data_18107 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18107 _Entry.PDB_ID 2LM9 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 18107 _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 THR HA H 19 4.222 4.222 3.962 0.260 18107 2 1 1 . 1 1 2 2 THR CA C 19 63.013 63.013 65.212 -2.199 18107 3 1 1 . 1 1 2 2 THR CB C 19 69.504 69.504 69.081 0.423 18107 4 1 1 . 1 1 3 3 ALA N N 20 125.065 125.065 124.057 1.008 18107 5 1 1 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.744 0.406 18107 6 1 1 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.614 0.343 18107 7 1 1 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.953 1.044 18107 8 1 1 . 1 1 3 3 ALA H H 20 8.404 8.404 8.272 0.132 18107 9 1 1 . 1 1 4 4 THR N N 21 109.840 109.840 111.305 -1.465 18107 10 1 1 . 1 1 4 4 THR HA H 21 4.235 4.235 3.936 0.299 18107 11 1 1 . 1 1 4 4 THR CA C 21 64.668 64.668 64.738 -0.070 18107 12 1 1 . 1 1 4 4 THR CB C 21 68.923 68.923 68.096 0.827 18107 13 1 1 . 1 1 4 4 THR H H 21 7.910 7.910 7.863 0.047 18107 14 1 1 . 1 1 5 5 GLN N N 22 122.037 122.037 119.444 2.593 18107 15 1 1 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.904 0.147 18107 16 1 1 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.623 -0.459 18107 17 1 1 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.693 -0.136 18107 18 1 1 . 1 1 5 5 GLN H H 22 7.953 7.953 7.645 0.308 18107 19 1 1 . 1 1 6 6 ARG N N 23 118.944 118.944 119.003 -0.059 18107 20 1 1 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.152 -0.046 18107 21 1 1 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.439 -0.347 18107 22 1 1 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.422 -0.275 18107 23 1 1 . 1 1 6 6 ARG H H 23 7.922 7.922 7.498 0.424 18107 24 1 1 . 1 1 7 7 PHE N N 24 116.543 116.543 115.244 1.299 18107 25 1 1 . 1 1 7 7 PHE H H 24 8.276 8.276 7.364 0.912 18107 26 1 1 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.694 -0.199 18107 27 1 1 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.722 1.298 18107 28 1 1 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.013 -0.961 18107 29 1 1 . 1 1 9 9 GLU N N 26 118.298 118.298 120.321 -2.023 18107 30 1 1 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.100 -0.110 18107 31 1 1 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.764 -0.386 18107 32 1 1 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.116 0.196 18107 33 1 1 . 1 1 9 9 GLU H H 26 8.148 8.148 8.539 -0.391 18107 34 1 1 . 1 1 10 10 ILE N N 27 121.761 121.761 117.546 4.215 18107 35 1 1 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.582 0.382 18107 36 1 1 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.588 -2.125 18107 37 1 1 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.736 -0.486 18107 38 1 1 . 1 1 10 10 ILE H H 27 8.165 8.165 8.175 -0.010 18107 39 1 1 . 1 1 11 11 GLU N N 28 122.042 122.042 120.326 1.716 18107 40 1 1 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.989 -0.152 18107 41 1 1 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.680 0.948 18107 42 1 1 . 1 1 11 11 GLU CB C 28 30.006 30.006 28.980 1.026 18107 43 1 1 . 1 1 11 11 GLU H H 28 8.541 8.541 8.257 0.284 18107 44 1 1 . 1 1 12 12 LYS N N 29 117.967 117.967 119.419 -1.452 18107 45 1 1 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.055 -0.113 18107 46 1 1 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.472 0.269 18107 47 1 1 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.258 0.195 18107 48 1 1 . 1 1 12 12 LYS H H 29 7.517 7.517 7.798 -0.281 18107 49 1 1 . 1 1 13 13 PHE N N 30 122.144 122.144 120.008 2.136 18107 50 1 1 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.296 0.133 18107 51 1 1 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.182 -0.395 18107 52 1 1 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.618 0.593 18107 53 1 1 . 