 66.003 65.418 0.585 19732 5924 1 11 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.251 -0.115 19732 5925 1 11 . 1 1 94 94 LEU N N 94 114.952 114.952 116.092 -1.140 19732 5926 1 11 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.421 -0.295 19732 5927 1 11 . 1 1 94 94 LEU C C 94 180.119 180.119 178.325 1.794 19732 5928 1 11 . 1 1 94 94 LEU CA C 94 57.785 57.785 56.686 1.099 19732 5929 1 11 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.815 0.945 19732 5930 1 11 . 1 1 94 94 LEU H H 94 7.657 7.657 7.545 0.112 19732 5931 1 11 . 1 1 95 95 VAL N N 95 119.986 119.986 119.967 0.019 19732 5932 1 11 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.474 -0.466 19732 5933 1 11 . 1 1 95 95 VAL C C 95 177.559 177.559 177.823 -0.264 19732 5934 1 11 . 1 1 95 95 VAL CA C 95 66.666 66.666 65.606 1.060 19732 5935 1 11 . 1 1 95 95 VAL CB C 95 31.714 31.714 32.403 -0.689 19732 5936 1 11 . 1 1 95 95 VAL H H 95 8.873 8.873 7.776 1.097 19732 5937 1 11 . 1 1 96 96 SER N N 96 111.863 111.863 114.330 -2.467 19732 5938 1 11 . 1 1 96 96 SER HA H 96 4.598 4.598 4.428 0.170 19732 5939 1 11 . 1 1 96 96 SER C C 96 175.113 175.113 175.639 -0.526 19732 5940 1 11 . 1 1 96 96 SER CA C 96 59.163 59.163 59.759 -0.596 19732 5941 1 11 . 1 1 96 96 SER CB C 96 63.552 63.552 63.145 0.407 19732 5942 1 11 . 1 1 96 96 SER H H 96 7.823 7.823 8.345 -0.522 19732 5943 1 11 . 1 1 97 97 ILE N N 97 120.300 120.300 120.294 0.006 19732 5944 1 11 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.613 0.206 19732 5945 1 11 . 1 1 97 97 ILE C C 97 174.601 174.601 175.955 -1.354 19732 5946 1 11 . 1 1 97 97 ILE CA C 97 63.804 63.804 63.113 0.691 19732 5947 1 11 . 1 1 97 97 ILE CB C 97 39.059 39.059 37.981 1.078 19732 5948 1 11 . 1 1 97 97 ILE H H 97 7.014 7.014 7.516 -0.502 19732 5949 1 11 . 1 1 98 98 TRP N N 98 120.222 120.222 117.965 2.257 19732 5950 1 11 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.684 -0.622 19732 5951 1 11 . 1 1 98 98 TRP C C 98 176.502 176.502 176.051 0.451 19732 5952 1 11 . 1 1 98 98 TRP CA C 98 57.790 57.790 56.032 1.758 19732 5953 1 11 . 1 1 98 98 TRP CB C 98 28.963 28.963 30.276 -1.313 19732 5954 1 11 . 1 1 98 98 TRP H H 98 7.651 7.651 7.235 0.416 19732 5955 1 11 . 1 1 99 99 GLY N N 99 109.003 109.003 110.036 -1.033 19732 5956 1 11 . 1 1 99 99 GLY C C 99 170.846 170.846 172.286 -1.440 19732 5957 1 11 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.340 0.297 19732 5958 1 11 . 1 1 99 99 GLY H H 99 7.240 7.240 7.591 -0.351 19732 5959 1 11 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.643 -0.344 19732 5960 1 11 . 1 1 100 100 PRO C C 100 176.200 176.200 176.145 0.055 19732 5961 1 11 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.006 -0.002 19732 5962 1 11 . 1 1 100 100 PRO CB C 100 31.808 31.808 32.311 -0.503 19732 5963 1 12 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.572 -0.162 19732 5964 1 12 . 1 1 2 2 PRO C C 2 176.929 176.929 176.240 0.689 19732 5965 1 12 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.936 0.205 19732 5966 1 12 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.164 0.070 19732 5967 1 12 . 1 1 3 3 LEU N N 3 121.746 121.746 119.024 2.722 19732 5968 1 12 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.057 0.220 19732 5969 1 12 . 1 1 3 3 LEU C C 3 177.789 177.789 176.755 1.034 19732 5970 1 12 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.876 0.491 19732 5971 1 12 . 1 1 3 3 LEU CB C 3 42.157 42.157 40.998 1.159 19732 5972 1 12 . 1 1 3 3 LEU H H 3 8.420 8.420 7.707 0.713 19732 5973 1 12 . 1 1 4 4 GLY N N 4 109.400 109.400 110.056 -0.656 19732 5974 1 12 . 1 1 4 4 GLY C C 4 174.208 174.208 175.159 -0.951 19732 5975 1 12 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.448 -0.193 19732 5976 1 12 . 1 1 4 4 GLY H H 4 8.326 8.326 8.418 -0.091 19732 5977 1 12 . 1 1 5 5 SER N N 5 115.339 115.339 118.968 -3.629 19732 5978 1 12 . 1 1 5 5 SER HA H 5 4.363 4.363 4.585 -0.222 19732 5979 1 12 . 1 1 5 5 SER C C 5 174.549 174.549 174.348 0.201 19732 5980 1 12 . 1 1 5 5 SER CA C 5 58.443 58.443 58.364 0.079 19732 5981 1 12 . 1 1 5 5 SER CB C 5 63.773 63.773 62.950 0.823 19732 5982 1 12 . 1 1 5 5 SER H H 5 8.098 8.098 8.319 -0.221 19732 5983 1 12 . 1 1 6 6 MET N N 6 121.404 121.404 124.169 -2.765 19732 5984 1 12 . 1 1 6 6 MET HA H 6 4.427 4.427 4.540 -0.113 19732 5985 1 12 . 1 1 6 6 MET C C 6 175.724 175.724 175.278 0.446 19732 5986 1 12 . 1 1 6 6 MET CA C 6 55.612 55.612 56.452 -0.840 19732 5987 1 12 . 1 1 6 6 MET CB C 6 32.874 32.874 33.479 -0.605 19732 5988 1 12 . 1 1 6 6 MET H H 6 8.326 8.326 8.154 0.172 19732 5989 1 12 . 1 1 7 7 ASP N N 7 120.769 120.769 118.792 1.977 19732 5990 1 12 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.954 -0.437 19732 5991 1 12 . 1 1 7 7 ASP C C 7 176.111 176.111 175.682 0.429 19732 5992 1 12 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.341 -0.205 19732 5993 1 12 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.175 1.110 19732 5994 1 12 . 1 1 7 7 ASP H H 7 8.114 8.114 8.533 -0.419 19732 5995 1 12 . 1 1 8 8 ALA N N 8 123.543 123.543 121.429 2.114 19732 5996 1 12 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.256 -0.197 19732 5997 1 12 . 1 1 8 8 ALA C C 8 178.788 178.788 178.551 0.237 19732 5998 1 12 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.203 -0.272 19732 5999 1 12 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.966 -0.039 19732 6000 1 12 . 1 1 8 8 ALA H H 8 8.248 8.248 7.588 0.660 19732 6001 1 12 . 1 1 9 9 GLU N N 9 118.034 118.034 118.939 -0.905 19732 6002 1 12 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.016 0.110 19732 6003 1 12 . 1 1 9 9 GLU C C 9 177.485 177.485 179.151 -1.666 19732 6004 1 12 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.385 -1.544 19732 6005 1 12 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.154 1.448 19732 6006 1 12 . 1 1 9 9 GLU H H 9 8.255 8.255 8.591 -0.336 19732 6007 1 12 . 1 1 10 10 SER N N 10 115.260 115.260 115.334 -0.074 19732 6008 1 12 . 1 1 10 10 SER HA H 10 4.232 4.232 4.248 -0.016 19732 6009 1 12 . 1 1 10 10 SER C C 10 175.552 175.552 175.362 0.190 19732 6010 1 12 . 1 1 10 10 SER CA C 10 60.015 60.015 61.294 -1.278 19732 6011 1 12 . 1 1 10 10 SER CB C 10 63.225 63.225 62.910 0.314 19732 6012 1 12 . 1 1 10 10 SER H H 10 7.992 7.992 8.242 -0.250 19732 6013 1 12 . 1 1 11 11 ILE N N 11 121.199 121.199 120.270 0.929 19732 6014 1 12 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.005 -0.115 19732 6015 1 12 . 1 1 11 11 ILE C C 11 176.411 176.411 177.655 -1.244 19732 6016 1 12 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.123 -0.374 19732 6017 1 12 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.331 -0.059 19732 6018 1 12 . 1 1 11 11 ILE H H 11 7.729 7.729 7.364 0.365 19732 6019 1 12 . 1 1 12 12 ARG N N 12 121.248 121.248 118.320 2.928 19732 6020 1 12 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.342 -0.229 19732 6021 1 12 . 1 1 12 12 ARG C C 12 176.970 176.970 176.602 0.368 19732 6022 1 12 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.206 0.871 19732 6023 1 12 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.879 -0.383 19732 6024 1 12 . 1 1 12 12 ARG H H 12 7.853 7.853 7.658 0.195 19732 6025 1 12 . 1 1 13 13 LEU N N 13 120.701 120.701 116.620 4.081 19732 6026 1 12 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.895 0.323 19732 6027 1 12 . 1 1 13 13 LEU C C 13 177.620 177.620 175.440 2.180 19732 6028 1 12 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.572 -0.274 19732 6029 1 12 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.926 1.248 19732 6030 1 12 . 1 1 13 13 LEU H H 13 8.020 8.020 8.482 -0.462 19732 6031 1 12 . 1 1 16 16 GLU N N 16 120.417 120.417 121.469 -1.052 19732 6032 1 12 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.113 0.012 19732 6033 1 12 . 1 1 16 16 GLU C C 16 178.929 178.929 178.002 0.927 19732 6034 1 12 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.701 -0.096 19732 6035 1 12 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.934 -0.543 19732 6036 1 12 . 1 1 16 16 GLU H H 16 8.465 8.465 8.946 -0.481 19732 6037 1 12 . 1 1 17 17 ASN N N 17 118.855 118.855 119.822 -0.967 19732 6038 1 12 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.551 0.068 19732 6039 1 12 . 1 1 17 17 ASN C C 17 177.835 177.835 177.613 0.222 19732 6040 1 12 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.298 -0.760 19732 6041 1 12 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.283 -0.072 19732 6042 1 12 . 1 1 17 17 ASN H H 17 8.428 8.428 8.012 0.416 19732 6043 1 12 . 1 1 18 18 LEU N N 18 123.972 123.972 120.991 2.981 19732 6044 1 12 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.197 0.023 19732 6045 1 12 . 1 1 18 18 LEU C C 18 178.248 178.248 177.939 0.309 19732 6046 1 12 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.737 0.148 19732 6047 1 12 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.762 -0.065 19732 6048 1 12 . 1 1 18 18 LEU H H 18 8.208 8.208 7.962 0.246 19732 6049 1 12 . 1 1 19 19 TRP N N 19 119.362 119.362 120.750 -1.388 19732 6050 1 12 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.285 -0.118 19732 6051 1 12 . 1 1 19 19 TRP C C 19 177.617 177.617 177.658 -0.041 19732 6052 1 12 . 1 1 19 19 TRP CA C 19 60.896 60.896 59.653 1.243 19732 6053 1 12 . 1 1 19 19 TRP CB C 19 29.427 29.427 30.186 -0.759 19732 6054 1 12 . 1 1 19 19 TRP H H 19 8.316 8.316 7.795 0.521 19732 6055 1 12 . 1 1 20 20 ALA N N 20 118.581 118.581 122.099 -3.518 19732 6056 1 12 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.719 0.331 19732 6057 1 12 . 1 1 20 20 ALA C C 20 180.422 180.422 178.901 1.521 19732 6058 1 12 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.152 0.012 19732 6059 1 12 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.706 0.334 19732 6060 1 12 . 1 1 20 20 ALA H H 20 7.957 7.957 8.695 -0.738 19732 6061 1 12 . 1 1 21 21 TRP N N 21 119.753 119.753 119.741 0.012 19732 6062 1 12 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.161 -0.268 19732 6063 1 12 . 1 1 21 21 TRP C C 21 177.494 177.494 177.754 -0.260 19732 6064 1 12 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.806 1.292 19732 6065 1 12 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.225 -0.582 19732 6066 1 12 . 1 1 21 21 TRP H H 21 8.043 8.043 8.491 -0.448 19732 6067 1 12 . 1 1 22 22 LEU N N 22 122.136 122.136 118.121 4.015 19732 6068 1 12 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.512 -0.073 19732 6069 1 12 . 1 1 22 22 LEU C C 22 178.075 178.075 178.695 -0.620 19732 6070 1 12 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.517 0.238 19732 6071 1 12 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.608 0.362 19732 6072 1 12 . 1 1 22 22 LEU H H 22 8.553 8.553 7.187 1.366 19732 6073 1 12 . 1 1 23 23 VAL N N 23 118.034 118.034 119.416 -1.382 19732 6074 1 12 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.239 0.074 19732 6075 1 12 . 1 1 23 23 VAL C C 23 178.401 178.401 178.004 0.397 19732 6076 1 12 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.420 -0.296 19732 6077 1 12 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.996 0.304 19732 6078 1 12 . 1 1 23 23 VAL H H 23 8.341 8.341 8.083 0.258 19732 6079 1 12 . 1 1 24 24 ARG N N 24 120.377 120.377 117.173 3.204 19732 6080 1 12 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.978 -0.164 19732 6081 1 12 . 1 1 24 24 ARG C C 24 179.205 179.205 178.218 0.987 19732 6082 1 12 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.076 1.028 19732 6083 1 12 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.019 0.017 19732 6084 1 12 . 1 1 24 24 ARG H H 24 7.856 7.856 7.489 0.367 19732 6085 1 12 . 1 1 25 25 LEU N N 25 121.668 121.668 120.232 1.436 19732 6086 1 12 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.946 -0.283 19732 6087 1 12 . 1 1 25 25 LEU C C 25 179.943 179.943 178.872 1.071 19732 6088 1 12 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.010 1.038 19732 6089 1 12 . 1 1 25 25 LEU CB C 25 41.028 41.028 41.378 -0.350 19732 6090 1 12 . 1 1 25 25 LEU H H 25 7.838 7.838 7.309 0.529 19732 6091 1 12 . 1 1 26 26 LEU N N 26 118.308 118.308 118.358 -0.050 19732 6092 1 12 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.049 -0.138 19732 6093 1 12 . 1 1 26 26 LEU C C 26 179.471 179.471 179.437 0.034 19732 6094 1 12 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.823 -0.350 19732 6095 1 12 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.891 0.138 19732 6096 1 12 . 1 1 26 26 LEU H H 26 8.247 8.247 8.674 -0.427 19732 6097 1 12 . 1 1 27 27 SER N N 27 115.768 115.768 113.980 1.788 19732 6098 1 12 . 1 1 27 27 SER HA H 27 4.020 4.020 4.272 -0.252 19732 6099 1 12 . 1 1 27 27 SER C C 27 174.990 174.990 174.764 0.226 19732 6100 1 12 . 1 1 27 27 SER CA C 27 61.755 61.755 61.007 0.748 19732 6101 1 12 . 1 1 27 27 SER CB C 27 62.755 62.755 62.718 0.037 19732 6102 1 12 . 1 1 27 27 SER H H 27 8.436 8.436 7.765 0.671 19732 6103 1 12 . 1 1 28 28 LYS N N 28 117.644 117.644 118.121 -0.477 19732 6104 1 12 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.323 -0.009 19732 6105 1 12 . 1 1 28 28 LYS C C 28 175.979 175.979 176.220 -0.241 19732 6106 1 12 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.725 -0.538 19732 6107 1 12 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.987 -0.196 19732 6108 1 12 . 1 1 28 28 LYS H H 28 7.014 7.014 7.714 -0.700 19732 6109 1 12 . 1 1 29 29 ASN N N 29 118.347 118.347 118.122 0.225 19732 6110 1 12 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.234 0.048 19732 6111 1 12 . 1 1 29 29 ASN C C 29 171.835 171.835 173.390 -1.555 19732 6112 1 12 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.294 1.031 19732 6113 1 12 . 1 1 29 29 ASN CB C 29 41.626 41.626 38.947 2.679 19732 6114 1 12 . 1 1 29 29 ASN H H 29 7.611 7.611 7.696 -0.085 19732 6115 1 12 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.605 -0.154 19732 6116 1 12 . 1 1 30 30 PRO C C 30 179.560 179.560 177.968 1.592 19732 6117 1 12 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.845 1.024 19732 6118 1 12 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.057 -0.655 19732 6119 1 12 . 1 1 31 31 GLU N N 31 119.636 119.636 118.180 1.456 19732 6120 1 12 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.287 -0.161 19732 6121 1 12 . 1 1 31 31 GLU C C 31 179.253 179.253 178.859 0.394 19732 6122 1 12 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.269 0.403 19732 6123 1 12 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.946 -0.581 19732 6124 1 12 . 1 1 31 31 GLU H H 31 8.593 8.593 8.962 -0.369 19732 6125 1 12 . 1 1 32 32 TRP N N 32 122.293 122.293 122.712 -0.419 19732 6126 1 12 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.454 -0.421 19732 6127 1 12 . 1 1 32 32 TRP C C 32 178.055 178.055 177.808 0.247 19732 6128 1 12 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.127 0.729 19732 6129 1 12 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.651 -0.535 19732 6130 1 12 . 1 1 32 32 TRP H H 32 7.933 7.933 7.373 0.560 19732 6131 1 12 . 1 1 33 33 LEU N N 33 117.409 117.409 121.150 -3.741 19732 6132 1 12 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.603 0.287 19732 6133 1 12 . 1 1 33 33 LEU C C 33 177.934 177.934 178.638 -0.704 19732 6134 1 12 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.015 0.163 19732 6135 1 12 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.365 0.193 19732 6136 1 12 . 1 1 33 33 LEU H H 33 8.012 8.012 8.601 -0.589 19732 6137 1 12 . 1 1 34 34 SER N N 34 113.257 113.257 114.836 -1.579 19732 6138 1 12 . 1 1 34 34 SER HA H 34 3.975 3.975 4.114 -0.139 19732 6139 1 12 . 1 1 34 34 SER C C 34 176.363 176.363 176.684 -0.321 19732 6140 1 12 . 1 1 34 34 SER CA C 34 62.194 62.194 61.856 0.338 19732 6141 1 12 . 1 1 34 34 SER CB C 34 62.739 62.739 62.746 -0.007 19732 6142 1 12 . 1 1 34 34 SER H H 34 8.335 8.335 8.395 -0.060 19732 6143 1 12 . 1 1 35 35 ALA N N 35 121.511 121.511 125.201 -3.690 19732 6144 1 12 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.907 0.050 19732 6145 1 12 . 1 1 35 35 ALA C C 35 180.728 180.728 179.581 1.147 19732 6146 1 12 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.846 0.043 19732 6147 1 12 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.295 -0.520 19732 6148 1 12 . 1 1 35 35 ALA H H 35 7.391 7.391 7.372 0.019 19732 6149 1 12 . 1 1 36 36 LYS N N 36 118.386 118.386 118.765 -0.379 19732 6150 1 12 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.032 -0.198 19732 6151 1 12 . 1 1 36 36 LYS C C 36 179.578 179.578 179.445 0.133 19732 6152 1 12 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.871 -1.274 19732 6153 1 12 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.084 -1.601 19732 6154 1 12 . 1 1 36 36 LYS H H 36 7.823 7.823 7.534 0.289 19732 6155 1 12 . 1 1 37 37 LEU N N 37 119.480 119.480 120.264 -0.784 19732 6156 1 12 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.184 -0.294 19732 6157 1 12 . 1 1 37 37 LEU C C 37 178.529 178.529 178.662 -0.133 19732 6158 1 12 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.145 0.502 19732 6159 1 12 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.364 -0.216 19732 6160 1 12 . 1 1 37 37 LEU H H 37 8.725 8.725 8.643 0.082 19732 6161 1 12 . 1 1 38 38 ARG N N 38 115.612 115.612 117.452 -1.840 19732 6162 1 12 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.041 -0.044 19732 6163 1 12 . 1 1 38 38 ARG C C 38 177.661 177.661 177.594 0.067 19732 6164 1 12 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.757 -0.245 19732 6165 1 12 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.500 0.435 19732 6166 1 12 . 1 1 38 38 ARG H H 38 7.446 7.446 8.017 -0.571 19732 6167 1 12 . 1 1 39 39 SER N N 39 111.883 111.883 113.756 -1.873 19732 6168 1 12 . 1 1 39 39 SER HA H 39 4.160 4.160 4.189 -0.029 19732 6169 1 12 . 1 1 39 39 SER C C 39 175.401 175.401 175.511 -0.110 19732 6170 1 12 . 1 1 39 39 SER CA C 39 60.359 60.359 60.125 0.234 19732 6171 1 12 . 1 1 39 39 SER CB C 39 63.228 63.228 62.957 0.271 19732 6172 1 12 . 1 1 39 39 SER H H 39 7.353 7.353 7.609 -0.256 19732 6173 1 12 . 1 1 40 40 PHE N N 40 117.136 117.136 119.754 -2.618 19732 6174 1 12 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.377 0.237 19732 6175 1 12 . 1 1 40 40 PHE C C 40 175.852 175.852 176.490 -0.638 19732 6176 1 12 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.350 -0.640 19732 6177 1 12 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.161 2.533 19732 6178 1 12 . 1 1 40 40 PHE H H 40 7.792 7.792 7.128 0.664 19732 6179 1 12 . 1 1 41 41 LEU N N 41 119.050 119.050 119.692 -0.642 19732 6180 1 12 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.435 0.442 19732 6181 1 12 . 1 1 41 41 LEU C C 41 174.510 174.510 176.880 -2.370 19732 6182 1 12 . 1 1 41 41 LEU CA C 41 52.092 52.092 53.636 -1.544 19732 6183 1 12 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.195 0.842 19732 6184 1 12 . 1 1 41 41 LEU H H 41 8.114 8.114 8.243 -0.129 19732 6185 1 12 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.321 -0.019 19732 6186 1 12 . 1 1 42 42 PRO C C 42 177.620 177.620 177.581 0.039 19732 6187 1 12 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.946 -1.175 19732 6188 1 12 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.057 -0.376 19732 6189 1 12 . 1 1 43 43 THR N N 43 109.752 109.752 106.992 2.760 19732 6190 1 12 . 1 1 43 43 THR HA H 43 4.256 4.256 4.360 -0.104 19732 6191 1 12 . 1 1 43 43 THR C C 43 174.467 174.467 174.118 0.349 19732 6192 1 12 . 1 1 43 43 THR CA C 43 61.657 61.657 60.825 0.832 19732 6193 1 12 . 1 1 43 43 THR CB C 43 69.450 69.450 69.036 0.414 19732 6194 1 12 . 1 1 43 43 THR H H 43 7.671 7.671 7.921 -0.250 19732 6195 1 12 . 1 1 44 44 MET N N 44 121.568 121.568 120.707 0.861 19732 6196 1 12 . 1 1 44 44 MET HA H 44 4.363 4.363 4.053 0.310 19732 6197 1 12 . 1 1 44 44 MET C C 44 175.373 175.373 175.007 0.366 19732 6198 1 12 . 1 1 44 44 MET CA C 44 55.710 55.710 56.279 -0.569 19732 6199 1 12 . 1 1 44 44 MET CB C 44 32.989 32.989 31.506 1.483 19732 6200 1 12 . 1 1 44 44 MET H H 44 8.037 8.037 7.223 0.814 19732 6201 1 12 . 1 1 45 45 ASP N N 45 121.980 121.980 123.360 -1.380 19732 6202 1 12 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.793 -0.272 19732 6203 1 12 . 1 1 45 45 ASP C C 45 176.022 176.022 175.190 0.832 19732 6204 1 12 . 1 1 45 45 ASP CA C 45 54.371 54.371 54.106 0.265 19732 6205 1 12 . 1 1 45 45 ASP CB C 45 41.147 41.147 39.712 1.435 19732 6206 1 12 . 1 1 45 45 ASP H H 45 8.230 8.230 8.632 -0.402 19732 6207 1 12 . 1 1 46 46 LEU N N 46 122.192 122.192 119.912 2.280 19732 6208 1 12 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.402 -0.258 19732 6209 1 12 . 1 1 46 46 LEU C C 46 177.018 177.018 178.144 -1.126 19732 6210 1 12 . 1 1 46 46 LEU CA C 46 55.913 55.913 56.135 -0.222 19732 6211 1 12 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.587 -0.412 19732 6212 1 12 . 1 1 46 46 LEU H H 46 8.028 8.028 7.348 0.680 19732 6213 1 12 . 1 1 47 47 ASP N N 47 120.573 120.573 118.568 2.005 19732 6214 1 12 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.467 0.058 19732 6215 1 12 . 1 1 47 47 ASP C C 47 176.370 176.370 176.482 -0.112 19732 6216 1 12 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.243 -1.036 19732 6217 1 12 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.511 0.643 19732 6218 1 12 . 1 1 47 47 ASP H H 47 8.238 8.238 8.498 -0.260 19732 6219 1 12 . 1 1 48 48 CYS N N 48 118.464 118.464 116.847 1.617 19732 6220 1 12 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.012 0.417 19732 6221 1 12 . 1 1 48 48 CYS C C 48 174.340 174.340 174.988 -0.648 19732 6222 1 12 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.862 -0.349 19732 6223 1 12 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.618 0.335 19732 6224 1 12 . 1 1 48 48 CYS H H 48 8.068 8.068 7.841 0.227 19732 6225 1 12 . 1 1 49 49 SER N N 49 116.784 116.784 117.278 -0.494 19732 6226 1 12 . 1 1 49 49 SER HA H 49 4.302 4.302 4.303 -0.001 19732 6227 1 12 . 1 1 49 49 SER C C 49 173.897 173.897 174.381 -0.484 19732 6228 1 12 . 1 1 49 49 SER CA C 49 58.718 58.718 58.389 0.329 19732 6229 1 12 . 1 1 49 49 SER CB C 49 63.636 63.636 61.762 1.874 19732 6230 1 12 . 1 1 49 49 SER H H 49 8.185 8.185 7.499 0.686 19732 6231 1 12 . 1 1 50 50 TYR N N 50 120.886 120.886 120.627 0.259 19732 6232 1 12 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.613 -0.101 19732 6233 1 12 . 1 1 50 50 TYR C C 50 174.818 174.818 176.174 -1.356 19732 6234 1 12 . 1 1 50 50 TYR CA C 50 57.486 57.486 56.041 1.445 19732 6235 1 12 . 1 1 50 50 TYR CB C 50 38.796 38.796 37.681 1.115 19732 6236 1 12 . 1 1 50 50 TYR H H 50 7.776 7.776 7.796 -0.020 19732 6237 1 12 . 1 1 51 51 GLU N N 51 122.800 122.800 120.516 2.284 19732 6238 1 12 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.850 -0.295 19732 6239 1 12 . 1 1 51 51 GLU C C 51 174.508 174.508 174.495 0.013 19732 6240 1 12 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.145 0.783 19732 6241 1 12 . 1 1 51 51 GLU CB C 51 30.225 30.225 29.950 0.275 19732 6242 1 12 . 1 1 51 51 GLU H H 51 8.026 8.026 8.033 -0.007 19732 6243 1 12 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.459 -0.157 19732 6244 1 12 . 1 1 52 52 PRO C C 52 176.065 176.065 177.357 -1.292 19732 6245 1 12 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.584 1.100 19732 6246 1 12 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.430 -0.867 19732 6247 1 12 . 1 1 53 53 SER N N 53 110.611 110.611 114.503 -3.892 19732 6248 1 12 . 1 1 53 53 SER HA H 53 4.302 4.302 4.281 0.021 19732 6249 1 12 . 1 1 53 53 SER C C 53 173.858 173.858 173.559 0.299 19732 6250 1 12 . 1 1 53 53 SER CA C 53 58.508 58.508 58.226 0.282 19732 6251 1 12 . 1 1 53 53 SER CB C 53 63.636 63.636 62.157 1.479 19732 6252 1 12 . 1 1 53 53 SER H H 53 7.934 7.934 8.551 -0.617 19732 6253 1 12 . 1 1 54 54 ASN N N 54 121.155 121.155 122.540 -1.385 19732 6254 1 12 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.838 0.040 19732 6255 1 12 . 1 1 54 54 ASN C C 54 174.167 174.167 175.052 -0.885 19732 6256 1 12 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.109 -0.638 19732 6257 1 12 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.510 0.494 19732 6258 1 12 . 1 1 54 54 ASN H H 54 7.666 7.666 7.797 -0.131 19732 6259 1 12 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.127 -0.098 19732 6260 1 12 . 1 1 55 55 PRO C C 55 177.787 177.787 178.774 -0.987 19732 6261 1 12 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.072 -0.486 19732 6262 1 12 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.002 0.361 19732 6263 1 12 . 1 1 56 56 GLU N N 56 117.292 117.292 117.251 0.041 19732 6264 1 12 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.394 -0.324 19732 6265 1 12 . 1 1 56 56 GLU C C 56 179.258 179.258 179.191 0.067 19732 6266 1 12 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.194 0.278 19732 6267 1 12 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.207 -0.083 19732 6268 1 12 . 1 1 56 56 GLU H H 56 8.153 8.153 8.977 -0.824 19732 6269 1 12 . 1 1 57 57 VAL N N 57 120.730 120.730 120.816 -0.086 19732 6270 1 12 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.828 -0.260 19732 6271 1 12 . 1 1 57 57 VAL C C 57 178.039 178.039 177.951 0.088 19732 6272 1 12 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.241 -0.276 19732 6273 1 12 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.769 0.216 19732 6274 1 12 . 1 1 57 57 VAL H H 57 7.556 7.556 7.456 0.100 19732 6275 1 12 . 1 1 58 58 ILE N N 58 119.892 119.892 119.829 0.063 19732 6276 1 12 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.742 -0.032 19732 6277 1 12 . 1 1 58 58 ILE C C 58 178.096 178.096 177.979 0.117 19732 6278 1 12 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.314 0.898 19732 6279 1 12 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.576 0.742 19732 6280 1 12 . 1 1 58 58 ILE H H 58 7.784 7.784 8.224 -0.440 19732 6281 1 12 . 1 1 59 59 HIS N N 59 117.644 117.644 119.917 -2.273 19732 6282 1 12 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.552 -0.405 19732 6283 1 12 . 1 1 59 59 HIS C C 59 177.576 177.576 177.703 -0.127 19732 6284 1 12 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.562 -0.067 19732 6285 1 12 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.485 -0.206 19732 6286 1 12 . 1 1 59 59 HIS H H 59 8.350 8.350 8.740 -0.390 19732 6287 1 12 . 1 1 60 60 ARG N N 60 118.248 118.248 118.618 -0.370 19732 6288 1 12 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.907 0.139 19732 6289 1 12 . 1 1 60 60 ARG C C 60 179.642 179.642 178.580 1.062 19732 6290 1 12 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.846 0.100 19732 6291 1 12 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.030 0.277 19732 6292 1 12 . 1 1 60 60 ARG H H 60 7.776 7.776 8.046 -0.270 19732 6293 1 12 . 1 1 61 61 GLN N N 61 119.475 119.475 118.415 1.060 19732 6294 1 12 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.080 -0.014 19732 6295 1 12 . 1 1 61 61 GLN C C 61 178.650 178.650 178.527 0.123 19732 6296 1 12 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.629 0.396 19732 6297 1 12 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.763 -0.611 19732 6298 1 12 . 1 1 61 61 GLN H H 61 8.460 8.460 7.679 0.781 19732 6299 1 12 . 1 1 62 62 LEU N N 62 117.882 117.882 119.551 -1.669 19732 6300 1 12 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.319 -0.191 19732 6301 1 12 . 1 1 62 62 LEU C C 62 179.260 179.260 178.720 0.540 19732 6302 1 12 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.870 1.125 19732 6303 1 12 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.335 0.296 19732 6304 1 12 . 1 1 62 62 LEU H H 62 8.742 8.742 8.402 0.340 19732 6305 1 12 . 1 1 63 63 ASN N N 63 117.409 117.409 118.126 -0.717 19732 6306 1 12 . 1 1 63 63 ASN HA H 63 4.230 4.230 3.671 0.559 19732 6307 1 12 . 1 1 63 63 ASN C C 63 178.050 178.050 176.986 1.064 19732 6308 1 12 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.507 0.158 19732 6309 1 12 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.449 0.229 19732 6310 1 12 . 1 1 63 63 ASN H H 63 8.279 8.279 8.336 -0.057 19732 6311 1 12 . 1 1 64 64 ARG N N 64 119.753 119.753 118.540 1.213 19732 6312 1 12 . 1 1 64 64 ARG HA H 64 4.042 4.042 3.994 0.048 19732 6313 1 12 . 1 1 64 64 ARG C C 64 178.914 178.914 178.758 0.156 19732 6314 1 12 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.495 0.365 19732 6315 1 12 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.546 0.223 19732 6316 1 12 . 1 1 64 64 ARG H H 64 7.784 7.784 7.821 -0.037 19732 6317 1 12 . 1 1 65 65 LEU N N 65 120.009 120.009 119.254 0.755 19732 6318 1 12 . 1 1 65 65 LEU HA H 65 3.939 3.939 3.998 -0.059 19732 6319 1 12 . 1 1 65 65 LEU C C 65 178.481 178.481 178.750 -0.269 19732 6320 1 12 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.550 0.757 19732 6321 1 12 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.584 0.874 19732 6322 1 12 . 1 1 65 65 LEU H H 65 7.779 7.779 7.578 0.201 19732 6323 1 12 . 1 1 66 66 PHE N N 66 118.503 118.503 120.298 -1.795 19732 6324 1 12 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.273 -0.298 19732 6325 1 12 . 1 1 66 66 PHE C C 66 178.269 178.269 176.093 2.176 19732 6326 1 12 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.883 0.954 19732 6327 1 12 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.445 0.306 19732 6328 1 12 . 1 1 66 66 PHE H H 66 8.287 8.287 7.368 0.919 19732 6329 1 12 . 1 1 67 67 ALA N N 67 119.206 119.206 119.897 -0.691 19732 6330 1 12 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.855 0.044 19732 6331 1 12 . 1 1 67 67 ALA C C 67 178.876 178.876 179.435 -0.559 19732 6332 1 12 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.886 -0.228 19732 6333 1 12 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.577 -0.536 19732 6334 1 12 . 1 1 67 67 ALA H H 67 7.902 7.902 7.940 -0.038 19732 6335 1 12 . 1 1 68 68 GLN N N 68 115.534 115.534 116.896 -1.362 19732 6336 1 12 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.229 -0.114 19732 6337 1 12 . 1 1 68 68 GLN C C 68 177.274 177.274 177.097 0.177 19732 6338 1 12 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.149 0.247 19732 6339 1 12 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.846 -1.004 19732 6340 1 12 . 1 1 68 68 GLN H H 68 7.572 7.572 7.619 -0.047 19732 6341 1 12 . 1 1 69 69 GLY N N 69 106.861 106.861 104.953 1.908 19732 6342 1 12 . 1 1 69 69 GLY C C 69 173.690 173.690 173.395 0.295 19732 6343 1 12 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.347 -1.460 19732 6344 1 12 . 1 1 69 69 GLY H H 69 7.486 7.486 8.012 -0.526 19732 6345 1 12 . 1 1 70 70 MET N N 70 119.355 119.355 122.454 -3.099 19732 6346 1 12 . 1 1 70 70 MET HA H 70 4.117 4.117 4.394 -0.277 19732 6347 1 12 . 1 1 70 70 MET C C 70 177.743 177.743 176.942 0.801 19732 6348 1 12 . 1 1 70 70 MET CA C 70 57.396 57.396 57.864 -0.468 19732 6349 1 12 . 1 1 70 70 MET CB C 70 30.638 30.638 32.772 -2.134 19732 6350 1 12 . 1 1 70 70 MET H H 70 8.245 8.245 8.663 -0.418 19732 6351 1 12 . 1 1 71 71 ALA N N 71 120.691 120.691 121.539 -0.848 19732 6352 1 12 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.098 -0.035 19732 6353 1 12 . 1 1 71 71 ALA C C 71 181.027 181.027 179.396 1.631 19732 6354 1 12 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.151 0.491 19732 6355 1 12 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.694 -0.129 19732 6356 1 12 . 1 1 71 71 ALA H H 71 8.624 8.624 8.535 0.089 19732 6357 1 12 . 1 1 72 72 THR N N 72 116.354 116.354 115.537 0.817 19732 6358 1 12 . 1 1 72 72 THR HA H 72 3.825 3.825 4.060 -0.235 19732 6359 1 12 . 1 1 72 72 THR C C 72 174.861 174.861 176.427 -1.566 19732 6360 1 12 . 1 1 72 72 THR CA C 72 66.992 66.992 67.053 -0.061 19732 6361 1 12 . 1 1 72 72 THR CB C 72 68.355 68.355 68.447 -0.092 19732 6362 1 12 . 1 1 72 72 THR H H 72 7.525 7.525 7.897 -0.372 19732 6363 1 12 . 1 1 73 73 TRP N N 73 122.292 122.292 122.947 -0.655 19732 6364 1 12 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.319 0.012 19732 6365 1 12 . 1 1 73 73 TRP C C 73 176.757 176.757 177.638 -0.881 19732 6366 1 12 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.741 -0.182 19732 6367 1 12 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.996 0.360 19732 6368 1 12 . 1 1 73 73 TRP H H 73 8.090 8.090 8.274 -0.184 19732 6369 1 12 . 1 1 74 74 LYS N N 74 115.768 115.768 117.708 -1.940 19732 6370 1 12 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.920 -0.181 19732 6371 1 12 . 1 1 74 74 LYS C C 74 178.957 178.957 179.289 -0.332 19732 6372 1 12 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.247 0.186 19732 6373 1 12 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.156 0.166 19732 6374 1 12 . 1 1 74 74 LYS H H 74 9.001 9.001 8.560 0.441 19732 6375 1 12 . 1 1 75 75 SER N N 75 115.378 115.378 115.924 -0.546 19732 6376 1 12 . 1 1 75 75 SER HA H 75 4.211 4.211 4.306 -0.095 19732 6377 1 12 . 1 1 75 75 SER C C 75 175.465 175.465 176.045 -0.580 19732 6378 1 12 . 1 1 75 75 SER CA C 75 61.999 61.999 61.957 0.042 19732 6379 1 12 . 1 1 75 75 SER CB C 75 63.160 63.160 63.261 -0.101 19732 6380 1 12 . 1 1 75 75 SER H H 75 7.604 7.604 8.050 -0.446 19732 6381 1 12 . 1 1 76 76 PHE N N 76 121.707 121.707 124.396 -2.689 19732 6382 1 12 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.224 -0.208 19732 6383 1 12 . 1 1 76 76 PHE C C 76 175.983 175.983 176.918 -0.935 19732 6384 1 12 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.161 0.321 19732 6385 1 12 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.963 -0.684 19732 6386 1 12 . 1 1 76 76 PHE H H 76 8.200 8.200 8.265 -0.065 19732 6387 1 12 . 1 1 77 77 ILE N N 77 117.448 117.448 117.898 -0.450 19732 6388 1 12 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.361 -0.030 19732 6389 1 12 . 1 1 77 77 ILE C C 77 177.919 177.919 177.732 0.187 19732 6390 1 12 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.418 -2.924 19732 6391 1 12 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.077 -1.355 19732 6392 1 12 . 1 1 77 77 ILE H H 77 8.193 8.193 8.557 -0.364 19732 6393 1 12 . 1 1 78 78 ASN N N 78 119.831 119.831 119.796 0.035 19732 6394 1 12 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.466 -0.248 19732 6395 1 12 . 1 1 78 78 ASN C C 78 177.228 177.228 177.967 -0.739 19732 6396 1 12 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.421 1.370 19732 6397 1 12 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.700 0.604 19732 6398 1 12 . 1 1 78 78 ASN H H 78 8.224 8.224 7.698 0.526 19732 6399 1 12 . 1 1 79 79 ASP N N 79 119.402 119.402 122.029 -2.627 19732 6400 1 12 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.400 0.089 19732 6401 1 12 . 1 1 79 79 ASP C C 79 177.600 177.600 178.409 -0.809 19732 6402 1 12 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.755 -0.180 19732 6403 1 12 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.905 -0.988 19732 6404 1 12 . 1 1 79 79 ASP H H 79 8.028 8.028 7.888 0.140 19732 6405 1 12 . 1 1 80 80 LEU N N 80 122.293 122.293 121.772 0.521 19732 6406 1 12 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.738 -0.250 19732 6407 1 12 . 1 1 80 80 LEU C C 80 178.561 178.561 178.669 -0.108 19732 6408 1 12 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.246 1.086 19732 6409 1 12 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.191 1.189 19732 6410 1 12 . 1 1 80 80 LEU H H 80 8.491 8.491 8.347 0.144 19732 6411 1 12 . 1 1 81 81 CYS N N 81 114.479 114.479 116.939 -2.460 19732 6412 1 12 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.145 -0.214 19732 6413 1 12 . 1 1 81 81 CYS C C 81 176.754 176.754 177.126 -0.372 19732 6414 1 12 . 1 1 81 81 CYS CA C 81 63.543 63.543 61.122 2.421 19732 6415 1 12 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.158 0.499 19732 6416 1 12 . 1 1 81 81 CYS H H 81 8.169 8.169 8.225 -0.056 19732 6417 1 12 . 1 1 82 82 PHE N N 82 115.964 115.964 122.492 -6.528 19732 6418 1 12 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.126 0.196 19732 6419 1 12 . 1 1 82 82 PHE C C 82 178.485 178.485 177.138 1.347 19732 6420 1 12 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.950 -1.073 19732 6421 1 12 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.330 0.502 19732 6422 1 12 . 1 1 82 82 PHE H H 82 7.863 7.863 8.189 -0.326 19732 6423 1 12 . 1 1 83 83 GLU N N 83 116.314 116.314 117.880 -1.566 19732 6424 1 12 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.226 -0.181 19732 6425 1 12 . 1 1 83 83 GLU C C 83 177.877 177.877 178.201 -0.324 19732 6426 1 12 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.584 0.161 19732 6427 1 12 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.140 0.138 19732 6428 1 12 . 1 1 83 83 GLU H H 83 9.049 9.049 8.538 0.511 19732 6429 1 12 . 1 1 84 84 LEU N N 84 116.042 116.042 117.600 -1.558 19732 6430 1 12 . 1 1 84 84 LEU HA H 84 4.237 4.237 3.963 0.274 19732 6431 1 12 . 1 1 84 84 LEU C C 84 175.868 175.868 177.594 -1.726 19732 6432 1 12 . 1 1 84 84 LEU CA C 84 53.657 53.657 56.339 -2.682 19732 6433 1 12 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.220 -2.116 19732 6434 1 12 . 1 1 84 84 LEU H H 84 7.713 7.713 7.620 0.093 19732 6435 1 12 . 1 1 85 85 ASP N N 85 116.940 116.940 116.973 -0.033 19732 6436 1 12 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.697 -0.447 19732 6437 1 12 . 1 1 85 85 ASP C C 85 174.424 174.424 174.863 -0.439 19732 6438 1 12 . 1 1 85 85 ASP CA C 85 54.685 54.685 53.986 0.699 19732 6439 1 12 . 1 1 85 85 ASP CB C 85 38.821 38.821 43.783 -4.962 19732 6440 1 12 . 1 1 85 85 ASP H H 85 7.164 7.164 7.794 -0.630 19732 6441 1 12 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.325 0.081 19732 6442 1 12 . 1 1 87 87 PRO C C 87 177.572 177.572 176.521 1.051 19732 6443 1 12 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.723 -0.564 19732 6444 1 12 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.783 0.477 19732 6445 1 12 . 1 1 88 88 LEU N N 88 122.410 122.410 126.474 -4.064 19732 6446 1 12 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.341 -0.410 19732 6447 1 12 . 1 1 88 88 LEU C C 88 179.214 179.214 177.667 1.547 19732 6448 1 12 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.093 2.188 19732 6449 1 12 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.146 -1.066 19732 6450 1 12 . 1 1 88 88 LEU H H 88 8.271 8.271 8.251 0.020 19732 6451 1 12 . 1 1 91 91 GLU N N 91 121.224 121.224 122.815 -1.591 19732 6452 1 12 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.109 -0.572 19732 6453 1 12 . 1 1 91 91 GLU C C 91 176.926 176.926 177.638 -0.712 19732 6454 1 12 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.251 1.828 19732 6455 1 12 . 1 1 91 91 GLU CB C 91 29.485 29.485 28.066 1.419 19732 6456 1 12 . 1 1 91 91 GLU H H 91 7.775 7.775 8.495 -0.720 19732 6457 1 12 . 1 1 92 92 ILE N N 92 115.836 115.836 121.308 -5.472 19732 6458 1 12 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.058 -0.148 19732 6459 1 12 . 1 1 92 92 ILE C C 92 177.704 177.704 175.663 2.041 19732 6460 1 12 . 1 1 92 92 ILE CA C 92 66.030 66.030 65.048 0.982 19732 6461 1 12 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.426 0.025 19732 6462 1 12 . 1 1 92 92 ILE H H 92 8.259 8.259 8.418 -0.159 19732 6463 1 12 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.459 -0.342 19732 6464 1 12 . 1 1 93 93 PRO C C 93 178.653 178.653 178.657 -0.004 19732 6465 1 12 . 1 1 93 93 PRO CA C 93 66.003 66.003 65.949 0.054 19732 6466 1 12 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.476 -0.340 19732 6467 1 12 . 1 1 94 94 LEU N N 94 114.952 114.952 115.517 -0.565 19732 6468 1 12 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.267 -0.141 19732 6469 1 12 . 1 1 94 94 LEU C C 94 180.119 180.119 179.115 1.004 19732 6470 1 12 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.096 0.689 19732 6471 1 12 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.444 1.316 19732 6472 1 12 . 1 1 94 94 LEU H H 94 7.657 7.657 7.341 0.316 19732 6473 1 12 . 1 1 95 95 VAL N N 95 119.986 119.986 120.801 -0.815 19732 6474 1 12 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.231 -0.223 19732 6475 1 12 . 1 1 95 95 VAL C C 95 177.559 177.559 177.587 -0.028 19732 6476 1 12 . 1 1 95 95 VAL CA C 95 66.666 66.666 64.968 1.698 19732 6477 1 12 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.889 -0.175 19732 6478 1 12 . 1 1 95 95 VAL H H 95 8.873 8.873 8.310 0.562 19732 6479 1 12 . 1 1 96 96 SER N N 96 111.863 111.863 114.310 -2.447 19732 6480 1 12 . 1 1 96 96 SER HA H 96 4.598 4.598 4.352 0.246 19732 6481 1 12 . 1 1 96 96 SER C C 96 175.113 175.113 175.456 -0.343 19732 6482 1 12 . 1 1 96 96 SER CA C 96 59.163 59.163 59.023 0.140 19732 6483 1 12 . 1 1 96 96 SER CB C 96 63.552 63.552 62.397 1.155 19732 6484 1 12 . 1 1 96 96 SER H H 96 7.823 7.823 8.280 -0.457 19732 6485 1 12 . 1 1 97 97 ILE N N 97 120.300 120.300 121.633 -1.333 19732 6486 1 12 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.812 0.007 19732 6487 1 12 . 1 1 97 97 ILE C C 97 174.601 174.601 175.423 -0.822 19732 6488 1 12 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.834 0.970 19732 6489 1 12 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.159 0.900 19732 6490 1 12 . 1 1 97 97 ILE H H 97 7.014 7.014 7.058 -0.044 19732 6491 1 12 . 1 1 98 98 TRP N N 98 120.222 120.222 120.338 -0.116 19732 6492 1 12 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.389 -0.327 19732 6493 1 12 . 1 1 98 98 TRP C C 98 176.502 176.502 176.206 0.296 19732 6494 1 12 . 1 1 98 98 TRP CA C 98 57.790 57.790 54.630 3.160 19732 6495 1 12 . 1 1 98 98 TRP CB C 98 28.963 28.963 27.881 1.081 19732 6496 1 12 . 1 1 98 98 TRP H H 98 7.651 7.651 6.960 0.691 19732 6497 1 12 . 1 1 99 99 GLY N N 99 109.003 109.003 113.352 -4.349 19732 6498 1 12 . 1 1 99 99 GLY C C 99 170.846 170.846 173.698 -2.852 19732 6499 1 12 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.645 -0.008 19732 6500 1 12 . 1 1 99 99 GLY H H 99 7.240 7.240 8.152 -0.912 19732 6501 1 12 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.669 -0.370 19732 6502 1 12 . 1 1 100 100 PRO C C 100 176.200 176.200 175.970 0.230 19732 6503 1 12 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.441 0.563 19732 6504 1 12 . 1 1 100 100 PRO CB C 100 31.808 31.808 32.408 -0.600 19732 6505 1 13 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.417 -0.007 19732 6506 1 13 . 1 1 2 2 PRO C C 2 176.929 176.929 177.006 -0.077 19732 6507 1 13 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.616 -0.475 19732 6508 1 13 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.045 0.188 19732 6509 1 13 . 1 1 3 3 LEU N N 3 121.746 121.746 117.883 3.863 19732 6510 1 13 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.638 -0.361 19732 6511 1 13 . 1 1 3 3 LEU C C 3 177.789 177.789 176.761 1.028 19732 6512 1 13 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.786 0.581 19732 6513 1 13 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.146 0.011 19732 6514 1 13 . 1 1 3 3 LEU H H 3 8.420 8.420 7.467 0.953 19732 6515 1 13 . 1 1 4 4 GLY N N 4 109.400 109.400 110.421 -1.021 19732 6516 1 13 . 1 1 4 4 GLY C C 4 174.208 174.208 174.199 0.009 19732 6517 1 13 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.845 0.410 19732 6518 1 13 . 1 1 4 4 GLY H H 4 8.326 8.326 8.599 -0.273 19732 6519 1 13 . 1 1 5 5 SER N N 5 115.339 115.339 115.177 0.162 19732 6520 1 13 . 1 1 5 5 SER HA H 5 4.363 4.363 4.229 0.134 19732 6521 1 13 . 1 1 5 5 SER C C 5 174.549 174.549 174.474 0.075 19732 6522 1 13 . 1 1 5 5 SER CA C 5 58.443 58.443 58.554 -0.111 19732 6523 1 13 . 1 1 5 5 SER CB C 5 63.773 63.773 62.441 1.332 19732 6524 1 13 . 1 1 5 5 SER H H 5 8.098 8.098 8.493 -0.395 19732 6525 1 13 . 1 1 6 6 MET N N 6 121.404 121.404 120.915 0.489 19732 6526 1 13 . 1 1 6 6 MET HA H 6 4.427 4.427 4.408 0.019 19732 6527 1 13 . 1 1 6 6 MET C C 6 175.724 175.724 176.066 -0.342 19732 6528 1 13 . 1 1 6 6 MET CA C 6 55.612 55.612 55.741 -0.129 19732 6529 1 13 . 1 1 6 6 MET CB C 6 32.874 32.874 32.398 0.476 19732 6530 1 13 . 1 1 6 6 MET H H 6 8.326 8.326 8.581 -0.255 19732 6531 1 13 . 1 1 7 7 ASP N N 7 120.769 120.769 118.207 2.562 19732 6532 1 13 . 1 1 7 7 ASP HA H 7 4.517 4.517 5.019 -0.502 19732 6533 1 13 . 1 1 7 7 ASP C C 7 176.111 176.111 176.645 -0.534 19732 6534 1 13 . 1 1 7 7 ASP CA C 7 54.136 54.136 53.974 0.162 19732 6535 1 13 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.364 0.921 19732 6536 1 13 . 1 1 7 7 ASP H H 7 8.114 8.114 8.278 -0.164 19732 6537 1 13 . 1 1 8 8 ALA N N 8 123.543 123.543 122.216 1.327 19732 6538 1 13 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.210 -0.151 19732 6539 1 13 . 1 1 8 8 ALA C C 8 178.788 178.788 178.281 0.507 19732 6540 1 13 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.657 -0.726 19732 6541 1 13 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.793 0.134 19732 6542 1 13 . 1 1 8 8 ALA H H 8 8.248 8.248 7.477 0.771 19732 6543 1 13 . 1 1 9 9 GLU N N 9 118.034 118.034 118.128 -0.094 19732 6544 1 13 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.963 0.163 19732 6545 1 13 . 1 1 9 9 GLU C C 9 177.485 177.485 178.779 -1.294 19732 6546 1 13 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.183 -1.343 19732 6547 1 13 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.196 1.406 19732 6548 1 13 . 1 1 9 9 GLU H H 9 8.255 8.255 8.472 -0.217 19732 6549 1 13 . 1 1 10 10 SER N N 10 115.260 115.260 115.507 -0.247 19732 6550 1 13 . 1 1 10 10 SER HA H 10 4.232 4.232 4.251 -0.019 19732 6551 1 13 . 1 1 10 10 SER C C 10 175.552 175.552 175.568 -0.016 19732 6552 1 13 . 1 1 10 10 SER CA C 10 60.015 60.015 61.003 -0.988 19732 6553 1 13 . 1 1 10 10 SER CB C 10 63.225 63.225 62.967 0.258 19732 6554 1 13 . 1 1 10 10 SER H H 10 7.992 7.992 7.834 0.158 19732 6555 1 13 . 1 1 11 11 ILE N N 11 121.199 121.199 120.691 0.508 19732 6556 1 13 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.022 -0.132 19732 6557 1 13 . 1 1 11 11 ILE C C 11 176.411 176.411 177.600 -1.189 19732 6558 1 13 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.442 -0.692 19732 6559 1 13 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.445 -0.172 19732 6560 1 13 . 1 1 11 11 ILE H H 11 7.729 7.729 7.309 0.420 19732 6561 1 13 . 1 1 12 12 ARG N N 12 121.248 121.248 118.318 2.930 19732 6562 1 13 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.344 -0.231 19732 6563 1 13 . 1 1 12 12 ARG C C 12 176.970 176.970 175.941 1.029 19732 6564 1 13 . 1 1 12 12 ARG CA C 12 57.077 57.077 55.956 1.121 19732 6565 1 13 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.125 -0.629 19732 6566 1 13 . 1 1 12 12 ARG H H 12 7.853 7.853 8.090 -0.237 19732 6567 1 13 . 1 1 13 13 LEU N N 13 120.701 120.701 118.548 2.153 19732 6568 1 13 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.986 0.232 19732 6569 1 13 . 1 1 13 13 LEU C C 13 177.620 177.620 176.712 0.908 19732 6570 1 13 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.486 -0.189 19732 6571 1 13 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.871 1.303 19732 6572 1 13 . 1 1 13 13 LEU H H 13 8.020 8.020 8.243 -0.223 19732 6573 1 13 . 1 1 16 16 GLU N N 16 120.417 120.417 124.628 -4.211 19732 6574 1 13 . 1 1 16 16 GLU HA H 16 4.125 4.125 3.958 0.167 19732 6575 1 13 . 1 1 16 16 GLU C C 16 178.929 178.929 177.986 0.943 19732 6576 1 13 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.924 -0.319 19732 6577 1 13 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.491 -0.100 19732 6578 1 13 . 1 1 16 16 GLU H H 16 8.465 8.465 8.949 -0.484 19732 6579 1 13 . 1 1 17 17 ASN N N 17 118.855 118.855 118.723 0.132 19732 6580 1 13 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.554 0.065 19732 6581 1 13 . 1 1 17 17 ASN C C 17 177.835 177.835 177.484 0.351 19732 6582 1 13 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.423 -0.885 19732 6583 1 13 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.643 -0.432 19732 6584 1 13 . 1 1 17 17 ASN H H 17 8.428 8.428 8.869 -0.441 19732 6585 1 13 . 1 1 18 18 LEU N N 18 123.972 123.972 119.709 4.263 19732 6586 1 13 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.274 -0.054 19732 6587 1 13 . 1 1 18 18 LEU C C 18 178.248 178.248 178.996 -0.748 19732 6588 1 13 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.192 -0.307 19732 6589 1 13 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.634 0.063 19732 6590 1 13 . 1 1 18 18 LEU H H 18 8.208 8.208 7.929 0.279 19732 6591 1 13 . 1 1 19 19 TRP N N 19 119.362 119.362 121.523 -2.161 19732 6592 1 13 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.401 -0.235 19732 6593 1 13 . 1 1 19 19 TRP C C 19 177.617 177.617 177.706 -0.089 19732 6594 1 13 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.645 0.251 19732 6595 1 13 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.774 -0.347 19732 6596 1 13 . 1 1 19 19 TRP H H 19 8.316 8.316 7.461 0.855 19732 6597 1 13 . 1 1 20 20 ALA N N 20 118.581 118.581 122.568 -3.987 19732 6598 1 13 . 1 1 20 20 ALA HA H 20 4.050 4.050 4.014 0.036 19732 6599 1 13 . 1 1 20 20 ALA C C 20 180.422 180.422 179.102 1.320 19732 6600 1 13 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.402 -0.238 19732 6601 1 13 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.917 0.123 19732 6602 1 13 . 1 1 20 20 ALA H H 20 7.957 7.957 8.592 -0.635 19732 6603 1 13 . 1 1 21 21 TRP N N 21 119.753 119.753 120.710 -0.957 19732 6604 1 13 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.257 -0.364 19732 6605 1 13 . 1 1 21 21 TRP C C 21 177.494 177.494 177.757 -0.263 19732 6606 1 13 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.241 1.857 19732 6607 1 13 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.587 -0.944 19732 6608 1 13 . 1 1 21 21 TRP H H 21 8.043 8.043 8.560 -0.517 19732 6609 1 13 . 1 1 22 22 LEU N N 22 122.136 122.136 120.984 1.152 19732 6610 1 13 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.416 0.023 19732 6611 1 13 . 1 1 22 22 LEU C C 22 178.075 178.075 178.694 -0.619 19732 6612 1 13 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.746 0.009 19732 6613 1 13 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.173 0.797 19732 6614 1 13 . 1 1 22 22 LEU H H 22 8.553 8.553 8.118 0.435 19732 6615 1 13 . 1 1 23 23 VAL N N 23 118.034 118.034 118.694 -0.660 19732 6616 1 13 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.217 0.096 19732 6617 1 13 . 1 1 23 23 VAL C C 23 178.401 178.401 178.071 0.330 19732 6618 1 13 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.946 0.178 19732 6619 1 13 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.317 -0.017 19732 6620 1 13 . 1 1 23 23 VAL H H 23 8.341 8.341 8.248 0.093 19732 6621 1 13 . 1 1 24 24 ARG N N 24 120.377 120.377 118.390 1.987 19732 6622 1 13 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.916 -0.102 19732 6623 1 13 . 1 1 24 24 ARG C C 24 179.205 179.205 178.779 0.426 19732 6624 1 13 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.488 0.616 19732 6625 1 13 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.106 -0.070 19732 6626 1 13 . 1 1 24 24 ARG H H 24 7.856 7.856 8.150 -0.294 19732 6627 1 13 . 1 1 25 25 LEU N N 25 121.668 121.668 121.024 0.644 19732 6628 1 13 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.908 -0.245 19732 6629 1 13 . 1 1 25 25 LEU C C 25 179.943 179.943 179.024 0.919 19732 6630 1 13 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.521 0.527 19732 6631 1 13 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.888 0.140 19732 6632 1 13 . 1 1 25 25 LEU H H 25 7.838 7.838 7.984 -0.146 19732 6633 1 13 . 1 1 26 26 LEU N N 26 118.308 118.308 118.050 0.258 19732 6634 1 13 . 1 1 26 26 LEU HA H 26 3.911 3.911 3.998 -0.087 19732 6635 1 13 . 1 1 26 26 LEU C C 26 179.471 179.471 179.365 0.106 19732 6636 1 13 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.608 -0.135 19732 6637 1 13 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.732 0.297 19732 6638 1 13 . 1 1 26 26 LEU H H 26 8.247 8.247 8.171 0.076 19732 6639 1 13 . 1 1 27 27 SER N N 27 115.768 115.768 114.413 1.355 19732 6640 1 13 . 1 1 27 27 SER HA H 27 4.020 4.020 4.217 -0.197 19732 6641 1 13 . 1 1 27 27 SER C C 27 174.990 174.990 174.828 0.162 19732 6642 1 13 . 1 1 27 27 SER CA C 27 61.755 61.755 61.194 0.561 19732 6643 1 13 . 1 1 27 27 SER CB C 27 62.755 62.755 62.648 0.107 19732 6644 1 13 . 1 1 27 27 SER H H 27 8.436 8.436 7.995 0.441 19732 6645 1 13 . 1 1 28 28 LYS N N 28 117.644 117.644 118.827 -1.183 19732 6646 1 13 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.283 0.031 19732 6647 1 13 . 1 1 28 28 LYS C C 28 175.979 175.979 176.201 -0.222 19732 6648 1 13 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.493 -0.306 19732 6649 1 13 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.493 0.298 19732 6650 1 13 . 1 1 28 28 LYS H H 28 7.014 7.014 7.436 -0.422 19732 6651 1 13 . 1 1 29 29 ASN N N 29 118.347 118.347 117.501 0.846 19732 6652 1 13 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.245 0.037 19732 6653 1 13 . 1 1 29 29 ASN C C 29 171.835 171.835 173.447 -1.612 19732 6654 1 13 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.616 0.709 19732 6655 1 13 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.878 1.748 19732 6656 1 13 . 1 1 29 29 ASN H H 29 7.611 7.611 7.697 -0.086 19732 6657 1 13 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.512 -0.061 19732 6658 1 13 . 1 1 30 30 PRO C C 30 179.560 179.560 178.454 1.106 19732 6659 1 13 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.149 0.720 19732 6660 1 13 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.043 -0.641 19732 6661 1 13 . 1 1 31 31 GLU N N 31 119.636 119.636 118.118 1.518 19732 6662 1 13 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.181 -0.055 19732 6663 1 13 . 1 1 31 31 GLU C C 31 179.253 179.253 178.717 0.536 19732 6664 1 13 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.485 0.187 19732 6665 1 13 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.321 -0.956 19732 6666 1 13 . 1 1 31 31 GLU H H 31 8.593 8.593 8.919 -0.326 19732 6667 1 13 . 1 1 32 32 TRP N N 32 122.293 122.293 121.821 0.472 19732 6668 1 13 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.380 -0.347 19732 6669 1 13 . 1 1 32 32 TRP C C 32 178.055 178.055 177.926 0.129 19732 6670 1 13 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.993 0.862 19732 6671 1 13 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.805 -0.689 19732 6672 1 13 . 1 1 32 32 TRP H H 32 7.933 7.933 7.595 0.338 19732 6673 1 13 . 1 1 33 33 LEU N N 33 117.409 117.409 121.200 -3.791 19732 6674 1 13 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.822 0.068 19732 6675 1 13 . 1 1 33 33 LEU C C 33 177.934 177.934 178.732 -0.798 19732 6676 1 13 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.211 -0.033 19732 6677 1 13 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.401 0.157 19732 6678 1 13 . 1 1 33 33 LEU H H 33 8.012 8.012 8.602 -0.590 19732 6679 1 13 . 1 1 34 34 SER N N 34 113.257 113.257 114.326 -1.069 19732 6680 1 13 . 1 1 34 34 SER HA H 34 3.975 3.975 4.037 -0.062 19732 6681 1 13 . 1 1 34 34 SER C C 34 176.363 176.363 176.602 -0.239 19732 6682 1 13 . 1 1 34 34 SER CA C 34 62.194 62.194 61.730 0.465 19732 6683 1 13 . 1 1 34 34 SER CB C 34 62.739 62.739 62.501 0.238 19732 6684 1 13 . 1 1 34 34 SER H H 34 8.335 8.335 8.277 0.058 19732 6685 1 13 . 1 1 35 35 ALA N N 35 121.511 121.511 124.808 -3.297 19732 6686 1 13 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.963 -0.006 19732 6687 1 13 . 1 1 35 35 ALA C C 35 180.728 180.728 179.667 1.061 19732 6688 1 13 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.957 -0.068 19732 6689 1 13 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.132 -0.357 19732 6690 1 13 . 1 1 35 35 ALA H H 35 7.391 7.391 7.416 -0.025 19732 6691 1 13 . 1 1 36 36 LYS N N 36 118.386 118.386 117.601 0.785 19732 6692 1 13 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.000 -0.166 19732 6693 1 13 . 1 1 36 36 LYS C C 36 179.578 179.578 179.048 0.530 19732 6694 1 13 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.669 -1.072 19732 6695 1 13 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.827 -1.344 19732 6696 1 13 . 1 1 36 36 LYS H H 36 7.823 7.823 7.339 0.484 19732 6697 1 13 . 1 1 37 37 LEU N N 37 119.480 119.480 120.029 -0.549 19732 6698 1 13 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.150 -0.260 19732 6699 1 13 . 1 1 37 37 LEU C C 37 178.529 178.529 178.876 -0.347 19732 6700 1 13 . 1 1 37 37 LEU CA C 37 58.647 58.647 57.963 0.684 19732 6701 1 13 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.113 0.035 19732 6702 1 13 . 1 1 37 37 LEU H H 37 8.725 8.725 8.432 0.293 19732 6703 1 13 . 1 1 38 38 ARG N N 38 115.612 115.612 118.338 -2.726 19732 6704 1 13 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.066 -0.069 19732 6705 1 13 . 1 1 38 38 ARG C C 38 177.661 177.661 178.076 -0.415 19732 6706 1 13 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.333 -0.821 19732 6707 1 13 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.911 0.024 19732 6708 1 13 . 1 1 38 38 ARG H H 38 7.446 7.446 7.549 -0.103 19732 6709 1 13 . 1 1 39 39 SER N N 39 111.883 111.883 114.054 -2.171 19732 6710 1 13 . 1 1 39 39 SER HA H 39 4.160 4.160 4.145 0.015 19732 6711 1 13 . 1 1 39 39 SER C C 39 175.401 175.401 175.349 0.052 19732 6712 1 13 . 1 1 39 39 SER CA C 39 60.359 60.359 60.765 -0.406 19732 6713 1 13 . 1 1 39 39 SER CB C 39 63.228 63.228 62.771 0.457 19732 6714 1 13 . 1 1 39 39 SER H H 39 7.353 7.353 7.320 0.033 19732 6715 1 13 . 1 1 40 40 PHE N N 40 117.136 117.136 118.318 -1.182 19732 6716 1 13 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.518 0.096 19732 6717 1 13 . 1 1 40 40 PHE C C 40 175.852 175.852 175.554 0.298 19732 6718 1 13 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.867 -0.157 19732 6719 1 13 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.930 1.764 19732 6720 1 13 . 1 1 40 40 PHE H H 40 7.792 7.792 7.558 0.234 19732 6721 1 13 . 1 1 41 41 LEU N N 41 119.050 119.050 118.672 0.378 19732 6722 1 13 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.815 0.062 19732 6723 1 13 . 1 1 41 41 LEU C C 41 174.510 174.510 176.152 -1.642 19732 6724 1 13 . 1 1 41 41 LEU CA C 41 52.092 52.092 50.986 1.106 19732 6725 1 13 . 1 1 41 41 LEU CB C 41 42.037 42.037 40.940 1.097 19732 6726 1 13 . 1 1 41 41 LEU H H 41 8.114 8.114 8.094 0.020 19732 6727 1 13 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.551 -0.249 19732 6728 1 13 . 1 1 42 42 PRO C C 42 177.620 177.620 177.261 0.359 19732 6729 1 13 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.229 -0.458 19732 6730 1 13 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.334 -0.653 19732 6731 1 13 . 1 1 43 43 THR N N 43 109.752 109.752 113.872 -4.120 19732 6732 1 13 . 1 1 43 43 THR HA H 43 4.256 4.256 4.407 -0.151 19732 6733 1 13 . 1 1 43 43 THR C C 43 174.467 174.467 173.372 1.095 19732 6734 1 13 . 1 1 43 43 THR CA C 43 61.657 61.657 61.259 0.398 19732 6735 1 13 . 1 1 43 43 THR CB C 43 69.450 69.450 68.425 1.025 19732 6736 1 13 . 1 1 43 43 THR H H 43 7.671 7.671 7.921 -0.250 19732 6737 1 13 . 1 1 44 44 MET N N 44 121.568 121.568 123.683 -2.115 19732 6738 1 13 . 1 1 44 44 MET HA H 44 4.363 4.363 4.400 -0.037 19732 6739 1 13 . 1 1 44 44 MET C C 44 175.373 175.373 175.391 -0.018 19732 6740 1 13 . 1 1 44 44 MET CA C 44 55.710 55.710 54.884 0.826 19732 6741 1 13 . 1 1 44 44 MET CB C 44 32.989 32.989 32.744 0.245 19732 6742 1 13 . 1 1 44 44 MET H H 44 8.037 8.037 7.609 0.428 19732 6743 1 13 . 1 1 45 45 ASP N N 45 121.980 121.980 128.950 -6.970 19732 6744 1 13 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.795 -0.274 19732 6745 1 13 . 1 1 45 45 ASP C C 45 176.022 176.022 175.845 0.177 19732 6746 1 13 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.355 1.016 19732 6747 1 13 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.552 0.595 19732 6748 1 13 . 1 1 45 45 ASP H H 45 8.230 8.230 8.688 -0.458 19732 6749 1 13 . 1 1 46 46 LEU N N 46 122.192 122.192 120.463 1.729 19732 6750 1 13 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.449 -0.305 19732 6751 1 13 . 1 1 46 46 LEU C C 46 177.018 177.018 177.226 -0.208 19732 6752 1 13 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.576 0.337 19732 6753 1 13 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.098 0.078 19732 6754 1 13 . 1 1 46 46 LEU H H 46 8.028 8.028 7.454 0.574 19732 6755 1 13 . 1 1 47 47 ASP N N 47 120.573 120.573 119.225 1.348 19732 6756 1 13 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.382 0.143 19732 6757 1 13 . 1 1 47 47 ASP C C 47 176.370 176.370 175.908 0.462 19732 6758 1 13 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.740 -1.534 19732 6759 1 13 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.761 0.393 19732 6760 1 13 . 1 1 47 47 ASP H H 47 8.238 8.238 8.558 -0.320 19732 6761 1 13 . 1 1 48 48 CYS N N 48 118.464 118.464 120.570 -2.106 19732 6762 1 13 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.587 -0.158 19732 6763 1 13 . 1 1 48 48 CYS C C 48 174.340 174.340 174.161 0.179 19732 6764 1 13 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.399 0.114 19732 6765 1 13 . 1 1 48 48 CYS CB C 48 27.953 27.953 28.454 -0.501 19732 6766 1 13 . 1 1 48 48 CYS H H 48 8.068 8.068 7.534 0.534 19732 6767 1 13 . 1 1 49 49 SER N N 49 116.784 116.784 122.003 -5.219 19732 6768 1 13 . 1 1 49 49 SER HA H 49 4.302 4.302 4.254 0.048 19732 6769 1 13 . 1 1 49 49 SER C C 49 173.897 173.897 174.505 -0.608 19732 6770 1 13 . 1 1 49 49 SER CA C 49 58.718 58.718 57.639 1.079 19732 6771 1 13 . 1 1 49 49 SER CB C 49 63.636 63.636 62.285 1.351 19732 6772 1 13 . 1 1 49 49 SER H H 49 8.185 8.185 8.732 -0.547 19732 6773 1 13 . 1 1 50 50 TYR N N 50 120.886 120.886 124.088 -3.202 19732 6774 1 13 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.324 0.188 19732 6775 1 13 . 1 1 50 50 TYR C C 50 174.818 174.818 176.002 -1.184 19732 6776 1 13 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.935 -1.449 19732 6777 1 13 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.169 0.628 19732 6778 1 13 . 1 1 50 50 TYR H H 50 7.776 7.776 7.448 0.328 19732 6779 1 13 . 1 1 51 51 GLU N N 51 122.800 122.800 119.176 3.624 19732 6780 1 13 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.701 -0.146 19732 6781 1 13 . 1 1 51 51 GLU C C 51 174.508 174.508 174.623 -0.115 19732 6782 1 13 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.113 0.815 19732 6783 1 13 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.790 -1.565 19732 6784 1 13 . 1 1 51 51 GLU H H 51 8.026 8.026 8.039 -0.013 19732 6785 1 13 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.474 -0.172 19732 6786 1 13 . 1 1 52 52 PRO C C 52 176.065 176.065 177.189 -1.124 19732 6787 1 13 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.444 1.240 19732 6788 1 13 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.375 -0.812 19732 6789 1 13 . 1 1 53 53 SER N N 53 110.611 110.611 115.129 -4.518 19732 6790 1 13 . 1 1 53 53 SER HA H 53 4.302 4.302 4.320 -0.018 19732 6791 1 13 . 1 1 53 53 SER C C 53 173.858 173.858 173.738 0.120 19732 6792 1 13 . 1 1 53 53 SER CA C 53 58.508 58.508 58.032 0.476 19732 6793 1 13 . 1 1 53 53 SER CB C 53 63.636 63.636 62.129 1.507 19732 6794 1 13 . 1 1 53 53 SER H H 53 7.934 7.934 8.440 -0.506 19732 6795 1 13 . 1 1 54 54 ASN N N 54 121.155 121.155 122.482 -1.327 19732 6796 1 13 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.753 0.125 19732 6797 1 13 . 1 1 54 54 ASN C C 54 174.167 174.167 175.070 -0.903 19732 6798 1 13 . 1 1 54 54 ASN CA C 54 51.471 51.471 53.140 -1.669 19732 6799 1 13 . 1 1 54 54 ASN CB C 54 39.004 39.004 39.063 -0.059 19732 6800 1 13 . 1 1 54 54 ASN H H 54 7.666 7.666 7.816 -0.149 19732 6801 1 13 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.299 -0.270 19732 6802 1 13 . 1 1 55 55 PRO C C 55 177.787 177.787 178.132 -0.345 19732 6803 1 13 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.676 -0.090 19732 6804 1 13 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.103 0.260 19732 6805 1 13 . 1 1 56 56 GLU N N 56 117.292 117.292 117.652 -0.360 19732 6806 1 13 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.138 -0.067 19732 6807 1 13 . 1 1 56 56 GLU C C 56 179.258 179.258 178.720 0.538 19732 6808 1 13 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.682 -0.210 19732 6809 1 13 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.312 0.812 19732 6810 1 13 . 1 1 56 56 GLU H H 56 8.153 8.153 8.744 -0.591 19732 6811 1 13 . 1 1 57 57 VAL N N 57 120.730 120.730 119.854 0.876 19732 6812 1 13 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.908 -0.340 19732 6813 1 13 . 1 1 57 57 VAL C C 57 178.039 178.039 177.993 0.046 19732 6814 1 13 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.313 -0.348 19732 6815 1 13 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.748 0.237 19732 6816 1 13 . 1 1 57 57 VAL H H 57 7.556 7.556 7.289 0.267 19732 6817 1 13 . 1 1 58 58 ILE N N 58 119.892 119.892 119.930 -0.038 19732 6818 1 13 . 1 1 58 58 ILE HA H 58 3.710 3.710 4.030 -0.320 19732 6819 1 13 . 1 1 58 58 ILE C C 58 178.096 178.096 178.377 -0.281 19732 6820 1 13 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.927 1.285 19732 6821 1 13 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.322 0.997 19732 6822 1 13 . 1 1 58 58 ILE H H 58 7.784 7.784 8.375 -0.591 19732 6823 1 13 . 1 1 59 59 HIS N N 59 117.644 117.644 119.493 -1.849 19732 6824 1 13 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.558 -0.411 19732 6825 1 13 . 1 1 59 59 HIS C C 59 177.576 177.576 178.047 -0.471 19732 6826 1 13 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.724 -0.229 19732 6827 1 13 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.330 -0.051 19732 6828 1 13 . 1 1 59 59 HIS H H 59 8.350 8.350 8.253 0.097 19732 6829 1 13 . 1 1 60 60 ARG N N 60 118.248 118.248 118.310 -0.062 19732 6830 1 13 . 1 1 60 60 ARG HA H 60 4.046 4.046 4.284 -0.238 19732 6831 1 13 . 1 1 60 60 ARG C C 60 179.642 179.642 178.989 0.653 19732 6832 1 13 . 1 1 60 60 ARG CA C 60 59.946 59.946 58.315 1.631 19732 6833 1 13 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.623 0.684 19732 6834 1 13 . 1 1 60 60 ARG H H 60 7.776 7.776 8.068 -0.292 19732 6835 1 13 . 1 1 61 61 GLN N N 61 119.475 119.475 119.464 0.011 19732 6836 1 13 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.146 -0.080 19732 6837 1 13 . 1 1 61 61 GLN C C 61 178.650 178.650 178.616 0.034 19732 6838 1 13 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.926 0.099 19732 6839 1 13 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.870 -0.718 19732 6840 1 13 . 1 1 61 61 GLN H H 61 8.460 8.460 7.625 0.835 19732 6841 1 13 . 1 1 62 62 LEU N N 62 117.882 117.882 119.139 -1.257 19732 6842 1 13 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.192 -0.064 19732 6843 1 13 . 1 1 62 62 LEU C C 62 179.260 179.260 178.622 0.638 19732 6844 1 13 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.729 1.266 19732 6845 1 13 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.109 0.521 19732 6846 1 13 . 1 1 62 62 LEU H H 62 8.742 8.742 8.653 0.089 19732 6847 1 13 . 1 1 63 63 ASN N N 63 117.409 117.409 118.582 -1.173 19732 6848 1 13 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.417 -0.187 19732 6849 1 13 . 1 1 63 63 ASN C C 63 178.050 178.050 177.832 0.218 19732 6850 1 13 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.140 0.525 19732 6851 1 13 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.642 0.036 19732 6852 1 13 . 1 1 63 63 ASN H H 63 8.279 8.279 7.970 0.309 19732 6853 1 13 . 1 1 64 64 ARG N N 64 119.753 119.753 118.991 0.762 19732 6854 1 13 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.092 -0.050 19732 6855 1 13 . 1 1 64 64 ARG C C 64 178.914 178.914 178.710 0.204 19732 6856 1 13 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.587 0.273 19732 6857 1 13 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.730 0.039 19732 6858 1 13 . 1 1 64 64 ARG H H 64 7.784 7.784 7.884 -0.100 19732 6859 1 13 . 1 1 65 65 LEU N N 65 120.009 120.009 119.742 0.267 19732 6860 1 13 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.022 -0.083 19732 6861 1 13 . 1 1 65 65 LEU C C 65 178.481 178.481 178.926 -0.445 19732 6862 1 13 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.529 0.778 19732 6863 1 13 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.662 0.795 19732 6864 1 13 . 1 1 65 65 LEU H H 65 7.779 7.779 7.373 0.406 19732 6865 1 13 . 1 1 66 66 PHE N N 66 118.503 118.503 119.727 -1.224 19732 6866 1 13 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.475 -0.500 19732 6867 1 13 . 1 1 66 66 PHE C C 66 178.269 178.269 176.414 1.855 19732 6868 1 13 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.279 0.558 19732 6869 1 13 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.366 -0.615 19732 6870 1 13 . 1 1 66 66 PHE H H 66 8.287 8.287 7.916 0.371 19732 6871 1 13 . 1 1 67 67 ALA N N 67 119.206 119.206 120.218 -1.012 19732 6872 1 13 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.090 -0.191 19732 6873 1 13 . 1 1 67 67 ALA C C 67 178.876 178.876 179.639 -0.763 19732 6874 1 13 . 1 1 67 67 ALA CA C 67 53.658 53.658 54.169 -0.511 19732 6875 1 13 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.664 -0.623 19732 6876 1 13 . 1 1 67 67 ALA H H 67 7.902 7.902 7.731 0.171 19732 6877 1 13 . 1 1 68 68 GLN N N 68 115.534 115.534 117.292 -1.758 19732 6878 1 13 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.167 -0.052 19732 6879 1 13 . 1 1 68 68 GLN C C 68 177.274 177.274 176.749 0.525 19732 6880 1 13 . 1 1 68 68 GLN CA C 68 56.396 56.396 57.174 -0.778 19732 6881 1 13 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.749 -0.908 19732 6882 1 13 . 1 1 68 68 GLN H H 68 7.572 7.572 7.869 -0.297 19732 6883 1 13 . 1 1 69 69 GLY N N 69 106.861 106.861 104.438 2.423 19732 6884 1 13 . 1 1 69 69 GLY C C 69 173.690 173.690 174.067 -0.377 19732 6885 1 13 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.462 -0.576 19732 6886 1 13 . 1 1 69 69 GLY H H 69 7.486 7.486 7.968 -0.482 19732 6887 1 13 . 1 1 70 70 MET N N 70 119.355 119.355 121.501 -2.146 19732 6888 1 13 . 1 1 70 70 MET HA H 70 4.117 4.117 3.869 0.248 19732 6889 1 13 . 1 1 70 70 MET C C 70 177.743 177.743 176.868 0.875 19732 6890 1 13 . 1 1 70 70 MET CA C 70 57.396 57.396 58.606 -1.210 19732 6891 1 13 . 1 1 70 70 MET CB C 70 30.638 30.638 32.060 -1.422 19732 6892 1 13 . 1 1 70 70 MET H H 70 8.245 8.245 8.424 -0.179 19732 6893 1 13 . 1 1 71 71 ALA N N 71 120.691 120.691 124.426 -3.735 19732 6894 1 13 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.134 -0.071 19732 6895 1 13 . 1 1 71 71 ALA C C 71 181.027 181.027 179.694 1.333 19732 6896 1 13 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.036 0.606 19732 6897 1 13 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.602 -0.037 19732 6898 1 13 . 1 1 71 71 ALA H H 71 8.624 8.624 8.280 0.344 19732 6899 1 13 . 1 1 72 72 THR N N 72 116.354 116.354 115.900 0.454 19732 6900 1 13 . 1 1 72 72 THR HA H 72 3.825 3.825 3.941 -0.116 19732 6901 1 13 . 1 1 72 72 THR C C 72 174.861 174.861 176.379 -1.518 19732 6902 1 13 . 1 1 72 72 THR CA C 72 66.992 66.992 66.654 0.338 19732 6903 1 13 . 1 1 72 72 THR CB C 72 68.355 68.355 68.507 -0.152 19732 6904 1 13 . 1 1 72 72 THR H H 72 7.525 7.525 7.828 -0.303 19732 6905 1 13 . 1 1 73 73 TRP N N 73 122.292 122.292 122.455 -0.163 19732 6906 1 13 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.209 0.122 19732 6907 1 13 . 1 1 73 73 TRP C C 73 176.757 176.757 177.519 -0.762 19732 6908 1 13 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.016 -0.457 19732 6909 1 13 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.904 0.453 19732 6910 1 13 . 1 1 73 73 TRP H H 73 8.090 8.090 8.362 -0.272 19732 6911 1 13 . 1 1 74 74 LYS N N 74 115.768 115.768 118.290 -2.522 19732 6912 1 13 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.906 -0.167 19732 6913 1 13 . 1 1 74 74 LYS C C 74 178.957 178.957 179.448 -0.491 19732 6914 1 13 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.213 0.220 19732 6915 1 13 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.194 0.128 19732 6916 1 13 . 1 1 74 74 LYS H H 74 9.001 9.001 8.140 0.861 19732 6917 1 13 . 1 1 75 75 SER N N 75 115.378 115.378 115.965 -0.587 19732 6918 1 13 . 1 1 75 75 SER HA H 75 4.211 4.211 4.310 -0.099 19732 6919 1 13 . 1 1 75 75 SER C C 75 175.465 175.465 176.174 -0.709 19732 6920 1 13 . 1 1 75 75 SER CA C 75 61.999 61.999 61.574 0.425 19732 6921 1 13 . 1 1 75 75 SER CB C 75 63.160 63.160 62.864 0.296 19732 6922 1 13 . 1 1 75 75 SER H H 75 7.604 7.604 8.370 -0.766 19732 6923 1 13 . 1 1 76 76 PHE N N 76 121.707 121.707 124.169 -2.462 19732 6924 1 13 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.239 -0.223 19732 6925 1 13 . 1 1 76 76 PHE C C 76 175.983 175.983 177.010 -1.027 19732 6926 1 13 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.523 -0.041 19732 6927 1 13 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.920 -0.641 19732 6928 1 13 . 1 1 76 76 PHE H H 76 8.200 8.200 8.399 -0.199 19732 6929 1 13 . 1 1 77 77 ILE N N 77 117.448 117.448 118.514 -1.066 19732 6930 1 13 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.451 -0.120 19732 6931 1 13 . 1 1 77 77 ILE C C 77 177.919 177.919 177.895 0.024 19732 6932 1 13 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.764 -3.270 19732 6933 1 13 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.252 -1.530 19732 6934 1 13 . 1 1 77 77 ILE H H 77 8.193 8.193 8.534 -0.341 19732 6935 1 13 . 1 1 78 78 ASN N N 78 119.831 119.831 119.383 0.448 19732 6936 1 13 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.474 -0.256 19732 6937 1 13 . 1 1 78 78 ASN C C 78 177.228 177.228 177.748 -0.520 19732 6938 1 13 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.484 1.307 19732 6939 1 13 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.674 0.630 19732 6940 1 13 . 1 1 78 78 ASN H H 78 8.224 8.224 8.092 0.132 19732 6941 1 13 . 1 1 79 79 ASP N N 79 119.402 119.402 121.510 -2.108 19732 6942 1 13 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.584 -0.095 19732 6943 1 13 . 1 1 79 79 ASP C C 79 177.600 177.600 178.117 -0.517 19732 6944 1 13 . 1 1 79 79 ASP CA C 79 57.575 57.575 56.952 0.623 19732 6945 1 13 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.907 -0.990 19732 6946 1 13 . 1 1 79 79 ASP H H 79 8.028 8.028 8.307 -0.279 19732 6947 1 13 . 1 1 80 80 LEU N N 80 122.293 122.293 121.726 0.567 19732 6948 1 13 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.679 -0.191 19732 6949 1 13 . 1 1 80 80 LEU C C 80 178.561 178.561 178.347 0.214 19732 6950 1 13 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.383 0.949 19732 6951 1 13 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.267 1.113 19732 6952 1 13 . 1 1 80 80 LEU H H 80 8.491 8.491 8.317 0.174 19732 6953 1 13 . 1 1 81 81 CYS N N 81 114.479 114.479 115.555 -1.076 19732 6954 1 13 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.024 -0.093 19732 6955 1 13 . 1 1 81 81 CYS C C 81 176.754 176.754 176.946 -0.192 19732 6956 1 13 . 1 1 81 81 CYS CA C 81 63.543 63.543 62.282 1.260 19732 6957 1 13 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.117 -0.461 19732 6958 1 13 . 1 1 81 81 CYS H H 81 8.169 8.169 8.197 -0.028 19732 6959 1 13 . 1 1 82 82 PHE N N 82 115.964 115.964 122.284 -6.320 19732 6960 1 13 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.274 0.048 19732 6961 1 13 . 1 1 82 82 PHE C C 82 178.485 178.485 176.819 1.666 19732 6962 1 13 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.032 -0.157 19732 6963 1 13 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.406 0.425 19732 6964 1 13 . 1 1 82 82 PHE H H 82 7.863 7.863 7.529 0.334 19732 6965 1 13 . 1 1 83 83 GLU N N 83 116.314 116.314 118.217 -1.903 19732 6966 1 13 . 1 1 83 83 GLU HA H 83 4.045 4.045 3.958 0.087 19732 6967 1 13 . 1 1 83 83 GLU C C 83 177.877 177.877 178.161 -0.284 19732 6968 1 13 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.747 -0.002 19732 6969 1 13 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.336 -0.058 19732 6970 1 13 . 1 1 83 83 GLU H H 83 9.049 9.049 8.612 0.437 19732 6971 1 13 . 1 1 84 84 LEU N N 84 116.042 116.042 117.725 -1.683 19732 6972 1 13 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.136 0.101 19732 6973 1 13 . 1 1 84 84 LEU C C 84 175.868 175.868 176.877 -1.009 19732 6974 1 13 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.621 -0.964 19732 6975 1 13 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.216 -2.112 19732 6976 1 13 . 1 1 84 84 LEU H H 84 7.713 7.713 7.603 0.110 19732 6977 1 13 . 1 1 85 85 ASP N N 85 116.940 116.940 118.225 -1.285 19732 6978 1 13 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.307 -0.057 19732 6979 1 13 . 1 1 85 85 ASP C C 85 174.424 174.424 175.089 -0.665 19732 6980 1 13 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.103 -0.418 19732 6981 1 13 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.694 -0.873 19732 6982 1 13 . 1 1 85 85 ASP H H 85 7.164 7.164 7.774 -0.610 19732 6983 1 13 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.613 -0.207 19732 6984 1 13 . 1 1 87 87 PRO C C 87 177.572 177.572 176.314 1.258 19732 6985 1 13 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.823 0.336 19732 6986 1 13 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.818 0.442 19732 6987 1 13 . 1 1 88 88 LEU N N 88 122.410 122.410 124.461 -2.051 19732 6988 1 13 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.128 -0.197 19732 6989 1 13 . 1 1 88 88 LEU C C 88 179.214 179.214 178.309 0.905 19732 6990 1 13 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.368 1.913 19732 6991 1 13 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.405 -1.325 19732 6992 1 13 . 1 1 88 88 LEU H H 88 8.271 8.271 8.649 -0.378 19732 6993 1 13 . 1 1 91 91 GLU N N 91 121.224 121.224 123.742 -2.518 19732 6994 1 13 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.098 -0.561 19732 6995 1 13 . 1 1 91 91 GLU C C 91 176.926 176.926 177.764 -0.838 19732 6996 1 13 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.534 1.545 19732 6997 1 13 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.776 -0.291 19732 6998 1 13 . 1 1 91 91 GLU H H 91 7.775 7.775 8.381 -0.606 19732 6999 1 13 . 1 1 92 92 ILE N N 92 115.836 115.836 119.177 -3.341 19732 7000 1 13 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.036 -0.126 19732 7001 1 13 . 1 1 92 92 ILE C C 92 177.704 177.704 176.046 1.658 19732 7002 1 13 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.391 1.639 19732 7003 1 13 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.834 -0.383 19732 7004 1 13 . 1 1 92 92 ILE H H 92 8.259 8.259 8.435 -0.176 19732 7005 1 13 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.150 -0.033 19732 7006 1 13 . 1 1 93 93 PRO C C 93 178.653 178.653 178.182 0.471 19732 7007 1 13 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.228 -0.225 19732 7008 1 13 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.121 0.015 19732 7009 1 13 . 1 1 94 94 LEU N N 94 114.952 114.952 115.780 -0.828 19732 7010 1 13 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.329 -0.203 19732 7011 1 13 . 1 1 94 94 LEU C C 94 180.119 180.119 179.617 0.502 19732 7012 1 13 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.698 0.087 19732 7013 1 13 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.365 1.395 19732 7014 1 13 . 1 1 94 94 LEU H H 94 7.657 7.657 7.620 0.037 19732 7015 1 13 . 1 1 95 95 VAL N N 95 119.986 119.986 118.964 1.022 19732 7016 1 13 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.245 -0.237 19732 7017 1 13 . 1 1 95 95 VAL C C 95 177.559 177.559 177.816 -0.257 19732 7018 1 13 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.298 0.368 19732 7019 1 13 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.710 0.004 19732 7020 1 13 . 1 1 95 95 VAL H H 95 8.873 8.873 8.023 0.850 19732 7021 1 13 . 1 1 96 96 SER N N 96 111.863 111.863 114.364 -2.501 19732 7022 1 13 . 1 1 96 96 SER HA H 96 4.598 4.598 4.331 0.267 19732 7023 1 13 . 1 1 96 96 SER C C 96 175.113 175.113 174.717 0.396 19732 7024 1 13 . 1 1 96 96 SER CA C 96 59.163 59.163 59.713 -0.550 19732 7025 1 13 . 1 1 96 96 SER CB C 96 63.552 63.552 63.150 0.402 19732 7026 1 13 . 1 1 96 96 SER H H 96 7.823 7.823 8.398 -0.575 19732 7027 1 13 . 1 1 97 97 ILE N N 97 120.300 120.300 120.141 0.159 19732 7028 1 13 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.871 -0.052 19732 7029 1 13 . 1 1 97 97 ILE C C 97 174.601 174.601 175.865 -1.264 19732 7030 1 13 . 1 1 97 97 ILE CA C 97 63.804 63.804 61.751 2.054 19732 7031 1 13 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.611 0.447 19732 7032 1 13 . 1 1 97 97 ILE H H 97 7.014 7.014 7.334 -0.320 19732 7033 1 13 . 1 1 98 98 TRP N N 98 120.222 120.222 118.440 1.782 19732 7034 1 13 . 1 1 98 98 TRP HA H 98 4.062 4.062 3.849 0.213 19732 7035 1 13 . 1 1 98 98 TRP C C 98 176.502 176.502 175.073 1.429 19732 7036 1 13 . 1 1 98 98 TRP CA C 98 57.790 57.790 56.822 0.968 19732 7037 1 13 . 1 1 98 98 TRP CB C 98 28.963 28.963 26.399 2.564 19732 7038 1 13 . 1 1 98 98 TRP H H 98 7.651 7.651 7.480 0.171 19732 7039 1 13 . 1 1 99 99 GLY N N 99 109.003 109.003 109.672 -0.669 19732 7040 1 13 . 1 1 99 99 GLY C C 99 170.846 170.846 172.152 -1.306 19732 7041 1 13 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.213 1.424 19732 7042 1 13 . 1 1 99 99 GLY H H 99 7.240 7.240 6.657 0.583 19732 7043 1 13 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.384 -0.085 19732 7044 1 13 . 1 1 100 100 PRO C C 100 176.200 176.200 175.590 0.610 19732 7045 1 13 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.665 0.339 19732 7046 1 13 . 1 1 100 100 PRO CB C 100 31.808 31.808 33.207 -1.399 19732 7047 1 14 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.682 -0.272 19732 7048 1 14 . 1 1 2 2 PRO C C 2 176.929 176.929 176.245 0.684 19732 7049 1 14 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.004 0.137 19732 7050 1 14 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.925 0.309 19732 7051 1 14 . 1 1 3 3 LEU N N 3 121.746 121.746 123.747 -2.001 19732 7052 1 14 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.599 -0.322 19732 7053 1 14 . 1 1 3 3 LEU C C 3 177.789 177.789 177.214 0.575 19732 7054 1 14 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.511 0.856 19732 7055 1 14 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.768 -0.611 19732 7056 1 14 . 1 1 3 3 LEU H H 3 8.420 8.420 8.544 -0.124 19732 7057 1 14 . 1 1 4 4 GLY N N 4 109.400 109.400 109.844 -0.444 19732 7058 1 14 . 1 1 4 4 GLY C C 4 174.208 174.208 174.378 -0.170 19732 7059 1 14 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.214 1.041 19732 7060 1 14 . 1 1 4 4 GLY H H 4 8.326 8.326 7.947 0.379 19732 7061 1 14 . 1 1 5 5 SER N N 5 115.339 115.339 115.662 -0.323 19732 7062 1 14 . 1 1 5 5 SER HA H 5 4.363 4.363 4.251 0.112 19732 7063 1 14 . 1 1 5 5 SER C C 5 174.549 174.549 174.232 0.317 19732 7064 1 14 . 1 1 5 5 SER CA C 5 58.443 58.443 58.515 -0.072 19732 7065 1 14 . 1 1 5 5 SER CB C 5 63.773 63.773 63.488 0.285 19732 7066 1 14 . 1 1 5 5 SER H H 5 8.098 8.098 8.266 -0.168 19732 7067 1 14 . 1 1 6 6 MET N N 6 121.404 121.404 125.190 -3.786 19732 7068 1 14 . 1 1 6 6 MET HA H 6 4.427 4.427 4.299 0.128 19732 7069 1 14 . 1 1 6 6 MET C C 6 175.724 175.724 174.610 1.114 19732 7070 1 14 . 1 1 6 6 MET CA C 6 55.612 55.612 56.156 -0.544 19732 7071 1 14 . 1 1 6 6 MET CB C 6 32.874 32.874 31.721 1.153 19732 7072 1 14 . 1 1 6 6 MET H H 6 8.326 8.326 8.618 -0.292 19732 7073 1 14 . 1 1 7 7 ASP N N 7 120.769 120.769 121.062 -0.293 19732 7074 1 14 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.826 -0.309 19732 7075 1 14 . 1 1 7 7 ASP C C 7 176.111 176.111 175.640 0.471 19732 7076 1 14 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.678 -0.542 19732 7077 1 14 . 1 1 7 7 ASP CB C 7 41.285 41.285 41.867 -0.582 19732 7078 1 14 . 1 1 7 7 ASP H H 7 8.114 8.114 8.262 -0.148 19732 7079 1 14 . 1 1 8 8 ALA N N 8 123.543 123.543 122.721 0.822 19732 7080 1 14 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.100 -0.041 19732 7081 1 14 . 1 1 8 8 ALA C C 8 178.788 178.788 178.713 0.075 19732 7082 1 14 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.690 -0.759 19732 7083 1 14 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.399 0.528 19732 7084 1 14 . 1 1 8 8 ALA H H 8 8.248 8.248 8.481 -0.233 19732 7085 1 14 . 1 1 9 9 GLU N N 9 118.034 118.034 117.591 0.443 19732 7086 1 14 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.077 0.049 19732 7087 1 14 . 1 1 9 9 GLU C C 9 177.485 177.485 178.937 -1.452 19732 7088 1 14 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.320 -1.480 19732 7089 1 14 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.546 1.056 19732 7090 1 14 . 1 1 9 9 GLU H H 9 8.255 8.255 8.929 -0.674 19732 7091 1 14 . 1 1 10 10 SER N N 10 115.260 115.260 115.666 -0.406 19732 7092 1 14 . 1 1 10 10 SER HA H 10 4.232 4.232 4.310 -0.078 19732 7093 1 14 . 1 1 10 10 SER C C 10 175.552 175.552 175.644 -0.092 19732 7094 1 14 . 1 1 10 10 SER CA C 10 60.015 60.015 60.374 -0.359 19732 7095 1 14 . 1 1 10 10 SER CB C 10 63.225 63.225 63.023 0.202 19732 7096 1 14 . 1 1 10 10 SER H H 10 7.992 7.992 7.506 0.486 19732 7097 1 14 . 1 1 11 11 ILE N N 11 121.199 121.199 120.127 1.072 19732 7098 1 14 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.042 -0.152 19732 7099 1 14 . 1 1 11 11 ILE C C 11 176.411 176.411 176.813 -0.402 19732 7100 1 14 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.425 0.326 19732 7101 1 14 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.043 0.230 19732 7102 1 14 . 1 1 11 11 ILE H H 11 7.729 7.729 7.550 0.179 19732 7103 1 14 . 1 1 12 12 ARG N N 12 121.248 121.248 119.241 2.007 19732 7104 1 14 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.375 -0.262 19732 7105 1 14 . 1 1 12 12 ARG C C 12 176.970 176.970 176.520 0.450 19732 7106 1 14 . 1 1 12 12 ARG CA C 12 57.077 57.077 55.919 1.158 19732 7107 1 14 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.678 -0.182 19732 7108 1 14 . 1 1 12 12 ARG H H 12 7.853 7.853 7.342 0.511 19732 7109 1 14 . 1 1 13 13 LEU N N 13 120.701 120.701 118.382 2.319 19732 7110 1 14 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.182 0.036 19732 7111 1 14 . 1 1 13 13 LEU C C 13 177.620 177.620 176.186 1.434 19732 7112 1 14 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.184 0.113 19732 7113 1 14 . 1 1 13 13 LEU CB C 13 42.174 42.174 41.670 0.504 19732 7114 1 14 . 1 1 13 13 LEU H H 13 8.020 8.020 8.119 -0.099 19732 7115 1 14 . 1 1 16 16 GLU N N 16 120.417 120.417 122.972 -2.555 19732 7116 1 14 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.295 -0.170 19732 7117 1 14 . 1 1 16 16 GLU C C 16 178.929 178.929 177.679 1.250 19732 7118 1 14 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.581 -0.976 19732 7119 1 14 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.949 -0.558 19732 7120 1 14 . 1 1 16 16 GLU H H 16 8.465 8.465 8.827 -0.362 19732 7121 1 14 . 1 1 17 17 ASN N N 17 118.855 118.855 118.051 0.804 19732 7122 1 14 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.587 0.032 19732 7123 1 14 . 1 1 17 17 ASN C C 17 177.835 177.835 177.428 0.407 19732 7124 1 14 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.297 -0.759 19732 7125 1 14 . 1 1 17 17 ASN CB C 17 38.211 38.211 37.576 0.635 19732 7126 1 14 . 1 1 17 17 ASN H H 17 8.428 8.428 8.836 -0.408 19732 7127 1 14 . 1 1 18 18 LEU N N 18 123.972 123.972 120.987 2.985 19732 7128 1 14 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.295 -0.075 19732 7129 1 14 . 1 1 18 18 LEU C C 18 178.248 178.248 178.357 -0.109 19732 7130 1 14 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.802 0.083 19732 7131 1 14 . 1 1 18 18 LEU CB C 18 41.697 41.697 40.846 0.851 19732 7132 1 14 . 1 1 18 18 LEU H H 18 8.208 8.208 8.033 0.175 19732 7133 1 14 . 1 1 19 19 TRP N N 19 119.362 119.362 121.691 -2.329 19732 7134 1 14 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.274 -0.108 19732 7135 1 14 . 1 1 19 19 TRP C C 19 177.617 177.617 177.797 -0.180 19732 7136 1 14 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.376 0.520 19732 7137 1 14 . 1 1 19 19 TRP CB C 19 29.427 29.427 30.045 -0.618 19732 7138 1 14 . 1 1 19 19 TRP H H 19 8.316 8.316 7.872 0.444 19732 7139 1 14 . 1 1 20 20 ALA N N 20 118.581 118.581 120.961 -2.380 19732 7140 1 14 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.899 0.151 19732 7141 1 14 . 1 1 20 20 ALA C C 20 180.422 180.422 179.347 1.075 19732 7142 1 14 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.053 0.111 19732 7143 1 14 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.861 0.179 19732 7144 1 14 . 1 1 20 20 ALA H H 20 7.957 7.957 8.464 -0.507 19732 7145 1 14 . 1 1 21 21 TRP N N 21 119.753 119.753 121.417 -1.664 19732 7146 1 14 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.316 -0.423 19732 7147 1 14 . 1 1 21 21 TRP C C 21 177.494 177.494 177.696 -0.202 19732 7148 1 14 . 1 1 21 21 TRP CA C 21 62.098 62.098 61.387 0.711 19732 7149 1 14 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.763 -1.120 19732 7150 1 14 . 1 1 21 21 TRP H H 21 8.043 8.043 8.022 0.021 19732 7151 1 14 . 1 1 22 22 LEU N N 22 122.136 122.136 120.640 1.496 19732 7152 1 14 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.650 -0.211 19732 7153 1 14 . 1 1 22 22 LEU C C 22 178.075 178.075 178.691 -0.616 19732 7154 1 14 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.183 -0.428 19732 7155 1 14 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.356 0.614 19732 7156 1 14 . 1 1 22 22 LEU H H 22 8.553 8.553 8.518 0.035 19732 7157 1 14 . 1 1 23 23 VAL N N 23 118.034 118.034 118.179 -0.145 19732 7158 1 14 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.224 0.089 19732 7159 1 14 . 1 1 23 23 VAL C C 23 178.401 178.401 177.679 0.722 19732 7160 1 14 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.810 0.314 19732 7161 1 14 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.127 0.173 19732 7162 1 14 . 1 1 23 23 VAL H H 23 8.341 8.341 8.277 0.064 19732 7163 1 14 . 1 1 24 24 ARG N N 24 120.377 120.377 119.155 1.222 19732 7164 1 14 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.977 -0.163 19732 7165 1 14 . 1 1 24 24 ARG C C 24 179.205 179.205 178.881 0.324 19732 7166 1 14 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.951 1.153 19732 7167 1 14 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.143 -0.107 19732 7168 1 14 . 1 1 24 24 ARG H H 24 7.856 7.856 7.479 0.377 19732 7169 1 14 . 1 1 25 25 LEU N N 25 121.668 121.668 122.035 -0.367 19732 7170 1 14 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.904 -0.241 19732 7171 1 14 . 1 1 25 25 LEU C C 25 179.943 179.943 178.503 1.440 19732 7172 1 14 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.136 0.912 19732 7173 1 14 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.781 0.247 19732 7174 1 14 . 1 1 25 25 LEU H H 25 7.838 7.838 8.249 -0.411 19732 7175 1 14 . 1 1 26 26 LEU N N 26 118.308 118.308 118.309 -0.001 19732 7176 1 14 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.023 -0.112 19732 7177 1 14 . 1 1 26 26 LEU C C 26 179.471 179.471 179.274 0.197 19732 7178 1 14 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.328 0.145 19732 7179 1 14 . 1 1 26 26 LEU CB C 26 41.029 41.029 41.165 -0.136 19732 7180 1 14 . 1 1 26 26 LEU H H 26 8.247 8.247 8.490 -0.243 19732 7181 1 14 . 1 1 27 27 SER N N 27 115.768 115.768 115.413 0.355 19732 7182 1 14 . 1 1 27 27 SER HA H 27 4.020 4.020 4.190 -0.170 19732 7183 1 14 . 1 1 27 27 SER C C 27 174.990 174.990 175.404 -0.414 19732 7184 1 14 . 1 1 27 27 SER CA C 27 61.755 61.755 61.298 0.457 19732 7185 1 14 . 1 1 27 27 SER CB C 27 62.755 62.755 62.801 -0.046 19732 7186 1 14 . 1 1 27 27 SER H H 27 8.436 8.436 8.331 0.105 19732 7187 1 14 . 1 1 28 28 LYS N N 28 117.644 117.644 117.846 -0.202 19732 7188 1 14 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.342 -0.028 19732 7189 1 14 . 1 1 28 28 LYS C C 28 175.979 175.979 176.769 -0.790 19732 7190 1 14 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.576 -0.389 19732 7191 1 14 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.855 -0.064 19732 7192 1 14 . 1 1 28 28 LYS H H 28 7.014 7.014 7.301 -0.287 19732 7193 1 14 . 1 1 29 29 ASN N N 29 118.347 118.347 117.042 1.305 19732 7194 1 14 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.310 -0.028 19732 7195 1 14 . 1 1 29 29 ASN C C 29 171.835 171.835 173.817 -1.982 19732 7196 1 14 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.030 1.295 19732 7197 1 14 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.036 2.590 19732 7198 1 14 . 1 1 29 29 ASN H H 29 7.611 7.611 7.856 -0.245 19732 7199 1 14 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.402 0.049 19732 7200 1 14 . 1 1 30 30 PRO C C 30 179.560 179.560 178.570 0.990 19732 7201 1 14 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.062 0.807 19732 7202 1 14 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.110 -0.708 19732 7203 1 14 . 1 1 31 31 GLU N N 31 119.636 119.636 118.869 0.767 19732 7204 1 14 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.135 -0.009 19732 7205 1 14 . 1 1 31 31 GLU C C 31 179.253 179.253 178.676 0.577 19732 7206 1 14 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.497 0.175 19732 7207 1 14 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.079 -0.715 19732 7208 1 14 . 1 1 31 31 GLU H H 31 8.593 8.593 8.677 -0.084 19732 7209 1 14 . 1 1 32 32 TRP N N 32 122.293 122.293 122.094 0.199 19732 7210 1 14 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.428 -0.395 19732 7211 1 14 . 1 1 32 32 TRP C C 32 178.055 178.055 177.965 0.090 19732 7212 1 14 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.679 1.177 19732 7213 1 14 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.897 -0.781 19732 7214 1 14 . 1 1 32 32 TRP H H 32 7.933 7.933 7.636 0.297 19732 7215 1 14 . 1 1 33 33 LEU N N 33 117.409 117.409 121.194 -3.785 19732 7216 1 14 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.702 0.188 19732 7217 1 14 . 1 1 33 33 LEU C C 33 177.934 177.934 178.790 -0.856 19732 7218 1 14 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.090 0.088 19732 7219 1 14 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.422 0.136 19732 7220 1 14 . 1 1 33 33 LEU H H 33 8.012 8.012 8.207 -0.195 19732 7221 1 14 . 1 1 34 34 SER N N 34 113.257 113.257 114.664 -1.407 19732 7222 1 14 . 1 1 34 34 SER HA H 34 3.975 3.975 4.055 -0.080 19732 7223 1 14 . 1 1 34 34 SER C C 34 176.363 176.363 176.589 -0.226 19732 7224 1 14 . 1 1 34 34 SER CA C 34 62.194 62.194 61.824 0.370 19732 7225 1 14 . 1 1 34 34 SER CB C 34 62.739 62.739 62.596 0.143 19732 7226 1 14 . 1 1 34 34 SER H H 34 8.335 8.335 8.488 -0.153 19732 7227 1 14 . 1 1 35 35 ALA N N 35 121.511 121.511 124.752 -3.241 19732 7228 1 14 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.971 -0.014 19732 7229 1 14 . 1 1 35 35 ALA C C 35 180.728 180.728 179.668 1.060 19732 7230 1 14 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.975 -0.086 19732 7231 1 14 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.165 -0.390 19732 7232 1 14 . 1 1 35 35 ALA H H 35 7.391 7.391 7.460 -0.069 19732 7233 1 14 . 1 1 36 36 LYS N N 36 118.386 118.386 117.755 0.631 19732 7234 1 14 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.036 -0.202 19732 7235 1 14 . 1 1 36 36 LYS C C 36 179.578 179.578 179.115 0.463 19732 7236 1 14 . 1 1 36 36 LYS CA C 36 56.597 56.597 58.060 -1.463 19732 7237 1 14 . 1 1 36 36 LYS CB C 36 30.483 30.483 32.006 -1.523 19732 7238 1 14 . 1 1 36 36 LYS H H 36 7.823 7.823 7.350 0.473 19732 7239 1 14 . 1 1 37 37 LEU N N 37 119.480 119.480 119.487 -0.007 19732 7240 1 14 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.093 -0.203 19732 7241 1 14 . 1 1 37 37 LEU C C 37 178.529 178.529 178.894 -0.365 19732 7242 1 14 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.260 0.387 19732 7243 1 14 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.228 -0.080 19732 7244 1 14 . 1 1 37 37 LEU H H 37 8.725 8.725 8.440 0.285 19732 7245 1 14 . 1 1 38 38 ARG N N 38 115.612 115.612 117.574 -1.962 19732 7246 1 14 . 1 1 38 38 ARG HA H 38 3.997 3.997 3.995 0.002 19732 7247 1 14 . 1 1 38 38 ARG C C 38 177.661 177.661 178.102 -0.441 19732 7248 1 14 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.378 -0.866 19732 7249 1 14 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.885 0.050 19732 7250 1 14 . 1 1 38 38 ARG H H 38 7.446 7.446 7.805 -0.359 19732 7251 1 14 . 1 1 39 39 SER N N 39 111.883 111.883 113.118 -1.235 19732 7252 1 14 . 1 1 39 39 SER HA H 39 4.160 4.160 4.227 -0.067 19732 7253 1 14 . 1 1 39 39 SER C C 39 175.401 175.401 175.835 -0.434 19732 7254 1 14 . 1 1 39 39 SER CA C 39 60.359 60.359 60.075 0.284 19732 7255 1 14 . 1 1 39 39 SER CB C 39 63.228 63.228 63.159 0.069 19732 7256 1 14 . 1 1 39 39 SER H H 39 7.353 7.353 7.456 -0.103 19732 7257 1 14 . 1 1 40 40 PHE N N 40 117.136 117.136 119.527 -2.391 19732 7258 1 14 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.388 0.226 19732 7259 1 14 . 1 1 40 40 PHE C C 40 175.852 175.852 176.114 -0.262 19732 7260 1 14 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.904 -1.194 19732 7261 1 14 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.610 2.084 19732 7262 1 14 . 1 1 40 40 PHE H H 40 7.792 7.792 7.570 0.222 19732 7263 1 14 . 1 1 41 41 LEU N N 41 119.050 119.050 118.215 0.835 19732 7264 1 14 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.790 0.087 19732 7265 1 14 . 1 1 41 41 LEU C C 41 174.510 174.510 175.775 -1.265 19732 7266 1 14 . 1 1 41 41 LEU CA C 41 52.092 52.092 51.327 0.765 19732 7267 1 14 . 1 1 41 41 LEU CB C 41 42.037 42.037 40.990 1.047 19732 7268 1 14 . 1 1 41 41 LEU H H 41 8.114 8.114 8.167 -0.053 19732 7269 1 14 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.537 -0.235 19732 7270 1 14 . 1 1 42 42 PRO C C 42 177.620 177.620 177.077 0.543 19732 7271 1 14 . 1 1 42 42 PRO CA C 42 63.771 63.771 63.993 -0.222 19732 7272 1 14 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.053 -0.372 19732 7273 1 14 . 1 1 43 43 THR N N 43 109.752 109.752 107.610 2.142 19732 7274 1 14 . 1 1 43 43 THR HA H 43 4.256 4.256 4.432 -0.176 19732 7275 1 14 . 1 1 43 43 THR C C 43 174.467 174.467 174.548 -0.081 19732 7276 1 14 . 1 1 43 43 THR CA C 43 61.657 61.657 60.065 1.592 19732 7277 1 14 . 1 1 43 43 THR CB C 43 69.450 69.450 69.015 0.435 19732 7278 1 14 . 1 1 43 43 THR H H 43 7.671 7.671 7.590 0.081 19732 7279 1 14 . 1 1 44 44 MET N N 44 121.568 121.568 124.742 -3.174 19732 7280 1 14 . 1 1 44 44 MET HA H 44 4.363 4.363 4.392 -0.029 19732 7281 1 14 . 1 1 44 44 MET C C 44 175.373 175.373 175.504 -0.131 19732 7282 1 14 . 1 1 44 44 MET CA C 44 55.710 55.710 55.377 0.333 19732 7283 1 14 . 1 1 44 44 MET CB C 44 32.989 32.989 32.505 0.484 19732 7284 1 14 . 1 1 44 44 MET H H 44 8.037 8.037 7.506 0.531 19732 7285 1 14 . 1 1 45 45 ASP N N 45 121.980 121.980 128.152 -6.172 19732 7286 1 14 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.798 -0.277 19732 7287 1 14 . 1 1 45 45 ASP C C 45 176.022 176.022 175.652 0.370 19732 7288 1 14 . 1 1 45 45 ASP CA C 45 54.371 54.371 52.859 1.512 19732 7289 1 14 . 1 1 45 45 ASP CB C 45 41.147 41.147 39.926 1.220 19732 7290 1 14 . 1 1 45 45 ASP H H 45 8.230 8.230 8.615 -0.385 19732 7291 1 14 . 1 1 46 46 LEU N N 46 122.192 122.192 118.412 3.780 19732 7292 1 14 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.429 -0.285 19732 7293 1 14 . 1 1 46 46 LEU C C 46 177.018 177.018 177.054 -0.036 19732 7294 1 14 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.461 0.452 19732 7295 1 14 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.361 0.815 19732 7296 1 14 . 