1 1 13 13 PHE H H 30 8.066 8.066 8.031 0.035 18107 54 1 1 . 1 1 14 14 LEU N N 31 119.404 119.404 119.004 0.400 18107 55 1 1 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.955 -0.221 18107 56 1 1 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.003 -0.239 18107 57 1 1 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.362 0.074 18107 58 1 1 . 1 1 14 14 LEU H H 31 8.739 8.739 8.154 0.585 18107 59 1 1 . 1 1 15 15 LEU N N 32 121.073 121.073 117.795 3.278 18107 60 1 1 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.128 -0.168 18107 61 1 1 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.217 0.116 18107 62 1 1 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.387 0.575 18107 63 1 1 . 1 1 15 15 LEU H H 32 7.736 7.736 7.682 0.054 18107 64 1 1 . 1 1 16 16 HIS N N 33 118.629 118.629 118.909 -0.280 18107 65 1 1 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.357 -0.011 18107 66 1 1 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.393 -0.748 18107 67 1 1 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.768 -0.467 18107 68 1 1 . 1 1 16 16 HIS H H 33 7.681 7.681 8.248 -0.567 18107 69 1 1 . 1 1 17 17 ILE N N 34 118.602 118.602 119.938 -1.336 18107 70 1 1 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.744 0.061 18107 71 1 1 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.731 -1.224 18107 72 1 1 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.247 -0.802 18107 73 1 1 . 1 1 17 17 ILE H H 34 8.502 8.502 8.861 -0.359 18107 74 1 1 . 1 1 18 18 THR N N 35 117.776 117.776 116.164 1.612 18107 75 1 1 . 1 1 18 18 THR HA H 35 4.116 4.116 3.941 0.175 18107 76 1 1 . 1 1 18 18 THR CA C 35 68.694 68.694 66.666 2.028 18107 77 1 1 . 1 1 18 18 THR CB C 35 68.694 68.694 68.106 0.588 18107 78 1 1 . 1 1 18 18 THR H H 35 7.726 7.726 7.831 -0.105 18107 79 1 1 . 1 1 19 19 HIS N N 36 118.130 118.130 120.401 -2.271 18107 80 1 1 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.232 0.169 18107 81 1 1 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.944 -1.158 18107 82 1 1 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.659 -0.589 18107 83 1 1 . 1 1 19 19 HIS H H 36 7.177 7.177 7.783 -0.606 18107 84 1 1 . 1 1 20 20 GLU N N 37 119.301 119.301 118.311 0.990 18107 85 1 1 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.085 -0.034 18107 86 1 1 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.333 0.224 18107 87 1 1 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.357 0.699 18107 88 1 1 . 1 1 20 20 GLU H H 37 7.335 7.335 7.777 -0.442 18107 89 1 1 . 1 1 21 21 VAL N N 38 122.744 122.744 120.221 2.523 18107 90 1 1 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.633 -0.211 18107 91 1 1 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.476 0.573 18107 92 1 1 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.406 -0.033 18107 93 1 1 . 1 1 21 21 VAL H H 38 8.385 8.385 7.697 0.688 18107 94 1 1 . 1 1 22 22 ASP N N 39 120.471 120.471 119.907 0.564 18107 95 1 1 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.391 -0.244 18107 96 1 1 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.433 0.293 18107 97 1 1 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.449 -0.062 18107 98 1 1 . 1 1 22 22 ASP H H 39 8.054 8.054 7.780 0.274 18107 99 1 1 . 1 1 23 23 ASP N N 40 118.541 118.541 120.039 -1.498 18107 100 1 1 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.409 0.011 18107 101 1 1 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.477 0.010 18107 102 1 1 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.287 -0.113 18107 103 1 1 . 