1 1 46 46 LEU H H 46 8.028 8.028 8.078 -0.050 19732 7297 1 14 . 1 1 47 47 ASP N N 47 120.573 120.573 118.525 2.048 19732 7298 1 14 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.470 0.055 19732 7299 1 14 . 1 1 47 47 ASP C C 47 176.370 176.370 176.636 -0.266 19732 7300 1 14 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.929 -0.722 19732 7301 1 14 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.934 0.220 19732 7302 1 14 . 1 1 47 47 ASP H H 47 8.238 8.238 8.451 -0.213 19732 7303 1 14 . 1 1 48 48 CYS N N 48 118.464 118.464 120.157 -1.693 19732 7304 1 14 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.742 -0.313 19732 7305 1 14 . 1 1 48 48 CYS C C 48 174.340 174.340 174.503 -0.163 19732 7306 1 14 . 1 1 48 48 CYS CA C 48 58.513 58.513 57.173 1.340 19732 7307 1 14 . 1 1 48 48 CYS CB C 48 27.953 27.953 26.378 1.575 19732 7308 1 14 . 1 1 48 48 CYS H H 48 8.068 8.068 7.381 0.687 19732 7309 1 14 . 1 1 49 49 SER N N 49 116.784 116.784 122.037 -5.253 19732 7310 1 14 . 1 1 49 49 SER HA H 49 4.302 4.302 4.438 -0.136 19732 7311 1 14 . 1 1 49 49 SER C C 49 173.897 173.897 174.421 -0.524 19732 7312 1 14 . 1 1 49 49 SER CA C 49 58.718 58.718 57.332 1.386 19732 7313 1 14 . 1 1 49 49 SER CB C 49 63.636 63.636 61.790 1.846 19732 7314 1 14 . 1 1 49 49 SER H H 49 8.185 8.185 8.196 -0.011 19732 7315 1 14 . 1 1 50 50 TYR N N 50 120.886 120.886 121.526 -0.640 19732 7316 1 14 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.566 -0.054 19732 7317 1 14 . 1 1 50 50 TYR C C 50 174.818 174.818 175.799 -0.981 19732 7318 1 14 . 1 1 50 50 TYR CA C 50 57.486 57.486 57.922 -0.436 19732 7319 1 14 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.502 0.294 19732 7320 1 14 . 1 1 50 50 TYR H H 50 7.776 7.776 7.389 0.387 19732 7321 1 14 . 1 1 51 51 GLU N N 51 122.800 122.800 118.733 4.067 19732 7322 1 14 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.783 -0.228 19732 7323 1 14 . 1 1 51 51 GLU C C 51 174.508 174.508 173.896 0.612 19732 7324 1 14 . 1 1 51 51 GLU CA C 51 53.928 53.928 52.964 0.965 19732 7325 1 14 . 1 1 51 51 GLU CB C 51 30.225 30.225 32.121 -1.896 19732 7326 1 14 . 1 1 51 51 GLU H H 51 8.026 8.026 7.659 0.367 19732 7327 1 14 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.460 -0.158 19732 7328 1 14 . 1 1 52 52 PRO C C 52 176.065 176.065 177.575 -1.510 19732 7329 1 14 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.868 0.816 19732 7330 1 14 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.127 -0.564 19732 7331 1 14 . 1 1 53 53 SER N N 53 110.611 110.611 115.786 -5.175 19732 7332 1 14 . 1 1 53 53 SER HA H 53 4.302 4.302 4.395 -0.093 19732 7333 1 14 . 1 1 53 53 SER C C 53 173.858 173.858 173.741 0.117 19732 7334 1 14 . 1 1 53 53 SER CA C 53 58.508 58.508 58.220 0.288 19732 7335 1 14 . 1 1 53 53 SER CB C 53 63.636 63.636 61.155 2.481 19732 7336 1 14 . 1 1 53 53 SER H H 53 7.934 7.934 8.607 -0.673 19732 7337 1 14 . 1 1 54 54 ASN N N 54 121.155 121.155 122.369 -1.214 19732 7338 1 14 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.800 0.078 19732 7339 1 14 . 1 1 54 54 ASN C C 54 174.167 174.167 175.251 -1.084 19732 7340 1 14 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.708 -1.237 19732 7341 1 14 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.478 0.526 19732 7342 1 14 . 1 1 54 54 ASN H H 54 7.666 7.666 7.695 -0.029 19732 7343 1 14 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.183 -0.154 19732 7344 1 14 . 1 1 55 55 PRO C C 55 177.787 177.787 178.695 -0.908 19732 7345 1 14 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.166 -0.580 19732 7346 1 14 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.032 0.331 19732 7347 1 14 . 1 1 56 56 GLU N N 56 117.292 117.292 116.930 0.362 19732 7348 1 14 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.313 -0.243 19732 7349 1 14 . 1 1 56 56 GLU C C 56 179.258 179.258 178.813 0.445 19732 7350 1 14 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.457 0.015 19732 7351 1 14 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.992 0.132 19732 7352 1 14 . 1 1 56 56 GLU H H 56 8.153 8.153 8.734 -0.581 19732 7353 1 14 . 1 1 57 57 VAL N N 57 120.730 120.730 120.756 -0.026 19732 7354 1 14 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.953 -0.385 19732 7355 1 14 . 1 1 57 57 VAL C C 57 178.039 178.039 178.444 -0.405 19732 7356 1 14 . 1 1 57 57 VAL CA C 57 65.965 65.965 65.977 -0.012 19732 7357 1 14 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.433 0.552 19732 7358 1 14 . 1 1 57 57 VAL H H 57 7.556 7.556 7.387 0.169 19732 7359 1 14 . 1 1 58 58 ILE N N 58 119.892 119.892 119.732 0.160 19732 7360 1 14 . 1 1 58 58 ILE HA H 58 3.710 3.710 4.101 -0.391 19732 7361 1 14 . 1 1 58 58 ILE C C 58 178.096 178.096 178.729 -0.633 19732 7362 1 14 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.065 1.147 19732 7363 1 14 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.349 0.969 19732 7364 1 14 . 1 1 58 58 ILE H H 58 7.784 7.784 8.591 -0.807 19732 7365 1 14 . 1 1 59 59 HIS N N 59 117.644 117.644 120.369 -2.725 19732 7366 1 14 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.710 -0.563 19732 7367 1 14 . 1 1 59 59 HIS C C 59 177.576 177.576 178.050 -0.474 19732 7368 1 14 . 1 1 59 59 HIS CA C 59 60.495 60.495 61.018 -0.523 19732 7369 1 14 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.474 -0.195 19732 7370 1 14 . 1 1 59 59 HIS H H 59 8.350 8.350 8.597 -0.247 19732 7371 1 14 . 1 1 60 60 ARG N N 60 118.248 118.248 118.087 0.161 19732 7372 1 14 . 1 1 60 60 ARG HA H 60 4.046 4.046 4.124 -0.078 19732 7373 1 14 . 1 1 60 60 ARG C C 60 179.642 179.642 178.861 0.781 19732 7374 1 14 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.011 0.935 19732 7375 1 14 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.166 1.141 19732 7376 1 14 . 1 1 60 60 ARG H H 60 7.776 7.776 8.102 -0.326 19732 7377 1 14 . 1 1 61 61 GLN N N 61 119.475 119.475 119.063 0.412 19732 7378 1 14 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.118 -0.052 19732 7379 1 14 . 1 1 61 61 GLN C C 61 178.650 178.650 178.646 0.004 19732 7380 1 14 . 1 1 61 61 GLN CA C 61 59.025 59.025 59.030 -0.005 19732 7381 1 14 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.558 -0.406 19732 7382 1 14 . 1 1 61 61 GLN H H 61 8.460 8.460 7.567 0.893 19732 7383 1 14 . 1 1 62 62 LEU N N 62 117.882 117.882 119.233 -1.351 19732 7384 1 14 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.207 -0.079 19732 7385 1 14 . 1 1 62 62 LEU C C 62 179.260 179.260 179.035 0.225 19732 7386 1 14 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.932 1.063 19732 7387 1 14 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.399 0.232 19732 7388 1 14 . 1 1 62 62 LEU H H 62 8.742 8.742 8.558 0.184 19732 7389 1 14 . 1 1 63 63 ASN N N 63 117.409 117.409 118.085 -0.676 19732 7390 1 14 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.224 0.006 19732 7391 1 14 . 1 1 63 63 ASN C C 63 178.050 178.050 177.657 0.393 19732 7392 1 14 . 1 1 63 63 ASN CA C 63 56.665 56.665 55.916 0.749 19732 7393 1 14 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.403 0.275 19732 7394 1 14 . 1 1 63 63 ASN H H 63 8.279 8.279 8.288 -0.009 19732 7395 1 14 . 1 1 64 64 ARG N N 64 119.753 119.753 119.194 0.559 19732 7396 1 14 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.092 -0.050 19732 7397 1 14 . 1 1 64 64 ARG C C 64 178.914 178.914 178.702 0.212 19732 7398 1 14 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.410 0.450 19732 7399 1 14 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.842 -0.073 19732 7400 1 14 . 1 1 64 64 ARG H H 64 7.784 7.784 7.918 -0.134 19732 7401 1 14 . 1 1 65 65 LEU N N 65 120.009 120.009 118.769 1.240 19732 7402 1 14 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.010 -0.071 19732 7403 1 14 . 1 1 65 65 LEU C C 65 178.481 178.481 178.721 -0.240 19732 7404 1 14 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.437 0.870 19732 7405 1 14 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.569 0.888 19732 7406 1 14 . 1 1 65 65 LEU H H 65 7.779 7.779 7.335 0.444 19732 7407 1 14 . 1 1 66 66 PHE N N 66 118.503 118.503 120.223 -1.720 19732 7408 1 14 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.586 -0.611 19732 7409 1 14 . 1 1 66 66 PHE C C 66 178.269 178.269 177.002 1.267 19732 7410 1 14 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.911 0.926 19732 7411 1 14 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.330 -0.579 19732 7412 1 14 . 1 1 66 66 PHE H H 66 8.287 8.287 7.721 0.566 19732 7413 1 14 . 1 1 67 67 ALA N N 67 119.206 119.206 120.768 -1.562 19732 7414 1 14 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.181 -0.282 19732 7415 1 14 . 1 1 67 67 ALA C C 67 178.876 178.876 178.296 0.580 19732 7416 1 14 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.862 -0.204 19732 7417 1 14 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.797 -0.756 19732 7418 1 14 . 1 1 67 67 ALA H H 67 7.902 7.902 7.752 0.150 19732 7419 1 14 . 1 1 68 68 GLN N N 68 115.534 115.534 117.069 -1.535 19732 7420 1 14 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.305 -0.190 19732 7421 1 14 . 1 1 68 68 GLN C C 68 177.274 177.274 176.893 0.381 19732 7422 1 14 . 1 1 68 68 GLN CA C 68 56.396 56.396 55.920 0.476 19732 7423 1 14 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.855 -1.014 19732 7424 1 14 . 1 1 68 68 GLN H H 68 7.572 7.572 7.628 -0.056 19732 7425 1 14 . 1 1 69 69 GLY N N 69 106.861 106.861 104.613 2.248 19732 7426 1 14 . 1 1 69 69 GLY C C 69 173.690 173.690 172.775 0.915 19732 7427 1 14 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.905 -1.018 19732 7428 1 14 . 1 1 69 69 GLY H H 69 7.486 7.486 7.588 -0.102 19732 7429 1 14 . 1 1 70 70 MET N N 70 119.355 119.355 121.816 -2.461 19732 7430 1 14 . 1 1 70 70 MET HA H 70 4.117 4.117 3.458 0.659 19732 7431 1 14 . 1 1 70 70 MET C C 70 177.743 177.743 176.771 0.972 19732 7432 1 14 . 1 1 70 70 MET CA C 70 57.396 57.396 58.092 -0.696 19732 7433 1 14 . 1 1 70 70 MET CB C 70 30.638 30.638 32.489 -1.851 19732 7434 1 14 . 1 1 70 70 MET H H 70 8.245 8.245 8.492 -0.247 19732 7435 1 14 . 1 1 71 71 ALA N N 71 120.691 120.691 119.940 0.751 19732 7436 1 14 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.155 -0.092 19732 7437 1 14 . 1 1 71 71 ALA C C 71 181.027 181.027 179.370 1.657 19732 7438 1 14 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.559 1.083 19732 7439 1 14 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.120 -0.555 19732 7440 1 14 . 1 1 71 71 ALA H H 71 8.624 8.624 8.408 0.216 19732 7441 1 14 . 1 1 72 72 THR N N 72 116.354 116.354 116.024 0.330 19732 7442 1 14 . 1 1 72 72 THR HA H 72 3.825 3.825 4.013 -0.188 19732 7443 1 14 . 1 1 72 72 THR C C 72 174.861 174.861 176.254 -1.393 19732 7444 1 14 . 1 1 72 72 THR CA C 72 66.992 66.992 66.909 0.083 19732 7445 1 14 . 1 1 72 72 THR CB C 72 68.355 68.355 68.452 -0.097 19732 7446 1 14 . 1 1 72 72 THR H H 72 7.525 7.525 7.761 -0.236 19732 7447 1 14 . 1 1 73 73 TRP N N 73 122.292 122.292 123.260 -0.968 19732 7448 1 14 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.124 0.207 19732 7449 1 14 . 1 1 73 73 TRP C C 73 176.757 176.757 177.577 -0.820 19732 7450 1 14 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.335 -0.776 19732 7451 1 14 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.545 0.811 19732 7452 1 14 . 1 1 73 73 TRP H H 73 8.090 8.090 8.349 -0.259 19732 7453 1 14 . 1 1 74 74 LYS N N 74 115.768 115.768 118.020 -2.252 19732 7454 1 14 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.820 -0.081 19732 7455 1 14 . 1 1 74 74 LYS C C 74 178.957 178.957 179.392 -0.435 19732 7456 1 14 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.072 0.361 19732 7457 1 14 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.201 0.121 19732 7458 1 14 . 1 1 74 74 LYS H H 74 9.001 9.001 7.736 1.265 19732 7459 1 14 . 1 1 75 75 SER N N 75 115.378 115.378 115.950 -0.572 19732 7460 1 14 . 1 1 75 75 SER HA H 75 4.211 4.211 4.205 0.006 19732 7461 1 14 . 1 1 75 75 SER C C 75 175.465 175.465 176.065 -0.600 19732 7462 1 14 . 1 1 75 75 SER CA C 75 61.999 61.999 62.322 -0.322 19732 7463 1 14 . 1 1 75 75 SER CB C 75 63.160 63.160 63.194 -0.034 19732 7464 1 14 . 1 1 75 75 SER H H 75 7.604 7.604 8.515 -0.911 19732 7465 1 14 . 1 1 76 76 PHE N N 76 121.707 121.707 123.402 -1.695 19732 7466 1 14 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.067 -0.051 19732 7467 1 14 . 1 1 76 76 PHE C C 76 175.983 175.983 176.846 -0.863 19732 7468 1 14 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.295 0.187 19732 7469 1 14 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.855 -0.576 19732 7470 1 14 . 1 1 76 76 PHE H H 76 8.200 8.200 8.323 -0.123 19732 7471 1 14 . 1 1 77 77 ILE N N 77 117.448 117.448 118.516 -1.068 19732 7472 1 14 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.446 -0.115 19732 7473 1 14 . 1 1 77 77 ILE C C 77 177.919 177.919 177.839 0.080 19732 7474 1 14 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.513 -3.019 19732 7475 1 14 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.017 -1.295 19732 7476 1 14 . 1 1 77 77 ILE H H 77 8.193 8.193 8.530 -0.337 19732 7477 1 14 . 1 1 78 78 ASN N N 78 119.831 119.831 120.268 -0.437 19732 7478 1 14 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.456 -0.238 19732 7479 1 14 . 1 1 78 78 ASN C C 78 177.228 177.228 178.012 -0.784 19732 7480 1 14 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.848 0.943 19732 7481 1 14 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.512 0.792 19732 7482 1 14 . 1 1 78 78 ASN H H 78 8.224 8.224 7.814 0.410 19732 7483 1 14 . 1 1 79 79 ASP N N 79 119.402 119.402 122.249 -2.847 19732 7484 1 14 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.470 0.019 19732 7485 1 14 . 1 1 79 79 ASP C C 79 177.600 177.600 178.448 -0.848 19732 7486 1 14 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.928 -0.353 19732 7487 1 14 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.741 -0.824 19732 7488 1 14 . 1 1 79 79 ASP H H 79 8.028 8.028 8.028 0.000 19732 7489 1 14 . 1 1 80 80 LEU N N 80 122.293 122.293 121.765 0.528 19732 7490 1 14 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.537 -0.049 19732 7491 1 14 . 1 1 80 80 LEU C C 80 178.561 178.561 177.693 0.868 19732 7492 1 14 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.306 1.026 19732 7493 1 14 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.288 1.092 19732 7494 1 14 . 1 1 80 80 LEU H H 80 8.491 8.491 8.218 0.273 19732 7495 1 14 . 1 1 81 81 CYS N N 81 114.479 114.479 116.857 -2.378 19732 7496 1 14 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.154 -0.223 19732 7497 1 14 . 1 1 81 81 CYS C C 81 176.754 176.754 177.045 -0.291 19732 7498 1 14 . 1 1 81 81 CYS CA C 81 63.543 63.543 61.050 2.494 19732 7499 1 14 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.201 0.456 19732 7500 1 14 . 1 1 81 81 CYS H H 81 8.169 8.169 8.183 -0.014 19732 7501 1 14 . 1 1 82 82 PHE N N 82 115.964 115.964 122.455 -6.491 19732 7502 1 14 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.154 0.168 19732 7503 1 14 . 1 1 82 82 PHE C C 82 178.485 178.485 177.024 1.461 19732 7504 1 14 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.828 -0.952 19732 7505 1 14 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.445 0.386 19732 7506 1 14 . 1 1 82 82 PHE H H 82 7.863 7.863 8.284 -0.421 19732 7507 1 14 . 1 1 83 83 GLU N N 83 116.314 116.314 117.595 -1.281 19732 7508 1 14 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.192 -0.147 19732 7509 1 14 . 1 1 83 83 GLU C C 83 177.877 177.877 177.741 0.136 19732 7510 1 14 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.417 0.328 19732 7511 1 14 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.289 -0.011 19732 7512 1 14 . 1 1 83 83 GLU H H 83 9.049 9.049 8.591 0.458 19732 7513 1 14 . 1 1 84 84 LEU N N 84 116.042 116.042 118.490 -2.448 19732 7514 1 14 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.024 0.213 19732 7515 1 14 . 1 1 84 84 LEU C C 84 175.868 175.868 177.612 -1.744 19732 7516 1 14 . 1 1 84 84 LEU CA C 84 53.657 53.657 56.299 -2.642 19732 7517 1 14 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.594 -2.490 19732 7518 1 14 . 1 1 84 84 LEU H H 84 7.713 7.713 7.395 0.318 19732 7519 1 14 . 1 1 85 85 ASP N N 85 116.940 116.940 116.956 -0.016 19732 7520 1 14 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.574 -0.324 19732 7521 1 14 . 1 1 85 85 ASP C C 85 174.424 174.424 174.620 -0.196 19732 7522 1 14 . 1 1 85 85 ASP CA C 85 54.685 54.685 54.026 0.659 19732 7523 1 14 . 1 1 85 85 ASP CB C 85 38.821 38.821 43.259 -4.438 19732 7524 1 14 . 1 1 85 85 ASP H H 85 7.164 7.164 7.841 -0.677 19732 7525 1 14 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.381 0.025 19732 7526 1 14 . 1 1 87 87 PRO C C 87 177.572 177.572 176.732 0.840 19732 7527 1 14 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.608 -0.449 19732 7528 1 14 . 1 1 87 87 PRO CB C 87 32.260 32.260 32.096 0.164 19732 7529 1 14 . 1 1 88 88 LEU N N 88 122.410 122.410 126.593 -4.183 19732 7530 1 14 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.299 -0.368 19732 7531 1 14 . 1 1 88 88 LEU C C 88 179.214 179.214 177.736 1.478 19732 7532 1 14 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.342 1.939 19732 7533 1 14 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.082 -1.002 19732 7534 1 14 . 1 1 88 88 LEU H H 88 8.271 8.271 8.438 -0.167 19732 7535 1 14 . 1 1 91 91 GLU N N 91 121.224 121.224 121.544 -0.320 19732 7536 1 14 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.048 -0.511 19732 7537 1 14 . 1 1 91 91 GLU C C 91 176.926 176.926 177.864 -0.938 19732 7538 1 14 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.487 1.592 19732 7539 1 14 . 1 1 91 91 GLU CB C 91 29.485 29.485 27.879 1.606 19732 7540 1 14 . 1 1 91 91 GLU H H 91 7.775 7.775 8.562 -0.787 19732 7541 1 14 . 1 1 92 92 ILE N N 92 115.836 115.836 120.810 -4.974 19732 7542 1 14 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.040 -0.130 19732 7543 1 14 . 1 1 92 92 ILE C C 92 177.704 177.704 175.787 1.917 19732 7544 1 14 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.816 1.214 19732 7545 1 14 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.752 -0.301 19732 7546 1 14 . 1 1 92 92 ILE H H 92 8.259 8.259 8.405 -0.146 19732 7547 1 14 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.209 -0.092 19732 7548 1 14 . 1 1 93 93 PRO C C 93 178.653 178.653 178.642 0.011 19732 7549 1 14 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.253 -0.250 19732 7550 1 14 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.070 0.066 19732 7551 1 14 . 1 1 94 94 LEU N N 94 114.952 114.952 115.007 -0.055 19732 7552 1 14 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.297 -0.171 19732 7553 1 14 . 1 1 94 94 LEU C C 94 180.119 180.119 179.699 0.420 19732 7554 1 14 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.505 0.280 19732 7555 1 14 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.175 1.585 19732 7556 1 14 . 1 1 94 94 LEU H H 94 7.657 7.657 7.344 0.313 19732 7557 1 14 . 1 1 95 95 VAL N N 95 119.986 119.986 118.840 1.146 19732 7558 1 14 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.311 -0.303 19732 7559 1 14 . 1 1 95 95 VAL C C 95 177.559 177.559 178.039 -0.480 19732 7560 1 14 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.234 0.432 19732 7561 1 14 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.633 0.081 19732 7562 1 14 . 1 1 95 95 VAL H H 95 8.873 8.873 8.149 0.724 19732 7563 1 14 . 1 1 96 96 SER N N 96 111.863 111.863 113.854 -1.991 19732 7564 1 14 . 1 1 96 96 SER HA H 96 4.598 4.598 4.456 0.142 19732 7565 1 14 . 1 1 96 96 SER C C 96 175.113 175.113 175.860 -0.747 19732 7566 1 14 . 1 1 96 96 SER CA C 96 59.163 59.163 58.126 1.037 19732 7567 1 14 . 1 1 96 96 SER CB C 96 63.552 63.552 62.750 0.802 19732 7568 1 14 . 1 1 96 96 SER H H 96 7.823 7.823 8.254 -0.431 19732 7569 1 14 . 1 1 97 97 ILE N N 97 120.300 120.300 121.996 -1.696 19732 7570 1 14 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.858 -0.039 19732 7571 1 14 . 1 1 97 97 ILE C C 97 174.601 174.601 174.433 0.168 19732 7572 1 14 . 1 1 97 97 ILE CA C 97 63.804 63.804 64.634 -0.830 19732 7573 1 14 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.390 0.669 19732 7574 1 14 . 1 1 97 97 ILE H H 97 7.014 7.014 7.444 -0.430 19732 7575 1 14 . 1 1 98 98 TRP N N 98 120.222 120.222 115.478 4.744 19732 7576 1 14 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.737 -0.675 19732 7577 1 14 . 1 1 98 98 TRP C C 98 176.502 176.502 173.570 2.932 19732 7578 1 14 . 1 1 98 98 TRP CA C 98 57.790 57.790 56.545 1.245 19732 7579 1 14 . 1 1 98 98 TRP CB C 98 28.963 28.963 30.378 -1.415 19732 7580 1 14 . 1 1 98 98 TRP H H 98 7.651 7.651 6.985 0.666 19732 7581 1 14 . 1 1 99 99 GLY N N 99 109.003 109.003 107.728 1.275 19732 7582 1 14 . 1 1 99 99 GLY C C 99 170.846 170.846 173.440 -2.594 19732 7583 1 14 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.379 1.258 19732 7584 1 14 . 1 1 99 99 GLY H H 99 7.240 7.240 8.342 -1.102 19732 7585 1 14 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.178 0.121 19732 7586 1 14 . 1 1 100 100 PRO C C 100 176.200 176.200 175.770 0.430 19732 7587 1 14 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.315 0.689 19732 7588 1 14 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.178 1.630 19732 7589 1 15 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.534 -0.124 19732 7590 1 15 . 1 1 2 2 PRO C C 2 176.929 176.929 175.821 1.108 19732 7591 1 15 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.287 -0.146 19732 7592 1 15 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.828 0.406 19732 7593 1 15 . 1 1 3 3 LEU N N 3 121.746 121.746 125.136 -3.390 19732 7594 1 15 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.571 -0.294 19732 7595 1 15 . 1 1 3 3 LEU C C 3 177.789 177.789 177.339 0.450 19732 7596 1 15 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.162 1.205 19732 7597 1 15 . 1 1 3 3 LEU CB C 3 42.157 42.157 44.328 -2.171 19732 7598 1 15 . 1 1 3 3 LEU H H 3 8.420 8.420 8.305 0.115 19732 7599 1 15 . 1 1 4 4 GLY N N 4 109.400 109.400 109.043 0.357 19732 7600 1 15 . 1 1 4 4 GLY C C 4 174.208 174.208 173.877 0.331 19732 7601 1 15 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.071 0.184 19732 7602 1 15 . 1 1 4 4 GLY H H 4 8.326 8.326 8.529 -0.203 19732 7603 1 15 . 1 1 5 5 SER N N 5 115.339 115.339 115.526 -0.187 19732 7604 1 15 . 1 1 5 5 SER HA H 5 4.363 4.363 4.701 -0.338 19732 7605 1 15 . 1 1 5 5 SER C C 5 174.549 174.549 173.168 1.381 19732 7606 1 15 . 1 1 5 5 SER CA C 5 58.443 58.443 57.801 0.642 19732 7607 1 15 . 1 1 5 5 SER CB C 5 63.773 63.773 65.804 -2.031 19732 7608 1 15 . 1 1 5 5 SER H H 5 8.098 8.098 7.508 0.590 19732 7609 1 15 . 1 1 6 6 MET N N 6 121.404 121.404 119.838 1.566 19732 7610 1 15 . 1 1 6 6 MET HA H 6 4.427 4.427 4.683 -0.256 19732 7611 1 15 . 1 1 6 6 MET C C 6 175.724 175.724 175.113 0.611 19732 7612 1 15 . 1 1 6 6 MET CA C 6 55.612 55.612 54.604 1.008 19732 7613 1 15 . 1 1 6 6 MET CB C 6 32.874 32.874 32.557 0.317 19732 7614 1 15 . 1 1 6 6 MET H H 6 8.326 8.326 8.584 -0.258 19732 7615 1 15 . 1 1 7 7 ASP N N 7 120.769 120.769 119.695 1.074 19732 7616 1 15 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.998 -0.481 19732 7617 1 15 . 1 1 7 7 ASP C C 7 176.111 176.111 176.752 -0.641 19732 7618 1 15 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.081 0.055 19732 7619 1 15 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.629 0.656 19732 7620 1 15 . 1 1 7 7 ASP H H 7 8.114 8.114 8.122 -0.008 19732 7621 1 15 . 1 1 8 8 ALA N N 8 123.543 123.543 121.847 1.696 19732 7622 1 15 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.235 -0.176 19732 7623 1 15 . 1 1 8 8 ALA C C 8 178.788 178.788 178.515 0.273 19732 7624 1 15 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.200 -0.269 19732 7625 1 15 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.402 0.525 19732 7626 1 15 . 1 1 8 8 ALA H H 8 8.248 8.248 8.294 -0.046 19732 7627 1 15 . 1 1 9 9 GLU N N 9 118.034 118.034 117.909 0.125 19732 7628 1 15 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.097 0.029 19732 7629 1 15 . 1 1 9 9 GLU C C 9 177.485 177.485 178.678 -1.193 19732 7630 1 15 . 1 1 9 9 GLU CA C 9 57.840 57.840 58.773 -0.932 19732 7631 1 15 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.261 1.341 19732 7632 1 15 . 1 1 9 9 GLU H H 9 8.255 8.255 8.553 -0.298 19732 7633 1 15 . 1 1 10 10 SER N N 10 115.260 115.260 116.475 -1.215 19732 7634 1 15 . 1 1 10 10 SER HA H 10 4.232 4.232 4.281 -0.049 19732 7635 1 15 . 1 1 10 10 SER C C 10 175.552 175.552 175.552 0.000 19732 7636 1 15 . 1 1 10 10 SER CA C 10 60.015 60.015 61.202 -1.187 19732 7637 1 15 . 1 1 10 10 SER CB C 10 63.225 63.225 62.892 0.333 19732 7638 1 15 . 1 1 10 10 SER H H 10 7.992 7.992 7.828 0.164 19732 7639 1 15 . 1 1 11 11 ILE N N 11 121.199 121.199 120.198 1.001 19732 7640 1 15 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.038 -0.148 19732 7641 1 15 . 1 1 11 11 ILE C C 11 176.411 176.411 177.381 -0.970 19732 7642 1 15 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.408 -0.658 19732 7643 1 15 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.428 -0.155 19732 7644 1 15 . 1 1 11 11 ILE H H 11 7.729 7.729 7.116 0.613 19732 7645 1 15 . 1 1 12 12 ARG N N 12 121.248 121.248 116.227 5.021 19732 7646 1 15 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.462 -0.349 19732 7647 1 15 . 1 1 12 12 ARG C C 12 176.970 176.970 176.536 0.434 19732 7648 1 15 . 1 1 12 12 ARG CA C 12 57.077 57.077 54.870 2.207 19732 7649 1 15 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.873 -1.377 19732 7650 1 15 . 1 1 12 12 ARG H H 12 7.853 7.853 8.211 -0.358 19732 7651 1 15 . 1 1 13 13 LEU N N 13 120.701 120.701 117.454 3.247 19732 7652 1 15 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.017 0.201 19732 7653 1 15 . 1 1 13 13 LEU C C 13 177.620 177.620 176.092 1.528 19732 7654 1 15 . 1 1 13 13 LEU CA C 13 55.297 55.297 57.861 -2.564 19732 7655 1 15 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.165 2.009 19732 7656 1 15 . 1 1 13 13 LEU H H 13 8.020 8.020 8.551 -0.531 19732 7657 1 15 . 1 1 16 16 GLU N N 16 120.417 120.417 122.650 -2.233 19732 7658 1 15 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.184 -0.059 19732 7659 1 15 . 1 1 16 16 GLU C C 16 178.929 178.929 178.096 0.833 19732 7660 1 15 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.862 -0.257 19732 7661 1 15 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.701 -0.310 19732 7662 1 15 . 1 1 16 16 GLU H H 16 8.465 8.465 9.072 -0.607 19732 7663 1 15 . 1 1 17 17 ASN N N 17 118.855 118.855 116.586 2.269 19732 7664 1 15 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.570 0.049 19732 7665 1 15 . 1 1 17 17 ASN C C 17 177.835 177.835 177.537 0.298 19732 7666 1 15 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.317 -0.779 19732 7667 1 15 . 1 1 17 17 ASN CB C 17 38.211 38.211 37.971 0.240 19732 7668 1 15 . 1 1 17 17 ASN H H 17 8.428 8.428 8.929 -0.501 19732 7669 1 15 . 1 1 18 18 LEU N N 18 123.972 123.972 120.757 3.215 19732 7670 1 15 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.081 0.139 19732 7671 1 15 . 1 1 18 18 LEU C C 18 178.248 178.248 178.665 -0.417 19732 7672 1 15 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.201 -0.316 19732 7673 1 15 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.568 0.129 19732 7674 1 15 . 1 1 18 18 LEU H H 18 8.208 8.208 7.571 0.637 19732 7675 1 15 . 1 1 19 19 TRP N N 19 119.362 119.362 121.224 -1.862 19732 7676 1 15 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.365 -0.199 19732 7677 1 15 . 1 1 19 19 TRP C C 19 177.617 177.617 177.489 0.128 19732 7678 1 15 . 1 1 19 19 TRP CA C 19 60.896 60.896 59.907 0.989 19732 7679 1 15 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.744 -0.317 19732 7680 1 15 . 1 1 19 19 TRP H H 19 8.316 8.316 7.551 0.765 19732 7681 1 15 . 1 1 20 20 ALA N N 20 118.581 118.581 122.994 -4.413 19732 7682 1 15 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.923 0.127 19732 7683 1 15 . 1 1 20 20 ALA C C 20 180.422 180.422 178.763 1.659 19732 7684 1 15 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.439 -0.275 19732 7685 1 15 . 1 1 20 20 ALA CB C 20 18.040 18.040 18.122 -0.082 19732 7686 1 15 . 1 1 20 20 ALA H H 20 7.957 7.957 8.530 -0.574 19732 7687 1 15 . 1 1 21 21 TRP N N 21 119.753 119.753 121.302 -1.549 19732 7688 1 15 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.245 -0.352 19732 7689 1 15 . 1 1 21 21 TRP C C 21 177.494 177.494 177.905 -0.411 19732 7690 1 15 . 1 1 21 21 TRP CA C 21 62.098 62.098 61.533 0.565 19732 7691 1 15 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.741 -1.098 19732 7692 1 15 . 1 1 21 21 TRP H H 21 8.043 8.043 8.344 -0.301 19732 7693 1 15 . 1 1 22 22 LEU N N 22 122.136 122.136 120.122 2.014 19732 7694 1 15 . 1 1 22 22 LEU HA H 22 3.439 3.439 4.098 -0.659 19732 7695 1 15 . 1 1 22 22 LEU C C 22 178.075 178.075 178.869 -0.794 19732 7696 1 15 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.435 -0.680 19732 7697 1 15 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.252 0.718 19732 7698 1 15 . 1 1 22 22 LEU H H 22 8.553 8.553 8.477 0.076 19732 7699 1 15 . 1 1 23 23 VAL N N 23 118.034 118.034 118.409 -0.375 19732 7700 1 15 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.366 -0.053 19732 7701 1 15 . 1 1 23 23 VAL C C 23 178.401 178.401 177.785 0.616 19732 7702 1 15 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.115 0.008 19732 7703 1 15 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.197 0.103 19732 7704 1 15 . 1 1 23 23 VAL H H 23 8.341 8.341 8.133 0.208 19732 7705 1 15 . 1 1 24 24 ARG N N 24 120.377 120.377 119.257 1.120 19732 7706 1 15 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.870 -0.056 19732 7707 1 15 . 1 1 24 24 ARG C C 24 179.205 179.205 178.529 0.676 19732 7708 1 15 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.354 0.750 19732 7709 1 15 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.219 -0.183 19732 7710 1 15 . 1 1 24 24 ARG H H 24 7.856 7.856 7.829 0.027 19732 7711 1 15 . 1 1 25 25 LEU N N 25 121.668 121.668 120.443 1.225 19732 7712 1 15 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.809 -0.146 19732 7713 1 15 . 1 1 25 25 LEU C C 25 179.943 179.943 179.248 0.695 19732 7714 1 15 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.294 0.754 19732 7715 1 15 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.816 0.213 19732 7716 1 15 . 1 1 25 25 LEU H H 25 7.838 7.838 8.042 -0.204 19732 7717 1 15 . 1 1 26 26 LEU N N 26 118.308 118.308 118.306 0.002 19732 7718 1 15 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.090 -0.179 19732 7719 1 15 . 1 1 26 26 LEU C C 26 179.471 179.471 179.456 0.015 19732 7720 1 15 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.383 0.090 19732 7721 1 15 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.944 0.084 19732 7722 1 15 . 1 1 26 26 LEU H H 26 8.247 8.247 8.332 -0.085 19732 7723 1 15 . 1 1 27 27 SER N N 27 115.768 115.768 113.546 2.222 19732 7724 1 15 . 1 1 27 27 SER HA H 27 4.020 4.020 4.236 -0.216 19732 7725 1 15 . 1 1 27 27 SER C C 27 174.990 174.990 175.116 -0.126 19732 7726 1 15 . 1 1 27 27 SER CA C 27 61.755 61.755 60.339 1.416 19732 7727 1 15 . 1 1 27 27 SER CB C 27 62.755 62.755 63.002 -0.247 19732 7728 1 15 . 1 1 27 27 SER H H 27 8.436 8.436 7.878 0.558 19732 7729 1 15 . 1 1 28 28 LYS N N 28 117.644 117.644 117.668 -0.024 19732 7730 1 15 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.333 -0.019 19732 7731 1 15 . 1 1 28 28 LYS C C 28 175.979 175.979 176.196 -0.217 19732 7732 1 15 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.032 0.155 19732 7733 1 15 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.766 0.025 19732 7734 1 15 . 1 1 28 28 LYS H H 28 7.014 7.014 7.343 -0.329 19732 7735 1 15 . 1 1 29 29 ASN N N 29 118.347 118.347 118.036 0.311 19732 7736 1 15 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.278 0.004 19732 7737 1 15 . 1 1 29 29 ASN C C 29 171.835 171.835 173.522 -1.687 19732 7738 1 15 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.398 0.927 19732 7739 1 15 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.847 1.779 19732 7740 1 15 . 1 1 29 29 ASN H H 29 7.611 7.611 7.774 -0.163 19732 7741 1 15 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.486 -0.035 19732 7742 1 15 . 1 1 30 30 PRO C C 30 179.560 179.560 178.543 1.017 19732 7743 1 15 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.152 0.717 19732 7744 1 15 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.010 -0.608 19732 7745 1 15 . 1 1 31 31 GLU N N 31 119.636 119.636 118.285 1.351 19732 7746 1 15 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.123 0.003 19732 7747 1 15 . 1 1 31 31 GLU C C 31 179.253 179.253 178.858 0.395 19732 7748 1 15 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.666 0.006 19732 7749 1 15 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.059 -0.694 19732 7750 1 15 . 1 1 31 31 GLU H H 31 8.593 8.593 8.995 -0.402 19732 7751 1 15 . 1 1 32 32 TRP N N 32 122.293 122.293 121.574 0.719 19732 7752 1 15 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.424 -0.391 19732 7753 1 15 . 1 1 32 32 TRP C C 32 178.055 178.055 177.971 0.084 19732 7754 1 15 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.025 0.831 19732 7755 1 15 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.780 -0.664 19732 7756 1 15 . 1 1 32 32 TRP H H 32 7.933 7.933 7.433 0.500 19732 7757 1 15 . 1 1 33 33 LEU N N 33 117.409 117.409 120.288 -2.879 19732 7758 1 15 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.744 0.146 19732 7759 1 15 . 1 1 33 33 LEU C C 33 177.934 177.934 178.979 -1.045 19732 7760 1 15 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.242 -0.064 19732 7761 1 15 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.291 0.267 19732 7762 1 15 . 1 1 33 33 LEU H H 33 8.012 8.012 8.292 -0.280 19732 7763 1 15 . 1 1 34 34 SER N N 34 113.257 113.257 115.245 -1.988 19732 7764 1 15 . 1 1 34 34 SER HA H 34 3.975 3.975 4.048 -0.073 19732 7765 1 15 . 1 1 34 34 SER C C 34 176.363 176.363 176.576 -0.213 19732 7766 1 15 . 1 1 34 34 SER CA C 34 62.194 62.194 62.332 -0.138 19732 7767 1 15 . 1 1 34 34 SER CB C 34 62.739 62.739 62.621 0.117 19732 7768 1 15 . 1 1 34 34 SER H H 34 8.335 8.335 8.520 -0.185 19732 7769 1 15 . 1 1 35 35 ALA N N 35 121.511 121.511 123.386 -1.875 19732 7770 1 15 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.964 -0.007 19732 7771 1 15 . 1 1 35 35 ALA C C 35 180.728 180.728 179.548 1.180 19732 7772 1 15 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.893 -0.004 19732 7773 1 15 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.232 -0.457 19732 7774 1 15 . 1 1 35 35 ALA H H 35 7.391 7.391 7.424 -0.033 19732 7775 1 15 . 1 1 36 36 LYS N N 36 118.386 118.386 117.846 0.540 19732 7776 1 15 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.997 -0.163 19732 7777 1 15 . 1 1 36 36 LYS C C 36 179.578 179.578 179.082 0.496 19732 7778 1 15 . 1 1 36 36 LYS CA C 36 56.597 56.597 58.030 -1.433 19732 7779 1 15 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.973 -1.490 19732 7780 1 15 . 1 1 36 36 LYS H H 36 7.823 7.823 7.484 0.339 19732 7781 1 15 . 1 1 37 37 LEU N N 37 119.480 119.480 119.634 -0.154 19732 7782 1 15 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.088 -0.198 19732 7783 1 15 . 1 1 37 37 LEU C C 37 178.529 178.529 178.889 -0.360 19732 7784 1 15 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.268 0.379 19732 7785 1 15 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.335 -0.187 19732 7786 1 15 . 1 1 37 37 LEU H H 37 8.725 8.725 8.588 0.137 19732 7787 1 15 . 1 1 38 38 ARG N N 38 115.612 115.612 117.007 -1.395 19732 7788 1 15 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.033 -0.036 19732 7789 1 15 . 1 1 38 38 ARG C C 38 177.661 177.661 178.142 -0.481 19732 7790 1 15 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.187 -0.675 19732 7791 1 15 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.917 0.018 19732 7792 1 15 . 1 1 38 38 ARG H H 38 7.446 7.446 7.908 -0.462 19732 7793 1 15 . 1 1 39 39 SER N N 39 111.883 111.883 112.870 -0.987 19732 7794 1 15 . 1 1 39 39 SER HA H 39 4.160 4.160 4.286 -0.126 19732 7795 1 15 . 1 1 39 39 SER C C 39 175.401 175.401 175.447 -0.046 19732 7796 1 15 . 1 1 39 39 SER CA C 39 60.359 60.359 59.876 0.483 19732 7797 1 15 . 1 1 39 39 SER CB C 39 63.228 63.228 63.055 0.173 19732 7798 1 15 . 1 1 39 39 SER H H 39 7.353 7.353 7.371 -0.018 19732 7799 1 15 . 1 1 40 40 PHE N N 40 117.136 117.136 118.993 -1.857 19732 7800 1 15 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.462 0.152 19732 7801 1 15 . 1 1 40 40 PHE C C 40 175.852 175.852 176.004 -0.152 19732 7802 1 15 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.581 -0.871 19732 7803 1 15 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.682 2.012 19732 7804 1 15 . 1 1 40 40 PHE H H 40 7.792 7.792 7.463 0.329 19732 7805 1 15 . 1 1 41 41 LEU N N 41 119.050 119.050 119.464 -0.414 19732 7806 1 15 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.623 0.254 19732 7807 1 15 . 1 1 41 41 LEU C C 41 174.510 174.510 176.309 -1.799 19732 7808 1 15 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.508 -0.416 19732 7809 1 15 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.626 0.411 19732 7810 1 15 . 1 1 41 41 LEU H H 41 8.114 8.114 8.148 -0.034 19732 7811 1 15 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.444 -0.142 19732 7812 1 15 . 1 1 42 42 PRO C C 42 177.620 177.620 177.150 0.470 19732 7813 1 15 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.471 -0.700 19732 7814 1 15 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.322 -0.641 19732 7815 1 15 . 1 1 43 43 THR N N 43 109.752 109.752 114.805 -5.053 19732 7816 1 15 . 1 1 43 43 THR HA H 43 4.256 4.256 4.476 -0.220 19732 7817 1 15 . 1 1 43 43 THR C C 43 174.467 174.467 173.930 0.537 19732 7818 1 15 . 1 1 43 43 THR CA C 43 61.657 61.657 60.632 1.025 19732 7819 1 15 . 1 1 43 43 THR CB C 43 69.450 69.450 68.840 0.610 19732 7820 1 15 . 1 1 43 43 THR H H 43 7.671 7.671 7.661 0.010 19732 7821 1 15 . 1 1 44 44 MET N N 44 121.568 121.568 121.896 -0.328 19732 7822 1 15 . 1 1 44 44 MET HA H 44 4.363 4.363 4.402 -0.039 19732 7823 1 15 . 1 1 44 44 MET C C 44 175.373 175.373 175.840 -0.467 19732 7824 1 15 . 1 1 44 44 MET CA C 44 55.710 55.710 54.975 0.735 19732 7825 1 15 . 1 1 44 44 MET CB C 44 32.989 32.989 32.385 0.604 19732 7826 1 15 . 1 1 44 44 MET H H 44 8.037 8.037 7.355 0.682 19732 7827 1 15 . 1 1 45 45 ASP N N 45 121.980 121.980 127.280 -5.300 19732 7828 1 15 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.670 -0.149 19732 7829 1 15 . 1 1 45 45 ASP C C 45 176.022 176.022 176.048 -0.026 19732 7830 1 15 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.528 0.843 19732 7831 1 15 . 1 1 45 45 ASP CB C 45 41.147 41.147 39.763 1.384 19732 7832 1 15 . 1 1 45 45 ASP H H 45 8.230 8.230 8.598 -0.368 19732 7833 1 15 . 1 1 46 46 LEU N N 46 122.192 122.192 120.874 1.318 19732 7834 1 15 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.558 -0.414 19732 7835 1 15 . 1 1 46 46 LEU C C 46 177.018 177.018 177.681 -0.663 19732 7836 1 15 . 1 1 46 46 LEU CA C 46 55.913 55.913 56.119 -0.206 19732 7837 1 15 . 1 1 46 46 LEU CB C 46 42.176 42.176 41.910 0.266 19732 7838 1 15 . 1 1 46 46 LEU H H 46 8.028 8.028 7.569 0.459 19732 7839 1 15 . 1 1 47 47 ASP N N 47 120.573 120.573 118.977 1.596 19732 7840 1 15 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.511 0.014 19732 7841 1 15 . 1 1 47 47 ASP C C 47 176.370 176.370 176.009 0.361 19732 7842 1 15 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.696 -0.489 19732 7843 1 15 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.859 0.295 19732 7844 1 15 . 1 1 47 47 ASP H H 47 8.238 8.238 8.469 -0.231 19732 7845 1 15 . 1 1 48 48 CYS N N 48 118.464 118.464 120.294 -1.830 19732 7846 1 15 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.531 -0.102 19732 7847 1 15 . 1 1 48 48 CYS C C 48 174.340 174.340 173.753 0.587 19732 7848 1 15 . 1 1 48 48 CYS CA C 48 58.513 58.513 57.965 0.548 19732 7849 1 15 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.605 0.347 19732 7850 1 15 . 1 1 48 48 CYS H H 48 8.068 8.068 7.868 0.200 19732 7851 1 15 . 1 1 49 49 SER N N 49 116.784 116.784 120.762 -3.978 19732 7852 1 15 . 1 1 49 49 SER HA H 49 4.302 4.302 4.316 -0.014 19732 7853 1 15 . 1 1 49 49 SER C C 49 173.897 173.897 174.726 -0.829 19732 7854 1 15 . 1 1 49 49 SER CA C 49 58.718 58.718 56.996 1.722 19732 7855 1 15 . 1 1 49 49 SER CB C 49 63.636 63.636 62.022 1.614 19732 7856 1 15 . 1 1 49 49 SER H H 49 8.185 8.185 8.253 -0.068 19732 7857 1 15 . 1 1 50 50 TYR N N 50 120.886 120.886 121.143 -0.257 19732 7858 1 15 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.450 0.062 19732 7859 1 15 . 1 1 50 50 TYR C C 50 174.818 174.818 176.120 -1.302 19732 7860 1 15 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.597 -1.111 19732 7861 1 15 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.191 0.605 19732 7862 1 15 . 1 1 50 50 TYR H H 50 7.776 7.776 7.165 0.611 19732 7863 1 15 . 1 1 51 51 GLU N N 51 122.800 122.800 119.109 3.691 19732 7864 1 15 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.758 -0.203 19732 7865 1 15 . 1 1 51 51 GLU C C 51 174.508 174.508 174.277 0.231 19732 7866 1 15 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.299 0.629 19732 7867 1 15 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.613 -1.388 19732 7868 1 15 . 1 1 51 51 GLU H H 51 8.026 8.026 7.891 0.135 19732 7869 1 15 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.548 -0.246 19732 7870 1 15 . 1 1 52 52 PRO C C 52 176.065 176.065 177.644 -1.579 19732 7871 1 15 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.043 1.641 19732 7872 1 15 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.290 -0.727 19732 7873 1 15 . 1 1 53 53 SER N N 53 110.611 110.611 116.193 -5.582 19732 7874 1 15 . 1 1 53 53 SER HA H 53 4.302 4.302 4.352 -0.050 19732 7875 1 15 . 1 1 53 53 SER C C 53 173.858 173.858 173.965 -0.107 19732 7876 1 15 . 1 1 53 53 SER CA C 53 58.508 58.508 58.621 -0.113 19732 7877 1 15 . 1 1 53 53 SER CB C 53 63.636 63.636 61.529 2.107 19732 7878 1 15 . 1 1 53 53 SER H H 53 7.934 7.934 8.669 -0.735 19732 7879 1 15 . 1 1 54 54 ASN N N 54 121.155 121.155 122.625 -1.470 19732 7880 1 15 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.761 0.117 19732 7881 1 15 . 1 1 54 54 ASN C C 54 174.167 174.167 174.894 -0.727 19732 7882 1 15 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.418 -0.947 19732 7883 1 15 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.154 0.850 19732 7884 1 15 . 1 1 54 54 ASN H H 54 7.666 7.666 8.023 -0.357 19732 7885 1 15 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.132 -0.103 19732 7886 1 15 . 1 1 55 55 PRO C C 55 177.787 177.787 178.488 -0.701 19732 7887 1 15 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.204 -0.618 19732 7888 1 15 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.913 0.450 19732 7889 1 15 . 1 1 56 56 GLU N N 56 117.292 117.292 116.624 0.668 19732 7890 1 15 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.325 -0.255 19732 7891 1 15 . 1 1 56 56 GLU C C 56 179.258 179.258 178.655 0.603 19732 7892 1 15 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.066 0.406 19732 7893 1 15 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.059 0.065 19732 7894 1 15 . 1 1 56 56 GLU H H 56 8.153 8.153 8.753 -0.600 19732 7895 1 15 . 1 1 57 57 VAL N N 57 120.730 120.730 120.932 -0.202 19732 7896 1 15 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.835 -0.267 19732 7897 1 15 . 1 1 57 57 VAL C C 57 178.039 178.039 177.755 0.284 19732 7898 1 15 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.412 -0.447 19732 7899 1 15 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.661 0.324 19732 7900 1 15 . 1 1 57 57 VAL H H 57 7.556 7.556 7.547 0.009 19732 7901 1 15 . 1 1 58 58 ILE N N 58 119.892 119.892 120.634 -0.742 19732 7902 1 15 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.991 -0.281 19732 7903 1 15 . 1 1 58 58 ILE C C 58 178.096 178.096 178.329 -0.233 19732 7904 1 15 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.730 1.482 19732 7905 1 15 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.392 0.925 19732 7906 1 15 . 1 1 58 58 ILE H H 58 7.784 7.784 8.551 -0.767 19732 7907 1 15 . 1 1 59 59 HIS N N 59 117.644 117.644 119.643 -1.999 19732 7908 1 15 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.448 -0.301 19732 7909 1 15 . 1 1 59 59 HIS C C 59 177.576 177.576 177.716 -0.140 19732 7910 1 15 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.239 0.256 19732 7911 1 15 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.447 -0.168 19732 7912 1 15 . 1 1 59 59 HIS H H 59 8.350 8.350 8.635 -0.285 19732 7913 1 15 . 1 1 60 60 ARG N N 60 118.248 118.248 119.131 -0.883 19732 7914 1 15 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.914 0.132 19732 7915 1 15 . 1 1 60 60 ARG C C 60 179.642 179.642 178.537 1.105 19732 7916 1 15 . 1 1 60 60 ARG CA C 60 59.946 59.946 60.165 -0.219 19732 7917 1 15 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.974 0.333 19732 7918 1 15 . 1 1 60 60 ARG H H 60 7.776 7.776 8.033 -0.257 19732 7919 1 15 . 1 1 61 61 GLN N N 61 119.475 119.475 118.363 1.112 19732 7920 1 15 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.074 -0.008 19732 7921 1 15 . 1 1 61 61 GLN C C 61 178.650 178.650 178.648 0.002 19732 7922 1 15 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.861 0.164 19732 7923 1 15 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.553 -0.401 19732 7924 1 15 . 1 1 61 61 GLN H H 61 8.460 8.460 7.603 0.857 19732 7925 1 15 . 1 1 62 62 LEU N N 62 117.882 117.882 119.344 -1.462 19732 7926 1 15 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.293 -0.165 19732 7927 1 15 . 1 1 62 62 LEU C C 62 179.260 179.260 179.044 0.216 19732 7928 1 15 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.892 1.103 19732 7929 1 15 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.329 0.302 19732 7930 1 15 . 1 1 62 62 LEU H H 62 8.742 8.742 8.578 0.164 19732 7931 1 15 . 1 1 63 63 ASN N N 63 117.409 117.409 118.525 -1.116 19732 7932 1 15 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.316 -0.086 19732 7933 1 15 . 1 1 63 63 ASN C C 63 178.050 178.050 177.600 0.450 19732 7934 1 15 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.169 0.496 19732 7935 1 15 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.322 0.356 19732 7936 1 15 . 1 1 63 63 ASN H H 63 8.279 8.279 8.519 -0.240 19732 7937 1 15 . 1 1 64 64 ARG N N 64 119.753 119.753 119.163 0.590 19732 7938 1 15 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.085 -0.043 19732 7939 1 15 . 1 1 64 64 ARG C C 64 178.914 178.914 178.745 0.169 19732 7940 1 15 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.479 0.381 19732 7941 1 15 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.809 -0.040 19732 7942 1 15 . 1 1 64 64 ARG H H 64 7.784 7.784 7.809 -0.025 19732 7943 1 15 . 1 1 65 65 LEU N N 65 120.009 120.009 119.717 0.292 19732 7944 1 15 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.024 -0.085 19732 7945 1 15 . 1 1 65 65 LEU C C 65 178.481 178.481 178.934 -0.453 19732 7946 1 15 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.536 0.771 19732 7947 1 15 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.658 0.799 19732 7948 1 15 . 1 1 65 65 LEU H H 65 7.779 7.779 7.372 0.407 19732 7949 1 15 . 1 1 66 66 PHE N N 66 118.503 118.503 120.542 -2.039 19732 7950 1 15 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.514 -0.539 19732 7951 1 15 . 1 1 66 66 PHE C C 66 178.269 178.269 177.103 1.166 19732 7952 1 15 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.001 0.836 19732 7953 1 15 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.983 -0.232 19732 7954 1 15 . 1 1 66 66 PHE H H 66 8.287 8.287 7.758 0.529 19732 7955 1 15 . 1 1 67 67 ALA N N 67 119.206 119.206 122.040 -2.834 19732 7956 1 15 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.806 0.093 19732 7957 1 15 . 1 1 67 67 ALA C C 67 178.876 178.876 178.757 0.119 19732 7958 1 15 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.885 -0.227 19732 7959 1 15 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.727 -0.686 19732 7960 1 15 . 1 1 67 67 ALA H H 67 7.902 7.902 8.119 -0.217 19732 7961 1 15 . 1 1 68 68 GLN N N 68 115.534 115.534 116.734 -1.200 19732 7962 1 15 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.243 -0.128 19732 7963 1 15 . 1 1 68 68 GLN C C 68 177.274 177.274 177.001 0.273 19732 7964 1 15 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.313 0.083 19732 7965 1 15 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.716 -0.875 19732 7966 1 15 . 1 1 68 68 GLN H H 68 7.572 7.572 7.768 -0.196 19732 7967 1 15 . 1 1 69 69 GLY N N 69 106.861 106.861 104.391 2.470 19732 7968 1 15 . 1 1 69 69 GLY C C 69 173.690 173.690 173.588 0.102 19732 7969 1 15 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.973 -1.086 19732 7970 1 15 . 1 1 69 69 GLY H H 69 7.486 7.486 7.624 -0.138 19732 7971 1 15 . 1 1 70 70 MET N N 70 119.355 119.355 120.304 -0.949 19732 7972 1 15 . 1 1 70 70 MET HA H 70 4.117 4.117 4.715 -0.598 19732 7973 1 15 . 1 1 70 70 MET C C 70 177.743 177.743 177.672 0.071 19732 7974 1 15 . 1 1 70 70 MET CA C 70 57.396 57.396 57.957 -0.561 19732 7975 1 15 . 1 1 70 70 MET CB C 70 30.638 30.638 32.356 -1.718 19732 7976 1 15 . 1 1 70 70 MET H H 70 8.245 8.245 8.609 -0.364 19732 7977 1 15 . 1 1 71 71 ALA N N 71 120.691 120.691 122.765 -2.074 19732 7978 1 15 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.315 -0.252 19732 7979 1 15 . 1 1 71 71 ALA C C 71 181.027 181.027 179.877 1.150 19732 7980 1 15 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.867 0.775 19732 7981 1 15 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.657 -0.092 19732 7982 1 15 . 1 1 71 71 ALA H H 71 8.624 8.624 8.504 0.120 19732 7983 1 15 . 1 1 72 72 THR N N 72 116.354 116.354 116.310 0.044 19732 7984 1 15 . 1 1 72 72 THR HA H 72 3.825 3.825 3.980 -0.155 19732 7985 1 15 . 1 1 72 72 THR C C 72 174.861 174.861 176.343 -1.482 19732 7986 1 15 . 1 1 72 72 THR CA C 72 66.992 66.992 66.726 0.266 19732 7987 1 15 . 1 1 72 72 THR CB C 72 68.355 68.355 68.667 -0.312 19732 7988 1 15 . 1 1 72 72 THR H H 72 7.525 7.525 7.872 -0.347 19732 7989 1 15 . 1 1 73 73 TRP N N 73 122.292 122.292 122.345 -0.053 19732 7990 1 15 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.296 0.035 19732 7991 1 15 . 1 1 73 73 TRP C C 73 176.757 176.757 177.574 -0.817 19732 7992 1 15 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.774 -0.215 19732 7993 1 15 . 1 1 73 73 TRP CB C 73 30.356 30.356 30.070 0.286 19732 7994 1 15 . 1 1 73 73 TRP H H 73 8.090 8.090 8.401 -0.311 19732 7995 1 15 . 1 1 74 74 LYS N N 74 115.768 115.768 118.851 -3.083 19732 7996 1 15 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.791 -0.052 19732 7997 1 15 . 1 1 74 74 LYS C C 74 178.957 178.957 179.273 -0.316 19732 7998 1 15 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.405 0.028 19732 7999 1 15 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.213 0.109 19732 8000 1 15 . 1 1 74 74 LYS H H 74 9.001 9.001 8.132 0.869 19732 8001 1 15 . 1 1 75 75 SER N N 75 115.378 115.378 115.949 -0.571 19732 8002 1 15 . 1 1 75 75 SER HA H 75 4.211 4.211 4.247 -0.036 19732 8003 1 15 . 1 1 75 75 SER C C 75 175.465 175.465 176.468 -1.003 19732 8004 1 15 . 1 1 75 75 SER CA C 75 61.999 61.999 61.956 0.043 19732 8005 1 15 . 1 1 75 75 SER CB C 75 63.160 63.160 63.166 -0.006 19732 8006 1 15 . 1 1 75 75 SER H H 75 7.604 7.604 8.222 -0.618 19732 8007 1 15 . 1 1 76 76 PHE N N 76 121.707 121.707 123.924 -2.217 19732 8008 1 15 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.213 -0.197 19732 8009 1 15 . 1 1 76 76 PHE C C 76 175.983 175.983 176.830 -0.847 19732 8010 1 15 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.297 0.185 19732 8011 1 15 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.998 -0.719 19732 8012 1 15 . 1 1 76 76 PHE H H 76 8.200 8.200 8.248 -0.048 19732 8013 1 15 . 1 1 77 77 ILE N N 77 117.448 117.448 118.623 -1.175 19732 8014 1 15 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.419 -0.088 19732 8015 1 15 . 1 1 77 77 ILE C C 77 177.919 177.919 177.869 0.050 19732 8016 1 15 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.512 -3.018 19732 8017 1 15 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.141 -1.419 19732 8018 1 15 . 1 1 77 77 ILE H H 77 8.193 8.193 8.430 -0.237 19732 8019 1 15 . 1 1 78 78 ASN N N 78 119.831 119.831 119.319 0.512 19732 8020 1 15 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.557 -0.339 19732 8021 1 15 . 1 1 78 78 ASN C C 78 177.228 177.228 177.431 -0.203 19732 8022 1 15 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.573 1.218 19732 8023 1 15 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.601 0.703 19732 8024 1 15 . 1 1 78 78 ASN H H 78 8.224 8.224 7.829 0.395 19732 8025 1 15 . 1 1 79 79 ASP N N 79 119.402 119.402 121.426 -2.024 19732 8026 1 15 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.550 -0.061 19732 8027 1 15 . 1 1 79 79 ASP C C 79 177.600 177.600 178.515 -0.915 19732 8028 1 15 . 1 1 79 79 ASP CA C 79 57.575 57.575 56.917 0.658 19732 8029 1 15 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.758 -0.841 19732 8030 1 15 . 1 1 79 79 ASP H H 79 8.028 8.028 7.836 0.192 19732 8031 1 15 . 1 1 80 80 LEU N N 80 122.293 122.293 122.072 0.221 19732 8032 1 15 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.699 -0.211 19732 8033 1 15 . 1 1 80 80 LEU C C 80 178.561 178.561 178.557 0.004 19732 8034 1 15 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.309 1.023 19732 8035 1 15 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.225 1.155 19732 8036 1 15 . 1 1 80 80 LEU H H 80 8.491 8.491 8.426 0.065 19732 8037 1 15 . 1 1 81 81 CYS N N 81 114.479 114.479 116.760 -2.281 19732 8038 1 15 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.058 -0.127 19732 8039 1 15 . 1 1 81 81 CYS C C 81 176.754 176.754 177.428 -0.674 19732 8040 1 15 . 1 1 81 81 CYS CA C 81 63.543 63.543 62.707 0.836 19732 8041 1 15 . 1 1 81 81 CYS CB C 81 26.657 26.657 25.958 0.699 19732 8042 1 15 . 1 1 81 81 CYS H H 81 8.169 8.169 7.947 0.222 19732 8043 1 15 . 1 1 82 82 PHE N N 82 115.964 115.964 121.564 -5.600 19732 8044 1 15 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.220 0.102 19732 8045 1 15 . 1 1 82 82 PHE C C 82 178.485 178.485 177.366 1.119 19732 8046 1 15 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.350 -0.474 19732 8047 1 15 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.484 0.347 19732 8048 1 15 . 1 1 82 82 PHE H H 82 7.863 7.863 7.436 0.427 19732 8049 1 15 . 1 1 83 83 GLU N N 83 116.314 116.314 118.882 -2.568 19732 8050 1 15 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.108 -0.063 19732 8051 1 15 . 1 1 83 83 GLU C C 83 177.877 177.877 177.952 -0.075 19732 8052 1 15 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.834 -0.089 19732 8053 1 15 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.092 0.186 19732 8054 1 15 . 1 1 83 83 GLU H H 83 9.049 9.049 8.880 0.169 19732 8055 1 15 . 1 1 84 84 LEU N N 84 116.042 116.042 118.105 -2.063 19732 8056 1 15 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.093 0.144 19732 8057 1 15 . 1 1 84 84 LEU C C 84 175.868 175.868 176.898 -1.030 19732 8058 1 15 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.226 -0.569 19732 8059 1 15 . 1 1 84 84 LEU CB C 84 40.104 40.104 40.955 -0.851 19732 8060 1 15 . 1 1 84 84 LEU H H 84 7.713 7.713 7.382 0.331 19732 8061 1 15 . 1 1 85 85 ASP N N 85 116.940 116.940 118.054 -1.114 19732 8062 1 15 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.069 0.181 19732 8063 1 15 . 1 1 85 85 ASP C C 85 174.424 174.424 176.011 -1.587 19732 8064 1 15 . 1 1 85 85 ASP CA C 85 54.685 54.685 56.896 -2.211 19732 8065 1 15 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.945 -1.124 19732 8066 1 15 . 1 1 85 85 ASP H H 85 7.164 7.164 7.655 -0.491 19732 8067 1 15 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.526 -0.120 19732 8068 1 15 . 1 1 87 87 PRO C C 87 177.572 177.572 176.880 0.692 19732 8069 1 15 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.059 1.101 19732 8070 1 15 . 1 1 87 87 PRO CB C 87 32.260 32.260 30.891 1.369 19732 8071 1 15 . 1 1 88 88 LEU N N 88 122.410 122.410 119.759 2.651 19732 8072 1 15 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.041 -0.110 19732 8073 1 15 . 1 1 88 88 LEU C C 88 179.214 179.214 177.391 1.823 19732 8074 1 15 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.055 2.226 19732 8075 1 15 . 1 1 88 88 LEU CB C 88 41.080 41.080 40.685 0.395 19732 8076 1 15 . 1 1 88 88 LEU H H 88 8.271 8.271 7.891 0.380 19732 8077 1 15 . 1 1 91 91 GLU N N 91 121.224 121.224 119.246 1.978 19732 8078 1 15 . 1 1 91 91 GLU HA H 91 3.537 3.537 3.837 -0.300 19732 8079 1 15 . 1 1 91 91 GLU C C 91 176.926 176.926 177.278 -0.352 19732 8080 1 15 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.641 1.438 19732 8081 1 15 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.584 -0.099 19732 8082 1 15 . 1 1 91 91 GLU H H 91 7.775 7.775 8.668 -0.893 19732 8083 1 15 . 1 1 92 92 ILE N N 92 115.836 115.836 118.095 -2.259 19732 8084 1 15 . 1 1 92 92 ILE HA H 92 3.910 3.910 3.956 -0.046 19732 8085 1 15 . 1 1 92 92 ILE C C 92 177.704 177.704 176.019 1.685 19732 8086 1 15 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.419 1.611 19732 8087 1 15 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.855 -0.404 19732 8088 1 15 . 1 1 92 92 ILE H H 92 8.259 8.259 8.285 -0.026 19732 8089 1 15 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.507 -0.390 19732 8090 1 15 . 1 1 93 93 PRO C C 93 178.653 178.653 177.956 0.697 19732 8091 1 15 . 1 1 93 93 PRO CA C 93 66.003 66.003 65.763 0.240 19732 8092 1 15 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.416 -0.280 19732 8093 1 15 . 1 1 94 94 LEU N N 94 114.952 114.952 115.359 -0.407 19732 8094 1 15 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.171 -0.045 19732 8095 1 15 . 1 1 94 94 LEU C C 94 180.119 180.119 179.221 0.898 19732 8096 1 15 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.305 0.480 19732 8097 1 15 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.462 1.298 19732 8098 1 15 . 1 1 94 94 LEU H H 94 7.657 7.657 7.826 -0.169 19732 8099 1 15 . 1 1 95 95 VAL N N 95 119.986 119.986 120.583 -0.597 19732 8100 1 15 . 1 1 95 95 VAL HA H 95 4.008 4.008 3.894 0.114 19732 8101 1 15 . 1 1 95 95 VAL C C 95 177.559 177.559 177.105 0.454 19732 8102 1 15 . 1 1 95 95 VAL CA C 95 66.666 66.666 65.180 1.486 19732 8103 1 15 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.614 0.100 19732 8104 1 15 . 1 1 95 95 VAL H H 95 8.873 8.873 8.290 0.583 19732 8105 1 15 . 1 1 96 96 SER N N 96 111.863 111.863 115.282 -3.419 19732 8106 1 15 . 1 1 96 96 SER HA H 96 4.598 4.598 3.503 1.095 19732 8107 1 15 . 1 1 96 96 SER C C 96 175.113 175.113 175.679 -0.566 19732 8108 1 15 . 1 1 96 96 SER CA C 96 59.163 59.163 60.519 -1.356 19732 8109 1 15 . 1 1 96 96 SER CB C 96 63.552 63.552 62.553 0.999 19732 8110 1 15 . 1 1 96 96 SER H H 96 7.823 7.823 8.353 -0.530 19732 8111 1 15 . 1 1 97 97 ILE N N 97 120.300 120.300 121.900 -1.600 19732 8112 1 15 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.897 -0.078 19732 8113 1 15 . 1 1 97 97 ILE C C 97 174.601 174.601 176.091 -1.490 19732 8114 1 15 . 1 1 97 97 ILE CA C 97 63.804 63.804 61.992 1.812 19732 8115 1 15 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.013 1.046 19732 8116 1 15 . 1 1 97 97 ILE H H 97 7.014 7.014 7.040 -0.027 19732 8117 1 15 . 1 1 98 98 TRP N N 98 120.222 120.222 115.935 4.287 19732 8118 1 15 . 1 1 98 98 TRP HA H 98 4.062 4.062 3.688 0.374 19732 8119 1 15 . 1 1 98 98 TRP C C 98 176.502 176.502 176.035 0.467 19732 8120 1 15 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.066 2.724 19732 8121 1 15 . 1 1 98 98 TRP CB C 98 28.963 28.963 27.832 1.131 19732 8122 1 15 . 1 1 98 98 TRP H H 98 7.651 7.651 6.844 0.807 19732 8123 1 15 . 1 1 99 99 GLY N N 99 109.003 109.003 106.906 2.097 19732 8124 1 15 . 1 1 99 99 GLY C C 99 170.846 170.846 173.084 -2.238 19732 8125 1 15 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.061 0.576 19732 8126 1 15 . 1 1 99 99 GLY H H 99 7.240 7.240 7.545 -0.305 19732 8127 1 15 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.981 -0.682 19732 8128 1 15 . 1 1 100 100 PRO C C 100 176.200 176.200 175.833 0.367 19732 8129 1 15 . 1 1 100 100 PRO CA C 100 63.004 63.004 61.848 1.156 19732 8130 1 15 . 1 1 100 100 PRO CB C 100 31.808 31.808 30.297 1.511 19732 8131 1 16 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.593 -0.183 19732 8132 1 16 . 1 1 2 2 PRO C C 2 176.929 176.929 176.469 0.460 19732 8133 1 16 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.803 0.338 19732 8134 1 16 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.030 0.204 19732 8135 1 16 . 1 1 3 3 LEU N N 3 121.746 121.746 123.859 -2.113 19732 8136 1 16 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.558 -0.281 19732 8137 1 16 . 1 1 3 3 LEU C C 3 177.789 177.789 177.722 0.067 19732 8138 1 16 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.309 1.058 19732 8139 1 16 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.329 -0.172 19732 8140 1 16 . 1 1 3 3 LEU H H 3 8.420 8.420 8.679 -0.259 19732 8141 1 16 . 1 1 4 4 GLY N N 4 109.400 109.400 107.976 1.424 19732 8142 1 16 . 1 1 4 4 GLY C C 4 174.208 174.208 173.523 0.685 19732 8143 1 16 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.394 0.862 19732 8144 1 16 . 1 1 4 4 GLY H H 4 8.326 8.326 7.967 0.359 19732 8145 1 16 . 1 1 5 5 SER N N 5 115.339 115.339 116.732 -1.393 19732 8146 1 16 . 1 1 5 5 SER HA H 5 4.363 4.363 4.201 0.162 19732 8147 1 16 . 1 1 5 5 SER C C 5 174.549 174.549 174.722 -0.173 19732 8148 1 16 . 1 1 5 5 SER CA C 5 58.443 58.443 58.357 0.086 19732 8149 1 16 . 1 1 5 5 SER CB C 5 63.773 63.773 63.578 0.195 19732 8150 1 16 . 1 1 5 5 SER H H 5 8.098 8.098 8.037 0.061 19732 8151 1 16 . 1 1 6 6 MET N N 6 121.404 121.404 120.181 1.223 19732 8152 1 16 . 1 1 6 6 MET HA H 6 4.427 4.427 4.548 -0.121 19732 8153 1 16 . 1 1 6 6 MET C C 6 175.724 175.724 176.132 -0.408 19732 8154 1 16 . 1 1 6 6 MET CA C 6 55.612 55.612 56.875 -1.263 19732 8155 1 16 . 1 1 6 6 MET CB C 6 32.874 32.874 32.890 -0.016 19732 8156 1 16 . 1 1 6 6 MET H H 6 8.326 8.326 8.566 -0.240 19732 8157 1 16 . 1 1 7 7 ASP N N 7 120.769 120.769 118.675 2.094 19732 8158 1 16 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.679 -0.162 19732 8159 1 16 . 1 1 7 7 ASP C C 7 176.111 176.111 176.274 -0.163 19732 8160 1 16 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.727 -0.591 19732 8161 1 16 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.762 1.523 19732 8162 1 16 . 1 1 7 7 ASP H H 7 8.114 8.114 8.638 -0.524 19732 8163 1 16 . 1 1 8 8 ALA N N 8 123.543 123.543 121.461 2.082 19732 8164 1 16 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.194 -0.135 19732 8165 1 16 . 1 1 8 8 ALA C C 8 178.788 178.788 178.720 0.068 19732 8166 1 16 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.085 -0.154 19732 8167 1 16 . 1 1 8 8 ALA CB C 8 18.927 18.927 19.241 -0.314 19732 8168 1 16 . 1 1 8 8 ALA H H 8 8.248 8.248 7.622 0.626 19732 8169 1 16 . 1 1 9 9 GLU N N 9 118.034 118.034 117.825 0.209 19732 8170 1 16 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.971 0.155 19732 8171 1 16 . 1 1 9 9 GLU C C 9 177.485 177.485 178.359 -0.874 19732 8172 1 16 . 1 1 9 9 GLU CA C 9 57.840 57.840 58.835 -0.995 19732 8173 1 16 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.332 1.270 19732 8174 1 16 . 1 1 9 9 GLU H H 9 8.255 8.255 7.862 0.393 19732 8175 1 16 . 1 1 10 10 SER N N 10 115.260 115.260 115.229 0.031 19732 8176 1 16 . 1 1 10 10 SER HA H 10 4.232 4.232 4.192 0.040 19732 8177 1 16 . 1 1 10 10 SER C C 10 175.552 175.552 176.237 -0.685 19732 8178 1 16 . 1 1 10 10 SER CA C 10 60.015 60.015 61.272 -1.257 19732 8179 1 16 . 1 1 10 10 SER CB C 10 63.225 63.225 62.599 0.626 19732 8180 1 16 . 1 1 10 10 SER H H 10 7.992 7.992 7.824 0.168 19732 8181 1 16 . 1 1 11 11 ILE N N 11 121.199 121.199 120.231 0.968 19732 8182 1 16 . 1 1 11 11 ILE HA H 11 3.890 3.890 3.935 -0.045 19732 8183 1 16 . 1 1 11 11 ILE C C 11 176.411 176.411 177.478 -1.067 19732 8184 1 16 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.153 -0.403 19732 8185 1 16 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.059 0.214 19732 8186 1 16 . 1 1 11 11 ILE H H 11 7.729 7.729 7.479 0.250 19732 8187 1 16 . 1 1 12 12 ARG N N 12 121.248 121.248 117.214 4.034 19732 8188 1 16 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.344 -0.231 19732 8189 1 16 . 1 1 12 12 ARG C C 12 176.970 176.970 176.146 0.824 19732 8190 1 16 . 1 1 12 12 ARG CA C 12 57.077 57.077 55.013 2.064 19732 8191 1 16 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.693 -0.197 19732 8192 1 16 . 1 1 12 12 ARG H H 12 7.853 7.853 7.539 0.314 19732 8193 1 16 . 1 1 13 13 LEU N N 13 120.701 120.701 118.139 2.562 19732 8194 1 16 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.999 0.219 19732 8195 1 16 . 1 1 13 13 LEU C C 13 177.620 177.620 175.755 1.865 19732 8196 1 16 . 1 1 13 13 LEU CA C 13 55.297 55.297 54.860 0.437 19732 8197 1 16 . 1 1 13 13 LEU CB C 13 42.174 42.174 41.800 0.374 19732 8198 1 16 . 1 1 13 13 LEU H H 13 8.020 8.020 7.627 0.393 19732 8199 1 16 . 1 1 16 16 GLU N N 16 120.417 120.417 123.399 -2.982 19732 8200 1 16 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.011 0.114 19732 8201 1 16 . 1 1 16 16 GLU C C 16 178.929 178.929 178.208 0.721 19732 8202 1 16 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.647 -0.042 19732 8203 1 16 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.487 -0.096 19732 8204 1 16 . 1 1 16 16 GLU H H 16 8.465 8.465 8.949 -0.484 19732 8205 1 16 . 1 1 17 17 ASN N N 17 118.855 118.855 118.632 0.223 19732 8206 1 16 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.531 0.088 19732 8207 1 16 . 1 1 17 17 ASN C C 17 177.835 177.835 177.702 0.133 19732 8208 1 16 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.203 -0.665 19732 8209 1 16 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.754 -0.543 19732 8210 1 16 . 1 1 17 17 ASN H H 17 8.428 8.428 8.876 -0.448 19732 8211 1 16 . 1 1 18 18 LEU N N 18 123.972 123.972 120.001 3.971 19732 8212 1 16 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.304 -0.084 19732 8213 1 16 . 1 1 18 18 LEU C C 18 178.248 178.248 178.935 -0.687 19732 8214 1 16 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.863 0.022 19732 8215 1 16 . 1 1 18 18 LEU CB C 18 41.697 41.697 40.669 1.028 19732 8216 1 16 . 1 1 18 18 LEU H H 18 8.208 8.208 7.921 0.287 19732 8217 1 16 . 1 1 19 19 TRP N N 19 119.362 119.362 121.643 -2.281 19732 8218 1 16 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.290 -0.124 19732 8219 1 16 . 1 1 19 19 TRP C C 19 177.617 177.617 177.564 0.053 19732 8220 1 16 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.650 0.246 19732 8221 1 16 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.924 -0.497 19732 8222 1 16 . 1 1 19 19 TRP H H 19 8.316 8.316 7.646 0.670 19732 8223 1 16 . 1 1 20 20 ALA N N 20 118.581 118.581 121.509 -2.928 19732 8224 1 16 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.999 0.051 19732 8225 1 16 . 1 1 20 20 ALA C C 20 180.422 180.422 179.369 1.053 19732 8226 1 16 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.191 -0.027 19732 8227 1 16 . 1 1 20 20 ALA CB C 20 18.040 18.040 18.020 0.020 19732 8228 1 16 . 1 1 20 20 ALA H H 20 7.957 7.957 8.796 -0.839 19732 8229 1 16 . 1 1 21 21 TRP N N 21 119.753 119.753 120.949 -1.196 19732 8230 1 16 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.285 -0.392 19732 8231 1 16 . 1 1 21 21 TRP C C 21 177.494 177.494 177.640 -0.146 19732 8232 1 16 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.804 2.293 19732 8233 1 16 . 1 1 21 21 TRP CB C 21 28.643 28.643 30.039 -1.396 19732 8234 1 16 . 1 1 21 21 TRP H H 21 8.043 8.043 8.461 -0.418 19732 8235 1 16 . 1 1 22 22 LEU N N 22 122.136 122.136 120.799 1.337 19732 8236 1 16 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.519 -0.080 19732 8237 1 16 . 1 1 22 22 LEU C C 22 178.075 178.075 178.437 -0.362 19732 8238 1 16 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.050 -0.295 19732 8239 1 16 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.560 0.410 19732 8240 1 16 . 1 1 22 22 LEU H H 22 8.553 8.553 8.247 0.306 19732 8241 1 16 . 1 1 23 23 VAL N N 23 118.034 118.034 118.490 -0.456 19732 8242 1 16 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.309 0.004 19732 8243 1 16 . 1 1 23 23 VAL C C 23 178.401 178.401 177.924 0.477 19732 8244 1 16 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.045 0.079 19732 8245 1 16 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.096 0.203 19732 8246 1 16 . 1 1 23 23 VAL H H 23 8.341 8.341 8.166 0.174 19732 8247 1 16 . 1 1 24 24 ARG N N 24 120.377 120.377 119.211 1.166 19732 8248 1 16 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.926 -0.112 19732 8249 1 16 . 1 1 24 24 ARG C C 24 179.205 179.205 178.545 0.660 19732 8250 1 16 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.451 0.653 19732 8251 1 16 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.290 -0.254 19732 8252 1 16 . 1 1 24 24 ARG H H 24 7.856 7.856 7.686 0.170 19732 8253 1 16 . 1 1 25 25 LEU N N 25 121.668 121.668 120.675 0.993 19732 8254 1 16 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.899 -0.236 19732 8255 1 16 . 1 1 25 25 LEU C C 25 179.943 179.943 179.260 0.683 19732 8256 1 16 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.370 0.678 19732 8257 1 16 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.911 0.117 19732 8258 1 16 . 1 1 25 25 LEU H H 25 7.838 7.838 7.760 0.078 19732 8259 1 16 . 1 1 26 26 LEU N N 26 118.308 118.308 118.174 0.134 19732 8260 1 16 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.041 -0.130 19732 8261 1 16 . 1 1 26 26 LEU C C 26 179.471 179.471 179.416 0.055 19732 8262 1 16 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.275 0.198 19732 8263 1 16 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.888 0.141 19732 8264 1 16 . 1 1 26 26 LEU H H 26 8.247 8.247 8.442 -0.195 19732 8265 1 16 . 1 1 27 27 SER N N 27 115.768 115.768 114.472 1.296 19732 8266 1 16 . 1 1 27 27 SER HA H 27 4.020 4.020 4.280 -0.260 19732 8267 1 16 . 1 1 27 27 SER C C 27 174.990 174.990 175.401 -0.411 19732 8268 1 16 . 1 1 27 27 SER CA C 27 61.755 61.755 60.579 1.176 19732 8269 1 16 . 1 1 27 27 SER CB C 27 62.755 62.755 62.792 -0.037 19732 8270 1 16 . 1 1 27 27 SER H H 27 8.436 8.436 8.253 0.183 19732 8271 1 16 . 1 1 28 28 LYS N N 28 117.644 117.644 118.688 -1.044 19732 8272 1 16 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.301 0.013 19732 8273 1 16 . 1 1 28 28 LYS C C 28 175.979 175.979 176.239 -0.260 19732 8274 1 16 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.519 -0.332 19732 8275 1 16 . 1 1 28 28 LYS CB C 28 32.791 32.791 33.182 -0.391 19732 8276 1 16 . 1 1 28 28 LYS H H 28 7.014 7.014 7.377 -0.363 19732 8277 1 16 . 1 1 29 29 ASN N N 29 118.347 118.347 117.528 0.819 19732 8278 1 16 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.268 0.014 19732 8279 1 16 . 1 1 29 29 ASN C C 29 171.835 171.835 173.448 -1.613 19732 8280 1 16 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.460 0.865 19732 8281 1 16 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.722 1.903 19732 8282 1 16 . 1 1 29 29 ASN H H 29 7.611 7.611 7.731 -0.120 19732 8283 1 16 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.477 -0.026 19732 8284 1 16 . 1 1 30 30 PRO C C 30 179.560 179.560 178.418 1.142 19732 8285 1 16 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.048 0.821 19732 8286 1 16 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.978 -0.576 19732 8287 1 16 . 1 1 31 31 GLU N N 31 119.636 119.636 118.322 1.314 19732 8288 1 16 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.161 -0.035 19732 8289 1 16 . 1 1 31 31 GLU C C 31 179.253 179.253 178.744 0.509 19732 8290 1 16 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.583 0.089 19732 8291 1 16 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.355 -0.990 19732 8292 1 16 . 1 1 31 31 GLU H H 31 8.593 8.593 8.846 -0.253 19732 8293 1 16 . 1 1 32 32 TRP N N 32 122.293 122.293 121.658 0.635 19732 8294 1 16 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.436 -0.403 19732 8295 1 16 . 1 1 32 32 TRP C C 32 178.055 178.055 177.962 0.093 19732 8296 1 16 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.199 1.657 19732 8297 1 16 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.787 -0.671 19732 8298 1 16 . 1 1 32 32 TRP H H 32 7.933 7.933 7.373 0.560 19732 8299 1 16 . 1 1 33 33 LEU N N 33 117.409 117.409 121.110 -3.701 19732 8300 1 16 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.576 0.314 19732 8301 1 16 . 1 1 33 33 LEU C C 33 177.934 177.934 178.664 -0.730 19732 8302 1 16 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.022 0.156 19732 8303 1 16 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.340 0.218 19732 8304 1 16 . 1 1 33 33 LEU H H 33 8.012 8.012 8.458 -0.446 19732 8305 1 16 . 1 1 34 34 SER N N 34 113.257 113.257 115.298 -2.041 19732 8306 1 16 . 1 1 34 34 SER HA H 34 3.975 3.975 4.040 -0.065 19732 8307 1 16 . 1 1 34 34 SER C C 34 176.363 176.363 176.628 -0.265 19732 8308 1 16 . 1 1 34 34 SER CA C 34 62.194 62.194 61.819 0.375 19732 8309 1 16 . 1 1 34 34 SER CB C 34 62.739 62.739 62.471 0.268 19732 8310 1 16 . 1 1 34 34 SER H H 34 8.335 8.335 8.297 0.038 19732 8311 1 16 . 1 1 35 35 ALA N N 35 121.511 121.511 124.753 -3.242 19732 8312 1 16 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.944 0.013 19732 8313 1 16 . 1 1 35 35 ALA C C 35 180.728 180.728 179.745 0.983 19732 8314 1 16 . 1 1 35 35 ALA CA C 35 54.889 54.889 55.003 -0.114 19732 8315 1 16 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.120 -0.345 19732 8316 1 16 . 1 1 35 35 ALA H H 35 7.391 7.391 7.536 -0.145 19732 8317 1 16 . 1 1 36 36 LYS N N 36 118.386 118.386 117.624 0.762 19732 8318 1 16 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.016 -0.182 19732 8319 1 16 . 1 1 36 36 LYS C C 36 179.578 179.578 179.219 0.359 19732 8320 1 16 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.606 -1.009 19732 8321 1 16 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.809 -1.326 19732 8322 1 16 . 1 1 36 36 LYS H H 36 7.823 7.823 7.282 0.541 19732 8323 1 16 . 1 1 37 37 LEU N N 37 119.480 119.480 120.019 -0.539 19732 8324 1 16 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.026 -0.136 19732 8325 1 16 . 1 1 37 37 LEU C C 37 178.529 178.529 178.686 -0.157 19732 8326 1 16 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.455 0.192 19732 8327 1 16 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.376 -0.228 19732 8328 1 16 . 1 1 37 37 LEU H H 37 8.725 8.725 8.444 0.281 19732 8329 1 16 . 1 1 38 38 ARG N N 38 115.612 115.612 118.562 -2.950 19732 8330 1 16 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.054 -0.057 19732 8331 1 16 . 1 1 38 38 ARG C C 38 177.661 177.661 178.532 -0.871 19732 8332 1 16 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.402 -0.890 19732 8333 1 16 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.994 -0.059 19732 8334 1 16 . 1 1 38 38 ARG H H 38 7.446 7.446 7.955 -0.509 19732 8335 1 16 . 1 1 39 39 SER N N 39 111.883 111.883 113.957 -2.074 19732 8336 1 16 . 1 1 39 39 SER HA H 39 4.160 4.160 4.123 0.036 19732 8337 1 16 . 1 1 39 39 SER C C 39 175.401 175.401 174.908 0.493 19732 8338 1 16 . 1 1 39 39 SER CA C 39 60.359 60.359 60.820 -0.461 19732 8339 1 16 . 1 1 39 39 SER CB C 39 63.228 63.228 62.355 0.873 19732 8340 1 16 . 1 1 39 39 SER H H 39 7.353 7.353 7.463 -0.110 19732 8341 1 16 . 1 1 40 40 PHE N N 40 117.136 117.136 118.299 -1.163 19732 8342 1 16 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.461 0.153 19732 8343 1 16 . 1 1 40 40 PHE C C 40 175.852 175.852 175.730 0.122 19732 8344 1 16 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.698 0.012 19732 8345 1 16 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.940 1.754 19732 8346 1 16 . 1 1 40 40 PHE H H 40 7.792 7.792 7.219 0.573 19732 8347 1 16 . 1 1 41 41 LEU N N 41 119.050 119.050 119.424 -0.374 19732 8348 1 16 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.780 0.097 19732 8349 1 16 . 1 1 41 41 LEU C C 41 174.510 174.510 175.907 -1.397 19732 8350 1 16 . 1 1 41 41 LEU CA C 41 52.092 52.092 51.150 0.942 19732 8351 1 16 . 1 1 41 41 LEU CB C 41 42.037 42.037 40.775 1.262 19732 8352 1 16 . 1 1 41 41 LEU H H 41 8.114 8.114 8.335 -0.221 19732 8353 1 16 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.488 -0.186 19732 8354 1 16 . 1 1 42 42 PRO C C 42 177.620 177.620 176.866 0.754 19732 8355 1 16 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.291 -0.520 19732 8356 1 16 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.317 -0.636 19732 8357 1 16 . 1 1 43 43 THR N N 43 109.752 109.752 108.414 1.338 19732 8358 1 16 . 1 1 43 43 THR HA H 43 4.256 4.256 4.455 -0.199 19732 8359 1 16 . 1 1 43 43 THR C C 43 174.467 174.467 174.559 -0.092 19732 8360 1 16 . 1 1 43 43 THR CA C 43 61.657 61.657 59.835 1.822 19732 8361 1 16 . 1 1 43 43 THR CB C 43 69.450 69.450 68.117 1.333 19732 8362 1 16 . 1 1 43 43 THR H H 43 7.671 7.671 7.638 0.033 19732 8363 1 16 . 1 1 44 44 MET N N 44 121.568 121.568 123.407 -1.839 19732 8364 1 16 . 1 1 44 44 MET HA H 44 4.363 4.363 4.273 0.090 19732 8365 1 16 . 1 1 44 44 MET C C 44 175.373 175.373 176.325 -0.952 19732 8366 1 16 . 1 1 44 44 MET CA C 44 55.710 55.710 56.126 -0.416 19732 8367 1 16 . 1 1 44 44 MET CB C 44 32.989 32.989 32.538 0.451 19732 8368 1 16 . 1 1 44 44 MET H H 44 8.037 8.037 7.705 0.332 19732 8369 1 16 . 1 1 45 45 ASP N N 45 121.980 121.980 127.224 -5.244 19732 8370 1 16 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.786 -0.265 19732 8371 1 16 . 1 1 45 45 ASP C C 45 176.022 176.022 176.134 -0.112 19732 8372 1 16 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.416 0.955 19732 8373 1 16 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.076 1.071 19732 8374 1 16 . 1 1 45 45 ASP H H 45 8.230 8.230 8.632 -0.402 19732 8375 1 16 . 1 1 46 46 LEU N N 46 122.192 122.192 119.858 2.334 19732 8376 1 16 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.445 -0.301 19732 8377 1 16 . 1 1 46 46 LEU C C 46 177.018 177.018 177.216 -0.198 19732 8378 1 16 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.951 -0.038 19732 8379 1 16 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.163 0.013 19732 8380 1 16 . 1 1 46 46 LEU H H 46 8.028 8.028 7.628 0.400 19732 8381 1 16 . 1 1 47 47 ASP N N 47 120.573 120.573 119.012 1.561 19732 8382 1 16 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.388 0.137 19732 8383 1 16 . 1 1 47 47 ASP C C 47 176.370 176.370 176.135 0.235 19732 8384 1 16 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.492 -1.284 19732 8385 1 16 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.524 0.630 19732 8386 1 16 . 1 1 47 47 ASP H H 47 8.238 8.238 8.450 -0.212 19732 8387 1 16 . 1 1 48 48 CYS N N 48 118.464 118.464 120.752 -2.288 19732 8388 1 16 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.404 0.025 19732 8389 1 16 . 1 1 48 48 CYS C C 48 174.340 174.340 174.105 0.235 19732 8390 1 16 . 1 1 48 48 CYS CA C 48 58.513 58.513 59.378 -0.865 19732 8391 1 16 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.169 0.784 19732 8392 1 16 . 1 1 48 48 CYS H H 48 8.068 8.068 7.649 0.419 19732 8393 1 16 . 1 1 49 49 SER N N 49 116.784 116.784 122.311 -5.527 19732 8394 1 16 . 1 1 49 49 SER HA H 49 4.302 4.302 4.369 -0.067 19732 8395 1 16 . 1 1 49 49 SER C C 49 173.897 173.897 174.387 -0.490 19732 8396 1 16 . 1 1 49 49 SER CA C 49 58.718 58.718 56.830 1.888 19732 8397 1 16 . 1 1 49 49 SER CB C 49 63.636 63.636 62.225 1.411 19732 8398 1 16 . 1 1 49 49 SER H H 49 8.185 8.185 8.104 0.081 19732 8399 1 16 . 1 1 50 50 TYR N N 50 120.886 120.886 121.978 -1.092 19732 8400 1 16 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.341 0.171 19732 8401 1 16 . 1 1 50 50 TYR C C 50 174.818 174.818 176.129 -1.311 19732 8402 1 16 . 1 1 50 50 TYR CA C 50 57.486 57.486 59.326 -1.840 19732 8403 1 16 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.053 0.743 19732 8404 1 16 . 1 1 50 50 TYR H H 50 7.776 7.776 7.363 0.413 19732 8405 1 16 . 1 1 51 51 GLU N N 51 122.800 122.800 119.365 3.435 19732 8406 1 16 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.701 -0.146 19732 8407 1 16 . 1 1 51 51 GLU C C 51 174.508 174.508 174.806 -0.298 19732 8408 1 16 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.825 0.103 19732 8409 1 16 . 1 1 51 51 GLU CB C 51 30.225 30.225 30.077 0.148 19732 8410 1 16 . 1 1 51 51 GLU H H 51 8.026 8.026 8.142 -0.116 19732 8411 1 16 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.433 -0.131 19732 8412 1 16 . 1 1 52 52 PRO C C 52 176.065 176.065 177.528 -1.463 19732 8413 1 16 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.862 0.822 19732 8414 1 16 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.231 -0.668 19732 8415 1 16 . 1 1 53 53 SER N N 53 110.611 110.611 114.927 -4.316 19732 8416 1 16 . 1 1 53 53 SER HA H 53 4.302 4.302 4.338 -0.036 19732 8417 1 16 . 1 1 53 53 SER C C 53 173.858 173.858 173.829 0.029 19732 8418 1 16 . 1 1 53 53 SER CA C 53 58.508 58.508 58.754 -0.246 19732 8419 1 16 . 1 1 53 53 SER CB C 53 63.636 63.636 60.899 2.737 19732 8420 1 16 . 1 1 53 53 SER H H 53 7.934 7.934 8.534 -0.600 19732 8421 1 16 . 1 1 54 54 ASN N N 54 121.155 121.155 122.606 -1.451 19732 8422 1 16 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.851 0.027 19732 8423 1 16 . 1 1 54 54 ASN C C 54 174.167 174.167 174.798 -0.631 19732 8424 1 16 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.314 -0.843 19732 8425 1 16 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.173 0.831 19732 8426 1 16 . 1 1 54 54 ASN H H 54 7.666 7.666 8.000 -0.334 19732 8427 1 16 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.291 -0.262 19732 8428 1 16 . 1 1 55 55 PRO C C 55 177.787 177.787 178.616 -0.829 19732 8429 1 16 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.733 -0.147 19732 8430 1 16 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.039 0.324 19732 8431 1 16 . 1 1 56 56 GLU N N 56 117.292 117.292 118.539 -1.247 19732 8432 1 16 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.237 -0.167 19732 8433 1 16 . 1 1 56 56 GLU C C 56 179.258 179.258 179.264 -0.006 19732 8434 1 16 . 1 1 56 56 GLU CA C 56 59.472 59.472 60.162 -0.690 19732 8435 1 16 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.856 0.268 19732 8436 1 16 . 1 1 56 56 GLU H H 56 8.153 8.153 9.101 -0.948 19732 8437 1 16 . 1 1 57 57 VAL N N 57 120.730 120.730 120.006 0.724 19732 8438 1 16 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.839 -0.271 19732 8439 1 16 . 1 1 57 57 VAL C C 57 178.039 178.039 177.879 0.160 19732 8440 1 16 . 1 1 57 57 VAL CA C 57 65.965 65.965 65.718 0.247 19732 8441 1 16 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.764 0.221 19732 8442 1 16 . 1 1 57 57 VAL H H 57 7.556 7.556 7.305 0.251 19732 8443 1 16 . 1 1 58 58 ILE N N 58 119.892 119.892 120.488 -0.596 19732 8444 1 16 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.704 0.006 19732 8445 1 16 . 1 1 58 58 ILE C C 58 178.096 178.096 177.798 0.298 19732 8446 1 16 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.087 1.125 19732 8447 1 16 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.277 1.041 19732 8448 1 16 . 1 1 58 58 ILE H H 58 7.784 7.784 8.405 -0.621 19732 8449 1 16 . 1 1 59 59 HIS N N 59 117.644 117.644 120.457 -2.813 19732 8450 1 16 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.435 -0.288 19732 8451 1 16 . 1 1 59 59 HIS C C 59 177.576 177.576 177.586 -0.010 19732 8452 1 16 . 1 1 59 59 HIS CA C 59 60.495 60.495 61.034 -0.539 19732 8453 1 16 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.686 -0.407 19732 8454 1 16 . 1 1 59 59 HIS H H 59 8.350 8.350 8.806 -0.456 19732 8455 1 16 . 1 1 60 60 ARG N N 60 118.248 118.248 119.723 -1.475 19732 8456 1 16 . 1 1 60 60 ARG HA H 60 4.046 4.046 4.046 0.000 19732 8457 1 16 . 1 1 60 60 ARG C C 60 179.642 179.642 178.957 0.685 19732 8458 1 16 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.298 0.647 19732 8459 1 16 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.649 0.658 19732 8460 1 16 . 1 1 60 60 ARG H H 60 7.776 7.776 8.180 -0.404 19732 8461 1 16 . 1 1 61 61 GLN N N 61 119.475 119.475 118.454 1.021 19732 8462 1 16 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.082 -0.016 19732 8463 1 16 . 1 1 61 61 GLN C C 61 178.650 178.650 178.724 -0.074 19732 8464 1 16 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.621 0.404 19732 8465 1 16 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.761 -0.609 19732 8466 1 16 . 1 1 61 61 GLN H H 61 8.460 8.460 7.527 0.933 19732 8467 1 16 . 1 1 62 62 LEU N N 62 117.882 117.882 120.277 -2.395 19732 8468 1 16 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.072 0.056 19732 8469 1 16 . 1 1 62 62 LEU C C 62 179.260 179.260 179.421 -0.161 19732 8470 1 16 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.961 1.034 19732 8471 1 16 . 1 1 62 62 LEU CB C 62 41.631 41.631 40.909 0.722 19732 8472 1 16 . 1 1 62 62 LEU H H 62 8.742 8.742 8.677 0.065 19732 8473 1 16 . 1 1 63 63 ASN N N 63 117.409 117.409 118.681 -1.272 19732 8474 1 16 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.301 -0.071 19732 8475 1 16 . 1 1 63 63 ASN C C 63 178.050 178.050 177.293 0.757 19732 8476 1 16 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.140 0.525 19732 8477 1 16 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.273 0.405 19732 8478 1 16 . 1 1 63 63 ASN H H 63 8.279 8.279 8.631 -0.352 19732 8479 1 16 . 1 1 64 64 ARG N N 64 119.753 119.753 119.141 0.612 19732 8480 1 16 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.095 -0.053 19732 8481 1 16 . 1 1 64 64 ARG C C 64 178.914 178.914 178.704 0.210 19732 8482 1 16 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.293 0.567 19732 8483 1 16 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.843 -0.075 19732 8484 1 16 . 1 1 64 64 ARG H H 64 7.784 7.784 7.673 0.111 19732 8485 1 16 . 1 1 65 65 LEU N N 65 120.009 120.009 119.130 0.879 19732 8486 1 16 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.000 -0.061 19732 8487 1 16 . 1 1 65 65 LEU C C 65 178.481 178.481 178.615 -0.134 19732 8488 1 16 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.551 0.756 19732 8489 1 16 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.548 0.909 19732 8490 1 16 . 1 1 65 65 LEU H H 65 7.779 7.779 7.948 -0.169 19732 8491 1 16 . 1 1 66 66 PHE N N 66 118.503 118.503 119.899 -1.396 19732 8492 1 16 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.463 -0.488 19732 8493 1 16 . 1 1 66 66 PHE C C 66 178.269 178.269 176.212 2.057 19732 8494 1 16 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.544 1.293 19732 8495 1 16 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.029 -0.278 19732 8496 1 16 . 1 1 66 66 PHE H H 66 8.287 8.287 7.724 0.563 19732 8497 1 16 . 1 1 67 67 ALA N N 67 119.206 119.206 120.678 -1.472 19732 8498 1 16 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.906 -0.007 19732 8499 1 16 . 1 1 67 67 ALA C C 67 178.876 178.876 179.382 -0.506 19732 8500 1 16 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.971 -0.313 19732 8501 1 16 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.573 -0.532 19732 8502 1 16 . 1 1 67 67 ALA H H 67 7.902 7.902 7.509 0.393 19732 8503 1 16 . 1 1 68 68 GLN N N 68 115.534 115.534 116.972 -1.438 19732 8504 1 16 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.222 -0.107 19732 8505 1 16 . 1 1 68 68 GLN C C 68 177.274 177.274 177.040 0.234 19732 8506 1 16 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.281 0.115 19732 8507 1 16 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.794 -0.953 19732 8508 1 16 . 1 1 68 68 GLN H H 68 7.572 7.572 7.742 -0.170 19732 8509 1 16 . 1 1 69 69 GLY N N 69 106.861 106.861 104.918 1.943 19732 8510 1 16 . 1 1 69 69 GLY C C 69 173.690 173.690 173.450 0.240 19732 8511 1 16 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.280 -1.393 19732 8512 1 16 . 1 1 69 69 GLY H H 69 7.486 7.486 7.965 -0.479 19732 8513 1 16 . 1 1 70 70 MET N N 70 119.355 119.355 120.134 -0.779 19732 8514 1 16 . 1 1 70 70 MET HA H 70 4.117 4.117 4.266 -0.149 19732 8515 1 16 . 1 1 70 70 MET C C 70 177.743 177.743 177.048 0.695 19732 8516 1 16 . 1 1 70 70 MET CA C 70 57.396 57.396 58.877 -1.481 19732 8517 1 16 . 1 1 70 70 MET CB C 70 30.638 30.638 32.268 -1.630 19732 8518 1 16 . 1 1 70 70 MET H H 70 8.245 8.245 8.477 -0.232 19732 8519 1 16 . 1 1 71 71 ALA N N 71 120.691 120.691 123.986 -3.295 19732 8520 1 16 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.244 -0.181 19732 8521 1 16 . 1 1 71 71 ALA C C 71 181.027 181.027 179.596 1.431 19732 8522 1 16 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.796 0.846 19732 8523 1 16 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.761 -0.196 19732 8524 1 16 . 1 1 71 71 ALA H H 71 8.624 8.624 8.317 0.307 19732 8525 1 16 . 1 1 72 72 THR N N 72 116.354 116.354 115.238 1.116 19732 8526 1 16 . 1 1 72 72 THR HA H 72 3.825 3.825 4.065 -0.240 19732 8527 1 16 . 1 1 72 72 THR C C 72 174.861 174.861 176.255 -1.394 19732 8528 1 16 . 1 1 72 72 THR CA C 72 66.992 66.992 66.475 0.517 19732 8529 1 16 . 1 1 72 72 THR CB C 72 68.355 68.355 68.690 -0.335 19732 8530 1 16 . 1 1 72 72 THR H H 72 7.525 7.525 7.841 -0.316 19732 8531 1 16 . 1 1 73 73 TRP N N 73 122.292 122.292 122.703 -0.411 19732 8532 1 16 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.348 -0.017 19732 8533 1 16 . 1 1 73 73 TRP C C 73 176.757 176.757 177.475 -0.718 19732 8534 1 16 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.733 -0.174 19732 8535 1 16 . 1 1 73 73 TRP CB C 73 30.356 30.356 30.138 0.218 19732 8536 1 16 . 1 1 73 73 TRP H H 73 8.090 8.090 8.547 -0.457 19732 8537 1 16 . 1 1 74 74 LYS N N 74 115.768 115.768 119.973 -4.205 19732 8538 1 16 . 1 1 74 74 LYS HA H 74 3.739 3.739 4.043 -0.304 19732 8539 1 16 . 1 1 74 74 LYS C C 74 178.957 178.957 178.927 0.030 19732 8540 1 16 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.248 0.185 19732 8541 1 16 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.378 -0.056 19732 8542 1 16 . 1 1 74 74 LYS H H 74 9.001 9.001 8.200 0.801 19732 8543 1 16 . 1 1 75 75 SER N N 75 115.378 115.378 115.672 -0.294 19732 8544 1 16 . 1 1 75 75 SER HA H 75 4.211 4.211 4.322 -0.111 19732 8545 1 16 . 1 1 75 75 SER C C 75 175.465 175.465 176.677 -1.212 19732 8546 1 16 . 1 1 75 75 SER CA C 75 61.999 61.999 61.536 0.463 19732 8547 1 16 . 1 1 75 75 SER CB C 75 63.160 63.160 62.909 0.251 19732 8548 1 16 . 1 1 75 75 SER H H 75 7.604 7.604 8.193 -0.589 19732 8549 1 16 . 1 1 76 76 PHE N N 76 121.707 121.707 124.228 -2.521 19732 8550 1 16 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.270 -0.254 19732 8551 1 16 . 1 1 76 76 PHE C C 76 175.983 175.983 176.953 -0.970 19732 8552 1 16 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.337 0.145 19732 8553 1 16 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.884 -0.605 19732 8554 1 16 . 1 1 76 76 PHE H H 76 8.200 8.200 8.123 0.077 19732 8555 1 16 . 1 1 77 77 ILE N N 77 117.448 117.448 118.302 -0.854 19732 8556 1 16 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.479 -0.148 19732 8557 1 16 . 1 1 77 77 ILE C C 77 177.919 177.919 178.366 -0.447 19732 8558 1 16 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.396 -2.902 19732 8559 1 16 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.265 -1.543 19732 8560 1 16 . 1 1 77 77 ILE H H 77 8.193 8.193 8.261 -0.068 19732 8561 1 16 . 1 1 78 78 ASN N N 78 119.831 119.831 119.920 -0.089 19732 8562 1 16 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.456 -0.238 19732 8563 1 16 . 1 1 78 78 ASN C C 78 177.228 177.228 177.821 -0.593 19732 8564 1 16 . 1 1 78 78 ASN CA C 78 57.791 57.791 57.038 0.753 19732 8565 1 16 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.258 1.046 19732 8566 1 16 . 1 1 78 78 ASN H H 78 8.224 8.224 7.847 0.377 19732 8567 1 16 . 1 1 79 79 ASP N N 79 119.402 119.402 120.634 -1.232 19732 8568 1 16 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.635 -0.146 19732 8569 1 16 . 1 1 79 79 ASP C C 79 177.600 177.600 178.230 -0.630 19732 8570 1 16 . 1 1 79 79 ASP CA C 79 57.575 57.575 56.816 0.759 19732 8571 1 16 . 1 1 79 79 ASP CB C 79 39.917 39.917 41.016 -1.099 19732 8572 1 16 . 1 1 79 79 ASP H H 79 8.028 8.028 7.841 0.187 19732 8573 1 16 . 1 1 80 80 LEU N N 80 122.293 122.293 122.162 0.131 19732 8574 1 16 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.681 -0.193 19732 8575 1 16 . 1 1 80 80 LEU C C 80 178.561 178.561 178.533 0.028 19732 8576 1 16 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.431 0.901 19732 8577 1 16 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.075 1.305 19732 8578 1 16 . 1 1 80 80 LEU H H 80 8.491 8.491 8.447 0.044 19732 8579 1 16 . 1 1 81 81 CYS N N 81 114.479 114.479 115.766 -1.287 19732 8580 1 16 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.051 -0.120 19732 8581 1 16 . 1 1 81 81 CYS C C 81 176.754 176.754 177.400 -0.646 19732 8582 1 16 . 1 1 81 81 CYS CA C 81 63.543 63.543 63.795 -0.252 19732 8583 1 16 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.136 -0.479 19732 8584 1 16 . 1 1 81 81 CYS H H 81 8.169 8.169 8.135 0.034 19732 8585 1 16 . 1 1 82 82 PHE N N 82 115.964 115.964 120.222 -4.258 19732 8586 1 16 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.222 0.100 19732 8587 1 16 . 1 1 82 82 PHE C C 82 178.485 178.485 176.954 1.531 19732 8588 1 16 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.039 -0.163 19732 8589 1 16 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.465 0.366 19732 8590 1 16 . 1 1 82 82 PHE H H 82 7.863 7.863 7.486 0.377 19732 8591 1 16 . 1 1 83 83 GLU N N 83 116.314 116.314 118.004 -1.690 19732 8592 1 16 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.127 -0.082 19732 8593 1 16 . 1 1 83 83 GLU C C 83 177.877 177.877 178.167 -0.290 19732 8594 1 16 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.426 0.319 19732 8595 1 16 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.238 0.039 19732 8596 1 16 . 1 1 83 83 GLU H H 83 9.049 9.049 8.632 0.417 19732 8597 1 16 . 1 1 84 84 LEU N N 84 116.042 116.042 118.239 -2.197 19732 8598 1 16 . 1 1 84 84 LEU HA H 84 4.237 4.237 3.905 0.332 19732 8599 1 16 . 1 1 84 84 LEU C C 84 175.868 175.868 177.233 -1.365 19732 8600 1 16 . 1 1 84 84 LEU CA C 84 53.657 53.657 55.644 -1.987 19732 8601 1 16 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.125 -2.021 19732 8602 1 16 . 1 1 84 84 LEU H H 84 7.713 7.713 7.722 -0.009 19732 8603 1 16 . 1 1 85 85 ASP N N 85 116.940 116.940 113.589 3.351 19732 8604 1 16 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.142 0.108 19732 8605 1 16 . 1 1 85 85 ASP C C 85 174.424 174.424 175.937 -1.513 19732 8606 1 16 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.880 -1.195 19732 8607 1 16 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.413 -0.593 19732 8608 1 16 . 1 1 85 85 ASP H H 85 7.164 7.164 7.623 -0.459 19732 8609 1 16 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.673 -0.267 19732 8610 1 16 . 1 1 87 87 PRO C C 87 177.572 177.572 176.064 1.508 19732 8611 1 16 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.522 0.637 19732 8612 1 16 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.567 0.692 19732 8613 1 16 . 1 1 88 88 LEU N N 88 122.410 122.410 126.056 -3.646 19732 8614 1 16 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.327 -0.396 19732 8615 1 16 . 1 1 88 88 LEU C C 88 179.214 179.214 178.466 0.748 19732 8616 1 16 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.588 1.693 19732 8617 1 16 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.637 -1.557 19732 8618 1 16 . 1 1 88 88 LEU H H 88 8.271 8.271 8.540 -0.269 19732 8619 1 16 . 1 1 91 91 GLU N N 91 121.224 121.224 123.789 -2.565 19732 8620 1 16 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.148 -0.611 19732 8621 1 16 . 1 1 91 91 GLU C C 91 176.926 176.926 177.307 -0.381 19732 8622 1 16 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.073 2.006 19732 8623 1 16 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.256 0.229 19732 8624 1 16 . 1 1 91 91 GLU H H 91 7.775 7.775 8.002 -0.227 19732 8625 1 16 . 1 1 92 92 ILE N N 92 115.836 115.836 120.973 -5.137 19732 8626 1 16 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.009 -0.099 19732 8627 1 16 . 1 1 92 92 ILE C C 92 177.704 177.704 175.698 2.006 19732 8628 1 16 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.556 1.474 19732 8629 1 16 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.685 -0.234 19732 8630 1 16 . 1 1 92 92 ILE H H 92 8.259 8.259 8.519 -0.260 19732 8631 1 16 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.183 -0.066 19732 8632 1 16 . 1 1 93 93 PRO C C 93 178.653 178.653 178.322 0.331 19732 8633 1 16 . 1 1 93 93 PRO CA C 93 66.003 66.003 65.977 0.026 19732 8634 1 16 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.195 -0.059 19732 8635 1 16 . 1 1 94 94 LEU N N 94 114.952 114.952 115.786 -0.834 19732 8636 1 16 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.301 -0.175 19732 8637 1 16 . 1 1 94 94 LEU C C 94 180.119 180.119 179.207 0.912 19732 8638 1 16 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.712 0.073 19732 8639 1 16 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.259 1.501 19732 8640 1 16 . 1 1 94 94 LEU H H 94 7.657 7.657 7.479 0.178 19732 8641 1 16 . 1 1 95 95 VAL N N 95 119.986 119.986 119.117 0.869 19732 8642 1 16 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.212 -0.204 19732 8643 1 16 . 1 1 95 95 VAL C C 95 177.559 177.559 176.985 0.574 19732 8644 1 16 . 1 1 95 95 VAL CA C 95 66.666 66.666 64.936 1.730 19732 8645 1 16 . 1 1 95 95 VAL CB C 95 31.714 31.714 32.765 -1.051 19732 8646 1 16 . 1 1 95 95 VAL H H 95 8.873 8.873 8.039 0.834 19732 8647 1 16 . 1 1 96 96 SER N N 96 111.863 111.863 113.096 -1.233 19732 8648 1 16 . 1 1 96 96 SER HA H 96 4.598 4.598 4.123 0.475 19732 8649 1 16 . 1 1 96 96 SER C C 96 175.113 175.113 174.981 0.132 19732 8650 1 16 . 1 1 96 96 SER CA C 96 59.163 59.163 59.000 0.163 19732 8651 1 16 . 1 1 96 96 SER CB C 96 63.552 63.552 62.580 0.972 19732 8652 1 16 . 1 1 96 96 SER H H 96 7.823 7.823 7.861 -0.038 19732 8653 1 16 . 1 1 97 97 ILE N N 97 120.300 120.300 121.176 -0.876 19732 8654 1 16 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.525 0.294 19732 8655 1 16 . 1 1 97 97 ILE C C 97 174.601 174.601 177.141 -2.540 19732 8656 1 16 . 1 1 97 97 ILE CA C 97 63.804 63.804 63.610 0.194 19732 8657 1 16 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.437 0.622 19732 8658 1 16 . 1 1 97 97 ILE H H 97 7.014 7.014 7.360 -0.346 19732 8659 1 16 . 1 1 98 98 TRP N N 98 120.222 120.222 115.365 4.857 19732 8660 1 16 . 1 1 98 98 TRP HA H 98 4.062 4.062 2.355 1.707 19732 8661 1 16 . 1 1 98 98 TRP C C 98 176.502 176.502 175.282 1.220 19732 8662 1 16 . 1 1 98 98 TRP CA C 98 57.790 57.790 57.736 0.054 19732 8663 1 16 . 1 1 98 98 TRP CB C 98 28.963 28.963 26.625 2.338 19732 8664 1 16 . 1 1 98 98 TRP H H 98 7.651 7.651 7.615 0.036 19732 8665 1 16 . 1 1 99 99 GLY N N 99 109.003 109.003 105.653 3.350 19732 8666 1 16 . 1 1 99 99 GLY C C 99 170.846 170.846 171.323 -0.477 19732 8667 1 16 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.611 1.026 19732 8668 1 16 . 