1 1 23 23 ASP H H 40 7.587 7.587 7.765 -0.178 18107 104 1 1 . 1 1 24 24 LEU N N 41 123.241 123.241 116.835 6.406 18107 105 1 1 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.166 0.002 18107 106 1 1 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.246 -0.539 18107 107 1 1 . 1 1 24 24 LEU CB C 41 41.909 41.909 40.949 0.960 18107 108 1 1 . 1 1 24 24 LEU H H 41 8.032 8.032 8.303 -0.271 18107 109 1 1 . 1 1 25 25 GLU N N 42 117.508 117.508 119.947 -2.439 18107 110 1 1 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.005 -0.085 18107 111 1 1 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.379 -0.297 18107 112 1 1 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.728 0.135 18107 113 1 1 . 1 1 25 25 GLU H H 42 8.010 8.010 8.451 -0.442 18107 114 1 1 . 1 1 26 26 LYS N N 43 117.032 117.032 115.219 1.813 18107 115 1 1 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.347 -0.104 18107 116 1 1 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.716 0.535 18107 117 1 1 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.379 1.128 18107 118 1 1 . 1 1 26 26 LYS H H 43 7.596 7.596 7.684 -0.088 18107 119 1 1 . 1 1 27 27 THR N N 44 110.288 110.288 112.569 -2.281 18107 120 1 1 . 1 1 27 27 THR HA H 44 4.271 4.271 4.418 -0.147 18107 121 1 1 . 1 1 27 27 THR CA C 44 62.820 62.820 63.420 -0.600 18107 122 1 1 . 1 1 27 27 THR CB C 44 70.733 70.733 70.133 0.600 18107 123 1 1 . 1 1 27 27 THR H H 44 8.227 8.227 7.260 0.967 18107 124 1 1 . 1 1 28 28 GLY N N 45 112.257 112.257 108.223 4.034 18107 125 1 1 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.090 0.571 18107 126 1 1 . 1 1 28 28 GLY H H 45 8.727 8.727 8.230 0.497 18107 127 1 1 . 1 1 29 29 ASN N N 46 118.416 118.416 117.531 0.885 18107 128 1 1 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.330 0.139 18107 129 1 1 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.565 0.732 18107 130 1 1 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.676 2.433 18107 131 1 1 . 1 1 29 29 ASN H H 46 7.716 7.716 8.012 -0.296 18107 132 1 1 . 1 1 30 30 LYS N N 47 126.481 126.481 118.159 8.322 18107 133 1 1 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.082 -0.094 18107 134 1 1 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.517 0.674 18107 135 1 1 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.461 0.052 18107 136 1 1 . 1 1 30 30 LYS H H 47 8.770 8.770 8.281 0.489 18107 137 1 1 . 1 1 31 31 ASP N N 48 121.710 121.710 114.382 7.328 18107 138 1 1 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.782 -0.315 18107 139 1 1 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.327 3.308 18107 140 1 1 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.084 -0.640 18107 141 1 1 . 1 1 31 31 ASP H H 48 8.229 8.229 8.000 0.229 18107 142 1 1 . 1 1 32 32 GLU N N 49 121.695 121.695 121.432 0.263 18107 143 1 1 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.191 0.166 18107 144 1 1 . 1 1 32 32 GLU H H 49 8.048 8.048 8.555 -0.507 18107 145 1 1 . 1 1 33 33 LYS N N 50 120.099 120.099 119.553 0.546 18107 146 1 1 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.953 -0.302 18107 147 1 1 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.788 0.049 18107 148 1 1 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.838 1.129 18107 149 1 1 . 1 1 33 33 LYS H H 50 7.975 7.975 8.502 -0.527 18107 150 1 1 . 1 1 34 34 ALA N N 51 118.238 118.238 120.691 -2.453 18107 151 1 1 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.024 -0.035 18107 152 1 1 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.131 0.262 18107 153 1 1 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.286 -0.074 18107 154 1 1 . 1 1 34 34 ALA H H 51 7.614 7.614 8.333 -0.719 18107 155 1 1 . 