1 1 99 99 GLY H H 99 7.240 7.240 7.274 -0.034 19732 8669 1 16 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.228 0.071 19732 8670 1 16 . 1 1 100 100 PRO C C 100 176.200 176.200 175.902 0.298 19732 8671 1 16 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.943 0.061 19732 8672 1 16 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.392 0.416 19732 8673 1 17 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.460 -0.050 19732 8674 1 17 . 1 1 2 2 PRO C C 2 176.929 176.929 176.206 0.723 19732 8675 1 17 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.339 -0.198 19732 8676 1 17 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.428 -0.194 19732 8677 1 17 . 1 1 3 3 LEU N N 3 121.746 121.746 119.251 2.495 19732 8678 1 17 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.665 -0.388 19732 8679 1 17 . 1 1 3 3 LEU C C 3 177.789 177.789 177.269 0.520 19732 8680 1 17 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.387 0.980 19732 8681 1 17 . 1 1 3 3 LEU CB C 3 42.157 42.157 43.337 -1.180 19732 8682 1 17 . 1 1 3 3 LEU H H 3 8.420 8.420 7.582 0.838 19732 8683 1 17 . 1 1 4 4 GLY N N 4 109.400 109.400 109.953 -0.553 19732 8684 1 17 . 1 1 4 4 GLY C C 4 174.208 174.208 174.024 0.184 19732 8685 1 17 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.288 -0.033 19732 8686 1 17 . 1 1 4 4 GLY H H 4 8.326 8.326 8.537 -0.211 19732 8687 1 17 . 1 1 5 5 SER N N 5 115.339 115.339 117.047 -1.708 19732 8688 1 17 . 1 1 5 5 SER HA H 5 4.363 4.363 4.844 -0.481 19732 8689 1 17 . 1 1 5 5 SER C C 5 174.549 174.549 174.270 0.279 19732 8690 1 17 . 1 1 5 5 SER CA C 5 58.443 58.443 58.050 0.393 19732 8691 1 17 . 1 1 5 5 SER CB C 5 63.773 63.773 65.071 -1.298 19732 8692 1 17 . 1 1 5 5 SER H H 5 8.098 8.098 8.372 -0.274 19732 8693 1 17 . 1 1 6 6 MET N N 6 121.404 121.404 123.511 -2.107 19732 8694 1 17 . 1 1 6 6 MET HA H 6 4.427 4.427 4.424 0.003 19732 8695 1 17 . 1 1 6 6 MET C C 6 175.724 175.724 174.927 0.797 19732 8696 1 17 . 1 1 6 6 MET CA C 6 55.612 55.612 55.939 -0.327 19732 8697 1 17 . 1 1 6 6 MET CB C 6 32.874 32.874 33.002 -0.128 19732 8698 1 17 . 1 1 6 6 MET H H 6 8.326 8.326 8.836 -0.510 19732 8699 1 17 . 1 1 7 7 ASP N N 7 120.769 120.769 116.945 3.824 19732 8700 1 17 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.988 -0.471 19732 8701 1 17 . 1 1 7 7 ASP C C 7 176.111 176.111 176.373 -0.262 19732 8702 1 17 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.121 0.015 19732 8703 1 17 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.279 1.006 19732 8704 1 17 . 1 1 7 7 ASP H H 7 8.114 8.114 8.314 -0.200 19732 8705 1 17 . 1 1 8 8 ALA N N 8 123.543 123.543 122.167 1.376 19732 8706 1 17 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.263 -0.204 19732 8707 1 17 . 1 1 8 8 ALA C C 8 178.788 178.788 178.928 -0.140 19732 8708 1 17 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.420 -0.489 19732 8709 1 17 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.923 0.004 19732 8710 1 17 . 1 1 8 8 ALA H H 8 8.248 8.248 7.333 0.915 19732 8711 1 17 . 1 1 9 9 GLU N N 9 118.034 118.034 118.643 -0.609 19732 8712 1 17 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.113 0.013 19732 8713 1 17 . 1 1 9 9 GLU C C 9 177.485 177.485 178.409 -0.924 19732 8714 1 17 . 1 1 9 9 GLU CA C 9 57.840 57.840 58.851 -1.011 19732 8715 1 17 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.064 1.538 19732 8716 1 17 . 1 1 9 9 GLU H H 9 8.255 8.255 8.573 -0.318 19732 8717 1 17 . 1 1 10 10 SER N N 10 115.260 115.260 115.962 -0.702 19732 8718 1 17 . 1 1 10 10 SER HA H 10 4.232 4.232 4.242 -0.010 19732 8719 1 17 . 1 1 10 10 SER C C 10 175.552 175.552 175.359 0.193 19732 8720 1 17 . 1 1 10 10 SER CA C 10 60.015 60.015 61.265 -1.250 19732 8721 1 17 . 1 1 10 10 SER CB C 10 63.225 63.225 62.668 0.557 19732 8722 1 17 . 1 1 10 10 SER H H 10 7.992 7.992 7.983 0.009 19732 8723 1 17 . 1 1 11 11 ILE N N 11 121.199 121.199 120.102 1.097 19732 8724 1 17 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.035 -0.145 19732 8725 1 17 . 1 1 11 11 ILE C C 11 176.411 176.411 177.303 -0.892 19732 8726 1 17 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.585 0.165 19732 8727 1 17 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.261 0.012 19732 8728 1 17 . 1 1 11 11 ILE H H 11 7.729 7.729 7.449 0.280 19732 8729 1 17 . 1 1 12 12 ARG N N 12 121.248 121.248 119.481 1.767 19732 8730 1 17 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.325 -0.212 19732 8731 1 17 . 1 1 12 12 ARG C C 12 176.970 176.970 176.570 0.400 19732 8732 1 17 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.271 0.806 19732 8733 1 17 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.565 -0.069 19732 8734 1 17 . 1 1 12 12 ARG H H 12 7.853 7.853 7.416 0.437 19732 8735 1 17 . 1 1 13 13 LEU N N 13 120.701 120.701 119.018 1.683 19732 8736 1 17 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.000 0.218 19732 8737 1 17 . 1 1 13 13 LEU C C 13 177.620 177.620 176.698 0.922 19732 8738 1 17 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.581 -0.284 19732 8739 1 17 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.873 1.301 19732 8740 1 17 . 1 1 13 13 LEU H H 13 8.020 8.020 8.654 -0.634 19732 8741 1 17 . 1 1 16 16 GLU N N 16 120.417 120.417 122.920 -2.503 19732 8742 1 17 . 1 1 16 16 GLU HA H 16 4.125 4.125 3.941 0.184 19732 8743 1 17 . 1 1 16 16 GLU C C 16 178.929 178.929 178.379 0.550 19732 8744 1 17 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.114 -0.509 19732 8745 1 17 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.618 -0.227 19732 8746 1 17 . 1 1 16 16 GLU H H 16 8.465 8.465 8.297 0.168 19732 8747 1 17 . 1 1 17 17 ASN N N 17 118.855 118.855 117.910 0.945 19732 8748 1 17 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.704 -0.085 19732 8749 1 17 . 1 1 17 17 ASN C C 17 177.835 177.835 177.560 0.275 19732 8750 1 17 . 1 1 17 17 ASN CA C 17 55.538 55.538 54.964 0.574 19732 8751 1 17 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.330 -0.118 19732 8752 1 17 . 1 1 17 17 ASN H H 17 8.428 8.428 8.266 0.162 19732 8753 1 17 . 1 1 18 18 LEU N N 18 123.972 123.972 122.192 1.780 19732 8754 1 17 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.147 0.073 19732 8755 1 17 . 1 1 18 18 LEU C C 18 178.248 178.248 178.240 0.008 19732 8756 1 17 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.550 -0.665 19732 8757 1 17 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.800 -0.103 19732 8758 1 17 . 1 1 18 18 LEU H H 18 8.208 8.208 8.116 0.092 19732 8759 1 17 . 1 1 19 19 TRP N N 19 119.362 119.362 120.533 -1.171 19732 8760 1 17 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.210 -0.044 19732 8761 1 17 . 1 1 19 19 TRP C C 19 177.617 177.617 177.695 -0.078 19732 8762 1 17 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.917 -0.021 19732 8763 1 17 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.551 -0.124 19732 8764 1 17 . 1 1 19 19 TRP H H 19 8.316 8.316 8.752 -0.436 19732 8765 1 17 . 1 1 20 20 ALA N N 20 118.581 118.581 120.797 -2.216 19732 8766 1 17 . 1 1 20 20 ALA HA H 20 4.050 4.050 4.020 0.030 19732 8767 1 17 . 1 1 20 20 ALA C C 20 180.422 180.422 179.670 0.752 19732 8768 1 17 . 1 1 20 20 ALA CA C 20 55.164 55.164 54.804 0.360 19732 8769 1 17 . 1 1 20 20 ALA CB C 20 18.040 18.040 18.216 -0.176 19732 8770 1 17 . 1 1 20 20 ALA H H 20 7.957 7.957 7.839 0.118 19732 8771 1 17 . 1 1 21 21 TRP N N 21 119.753 119.753 121.298 -1.545 19732 8772 1 17 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.330 -0.437 19732 8773 1 17 . 1 1 21 21 TRP C C 21 177.494 177.494 177.412 0.082 19732 8774 1 17 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.916 2.182 19732 8775 1 17 . 1 1 21 21 TRP CB C 21 28.643 28.643 30.240 -1.597 19732 8776 1 17 . 1 1 21 21 TRP H H 21 8.043 8.043 8.294 -0.251 19732 8777 1 17 . 1 1 22 22 LEU N N 22 122.136 122.136 121.468 0.668 19732 8778 1 17 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.603 -0.164 19732 8779 1 17 . 1 1 22 22 LEU C C 22 178.075 178.075 178.534 -0.459 19732 8780 1 17 . 1 1 22 22 LEU CA C 22 57.755 57.755 58.011 -0.256 19732 8781 1 17 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.687 0.283 19732 8782 1 17 . 1 1 22 22 LEU H H 22 8.553 8.553 8.454 0.099 19732 8783 1 17 . 1 1 23 23 VAL N N 23 118.034 118.034 117.673 0.361 19732 8784 1 17 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.343 -0.030 19732 8785 1 17 . 1 1 23 23 VAL C C 23 178.401 178.401 177.965 0.436 19732 8786 1 17 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.476 0.648 19732 8787 1 17 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.595 0.705 19732 8788 1 17 . 1 1 23 23 VAL H H 23 8.341 8.341 8.199 0.142 19732 8789 1 17 . 1 1 24 24 ARG N N 24 120.377 120.377 119.049 1.328 19732 8790 1 17 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.941 -0.127 19732 8791 1 17 . 1 1 24 24 ARG C C 24 179.205 179.205 178.691 0.514 19732 8792 1 17 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.297 0.806 19732 8793 1 17 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.140 -0.104 19732 8794 1 17 . 1 1 24 24 ARG H H 24 7.856 7.856 7.345 0.511 19732 8795 1 17 . 1 1 25 25 LEU N N 25 121.668 121.668 120.778 0.890 19732 8796 1 17 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.838 -0.175 19732 8797 1 17 . 1 1 25 25 LEU C C 25 179.943 179.943 179.219 0.724 19732 8798 1 17 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.391 0.657 19732 8799 1 17 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.897 0.131 19732 8800 1 17 . 1 1 25 25 LEU H H 25 7.838 7.838 7.889 -0.051 19732 8801 1 17 . 1 1 26 26 LEU N N 26 118.308 118.308 117.741 0.567 19732 8802 1 17 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.017 -0.106 19732 8803 1 17 . 1 1 26 26 LEU C C 26 179.471 179.471 179.422 0.049 19732 8804 1 17 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.245 0.228 19732 8805 1 17 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.817 0.212 19732 8806 1 17 . 1 1 26 26 LEU H H 26 8.247 8.247 8.307 -0.060 19732 8807 1 17 . 1 1 27 27 SER N N 27 115.768 115.768 113.989 1.779 19732 8808 1 17 . 1 1 27 27 SER HA H 27 4.020 4.020 4.210 -0.190 19732 8809 1 17 . 1 1 27 27 SER C C 27 174.990 174.990 175.324 -0.334 19732 8810 1 17 . 1 1 27 27 SER CA C 27 61.755 61.755 60.499 1.256 19732 8811 1 17 . 1 1 27 27 SER CB C 27 62.755 62.755 62.997 -0.242 19732 8812 1 17 . 1 1 27 27 SER H H 27 8.436 8.436 7.763 0.673 19732 8813 1 17 . 1 1 28 28 LYS N N 28 117.644 117.644 117.196 0.448 19732 8814 1 17 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.327 -0.013 19732 8815 1 17 . 1 1 28 28 LYS C C 28 175.979 175.979 176.691 -0.712 19732 8816 1 17 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.840 -0.653 19732 8817 1 17 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.560 0.231 19732 8818 1 17 . 1 1 28 28 LYS H H 28 7.014 7.014 7.325 -0.311 19732 8819 1 17 . 1 1 29 29 ASN N N 29 118.347 118.347 117.150 1.197 19732 8820 1 17 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.276 0.006 19732 8821 1 17 . 1 1 29 29 ASN C C 29 171.835 171.835 173.142 -1.307 19732 8822 1 17 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.491 0.834 19732 8823 1 17 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.283 2.343 19732 8824 1 17 . 1 1 29 29 ASN H H 29 7.611 7.611 7.604 0.007 19732 8825 1 17 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.421 0.030 19732 8826 1 17 . 1 1 30 30 PRO C C 30 179.560 179.560 178.142 1.418 19732 8827 1 17 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.054 0.815 19732 8828 1 17 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.886 -0.484 19732 8829 1 17 . 1 1 31 31 GLU N N 31 119.636 119.636 118.477 1.159 19732 8830 1 17 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.070 0.056 19732 8831 1 17 . 1 1 31 31 GLU C C 31 179.253 179.253 178.521 0.732 19732 8832 1 17 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.368 0.304 19732 8833 1 17 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.142 -0.777 19732 8834 1 17 . 1 1 31 31 GLU H H 31 8.593 8.593 8.732 -0.139 19732 8835 1 17 . 1 1 32 32 TRP N N 32 122.293 122.293 121.613 0.680 19732 8836 1 17 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.420 -0.387 19732 8837 1 17 . 1 1 32 32 TRP C C 32 178.055 178.055 177.883 0.172 19732 8838 1 17 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.736 1.120 19732 8839 1 17 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.814 -0.698 19732 8840 1 17 . 1 1 32 32 TRP H H 32 7.933 7.933 7.365 0.568 19732 8841 1 17 . 1 1 33 33 LEU N N 33 117.409 117.409 120.976 -3.567 19732 8842 1 17 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.857 0.033 19732 8843 1 17 . 1 1 33 33 LEU C C 33 177.934 177.934 178.708 -0.774 19732 8844 1 17 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.718 0.460 19732 8845 1 17 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.406 0.152 19732 8846 1 17 . 1 1 33 33 LEU H H 33 8.012 8.012 8.367 -0.355 19732 8847 1 17 . 1 1 34 34 SER N N 34 113.257 113.257 115.465 -2.208 19732 8848 1 17 . 1 1 34 34 SER HA H 34 3.975 3.975 3.995 -0.020 19732 8849 1 17 . 1 1 34 34 SER C C 34 176.363 176.363 176.446 -0.083 19732 8850 1 17 . 1 1 34 34 SER CA C 34 62.194 62.194 61.700 0.494 19732 8851 1 17 . 1 1 34 34 SER CB C 34 62.739 62.739 62.600 0.139 19732 8852 1 17 . 1 1 34 34 SER H H 34 8.335 8.335 8.485 -0.150 19732 8853 1 17 . 1 1 35 35 ALA N N 35 121.511 121.511 125.001 -3.490 19732 8854 1 17 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.910 0.047 19732 8855 1 17 . 1 1 35 35 ALA C C 35 180.728 180.728 179.734 0.994 19732 8856 1 17 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.963 -0.074 19732 8857 1 17 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.077 -0.302 19732 8858 1 17 . 1 1 35 35 ALA H H 35 7.391 7.391 7.552 -0.161 19732 8859 1 17 . 1 1 36 36 LYS N N 36 118.386 118.386 117.420 0.966 19732 8860 1 17 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.956 -0.122 19732 8861 1 17 . 1 1 36 36 LYS C C 36 179.578 179.578 179.212 0.366 19732 8862 1 17 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.862 -1.265 19732 8863 1 17 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.813 -1.330 19732 8864 1 17 . 1 1 36 36 LYS H H 36 7.823 7.823 7.208 0.615 19732 8865 1 17 . 1 1 37 37 LEU N N 37 119.480 119.480 119.532 -0.052 19732 8866 1 17 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.106 -0.216 19732 8867 1 17 . 1 1 37 37 LEU C C 37 178.529 178.529 178.766 -0.237 19732 8868 1 17 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.042 0.605 19732 8869 1 17 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.342 -0.194 19732 8870 1 17 . 1 1 37 37 LEU H H 37 8.725 8.725 8.461 0.264 19732 8871 1 17 . 1 1 38 38 ARG N N 38 115.612 115.612 118.494 -2.882 19732 8872 1 17 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.049 -0.052 19732 8873 1 17 . 1 1 38 38 ARG C C 38 177.661 177.661 177.773 -0.112 19732 8874 1 17 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.218 -0.706 19732 8875 1 17 . 1 1 38 38 ARG CB C 38 29.935 29.935 30.038 -0.103 19732 8876 1 17 . 1 1 38 38 ARG H H 38 7.446 7.446 8.051 -0.605 19732 8877 1 17 . 1 1 39 39 SER N N 39 111.883 111.883 113.103 -1.220 19732 8878 1 17 . 1 1 39 39 SER HA H 39 4.160 4.160 4.166 -0.006 19732 8879 1 17 . 1 1 39 39 SER C C 39 175.401 175.401 174.843 0.558 19732 8880 1 17 . 1 1 39 39 SER CA C 39 60.359 60.359 60.555 -0.196 19732 8881 1 17 . 1 1 39 39 SER CB C 39 63.228 63.228 62.721 0.507 19732 8882 1 17 . 1 1 39 39 SER H H 39 7.353 7.353 7.312 0.041 19732 8883 1 17 . 1 1 40 40 PHE N N 40 117.136 117.136 118.201 -1.065 19732 8884 1 17 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.537 0.077 19732 8885 1 17 . 1 1 40 40 PHE C C 40 175.852 175.852 175.635 0.217 19732 8886 1 17 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.304 0.406 19732 8887 1 17 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.864 1.830 19732 8888 1 17 . 1 1 40 40 PHE H H 40 7.792 7.792 7.358 0.434 19732 8889 1 17 . 1 1 41 41 LEU N N 41 119.050 119.050 119.513 -0.463 19732 8890 1 17 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.652 0.225 19732 8891 1 17 . 1 1 41 41 LEU C C 41 174.510 174.510 175.373 -0.863 19732 8892 1 17 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.382 -0.290 19732 8893 1 17 . 1 1 41 41 LEU CB C 41 42.037 42.037 42.565 -0.528 19732 8894 1 17 . 1 1 41 41 LEU H H 41 8.114 8.114 8.181 -0.067 19732 8895 1 17 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.511 -0.209 19732 8896 1 17 . 1 1 42 42 PRO C C 42 177.620 177.620 176.610 1.010 19732 8897 1 17 . 1 1 42 42 PRO CA C 42 63.771 63.771 63.942 -0.171 19732 8898 1 17 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.325 -0.644 19732 8899 1 17 . 1 1 43 43 THR N N 43 109.752 109.752 109.080 0.672 19732 8900 1 17 . 1 1 43 43 THR HA H 43 4.256 4.256 4.517 -0.261 19732 8901 1 17 . 1 1 43 43 THR C C 43 174.467 174.467 174.157 0.310 19732 8902 1 17 . 1 1 43 43 THR CA C 43 61.657 61.657 59.484 2.173 19732 8903 1 17 . 1 1 43 43 THR CB C 43 69.450 69.450 68.549 0.901 19732 8904 1 17 . 1 1 43 43 THR H H 43 7.671 7.671 7.728 -0.057 19732 8905 1 17 . 1 1 44 44 MET N N 44 121.568 121.568 120.390 1.178 19732 8906 1 17 . 1 1 44 44 MET HA H 44 4.363 4.363 4.539 -0.176 19732 8907 1 17 . 1 1 44 44 MET C C 44 175.373 175.373 175.393 -0.020 19732 8908 1 17 . 1 1 44 44 MET CA C 44 55.710 55.710 55.852 -0.143 19732 8909 1 17 . 1 1 44 44 MET CB C 44 32.989 32.989 31.489 1.500 19732 8910 1 17 . 1 1 44 44 MET H H 44 8.037 8.037 7.562 0.475 19732 8911 1 17 . 1 1 45 45 ASP N N 45 121.980 121.980 126.966 -4.986 19732 8912 1 17 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.799 -0.278 19732 8913 1 17 . 1 1 45 45 ASP C C 45 176.022 176.022 175.871 0.151 19732 8914 1 17 . 1 1 45 45 ASP CA C 45 54.371 54.371 54.291 0.080 19732 8915 1 17 . 1 1 45 45 ASP CB C 45 41.147 41.147 41.629 -0.482 19732 8916 1 17 . 1 1 45 45 ASP H H 45 8.230 8.230 8.582 -0.352 19732 8917 1 17 . 1 1 46 46 LEU N N 46 122.192 122.192 119.421 2.771 19732 8918 1 17 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.706 -0.562 19732 8919 1 17 . 1 1 46 46 LEU C C 46 177.018 177.018 177.062 -0.044 19732 8920 1 17 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.398 0.515 19732 8921 1 17 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.488 -0.312 19732 8922 1 17 . 1 1 46 46 LEU H H 46 8.028 8.028 7.976 0.052 19732 8923 1 17 . 1 1 47 47 ASP N N 47 120.573 120.573 119.872 0.701 19732 8924 1 17 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.324 0.201 19732 8925 1 17 . 1 1 47 47 ASP C C 47 176.370 176.370 176.172 0.198 19732 8926 1 17 . 1 1 47 47 ASP CA C 47 54.207 54.207 55.781 -1.574 19732 8927 1 17 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.665 0.489 19732 8928 1 17 . 1 1 47 47 ASP H H 47 8.238 8.238 8.357 -0.119 19732 8929 1 17 . 1 1 48 48 CYS N N 48 118.464 118.464 119.707 -1.243 19732 8930 1 17 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.418 0.011 19732 8931 1 17 . 1 1 48 48 CYS C C 48 174.340 174.340 173.979 0.361 19732 8932 1 17 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.720 -0.207 19732 8933 1 17 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.215 0.737 19732 8934 1 17 . 1 1 48 48 CYS H H 48 8.068 8.068 7.672 0.396 19732 8935 1 17 . 1 1 49 49 SER N N 49 116.784 116.784 124.706 -7.922 19732 8936 1 17 . 1 1 49 49 SER HA H 49 4.302 4.302 4.188 0.114 19732 8937 1 17 . 1 1 49 49 SER C C 49 173.897 173.897 174.175 -0.278 19732 8938 1 17 . 1 1 49 49 SER CA C 49 58.718 58.718 56.808 1.910 19732 8939 1 17 . 1 1 49 49 SER CB C 49 63.636 63.636 61.623 2.014 19732 8940 1 17 . 1 1 49 49 SER H H 49 8.185 8.185 8.331 -0.146 19732 8941 1 17 . 1 1 50 50 TYR N N 50 120.886 120.886 124.575 -3.689 19732 8942 1 17 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.254 0.258 19732 8943 1 17 . 1 1 50 50 TYR C C 50 174.818 174.818 176.463 -1.645 19732 8944 1 17 . 1 1 50 50 TYR CA C 50 57.486 57.486 59.284 -1.798 19732 8945 1 17 . 1 1 50 50 TYR CB C 50 38.796 38.796 37.951 0.845 19732 8946 1 17 . 1 1 50 50 TYR H H 50 7.776 7.776 6.896 0.880 19732 8947 1 17 . 1 1 51 51 GLU N N 51 122.800 122.800 116.093 6.707 19732 8948 1 17 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.823 -0.268 19732 8949 1 17 . 1 1 51 51 GLU C C 51 174.508 174.508 173.720 0.788 19732 8950 1 17 . 1 1 51 51 GLU CA C 51 53.928 53.928 52.574 1.354 19732 8951 1 17 . 1 1 51 51 GLU CB C 51 30.225 30.225 30.911 -0.686 19732 8952 1 17 . 1 1 51 51 GLU H H 51 8.026 8.026 7.797 0.229 19732 8953 1 17 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.406 -0.104 19732 8954 1 17 . 1 1 52 52 PRO C C 52 176.065 176.065 177.787 -1.722 19732 8955 1 17 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.611 1.073 19732 8956 1 17 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.213 -0.650 19732 8957 1 17 . 1 1 53 53 SER N N 53 110.611 110.611 115.945 -5.334 19732 8958 1 17 . 1 1 53 53 SER HA H 53 4.302 4.302 4.384 -0.082 19732 8959 1 17 . 1 1 53 53 SER C C 53 173.858 173.858 174.082 -0.224 19732 8960 1 17 . 1 1 53 53 SER CA C 53 58.508 58.508 58.356 0.152 19732 8961 1 17 . 1 1 53 53 SER CB C 53 63.636 63.636 61.274 2.362 19732 8962 1 17 . 1 1 53 53 SER H H 53 7.934 7.934 8.646 -0.712 19732 8963 1 17 . 1 1 54 54 ASN N N 54 121.155 121.155 122.816 -1.661 19732 8964 1 17 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.727 0.151 19732 8965 1 17 . 1 1 54 54 ASN C C 54 174.167 174.167 175.066 -0.899 19732 8966 1 17 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.567 -1.096 19732 8967 1 17 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.699 1.305 19732 8968 1 17 . 1 1 54 54 ASN H H 54 7.666 7.666 8.122 -0.456 19732 8969 1 17 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.158 -0.129 19732 8970 1 17 . 1 1 55 55 PRO C C 55 177.787 177.787 178.798 -1.011 19732 8971 1 17 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.975 -0.389 19732 8972 1 17 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.020 0.343 19732 8973 1 17 . 1 1 56 56 GLU N N 56 117.292 117.292 117.533 -0.241 19732 8974 1 17 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.293 -0.223 19732 8975 1 17 . 1 1 56 56 GLU C C 56 179.258 179.258 179.011 0.247 19732 8976 1 17 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.504 -0.032 19732 8977 1 17 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.980 0.144 19732 8978 1 17 . 1 1 56 56 GLU H H 56 8.153 8.153 8.791 -0.638 19732 8979 1 17 . 1 1 57 57 VAL N N 57 120.730 120.730 121.165 -0.435 19732 8980 1 17 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.878 -0.310 19732 8981 1 17 . 1 1 57 57 VAL C C 57 178.039 178.039 177.923 0.116 19732 8982 1 17 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.454 -0.489 19732 8983 1 17 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.624 0.361 19732 8984 1 17 . 1 1 57 57 VAL H H 57 7.556 7.556 7.287 0.269 19732 8985 1 17 . 1 1 58 58 ILE N N 58 119.892 119.892 119.861 0.031 19732 8986 1 17 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.667 0.043 19732 8987 1 17 . 1 1 58 58 ILE C C 58 178.096 178.096 177.854 0.242 19732 8988 1 17 . 1 1 58 58 ILE CA C 58 65.212 65.212 64.525 0.687 19732 8989 1 17 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.295 1.023 19732 8990 1 17 . 1 1 58 58 ILE H H 58 7.784 7.784 8.595 -0.811 19732 8991 1 17 . 1 1 59 59 HIS N N 59 117.644 117.644 119.764 -2.120 19732 8992 1 17 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.225 -0.078 19732 8993 1 17 . 1 1 59 59 HIS C C 59 177.576 177.576 177.644 -0.068 19732 8994 1 17 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.378 0.117 19732 8995 1 17 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.394 -0.115 19732 8996 1 17 . 1 1 59 59 HIS H H 59 8.350 8.350 8.529 -0.179 19732 8997 1 17 . 1 1 60 60 ARG N N 60 118.248 118.248 119.138 -0.890 19732 8998 1 17 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.827 0.219 19732 8999 1 17 . 1 1 60 60 ARG C C 60 179.642 179.642 178.808 0.834 19732 9000 1 17 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.417 0.529 19732 9001 1 17 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.054 0.253 19732 9002 1 17 . 1 1 60 60 ARG H H 60 7.776 7.776 8.048 -0.272 19732 9003 1 17 . 1 1 61 61 GLN N N 61 119.475 119.475 118.625 0.850 19732 9004 1 17 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.088 -0.022 19732 9005 1 17 . 1 1 61 61 GLN C C 61 178.650 178.650 178.710 -0.060 19732 9006 1 17 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.736 0.289 19732 9007 1 17 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.764 -0.612 19732 9008 1 17 . 1 1 61 61 GLN H H 61 8.460 8.460 7.724 0.736 19732 9009 1 17 . 1 1 62 62 LEU N N 62 117.882 117.882 120.156 -2.274 19732 9010 1 17 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.097 0.031 19732 9011 1 17 . 1 1 62 62 LEU C C 62 179.260 179.260 179.070 0.190 19732 9012 1 17 . 1 1 62 62 LEU CA C 62 57.995 57.995 57.257 0.738 19732 9013 1 17 . 1 1 62 62 LEU CB C 62 41.631 41.631 40.966 0.665 19732 9014 1 17 . 1 1 62 62 LEU H H 62 8.742 8.742 8.671 0.071 19732 9015 1 17 . 1 1 63 63 ASN N N 63 117.409 117.409 118.169 -0.760 19732 9016 1 17 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.289 -0.059 19732 9017 1 17 . 1 1 63 63 ASN C C 63 178.050 178.050 177.183 0.867 19732 9018 1 17 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.457 0.208 19732 9019 1 17 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.476 0.202 19732 9020 1 17 . 1 1 63 63 ASN H H 63 8.279 8.279 8.414 -0.135 19732 9021 1 17 . 1 1 64 64 ARG N N 64 119.753 119.753 119.142 0.611 19732 9022 1 17 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.113 -0.071 19732 9023 1 17 . 1 1 64 64 ARG C C 64 178.914 178.914 178.846 0.068 19732 9024 1 17 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.324 0.536 19732 9025 1 17 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.726 0.043 19732 9026 1 17 . 1 1 64 64 ARG H H 64 7.784 7.784 7.731 0.053 19732 9027 1 17 . 1 1 65 65 LEU N N 65 120.009 120.009 119.535 0.474 19732 9028 1 17 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.068 -0.129 19732 9029 1 17 . 1 1 65 65 LEU C C 65 178.481 178.481 178.849 -0.368 19732 9030 1 17 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.688 0.619 19732 9031 1 17 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.636 0.821 19732 9032 1 17 . 1 1 65 65 LEU H H 65 7.779 7.779 7.950 -0.171 19732 9033 1 17 . 1 1 66 66 PHE N N 66 118.503 118.503 119.774 -1.271 19732 9034 1 17 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.574 -0.599 19732 9035 1 17 . 1 1 66 66 PHE C C 66 178.269 178.269 176.371 1.898 19732 9036 1 17 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.904 0.933 19732 9037 1 17 . 1 1 66 66 PHE CB C 66 38.751 38.751 39.319 -0.568 19732 9038 1 17 . 1 1 66 66 PHE H H 66 8.287 8.287 7.803 0.484 19732 9039 1 17 . 1 1 67 67 ALA N N 67 119.206 119.206 120.548 -1.342 19732 9040 1 17 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.078 -0.179 19732 9041 1 17 . 1 1 67 67 ALA C C 67 178.876 178.876 179.597 -0.721 19732 9042 1 17 . 1 1 67 67 ALA CA C 67 53.658 53.658 54.227 -0.569 19732 9043 1 17 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.692 -0.651 19732 9044 1 17 . 1 1 67 67 ALA H H 67 7.902 7.902 7.790 0.112 19732 9045 1 17 . 1 1 68 68 GLN N N 68 115.534 115.534 117.553 -2.019 19732 9046 1 17 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.208 -0.093 19732 9047 1 17 . 1 1 68 68 GLN C C 68 177.274 177.274 176.899 0.375 19732 9048 1 17 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.931 -0.535 19732 9049 1 17 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.817 -0.976 19732 9050 1 17 . 1 1 68 68 GLN H H 68 7.572 7.572 7.788 -0.216 19732 9051 1 17 . 1 1 69 69 GLY N N 69 106.861 106.861 105.469 1.392 19732 9052 1 17 . 1 1 69 69 GLY C C 69 173.690 173.690 173.269 0.421 19732 9053 1 17 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.176 -1.289 19732 9054 1 17 . 1 1 69 69 GLY H H 69 7.486 7.486 7.920 -0.434 19732 9055 1 17 . 1 1 70 70 MET N N 70 119.355 119.355 119.880 -0.525 19732 9056 1 17 . 1 1 70 70 MET HA H 70 4.117 4.117 4.099 0.018 19732 9057 1 17 . 1 1 70 70 MET C C 70 177.743 177.743 176.852 0.891 19732 9058 1 17 . 1 1 70 70 MET CA C 70 57.396 57.396 58.518 -1.122 19732 9059 1 17 . 1 1 70 70 MET CB C 70 30.638 30.638 32.005 -1.367 19732 9060 1 17 . 1 1 70 70 MET H H 70 8.245 8.245 8.301 -0.056 19732 9061 1 17 . 1 1 71 71 ALA N N 71 120.691 120.691 123.501 -2.810 19732 9062 1 17 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.164 -0.101 19732 9063 1 17 . 1 1 71 71 ALA C C 71 181.027 181.027 179.573 1.454 19732 9064 1 17 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.577 1.065 19732 9065 1 17 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.994 -0.429 19732 9066 1 17 . 1 1 71 71 ALA H H 71 8.624 8.624 8.262 0.362 19732 9067 1 17 . 1 1 72 72 THR N N 72 116.354 116.354 115.683 0.671 19732 9068 1 17 . 1 1 72 72 THR HA H 72 3.825 3.825 3.968 -0.143 19732 9069 1 17 . 1 1 72 72 THR C C 72 174.861 174.861 176.015 -1.154 19732 9070 1 17 . 1 1 72 72 THR CA C 72 66.992 66.992 67.329 -0.337 19732 9071 1 17 . 1 1 72 72 THR CB C 72 68.355 68.355 68.447 -0.092 19732 9072 1 17 . 1 1 72 72 THR H H 72 7.525 7.525 7.899 -0.374 19732 9073 1 17 . 1 1 73 73 TRP N N 73 122.292 122.292 122.486 -0.194 19732 9074 1 17 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.185 0.146 19732 9075 1 17 . 1 1 73 73 TRP C C 73 176.757 176.757 177.490 -0.733 19732 9076 1 17 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.253 -0.694 19732 9077 1 17 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.762 0.594 19732 9078 1 17 . 1 1 73 73 TRP H H 73 8.090 8.090 8.070 0.020 19732 9079 1 17 . 1 1 74 74 LYS N N 74 115.768 115.768 118.269 -2.501 19732 9080 1 17 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.989 -0.250 19732 9081 1 17 . 1 1 74 74 LYS C C 74 178.957 178.957 179.397 -0.440 19732 9082 1 17 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.162 0.271 19732 9083 1 17 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.126 0.196 19732 9084 1 17 . 1 1 74 74 LYS H H 74 9.001 9.001 7.532 1.469 19732 9085 1 17 . 1 1 75 75 SER N N 75 115.378 115.378 115.890 -0.512 19732 9086 1 17 . 1 1 75 75 SER HA H 75 4.211 4.211 4.312 -0.101 19732 9087 1 17 . 1 1 75 75 SER C C 75 175.465 175.465 176.427 -0.962 19732 9088 1 17 . 1 1 75 75 SER CA C 75 61.999 61.999 61.563 0.436 19732 9089 1 17 . 1 1 75 75 SER CB C 75 63.160 63.160 62.861 0.298 19732 9090 1 17 . 1 1 75 75 SER H H 75 7.604 7.604 8.221 -0.617 19732 9091 1 17 . 1 1 76 76 PHE N N 76 121.707 121.707 123.611 -1.904 19732 9092 1 17 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.299 -0.283 19732 9093 1 17 . 1 1 76 76 PHE C C 76 175.983 175.983 177.055 -1.072 19732 9094 1 17 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.560 -0.079 19732 9095 1 17 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.955 -0.676 19732 9096 1 17 . 1 1 76 76 PHE H H 76 8.200 8.200 8.349 -0.149 19732 9097 1 17 . 1 1 77 77 ILE N N 77 117.448 117.448 118.632 -1.184 19732 9098 1 17 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.440 -0.109 19732 9099 1 17 . 1 1 77 77 ILE C C 77 177.919 177.919 178.014 -0.095 19732 9100 1 17 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.599 -3.105 19732 9101 1 17 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.337 -1.615 19732 9102 1 17 . 1 1 77 77 ILE H H 77 8.193 8.193 8.436 -0.243 19732 9103 1 17 . 1 1 78 78 ASN N N 78 119.831 119.831 119.913 -0.082 19732 9104 1 17 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.381 -0.163 19732 9105 1 17 . 1 1 78 78 ASN C C 78 177.228 177.228 177.365 -0.137 19732 9106 1 17 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.942 0.849 19732 9107 1 17 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.583 0.721 19732 9108 1 17 . 1 1 78 78 ASN H H 78 8.224 8.224 8.387 -0.163 19732 9109 1 17 . 1 1 79 79 ASP N N 79 119.402 119.402 120.598 -1.196 19732 9110 1 17 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.518 -0.029 19732 9111 1 17 . 1 1 79 79 ASP C C 79 177.600 177.600 178.418 -0.818 19732 9112 1 17 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.379 0.196 19732 9113 1 17 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.894 -0.977 19732 9114 1 17 . 1 1 79 79 ASP H H 79 8.028 8.028 7.898 0.130 19732 9115 1 17 . 1 1 80 80 LEU N N 80 122.293 122.293 121.796 0.497 19732 9116 1 17 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.599 -0.111 19732 9117 1 17 . 1 1 80 80 LEU C C 80 178.561 178.561 177.668 0.893 19732 9118 1 17 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.265 1.067 19732 9119 1 17 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.167 1.213 19732 9120 1 17 . 1 1 80 80 LEU H H 80 8.491 8.491 8.346 0.145 19732 9121 1 17 . 1 1 81 81 CYS N N 81 114.479 114.479 116.822 -2.343 19732 9122 1 17 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.029 -0.098 19732 9123 1 17 . 1 1 81 81 CYS C C 81 176.754 176.754 177.131 -0.377 19732 9124 1 17 . 1 1 81 81 CYS CA C 81 63.543 63.543 62.973 0.570 19732 9125 1 17 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.249 0.408 19732 9126 1 17 . 1 1 81 81 CYS H H 81 8.169 8.169 8.259 -0.090 19732 9127 1 17 . 1 1 82 82 PHE N N 82 115.964 115.964 120.846 -4.882 19732 9128 1 17 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.228 0.094 19732 9129 1 17 . 1 1 82 82 PHE C C 82 178.485 178.485 176.587 1.898 19732 9130 1 17 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.196 -0.320 19732 9131 1 17 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.687 0.144 19732 9132 1 17 . 1 1 82 82 PHE H H 82 7.863 7.863 7.577 0.286 19732 9133 1 17 . 1 1 83 83 GLU N N 83 116.314 116.314 116.704 -0.390 19732 9134 1 17 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.246 -0.201 19732 9135 1 17 . 1 1 83 83 GLU C C 83 177.877 177.877 178.039 -0.162 19732 9136 1 17 . 1 1 83 83 GLU CA C 83 58.745 58.745 57.748 0.997 19732 9137 1 17 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.639 -0.360 19732 9138 1 17 . 1 1 83 83 GLU H H 83 9.049 9.049 8.445 0.604 19732 9139 1 17 . 1 1 84 84 LEU N N 84 116.042 116.042 121.236 -5.194 19732 9140 1 17 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.030 0.207 19732 9141 1 17 . 1 1 84 84 LEU C C 84 175.868 175.868 176.049 -0.181 19732 9142 1 17 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.314 -0.657 19732 9143 1 17 . 1 1 84 84 LEU CB C 84 40.104 40.104 38.888 1.216 19732 9144 1 17 . 1 1 84 84 LEU H H 84 7.713 7.713 7.469 0.244 19732 9145 1 17 . 1 1 85 85 ASP N N 85 116.940 116.940 120.180 -3.240 19732 9146 1 17 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.202 0.048 19732 9147 1 17 . 1 1 85 85 ASP C C 85 174.424 174.424 175.627 -1.203 19732 9148 1 17 . 1 1 85 85 ASP CA C 85 54.685 54.685 56.431 -1.746 19732 9149 1 17 . 1 1 85 85 ASP CB C 85 38.821 38.821 40.016 -1.195 19732 9150 1 17 . 1 1 85 85 ASP H H 85 7.164 7.164 8.280 -1.116 19732 9151 1 17 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.409 -0.003 19732 9152 1 17 . 1 1 87 87 PRO C C 87 177.572 177.572 176.705 0.867 19732 9153 1 17 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.700 0.459 19732 9154 1 17 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.848 0.412 19732 9155 1 17 . 1 1 88 88 LEU N N 88 122.410 122.410 126.536 -4.126 19732 9156 1 17 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.067 -0.136 19732 9157 1 17 . 1 1 88 88 LEU C C 88 179.214 179.214 178.206 1.008 19732 9158 1 17 . 1 1 88 88 LEU CA C 88 57.281 57.281 56.248 1.033 19732 9159 1 17 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.188 -1.107 19732 9160 1 17 . 1 1 88 88 LEU H H 88 8.271 8.271 8.450 -0.179 19732 9161 1 17 . 1 1 91 91 GLU N N 91 121.224 121.224 122.573 -1.349 19732 9162 1 17 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.095 -0.558 19732 9163 1 17 . 1 1 91 91 GLU C C 91 176.926 176.926 177.257 -0.331 19732 9164 1 17 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.464 1.615 19732 9165 1 17 . 1 1 91 91 GLU CB C 91 29.485 29.485 28.384 1.101 19732 9166 1 17 . 1 1 91 91 GLU H H 91 7.775 7.775 8.801 -1.026 19732 9167 1 17 . 1 1 92 92 ILE N N 92 115.836 115.836 120.624 -4.788 19732 9168 1 17 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.113 -0.203 19732 9169 1 17 . 1 1 92 92 ILE C C 92 177.704 177.704 175.656 2.048 19732 9170 1 17 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.474 1.556 19732 9171 1 17 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.849 -0.398 19732 9172 1 17 . 1 1 92 92 ILE H H 92 8.259 8.259 8.500 -0.241 19732 9173 1 17 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.228 -0.111 19732 9174 1 17 . 1 1 93 93 PRO C C 93 178.653 178.653 177.834 0.819 19732 9175 1 17 . 1 1 93 93 PRO CA C 93 66.003 66.003 65.898 0.105 19732 9176 1 17 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.185 -0.049 19732 9177 1 17 . 1 1 94 94 LEU N N 94 114.952 114.952 116.307 -1.355 19732 9178 1 17 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.280 -0.154 19732 9179 1 17 . 1 1 94 94 LEU C C 94 180.119 180.119 179.721 0.398 19732 9180 1 17 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.220 0.565 19732 9181 1 17 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.653 1.107 19732 9182 1 17 . 1 1 94 94 LEU H H 94 7.657 7.657 7.661 -0.004 19732 9183 1 17 . 1 1 95 95 VAL N N 95 119.986 119.986 120.420 -0.434 19732 9184 1 17 . 1 1 95 95 VAL HA H 95 4.008 4.008 3.912 0.096 19732 9185 1 17 . 1 1 95 95 VAL C C 95 177.559 177.559 177.442 0.117 19732 9186 1 17 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.346 0.320 19732 9187 1 17 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.838 -0.124 19732 9188 1 17 . 1 1 95 95 VAL H H 95 8.873 8.873 8.702 0.171 19732 9189 1 17 . 1 1 96 96 SER N N 96 111.863 111.863 114.948 -3.085 19732 9190 1 17 . 1 1 96 96 SER HA H 96 4.598 4.598 4.495 0.103 19732 9191 1 17 . 1 1 96 96 SER C C 96 175.113 175.113 176.583 -1.470 19732 9192 1 17 . 1 1 96 96 SER CA C 96 59.163 59.163 60.498 -1.335 19732 9193 1 17 . 1 1 96 96 SER CB C 96 63.552 63.552 62.795 0.757 19732 9194 1 17 . 1 1 96 96 SER H H 96 7.823 7.823 8.437 -0.614 19732 9195 1 17 . 1 1 97 97 ILE N N 97 120.300 120.300 122.010 -1.710 19732 9196 1 17 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.084 -0.265 19732 9197 1 17 . 1 1 97 97 ILE C C 97 174.601 174.601 176.753 -2.152 19732 9198 1 17 . 1 1 97 97 ILE CA C 97 63.804 63.804 64.057 -0.253 19732 9199 1 17 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.814 0.245 19732 9200 1 17 . 1 1 97 97 ILE H H 97 7.014 7.014 7.776 -0.762 19732 9201 1 17 . 1 1 98 98 TRP N N 98 120.222 120.222 119.276 0.946 19732 9202 1 17 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.579 -0.517 19732 9203 1 17 . 1 1 98 98 TRP C C 98 176.502 176.502 175.044 1.458 19732 9204 1 17 . 1 1 98 98 TRP CA C 98 57.790 57.790 57.131 0.659 19732 9205 1 17 . 1 1 98 98 TRP CB C 98 28.963 28.963 31.645 -2.682 19732 9206 1 17 . 1 1 98 98 TRP H H 98 7.651 7.651 7.817 -0.166 19732 9207 1 17 . 1 1 99 99 GLY N N 99 109.003 109.003 109.707 -0.704 19732 9208 1 17 . 1 1 99 99 GLY C C 99 170.846 170.846 172.038 -1.192 19732 9209 1 17 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.534 1.103 19732 9210 1 17 . 1 1 99 99 GLY H H 99 7.240 7.240 7.981 -0.741 19732 9211 1 17 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.617 -0.318 19732 9212 1 17 . 1 1 100 100 PRO C C 100 176.200 176.200 176.074 0.126 19732 9213 1 17 . 1 1 100 100 PRO CA C 100 63.004 63.004 61.485 1.519 19732 9214 1 17 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.471 0.337 19732 9215 1 18 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.510 -0.100 19732 9216 1 18 . 1 1 2 2 PRO C C 2 176.929 176.929 176.027 0.902 19732 9217 1 18 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.424 -0.283 19732 9218 1 18 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.227 0.007 19732 9219 1 18 . 1 1 3 3 LEU N N 3 121.746 121.746 120.497 1.249 19732 9220 1 18 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.212 0.065 19732 9221 1 18 . 1 1 3 3 LEU C C 3 177.789 177.789 177.243 0.546 19732 9222 1 18 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.481 0.886 19732 9223 1 18 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.073 0.084 19732 9224 1 18 . 1 1 3 3 LEU H H 3 8.420 8.420 7.620 0.800 19732 9225 1 18 . 1 1 4 4 GLY N N 4 109.400 109.400 112.165 -2.765 19732 9226 1 18 . 1 1 4 4 GLY C C 4 174.208 174.208 174.714 -0.506 19732 9227 1 18 . 1 1 4 4 GLY CA C 4 45.255 45.255 44.465 0.791 19732 9228 1 18 . 1 1 4 4 GLY H H 4 8.326 8.326 7.923 0.403 19732 9229 1 18 . 1 1 5 5 SER N N 5 115.339 115.339 121.599 -6.260 19732 9230 1 18 . 1 1 5 5 SER HA H 5 4.363 4.363 4.014 0.349 19732 9231 1 18 . 1 1 5 5 SER C C 5 174.549 174.549 174.873 -0.324 19732 9232 1 18 . 1 1 5 5 SER CA C 5 58.443 58.443 60.781 -2.338 19732 9233 1 18 . 1 1 5 5 SER CB C 5 63.773 63.773 62.696 1.077 19732 9234 1 18 . 1 1 5 5 SER H H 5 8.098 8.098 8.701 -0.603 19732 9235 1 18 . 1 1 6 6 MET N N 6 121.404 121.404 115.081 6.323 19732 9236 1 18 . 1 1 6 6 MET HA H 6 4.427 4.427 4.102 0.325 19732 9237 1 18 . 1 1 6 6 MET C C 6 175.724 175.724 175.417 0.307 19732 9238 1 18 . 1 1 6 6 MET CA C 6 55.612 55.612 56.293 -0.681 19732 9239 1 18 . 1 1 6 6 MET CB C 6 32.874 32.874 30.536 2.338 19732 9240 1 18 . 1 1 6 6 MET H H 6 8.326 8.326 8.211 0.115 19732 9241 1 18 . 1 1 7 7 ASP N N 7 120.769 120.769 119.882 0.887 19732 9242 1 18 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.669 -0.152 19732 9243 1 18 . 1 1 7 7 ASP C C 7 176.111 176.111 176.616 -0.505 19732 9244 1 18 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.904 -0.767 19732 9245 1 18 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.494 0.791 19732 9246 1 18 . 1 1 7 7 ASP H H 7 8.114 8.114 8.017 0.097 19732 9247 1 18 . 1 1 8 8 ALA N N 8 123.543 123.543 121.269 2.274 19732 9248 1 18 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.278 -0.219 19732 9249 1 18 . 1 1 8 8 ALA C C 8 178.788 178.788 178.712 0.076 19732 9250 1 18 . 1 1 8 8 ALA CA C 8 53.931 53.931 53.846 0.085 19732 9251 1 18 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.732 0.195 19732 9252 1 18 . 1 1 8 8 ALA H H 8 8.248 8.248 7.982 0.266 19732 9253 1 18 . 1 1 9 9 GLU N N 9 118.034 118.034 119.145 -1.111 19732 9254 1 18 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.915 0.211 19732 9255 1 18 . 1 1 9 9 GLU C C 9 177.485 177.485 178.632 -1.147 19732 9256 1 18 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.460 -1.620 19732 9257 1 18 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.853 0.749 19732 9258 1 18 . 1 1 9 9 GLU H H 9 8.255 8.255 7.857 0.398 19732 9259 1 18 . 1 1 10 10 SER N N 10 115.260 115.260 115.180 0.080 19732 9260 1 18 . 1 1 10 10 SER HA H 10 4.232 4.232 4.214 0.018 19732 9261 1 18 . 1 1 10 10 SER C C 10 175.552 175.552 175.708 -0.156 19732 9262 1 18 . 1 1 10 10 SER CA C 10 60.015 60.015 61.095 -1.080 19732 9263 1 18 . 1 1 10 10 SER CB C 10 63.225 63.225 62.969 0.256 19732 9264 1 18 . 1 1 10 10 SER H H 10 7.992 7.992 8.113 -0.121 19732 9265 1 18 . 1 1 11 11 ILE N N 11 121.199 121.199 120.246 0.953 19732 9266 1 18 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.047 -0.157 19732 9267 1 18 . 1 1 11 11 ILE C C 11 176.411 176.411 177.455 -1.044 19732 9268 1 18 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.946 -0.196 19732 9269 1 18 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.353 -0.080 19732 9270 1 18 . 1 1 11 11 ILE H H 11 7.729 7.729 7.556 0.173 19732 9271 1 18 . 1 1 12 12 ARG N N 12 121.248 121.248 118.278 2.970 19732 9272 1 18 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.426 -0.313 19732 9273 1 18 . 1 1 12 12 ARG C C 12 176.970 176.970 176.275 0.695 19732 9274 1 18 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.106 0.971 19732 9275 1 18 . 1 1 12 12 ARG CB C 12 30.496 30.496 31.500 -1.004 19732 9276 1 18 . 1 1 12 12 ARG H H 12 7.853 7.853 7.611 0.242 19732 9277 1 18 . 1 1 13 13 LEU N N 13 120.701 120.701 117.284 3.417 19732 9278 1 18 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.977 0.241 19732 9279 1 18 . 1 1 13 13 LEU C C 13 177.620 177.620 176.040 1.580 19732 9280 1 18 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.929 -0.632 19732 9281 1 18 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.611 1.563 19732 9282 1 18 . 1 1 13 13 LEU H H 13 8.020 8.020 8.598 -0.578 19732 9283 1 18 . 1 1 16 16 GLU N N 16 120.417 120.417 123.154 -2.737 19732 9284 1 18 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.155 -0.030 19732 9285 1 18 . 1 1 16 16 GLU C C 16 178.929 178.929 178.263 0.666 19732 9286 1 18 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.551 0.054 19732 9287 1 18 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.912 -0.521 19732 9288 1 18 . 1 1 16 16 GLU H H 16 8.465 8.465 9.020 -0.555 19732 9289 1 18 . 1 1 17 17 ASN N N 17 118.855 118.855 118.789 0.066 19732 9290 1 18 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.586 0.033 19732 9291 1 18 . 1 1 17 17 ASN C C 17 177.835 177.835 177.391 0.444 19732 9292 1 18 . 1 1 17 17 ASN CA C 17 55.538 55.538 55.942 -0.404 19732 9293 1 18 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.593 -0.382 19732 9294 1 18 . 1 1 17 17 ASN H H 17 8.428 8.428 8.931 -0.503 19732 9295 1 18 . 1 1 18 18 LEU N N 18 123.972 123.972 121.580 2.392 19732 9296 1 18 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.262 -0.042 19732 9297 1 18 . 1 1 18 18 LEU C C 18 178.248 178.248 177.939 0.309 19732 9298 1 18 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.700 0.185 19732 9299 1 18 . 1 1 18 18 LEU CB C 18 41.697 41.697 42.067 -0.370 19732 9300 1 18 . 1 1 18 18 LEU H H 18 8.208 8.208 7.619 0.589 19732 9301 1 18 . 1 1 19 19 TRP N N 19 119.362 119.362 121.463 -2.101 19732 9302 1 18 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.304 -0.138 19732 9303 1 18 . 1 1 19 19 TRP C C 19 177.617 177.617 177.283 0.334 19732 9304 1 18 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.282 0.614 19732 9305 1 18 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.664 -0.237 19732 9306 1 18 . 1 1 19 19 TRP H H 19 8.316 8.316 7.877 0.439 19732 9307 1 18 . 1 1 20 20 ALA N N 20 118.581 118.581 121.731 -3.150 19732 9308 1 18 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.809 0.241 19732 9309 1 18 . 1 1 20 20 ALA C C 20 180.422 180.422 179.040 1.382 19732 9310 1 18 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.171 -0.007 19732 9311 1 18 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.833 0.207 19732 9312 1 18 . 1 1 20 20 ALA H H 20 7.957 7.957 8.015 -0.058 19732 9313 1 18 . 1 1 21 21 TRP N N 21 119.753 119.753 120.816 -1.063 19732 9314 1 18 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.236 -0.343 19732 9315 1 18 . 1 1 21 21 TRP C C 21 177.494 177.494 177.759 -0.265 19732 9316 1 18 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.919 2.179 19732 9317 1 18 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.810 -1.167 19732 9318 1 18 . 1 1 21 21 TRP H H 21 8.043 8.043 8.143 -0.100 19732 9319 1 18 . 1 1 22 22 LEU N N 22 122.136 122.136 120.493 1.643 19732 9320 1 18 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.545 -0.106 19732 9321 1 18 . 1 1 22 22 LEU C C 22 178.075 178.075 178.437 -0.362 19732 9322 1 18 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.946 -0.191 19732 9323 1 18 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.500 0.470 19732 9324 1 18 . 1 1 22 22 LEU H H 22 8.553 8.553 8.127 0.426 19732 9325 1 18 . 1 1 23 23 VAL N N 23 118.034 118.034 119.017 -0.983 19732 9326 1 18 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.257 0.056 19732 9327 1 18 . 1 1 23 23 VAL C C 23 178.401 178.401 177.984 0.417 19732 9328 1 18 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.147 -0.023 19732 9329 1 18 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.971 0.329 19732 9330 1 18 . 1 1 23 23 VAL H H 23 8.341 8.341 8.210 0.131 19732 9331 1 18 . 1 1 24 24 ARG N N 24 120.377 120.377 118.395 1.982 19732 9332 1 18 . 1 1 24 24 ARG HA H 24 3.814 3.814 4.026 -0.212 19732 9333 1 18 . 1 1 24 24 ARG C C 24 179.205 179.205 178.857 0.348 19732 9334 1 18 . 1 1 24 24 ARG CA C 24 60.104 60.104 57.520 2.584 19732 9335 1 18 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.447 0.589 19732 9336 1 18 . 1 1 24 24 ARG H H 24 7.856 7.856 8.037 -0.181 19732 9337 1 18 . 1 1 25 25 LEU N N 25 121.668 121.668 121.035 0.633 19732 9338 1 18 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.916 -0.253 19732 9339 1 18 . 1 1 25 25 LEU C C 25 179.943 179.943 179.219 0.724 19732 9340 1 18 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.373 0.675 19732 9341 1 18 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.759 0.269 19732 9342 1 18 . 1 1 25 25 LEU H H 25 7.838 7.838 7.854 -0.016 19732 9343 1 18 . 1 1 26 26 LEU N N 26 118.308 118.308 118.301 0.007 19732 9344 1 18 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.034 -0.123 19732 9345 1 18 . 1 1 26 26 LEU C C 26 179.471 179.471 179.352 0.119 19732 9346 1 18 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.523 -0.049 19732 9347 1 18 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.999 0.030 19732 9348 1 18 . 1 1 26 26 LEU H H 26 8.247 8.247 8.200 0.047 19732 9349 1 18 . 1 1 27 27 SER N N 27 115.768 115.768 114.979 0.789 19732 9350 1 18 . 1 1 27 27 SER HA H 27 4.020 4.020 4.188 -0.168 19732 9351 1 18 . 1 1 27 27 SER C C 27 174.990 174.990 174.854 0.136 19732 9352 1 18 . 1 1 27 27 SER CA C 27 61.755 61.755 61.571 0.184 19732 9353 1 18 . 1 1 27 27 SER CB C 27 62.755 62.755 62.417 0.338 19732 9354 1 18 . 1 1 27 27 SER H H 27 8.436 8.436 8.085 0.351 19732 9355 1 18 . 1 1 28 28 LYS N N 28 117.644 117.644 118.930 -1.286 19732 9356 1 18 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.311 0.003 19732 9357 1 18 . 1 1 28 28 LYS C C 28 175.979 175.979 176.256 -0.277 19732 9358 1 18 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.711 -0.523 19732 9359 1 18 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.578 0.213 19732 9360 1 18 . 1 1 28 28 LYS H H 28 7.014 7.014 7.449 -0.435 19732 9361 1 18 . 1 1 29 29 ASN N N 29 118.347 118.347 117.994 0.353 19732 9362 1 18 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.191 0.091 19732 9363 1 18 . 1 1 29 29 ASN C C 29 171.835 171.835 173.311 -1.476 19732 9364 1 18 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.368 0.957 19732 9365 1 18 . 1 1 29 29 ASN CB C 29 41.626 41.626 38.966 2.660 19732 9366 1 18 . 1 1 29 29 ASN H H 29 7.611 7.611 7.762 -0.151 19732 9367 1 18 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.522 -0.071 19732 9368 1 18 . 1 1 30 30 PRO C C 30 179.560 179.560 177.886 1.674 19732 9369 1 18 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.895 0.974 19732 9370 1 18 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.979 -0.577 19732 9371 1 18 . 1 1 31 31 GLU N N 31 119.636 119.636 118.156 1.480 19732 9372 1 18 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.209 -0.083 19732 9373 1 18 . 1 1 31 31 GLU C C 31 179.253 179.253 178.970 0.283 19732 9374 1 18 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.539 0.133 19732 9375 1 18 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.947 -0.582 19732 9376 1 18 . 1 1 31 31 GLU H H 31 8.593 8.593 8.959 -0.366 19732 9377 1 18 . 1 1 32 32 TRP N N 32 122.293 122.293 122.225 0.068 19732 9378 1 18 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.505 -0.472 19732 9379 1 18 . 1 1 32 32 TRP C C 32 178.055 178.055 178.161 -0.106 19732 9380 1 18 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.177 1.679 19732 9381 1 18 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.732 -0.616 19732 9382 1 18 . 1 1 32 32 TRP H H 32 7.933 7.933 7.333 0.600 19732 9383 1 18 . 1 1 33 33 LEU N N 33 117.409 117.409 121.110 -3.701 19732 9384 1 18 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.568 0.322 19732 9385 1 18 . 1 1 33 33 LEU C C 33 177.934 177.934 178.718 -0.784 19732 9386 1 18 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.916 0.262 19732 9387 1 18 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.368 0.190 19732 9388 1 18 . 1 1 33 33 LEU H H 33 8.012 8.012 8.533 -0.521 19732 9389 1 18 . 1 1 34 34 SER N N 34 113.257 113.257 114.638 -1.381 19732 9390 1 18 . 1 1 34 34 SER HA H 34 3.975 3.975 4.096 -0.121 19732 9391 1 18 . 1 1 34 34 SER C C 34 176.363 176.363 176.516 -0.153 19732 9392 1 18 . 1 1 34 34 SER CA C 34 62.194 62.194 61.893 0.301 19732 9393 1 18 . 1 1 34 34 SER CB C 34 62.739 62.739 62.654 0.085 19732 9394 1 18 . 1 1 34 34 SER H H 34 8.335 8.335 8.352 -0.017 19732 9395 1 18 . 1 1 35 35 ALA N N 35 121.511 121.511 125.240 -3.729 19732 9396 1 18 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.901 0.056 19732 9397 1 18 . 1 1 35 35 ALA C C 35 180.728 180.728 179.425 1.303 19732 9398 1 18 . 1 1 35 35 ALA CA C 35 54.889 54.889 55.209 -0.320 19732 9399 1 18 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.263 -0.488 19732 9400 1 18 . 1 1 35 35 ALA H H 35 7.391 7.391 7.292 0.099 19732 9401 1 18 . 1 1 36 36 LYS N N 36 118.386 118.386 118.216 0.170 19732 9402 1 18 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.021 -0.187 19732 9403 1 18 . 1 1 36 36 LYS C C 36 179.578 179.578 179.086 0.492 19732 9404 1 18 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.875 -1.278 19732 9405 1 18 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.743 -1.260 19732 9406 1 18 . 1 1 36 36 LYS H H 36 7.823 7.823 7.488 0.335 19732 9407 1 18 . 1 1 37 37 LEU N N 37 119.480 119.480 120.104 -0.624 19732 9408 1 18 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.015 -0.125 19732 9409 1 18 . 1 1 37 37 LEU C C 37 178.529 178.529 178.625 -0.096 19732 9410 1 18 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.799 -0.152 19732 9411 1 18 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.374 -0.226 19732 9412 1 18 . 1 1 37 37 LEU H H 37 8.725 8.725 8.549 0.176 19732 9413 1 18 . 1 1 38 38 ARG N N 38 115.612 115.612 117.310 -1.698 19732 9414 1 18 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.051 -0.054 19732 9415 1 18 . 1 1 38 38 ARG C C 38 177.661 177.661 177.788 -0.127 19732 9416 1 18 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.326 0.186 19732 9417 1 18 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.367 0.568 19732 9418 1 18 . 1 1 38 38 ARG H H 38 7.446 7.446 8.238 -0.792 19732 9419 1 18 . 1 1 39 39 SER N N 39 111.883 111.883 114.845 -2.962 19732 9420 1 18 . 1 1 39 39 SER HA H 39 4.160 4.160 4.179 -0.019 19732 9421 1 18 . 1 1 39 39 SER C C 39 175.401 175.401 175.353 0.048 19732 9422 1 18 . 1 1 39 39 SER CA C 39 60.359 60.359 61.029 -0.669 19732 9423 1 18 . 1 1 39 39 SER CB C 39 63.228 63.228 63.133 0.095 19732 9424 1 18 . 1 1 39 39 SER H H 39 7.353 7.353 7.422 -0.069 19732 9425 1 18 . 1 1 40 40 PHE N N 40 117.136 117.136 118.923 -1.787 19732 9426 1 18 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.386 0.228 19732 9427 1 18 . 1 1 40 40 PHE C C 40 175.852 175.852 176.188 -0.336 19732 9428 1 18 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.069 -0.360 19732 9429 1 18 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.418 2.276 19732 9430 1 18 . 1 1 40 40 PHE H H 40 7.792 7.792 7.766 0.026 19732 9431 1 18 . 1 1 41 41 LEU N N 41 119.050 119.050 119.660 -0.610 19732 9432 1 18 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.755 0.122 19732 9433 1 18 . 1 1 41 41 LEU C C 41 174.510 174.510 176.497 -1.987 19732 9434 1 18 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.856 -0.764 19732 9435 1 18 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.740 0.297 19732 9436 1 18 . 1 1 41 41 LEU H H 41 8.114 8.114 8.082 0.032 19732 9437 1 18 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.565 -0.263 19732 9438 1 18 . 1 1 42 42 PRO C C 42 177.620 177.620 176.951 0.669 19732 9439 1 18 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.060 -0.289 19732 9440 1 18 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.329 -0.648 19732 9441 1 18 . 1 1 43 43 THR N N 43 109.752 109.752 110.341 -0.589 19732 9442 1 18 . 1 1 43 43 THR HA H 43 4.256 4.256 4.568 -0.312 19732 9443 1 18 . 1 1 43 43 THR C C 43 174.467 174.467 174.016 0.451 19732 9444 1 18 . 1 1 43 43 THR CA C 43 61.657 61.657 59.874 1.783 19732 9445 1 18 . 1 1 43 43 THR CB C 43 69.450 69.450 68.490 0.960 19732 9446 1 18 . 1 1 43 43 THR H H 43 7.671 7.671 7.990 -0.319 19732 9447 1 18 . 1 1 44 44 MET N N 44 121.568 121.568 120.981 0.587 19732 9448 1 18 . 1 1 44 44 MET HA H 44 4.363 4.363 4.313 0.050 19732 9449 1 18 . 1 1 44 44 MET C C 44 175.373 175.373 175.515 -0.142 19732 9450 1 18 . 1 1 44 44 MET CA C 44 55.710 55.710 55.532 0.178 19732 9451 1 18 . 1 1 44 44 MET CB C 44 32.989 32.989 30.916 2.073 19732 9452 1 18 . 1 1 44 44 MET H H 44 8.037 8.037 7.613 0.424 19732 9453 1 18 . 1 1 45 45 ASP N N 45 121.980 121.980 126.423 -4.443 19732 9454 1 18 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.869 -0.348 19732 9455 1 18 . 1 1 45 45 ASP C C 45 176.022 176.022 176.164 -0.142 19732 9456 1 18 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.826 0.545 19732 9457 1 18 . 1 1 45 45 ASP CB C 45 41.147 41.147 41.546 -0.399 19732 9458 1 18 . 1 1 45 45 ASP H H 45 8.230 8.230 8.161 0.070 19732 9459 1 18 . 1 1 46 46 LEU N N 46 122.192 122.192 120.567 1.625 19732 9460 1 18 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.504 -0.360 19732 9461 1 18 . 1 1 46 46 LEU C C 46 177.018 177.018 176.640 0.378 19732 9462 1 18 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.903 0.010 19732 9463 1 18 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.168 0.008 19732 9464 1 18 . 1 1 46 46 LEU H H 46 8.028 8.028 8.048 -0.020 19732 9465 1 18 . 1 1 47 47 ASP N N 47 120.573 120.573 116.640 3.933 19732 9466 1 18 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.452 0.073 19732 9467 1 18 . 1 1 47 47 ASP C C 47 176.370 176.370 176.021 0.349 19732 9468 1 18 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.334 -0.127 19732 9469 1 18 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.194 0.960 19732 9470 1 18 . 1 1 47 47 ASP H H 47 8.238 8.238 8.243 -0.005 19732 9471 1 18 . 1 1 48 48 CYS N N 48 118.464 118.464 119.619 -1.155 19732 9472 1 18 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.587 -0.158 19732 9473 1 18 . 1 1 48 48 CYS C C 48 174.340 174.340 174.553 -0.213 19732 9474 1 18 . 1 1 48 48 CYS CA C 48 58.513 58.513 57.953 0.560 19732 9475 1 18 . 1 1 48 48 CYS CB C 48 27.953 27.953 26.518 1.435 19732 9476 1 18 . 1 1 48 48 CYS H H 48 8.068 8.068 7.735 0.333 19732 9477 1 18 . 1 1 49 49 SER N N 49 116.784 116.784 117.536 -0.752 19732 9478 1 18 . 1 1 49 49 SER HA H 49 4.302 4.302 4.025 0.277 19732 9479 1 18 . 1 1 49 49 SER C C 49 173.897 173.897 174.558 -0.661 19732 9480 1 18 . 1 1 49 49 SER CA C 49 58.718 58.718 58.309 0.409 19732 9481 1 18 . 1 1 49 49 SER CB C 49 63.636 63.636 62.336 1.300 19732 9482 1 18 . 1 1 49 49 SER H H 49 8.185 8.185 7.966 0.219 19732 9483 1 18 . 1 1 50 50 TYR N N 50 120.886 120.886 122.823 -1.937 19732 9484 1 18 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.414 0.098 19732 9485 1 18 . 1 1 50 50 TYR C C 50 174.818 174.818 176.427 -1.609 19732 9486 1 18 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.327 -0.841 19732 9487 1 18 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.109 0.687 19732 9488 1 18 . 1 1 50 50 TYR H H 50 7.776 7.776 7.004 0.772 19732 9489 1 18 . 1 1 51 51 GLU N N 51 122.800 122.800 118.293 4.507 19732 9490 1 18 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.703 -0.148 19732 9491 1 18 . 1 1 51 51 GLU C C 51 174.508 174.508 174.216 0.292 19732 9492 1 18 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.145 0.783 19732 9493 1 18 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.912 -1.687 19732 9494 1 18 . 1 1 51 51 GLU H H 51 8.026 8.026 7.666 0.360 19732 9495 1 18 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.398 -0.096 19732 9496 1 18 . 1 1 52 52 PRO C C 52 176.065 176.065 177.365 -1.300 19732 9497 1 18 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.920 0.764 19732 9498 1 18 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.232 -0.669 19732 9499 1 18 . 1 1 53 53 SER N N 53 110.611 110.611 114.729 -4.118 19732 9500 1 18 . 1 1 53 53 SER HA H 53 4.302 4.302 4.272 0.030 19732 9501 1 18 . 1 1 53 53 SER C C 53 173.858 173.858 173.452 0.406 19732 9502 1 18 . 1 1 53 53 SER CA C 53 58.508 58.508 58.323 0.185 19732 9503 1 18 . 1 1 53 53 SER CB C 53 63.636 63.636 61.613 2.023 19732 9504 1 18 . 1 1 53 53 SER H H 53 7.934 7.934 8.454 -0.520 19732 9505 1 18 . 1 1 54 54 ASN N N 54 121.155 121.155 122.451 -1.296 19732 9506 1 18 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.804 0.074 19732 9507 1 18 . 1 1 54 54 ASN C C 54 174.167 174.167 174.920 -0.753 19732 9508 1 18 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.957 -1.486 19732 9509 1 18 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.769 0.235 19732 9510 1 18 . 1 1 54 54 ASN H H 54 7.666 7.666 7.739 -0.073 19732 9511 1 18 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.239 -0.210 19732 9512 1 18 . 1 1 55 55 PRO C C 55 177.787 177.787 178.492 -0.705 19732 9513 1 18 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.912 -0.326 19732 9514 1 18 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.062 0.301 19732 9515 1 18 . 1 1 56 56 GLU N N 56 117.292 117.292 117.512 -0.220 19732 9516 1 18 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.337 -0.267 19732 9517 1 18 . 1 1 56 56 GLU C C 56 179.258 179.258 179.280 -0.022 19732 9518 1 18 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.323 0.149 19732 9519 1 18 . 1 1 56 56 GLU CB C 56 29.124 29.124 29.201 -0.077 19732 9520 1 18 . 1 1 56 56 GLU H H 56 8.153 8.153 8.889 -0.736 19732 9521 1 18 . 1 1 57 57 VAL N N 57 120.730 120.730 121.156 -0.426 19732 9522 1 18 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.810 -0.242 19732 9523 1 18 . 1 1 57 57 VAL C C 57 178.039 178.039 177.988 0.051 19732 9524 1 18 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.256 -0.291 19732 9525 1 18 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.608 0.377 19732 9526 1 18 . 1 1 57 57 VAL H H 57 7.556 7.556 7.351 0.205 19732 9527 1 18 . 1 1 58 58 ILE N N 58 119.892 119.892 119.745 0.147 19732 9528 1 18 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.941 -0.231 19732 9529 1 18 . 1 1 58 58 ILE C C 58 178.096 178.096 178.337 -0.241 19732 9530 1 18 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.537 1.675 19732 9531 1 18 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.382 0.936 19732 9532 1 18 . 1 1 58 58 ILE H H 58 7.784 7.784 8.188 -0.404 19732 9533 1 18 . 1 1 59 59 HIS N N 59 117.644 117.644 119.584 -1.940 19732 9534 1 18 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.265 -0.118 19732 9535 1 18 . 1 1 59 59 HIS C C 59 177.576 177.576 177.658 -0.082 19732 9536 1 18 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.523 0.972 19732 9537 1 18 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.319 -0.040 19732 9538 1 18 . 1 1 59 59 HIS H H 59 8.350 8.350 8.429 -0.079 19732 9539 1 18 . 1 1 60 60 ARG N N 60 118.248 118.248 119.320 -1.072 19732 9540 1 18 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.938 0.108 19732 9541 1 18 . 1 1 60 60 ARG C C 60 179.642 179.642 178.507 1.135 19732 9542 1 18 . 1 1 60 60 ARG CA C 60 59.946 59.946 60.072 -0.126 19732 9543 1 18 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.974 0.333 19732 9544 1 18 . 1 1 60 60 ARG H H 60 7.776 7.776 7.986 -0.210 19732 9545 1 18 . 1 1 61 61 GLN N N 61 119.475 119.475 118.419 1.056 19732 9546 1 18 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.051 0.015 19732 9547 1 18 . 1 1 61 61 GLN C C 61 178.650 178.650 178.511 0.139 19732 9548 1 18 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.876 0.149 19732 9549 1 18 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.439 -0.287 19732 9550 1 18 . 1 1 61 61 GLN H H 61 8.460 8.460 7.545 0.915 19732 9551 1 18 . 1 1 62 62 LEU N N 62 117.882 117.882 119.615 -1.733 19732 9552 1 18 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.170 -0.042 19732 9553 1 18 . 1 1 62 62 LEU C C 62 179.260 179.260 179.042 0.218 19732 9554 1 18 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.812 1.183 19732 9555 1 18 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.294 0.337 19732 9556 1 18 . 1 1 62 62 LEU H H 62 8.742 8.742 8.445 0.297 19732 9557 1 18 . 1 1 63 63 ASN N N 63 117.409 117.409 118.268 -0.859 19732 9558 1 18 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.316 -0.086 19732 9559 1 18 . 1 1 63 63 ASN C C 63 178.050 178.050 177.624 0.426 19732 9560 1 18 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.450 0.215 19732 9561 1 18 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.592 0.086 19732 9562 1 18 . 1 1 63 63 ASN H H 63 8.279 8.279 8.419 -0.140 19732 9563 1 18 . 1 1 64 64 ARG N N 64 119.753 119.753 119.791 -0.038 19732 9564 1 18 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.074 -0.032 19732 9565 1 18 . 1 1 64 64 ARG C C 64 178.914 178.914 178.736 0.178 19732 9566 1 18 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.805 0.055 19732 9567 1 18 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.743 0.026 19732 9568 1 18 . 1 1 64 64 ARG H H 64 7.784 7.784 7.836 -0.052 19732 9569 1 18 . 1 1 65 65 LEU N N 65 120.009 120.009 119.545 0.464 19732 9570 1 18 . 1 1 65 65 LEU HA H 65 3.939 3.939 3.997 -0.058 19732 9571 1 18 . 1 1 65 65 LEU C C 65 178.481 178.481 179.237 -0.756 19732 9572 1 18 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.629 0.678 19732 9573 1 18 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.402 1.055 19732 9574 1 18 . 1 1 65 65 LEU H H 65 7.779 7.779 7.538 0.241 19732 9575 1 18 . 1 1 66 66 PHE N N 66 118.503 118.503 120.156 -1.653 19732 9576 1 18 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.061 -0.086 19732 9577 1 18 . 1 1 66 66 PHE C C 66 178.269 178.269 177.221 1.048 19732 9578 1 18 . 1 1 66 66 PHE CA C 66 60.837 60.837 61.799 -0.962 19732 9579 1 18 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.763 -0.012 19732 9580 1 18 . 1 1 66 66 PHE H H 66 8.287 8.287 8.324 -0.037 19732 9581 1 18 . 1 1 67 67 ALA N N 67 119.206 119.206 120.317 -1.111 19732 9582 1 18 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.255 -0.356 19732 9583 1 18 . 1 1 67 67 ALA C C 67 178.876 178.876 179.431 -0.555 19732 9584 1 18 . 1 1 67 67 ALA CA C 67 53.658 53.658 54.180 -0.522 19732 9585 1 18 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.285 -0.244 19732 9586 1 18 . 1 1 67 67 ALA H H 67 7.902 7.902 7.829 0.073 19732 9587 1 18 . 1 1 68 68 GLN N N 68 115.534 115.534 118.872 -3.338 19732 9588 1 18 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.228 -0.113 19732 9589 1 18 . 1 1 68 68 GLN C C 68 177.274 177.274 176.932 0.342 19732 9590 1 18 . 1 1 68 68 GLN CA C 68 56.396 56.396 57.844 -1.448 19732 9591 1 18 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.876 -1.035 19732 9592 1 18 . 1 1 68 68 GLN H H 68 7.572 7.572 8.159 -0.587 19732 9593 1 18 . 1 1 69 69 GLY N N 69 106.861 106.861 104.902 1.959 19732 9594 1 18 . 1 1 69 69 GLY C C 69 173.690 173.690 173.441 0.249 19732 9595 1 18 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.292 -1.405 19732 9596 1 18 . 1 1 69 69 GLY H H 69 7.486 7.486 8.216 -0.730 19732 9597 1 18 . 1 1 70 70 MET N N 70 119.355 119.355 121.228 -1.873 19732 9598 1 18 . 1 1 70 70 MET HA H 70 4.117 4.117 3.606 0.511 19732 9599 1 18 . 1 1 70 70 MET C C 70 177.743 177.743 176.494 1.249 19732 9600 1 18 . 1 1 70 70 MET CA C 70 57.396 57.396 58.068 -0.672 19732 9601 1 18 . 1 1 70 70 MET CB C 70 30.638 30.638 31.732 -1.094 19732 9602 1 18 . 1 1 70 70 MET H H 70 8.245 8.245 8.229 0.016 19732 9603 1 18 . 1 1 71 71 ALA N N 71 120.691 120.691 122.857 -2.166 19732 9604 1 18 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.009 0.054 19732 9605 1 18 . 1 1 71 71 ALA C C 71 181.027 181.027 179.844 1.183 19732 9606 1 18 . 1 1 71 71 ALA CA C 71 55.642 55.642 55.097 0.545 19732 9607 1 18 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.289 -0.724 19732 9608 1 18 . 1 1 71 71 ALA H H 71 8.624 8.624 7.917 0.707 19732 9609 1 18 . 1 1 72 72 THR N N 72 116.354 116.354 114.474 1.880 19732 9610 1 18 . 1 1 72 72 THR HA H 72 3.825 3.825 4.033 -0.208 19732 9611 1 18 . 1 1 72 72 THR C C 72 174.861 174.861 176.192 -1.331 19732 9612 1 18 . 1 1 72 72 THR CA C 72 66.992 66.992 66.468 0.524 19732 9613 1 18 . 1 1 72 72 THR CB C 72 68.355 68.355 68.635 -0.280 19732 9614 1 18 . 1 1 72 72 THR H H 72 7.525 7.525 7.954 -0.429 19732 9615 1 18 . 1 1 73 73 TRP N N 73 122.292 122.292 122.563 -0.271 19732 9616 1 18 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.338 -0.007 19732 9617 1 18 . 1 1 73 73 TRP C C 73 176.757 176.757 177.501 -0.744 19732 9618 1 18 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.159 -0.600 19732 9619 1 18 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.970 0.386 19732 9620 1 18 . 1 1 73 73 TRP H H 73 8.090 8.090 8.179 -0.089 19732 9621 1 18 . 1 1 74 74 LYS N N 74 115.768 115.768 118.967 -3.199 19732 9622 1 18 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.923 -0.184 19732 9623 1 18 . 1 1 74 74 LYS C C 74 178.957 178.957 179.187 -0.230 19732 9624 1 18 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.543 -0.110 19732 9625 1 18 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.161 0.161 19732 9626 1 18 . 1 1 74 74 LYS H H 74 9.001 9.001 7.873 1.128 19732 9627 1 18 . 1 1 75 75 SER N N 75 115.378 115.378 115.701 -0.323 19732 9628 1 18 . 1 1 75 75 SER HA H 75 4.211 4.211 4.295 -0.084 19732 9629 1 18 . 1 1 75 75 SER C C 75 175.465 175.465 176.685 -1.220 19732 9630 1 18 . 1 1 75 75 SER CA C 75 61.999 61.999 62.051 -0.052 19732 9631 1 18 . 1 1 75 75 SER CB C 75 63.160 63.160 63.352 -0.192 19732 9632 1 18 . 1 1 75 75 SER H H 75 7.604 7.604 7.857 -0.253 19732 9633 1 18 . 1 1 76 76 PHE N N 76 121.707 121.707 123.419 -1.712 19732 9634 1 18 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.173 -0.157 19732 9635 1 18 . 1 1 76 76 PHE C C 76 175.983 175.983 177.133 -1.150 19732 9636 1 18 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.388 0.094 19732 9637 1 18 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.785 -0.506 19732 9638 1 18 . 1 1 76 76 PHE H H 76 8.200 8.200 8.142 0.058 19732 9639 1 18 . 1 1 77 77 ILE N N 77 117.448 117.448 118.426 -0.978 19732 9640 1 18 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.449 -0.118 19732 9641 1 18 . 1 1 77 77 ILE C C 77 177.919 177.919 178.528 -0.609 19732 9642 1 18 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.520 -3.026 19732 9643 1 18 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.237 -1.515 19732 9644 1 18 . 1 1 77 77 ILE H H 77 8.193 8.193 8.639 -0.446 19732 9645 1 18 . 1 1 78 78 ASN N N 78 119.831 119.831 120.517 -0.686 19732 9646 1 18 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.631 -0.413 19732 9647 1 18 . 1 1 78 78 ASN C C 78 177.228 177.228 177.700 -0.472 19732 9648 1 18 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.544 1.247 19732 9649 1 18 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.560 0.744 19732 9650 1 18 . 1 1 78 78 ASN H H 78 8.224 8.224 8.238 -0.014 19732 9651 1 18 . 1 1 79 79 ASP N N 79 119.402 119.402 120.712 -1.310 19732 9652 1 18 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.625 -0.136 19732 9653 1 18 . 1 1 79 79 ASP C C 79 177.600 177.600 178.217 -0.617 19732 9654 1 18 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.926 -0.351 19732 9655 1 18 . 1 1 79 79 ASP CB C 79 39.917 39.917 41.291 -1.374 19732 9656 1 18 . 1 1 79 79 ASP H H 79 8.028 8.028 7.691 0.337 19732 9657 1 18 . 1 1 80 80 LEU N N 80 122.293 122.293 122.397 -0.104 19732 9658 1 18 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.479 0.009 19732 9659 1 18 . 1 1 80 80 LEU C C 80 178.561 178.561 178.127 0.434 19732 9660 1 18 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.160 1.172 19732 9661 1 18 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.306 1.074 19732 9662 1 18 . 1 1 80 80 LEU H H 80 8.491 8.491 8.268 0.223 19732 9663 1 18 . 1 1 81 81 CYS N N 81 114.479 114.479 115.431 -0.952 19732 9664 1 18 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.157 -0.226 19732 9665 1 18 . 1 1 81 81 CYS C C 81 176.754 176.754 177.498 -0.744 19732 9666 1 18 . 1 1 81 81 CYS CA C 81 63.543 63.543 61.518 2.025 19732 9667 1 18 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.490 0.167 19732 9668 1 18 . 1 1 81 81 CYS H H 81 8.169 8.169 8.274 -0.105 19732 9669 1 18 . 1 1 82 82 PHE N N 82 115.964 115.964 122.459 -6.495 19732 9670 1 18 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.275 0.047 19732 9671 1 18 . 1 1 82 82 PHE C C 82 178.485 178.485 177.613 0.872 19732 9672 1 18 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.384 -0.508 19732 9673 1 18 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.492 0.339 19732 9674 1 18 . 1 1 82 82 PHE H H 82 7.863 7.863 7.469 0.394 19732 9675 1 18 . 1 1 83 83 GLU N N 83 116.314 116.314 118.015 -1.701 19732 9676 1 18 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.220 -0.175 19732 9677 1 18 . 1 1 83 83 GLU C C 83 177.877 177.877 177.730 0.147 19732 9678 1 18 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.004 0.741 19732 9679 1 18 . 1 1 83 83 GLU CB C 83 30.278 30.278 29.876 0.402 19732 9680 1 18 . 1 1 83 83 GLU H H 83 9.049 9.049 8.724 0.325 19732 9681 1 18 . 1 1 84 84 LEU N N 84 116.042 116.042 118.804 -2.762 19732 9682 1 18 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.053 0.184 19732 9683 1 18 . 1 1 84 84 LEU C C 84 175.868 175.868 176.349 -0.481 19732 9684 1 18 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.234 -0.577 19732 9685 1 18 . 1 1 84 84 LEU CB C 84 40.104 40.104 40.556 -0.452 19732 9686 1 18 . 1 1 84 84 LEU H H 84 7.713 7.713 7.315 0.398 19732 9687 1 18 . 1 1 85 85 ASP N N 85 116.940 116.940 115.631 1.309 19732 9688 1 18 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.094 0.156 19732 9689 1 18 . 1 1 85 85 ASP C C 85 174.424 174.424 176.383 -1.959 19732 9690 1 18 . 1 1 85 85 ASP CA C 85 54.685 54.685 57.112 -2.427 19732 9691 1 18 . 1 1 85 85 ASP CB C 85 38.821 38.821 39.590 -0.770 19732 9692 1 18 . 1 1 85 85 ASP H H 85 7.164 7.164 7.656 -0.492 19732 9693 1 18 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.465 -0.059 19732 9694 1 18 . 1 1 87 87 PRO C C 87 177.572 177.572 176.346 1.226 19732 9695 1 18 . 1 1 87 87 PRO CA C 87 63.159 63.159 62.772 0.387 19732 9696 1 18 . 1 1 87 87 PRO CB C 87 32.260 32.260 32.299 -0.039 19732 9697 1 18 . 1 1 88 88 LEU N N 88 122.410 122.410 124.319 -1.909 19732 9698 1 18 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.225 -0.294 19732 9699 1 18 . 1 1 88 88 LEU C C 88 179.214 179.214 178.644 0.570 19732 9700 1 18 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.649 1.632 19732 9701 1 18 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.403 -1.323 19732 9702 1 18 . 1 1 88 88 LEU H H 88 8.271 8.271 8.732 -0.461 19732 9703 1 18 . 1 1 91 91 GLU N N 91 121.224 121.224 122.154 -0.930 19732 9704 1 18 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.144 -0.607 19732 9705 1 18 . 1 1 91 91 GLU C C 91 176.926 176.926 177.949 -1.023 19732 9706 1 18 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.366 1.713 19732 9707 1 18 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.401 0.084 19732 9708 1 18 . 1 1 91 91 GLU H H 91 7.775 7.775 8.067 -0.292 19732 9709 1 18 . 1 1 92 92 ILE N N 92 115.836 115.836 121.369 -5.533 19732 9710 1 18 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.048 -0.138 19732 9711 1 18 . 1 1 92 92 ILE C C 92 177.704 177.704 175.812 1.892 19732 9712 1 18 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.609 1.421 19732 9713 1 18 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.864 -0.413 19732 9714 1 18 . 1 1 92 92 ILE H H 92 8.259 8.259 8.356 -0.097 19732 9715 1 18 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.496 -0.379 19732 9716 1 18 . 1 1 93 93 PRO C C 93 178.653 178.653 179.461 -0.808 19732 9717 1 18 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.254 -0.251 19732 9718 1 18 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.533 -0.397 19732 9719 1 18 . 1 1 94 94 LEU N N 94 114.952 114.952 116.320 -1.368 19732 9720 1 18 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.364 -0.238 19732 9721 1 18 . 1 1 94 94 LEU C C 94 180.119 180.119 179.219 0.900 19732 9722 1 18 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.786 -0.001 19732 9723 1 18 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.401 1.359 19732 9724 1 18 . 1 1 94 94 LEU H H 94 7.657 7.657 7.511 0.146 19732 9725 1 18 . 1 1 95 95 VAL N N 95 119.986 119.986 120.640 -0.654 19732 9726 1 18 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.486 -0.478 19732 9727 1 18 . 1 1 95 95 VAL C C 95 177.559 177.559 178.027 -0.468 19732 9728 1 18 . 1 1 95 95 VAL CA C 95 66.666 66.666 65.261 1.405 19732 9729 1 18 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.986 -0.272 19732 9730 1 18 . 1 1 95 95 VAL H H 95 8.873 8.873 8.284 0.589 19732 9731 1 18 . 1 1 96 96 SER N N 96 111.863 111.863 116.551 -4.688 19732 9732 1 18 . 1 1 96 96 SER HA H 96 4.598 4.598 4.338 0.260 19732 9733 1 18 . 1 1 96 96 SER C C 96 175.113 175.113 176.932 -1.819 19732 9734 1 18 . 1 1 96 96 SER CA C 96 59.163 59.163 60.270 -1.107 19732 9735 1 18 . 1 1 96 96 SER CB C 96 63.552 63.552 62.277 1.275 19732 9736 1 18 . 1 1 96 96 SER H H 96 7.823 7.823 8.864 -1.041 19732 9737 1 18 . 1 1 97 97 ILE N N 97 120.300 120.300 122.040 -1.740 19732 9738 1 18 . 1 1 97 97 ILE HA H 97 3.819 3.819 4.210 -0.391 19732 9739 1 18 . 1 1 97 97 ILE C C 97 174.601 174.601 175.627 -1.026 19732 9740 1 18 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.624 1.180 19732 9741 1 18 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.419 0.640 19732 9742 1 18 . 1 1 97 97 ILE H H 97 7.014 7.014 7.564 -0.550 19732 9743 1 18 . 1 1 98 98 TRP N N 98 120.222 120.222 120.548 -0.326 19732 9744 1 18 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.727 -0.665 19732 9745 1 18 . 1 1 98 98 TRP C C 98 176.502 176.502 175.227 1.275 19732 9746 1 18 . 1 1 98 98 TRP CA C 98 57.790 57.790 55.557 2.233 19732 9747 1 18 . 1 1 98 98 TRP CB C 98 28.963 28.963 30.739 -1.776 19732 9748 1 18 . 1 1 98 98 TRP H H 98 7.651 7.651 7.745 -0.094 19732 9749 1 18 . 1 1 99 99 GLY N N 99 109.003 109.003 108.390 0.613 19732 9750 1 18 . 1 1 99 99 GLY C C 99 170.846 170.846 172.080 -1.234 19732 9751 1 18 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.801 0.836 19732 9752 1 18 . 1 1 99 99 GLY H H 99 7.240 7.240 7.637 -0.397 19732 9753 1 18 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.542 -0.243 19732 9754 1 18 . 1 1 100 100 PRO C C 100 176.200 176.200 176.068 0.132 19732 9755 1 18 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.229 -0.225 19732 9756 1 18 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.495 0.313 19732 9757 1 19 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.604 -0.194 19732 9758 1 19 . 1 1 2 2 PRO C C 2 176.929 176.929 176.788 0.141 19732 9759 1 19 . 1 1 2 2 PRO CA C 2 63.141 63.141 61.753 1.388 19732 9760 1 19 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.708 -0.474 19732 9761 1 19 . 1 1 3 3 LEU N N 3 121.746 121.746 120.572 1.174 19732 9762 1 19 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.017 0.260 19732 9763 1 19 . 1 1 3 3 LEU C C 3 177.789 177.789 177.935 -0.146 19732 9764 1 19 . 1 1 3 3 LEU CA C 3 55.367 55.367 56.152 -0.785 19732 9765 1 19 . 1 1 3 3 LEU CB C 3 42.157 42.157 40.614 1.544 19732 9766 1 19 . 1 1 3 3 LEU H H 3 8.420 8.420 8.376 0.044 19732 9767 1 19 . 1 1 4 4 GLY N N 4 109.400 109.400 112.974 -3.574 19732 9768 1 19 . 1 1 4 4 GLY C C 4 174.208 174.208 174.785 -0.577 19732 9769 1 19 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.112 0.143 19732 9770 1 19 . 1 1 4 4 GLY H H 4 8.326 8.326 9.644 -1.318 19732 9771 1 19 . 1 1 5 5 SER N N 5 115.339 115.339 121.758 -6.419 19732 9772 1 19 . 1 1 5 5 SER HA H 5 4.363 4.363 4.548 -0.185 19732 9773 1 19 . 1 1 5 5 SER C C 5 174.549 174.549 174.823 -0.274 19732 9774 1 19 . 1 1 5 5 SER CA C 5 58.443 58.443 60.057 -1.614 19732 9775 1 19 . 1 1 5 5 SER CB C 5 63.773 63.773 63.379 0.394 19732 9776 1 19 . 1 1 5 5 SER H H 5 8.098 8.098 8.222 -0.124 19732 9777 1 19 . 1 1 6 6 MET N N 6 121.404 121.404 120.843 0.561 19732 9778 1 19 . 1 1 6 6 MET HA H 6 4.427 4.427 4.242 0.185 19732 9779 1 19 . 1 1 6 6 MET C C 6 175.724 175.724 174.493 1.231 19732 9780 1 19 . 1 1 6 6 MET CA C 6 55.612 55.612 56.529 -0.917 19732 9781 1 19 . 1 1 6 6 MET CB C 6 32.874 32.874 31.900 0.974 19732 9782 1 19 . 1 1 6 6 MET H H 6 8.326 8.326 8.738 -0.412 19732 9783 1 19 . 1 1 7 7 ASP N N 7 120.769 120.769 117.588 3.181 19732 9784 1 19 . 1 1 7 7 ASP HA H 7 4.517 4.517 5.113 -0.596 19732 9785 1 19 . 1 1 7 7 ASP C C 7 176.111 176.111 176.241 -0.130 19732 9786 1 19 . 1 1 7 7 ASP CA C 7 54.136 54.136 53.983 0.152 19732 9787 1 19 . 1 1 7 7 ASP CB C 7 41.285 41.285 41.663 -0.378 19732 9788 1 19 . 1 1 7 7 ASP H H 7 8.114 8.114 7.805 0.309 19732 9789 1 19 . 1 1 8 8 ALA N N 8 123.543 123.543 121.976 1.567 19732 9790 1 19 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.262 -0.203 19732 9791 1 19 . 1 1 8 8 ALA C C 8 178.788 178.788 178.602 0.186 19732 9792 1 19 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.549 -0.618 19732 9793 1 19 . 1 1 8 8 ALA CB C 8 18.927 18.927 19.024 -0.097 19732 9794 1 19 . 1 1 8 8 ALA H H 8 8.248 8.248 7.951 0.297 19732 9795 1 19 . 1 1 9 9 GLU N N 9 118.034 118.034 118.851 -0.817 19732 9796 1 19 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.957 0.169 19732 9797 1 19 . 1 1 9 9 GLU C C 9 177.485 177.485 178.152 -0.667 19732 9798 1 19 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.248 -1.408 19732 9799 1 19 . 1 1 9 9 GLU CB C 9 29.602 29.602 27.997 1.605 19732 9800 1 19 . 1 1 9 9 GLU H H 9 8.255 8.255 8.817 -0.562 19732 9801 1 19 . 1 1 10 10 SER N N 10 115.260 115.260 114.351 0.909 19732 9802 1 19 . 1 1 10 10 SER HA H 10 4.232 4.232 4.256 -0.024 19732 9803 1 19 . 1 1 10 10 SER C C 10 175.552 175.552 175.394 0.158 19732 9804 1 19 . 1 1 10 10 SER CA C 10 60.015 60.015 61.093 -1.078 19732 9805 1 19 . 1 1 10 10 SER CB C 10 63.225 63.225 62.931 0.294 19732 9806 1 19 . 1 1 10 10 SER H H 10 7.992 7.992 8.255 -0.263 19732 9807 1 19 . 1 1 11 11 ILE N N 11 121.199 121.199 120.287 0.912 19732 9808 1 19 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.036 -0.146 19732 9809 1 19 . 1 1 11 11 ILE C C 11 176.411 176.411 177.448 -1.037 19732 9810 1 19 . 1 1 11 11 ILE CA C 11 62.750 62.750 63.182 -0.432 19732 9811 1 19 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.547 -0.274 19732 9812 1 19 . 1 1 11 11 ILE H H 11 7.729 7.729 7.335 0.394 19732 9813 1 19 . 1 1 12 12 ARG N N 12 121.248 121.248 117.781 3.467 19732 9814 1 19 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.418 -0.305 19732 9815 1 19 . 1 1 12 12 ARG C C 12 176.970 176.970 176.267 0.703 19732 9816 1 19 . 1 1 12 12 ARG CA C 12 57.077 57.077 54.563 2.514 19732 9817 1 19 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.363 0.133 19732 9818 1 19 . 1 1 12 12 ARG H H 12 7.853 7.853 8.450 -0.597 19732 9819 1 19 . 1 1 13 13 LEU N N 13 120.701 120.701 122.057 -1.356 19732 9820 1 19 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.135 0.083 19732 9821 1 19 . 1 1 13 13 LEU C C 13 177.620 177.620 175.647 1.973 19732 9822 1 19 . 1 1 13 13 LEU CA C 13 55.297 55.297 56.273 -0.976 19732 9823 1 19 . 1 1 13 13 LEU CB C 13 42.174 42.174 42.331 -0.157 19732 9824 1 19 . 1 1 13 13 LEU H H 13 8.020 8.020 7.485 0.535 19732 9825 1 19 . 1 1 16 16 GLU N N 16 120.417 120.417 120.429 -0.012 19732 9826 1 19 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.082 0.043 19732 9827 1 19 . 1 1 16 16 GLU C C 16 178.929 178.929 179.041 -0.112 19732 9828 1 19 . 1 1 16 16 GLU CA C 16 59.605 59.605 60.544 -0.939 19732 9829 1 19 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.510 -0.119 19732 9830 1 19 . 1 1 16 16 GLU H H 16 8.465 8.465 8.858 -0.393 19732 9831 1 19 . 1 1 17 17 ASN N N 17 118.855 118.855 119.015 -0.160 19732 9832 1 19 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.562 0.057 19732 9833 1 19 . 1 1 17 17 ASN C C 17 177.835 177.835 177.901 -0.066 19732 9834 1 19 . 1 1 17 17 ASN CA C 17 55.538 55.538 55.937 -0.399 19732 9835 1 19 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.429 -0.218 19732 9836 1 19 . 1 1 17 17 ASN H H 17 8.428 8.428 8.021 0.407 19732 9837 1 19 . 1 1 18 18 LEU N N 18 123.972 123.972 122.193 1.779 19732 9838 1 19 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.212 0.008 19732 9839 1 19 . 1 1 18 18 LEU C C 18 178.248 178.248 177.941 0.307 19732 9840 1 19 . 1 1 18 18 LEU CA C 18 57.885 57.885 58.083 -0.198 19732 9841 1 19 . 1 1 18 18 LEU CB C 18 41.697 41.697 42.125 -0.428 19732 9842 1 19 . 1 1 18 18 LEU H H 18 8.208 8.208 8.079 0.129 19732 9843 1 19 . 1 1 19 19 TRP N N 19 119.362 119.362 121.145 -1.783 19732 9844 1 19 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.070 0.096 19732 9845 1 19 . 1 1 19 19 TRP C C 19 177.617 177.617 177.625 -0.008 19732 9846 1 19 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.809 0.087 19732 9847 1 19 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.614 -0.187 19732 9848 1 19 . 1 1 19 19 TRP H H 19 8.316 8.316 8.607 -0.291 19732 9849 1 19 . 1 1 20 20 ALA N N 20 118.581 118.581 121.576 -2.995 19732 9850 1 19 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.859 0.191 19732 9851 1 19 . 1 1 20 20 ALA C C 20 180.422 180.422 179.068 1.354 19732 9852 1 19 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.230 -0.066 19732 9853 1 19 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.867 0.173 19732 9854 1 19 . 1 1 20 20 ALA H H 20 7.957 7.957 8.524 -0.567 19732 9855 1 19 . 1 1 21 21 TRP N N 21 119.753 119.753 120.634 -0.881 19732 9856 1 19 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.213 -0.320 19732 9857 1 19 . 1 1 21 21 TRP C C 21 177.494 177.494 177.723 -0.229 19732 9858 1 19 . 1 1 21 21 TRP CA C 21 62.098 62.098 59.800 2.298 19732 9859 1 19 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.736 -1.093 19732 9860 1 19 . 1 1 21 21 TRP H H 21 8.043 8.043 8.374 -0.331 19732 9861 1 19 . 1 1 22 22 LEU N N 22 122.136 122.136 120.491 1.645 19732 9862 1 19 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.147 0.292 19732 9863 1 19 . 1 1 22 22 LEU C C 22 178.075 178.075 178.354 -0.279 19732 9864 1 19 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.696 0.059 19732 9865 1 19 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.298 0.672 19732 9866 1 19 . 1 1 22 22 LEU H H 22 8.553 8.553 8.026 0.527 19732 9867 1 19 . 1 1 23 23 VAL N N 23 118.034 118.034 119.101 -1.067 19732 9868 1 19 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.245 0.068 19732 9869 1 19 . 1 1 23 23 VAL C C 23 178.401 178.401 177.880 0.521 19732 9870 1 19 . 1 1 23 23 VAL CA C 23 67.124 67.124 67.201 -0.077 19732 9871 1 19 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.130 0.171 19732 9872 1 19 . 1 1 23 23 VAL H H 23 8.341 8.341 8.064 0.277 19732 9873 1 19 . 1 1 24 24 ARG N N 24 120.377 120.377 118.956 1.421 19732 9874 1 19 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.826 -0.012 19732 9875 1 19 . 1 1 24 24 ARG C C 24 179.205 179.205 178.882 0.323 19732 9876 1 19 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.531 0.573 19732 9877 1 19 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.125 -0.089 19732 9878 1 19 . 1 1 24 24 ARG H H 24 7.856 7.856 7.870 -0.014 19732 9879 1 19 . 1 1 25 25 LEU N N 25 121.668 121.668 121.041 0.627 19732 9880 1 19 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.811 -0.148 19732 9881 1 19 . 1 1 25 25 LEU C C 25 179.943 179.943 178.014 1.929 19732 9882 1 19 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.636 0.412 19732 9883 1 19 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.889 0.139 19732 9884 1 19 . 1 1 25 25 LEU H H 25 7.838 7.838 7.801 0.037 19732 9885 1 19 . 1 1 26 26 LEU N N 26 118.308 118.308 115.480 2.828 19732 9886 1 19 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.043 -0.132 19732 9887 1 19 . 1 1 26 26 LEU C C 26 179.471 179.471 178.516 0.955 19732 9888 1 19 . 1 1 26 26 LEU CA C 26 57.473 57.473 56.932 0.541 19732 9889 1 19 . 1 1 26 26 LEU CB C 26 41.029 41.029 41.696 -0.667 19732 9890 1 19 . 1 1 26 26 LEU H H 26 8.247 8.247 8.041 0.206 19732 9891 1 19 . 1 1 27 27 SER N N 27 115.768 115.768 111.507 4.261 19732 9892 1 19 . 1 1 27 27 SER HA H 27 4.020 4.020 4.235 -0.215 19732 9893 1 19 . 1 1 27 27 SER C C 27 174.990 174.990 175.406 -0.416 19732 9894 1 19 . 1 1 27 27 SER CA C 27 61.755 61.755 59.944 1.811 19732 9895 1 19 . 1 1 27 27 SER CB C 27 62.755 62.755 63.128 -0.373 19732 9896 1 19 . 1 1 27 27 SER H H 27 8.436 8.436 7.782 0.654 19732 9897 1 19 . 1 1 28 28 LYS N N 28 117.644 117.644 117.827 -0.183 19732 9898 1 19 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.284 0.030 19732 9899 1 19 . 1 1 28 28 LYS C C 28 175.979 175.979 176.100 -0.121 19732 9900 1 19 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.952 -0.765 19732 9901 1 19 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.793 -0.002 19732 9902 1 19 . 1 1 28 28 LYS H H 28 7.014 7.014 7.186 -0.172 19732 9903 1 19 . 1 1 29 29 ASN N N 29 118.347 118.347 116.360 1.987 19732 9904 1 19 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.228 0.054 19732 9905 1 19 . 1 1 29 29 ASN C C 29 171.835 171.835 173.570 -1.735 19732 9906 1 19 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.739 0.586 19732 9907 1 19 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.201 2.425 19732 9908 1 19 . 1 1 29 29 ASN H H 29 7.611 7.611 7.272 0.339 19732 9909 1 19 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.487 -0.036 19732 9910 1 19 . 1 1 30 30 PRO C C 30 179.560 179.560 178.154 1.406 19732 9911 1 19 . 1 1 30 30 PRO CA C 30 65.869 65.869 64.821 1.048 19732 9912 1 19 . 1 1 30 30 PRO CB C 30 31.402 31.402 32.022 -0.620 19732 9913 1 19 . 1 1 31 31 GLU N N 31 119.636 119.636 118.497 1.139 19732 9914 1 19 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.101 0.025 19732 9915 1 19 . 1 1 31 31 GLU C C 31 179.253 179.253 178.358 0.895 19732 9916 1 19 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.767 -0.095 19732 9917 1 19 . 1 1 31 31 GLU CB C 31 28.365 28.365 28.932 -0.567 19732 9918 1 19 . 1 1 31 31 GLU H H 31 8.593 8.593 8.784 -0.191 19732 9919 1 19 . 1 1 32 32 TRP N N 32 122.293 122.293 122.091 0.202 19732 9920 1 19 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.407 -0.374 19732 9921 1 19 . 1 1 32 32 TRP C C 32 178.055 178.055 177.884 0.171 19732 9922 1 19 . 1 1 32 32 TRP CA C 32 61.856 61.856 61.080 0.777 19732 9923 1 19 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.790 -0.674 19732 9924 1 19 . 1 1 32 32 TRP H H 32 7.933 7.933 7.748 0.185 19732 9925 1 19 . 1 1 33 33 LEU N N 33 117.409 117.409 120.230 -2.821 19732 9926 1 19 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.648 0.242 19732 9927 1 19 . 1 1 33 33 LEU C C 33 177.934 177.934 178.900 -0.966 19732 9928 1 19 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.800 0.378 19732 9929 1 19 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.120 0.438 19732 9930 1 19 . 1 1 33 33 LEU H H 33 8.012 8.012 8.331 -0.319 19732 9931 1 19 . 1 1 34 34 SER N N 34 113.257 113.257 115.455 -2.198 19732 9932 1 19 . 1 1 34 34 SER HA H 34 3.975 3.975 3.999 -0.024 19732 9933 1 19 . 1 1 34 34 SER C C 34 176.363 176.363 176.480 -0.117 19732 9934 1 19 . 1 1 34 34 SER CA C 34 62.194 62.194 62.295 -0.101 19732 9935 1 19 . 1 1 34 34 SER CB C 34 62.739 62.739 62.429 0.310 19732 9936 1 19 . 1 1 34 34 SER H H 34 8.335 8.335 8.409 -0.074 19732 9937 1 19 . 1 1 35 35 ALA N N 35 121.511 121.511 123.425 -1.914 19732 9938 1 19 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.915 0.042 19732 9939 1 19 . 1 1 35 35 ALA C C 35 180.728 180.728 179.614 1.114 19732 9940 1 19 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.964 -0.075 19732 9941 1 19 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.133 -0.358 19732 9942 1 19 . 1 1 35 35 ALA H H 35 7.391 7.391 7.352 0.039 19732 9943 1 19 . 1 1 36 36 LYS N N 36 118.386 118.386 117.794 0.592 19732 9944 1 19 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.991 -0.157 19732 9945 1 19 . 1 1 36 36 LYS C C 36 179.578 179.578 179.197 0.381 19732 9946 1 19 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.964 -1.367 19732 9947 1 19 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.974 -1.490 19732 9948 1 19 . 1 1 36 36 LYS H H 36 7.823 7.823 7.243 0.580 19732 9949 1 19 . 1 1 37 37 LEU N N 37 119.480 119.480 119.517 -0.037 19732 9950 1 19 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.025 -0.135 19732 9951 1 19 . 1 1 37 37 LEU C C 37 178.529 178.529 178.854 -0.325 19732 9952 1 19 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.275 0.372 19732 9953 1 19 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.312 -0.164 19732 9954 1 19 . 1 1 37 37 LEU H H 37 8.725 8.725 8.546 0.179 19732 9955 1 19 . 1 1 38 38 ARG N N 38 115.612 115.612 116.808 -1.196 19732 9956 1 19 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.018 -0.021 19732 9957 1 19 . 1 1 38 38 ARG C C 38 177.661 177.661 177.507 0.154 19732 9958 1 19 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.028 -0.516 19732 9959 1 19 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.902 0.033 19732 9960 1 19 . 1 1 38 38 ARG H H 38 7.446 7.446 7.872 -0.426 19732 9961 1 19 . 1 1 39 39 SER N N 39 111.883 111.883 112.829 -0.946 19732 9962 1 19 . 1 1 39 39 SER HA H 39 4.160 4.160 4.189 -0.029 19732 9963 1 19 . 1 1 39 39 SER C C 39 175.401 175.401 174.999 0.402 19732 9964 1 19 . 1 1 39 39 SER CA C 39 60.359 60.359 60.530 -0.171 19732 9965 1 19 . 1 1 39 39 SER CB C 39 63.228 63.228 63.370 -0.142 19732 9966 1 19 . 1 1 39 39 SER H H 39 7.353 7.353 7.491 -0.138 19732 9967 1 19 . 1 1 40 40 PHE N N 40 117.136 117.136 118.379 -1.243 19732 9968 1 19 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.525 0.089 19732 9969 1 19 . 1 1 40 40 PHE C C 40 175.852 175.852 175.875 -0.023 19732 9970 1 19 . 1 1 40 40 PHE CA C 40 59.710 59.710 58.761 0.949 19732 9971 1 19 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.936 1.758 19732 9972 1 19 . 1 1 40 40 PHE H H 40 7.792 7.792 7.360 0.432 19732 9973 1 19 . 1 1 41 41 LEU N N 41 119.050 119.050 121.024 -1.974 19732 9974 1 19 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.614 0.263 19732 9975 1 19 . 1 1 41 41 LEU C C 41 174.510 174.510 175.990 -1.480 19732 9976 1 19 . 1 1 41 41 LEU CA C 41 52.092 52.092 53.195 -1.103 19732 9977 1 19 . 1 1 41 41 LEU CB C 41 42.037 42.037 42.003 0.034 19732 9978 1 19 . 1 1 41 41 LEU H H 41 8.114 8.114 8.162 -0.048 19732 9979 1 19 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.573 -0.271 19732 9980 1 19 . 1 1 42 42 PRO C C 42 177.620 177.620 176.894 0.726 19732 9981 1 19 . 1 1 42 42 PRO CA C 42 63.771 63.771 63.856 -0.085 19732 9982 1 19 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.083 -0.402 19732 9983 1 19 . 1 1 43 43 THR N N 43 109.752 109.752 107.411 2.341 19732 9984 1 19 . 1 1 43 43 THR HA H 43 4.256 4.256 4.455 -0.199 19732 9985 1 19 . 1 1 43 43 THR C C 43 174.467 174.467 174.352 0.115 19732 9986 1 19 . 1 1 43 43 THR CA C 43 61.657 61.657 59.666 1.991 19732 9987 1 19 . 1 1 43 43 THR CB C 43 69.450 69.450 68.637 0.813 19732 9988 1 19 . 1 1 43 43 THR H H 43 7.671 7.671 7.787 -0.116 19732 9989 1 19 . 1 1 44 44 MET N N 44 121.568 121.568 123.550 -1.982 19732 9990 1 19 . 1 1 44 44 MET HA H 44 4.363 4.363 4.268 0.095 19732 9991 1 19 . 1 1 44 44 MET C C 44 175.373 175.373 175.113 0.260 19732 9992 1 19 . 1 1 44 44 MET CA C 44 55.710 55.710 56.002 -0.292 19732 9993 1 19 . 1 1 44 44 MET CB C 44 32.989 32.989 31.158 1.831 19732 9994 1 19 . 1 1 44 44 MET H H 44 8.037 8.037 7.727 0.310 19732 9995 1 19 . 1 1 45 45 ASP N N 45 121.980 121.980 126.576 -4.596 19732 9996 1 19 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.909 -0.388 19732 9997 1 19 . 1 1 45 45 ASP C C 45 176.022 176.022 175.633 0.389 19732 9998 1 19 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.808 0.563 19732 9999 1 19 . 1 1 45 45 ASP CB C 45 41.147 41.147 41.432 -0.285 19732 10000 1 19 . 1 1 45 45 ASP H H 45 8.230 8.230 8.380 -0.150 19732 10001 1 19 . 1 1 46 46 LEU N N 46 122.192 122.192 117.401 4.791 19732 10002 1 19 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.483 -0.339 19732 10003 1 19 . 1 1 46 46 LEU C C 46 177.018 177.018 177.610 -0.592 19732 10004 1 19 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.811 0.102 19732 10005 1 19 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.092 0.084 19732 10006 1 19 . 1 1 46 46 LEU H H 46 8.028 8.028 7.358 0.670 19732 10007 1 19 . 1 1 47 47 ASP N N 47 120.573 120.573 119.990 0.583 19732 10008 1 19 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.385 0.140 19732 10009 1 19 . 1 1 47 47 ASP C C 47 176.370 176.370 175.852 0.518 19732 10010 1 19 . 1 1 47 47 ASP CA C 47 54.207 54.207 56.288 -2.081 19732 10011 1 19 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.923 0.231 19732 10012 1 19 . 1 1 47 47 ASP H H 47 8.238 8.238 8.609 -0.371 19732 10013 1 19 . 1 1 48 48 CYS N N 48 118.464 118.464 120.349 -1.885 19732 10014 1 19 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.595 -0.166 19732 10015 1 19 . 1 1 48 48 CYS C C 48 174.340 174.340 173.362 0.978 19732 10016 1 19 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.237 0.276 19732 10017 1 19 . 1 1 48 48 CYS CB C 48 27.953 27.953 28.322 -0.369 19732 10018 1 19 . 1 1 48 48 CYS H H 48 8.068 8.068 7.428 0.640 19732 10019 1 19 . 1 1 49 49 SER N N 49 116.784 116.784 123.669 -6.885 19732 10020 1 19 . 1 1 49 49 SER HA H 49 4.302 4.302 4.456 -0.154 19732 10021 1 19 . 1 1 49 49 SER C C 49 173.897 173.897 174.331 -0.434 19732 10022 1 19 . 1 1 49 49 SER CA C 49 58.718 58.718 56.945 1.773 19732 10023 1 19 . 1 1 49 49 SER CB C 49 63.636 63.636 65.472 -1.837 19732 10024 1 19 . 1 1 49 49 SER H H 49 8.185 8.185 8.672 -0.487 19732 10025 1 19 . 1 1 50 50 TYR N N 50 120.886 120.886 122.862 -1.976 19732 10026 1 19 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.462 0.050 19732 10027 1 19 . 1 1 50 50 TYR C C 50 174.818 174.818 176.033 -1.215 19732 10028 1 19 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.232 -0.746 19732 10029 1 19 . 1 1 50 50 TYR CB C 50 38.796 38.796 37.942 0.854 19732 10030 1 19 . 1 1 50 50 TYR H H 50 7.776 7.776 7.841 -0.065 19732 10031 1 19 . 1 1 51 51 GLU N N 51 122.800 122.800 118.856 3.944 19732 10032 1 19 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.704 -0.149 19732 10033 1 19 . 1 1 51 51 GLU C C 51 174.508 174.508 174.229 0.279 19732 10034 1 19 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.680 0.248 19732 10035 1 19 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.328 -1.103 19732 10036 1 19 . 1 1 51 51 GLU H H 51 8.026 8.026 7.766 0.260 19732 10037 1 19 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.588 -0.286 19732 10038 1 19 . 1 1 52 52 PRO C C 52 176.065 176.065 177.102 -1.037 19732 10039 1 19 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.389 1.295 19732 10040 1 19 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.355 -0.792 19732 10041 1 19 . 1 1 53 53 SER N N 53 110.611 110.611 115.423 -4.812 19732 10042 1 19 . 1 1 53 53 SER HA H 53 4.302 4.302 4.315 -0.013 19732 10043 1 19 . 1 1 53 53 SER C C 53 173.858 173.858 173.714 0.144 19732 10044 1 19 . 1 1 53 53 SER CA C 53 58.508 58.508 58.481 0.027 19732 10045 1 19 . 