1 1 35 35 ARG N N 52 120.311 120.311 118.785 1.526 18107 156 1 1 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.065 1.826 18107 157 1 1 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.539 0.511 18107 158 1 1 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.547 -0.136 18107 159 1 1 . 1 1 35 35 ARG H H 52 7.883 7.883 7.640 0.243 18107 160 1 1 . 1 1 36 36 LEU N N 53 119.541 119.541 119.537 0.004 18107 161 1 1 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.176 -0.230 18107 162 1 1 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.267 0.221 18107 163 1 1 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.258 1.184 18107 164 1 1 . 1 1 36 36 LEU H H 53 8.553 8.553 8.619 -0.066 18107 165 1 1 . 1 1 37 37 LEU N N 54 117.789 117.789 120.544 -2.755 18107 166 1 1 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.876 0.189 18107 167 1 1 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.229 0.413 18107 168 1 1 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.360 -0.041 18107 169 1 1 . 1 1 37 37 LEU H H 54 8.341 8.341 8.424 -0.083 18107 170 1 1 . 1 1 38 38 ARG N N 55 121.176 121.176 118.964 2.212 18107 171 1 1 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.061 0.007 18107 172 1 1 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.267 1.058 18107 173 1 1 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.985 0.085 18107 174 1 1 . 1 1 38 38 ARG H H 55 7.864 7.864 7.834 0.030 18107 175 1 1 . 1 1 39 39 GLU N N 56 119.256 119.256 120.477 -1.221 18107 176 1 1 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.131 -0.071 18107 177 1 1 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.424 0.470 18107 178 1 1 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.335 0.566 18107 179 1 1 . 1 1 39 39 GLU H H 56 8.390 8.390 7.740 0.650 18107 180 1 1 . 1 1 40 40 LEU N N 57 120.312 120.312 117.986 2.326 18107 181 1 1 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.231 -0.103 18107 182 1 1 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.433 0.188 18107 183 1 1 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.378 0.851 18107 184 1 1 . 1 1 40 40 LEU H H 57 8.802 8.802 8.236 0.566 18107 185 1 1 . 1 1 41 41 THR N N 58 117.791 117.791 117.521 0.270 18107 186 1 1 . 1 1 41 41 THR HA H 58 4.341 4.341 4.118 0.223 18107 187 1 1 . 1 1 41 41 THR CA C 58 67.542 67.542 66.898 0.644 18107 188 1 1 . 1 1 41 41 THR CB C 58 69.157 69.157 68.794 0.363 18107 189 1 1 . 1 1 41 41 THR H H 58 8.182 8.182 7.843 0.339 18107 190 1 1 . 1 1 42 42 VAL N N 59 123.554 123.554 121.350 2.204 18107 191 1 1 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.496 0.227 18107 192 1 1 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.772 0.083 18107 193 1 1 . 1 1 42 42 VAL H H 59 7.978 7.978 8.242 -0.264 18107 194 1 1 . 1 1 43 43 SER N N 60 116.859 116.859 114.970 1.889 18107 195 1 1 . 1 1 43 43 SER HA H 60 4.155 4.155 1.832 2.323 18107 196 1 1 . 1 1 43 43 SER CA C 60 63.412 63.412 61.060 2.352 18107 197 1 1 . 1 1 43 43 SER H H 60 7.715 7.715 7.603 0.112 18107 198 1 1 . 1 1 44 44 GLU N N 61 124.072 124.072 120.912 3.160 18107 199 1 1 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.842 -0.216 18107 200 1 1 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.961 1.541 18107 201 1 1 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.561 0.233 18107 202 1 1 . 1 1 44 44 GLU H H 61 8.517 8.517 8.107 0.410 18107 203 1 1 . 1 1 45 45 ALA N N 62 120.467 120.467 122.011 -1.544 18107 204 1 1 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.077 0.072 18107 205 1 1 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.019 0.207 18107 206 1 1 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.190 -0.345 18107 207 1 1 . 