1 1 53 53 SER CB C 53 63.636 63.636 61.704 1.932 19732 10046 1 19 . 1 1 53 53 SER H H 53 7.934 7.934 8.554 -0.620 19732 10047 1 19 . 1 1 54 54 ASN N N 54 121.155 121.155 122.342 -1.187 19732 10048 1 19 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.777 0.101 19732 10049 1 19 . 1 1 54 54 ASN C C 54 174.167 174.167 175.198 -1.031 19732 10050 1 19 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.358 -0.887 19732 10051 1 19 . 1 1 54 54 ASN CB C 54 39.004 39.004 37.880 1.124 19732 10052 1 19 . 1 1 54 54 ASN H H 54 7.666 7.666 7.978 -0.312 19732 10053 1 19 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.162 -0.133 19732 10054 1 19 . 1 1 55 55 PRO C C 55 177.787 177.787 178.300 -0.513 19732 10055 1 19 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.076 -0.490 19732 10056 1 19 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.921 0.442 19732 10057 1 19 . 1 1 56 56 GLU N N 56 117.292 117.292 116.624 0.668 19732 10058 1 19 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.441 -0.371 19732 10059 1 19 . 1 1 56 56 GLU C C 56 179.258 179.258 178.913 0.345 19732 10060 1 19 . 1 1 56 56 GLU CA C 56 59.472 59.472 58.423 1.049 19732 10061 1 19 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.506 0.618 19732 10062 1 19 . 1 1 56 56 GLU H H 56 8.153 8.153 8.908 -0.755 19732 10063 1 19 . 1 1 57 57 VAL N N 57 120.730 120.730 120.871 -0.141 19732 10064 1 19 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.879 -0.311 19732 10065 1 19 . 1 1 57 57 VAL C C 57 178.039 178.039 177.688 0.351 19732 10066 1 19 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.252 -0.287 19732 10067 1 19 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.623 0.362 19732 10068 1 19 . 1 1 57 57 VAL H H 57 7.556 7.556 7.682 -0.126 19732 10069 1 19 . 1 1 58 58 ILE N N 58 119.892 119.892 121.351 -1.459 19732 10070 1 19 . 1 1 58 58 ILE HA H 58 3.710 3.710 4.011 -0.301 19732 10071 1 19 . 1 1 58 58 ILE C C 58 178.096 178.096 178.149 -0.053 19732 10072 1 19 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.374 1.838 19732 10073 1 19 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.292 1.026 19732 10074 1 19 . 1 1 58 58 ILE H H 58 7.784 7.784 8.512 -0.728 19732 10075 1 19 . 1 1 59 59 HIS N N 59 117.644 117.644 119.921 -2.277 19732 10076 1 19 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.279 -0.132 19732 10077 1 19 . 1 1 59 59 HIS C C 59 177.576 177.576 177.654 -0.078 19732 10078 1 19 . 1 1 59 59 HIS CA C 59 60.495 60.495 59.910 0.585 19732 10079 1 19 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.446 -0.167 19732 10080 1 19 . 1 1 59 59 HIS H H 59 8.350 8.350 8.534 -0.184 19732 10081 1 19 . 1 1 60 60 ARG N N 60 118.248 118.248 119.222 -0.974 19732 10082 1 19 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.856 0.190 19732 10083 1 19 . 1 1 60 60 ARG C C 60 179.642 179.642 178.662 0.980 19732 10084 1 19 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.932 0.014 19732 10085 1 19 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.005 0.302 19732 10086 1 19 . 1 1 60 60 ARG H H 60 7.776 7.776 8.341 -0.565 19732 10087 1 19 . 1 1 61 61 GLN N N 61 119.475 119.475 118.594 0.881 19732 10088 1 19 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.099 -0.033 19732 10089 1 19 . 1 1 61 61 GLN C C 61 178.650 178.650 179.074 -0.424 19732 10090 1 19 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.778 0.247 19732 10091 1 19 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.747 -0.595 19732 10092 1 19 . 1 1 61 61 GLN H H 61 8.460 8.460 7.700 0.760 19732 10093 1 19 . 1 1 62 62 LEU N N 62 117.882 117.882 119.364 -1.482 19732 10094 1 19 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.316 -0.188 19732 10095 1 19 . 1 1 62 62 LEU C C 62 179.260 179.260 178.945 0.315 19732 10096 1 19 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.965 1.030 19732 10097 1 19 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.075 0.556 19732 10098 1 19 . 1 1 62 62 LEU H H 62 8.742 8.742 8.505 0.237 19732 10099 1 19 . 1 1 63 63 ASN N N 63 117.409 117.409 118.881 -1.472 19732 10100 1 19 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.104 0.126 19732 10101 1 19 . 1 1 63 63 ASN C C 63 178.050 178.050 177.475 0.575 19732 10102 1 19 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.836 -0.171 19732 10103 1 19 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.673 0.005 19732 10104 1 19 . 1 1 63 63 ASN H H 63 8.279 8.279 8.702 -0.423 19732 10105 1 19 . 1 1 64 64 ARG N N 64 119.753 119.753 118.889 0.864 19732 10106 1 19 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.037 0.005 19732 10107 1 19 . 1 1 64 64 ARG C C 64 178.914 178.914 178.826 0.088 19732 10108 1 19 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.437 0.423 19732 10109 1 19 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.680 0.089 19732 10110 1 19 . 1 1 64 64 ARG H H 64 7.784 7.784 7.759 0.025 19732 10111 1 19 . 1 1 65 65 LEU N N 65 120.009 120.009 119.572 0.437 19732 10112 1 19 . 1 1 65 65 LEU HA H 65 3.939 3.939 3.976 -0.037 19732 10113 1 19 . 1 1 65 65 LEU C C 65 178.481 178.481 178.683 -0.202 19732 10114 1 19 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.400 0.907 19732 10115 1 19 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.675 0.782 19732 10116 1 19 . 1 1 65 65 LEU H H 65 7.779 7.779 7.366 0.413 19732 10117 1 19 . 1 1 66 66 PHE N N 66 118.503 118.503 119.972 -1.469 19732 10118 1 19 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.232 -0.257 19732 10119 1 19 . 1 1 66 66 PHE C C 66 178.269 178.269 176.158 2.111 19732 10120 1 19 . 1 1 66 66 PHE CA C 66 60.837 60.837 59.768 1.069 19732 10121 1 19 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.633 0.118 19732 10122 1 19 . 1 1 66 66 PHE H H 66 8.287 8.287 7.584 0.703 19732 10123 1 19 . 1 1 67 67 ALA N N 67 119.206 119.206 120.105 -0.899 19732 10124 1 19 . 1 1 67 67 ALA HA H 67 3.899 3.899 3.921 -0.022 19732 10125 1 19 . 1 1 67 67 ALA C C 67 178.876 178.876 179.371 -0.495 19732 10126 1 19 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.809 -0.151 19732 10127 1 19 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.618 -0.577 19732 10128 1 19 . 1 1 67 67 ALA H H 67 7.902 7.902 7.824 0.078 19732 10129 1 19 . 1 1 68 68 GLN N N 68 115.534 115.534 117.039 -1.505 19732 10130 1 19 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.205 -0.090 19732 10131 1 19 . 1 1 68 68 GLN C C 68 177.274 177.274 177.050 0.224 19732 10132 1 19 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.266 0.130 19732 10133 1 19 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.738 -0.897 19732 10134 1 19 . 1 1 68 68 GLN H H 68 7.572 7.572 7.633 -0.061 19732 10135 1 19 . 1 1 69 69 GLY N N 69 106.861 106.861 103.751 3.110 19732 10136 1 19 . 1 1 69 69 GLY C C 69 173.690 173.690 173.467 0.223 19732 10137 1 19 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.955 -1.068 19732 10138 1 19 . 1 1 69 69 GLY H H 69 7.486 7.486 7.681 -0.195 19732 10139 1 19 . 1 1 70 70 MET N N 70 119.355 119.355 120.951 -1.596 19732 10140 1 19 . 1 1 70 70 MET HA H 70 4.117 4.117 4.187 -0.070 19732 10141 1 19 . 1 1 70 70 MET C C 70 177.743 177.743 177.841 -0.098 19732 10142 1 19 . 1 1 70 70 MET CA C 70 57.396 57.396 58.950 -1.554 19732 10143 1 19 . 1 1 70 70 MET CB C 70 30.638 30.638 32.589 -1.951 19732 10144 1 19 . 1 1 70 70 MET H H 70 8.245 8.245 8.637 -0.392 19732 10145 1 19 . 1 1 71 71 ALA N N 71 120.691 120.691 122.862 -2.171 19732 10146 1 19 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.144 -0.081 19732 10147 1 19 . 1 1 71 71 ALA C C 71 181.027 181.027 179.655 1.372 19732 10148 1 19 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.971 0.671 19732 10149 1 19 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.836 -0.271 19732 10150 1 19 . 1 1 71 71 ALA H H 71 8.624 8.624 8.268 0.356 19732 10151 1 19 . 1 1 72 72 THR N N 72 116.354 116.354 115.752 0.602 19732 10152 1 19 . 1 1 72 72 THR HA H 72 3.825 3.825 3.958 -0.133 19732 10153 1 19 . 1 1 72 72 THR C C 72 174.861 174.861 176.406 -1.545 19732 10154 1 19 . 1 1 72 72 THR CA C 72 66.992 66.992 66.668 0.324 19732 10155 1 19 . 1 1 72 72 THR CB C 72 68.355 68.355 68.551 -0.196 19732 10156 1 19 . 1 1 72 72 THR H H 72 7.525 7.525 7.844 -0.319 19732 10157 1 19 . 1 1 73 73 TRP N N 73 122.292 122.292 122.694 -0.402 19732 10158 1 19 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.368 -0.037 19732 10159 1 19 . 1 1 73 73 TRP C C 73 176.757 176.757 177.649 -0.892 19732 10160 1 19 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.373 0.186 19732 10161 1 19 . 1 1 73 73 TRP CB C 73 30.356 30.356 30.212 0.144 19732 10162 1 19 . 1 1 73 73 TRP H H 73 8.090 8.090 8.253 -0.163 19732 10163 1 19 . 1 1 74 74 LYS N N 74 115.768 115.768 119.182 -3.414 19732 10164 1 19 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.995 -0.256 19732 10165 1 19 . 1 1 74 74 LYS C C 74 178.957 178.957 178.904 0.053 19732 10166 1 19 . 1 1 74 74 LYS CA C 74 60.433 60.433 59.950 0.483 19732 10167 1 19 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.138 0.184 19732 10168 1 19 . 1 1 74 74 LYS H H 74 9.001 9.001 8.295 0.706 19732 10169 1 19 . 1 1 75 75 SER N N 75 115.378 115.378 116.930 -1.552 19732 10170 1 19 . 1 1 75 75 SER HA H 75 4.211 4.211 4.245 -0.034 19732 10171 1 19 . 1 1 75 75 SER C C 75 175.465 175.465 176.448 -0.983 19732 10172 1 19 . 1 1 75 75 SER CA C 75 61.999 61.999 62.152 -0.153 19732 10173 1 19 . 1 1 75 75 SER CB C 75 63.160 63.160 63.297 -0.137 19732 10174 1 19 . 1 1 75 75 SER H H 75 7.604 7.604 8.190 -0.586 19732 10175 1 19 . 1 1 76 76 PHE N N 76 121.707 121.707 123.575 -1.868 19732 10176 1 19 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.246 -0.230 19732 10177 1 19 . 1 1 76 76 PHE C C 76 175.983 175.983 176.542 -0.559 19732 10178 1 19 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.248 0.234 19732 10179 1 19 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.916 -0.637 19732 10180 1 19 . 1 1 76 76 PHE H H 76 8.200 8.200 8.227 -0.027 19732 10181 1 19 . 1 1 77 77 ILE N N 77 117.448 117.448 118.371 -0.923 19732 10182 1 19 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.251 0.080 19732 10183 1 19 . 1 1 77 77 ILE C C 77 177.919 177.919 177.997 -0.078 19732 10184 1 19 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.219 -2.725 19732 10185 1 19 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.073 -1.351 19732 10186 1 19 . 1 1 77 77 ILE H H 77 8.193 8.193 8.403 -0.210 19732 10187 1 19 . 1 1 78 78 ASN N N 78 119.831 119.831 118.666 1.165 19732 10188 1 19 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.360 -0.142 19732 10189 1 19 . 1 1 78 78 ASN C C 78 177.228 177.228 177.348 -0.120 19732 10190 1 19 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.907 0.884 19732 10191 1 19 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.523 0.781 19732 10192 1 19 . 1 1 78 78 ASN H H 78 8.224 8.224 8.079 0.145 19732 10193 1 19 . 1 1 79 79 ASP N N 79 119.402 119.402 120.009 -0.607 19732 10194 1 19 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.628 -0.139 19732 10195 1 19 . 1 1 79 79 ASP C C 79 177.600 177.600 178.259 -0.659 19732 10196 1 19 . 1 1 79 79 ASP CA C 79 57.575 57.575 56.762 0.813 19732 10197 1 19 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.877 -0.959 19732 10198 1 19 . 1 1 79 79 ASP H H 79 8.028 8.028 7.465 0.563 19732 10199 1 19 . 1 1 80 80 LEU N N 80 122.293 122.293 121.955 0.338 19732 10200 1 19 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.663 -0.175 19732 10201 1 19 . 1 1 80 80 LEU C C 80 178.561 178.561 178.238 0.323 19732 10202 1 19 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.505 0.827 19732 10203 1 19 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.121 1.259 19732 10204 1 19 . 1 1 80 80 LEU H H 80 8.491 8.491 8.366 0.125 19732 10205 1 19 . 1 1 81 81 CYS N N 81 114.479 114.479 114.434 0.045 19732 10206 1 19 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.046 -0.115 19732 10207 1 19 . 1 1 81 81 CYS C C 81 176.754 176.754 176.367 0.387 19732 10208 1 19 . 1 1 81 81 CYS CA C 81 63.543 63.543 63.207 0.336 19732 10209 1 19 . 1 1 81 81 CYS CB C 81 26.657 26.657 27.413 -0.756 19732 10210 1 19 . 1 1 81 81 CYS H H 81 8.169 8.169 7.780 0.389 19732 10211 1 19 . 1 1 82 82 PHE N N 82 115.964 115.964 120.228 -4.264 19732 10212 1 19 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.262 0.060 19732 10213 1 19 . 1 1 82 82 PHE C C 82 178.485 178.485 177.138 1.347 19732 10214 1 19 . 1 1 82 82 PHE CA C 82 60.876 60.876 60.548 0.327 19732 10215 1 19 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.698 0.133 19732 10216 1 19 . 1 1 82 82 PHE H H 82 7.863 7.863 7.432 0.431 19732 10217 1 19 . 1 1 83 83 GLU N N 83 116.314 116.314 118.424 -2.110 19732 10218 1 19 . 1 1 83 83 GLU HA H 83 4.045 4.045 3.890 0.155 19732 10219 1 19 . 1 1 83 83 GLU C C 83 177.877 177.877 177.723 0.154 19732 10220 1 19 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.455 0.290 19732 10221 1 19 . 1 1 83 83 GLU CB C 83 30.278 30.278 29.938 0.340 19732 10222 1 19 . 1 1 83 83 GLU H H 83 9.049 9.049 8.591 0.458 19732 10223 1 19 . 1 1 84 84 LEU N N 84 116.042 116.042 118.082 -2.040 19732 10224 1 19 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.117 0.120 19732 10225 1 19 . 1 1 84 84 LEU C C 84 175.868 175.868 176.761 -0.893 19732 10226 1 19 . 1 1 84 84 LEU CA C 84 53.657 53.657 54.111 -0.454 19732 10227 1 19 . 1 1 84 84 LEU CB C 84 40.104 40.104 40.867 -0.763 19732 10228 1 19 . 1 1 84 84 LEU H H 84 7.713 7.713 7.306 0.407 19732 10229 1 19 . 1 1 85 85 ASP N N 85 116.940 116.940 118.147 -1.207 19732 10230 1 19 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.040 0.210 19732 10231 1 19 . 1 1 85 85 ASP C C 85 174.424 174.424 176.346 -1.922 19732 10232 1 19 . 1 1 85 85 ASP CA C 85 54.685 54.685 56.794 -2.109 19732 10233 1 19 . 1 1 85 85 ASP CB C 85 38.821 38.821 40.051 -1.230 19732 10234 1 19 . 1 1 85 85 ASP H H 85 7.164 7.164 7.590 -0.426 19732 10235 1 19 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.470 -0.064 19732 10236 1 19 . 1 1 87 87 PRO C C 87 177.572 177.572 176.413 1.159 19732 10237 1 19 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.166 -0.007 19732 10238 1 19 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.824 0.436 19732 10239 1 19 . 1 1 88 88 LEU N N 88 122.410 122.410 125.106 -2.696 19732 10240 1 19 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.189 -0.258 19732 10241 1 19 . 1 1 88 88 LEU C C 88 179.214 179.214 176.908 2.306 19732 10242 1 19 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.147 2.134 19732 10243 1 19 . 1 1 88 88 LEU CB C 88 41.080 41.080 42.354 -1.274 19732 10244 1 19 . 1 1 88 88 LEU H H 88 8.271 8.271 8.675 -0.404 19732 10245 1 19 . 1 1 91 91 GLU N N 91 121.224 121.224 120.166 1.058 19732 10246 1 19 . 1 1 91 91 GLU HA H 91 3.537 3.537 3.955 -0.418 19732 10247 1 19 . 1 1 91 91 GLU C C 91 176.926 176.926 177.441 -0.515 19732 10248 1 19 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.588 1.491 19732 10249 1 19 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.817 -0.332 19732 10250 1 19 . 1 1 91 91 GLU H H 91 7.775 7.775 8.653 -0.878 19732 10251 1 19 . 1 1 92 92 ILE N N 92 115.836 115.836 117.539 -1.703 19732 10252 1 19 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.148 -0.238 19732 10253 1 19 . 1 1 92 92 ILE C C 92 177.704 177.704 175.947 1.757 19732 10254 1 19 . 1 1 92 92 ILE CA C 92 66.030 66.030 63.789 2.241 19732 10255 1 19 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.855 -0.404 19732 10256 1 19 . 1 1 92 92 ILE H H 92 8.259 8.259 8.294 -0.035 19732 10257 1 19 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.244 -0.127 19732 10258 1 19 . 1 1 93 93 PRO C C 93 178.653 178.653 177.958 0.695 19732 10259 1 19 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.080 -0.077 19732 10260 1 19 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.211 -0.075 19732 10261 1 19 . 1 1 94 94 LEU N N 94 114.952 114.952 115.281 -0.329 19732 10262 1 19 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.213 -0.087 19732 10263 1 19 . 1 1 94 94 LEU C C 94 180.119 180.119 179.224 0.895 19732 10264 1 19 . 1 1 94 94 LEU CA C 94 57.785 57.785 58.432 -0.647 19732 10265 1 19 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.858 0.902 19732 10266 1 19 . 1 1 94 94 LEU H H 94 7.657 7.657 8.121 -0.464 19732 10267 1 19 . 1 1 95 95 VAL N N 95 119.986 119.986 119.064 0.922 19732 10268 1 19 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.402 -0.394 19732 10269 1 19 . 1 1 95 95 VAL C C 95 177.559 177.559 177.657 -0.098 19732 10270 1 19 . 1 1 95 95 VAL CA C 95 66.666 66.666 65.877 0.789 19732 10271 1 19 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.980 -0.266 19732 10272 1 19 . 1 1 95 95 VAL H H 95 8.873 8.873 7.854 1.019 19732 10273 1 19 . 1 1 96 96 SER N N 96 111.863 111.863 115.293 -3.430 19732 10274 1 19 . 1 1 96 96 SER HA H 96 4.598 4.598 4.476 0.122 19732 10275 1 19 . 1 1 96 96 SER C C 96 175.113 175.113 175.393 -0.280 19732 10276 1 19 . 1 1 96 96 SER CA C 96 59.163 59.163 60.664 -1.501 19732 10277 1 19 . 1 1 96 96 SER CB C 96 63.552 63.552 62.646 0.906 19732 10278 1 19 . 1 1 96 96 SER H H 96 7.823 7.823 8.580 -0.757 19732 10279 1 19 . 1 1 97 97 ILE N N 97 120.300 120.300 120.851 -0.551 19732 10280 1 19 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.957 -0.138 19732 10281 1 19 . 1 1 97 97 ILE C C 97 174.601 174.601 175.953 -1.352 19732 10282 1 19 . 1 1 97 97 ILE CA C 97 63.804 63.804 63.056 0.748 19732 10283 1 19 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.133 0.926 19732 10284 1 19 . 1 1 97 97 ILE H H 97 7.014 7.014 7.717 -0.703 19732 10285 1 19 . 1 1 98 98 TRP N N 98 120.222 120.222 119.274 0.948 19732 10286 1 19 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.078 -0.016 19732 10287 1 19 . 1 1 98 98 TRP C C 98 176.502 176.502 177.873 -1.371 19732 10288 1 19 . 1 1 98 98 TRP CA C 98 57.790 57.790 59.360 -1.570 19732 10289 1 19 . 1 1 98 98 TRP CB C 98 28.963 28.963 28.611 0.351 19732 10290 1 19 . 1 1 98 98 TRP H H 98 7.651 7.651 7.335 0.316 19732 10291 1 19 . 1 1 99 99 GLY N N 99 109.003 109.003 104.909 4.094 19732 10292 1 19 . 1 1 99 99 GLY C C 99 170.846 170.846 172.426 -1.580 19732 10293 1 19 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.674 -0.037 19732 10294 1 19 . 1 1 99 99 GLY H H 99 7.240 7.240 8.378 -1.138 19732 10295 1 19 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.482 -0.183 19732 10296 1 19 . 1 1 100 100 PRO C C 100 176.200 176.200 176.546 -0.346 19732 10297 1 19 . 1 1 100 100 PRO CA C 100 63.004 63.004 63.606 -0.602 19732 10298 1 19 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.799 0.009 19732 10299 1 20 . 1 1 2 2 PRO HA H 2 4.410 4.410 4.572 -0.162 19732 10300 1 20 . 1 1 2 2 PRO C C 2 176.929 176.929 175.754 1.175 19732 10301 1 20 . 1 1 2 2 PRO CA C 2 63.141 63.141 62.553 0.588 19732 10302 1 20 . 1 1 2 2 PRO CB C 2 32.234 32.234 31.933 0.301 19732 10303 1 20 . 1 1 3 3 LEU N N 3 121.746 121.746 119.684 2.062 19732 10304 1 20 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.102 0.175 19732 10305 1 20 . 1 1 3 3 LEU C C 3 177.789 177.789 177.555 0.234 19732 10306 1 20 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.758 0.609 19732 10307 1 20 . 1 1 3 3 LEU CB C 3 42.157 42.157 40.824 1.333 19732 10308 1 20 . 1 1 3 3 LEU H H 3 8.420 8.420 7.803 0.617 19732 10309 1 20 . 1 1 4 4 GLY N N 4 109.400 109.400 111.564 -2.164 19732 10310 1 20 . 1 1 4 4 GLY C C 4 174.208 174.208 175.548 -1.340 19732 10311 1 20 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.746 -0.491 19732 10312 1 20 . 1 1 4 4 GLY H H 4 8.326 8.326 8.588 -0.262 19732 10313 1 20 . 1 1 5 5 SER N N 5 115.339 115.339 117.962 -2.623 19732 10314 1 20 . 1 1 5 5 SER HA H 5 4.363 4.363 4.496 -0.133 19732 10315 1 20 . 1 1 5 5 SER C C 5 174.549 174.549 174.409 0.140 19732 10316 1 20 . 1 1 5 5 SER CA C 5 58.443 58.443 58.593 -0.150 19732 10317 1 20 . 1 1 5 5 SER CB C 5 63.773 63.773 62.296 1.477 19732 10318 1 20 . 1 1 5 5 SER H H 5 8.098 8.098 8.303 -0.205 19732 10319 1 20 . 1 1 6 6 MET N N 6 121.404 121.404 124.142 -2.738 19732 10320 1 20 . 1 1 6 6 MET HA H 6 4.427 4.427 4.368 0.059 19732 10321 1 20 . 1 1 6 6 MET C C 6 175.724 175.724 175.792 -0.068 19732 10322 1 20 . 1 1 6 6 MET CA C 6 55.612 55.612 57.926 -2.314 19732 10323 1 20 . 1 1 6 6 MET CB C 6 32.874 32.874 33.011 -0.137 19732 10324 1 20 . 1 1 6 6 MET H H 6 8.326 8.326 8.078 0.248 19732 10325 1 20 . 1 1 7 7 ASP N N 7 120.769 120.769 119.174 1.595 19732 10326 1 20 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.654 -0.137 19732 10327 1 20 . 1 1 7 7 ASP C C 7 176.111 176.111 176.184 -0.073 19732 10328 1 20 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.832 -0.696 19732 10329 1 20 . 1 1 7 7 ASP CB C 7 41.285 41.285 39.473 1.812 19732 10330 1 20 . 1 1 7 7 ASP H H 7 8.114 8.114 8.364 -0.250 19732 10331 1 20 . 1 1 8 8 ALA N N 8 123.543 123.543 122.104 1.439 19732 10332 1 20 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.246 -0.187 19732 10333 1 20 . 1 1 8 8 ALA C C 8 178.788 178.788 178.860 -0.072 19732 10334 1 20 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.156 -0.225 19732 10335 1 20 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.463 0.464 19732 10336 1 20 . 1 1 8 8 ALA H H 8 8.248 8.248 7.542 0.706 19732 10337 1 20 . 1 1 9 9 GLU N N 9 118.034 118.034 118.787 -0.753 19732 10338 1 20 . 1 1 9 9 GLU HA H 9 4.126 4.126 3.988 0.138 19732 10339 1 20 . 1 1 9 9 GLU C C 9 177.485 177.485 178.328 -0.843 19732 10340 1 20 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.265 -1.425 19732 10341 1 20 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.772 0.830 19732 10342 1 20 . 1 1 9 9 GLU H H 9 8.255 8.255 7.912 0.343 19732 10343 1 20 . 1 1 10 10 SER N N 10 115.260 115.260 115.187 0.073 19732 10344 1 20 . 1 1 10 10 SER HA H 10 4.232 4.232 4.297 -0.065 19732 10345 1 20 . 1 1 10 10 SER C C 10 175.552 175.552 175.767 -0.215 19732 10346 1 20 . 1 1 10 10 SER CA C 10 60.015 60.015 60.791 -0.776 19732 10347 1 20 . 1 1 10 10 SER CB C 10 63.225 63.225 62.995 0.230 19732 10348 1 20 . 1 1 10 10 SER H H 10 7.992 7.992 7.671 0.321 19732 10349 1 20 . 1 1 11 11 ILE N N 11 121.199 121.199 120.165 1.034 19732 10350 1 20 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.062 -0.172 19732 10351 1 20 . 1 1 11 11 ILE C C 11 176.411 176.411 177.213 -0.802 19732 10352 1 20 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.346 0.404 19732 10353 1 20 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.288 -0.015 19732 10354 1 20 . 1 1 11 11 ILE H H 11 7.729 7.729 7.501 0.228 19732 10355 1 20 . 1 1 12 12 ARG N N 12 121.248 121.248 119.314 1.934 19732 10356 1 20 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.357 -0.244 19732 10357 1 20 . 1 1 12 12 ARG C C 12 176.970 176.970 176.730 0.240 19732 10358 1 20 . 1 1 12 12 ARG CA C 12 57.077 57.077 56.102 0.974 19732 10359 1 20 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.724 -0.228 19732 10360 1 20 . 1 1 12 12 ARG H H 12 7.853 7.853 7.645 0.208 19732 10361 1 20 . 1 1 13 13 LEU N N 13 120.701 120.701 119.543 1.158 19732 10362 1 20 . 1 1 13 13 LEU HA H 13 4.218 4.218 3.966 0.252 19732 10363 1 20 . 1 1 13 13 LEU C C 13 177.620 177.620 177.796 -0.176 19732 10364 1 20 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.855 -0.558 19732 10365 1 20 . 1 1 13 13 LEU CB C 13 42.174 42.174 40.909 1.265 19732 10366 1 20 . 1 1 13 13 LEU H H 13 8.020 8.020 8.119 -0.099 19732 10367 1 20 . 1 1 16 16 GLU N N 16 120.417 120.417 125.914 -5.497 19732 10368 1 20 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.231 -0.106 19732 10369 1 20 . 1 1 16 16 GLU C C 16 178.929 178.929 177.911 1.018 19732 10370 1 20 . 1 1 16 16 GLU CA C 16 59.605 59.605 58.793 0.812 19732 10371 1 20 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.936 -0.545 19732 10372 1 20 . 1 1 16 16 GLU H H 16 8.465 8.465 8.934 -0.469 19732 10373 1 20 . 1 1 17 17 ASN N N 17 118.855 118.855 118.853 0.002 19732 10374 1 20 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.608 0.011 19732 10375 1 20 . 1 1 17 17 ASN C C 17 177.835 177.835 177.435 0.400 19732 10376 1 20 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.277 -0.739 19732 10377 1 20 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.285 -0.075 19732 10378 1 20 . 1 1 17 17 ASN H H 17 8.428 8.428 8.512 -0.084 19732 10379 1 20 . 1 1 18 18 LEU N N 18 123.972 123.972 120.609 3.363 19732 10380 1 20 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.263 -0.043 19732 10381 1 20 . 1 1 18 18 LEU C C 18 178.248 178.248 178.687 -0.439 19732 10382 1 20 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.930 -0.045 19732 10383 1 20 . 1 1 18 18 LEU CB C 18 41.697 41.697 40.811 0.886 19732 10384 1 20 . 1 1 18 18 LEU H H 18 8.208 8.208 7.705 0.503 19732 10385 1 20 . 1 1 19 19 TRP N N 19 119.362 119.362 121.862 -2.500 19732 10386 1 20 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.361 -0.195 19732 10387 1 20 . 1 1 19 19 TRP C C 19 177.617 177.617 177.571 0.046 19732 10388 1 20 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.859 0.037 19732 10389 1 20 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.868 -0.441 19732 10390 1 20 . 1 1 19 19 TRP H H 19 8.316 8.316 8.458 -0.142 19732 10391 1 20 . 1 1 20 20 ALA N N 20 118.581 118.581 121.721 -3.140 19732 10392 1 20 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.966 0.084 19732 10393 1 20 . 1 1 20 20 ALA C C 20 180.422 180.422 179.263 1.159 19732 10394 1 20 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.288 -0.124 19732 10395 1 20 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.978 0.062 19732 10396 1 20 . 1 1 20 20 ALA H H 20 7.957 7.957 8.011 -0.054 19732 10397 1 20 . 1 1 21 21 TRP N N 21 119.753 119.753 120.874 -1.121 19732 10398 1 20 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.304 -0.411 19732 10399 1 20 . 1 1 21 21 TRP C C 21 177.494 177.494 177.641 -0.147 19732 10400 1 20 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.236 1.863 19732 10401 1 20 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.835 -1.192 19732 10402 1 20 . 1 1 21 21 TRP H H 21 8.043 8.043 8.259 -0.216 19732 10403 1 20 . 1 1 22 22 LEU N N 22 122.136 122.136 121.447 0.689 19732 10404 1 20 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.686 -0.247 19732 10405 1 20 . 1 1 22 22 LEU C C 22 178.075 178.075 178.836 -0.761 19732 10406 1 20 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.993 -0.238 19732 10407 1 20 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.216 0.754 19732 10408 1 20 . 1 1 22 22 LEU H H 22 8.553 8.553 8.229 0.324 19732 10409 1 20 . 1 1 23 23 VAL N N 23 118.034 118.034 118.330 -0.296 19732 10410 1 20 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.326 -0.013 19732 10411 1 20 . 1 1 23 23 VAL C C 23 178.401 178.401 178.371 0.030 19732 10412 1 20 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.304 0.820 19732 10413 1 20 . 1 1 23 23 VAL CB C 23 31.300 31.300 30.735 0.565 19732 10414 1 20 . 1 1 23 23 VAL H H 23 8.341 8.341 8.411 -0.070 19732 10415 1 20 . 1 1 24 24 ARG N N 24 120.377 120.377 118.143 2.234 19732 10416 1 20 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.900 -0.086 19732 10417 1 20 . 1 1 24 24 ARG C C 24 179.205 179.205 178.900 0.305 19732 10418 1 20 . 1 1 24 24 ARG CA C 24 60.104 60.104 59.443 0.661 19732 10419 1 20 . 1 1 24 24 ARG CB C 24 30.036 30.036 30.092 -0.056 19732 10420 1 20 . 1 1 24 24 ARG H H 24 7.856 7.856 7.876 -0.020 19732 10421 1 20 . 1 1 25 25 LEU N N 25 121.668 121.668 120.732 0.936 19732 10422 1 20 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.848 -0.185 19732 10423 1 20 . 1 1 25 25 LEU C C 25 179.943 179.943 179.071 0.872 19732 10424 1 20 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.387 0.661 19732 10425 1 20 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.906 0.123 19732 10426 1 20 . 1 1 25 25 LEU H H 25 7.838 7.838 7.948 -0.110 19732 10427 1 20 . 1 1 26 26 LEU N N 26 118.308 118.308 118.014 0.294 19732 10428 1 20 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.075 -0.164 19732 10429 1 20 . 1 1 26 26 LEU C C 26 179.471 179.471 179.450 0.021 19732 10430 1 20 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.211 0.262 19732 10431 1 20 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.949 0.080 19732 10432 1 20 . 1 1 26 26 LEU H H 26 8.247 8.247 8.297 -0.050 19732 10433 1 20 . 1 1 27 27 SER N N 27 115.768 115.768 114.491 1.277 19732 10434 1 20 . 1 1 27 27 SER HA H 27 4.020 4.020 4.207 -0.187 19732 10435 1 20 . 1 1 27 27 SER C C 27 174.990 174.990 174.909 0.081 19732 10436 1 20 . 1 1 27 27 SER CA C 27 61.755 61.755 61.006 0.749 19732 10437 1 20 . 1 1 27 27 SER CB C 27 62.755 62.755 62.811 -0.056 19732 10438 1 20 . 1 1 27 27 SER H H 27 8.436 8.436 8.110 0.326 19732 10439 1 20 . 1 1 28 28 LYS N N 28 117.644 117.644 116.901 0.743 19732 10440 1 20 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.292 0.022 19732 10441 1 20 . 1 1 28 28 LYS C C 28 175.979 175.979 176.810 -0.831 19732 10442 1 20 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.846 -0.659 19732 10443 1 20 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.695 0.096 19732 10444 1 20 . 1 1 28 28 LYS H H 28 7.014 7.014 7.341 -0.327 19732 10445 1 20 . 1 1 29 29 ASN N N 29 118.347 118.347 117.174 1.173 19732 10446 1 20 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.305 -0.023 19732 10447 1 20 . 1 1 29 29 ASN C C 29 171.835 171.835 173.026 -1.191 19732 10448 1 20 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.474 0.851 19732 10449 1 20 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.294 2.332 19732 10450 1 20 . 1 1 29 29 ASN H H 29 7.611 7.611 7.601 0.010 19732 10451 1 20 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.394 0.057 19732 10452 1 20 . 1 1 30 30 PRO C C 30 179.560 179.560 178.207 1.353 19732 10453 1 20 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.119 0.750 19732 10454 1 20 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.810 -0.408 19732 10455 1 20 . 1 1 31 31 GLU N N 31 119.636 119.636 118.384 1.252 19732 10456 1 20 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.061 0.065 19732 10457 1 20 . 1 1 31 31 GLU C C 31 179.253 179.253 178.497 0.756 19732 10458 1 20 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.342 0.330 19732 10459 1 20 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.139 -0.774 19732 10460 1 20 . 1 1 31 31 GLU H H 31 8.593 8.593 8.702 -0.109 19732 10461 1 20 . 1 1 32 32 TRP N N 32 122.293 122.293 121.646 0.647 19732 10462 1 20 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.410 -0.377 19732 10463 1 20 . 1 1 32 32 TRP C C 32 178.055 178.055 177.818 0.237 19732 10464 1 20 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.873 0.983 19732 10465 1 20 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.834 -0.718 19732 10466 1 20 . 1 1 32 32 TRP H H 32 7.933 7.933 7.632 0.301 19732 10467 1 20 . 1 1 33 33 LEU N N 33 117.409 117.409 121.020 -3.611 19732 10468 1 20 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.471 0.419 19732 10469 1 20 . 1 1 33 33 LEU C C 33 177.934 177.934 178.630 -0.696 19732 10470 1 20 . 1 1 33 33 LEU CA C 33 58.178 58.178 57.879 0.299 19732 10471 1 20 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.355 0.203 19732 10472 1 20 . 1 1 33 33 LEU H H 33 8.012 8.012 8.392 -0.380 19732 10473 1 20 . 1 1 34 34 SER N N 34 113.257 113.257 114.904 -1.647 19732 10474 1 20 . 1 1 34 34 SER HA H 34 3.975 3.975 4.008 -0.033 19732 10475 1 20 . 1 1 34 34 SER C C 34 176.363 176.363 176.367 -0.004 19732 10476 1 20 . 1 1 34 34 SER CA C 34 62.194 62.194 61.914 0.280 19732 10477 1 20 . 1 1 34 34 SER CB C 34 62.739 62.739 62.335 0.404 19732 10478 1 20 . 1 1 34 34 SER H H 34 8.335 8.335 8.412 -0.077 19732 10479 1 20 . 1 1 35 35 ALA N N 35 121.511 121.511 124.869 -3.358 19732 10480 1 20 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.945 0.012 19732 10481 1 20 . 1 1 35 35 ALA C C 35 180.728 180.728 179.793 0.935 19732 10482 1 20 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.908 -0.019 19732 10483 1 20 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.149 -0.374 19732 10484 1 20 . 1 1 35 35 ALA H H 35 7.391 7.391 7.665 -0.274 19732 10485 1 20 . 1 1 36 36 LYS N N 36 118.386 118.386 118.177 0.209 19732 10486 1 20 . 1 1 36 36 LYS HA H 36 3.834 3.834 3.867 -0.033 19732 10487 1 20 . 1 1 36 36 LYS C C 36 179.578 179.578 179.557 0.021 19732 10488 1 20 . 1 1 36 36 LYS CA C 36 56.597 56.597 58.039 -1.442 19732 10489 1 20 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.742 -1.259 19732 10490 1 20 . 1 1 36 36 LYS H H 36 7.823 7.823 7.320 0.503 19732 10491 1 20 . 1 1 37 37 LEU N N 37 119.480 119.480 120.390 -0.910 19732 10492 1 20 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.059 -0.169 19732 10493 1 20 . 1 1 37 37 LEU C C 37 178.529 178.529 178.499 0.030 19732 10494 1 20 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.361 0.286 19732 10495 1 20 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.396 -0.248 19732 10496 1 20 . 1 1 37 37 LEU H H 37 8.725 8.725 8.679 0.046 19732 10497 1 20 . 1 1 38 38 ARG N N 38 115.612 115.612 116.464 -0.852 19732 10498 1 20 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.019 -0.022 19732 10499 1 20 . 1 1 38 38 ARG C C 38 177.661 177.661 177.970 -0.309 19732 10500 1 20 . 1 1 38 38 ARG CA C 38 58.512 58.512 58.903 -0.391 19732 10501 1 20 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.761 0.174 19732 10502 1 20 . 1 1 38 38 ARG H H 38 7.446 7.446 7.947 -0.500 19732 10503 1 20 . 1 1 39 39 SER N N 39 111.883 111.883 112.607 -0.724 19732 10504 1 20 . 1 1 39 39 SER HA H 39 4.160 4.160 4.179 -0.019 19732 10505 1 20 . 1 1 39 39 SER C C 39 175.401 175.401 174.976 0.425 19732 10506 1 20 . 1 1 39 39 SER CA C 39 60.359 60.359 59.843 0.516 19732 10507 1 20 . 1 1 39 39 SER CB C 39 63.228 63.228 63.130 0.097 19732 10508 1 20 . 1 1 39 39 SER H H 39 7.353 7.353 7.575 -0.222 19732 10509 1 20 . 1 1 40 40 PHE N N 40 117.136 117.136 119.592 -2.456 19732 10510 1 20 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.530 0.084 19732 10511 1 20 . 1 1 40 40 PHE C C 40 175.852 175.852 175.908 -0.056 19732 10512 1 20 . 1 1 40 40 PHE CA C 40 59.710 59.710 59.394 0.316 19732 10513 1 20 . 1 1 40 40 PHE CB C 40 41.694 41.694 40.043 1.651 19732 10514 1 20 . 1 1 40 40 PHE H H 40 7.792 7.792 7.359 0.433 19732 10515 1 20 . 1 1 41 41 LEU N N 41 119.050 119.050 119.665 -0.615 19732 10516 1 20 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.719 0.158 19732 10517 1 20 . 1 1 41 41 LEU C C 41 174.510 174.510 176.373 -1.863 19732 10518 1 20 . 1 1 41 41 LEU CA C 41 52.092 52.092 51.555 0.537 19732 10519 1 20 . 1 1 41 41 LEU CB C 41 42.037 42.037 40.413 1.624 19732 10520 1 20 . 1 1 41 41 LEU H H 41 8.114 8.114 8.298 -0.184 19732 10521 1 20 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.407 -0.105 19732 10522 1 20 . 1 1 42 42 PRO C C 42 177.620 177.620 177.366 0.254 19732 10523 1 20 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.654 -0.883 19732 10524 1 20 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.079 -0.398 19732 10525 1 20 . 1 1 43 43 THR N N 43 109.752 109.752 108.561 1.191 19732 10526 1 20 . 1 1 43 43 THR HA H 43 4.256 4.256 4.516 -0.260 19732 10527 1 20 . 1 1 43 43 THR C C 43 174.467 174.467 173.477 0.990 19732 10528 1 20 . 1 1 43 43 THR CA C 43 61.657 61.657 60.632 1.025 19732 10529 1 20 . 1 1 43 43 THR CB C 43 69.450 69.450 68.829 0.621 19732 10530 1 20 . 1 1 43 43 THR H H 43 7.671 7.671 7.919 -0.248 19732 10531 1 20 . 1 1 44 44 MET N N 44 121.568 121.568 123.821 -2.253 19732 10532 1 20 . 1 1 44 44 MET HA H 44 4.363 4.363 4.543 -0.180 19732 10533 1 20 . 1 1 44 44 MET C C 44 175.373 175.373 173.671 1.702 19732 10534 1 20 . 1 1 44 44 MET CA C 44 55.710 55.710 55.658 0.052 19732 10535 1 20 . 1 1 44 44 MET CB C 44 32.989 32.989 33.452 -0.463 19732 10536 1 20 . 1 1 44 44 MET H H 44 8.037 8.037 7.476 0.561 19732 10537 1 20 . 1 1 45 45 ASP N N 45 121.980 121.980 128.027 -6.047 19732 10538 1 20 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.891 -0.370 19732 10539 1 20 . 1 1 45 45 ASP C C 45 176.022 176.022 176.332 -0.310 19732 10540 1 20 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.530 0.841 19732 10541 1 20 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.594 0.553 19732 10542 1 20 . 1 1 45 45 ASP H H 45 8.230 8.230 8.436 -0.206 19732 10543 1 20 . 1 1 46 46 LEU N N 46 122.192 122.192 119.199 2.993 19732 10544 1 20 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.593 -0.449 19732 10545 1 20 . 1 1 46 46 LEU C C 46 177.018 177.018 177.497 -0.479 19732 10546 1 20 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.477 0.436 19732 10547 1 20 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.037 0.139 19732 10548 1 20 . 1 1 46 46 LEU H H 46 8.028 8.028 8.022 0.006 19732 10549 1 20 . 1 1 47 47 ASP N N 47 120.573 120.573 121.287 -0.714 19732 10550 1 20 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.552 -0.027 19732 10551 1 20 . 1 1 47 47 ASP C C 47 176.370 176.370 175.263 1.107 19732 10552 1 20 . 1 1 47 47 ASP CA C 47 54.207 54.207 53.919 0.288 19732 10553 1 20 . 1 1 47 47 ASP CB C 47 41.154 41.154 39.324 1.830 19732 10554 1 20 . 1 1 47 47 ASP H H 47 8.238 8.238 8.827 -0.589 19732 10555 1 20 . 1 1 48 48 CYS N N 48 118.464 118.464 118.681 -0.217 19732 10556 1 20 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.778 -0.349 19732 10557 1 20 . 1 1 48 48 CYS C C 48 174.340 174.340 174.577 -0.237 19732 10558 1 20 . 1 1 48 48 CYS CA C 48 58.513 58.513 56.147 2.366 19732 10559 1 20 . 1 1 48 48 CYS CB C 48 27.953 27.953 29.160 -1.206 19732 10560 1 20 . 1 1 48 48 CYS H H 48 8.068 8.068 7.784 0.284 19732 10561 1 20 . 1 1 49 49 SER N N 49 116.784 116.784 122.315 -5.531 19732 10562 1 20 . 1 1 49 49 SER HA H 49 4.302 4.302 4.301 0.001 19732 10563 1 20 . 1 1 49 49 SER C C 49 173.897 173.897 174.447 -0.550 19732 10564 1 20 . 1 1 49 49 SER CA C 49 58.718 58.718 58.623 0.094 19732 10565 1 20 . 1 1 49 49 SER CB C 49 63.636 63.636 61.841 1.795 19732 10566 1 20 . 1 1 49 49 SER H H 49 8.185 8.185 8.700 -0.515 19732 10567 1 20 . 1 1 50 50 TYR N N 50 120.886 120.886 122.116 -1.230 19732 10568 1 20 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.562 -0.050 19732 10569 1 20 . 1 1 50 50 TYR C C 50 174.818 174.818 175.897 -1.079 19732 10570 1 20 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.124 -0.638 19732 10571 1 20 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.490 0.305 19732 10572 1 20 . 1 1 50 50 TYR H H 50 7.776 7.776 7.474 0.302 19732 10573 1 20 . 1 1 51 51 GLU N N 51 122.800 122.800 118.471 4.329 19732 10574 1 20 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.848 -0.293 19732 10575 1 20 . 1 1 51 51 GLU C C 51 174.508 174.508 173.888 0.620 19732 10576 1 20 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.138 0.790 19732 10577 1 20 . 1 1 51 51 GLU CB C 51 30.225 30.225 32.051 -1.826 19732 10578 1 20 . 1 1 51 51 GLU H H 51 8.026 8.026 7.899 0.127 19732 10579 1 20 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.554 -0.252 19732 10580 1 20 . 1 1 52 52 PRO C C 52 176.065 176.065 177.809 -1.744 19732 10581 1 20 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.314 1.370 19732 10582 1 20 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.196 -0.633 19732 10583 1 20 . 1 1 53 53 SER N N 53 110.611 110.611 116.223 -5.612 19732 10584 1 20 . 1 1 53 53 SER HA H 53 4.302 4.302 4.351 -0.049 19732 10585 1 20 . 1 1 53 53 SER C C 53 173.858 173.858 173.761 0.097 19732 10586 1 20 . 1 1 53 53 SER CA C 53 58.508 58.508 58.014 0.494 19732 10587 1 20 . 1 1 53 53 SER CB C 53 63.636 63.636 61.669 1.967 19732 10588 1 20 . 1 1 53 53 SER H H 53 7.934 7.934 8.655 -0.721 19732 10589 1 20 . 1 1 54 54 ASN N N 54 121.155 121.155 122.602 -1.447 19732 10590 1 20 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.781 0.097 19732 10591 1 20 . 1 1 54 54 ASN C C 54 174.167 174.167 175.062 -0.895 19732 10592 1 20 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.255 -0.784 19732 10593 1 20 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.043 0.961 19732 10594 1 20 . 1 1 54 54 ASN H H 54 7.666 7.666 8.020 -0.354 19732 10595 1 20 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.233 -0.204 19732 10596 1 20 . 1 1 55 55 PRO C C 55 177.787 177.787 178.597 -0.810 19732 10597 1 20 . 1 1 55 55 PRO CA C 55 65.586 65.586 65.892 -0.306 19732 10598 1 20 . 1 1 55 55 PRO CB C 55 32.363 32.363 32.009 0.354 19732 10599 1 20 . 1 1 56 56 GLU N N 56 117.292 117.292 117.704 -0.412 19732 10600 1 20 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.173 -0.103 19732 10601 1 20 . 1 1 56 56 GLU C C 56 179.258 179.258 178.966 0.292 19732 10602 1 20 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.294 0.178 19732 10603 1 20 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.913 0.211 19732 10604 1 20 . 1 1 56 56 GLU H H 56 8.153 8.153 8.717 -0.564 19732 10605 1 20 . 1 1 57 57 VAL N N 57 120.730 120.730 120.518 0.212 19732 10606 1 20 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.806 -0.238 19732 10607 1 20 . 1 1 57 57 VAL C C 57 178.039 178.039 177.996 0.043 19732 10608 1 20 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.216 -0.251 19732 10609 1 20 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.893 0.092 19732 10610 1 20 . 1 1 57 57 VAL H H 57 7.556 7.556 7.252 0.304 19732 10611 1 20 . 1 1 58 58 ILE N N 58 119.892 119.892 119.831 0.061 19732 10612 1 20 . 1 1 58 58 ILE HA H 58 3.710 3.710 4.053 -0.343 19732 10613 1 20 . 1 1 58 58 ILE C C 58 178.096 178.096 178.494 -0.398 19732 10614 1 20 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.659 1.553 19732 10615 1 20 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.366 0.952 19732 10616 1 20 . 1 1 58 58 ILE H H 58 7.784 7.784 8.450 -0.666 19732 10617 1 20 . 1 1 59 59 HIS N N 59 117.644 117.644 119.574 -1.930 19732 10618 1 20 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.470 -0.323 19732 10619 1 20 . 1 1 59 59 HIS C C 59 177.576 177.576 177.883 -0.307 19732 10620 1 20 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.775 -0.280 19732 10621 1 20 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.341 -0.062 19732 10622 1 20 . 1 1 59 59 HIS H H 59 8.350 8.350 8.373 -0.023 19732 10623 1 20 . 1 1 60 60 ARG N N 60 118.248 118.248 119.263 -1.015 19732 10624 1 20 . 1 1 60 60 ARG HA H 60 4.046 4.046 4.050 -0.004 19732 10625 1 20 . 1 1 60 60 ARG C C 60 179.642 179.642 178.850 0.792 19732 10626 1 20 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.642 0.304 19732 10627 1 20 . 1 1 60 60 ARG CB C 60 30.307 30.307 30.157 0.150 19732 10628 1 20 . 1 1 60 60 ARG H H 60 7.776 7.776 7.918 -0.142 19732 10629 1 20 . 1 1 61 61 GLN N N 61 119.475 119.475 119.057 0.418 19732 10630 1 20 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.107 -0.041 19732 10631 1 20 . 1 1 61 61 GLN C C 61 178.650 178.650 178.597 0.053 19732 10632 1 20 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.886 0.139 19732 10633 1 20 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.835 -0.683 19732 10634 1 20 . 1 1 61 61 GLN H H 61 8.460 8.460 7.628 0.832 19732 10635 1 20 . 1 1 62 62 LEU N N 62 117.882 117.882 119.657 -1.775 19732 10636 1 20 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.106 0.022 19732 10637 1 20 . 1 1 62 62 LEU C C 62 179.260 179.260 178.768 0.492 19732 10638 1 20 . 1 1 62 62 LEU CA C 62 57.995 57.995 57.219 0.776 19732 10639 1 20 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.155 0.476 19732 10640 1 20 . 1 1 62 62 LEU H H 62 8.742 8.742 8.615 0.127 19732 10641 1 20 . 1 1 63 63 ASN N N 63 117.409 117.409 118.444 -1.035 19732 10642 1 20 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.244 -0.014 19732 10643 1 20 . 1 1 63 63 ASN C C 63 178.050 178.050 177.578 0.472 19732 10644 1 20 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.583 0.082 19732 10645 1 20 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.586 0.092 19732 10646 1 20 . 1 1 63 63 ASN H H 63 8.279 8.279 8.082 0.197 19732 10647 1 20 . 1 1 64 64 ARG N N 64 119.753 119.753 118.392 1.361 19732 10648 1 20 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.111 -0.069 19732 10649 1 20 . 1 1 64 64 ARG C C 64 178.914 178.914 178.820 0.094 19732 10650 1 20 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.528 0.332 19732 10651 1 20 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.694 0.075 19732 10652 1 20 . 1 1 64 64 ARG H H 64 7.784 7.784 7.719 0.065 19732 10653 1 20 . 1 1 65 65 LEU N N 65 120.009 120.009 118.714 1.295 19732 10654 1 20 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.110 -0.171 19732 10655 1 20 . 1 1 65 65 LEU C C 65 178.481 178.481 178.651 -0.170 19732 10656 1 20 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.121 1.186 19732 10657 1 20 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.586 0.871 19732 10658 1 20 . 1 1 65 65 LEU H H 65 7.779 7.779 7.426 0.353 19732 10659 1 20 . 1 1 66 66 PHE N N 66 118.503 118.503 119.901 -1.398 19732 10660 1 20 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.035 -0.060 19732 10661 1 20 . 1 1 66 66 PHE C C 66 178.269 178.269 175.771 2.498 19732 10662 1 20 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.228 0.609 19732 10663 1 20 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.888 -0.137 19732 10664 1 20 . 1 1 66 66 PHE H H 66 8.287 8.287 7.539 0.748 19732 10665 1 20 . 1 1 67 67 ALA N N 67 119.206 119.206 118.270 0.936 19732 10666 1 20 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.184 -0.285 19732 10667 1 20 . 1 1 67 67 ALA C C 67 178.876 178.876 178.737 0.139 19732 10668 1 20 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.605 0.053 19732 10669 1 20 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.658 -0.617 19732 10670 1 20 . 1 1 67 67 ALA H H 67 7.902 7.902 7.562 0.340 19732 10671 1 20 . 1 1 68 68 GLN N N 68 115.534 115.534 117.413 -1.879 19732 10672 1 20 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.273 -0.158 19732 10673 1 20 . 1 1 68 68 GLN C C 68 177.274 177.274 177.176 0.098 19732 10674 1 20 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.783 -0.387 19732 10675 1 20 . 1 1 68 68 GLN CB C 68 28.841 28.841 30.081 -1.240 19732 10676 1 20 . 1 1 68 68 GLN H H 68 7.572 7.572 7.595 -0.023 19732 10677 1 20 . 1 1 69 69 GLY N N 69 106.861 106.861 105.940 0.921 19732 10678 1 20 . 1 1 69 69 GLY C C 69 173.690 173.690 174.085 -0.395 19732 10679 1 20 . 1 1 69 69 GLY CA C 69 43.887 43.887 44.877 -0.990 19732 10680 1 20 . 1 1 69 69 GLY H H 69 7.486 7.486 7.983 -0.497 19732 10681 1 20 . 1 1 70 70 MET N N 70 119.355 119.355 120.980 -1.625 19732 10682 1 20 . 1 1 70 70 MET HA H 70 4.117 4.117 3.189 0.928 19732 10683 1 20 . 1 1 70 70 MET C C 70 177.743 177.743 176.641 1.102 19732 10684 1 20 . 1 1 70 70 MET CA C 70 57.396 57.396 58.374 -0.978 19732 10685 1 20 . 1 1 70 70 MET CB C 70 30.638 30.638 31.710 -1.072 19732 10686 1 20 . 1 1 70 70 MET H H 70 8.245 8.245 8.397 -0.152 19732 10687 1 20 . 1 1 71 71 ALA N N 71 120.691 120.691 122.563 -1.872 19732 10688 1 20 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.068 -0.005 19732 10689 1 20 . 1 1 71 71 ALA C C 71 181.027 181.027 179.669 1.358 19732 10690 1 20 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.434 1.208 19732 10691 1 20 . 1 1 71 71 ALA CB C 71 17.565 17.565 18.134 -0.569 19732 10692 1 20 . 1 1 71 71 ALA H H 71 8.624 8.624 8.199 0.425 19732 10693 1 20 . 1 1 72 72 THR N N 72 116.354 116.354 114.999 1.355 19732 10694 1 20 . 1 1 72 72 THR HA H 72 3.825 3.825 4.061 -0.236 19732 10695 1 20 . 1 1 72 72 THR C C 72 174.861 174.861 176.431 -1.570 19732 10696 1 20 . 1 1 72 72 THR CA C 72 66.992 66.992 66.916 0.076 19732 10697 1 20 . 1 1 72 72 THR CB C 72 68.355 68.355 68.418 -0.063 19732 10698 1 20 . 1 1 72 72 THR H H 72 7.525 7.525 7.779 -0.254 19732 10699 1 20 . 1 1 73 73 TRP N N 73 122.292 122.292 122.433 -0.141 19732 10700 1 20 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.363 -0.032 19732 10701 1 20 . 1 1 73 73 TRP C C 73 176.757 176.757 177.559 -0.802 19732 10702 1 20 . 1 1 73 73 TRP CA C 73 60.559 60.559 60.999 -0.441 19732 10703 1 20 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.914 0.442 19732 10704 1 20 . 1 1 73 73 TRP H H 73 8.090 8.090 8.230 -0.140 19732 10705 1 20 . 1 1 74 74 LYS N N 74 115.768 115.768 119.341 -3.573 19732 10706 1 20 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.927 -0.188 19732 10707 1 20 . 1 1 74 74 LYS C C 74 178.957 178.957 179.246 -0.289 19732 10708 1 20 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.551 -0.118 19732 10709 1 20 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.124 0.198 19732 10710 1 20 . 1 1 74 74 LYS H H 74 9.001 9.001 7.650 1.351 19732 10711 1 20 . 1 1 75 75 SER N N 75 115.378 115.378 115.768 -0.390 19732 10712 1 20 . 1 1 75 75 SER HA H 75 4.211 4.211 4.318 -0.107 19732 10713 1 20 . 1 1 75 75 SER C C 75 175.465 175.465 176.484 -1.019 19732 10714 1 20 . 1 1 75 75 SER CA C 75 61.999 61.999 61.647 0.352 19732 10715 1 20 . 1 1 75 75 SER CB C 75 63.160 63.160 62.891 0.269 19732 10716 1 20 . 1 1 75 75 SER H H 75 7.604 7.604 8.094 -0.490 19732 10717 1 20 . 1 1 76 76 PHE N N 76 121.707 121.707 123.685 -1.978 19732 10718 1 20 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.280 -0.264 19732 10719 1 20 . 1 1 76 76 PHE C C 76 175.983 175.983 177.068 -1.085 19732 10720 1 20 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.605 -0.123 19732 10721 1 20 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.893 -0.614 19732 10722 1 20 . 1 1 76 76 PHE H H 76 8.200 8.200 8.310 -0.110 19732 10723 1 20 . 1 1 77 77 ILE N N 77 117.448 117.448 118.607 -1.159 19732 10724 1 20 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.523 -0.192 19732 10725 1 20 . 1 1 77 77 ILE C C 77 177.919 177.919 178.262 -0.343 19732 10726 1 20 . 1 1 77 77 ILE CA C 77 60.494 60.494 62.936 -2.442 19732 10727 1 20 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.227 -1.505 19732 10728 1 20 . 1 1 77 77 ILE H H 77 8.193 8.193 8.630 -0.437 19732 10729 1 20 . 1 1 78 78 ASN N N 78 119.831 119.831 120.466 -0.635 19732 10730 1 20 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.429 -0.211 19732 10731 1 20 . 1 1 78 78 ASN C C 78 177.228 177.228 177.316 -0.088 19732 10732 1 20 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.767 1.024 19732 10733 1 20 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.308 0.996 19732 10734 1 20 . 1 1 78 78 ASN H H 78 8.224 8.224 8.619 -0.395 19732 10735 1 20 . 1 1 79 79 ASP N N 79 119.402 119.402 120.506 -1.104 19732 10736 1 20 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.546 -0.057 19732 10737 1 20 . 1 1 79 79 ASP C C 79 177.600 177.600 178.421 -0.821 19732 10738 1 20 . 1 1 79 79 ASP CA C 79 57.575 57.575 58.058 -0.483 19732 10739 1 20 . 1 1 79 79 ASP CB C 79 39.917 39.917 41.062 -1.145 19732 10740 1 20 . 1 1 79 79 ASP H H 79 8.028 8.028 8.083 -0.055 19732 10741 1 20 . 1 1 80 80 LEU N N 80 122.293 122.293 121.953 0.340 19732 10742 1 20 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.465 0.023 19732 10743 1 20 . 1 1 80 80 LEU C C 80 178.561 178.561 178.324 0.237 19732 10744 1 20 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.327 1.005 19732 10745 1 20 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.203 1.177 19732 10746 1 20 . 1 1 80 80 LEU H H 80 8.491 8.491 8.239 0.252 19732 10747 1 20 . 1 1 81 81 CYS N N 81 114.479 114.479 116.063 -1.584 19732 10748 1 20 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.061 -0.130 19732 10749 1 20 . 1 1 81 81 CYS C C 81 176.754 176.754 177.240 -0.486 19732 10750 1 20 . 1 1 81 81 CYS CA C 81 63.543 63.543 63.746 -0.203 19732 10751 1 20 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.758 -0.101 19732 10752 1 20 . 1 1 81 81 CYS H H 81 8.169 8.169 8.263 -0.094 19732 10753 1 20 . 1 1 82 82 PHE N N 82 115.964 115.964 120.585 -4.621 19732 10754 1 20 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.134 0.188 19732 10755 1 20 . 1 1 82 82 PHE C C 82 178.485 178.485 176.699 1.786 19732 10756 1 20 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.262 -0.386 19732 10757 1 20 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.393 0.438 19732 10758 1 20 . 1 1 82 82 PHE H H 82 7.863 7.863 7.654 0.209 19732 10759 1 20 . 1 1 83 83 GLU N N 83 116.314 116.314 117.079 -0.765 19732 10760 1 20 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.084 -0.039 19732 10761 1 20 . 1 1 83 83 GLU C C 83 177.877 177.877 178.683 -0.806 19732 10762 1 20 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.116 0.629 19732 10763 1 20 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.148 0.130 19732 10764 1 20 . 1 1 83 83 GLU H H 83 9.049 9.049 8.402 0.647 19732 10765 1 20 . 1 1 84 84 LEU N N 84 116.042 116.042 116.823 -0.781 19732 10766 1 20 . 1 1 84 84 LEU HA H 84 4.237 4.237 3.892 0.345 19732 10767 1 20 . 1 1 84 84 LEU C C 84 175.868 175.868 177.668 -1.800 19732 10768 1 20 . 1 1 84 84 LEU CA C 84 53.657 53.657 56.726 -3.069 19732 10769 1 20 . 1 1 84 84 LEU CB C 84 40.104 40.104 42.170 -2.066 19732 10770 1 20 . 1 1 84 84 LEU H H 84 7.713 7.713 7.534 0.179 19732 10771 1 20 . 1 1 85 85 ASP N N 85 116.940 116.940 114.543 2.397 19732 10772 1 20 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.512 -0.262 19732 10773 1 20 . 1 1 85 85 ASP C C 85 174.424 174.424 174.195 0.229 19732 10774 1 20 . 1 1 85 85 ASP CA C 85 54.685 54.685 54.479 0.206 19732 10775 1 20 . 1 1 85 85 ASP CB C 85 38.821 38.821 42.395 -3.574 19732 10776 1 20 . 1 1 85 85 ASP H H 85 7.164 7.164 7.908 -0.744 19732 10777 1 20 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.352 0.054 19732 10778 1 20 . 1 1 87 87 PRO C C 87 177.572 177.572 178.376 -0.804 19732 10779 1 20 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.027 0.132 19732 10780 1 20 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.141 1.119 19732 10781 1 20 . 1 1 88 88 LEU N N 88 122.410 122.410 126.231 -3.821 19732 10782 1 20 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.033 -0.102 19732 10783 1 20 . 1 1 88 88 LEU C C 88 179.214 179.214 177.575 1.639 19732 10784 1 20 . 1 1 88 88 LEU CA C 88 57.281 57.281 57.256 0.025 19732 10785 1 20 . 1 1 88 88 LEU CB C 88 41.080 41.080 40.934 0.146 19732 10786 1 20 . 1 1 88 88 LEU H H 88 8.271 8.271 8.388 -0.117 19732 10787 1 20 . 1 1 91 91 GLU N N 91 121.224 121.224 120.279 0.945 19732 10788 1 20 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.155 -0.618 19732 10789 1 20 . 1 1 91 91 GLU C C 91 176.926 176.926 177.758 -0.832 19732 10790 1 20 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.105 1.974 19732 10791 1 20 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.782 -0.297 19732 10792 1 20 . 1 1 91 91 GLU H H 91 7.775 7.775 8.862 -1.087 19732 10793 1 20 . 1 1 92 92 ILE N N 92 115.836 115.836 121.385 -5.549 19732 10794 1 20 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.087 -0.177 19732 10795 1 20 . 1 1 92 92 ILE C C 92 177.704 177.704 175.813 1.891 19732 10796 1 20 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.953 1.077 19732 10797 1 20 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.433 0.018 19732 10798 1 20 . 1 1 92 92 ILE H H 92 8.259 8.259 8.414 -0.155 19732 10799 1 20 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.274 -0.157 19732 10800 1 20 . 1 1 93 93 PRO C C 93 178.653 178.653 178.710 -0.057 19732 10801 1 20 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.396 -0.393 19732 10802 1 20 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.193 -0.057 19732 10803 1 20 . 1 1 94 94 LEU N N 94 114.952 114.952 116.042 -1.090 19732 10804 1 20 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.423 -0.297 19732 10805 1 20 . 1 1 94 94 LEU C C 94 180.119 180.119 179.025 1.094 19732 10806 1 20 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.724 0.061 19732 10807 1 20 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.168 1.592 19732 10808 1 20 . 1 1 94 94 LEU H H 94 7.657 7.657 7.468 0.189 19732 10809 1 20 . 1 1 95 95 VAL N N 95 119.986 119.986 120.827 -0.841 19732 10810 1 20 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.470 -0.462 19732 10811 1 20 . 1 1 95 95 VAL C C 95 177.559 177.559 178.438 -0.879 19732 10812 1 20 . 1 1 95 95 VAL CA C 95 66.666 66.666 65.713 0.953 19732 10813 1 20 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.328 0.386 19732 10814 1 20 . 1 1 95 95 VAL H H 95 8.873 8.873 8.276 0.597 19732 10815 1 20 . 1 1 96 96 SER N N 96 111.863 111.863 117.391 -5.528 19732 10816 1 20 . 1 1 96 96 SER HA H 96 4.598 4.598 4.441 0.157 19732 10817 1 20 . 1 1 96 96 SER C C 96 175.113 175.113 177.037 -1.924 19732 10818 1 20 . 1 1 96 96 SER CA C 96 59.163 59.163 61.928 -2.765 19732 10819 1 20 . 1 1 96 96 SER CB C 96 63.552 63.552 62.331 1.221 19732 10820 1 20 . 1 1 96 96 SER H H 96 7.823 7.823 8.802 -0.979 19732 10821 1 20 . 1 1 97 97 ILE N N 97 120.300 120.300 121.794 -1.494 19732 10822 1 20 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.972 -0.153 19732 10823 1 20 . 1 1 97 97 ILE C C 97 174.601 174.601 175.788 -1.187 19732 10824 1 20 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.574 1.230 19732 10825 1 20 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.747 0.312 19732 10826 1 20 . 1 1 97 97 ILE H H 97 7.014 7.014 7.500 -0.486 19732 10827 1 20 . 1 1 98 98 TRP N N 98 120.222 120.222 122.026 -1.804 19732 10828 1 20 . 1 1 98 98 TRP HA H 98 4.062 4.062 2.820 1.242 19732 10829 1 20 . 1 1 98 98 TRP C C 98 176.502 176.502 174.608 1.894 19732 10830 1 20 . 1 1 98 98 TRP CA C 98 57.790 57.790 58.196 -0.406 19732 10831 1 20 . 1 1 98 98 TRP CB C 98 28.963 28.963 27.408 1.555 19732 10832 1 20 . 1 1 98 98 TRP H H 98 7.651 7.651 7.765 -0.114 19732 10833 1 20 . 1 1 99 99 GLY N N 99 109.003 109.003 110.619 -1.616 19732 10834 1 20 . 1 1 99 99 GLY C C 99 170.846 170.846 172.054 -1.208 19732 10835 1 20 . 1 1 99 99 GLY CA C 99 44.637 44.637 43.742 0.895 19732 10836 1 20 . 1 1 99 99 GLY H H 99 7.240 7.240 6.543 0.697 19732 10837 1 20 . 1 1 100 100 PRO HA H 100 4.299 4.299 3.180 1.119 19732 10838 1 20 . 1 1 100 100 PRO C C 100 176.200 176.200 174.865 1.335 19732 10839 1 20 . 1 1 100 100 PRO CA C 100 63.004 63.004 61.504 1.500 19732 10840 1 20 . 1 1 100 100 PRO CB C 100 31.808 31.808 29.123 2.685 19732 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 86 2.130 0.682 2.030 19732 2 1 1 "Average Difference" HA 97 0.219 0.096 0.197 19732 3 1 1 "Average Difference" C 94 0.862 0.072 0.864 19732 4 1 1 "Average Difference" CA 94 0.996 -0.188 0.984 19732 5 1 1 "Average Difference" CB 91 0.880 -0.098 0.880 19732 6 1 1 "Average Difference" HN 86 0.438 0.000 0.441 19732 7 1 2 "Average Difference" N 86 1.990 0.431 1.954 19732 8 1 2 "Average Difference" HA 97 0.259 0.067 0.251 19732 9 1 2 "Average Difference" C 94 0.861 0.045 0.865 19732 10 1 2 "Average Difference" CA 94 1.029 -0.131 1.026 19732 11 1 2 "Average Difference" CB 91 1.080 -0.119 1.079 19732 12 1 2 "Average Difference" HN 86 0.423 -0.025 0.425 19732 13 1 3 "Average Difference" N 86 2.121 0.454 2.084 19732 14 1 3 "Average Difference" HA 97 0.236 0.095 0.217 19732 15 1 3 "Average Difference" C 94 0.907 -0.048 0.910 19732 16 1 3 "Average Difference" CA 94 0.923 -0.162 0.913 19732 17 1 3 "Average Difference" CB 91 0.910 -0.100 0.910 19732 18 1 3 "Average Difference" HN 86 0.407 -0.002 0.410 19732 19 1 4 "Average Difference" N 86 2.243 0.621 2.168 19732 20 1 4 "Average Difference" HA 97 0.229 0.088 0.213 19732 21 1 4 "Average Difference" C 94 0.924 0.005 0.929 19732 22 1 4 "Average Difference" CA 94 0.942 -0.117 0.940 19732 23 1 4 "Average Difference" CB 91 0.901 -0.171 0.890 19732 24 1 4 "Average Difference" HN 86 0.448 0.044 0.448 19732 25 1 5 "Average Difference" N 86 2.052 0.359 2.032 19732 26 1 5 "Average Difference" HA 97 0.240 0.101 0.218 19732 27 1 5 "Average Difference" C 94 0.846 0.011 0.851 19732 28 1 5 "Average Difference" CA 94 0.902 -0.141 0.896 19732 29 1 5 "Average Difference" CB 91 1.150 -0.087 1.153 19732 30 1 5 "Average Difference" HN 86 0.408 -0.000 0.410 19732 31 1 6 "Average Difference" N 86 2.169 0.606 2.095 19732 32 1 6 "Average Difference" HA 97 0.221 0.084 0.206 19732 33 1 6 "Average Difference" C 94 0.908 -0.062 0.911 19732 34 1 6 "Average Difference" CA 94 0.964 -0.090 0.965 19732 35 1 6 "Average Difference" CB 91 0.903 -0.060 0.906 19732 36 1 6 "Average Difference" HN 86 0.452 0.011 0.454 19732 37 1 7 "Average Difference" N 86 2.159 0.551 2.100 19732 38 1 7 "Average Difference" HA 97 0.234 0.113 0.206 19732 39 1 7 "Average Difference" C 94 0.864 0.027 0.868 19732 40 1 7 "Average Difference" CA 94 0.990 -0.157 0.983 19732 41 1 7 "Average Difference" CB 91 0.931 -0.099 0.931 19732 42 1 7 "Average Difference" HN 86 0.407 0.023 0.409 19732 43 1 8 "Average Difference" N 86 2.233 0.761 2.112 19732 44 1 8 "Average Difference" HA 97 0.222 0.075 0.210 19732 45 1 8 "Average Difference" C 94 0.769 -0.008 0.773 19732 46 1 8 "Average Difference" CA 94 0.999 -0.159 0.991 19732 47 1 8 "Average Difference" CB 91 0.843 -0.164 0.831 19732 48 1 8 "Average Difference" HN 86 0.433 -0.024 0.434 19732 49 1 9 "Average Difference" N 86 2.206 0.027 2.219 19732 50 1 9 "Average Difference" HA 97 0.219 0.078 0.206 19732 51 1 9 "Average Difference" C 94 0.860 0.004 0.865 19732 52 1 9 "Average Difference" CA 94 0.943 -0.139 0.938 19732 53 1 9 "Average Difference" CB 91 1.014 -0.204 0.998 19732 54 1 9 "Average Difference" HN 86 0.442 0.006 0.445 19732 55 1 10 "Average Difference" N 86 2.301 0.736 2.193 19732 56 1 10 "Average Difference" HA 97 0.245 0.078 0.234 19732 57 1 10 "Average Difference" C 94 0.822 -0.033 0.826 19732 58 1 10 "Average Difference" CA 94 0.951 -0.061 0.954 19732 59 1 10 "Average Difference" CB 91 0.836 -0.137 0.830 19732 60 1 10 "Average Difference" HN 86 0.375 0.025 0.377 19732 61 1 11 "Average Difference" N 86 2.408 0.753 2.301 19732 62 1 11 "Average Difference" HA 97 0.248 0.120 0.219 19732 63 1 11 "Average Difference" C 94 0.886 -0.059 0.889 19732 64 1 11 "Average Difference" CA 94 0.940 -0.214 0.921 19732 65 1 11 "Average Difference" CB 91 0.932 -0.064 0.935 19732 66 1 11 "Average Difference" HN 86 0.407 0.000 0.409 19732 67 1 12 "Average Difference" N 86 2.147 0.558 2.085 19732 68 1 12 "Average Difference" HA 97 0.233 0.074 0.222 19732 69 1 12 "Average Difference" C 94 0.924 -0.007 0.928 19732 70 1 12 "Average Difference" CA 94 0.960 -0.169 0.951 19732 71 1 12 "Average Difference" CB 91 1.011 -0.117 1.010 19732 72 1 12 "Average Difference" HN 86 0.461 -0.003 0.463 19732 73 1 13 "Average Difference" N 86 2.264 0.736 2.154 19732 74 1 13 "Average Difference" HA 97 0.205 0.086 0.188 19732 75 1 13 "Average Difference" C 94 0.780 -0.017 0.784 19732 76 1 13 "Average Difference" CA 94 0.889 -0.166 0.878 19732 77 1 13 "Average Difference" CB 91 0.826 -0.077 0.827 19732 78 1 13 "Average Difference" HN 86 0.412 0.012 0.414 19732 79 1 14 "Average Difference" N 86 2.244 0.683 2.150 19732 80 1 14 "Average Difference" HA 97 0.233 0.100 0.212 19732 81 1 14 "Average Difference" C 94 0.885 -0.037 0.889 19732 82 1 14 "Average Difference" CA 94 0.942 -0.217 0.922 19732 83 1 14 "Average Difference" CB 91 1.026 -0.097 1.027 19732 84 1 14 "Average Difference" HN 86 0.416 0.023 0.418 19732 85 1 15 "Average Difference" N 86 2.215 0.518 2.166 19732 86 1 15 "Average Difference" HA 97 0.262 0.110 0.239 19732 87 1 15 "Average Difference" C 94 0.833 0.011 0.837 19732 88 1 15 "Average Difference" CA 94 1.002 -0.213 0.985 19732 89 1 15 "Average Difference" CB 91 0.871 -0.114 0.869 19732 90 1 15 "Average Difference" HN 86 0.404 0.012 0.407 19732 91 1 16 "Average Difference" N 86 2.264 0.569 2.204 19732 92 1 16 "Average Difference" HA 97 0.292 0.034 0.292 19732 93 1 16 "Average Difference" C 94 0.829 0.020 0.833 19732 94 1 16 "Average Difference" CA 94 0.945 -0.169 0.934 19732 95 1 16 "Average Difference" CB 91 0.879 -0.149 0.871 19732 96 1 16 "Average Difference" HN 86 0.393 0.001 0.395 19732 97 1 17 "Average Difference" N 86 2.330 0.770 2.212 19732 98 1 17 "Average Difference" HA 97 0.229 0.107 0.204 19732 99 1 17 "Average Difference" C 94 0.806 -0.055 0.809 19732 100 1 17 "Average Difference" CA 94 0.904 -0.152 0.896 19732 101 1 17 "Average Difference" CB 91 0.880 -0.077 0.882 19732 102 1 17 "Average Difference" HN 86 0.448 0.028 0.450 19732 103 1 18 "Average Difference" N 86 2.318 0.703 2.222 19732 104 1 18 "Average Difference" HA 97 0.242 0.088 0.226 19732 105 1 18 "Average Difference" C 94 0.826 0.040 0.829 19732 106 1 18 "Average Difference" CA 94 1.011 -0.118 1.010 19732 107 1 18 "Average Difference" CB 91 0.881 -0.132 0.875 19732 108 1 18 "Average Difference" HN 86 0.411 -0.003 0.413 19732 109 1 19 "Average Difference" N 86 2.261 0.493 2.219 19732 110 1 19 "Average Difference" HA 97 0.217 0.078 0.203 19732 111 1 19 "Average Difference" C 94 0.864 -0.056 0.867 19732 112 1 19 "Average Difference" CA 94 1.009 -0.096 1.009 19732 113 1 19 "Average Difference" CB 91 0.803 -0.027 0.807 19732 114 1 19 "Average Difference" HN 86 0.460 0.039 0.461 19732 115 1 20 "Average Difference" N 86 2.272 0.798 2.140 19732 116 1 20 "Average Difference" HA 97 0.302 0.045 0.300 19732 117 1 20 "Average Difference" C 94 0.903 0.016 0.908 19732 118 1 20 "Average Difference" CA 94 0.934 -0.131 0.930 19732 119 1 20 "Average Difference" CB 91 0.998 -0.176 0.988 19732 120 1 20 "Average Difference" HN 86 0.419 0.006 0.422 19732 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 19732 _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 PRO HA H 2 4.410 4.410 4.537 -0.127 19732 2 1 . 1 1 2 2 PRO C C 2 176.929 176.929 176.251 0.678 19732 3 1 . 1 1 2 2 PRO CA C 2 63.141 63.141 63.060 0.081 19732 4 1 . 1 1 2 2 PRO CB C 2 32.234 32.234 32.072 0.162 19732 5 1 . 1 1 3 3 LEU N N 3 121.746 121.746 122.032 -0.286 19732 6 1 . 1 1 3 3 LEU HA H 3 4.277 4.277 4.412 -0.135 19732 7 1 . 1 1 3 3 LEU C C 3 177.789 177.789 177.545 0.244 19732 8 1 . 1 1 3 3 LEU CA C 3 55.367 55.367 54.770 0.597 19732 9 1 . 1 1 3 3 LEU CB C 3 42.157 42.157 42.311 -0.154 19732 10 1 . 1 1 3 3 LEU H H 3 8.420 8.420 8.169 0.251 19732 11 1 . 1 1 4 4 GLY N N 4 109.400 109.400 110.296 -0.896 19732 12 1 . 1 1 4 4 GLY C C 4 174.208 174.208 174.522 -0.314 19732 13 1 . 1 1 4 4 GLY CA C 4 45.255 45.255 45.255 0.001 19732 14 1 . 1 1 4 4 GLY H H 4 8.326 8.326 8.475 -0.149 19732 15 1 . 1 1 5 5 SER N N 5 115.339 115.339 117.568 -2.229 19732 16 1 . 1 1 5 5 SER HA H 5 4.363 4.363 4.424 -0.061 19732 17 1 . 1 1 5 5 SER C C 5 174.549 174.549 174.419 0.130 19732 18 1 . 1 1 5 5 SER CA C 5 58.443 58.443 58.705 -0.262 19732 19 1 . 1 1 5 5 SER CB C 5 63.773 63.773 63.631 0.142 19732 20 1 . 1 1 5 5 SER H H 5 8.098 8.098 8.162 -0.064 19732 21 1 . 1 1 6 6 MET N N 6 121.404 121.404 121.880 -0.476 19732 22 1 . 1 1 6 6 MET HA H 6 4.427 4.427 4.481 -0.054 19732 23 1 . 1 1 6 6 MET C C 6 175.724 175.724 175.395 0.329 19732 24 1 . 1 1 6 6 MET CA C 6 55.612 55.612 56.123 -0.511 19732 25 1 . 1 1 6 6 MET CB C 6 32.874 32.874 32.553 0.320 19732 26 1 . 1 1 6 6 MET H H 6 8.326 8.326 8.522 -0.196 19732 27 1 . 1 1 7 7 ASP N N 7 120.769 120.769 119.552 1.217 19732 28 1 . 1 1 7 7 ASP HA H 7 4.517 4.517 4.845 -0.328 19732 29 1 . 1 1 7 7 ASP C C 7 176.111 176.111 176.315 -0.204 19732 30 1 . 1 1 7 7 ASP CA C 7 54.136 54.136 54.594 -0.458 19732 31 1 . 1 1 7 7 ASP CB C 7 41.285 41.285 40.449 0.836 19732 32 1 . 1 1 7 7 ASP H H 7 8.114 8.114 8.350 -0.236 19732 33 1 . 1 1 8 8 ALA N N 8 123.543 123.543 122.135 1.408 19732 34 1 . 1 1 8 8 ALA HA H 8 4.059 4.059 4.197 -0.138 19732 35 1 . 1 1 8 8 ALA C C 8 178.788 178.788 178.680 0.108 19732 36 1 . 1 1 8 8 ALA CA C 8 53.931 53.931 54.432 -0.501 19732 37 1 . 1 1 8 8 ALA CB C 8 18.927 18.927 18.820 0.107 19732 38 1 . 1 1 8 8 ALA H H 8 8.248 8.248 7.822 0.426 19732 39 1 . 1 1 9 9 GLU N N 9 118.034 118.034 118.406 -0.372 19732 40 1 . 1 1 9 9 GLU HA H 9 4.126 4.126 4.013 0.113 19732 41 1 . 1 1 9 9 GLU C C 9 177.485 177.485 178.651 -1.166 19732 42 1 . 1 1 9 9 GLU CA C 9 57.840 57.840 59.159 -1.319 19732 43 1 . 1 1 9 9 GLU CB C 9 29.602 29.602 28.343 1.259 19732 44 1 . 1 1 9 9 GLU H H 9 8.255 8.255 8.401 -0.146 19732 45 1 . 1 1 10 10 SER N N 10 115.260 115.260 115.199 0.061 19732 46 1 . 1 1 10 10 SER HA H 10 4.232 4.232 4.256 -0.024 19732 47 1 . 1 1 10 10 SER C C 10 175.552 175.552 175.561 -0.009 19732 48 1 . 1 1 10 10 SER CA C 10 60.015 60.015 61.017 -1.002 19732 49 1 . 1 1 10 10 SER CB C 10 63.225 63.225 62.945 0.280 19732 50 1 . 1 1 10 10 SER H H 10 7.992 7.992 7.905 0.087 19732 51 1 . 1 1 11 11 ILE N N 11 121.199 121.199 119.956 1.243 19732 52 1 . 1 1 11 11 ILE HA H 11 3.890 3.890 4.023 -0.133 19732 53 1 . 1 1 11 11 ILE C C 11 176.411 176.411 177.343 -0.932 19732 54 1 . 1 1 11 11 ILE CA C 11 62.750 62.750 62.921 -0.171 19732 55 1 . 1 1 11 11 ILE CB C 11 38.273 38.273 38.176 0.096 19732 56 1 . 1 1 11 11 ILE H H 11 7.729 7.729 7.424 0.305 19732 57 1 . 1 1 12 12 ARG N N 12 121.248 121.248 118.153 3.094 19732 58 1 . 1 1 12 12 ARG HA H 12 4.113 4.113 4.375 -0.262 19732 59 1 . 1 1 12 12 ARG C C 12 176.970 176.970 176.453 0.517 19732 60 1 . 1 1 12 12 ARG CA C 12 57.077 57.077 55.862 1.215 19732 61 1 . 1 1 12 12 ARG CB C 12 30.496 30.496 30.977 -0.481 19732 62 1 . 1 1 12 12 ARG H H 12 7.853 7.853 7.761 0.092 19732 63 1 . 1 1 13 13 LEU N N 13 120.701 120.701 118.737 1.964 19732 64 1 . 1 1 13 13 LEU HA H 13 4.218 4.218 4.093 0.125 19732 65 1 . 1 1 13 13 LEU C C 13 177.620 177.620 175.910 1.710 19732 66 1 . 1 1 13 13 LEU CA C 13 55.297 55.297 55.812 -0.515 19732 67 1 . 1 1 13 13 LEU CB C 13 42.174 42.174 41.408 0.766 19732 68 1 . 1 1 13 13 LEU H H 13 8.020 8.020 8.072 -0.052 19732 69 1 . 1 1 16 16 GLU N N 16 120.417 120.417 122.384 -1.967 19732 70 1 . 1 1 16 16 GLU HA H 16 4.125 4.125 4.092 0.033 19732 71 1 . 1 1 16 16 GLU C C 16 178.929 178.929 178.286 0.643 19732 72 1 . 1 1 16 16 GLU CA C 16 59.605 59.605 59.858 -0.253 19732 73 1 . 1 1 16 16 GLU CB C 16 29.391 29.391 29.644 -0.253 19732 74 1 . 1 1 16 16 GLU H H 16 8.465 8.465 8.914 -0.449 19732 75 1 . 1 1 17 17 ASN N N 17 118.855 118.855 118.554 0.301 19732 76 1 . 1 1 17 17 ASN HA H 17 4.619 4.619 4.577 0.042 19732 77 1 . 1 1 17 17 ASN C C 17 177.835 177.835 177.699 0.136 19732 78 1 . 1 1 17 17 ASN CA C 17 55.538 55.538 56.097 -0.559 19732 79 1 . 1 1 17 17 ASN CB C 17 38.211 38.211 38.319 -0.108 19732 80 1 . 1 1 17 17 ASN H H 17 8.428 8.428 8.454 -0.026 19732 81 1 . 1 1 18 18 LEU N N 18 123.972 123.972 120.932 3.040 19732 82 1 . 1 1 18 18 LEU HA H 18 4.220 4.220 4.255 -0.035 19732 83 1 . 1 1 18 18 LEU C C 18 178.248 178.248 178.428 -0.180 19732 84 1 . 1 1 18 18 LEU CA C 18 57.885 57.885 57.948 -0.063 19732 85 1 . 1 1 18 18 LEU CB C 18 41.697 41.697 41.422 0.275 19732 86 1 . 1 1 18 18 LEU H H 18 8.208 8.208 7.967 0.241 19732 87 1 . 1 1 19 19 TRP N N 19 119.362 119.362 121.452 -2.090 19732 88 1 . 1 1 19 19 TRP HA H 19 4.166 4.166 4.284 -0.118 19732 89 1 . 1 1 19 19 TRP C C 19 177.617 177.617 177.620 -0.003 19732 90 1 . 1 1 19 19 TRP CA C 19 60.896 60.896 60.488 0.408 19732 91 1 . 1 1 19 19 TRP CB C 19 29.427 29.427 29.870 -0.443 19732 92 1 . 1 1 19 19 TRP H H 19 8.316 8.316 8.125 0.191 19732 93 1 . 1 1 20 20 ALA N N 20 118.581 118.581 121.737 -3.156 19732 94 1 . 1 1 20 20 ALA HA H 20 4.050 4.050 3.900 0.150 19732 95 1 . 1 1 20 20 ALA C C 20 180.422 180.422 179.140 1.282 19732 96 1 . 1 1 20 20 ALA CA C 20 55.164 55.164 55.191 -0.027 19732 97 1 . 1 1 20 20 ALA CB C 20 18.040 18.040 17.891 0.149 19732 98 1 . 1 1 20 20 ALA H H 20 7.957 7.957 8.343 -0.386 19732 99 1 . 1 1 21 21 TRP N N 21 119.753 119.753 120.852 -1.099 19732 100 1 . 1 1 21 21 TRP HA H 21 3.893 3.893 4.258 -0.365 19732 101 1 . 1 1 21 21 TRP C C 21 177.494 177.494 177.704 -0.210 19732 102 1 . 1 1 21 21 TRP CA C 21 62.098 62.098 60.299 1.799 19732 103 1 . 1 1 21 21 TRP CB C 21 28.643 28.643 29.768 -1.125 19732 104 1 . 1 1 21 21 TRP H H 21 8.043 8.043 8.149 -0.106 19732 105 1 . 1 1 22 22 LEU N N 22 122.136 122.136 120.701 1.435 19732 106 1 . 1 1 22 22 LEU HA H 22 3.439 3.439 3.573 -0.134 19732 107 1 . 1 1 22 22 LEU C C 22 178.075 178.075 178.610 -0.535 19732 108 1 . 1 1 22 22 LEU CA C 22 57.755 57.755 57.962 -0.207 19732 109 1 . 1 1 22 22 LEU CB C 22 41.970 41.970 41.385 0.585 19732 110 1 . 1 1 22 22 LEU H H 22 8.553 8.553 8.153 0.400 19732 111 1 . 1 1 23 23 VAL N N 23 118.034 118.034 118.577 -0.543 19732 112 1 . 1 1 23 23 VAL HA H 23 3.313 3.313 3.280 0.033 19732 113 1 . 1 1 23 23 VAL C C 23 178.401 178.401 178.008 0.392 19732 114 1 . 1 1 23 23 VAL CA C 23 67.124 67.124 66.843 0.281 19732 115 1 . 1 1 23 23 VAL CB C 23 31.300 31.300 31.016 0.284 19732 116 1 . 1 1 23 23 VAL H H 23 8.341 8.341 8.187 0.154 19732 117 1 . 1 1 24 24 ARG N N 24 120.377 120.377 118.461 1.916 19732 118 1 . 1 1 24 24 ARG HA H 24 3.814 3.814 3.955 -0.141 19732 119 1 . 1 1 24 24 ARG C C 24 179.205 179.205 178.642 0.563 19732 120 1 . 1 1 24 24 ARG CA C 24 60.104 60.104 58.704 1.400 19732 121 1 . 1 1 24 24 ARG CB C 24 30.036 30.036 29.948 0.088 19732 122 1 . 1 1 24 24 ARG H H 24 7.856 7.856 7.778 0.078 19732 123 1 . 1 1 25 25 LEU N N 25 121.668 121.668 120.855 0.813 19732 124 1 . 1 1 25 25 LEU HA H 25 3.663 3.663 3.892 -0.229 19732 125 1 . 1 1 25 25 LEU C C 25 179.943 179.943 178.948 0.995 19732 126 1 . 1 1 25 25 LEU CA C 25 58.048 58.048 57.300 0.748 19732 127 1 . 1 1 25 25 LEU CB C 25 41.028 41.028 40.911 0.117 19732 128 1 . 1 1 25 25 LEU H H 25 7.838 7.838 7.879 -0.041 19732 129 1 . 1 1 26 26 LEU N N 26 118.308 118.308 118.074 0.234 19732 130 1 . 1 1 26 26 LEU HA H 26 3.911 3.911 4.061 -0.150 19732 131 1 . 1 1 26 26 LEU C C 26 179.471 179.471 179.366 0.105 19732 132 1 . 1 1 26 26 LEU CA C 26 57.473 57.473 57.415 0.058 19732 133 1 . 1 1 26 26 LEU CB C 26 41.029 41.029 40.911 0.118 19732 134 1 . 1 1 26 26 LEU H H 26 8.247 8.247 8.349 -0.102 19732 135 1 . 1 1 27 27 SER N N 27 115.768 115.768 114.256 1.512 19732 136 1 . 1 1 27 27 SER HA H 27 4.020 4.020 4.235 -0.215 19732 137 1 . 1 1 27 27 SER C C 27 174.990 174.990 175.139 -0.149 19732 138 1 . 1 1 27 27 SER CA C 27 61.755 61.755 60.723 1.032 19732 139 1 . 1 1 27 27 SER CB C 27 62.755 62.755 62.825 -0.070 19732 140 1 . 1 1 27 27 SER H H 27 8.436 8.436 7.989 0.447 19732 141 1 . 1 1 28 28 LYS N N 28 117.644 117.644 117.863 -0.219 19732 142 1 . 1 1 28 28 LYS HA H 28 4.314 4.314 4.322 -0.008 19732 143 1 . 1 1 28 28 LYS C C 28 175.979 175.979 176.299 -0.320 19732 144 1 . 1 1 28 28 LYS CA C 28 56.187 56.187 56.422 -0.235 19732 145 1 . 1 1 28 28 LYS CB C 28 32.791 32.791 32.840 -0.049 19732 146 1 . 1 1 28 28 LYS H H 28 7.014 7.014 7.423 -0.409 19732 147 1 . 1 1 29 29 ASN N N 29 118.347 118.347 117.562 0.785 19732 148 1 . 1 1 29 29 ASN HA H 29 5.282 5.282 5.242 0.040 19732 149 1 . 1 1 29 29 ASN C C 29 171.835 171.835 173.439 -1.604 19732 150 1 . 1 1 29 29 ASN CA C 29 52.325 52.325 51.401 0.924 19732 151 1 . 1 1 29 29 ASN CB C 29 41.626 41.626 39.230 2.396 19732 152 1 . 1 1 29 29 ASN H H 29 7.611 7.611 7.741 -0.130 19732 153 1 . 1 1 30 30 PRO HA H 30 4.451 4.451 4.458 -0.007 19732 154 1 . 1 1 30 30 PRO C C 30 179.560 179.560 178.230 1.330 19732 155 1 . 1 1 30 30 PRO CA C 30 65.869 65.869 65.018 0.851 19732 156 1 . 1 1 30 30 PRO CB C 30 31.402 31.402 31.994 -0.592 19732 157 1 . 1 1 31 31 GLU N N 31 119.636 119.636 118.420 1.216 19732 158 1 . 1 1 31 31 GLU HA H 31 4.126 4.126 4.153 -0.027 19732 159 1 . 1 1 31 31 GLU C C 31 179.253 179.253 178.738 0.515 19732 160 1 . 1 1 31 31 GLU CA C 31 59.672 59.672 59.544 0.128 19732 161 1 . 1 1 31 31 GLU CB C 31 28.365 28.365 29.034 -0.669 19732 162 1 . 1 1 31 31 GLU H H 31 8.593 8.593 8.835 -0.242 19732 163 1 . 1 1 32 32 TRP N N 32 122.293 122.293 122.096 0.197 19732 164 1 . 1 1 32 32 TRP HA H 32 4.033 4.033 4.417 -0.384 19732 165 1 . 1 1 32 32 TRP C C 32 178.055 178.055 177.959 0.096 19732 166 1 . 1 1 32 32 TRP CA C 32 61.856 61.856 60.921 0.935 19732 167 1 . 1 1 32 32 TRP CB C 32 29.116 29.116 29.741 -0.625 19732 168 1 . 1 1 32 32 TRP H H 32 7.933 7.933 7.563 0.370 19732 169 1 . 1 1 33 33 LEU N N 33 117.409 117.409 120.805 -3.396 19732 170 1 . 1 1 33 33 LEU HA H 33 3.890 3.890 3.728 0.162 19732 171 1 . 1 1 33 33 LEU C C 33 177.934 177.934 178.763 -0.829 19732 172 1 . 1 1 33 33 LEU CA C 33 58.178 58.178 58.066 0.112 19732 173 1 . 1 1 33 33 LEU CB C 33 41.558 41.558 41.365 0.193 19732 174 1 . 1 1 33 33 LEU H H 33 8.012 8.012 8.447 -0.435 19732 175 1 . 1 1 34 34 SER N N 34 113.257 113.257 115.020 -1.763 19732 176 1 . 1 1 34 34 SER HA H 34 3.975 3.975 4.043 -0.068 19732 177 1 . 1 1 34 34 SER C C 34 176.363 176.363 176.531 -0.168 19732 178 1 . 1 1 34 34 SER CA C 34 62.194 62.194 61.972 0.222 19732 179 1 . 1 1 34 34 SER CB C 34 62.739 62.739 62.544 0.195 19732 180 1 . 1 1 34 34 SER H H 34 8.335 8.335 8.308 0.027 19732 181 1 . 1 1 35 35 ALA N N 35 121.511 121.511 124.532 -3.021 19732 182 1 . 1 1 35 35 ALA HA H 35 3.957 3.957 3.939 0.018 19732 183 1 . 1 1 35 35 ALA C C 35 180.728 180.728 179.555 1.173 19732 184 1 . 1 1 35 35 ALA CA C 35 54.889 54.889 54.940 -0.051 19732 185 1 . 1 1 35 35 ALA CB C 35 17.775 17.775 18.164 -0.389 19732 186 1 . 1 1 35 35 ALA H H 35 7.391 7.391 7.479 -0.088 19732 187 1 . 1 1 36 36 LYS N N 36 118.386 118.386 117.791 0.595 19732 188 1 . 1 1 36 36 LYS HA H 36 3.834 3.834 4.014 -0.180 19732 189 1 . 1 1 36 36 LYS C C 36 179.578 179.578 179.178 0.400 19732 190 1 . 1 1 36 36 LYS CA C 36 56.597 56.597 57.878 -1.281 19732 191 1 . 1 1 36 36 LYS CB C 36 30.483 30.483 31.943 -1.460 19732 192 1 . 1 1 36 36 LYS H H 36 7.823 7.823 7.387 0.436 19732 193 1 . 1 1 37 37 LEU N N 37 119.480 119.480 119.847 -0.367 19732 194 1 . 1 1 37 37 LEU HA H 37 3.890 3.890 4.074 -0.184 19732 195 1 . 1 1 37 37 LEU C C 37 178.529 178.529 178.743 -0.214 19732 196 1 . 1 1 37 37 LEU CA C 37 58.647 58.647 58.329 0.318 19732 197 1 . 1 1 37 37 LEU CB C 37 41.148 41.148 41.328 -0.180 19732 198 1 . 1 1 37 37 LEU H H 37 8.725 8.725 8.541 0.184 19732 199 1 . 1 1 38 38 ARG N N 38 115.612 115.612 117.419 -1.807 19732 200 1 . 1 1 38 38 ARG HA H 38 3.997 3.997 4.031 -0.034 19732 201 1 . 1 1 38 38 ARG C C 38 177.661 177.661 177.848 -0.187 19732 202 1 . 1 1 38 38 ARG CA C 38 58.512 58.512 59.020 -0.508 19732 203 1 . 1 1 38 38 ARG CB C 38 29.935 29.935 29.814 0.121 19732 204 1 . 1 1 38 38 ARG H H 38 7.446 7.446 7.917 -0.471 19732 205 1 . 1 1 39 39 SER N N 39 111.883 111.883 113.494 -1.611 19732 206 1 . 1 1 39 39 SER HA H 39 4.160 4.160 4.189 -0.029 19732 207 1 . 1 1 39 39 SER C C 39 175.401 175.401 175.369 0.032 19732 208 1 . 1 1 39 39 SER CA C 39 60.359 60.359 60.400 -0.041 19732 209 1 . 1 1 39 39 SER CB C 39 63.228 63.228 63.045 0.183 19732 210 1 . 1 1 39 39 SER H H 39 7.353 7.353 7.478 -0.125 19732 211 1 . 1 1 40 40 PHE N N 40 117.136 117.136 118.918 -1.782 19732 212 1 . 1 1 40 40 PHE HA H 40 4.614 4.614 4.446 0.168 19732 213 1 . 1 1 40 40 PHE C C 40 175.852 175.852 176.017 -0.165 19732 214 1 . 1 1 40 40 PHE CA C 40 59.710 59.710 60.109 -0.399 19732 215 1 . 1 1 40 40 PHE CB C 40 41.694 41.694 39.672 2.022 19732 216 1 . 1 1 40 40 PHE H H 40 7.792 7.792 7.428 0.364 19732 217 1 . 1 1 41 41 LEU N N 41 119.050 119.050 119.385 -0.335 19732 218 1 . 1 1 41 41 LEU HA H 41 4.877 4.877 4.643 0.234 19732 219 1 . 1 1 41 41 LEU C C 41 174.510 174.510 176.099 -1.589 19732 220 1 . 1 1 41 41 LEU CA C 41 52.092 52.092 52.374 -0.282 19732 221 1 . 1 1 41 41 LEU CB C 41 42.037 42.037 41.435 0.602 19732 222 1 . 1 1 41 41 LEU H H 41 8.114 8.114 8.173 -0.059 19732 223 1 . 1 1 42 42 PRO HA H 42 4.302 4.302 4.456 -0.154 19732 224 1 . 1 1 42 42 PRO C C 42 177.620 177.620 177.142 0.478 19732 225 1 . 1 1 42 42 PRO CA C 42 63.771 63.771 64.416 -0.645 19732 226 1 . 1 1 42 42 PRO CB C 42 31.681 31.681 32.190 -0.509 19732 227 1 . 1 1 43 43 THR N N 43 109.752 109.752 109.451 0.301 19732 228 1 . 1 1 43 43 THR HA H 43 4.256 4.256 4.433 -0.177 19732 229 1 . 1 1 43 43 THR C C 43 174.467 174.467 174.053 0.414 19732 230 1 . 1 1 43 43 THR CA C 43 61.657 61.657 60.220 1.437 19732 231 1 . 1 1 43 43 THR CB C 43 69.450 69.450 68.707 0.743 19732 232 1 . 1 1 43 43 THR H H 43 7.671 7.671 7.793 -0.122 19732 233 1 . 1 1 44 44 MET N N 44 121.568 121.568 121.805 -0.237 19732 234 1 . 1 1 44 44 MET HA H 44 4.363 4.363 4.301 0.062 19732 235 1 . 1 1 44 44 MET C C 44 175.373 175.373 175.474 -0.101 19732 236 1 . 1 1 44 44 MET CA C 44 55.710 55.710 55.761 -0.051 19732 237 1 . 1 1 44 44 MET CB C 44 32.989 32.989 31.984 1.005 19732 238 1 . 1 1 44 44 MET H H 44 8.037 8.037 7.557 0.480 19732 239 1 . 1 1 45 45 ASP N N 45 121.980 121.980 125.614 -3.634 19732 240 1 . 1 1 45 45 ASP HA H 45 4.521 4.521 4.774 -0.253 19732 241 1 . 1 1 45 45 ASP C C 45 176.022 176.022 175.961 0.061 19732 242 1 . 1 1 45 45 ASP CA C 45 54.371 54.371 53.388 0.983 19732 243 1 . 1 1 45 45 ASP CB C 45 41.147 41.147 40.098 1.049 19732 244 1 . 1 1 45 45 ASP H H 45 8.230 8.230 8.582 -0.352 19732 245 1 . 1 1 46 46 LEU N N 46 122.192 122.192 118.165 4.027 19732 246 1 . 1 1 46 46 LEU HA H 46 4.144 4.144 4.505 -0.361 19732 247 1 . 1 1 46 46 LEU C C 46 177.018 177.018 177.378 -0.360 19732 248 1 . 1 1 46 46 LEU CA C 46 55.913 55.913 55.667 0.246 19732 249 1 . 1 1 46 46 LEU CB C 46 42.176 42.176 42.038 0.138 19732 250 1 . 1 1 46 46 LEU H H 46 8.028 8.028 7.581 0.447 19732 251 1 . 1 1 47 47 ASP N N 47 120.573 120.573 119.169 1.404 19732 252 1 . 1 1 47 47 ASP HA H 47 4.525 4.525 4.480 0.045 19732 253 1 . 1 1 47 47 ASP C C 47 176.370 176.370 176.172 0.198 19732 254 1 . 1 1 47 47 ASP CA C 47 54.207 54.207 54.994 -0.787 19732 255 1 . 1 1 47 47 ASP CB C 47 41.154 41.154 40.549 0.605 19732 256 1 . 1 1 47 47 ASP H H 47 8.238 8.238 8.457 -0.219 19732 257 1 . 1 1 48 48 CYS N N 48 118.464 118.464 119.995 -1.531 19732 258 1 . 1 1 48 48 CYS HA H 48 4.429 4.429 4.455 -0.026 19732 259 1 . 1 1 48 48 CYS C C 48 174.340 174.340 174.189 0.151 19732 260 1 . 1 1 48 48 CYS CA C 48 58.513 58.513 58.390 0.123 19732 261 1 . 1 1 48 48 CYS CB C 48 27.953 27.953 27.199 0.754 19732 262 1 . 1 1 48 48 CYS H H 48 8.068 8.068 7.649 0.419 19732 263 1 . 1 1 49 49 SER N N 49 116.784 116.784 120.534 -3.750 19732 264 1 . 1 1 49 49 SER HA H 49 4.302 4.302 4.279 0.023 19732 265 1 . 1 1 49 49 SER C C 49 173.897 173.897 174.370 -0.473 19732 266 1 . 1 1 49 49 SER CA C 49 58.718 58.718 57.394 1.324 19732 267 1 . 1 1 49 49 SER CB C 49 63.636 63.636 62.255 1.381 19732 268 1 . 1 1 49 49 SER H H 49 8.185 8.185 8.158 0.027 19732 269 1 . 1 1 50 50 TYR N N 50 120.886 120.886 122.010 -1.124 19732 270 1 . 1 1 50 50 TYR HA H 50 4.512 4.512 4.478 0.034 19732 271 1 . 1 1 50 50 TYR C C 50 174.818 174.818 176.163 -1.345 19732 272 1 . 1 1 50 50 TYR CA C 50 57.486 57.486 58.378 -0.892 19732 273 1 . 1 1 50 50 TYR CB C 50 38.796 38.796 38.146 0.650 19732 274 1 . 1 1 50 50 TYR H H 50 7.776 7.776 7.288 0.488 19732 275 1 . 1 1 51 51 GLU N N 51 122.800 122.800 118.892 3.908 19732 276 1 . 1 1 51 51 GLU HA H 51 4.555 4.555 4.787 -0.232 19732 277 1 . 1 1 51 51 GLU C C 51 174.508 174.508 174.361 0.147 19732 278 1 . 1 1 51 51 GLU CA C 51 53.928 53.928 53.265 0.663 19732 279 1 . 1 1 51 51 GLU CB C 51 30.225 30.225 31.252 -1.027 19732 280 1 . 1 1 51 51 GLU H H 51 8.026 8.026 7.901 0.125 19732 281 1 . 1 1 52 52 PRO HA H 52 4.302 4.302 4.481 -0.179 19732 282 1 . 1 1 52 52 PRO C C 52 176.065 176.065 177.565 -1.500 19732 283 1 . 1 1 52 52 PRO CA C 52 63.684 63.684 62.624 1.060 19732 284 1 . 1 1 52 52 PRO CB C 52 31.563 31.563 32.230 -0.668 19732 285 1 . 1 1 53 53 SER N N 53 110.611 110.611 115.424 -4.813 19732 286 1 . 1 1 53 53 SER HA H 53 4.302 4.302 4.339 -0.037 19732 287 1 . 1 1 53 53 SER C C 53 173.858 173.858 173.846 0.012 19732 288 1 . 1 1 53 53 SER CA C 53 58.508 58.508 58.233 0.275 19732 289 1 . 1 1 53 53 SER CB C 53 63.636 63.636 61.394 2.242 19732 290 1 . 1 1 53 53 SER H H 53 7.934 7.934 8.589 -0.655 19732 291 1 . 1 1 54 54 ASN N N 54 121.155 121.155 122.654 -1.499 19732 292 1 . 1 1 54 54 ASN HA H 54 4.878 4.878 4.772 0.106 19732 293 1 . 1 1 54 54 ASN C C 54 174.167 174.167 175.025 -0.858 19732 294 1 . 1 1 54 54 ASN CA C 54 51.471 51.471 52.586 -1.115 19732 295 1 . 1 1 54 54 ASN CB C 54 39.004 39.004 38.152 0.852 19732 296 1 . 1 1 54 54 ASN H H 54 7.666 7.666 7.945 -0.279 19732 297 1 . 1 1 55 55 PRO HA H 55 4.029 4.029 4.169 -0.140 19732 298 1 . 1 1 55 55 PRO C C 55 177.787 177.787 178.557 -0.770 19732 299 1 . 1 1 55 55 PRO CA C 55 65.586 65.586 66.063 -0.477 19732 300 1 . 1 1 55 55 PRO CB C 55 32.363 32.363 31.977 0.386 19732 301 1 . 1 1 56 56 GLU N N 56 117.292 117.292 117.129 0.163 19732 302 1 . 1 1 56 56 GLU HA H 56 4.070 4.070 4.326 -0.256 19732 303 1 . 1 1 56 56 GLU C C 56 179.258 179.258 179.069 0.189 19732 304 1 . 1 1 56 56 GLU CA C 56 59.472 59.472 59.330 0.142 19732 305 1 . 1 1 56 56 GLU CB C 56 29.124 29.124 28.920 0.204 19732 306 1 . 1 1 56 56 GLU H H 56 8.153 8.153 8.899 -0.746 19732 307 1 . 1 1 57 57 VAL N N 57 120.730 120.730 120.819 -0.089 19732 308 1 . 1 1 57 57 VAL HA H 57 3.568 3.568 3.858 -0.290 19732 309 1 . 1 1 57 57 VAL C C 57 178.039 178.039 178.003 0.036 19732 310 1 . 1 1 57 57 VAL CA C 57 65.965 65.965 66.204 -0.239 19732 311 1 . 1 1 57 57 VAL CB C 57 31.985 31.985 31.658 0.327 19732 312 1 . 1 1 57 57 VAL H H 57 7.556 7.556 7.498 0.058 19732 313 1 . 1 1 58 58 ILE N N 58 119.892 119.892 120.022 -0.130 19732 314 1 . 1 1 58 58 ILE HA H 58 3.710 3.710 3.865 -0.155 19732 315 1 . 1 1 58 58 ILE C C 58 178.096 178.096 178.126 -0.030 19732 316 1 . 1 1 58 58 ILE CA C 58 65.212 65.212 63.845 1.367 19732 317 1 . 1 1 58 58 ILE CB C 58 37.318 37.318 36.381 0.937 19732 318 1 . 1 1 58 58 ILE H H 58 7.784 7.784 8.436 -0.652 19732 319 1 . 1 1 59 59 HIS N N 59 117.644 117.644 119.889 -2.245 19732 320 1 . 1 1 59 59 HIS HA H 59 4.147 4.147 4.434 -0.287 19732 321 1 . 1 1 59 59 HIS C C 59 177.576 177.576 177.697 -0.121 19732 322 1 . 1 1 59 59 HIS CA C 59 60.495 60.495 60.363 0.132 19732 323 1 . 1 1 59 59 HIS CB C 59 30.279 30.279 30.444 -0.165 19732 324 1 . 1 1 59 59 HIS H H 59 8.350 8.350 8.534 -0.184 19732 325 1 . 1 1 60 60 ARG N N 60 118.248 118.248 119.011 -0.763 19732 326 1 . 1 1 60 60 ARG HA H 60 4.046 4.046 3.944 0.102 19732 327 1 . 1 1 60 60 ARG C C 60 179.642 179.642 178.698 0.944 19732 328 1 . 1 1 60 60 ARG CA C 60 59.946 59.946 59.588 0.358 19732 329 1 . 1 1 60 60 ARG CB C 60 30.307 30.307 29.889 0.418 19732 330 1 . 1 1 60 60 ARG H H 60 7.776 7.776 8.127 -0.352 19732 331 1 . 1 1 61 61 GLN N N 61 119.475 119.475 118.559 0.916 19732 332 1 . 1 1 61 61 GLN HA H 61 4.066 4.066 4.087 -0.021 19732 333 1 . 1 1 61 61 GLN C C 61 178.650 178.650 178.667 -0.017 19732 334 1 . 1 1 61 61 GLN CA C 61 59.025 59.025 58.791 0.234 19732 335 1 . 1 1 61 61 GLN CB C 61 28.152 28.152 28.713 -0.561 19732 336 1 . 1 1 61 61 GLN H H 61 8.460 8.460 7.659 0.801 19732 337 1 . 1 1 62 62 LEU N N 62 117.882 117.882 119.669 -1.787 19732 338 1 . 1 1 62 62 LEU HA H 62 4.128 4.128 4.223 -0.095 19732 339 1 . 1 1 62 62 LEU C C 62 179.260 179.260 178.940 0.320 19732 340 1 . 1 1 62 62 LEU CA C 62 57.995 57.995 56.935 1.060 19732 341 1 . 1 1 62 62 LEU CB C 62 41.631 41.631 41.221 0.410 19732 342 1 . 1 1 62 62 LEU H H 62 8.742 8.742 8.475 0.267 19732 343 1 . 1 1 63 63 ASN N N 63 117.409 117.409 118.512 -1.103 19732 344 1 . 1 1 63 63 ASN HA H 63 4.230 4.230 4.177 0.053 19732 345 1 . 1 1 63 63 ASN C C 63 178.050 178.050 177.480 0.570 19732 346 1 . 1 1 63 63 ASN CA C 63 56.665 56.665 56.439 0.226 19732 347 1 . 1 1 63 63 ASN CB C 63 38.678 38.678 38.511 0.167 19732 348 1 . 1 1 63 63 ASN H H 63 8.279 8.279 8.444 -0.165 19732 349 1 . 1 1 64 64 ARG N N 64 119.753 119.753 119.099 0.654 19732 350 1 . 1 1 64 64 ARG HA H 64 4.042 4.042 4.070 -0.028 19732 351 1 . 1 1 64 64 ARG C C 64 178.914 178.914 178.761 0.153 19732 352 1 . 1 1 64 64 ARG CA C 64 58.860 58.860 58.440 0.420 19732 353 1 . 1 1 64 64 ARG CB C 64 29.769 29.769 29.750 0.019 19732 354 1 . 1 1 64 64 ARG H H 64 7.784 7.784 7.812 -0.028 19732 355 1 . 1 1 65 65 LEU N N 65 120.009 120.009 119.302 0.707 19732 356 1 . 1 1 65 65 LEU HA H 65 3.939 3.939 4.033 -0.094 19732 357 1 . 1 1 65 65 LEU C C 65 178.481 178.481 178.781 -0.300 19732 358 1 . 1 1 65 65 LEU CA C 65 58.307 58.307 57.457 0.850 19732 359 1 . 1 1 65 65 LEU CB C 65 42.457 42.457 41.606 0.851 19732 360 1 . 1 1 65 65 LEU H H 65 7.779 7.779 7.527 0.252 19732 361 1 . 1 1 66 66 PHE N N 66 118.503 118.503 120.042 -1.539 19732 362 1 . 1 1 66 66 PHE HA H 66 3.975 3.975 4.383 -0.408 19732 363 1 . 1 1 66 66 PHE C C 66 178.269 178.269 176.462 1.807 19732 364 1 . 1 1 66 66 PHE CA C 66 60.837 60.837 60.094 0.743 19732 365 1 . 1 1 66 66 PHE CB C 66 38.751 38.751 38.913 -0.162 19732 366 1 . 1 1 66 66 PHE H H 66 8.287 8.287 7.777 0.510 19732 367 1 . 1 1 67 67 ALA N N 67 119.206 119.206 120.186 -0.980 19732 368 1 . 1 1 67 67 ALA HA H 67 3.899 3.899 4.054 -0.154 19732 369 1 . 1 1 67 67 ALA C C 67 178.876 178.876 179.122 -0.246 19732 370 1 . 1 1 67 67 ALA CA C 67 53.658 53.658 53.922 -0.264 19732 371 1 . 1 1 67 67 ALA CB C 67 18.041 18.041 18.581 -0.540 19732 372 1 . 1 1 67 67 ALA H H 67 7.902 7.902 7.786 0.116 19732 373 1 . 1 1 68 68 GLN N N 68 115.534 115.534 117.222 -1.688 19732 374 1 . 1 1 68 68 GLN HA H 68 4.115 4.115 4.255 -0.140 19732 375 1 . 1 1 68 68 GLN C C 68 177.274 177.274 176.971 0.303 19732 376 1 . 1 1 68 68 GLN CA C 68 56.396 56.396 56.385 0.011 19732 377 1 . 1 1 68 68 GLN CB C 68 28.841 28.841 29.802 -0.961 19732 378 1 . 1 1 68 68 GLN H H 68 7.572 7.572 7.693 -0.121 19732 379 1 . 1 1 69 69 GLY N N 69 106.861 106.861 105.085 1.776 19732 380 1 . 1 1 69 69 GLY C C 69 173.690 173.690 173.499 0.191 19732 381 1 . 1 1 69 69 GLY CA C 69 43.887 43.887 45.122 -1.235 19732 382 1 . 1 1 69 69 GLY H H 69 7.486 7.486 7.860 -0.374 19732 383 1 . 1 1 70 70 MET N N 70 119.355 119.355 120.909 -1.554 19732 384 1 . 1 1 70 70 MET HA H 70 4.117 4.117 3.975 0.142 19732 385 1 . 1 1 70 70 MET C C 70 177.743 177.743 177.007 0.736 19732 386 1 . 1 1 70 70 MET CA C 70 57.396 57.396 58.211 -0.815 19732 387 1 . 1 1 70 70 MET CB C 70 30.638 30.638 32.122 -1.484 19732 388 1 . 1 1 70 70 MET H H 70 8.245 8.245 8.449 -0.204 19732 389 1 . 1 1 71 71 ALA N N 71 120.691 120.691 122.509 -1.818 19732 390 1 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.146 -0.083 19732 391 1 . 1 1 71 71 ALA C C 71 181.027 181.027 179.623 1.404 19732 392 1 . 1 1 71 71 ALA CA C 71 55.642 55.642 54.917 0.724 19732 393 1 . 1 1 71 71 ALA CB C 71 17.565 17.565 17.951 -0.386 19732 394 1 . 1 1 71 71 ALA H H 71 8.624 8.624 8.270 0.354 19732 395 1 . 1 1 72 72 THR N N 72 116.354 116.354 115.688 0.666 19732 396 1 . 1 1 72 72 THR HA H 72 3.825 3.825 4.032 -0.207 19732 397 1 . 1 1 72 72 THR C C 72 174.861 174.861 176.244 -1.383 19732 398 1 . 1 1 72 72 THR CA C 72 66.992 66.992 66.930 0.062 19732 399 1 . 1 1 72 72 THR CB C 72 68.355 68.355 68.556 -0.201 19732 400 1 . 1 1 72 72 THR H H 72 7.525 7.525 7.870 -0.345 19732 401 1 . 1 1 73 73 TRP N N 73 122.292 122.292 122.687 -0.395 19732 402 1 . 1 1 73 73 TRP HA H 73 4.331 4.331 4.269 0.062 19732 403 1 . 1 1 73 73 TRP C C 73 176.757 176.757 177.499 -0.742 19732 404 1 . 1 1 73 73 TRP CA C 73 60.559 60.559 61.007 -0.448 19732 405 1 . 1 1 73 73 TRP CB C 73 30.356 30.356 29.915 0.441 19732 406 1 . 1 1 73 73 TRP H H 73 8.090 8.090 8.304 -0.214 19732 407 1 . 1 1 74 74 LYS N N 74 115.768 115.768 118.420 -2.652 19732 408 1 . 1 1 74 74 LYS HA H 74 3.739 3.739 3.932 -0.193 19732 409 1 . 1 1 74 74 LYS C C 74 178.957 178.957 179.325 -0.368 19732 410 1 . 1 1 74 74 LYS CA C 74 60.433 60.433 60.175 0.258 19732 411 1 . 1 1 74 74 LYS CB C 74 32.322 32.322 32.196 0.126 19732 412 1 . 1 1 74 74 LYS H H 74 9.001 9.001 7.983 1.018 19732 413 1 . 1 1 75 75 SER N N 75 115.378 115.378 115.982 -0.604 19732 414 1 . 1 1 75 75 SER HA H 75 4.211 4.211 4.291 -0.080 19732 415 1 . 1 1 75 75 SER C C 75 175.465 175.465 176.338 -0.873 19732 416 1 . 1 1 75 75 SER CA C 75 61.999 61.999 61.846 0.153 19732 417 1 . 1 1 75 75 SER CB C 75 63.160 63.160 63.152 0.008 19732 418 1 . 1 1 75 75 SER H H 75 7.604 7.604 8.195 -0.591 19732 419 1 . 1 1 76 76 PHE N N 76 121.707 121.707 123.959 -2.252 19732 420 1 . 1 1 76 76 PHE HA H 76 4.016 4.016 4.222 -0.206 19732 421 1 . 1 1 76 76 PHE C C 76 175.983 175.983 176.943 -0.960 19732 422 1 . 1 1 76 76 PHE CA C 76 61.482 61.482 61.322 0.160 19732 423 1 . 1 1 76 76 PHE CB C 76 38.279 38.279 38.891 -0.612 19732 424 1 . 1 1 76 76 PHE H H 76 8.200 8.200 8.327 -0.127 19732 425 1 . 1 1 77 77 ILE N N 77 117.448 117.448 118.345 -0.897 19732 426 1 . 1 1 77 77 ILE HA H 77 3.331 3.331 3.398 -0.067 19732 427 1 . 1 1 77 77 ILE C C 77 177.919 177.919 178.042 -0.123 19732 428 1 . 1 1 77 77 ILE CA C 77 60.494 60.494 63.521 -3.027 19732 429 1 . 1 1 77 77 ILE CB C 77 34.722 34.722 36.134 -1.412 19732 430 1 . 1 1 77 77 ILE H H 77 8.193 8.193 8.530 -0.337 19732 431 1 . 1 1 78 78 ASN N N 78 119.831 119.831 119.587 0.244 19732 432 1 . 1 1 78 78 ASN HA H 78 4.218 4.218 4.471 -0.253 19732 433 1 . 1 1 78 78 ASN C C 78 177.228 177.228 177.540 -0.312 19732 434 1 . 1 1 78 78 ASN CA C 78 57.791 57.791 56.707 1.084 19732 435 1 . 1 1 78 78 ASN CB C 78 39.304 39.304 38.524 0.780 19732 436 1 . 1 1 78 78 ASN H H 78 8.224 8.224 7.971 0.253 19732 437 1 . 1 1 79 79 ASP N N 79 119.402 119.402 121.130 -1.728 19732 438 1 . 1 1 79 79 ASP HA H 79 4.489 4.489 4.549 -0.060 19732 439 1 . 1 1 79 79 ASP C C 79 177.600 177.600 178.447 -0.848 19732 440 1 . 1 1 79 79 ASP CA C 79 57.575 57.575 57.262 0.313 19732 441 1 . 1 1 79 79 ASP CB C 79 39.917 39.917 40.838 -0.921 19732 442 1 . 1 1 79 79 ASP H H 79 8.028 8.028 7.806 0.222 19732 443 1 . 1 1 80 80 LEU N N 80 122.293 122.293 121.954 0.339 19732 444 1 . 1 1 80 80 LEU HA H 80 3.488 3.488 3.641 -0.153 19732 445 1 . 1 1 80 80 LEU C C 80 178.561 178.561 178.342 0.219 19732 446 1 . 1 1 80 80 LEU CA C 80 59.332 59.332 58.363 0.969 19732 447 1 . 1 1 80 80 LEU CB C 80 42.380 42.380 41.196 1.184 19732 448 1 . 1 1 80 80 LEU H H 80 8.491 8.491 8.360 0.131 19732 449 1 . 1 1 81 81 CYS N N 81 114.479 114.479 115.986 -1.507 19732 450 1 . 1 1 81 81 CYS HA H 81 3.931 3.931 4.074 -0.143 19732 451 1 . 1 1 81 81 CYS C C 81 176.754 176.754 177.016 -0.262 19732 452 1 . 1 1 81 81 CYS CA C 81 63.543 63.543 62.852 0.691 19732 453 1 . 1 1 81 81 CYS CB C 81 26.657 26.657 26.653 0.004 19732 454 1 . 1 1 81 81 CYS H H 81 8.169 8.169 8.153 0.016 19732 455 1 . 1 1 82 82 PHE N N 82 115.964 115.964 121.324 -5.360 19732 456 1 . 1 1 82 82 PHE HA H 82 4.322 4.322 4.220 0.102 19732 457 1 . 1 1 82 82 PHE C C 82 178.485 178.485 176.991 1.494 19732 458 1 . 1 1 82 82 PHE CA C 82 60.876 60.876 61.247 -0.371 19732 459 1 . 1 1 82 82 PHE CB C 82 39.831 39.831 39.492 0.339 19732 460 1 . 1 1 82 82 PHE H H 82 7.863 7.863 7.624 0.239 19732 461 1 . 1 1 83 83 GLU N N 83 116.314 116.314 117.994 -1.680 19732 462 1 . 1 1 83 83 GLU HA H 83 4.045 4.045 4.086 -0.041 19732 463 1 . 1 1 83 83 GLU C C 83 177.877 177.877 178.028 -0.151 19732 464 1 . 1 1 83 83 GLU CA C 83 58.745 58.745 58.474 0.271 19732 465 1 . 1 1 83 83 GLU CB C 83 30.278 30.278 30.201 0.077 19732 466 1 . 1 1 83 83 GLU H H 83 9.049 9.049 8.647 0.402 19732 467 1 . 1 1 84 84 LEU N N 84 116.042 116.042 118.152 -2.110 19732 468 1 . 1 1 84 84 LEU HA H 84 4.237 4.237 4.030 0.207 19732 469 1 . 1 1 84 84 LEU C C 84 175.868 175.868 177.001 -1.133 19732 470 1 . 1 1 84 84 LEU CA C 84 53.657 53.657 55.195 -1.538 19732 471 1 . 1 1 84 84 LEU CB C 84 40.104 40.104 41.689 -1.585 19732 472 1 . 1 1 84 84 LEU H H 84 7.713 7.713 7.434 0.279 19732 473 1 . 1 1 85 85 ASP N N 85 116.940 116.940 117.087 -0.147 19732 474 1 . 1 1 85 85 ASP HA H 85 4.250 4.250 4.333 -0.083 19732 475 1 . 1 1 85 85 ASP C C 85 174.424 174.424 175.258 -0.834 19732 476 1 . 1 1 85 85 ASP CA C 85 54.685 54.685 55.216 -0.531 19732 477 1 . 1 1 85 85 ASP CB C 85 38.821 38.821 41.021 -2.200 19732 478 1 . 1 1 85 85 ASP H H 85 7.164 7.164 7.693 -0.529 19732 479 1 . 1 1 87 87 PRO HA H 87 4.406 4.406 4.495 -0.089 19732 480 1 . 1 1 87 87 PRO C C 87 177.572 177.572 176.670 0.902 19732 481 1 . 1 1 87 87 PRO CA C 87 63.159 63.159 63.096 0.063 19732 482 1 . 1 1 87 87 PRO CB C 87 32.260 32.260 31.385 0.875 19732 483 1 . 1 1 88 88 LEU N N 88 122.410 122.410 123.387 -0.977 19732 484 1 . 1 1 88 88 LEU HA H 88 3.931 3.931 4.201 -0.271 19732 485 1 . 1 1 88 88 LEU C C 88 179.214 179.214 177.714 1.500 19732 486 1 . 1 1 88 88 LEU CA C 88 57.281 57.281 55.716 1.565 19732 487 1 . 1 1 88 88 LEU CB C 88 41.080 41.080 41.931 -0.851 19732 488 1 . 1 1 88 88 LEU H H 88 8.271 8.271 8.283 -0.012 19732 489 1 . 1 1 91 91 GLU N N 91 121.224 121.224 122.117 -0.893 19732 490 1 . 1 1 91 91 GLU HA H 91 3.537 3.537 4.091 -0.554 19732 491 1 . 1 1 91 91 GLU C C 91 176.926 176.926 177.768 -0.842 19732 492 1 . 1 1 91 91 GLU CA C 91 61.079 61.079 59.447 1.632 19732 493 1 . 1 1 91 91 GLU CB C 91 29.485 29.485 29.245 0.240 19732 494 1 . 1 1 91 91 GLU H H 91 7.775 7.775 8.494 -0.719 19732 495 1 . 1 1 92 92 ILE N N 92 115.836 115.836 120.270 -4.434 19732 496 1 . 1 1 92 92 ILE HA H 92 3.910 3.910 4.058 -0.147 19732 497 1 . 1 1 92 92 ILE C C 92 177.704 177.704 175.749 1.955 19732 498 1 . 1 1 92 92 ILE CA C 92 66.030 66.030 64.540 1.490 19732 499 1 . 1 1 92 92 ILE CB C 92 34.451 34.451 34.761 -0.310 19732 500 1 . 1 1 92 92 ILE H H 92 8.259 8.259 8.364 -0.105 19732 501 1 . 1 1 93 93 PRO HA H 93 4.117 4.117 4.319 -0.202 19732 502 1 . 1 1 93 93 PRO C C 93 178.653 178.653 178.420 0.233 19732 503 1 . 1 1 93 93 PRO CA C 93 66.003 66.003 66.061 -0.058 19732 504 1 . 1 1 93 93 PRO CB C 93 31.136 31.136 31.296 -0.160 19732 505 1 . 1 1 94 94 LEU N N 94 114.952 114.952 115.725 -0.773 19732 506 1 . 1 1 94 94 LEU HA H 94 4.126 4.126 4.344 -0.218 19732 507 1 . 1 1 94 94 LEU C C 94 180.119 180.119 179.367 0.752 19732 508 1 . 1 1 94 94 LEU CA C 94 57.785 57.785 57.440 0.345 19732 509 1 . 1 1 94 94 LEU CB C 94 42.760 42.760 41.491 1.269 19732 510 1 . 1 1 94 94 LEU H H 94 7.657 7.657 7.715 -0.058 19732 511 1 . 1 1 95 95 VAL N N 95 119.986 119.986 119.536 0.450 19732 512 1 . 1 1 95 95 VAL HA H 95 4.008 4.008 4.257 -0.249 19732 513 1 . 1 1 95 95 VAL C C 95 177.559 177.559 177.880 -0.321 19732 514 1 . 1 1 95 95 VAL CA C 95 66.666 66.666 66.028 0.638 19732 515 1 . 1 1 95 95 VAL CB C 95 31.714 31.714 31.735 -0.021 19732 516 1 . 1 1 95 95 VAL H H 95 8.873 8.873 8.189 0.684 19732 517 1 . 1 1 96 96 SER N N 96 111.863 111.863 114.617 -2.753 19732 518 1 . 1 1 96 96 SER HA H 96 4.598 4.598 4.309 0.289 19732 519 1 . 1 1 96 96 SER C C 96 175.113 175.113 175.732 -0.619 19732 520 1 . 1 1 96 96 SER CA C 96 59.163 59.163 59.773 -0.610 19732 521 1 . 1 1 96 96 SER CB C 96 63.552 63.552 62.743 0.809 19732 522 1 . 1 1 96 96 SER H H 96 7.823 7.823 8.372 -0.549 19732 523 1 . 1 1 97 97 ILE N N 97 120.300 120.300 121.422 -1.121 19732 524 1 . 1 1 97 97 ILE HA H 97 3.819 3.819 3.934 -0.115 19732 525 1 . 1 1 97 97 ILE C C 97 174.601 174.601 175.897 -1.296 19732 526 1 . 1 1 97 97 ILE CA C 97 63.804 63.804 62.922 0.882 19732 527 1 . 1 1 97 97 ILE CB C 97 39.059 39.059 38.370 0.688 19732 528 1 . 1 1 97 97 ILE H H 97 7.014 7.014 7.403 -0.389 19732 529 1 . 1 1 98 98 TRP N N 98 120.222 120.222 119.132 1.090 19732 530 1 . 1 1 98 98 TRP HA H 98 4.062 4.062 4.112 -0.050 19732 531 1 . 1 1 98 98 TRP C C 98 176.502 176.502 175.193 1.309 19732 532 1 . 1 1 98 98 TRP CA C 98 57.790 57.790 56.757 1.032 19732 533 1 . 1 1 98 98 TRP CB C 98 28.963 28.963 29.141 -0.178 19732 534 1 . 1 1 98 98 TRP H H 98 7.651 7.651 7.346 0.305 19732 535 1 . 1 1 99 99 GLY N N 99 109.003 109.003 109.482 -0.479 19732 536 1 . 1 1 99 99 GLY C C 99 170.846 170.846 172.364 -1.518 19732 537 1 . 1 1 99 99 GLY CA C 99 44.637 44.637 44.281 0.356 19732 538 1 . 1 1 99 99 GLY H H 99 7.240 7.240 7.600 -0.360 19732 539 1 . 1 1 100 100 PRO HA H 100 4.299 4.299 4.456 -0.157 19732 540 1 . 1 1 100 100 PRO C C 100 176.200 176.200 175.951 0.249 19732 541 1 . 1 1 100 100 PRO CA C 100 63.004 63.004 62.666 0.338 19732 542 1 . 1 1 100 100 PRO CB C 100 31.808 31.808 31.257 0.551 19732 stop_ save_