1 1 45 45 ALA H H 62 7.853 7.853 7.559 0.294 18107 208 1 1 . 1 1 46 46 PHE N N 63 119.936 119.936 116.119 3.817 18107 209 1 1 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.260 0.005 18107 210 1 1 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.455 3.081 18107 211 1 1 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.470 1.722 18107 212 1 1 . 1 1 46 46 PHE H H 63 7.946 7.946 6.962 0.984 18107 213 1 1 . 1 1 47 47 ILE N N 64 122.630 122.630 120.878 1.752 18107 214 1 1 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.570 0.050 18107 215 1 1 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.792 2.566 18107 216 1 1 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.073 1.308 18107 217 1 1 . 1 1 47 47 ILE H H 64 8.595 8.595 7.898 0.697 18107 218 1 1 . 1 1 48 48 GLU N N 65 120.257 120.257 119.727 0.530 18107 219 1 1 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.000 0.589 18107 220 1 1 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.357 -0.001 18107 221 1 1 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.788 0.813 18107 222 1 1 . 1 1 48 48 GLU H H 65 9.078 9.078 8.159 0.919 18107 223 1 1 . 1 1 49 49 GLY N N 66 108.368 108.368 107.705 0.663 18107 224 1 1 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.673 0.480 18107 225 1 1 . 1 1 49 49 GLY H H 66 8.379 8.379 8.216 0.163 18107 226 1 1 . 1 1 50 50 SER N N 67 119.358 119.358 118.614 0.744 18107 227 1 1 . 1 1 50 50 SER HA H 67 3.988 3.988 4.183 -0.195 18107 228 1 1 . 1 1 50 50 SER CA C 67 62.501 62.501 61.757 0.744 18107 229 1 1 . 1 1 50 50 SER CB C 67 63.441 63.441 63.222 0.219 18107 230 1 1 . 1 1 50 50 SER H H 67 7.694 7.694 8.006 -0.312 18107 231 1 1 . 1 1 51 51 ARG N N 68 121.212 121.212 119.739 1.473 18107 232 1 1 . 1 1 51 51 ARG HA H 68 3.908 3.908 3.202 0.706 18107 233 1 1 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.662 2.379 18107 234 1 1 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.275 1.482 18107 235 1 1 . 1 1 51 51 ARG H H 68 8.684 8.684 7.990 0.694 18107 236 1 1 . 1 1 52 52 GLY N N 69 124.556 124.556 106.960 17.596 18107 237 1 1 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.466 0.797 18107 238 1 1 . 1 1 52 52 GLY H H 69 8.068 8.068 8.013 0.055 18107 239 1 1 . 1 1 53 53 TYR N N 70 123.123 123.123 123.553 -0.430 18107 240 1 1 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.156 -0.087 18107 241 1 1 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.033 -0.213 18107 242 1 1 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.553 -0.806 18107 243 1 1 . 1 1 53 53 TYR H H 70 7.337 7.337 7.434 -0.097 18107 244 1 1 . 1 1 54 54 PHE N N 71 117.809 117.809 117.444 0.365 18107 245 1 1 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.243 -0.576 18107 246 1 1 . 1 1 54 54 PHE CA C 71 60.489 60.489 58.530 1.959 18107 247 1 1 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.097 1.652 18107 248 1 1 . 1 1 54 54 PHE H H 71 7.965 7.965 7.365 0.600 18107 249 1 1 . 1 1 55 55 GLN N N 72 115.519 115.519 118.265 -2.746 18107 250 1 1 . 1 1 55 55 GLN HA H 72 3.858 3.858 3.887 -0.029 18107 251 1 1 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.119 0.489 18107 252 1 1 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.498 0.498 18107 253 1 1 . 1 1 55 55 GLN H H 72 8.522 8.522 7.675 0.847 18107 254 1 1 . 1 1 56 56 ARG N N 73 118.947 118.947 118.123 0.824 18107 255 1 1 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.052 -0.180 18107 256 1 1 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.123 1.798 18107 257 1 1 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.262 0.824 18107 258 1 1 . 1 1 56 56 ARG H H 73 7.677 7.677 7.325 0.352 18107 259 1 1 . 1 1 57 57 GLU N N 74 121.204 121.204 121.331 -0.127 18107 260 1 1 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.976 -0.294 18107 261 1 1 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.198 -0.264 18107 262 1 1 . 1 1 57 57 GLU CB C 74 29.693 29.693 29.135 0.558 18107 263 1 1 . 1 1 57 57 GLU H H 74 7.897 7.897 8.187 -0.290 18107 264 1 1 . 1 1 58 58 LEU N N 75 115.348 115.348 119.266 -3.918 18107 265 1 1 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.085 -0.025 18107 266 1 1 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.574 -0.680 18107 267 1 1 . 1 1 58 58 LEU CB C 75 42.330 42.330 41.653 0.677 18107 268 1 1 . 1 1 58 58 LEU H H 75 7.746 7.746 7.610 0.136 18107 269 1 1 . 1 1 59 59 LYS N N 76 117.429 117.429 119.056 -1.627 18107 270 1 1 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.109 0.091 18107 271 1 1 . 1 1 59 59 LYS CA C 76 56.608 56.608 58.135 -1.527 18107 272 1 1 . 1 1 59 59 LYS CB C 76 32.883 32.883 31.864 1.019 18107 273 1 1 . 1 1 59 59 LYS H H 76 7.233 7.233 8.134 -0.901 18107 274 1 1 . 1 1 60 60 ARG N N 77 120.555 120.555 119.584 0.971 18107 275 1 1 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.127 -0.001 18107 276 1 1 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.440 -0.741 18107 277 1 1 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.369 1.429 18107 278 1 1 . 1 1 60 60 ARG H H 77 7.701 7.701 8.442 -0.741 18107 279 1 1 . 1 1 61 61 THR N N 78 111.768 111.768 108.984 2.784 18107 280 1 1 . 1 1 61 61 THR HA H 78 4.414 4.414 3.953 0.461 18107 281 1 1 . 1 1 61 61 THR CA C 78 62.557 62.557 65.145 -2.588 18107 282 1 1 . 1 1 61 61 THR CB C 78 69.221 69.221 67.310 1.911 18107 283 1 1 . 1 1 61 61 THR H H 78 8.638 8.638 7.884 0.754 18107 284 1 1 . 1 1 62 62 ASP N N 79 120.616 120.616 122.381 -1.765 18107 285 1 1 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.771 -0.139 18107 286 1 1 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.889 -1.927 18107 287 1 1 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.620 -1.374 18107 288 1 1 . 1 1 62 62 ASP H H 79 8.465 8.465 8.289 0.176 18107 289 1 1 . 1 1 63 63 LEU N N 80 120.063 120.063 119.388 0.675 18107 290 1 1 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.204 0.041 18107 291 1 1 . 1 1 63 63 LEU CA C 80 55.212 55.212 55.479 -0.267 18107 292 1 1 . 1 1 63 63 LEU CB C 80 43.795 43.795 42.445 1.350 18107 293 1 1 . 1 1 63 63 LEU H H 80 7.157 7.157 8.216 -1.059 18107 294 1 1 . 1 1 64 64 ASP N N 81 125.396 125.396 121.248 4.148 18107 295 1 1 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.918 -0.349 18107 296 1 1 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.279 0.698 18107 297 1 1 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.898 -0.098 18107 298 1 1 . 1 1 64 64 ASP H H 81 8.926 8.926 8.092 0.834 18107 299 1 1 . 1 1 65 65 LEU N N 82 122.508 122.508 122.078 0.430 18107 300 1 1 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.113 -0.275 18107 301 1 1 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.047 0.774 18107 302 1 1 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.898 0.297 18107 303 1 1 . 1 1 65 65 LEU H H 82 8.281 8.281 8.611 -0.330 18107 304 1 1 . 1 1 66 66 LEU N N 83 119.413 119.413 118.902 0.511 18107 305 1 1 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.929 0.143 18107 306 1 1 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.148 -0.120 18107 307 1 1 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.847 0.504 18107 308 1 1 . 1 1 66 66 LEU H H 83 8.149 8.149 7.892 0.257 18107 309 1 1 . 1 1 67 67 GLU N N 84 119.941 119.941 118.498 1.443 18107 310 1 1 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.592 0.254 18107 311 1 1 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.657 -1.134 18107 312 1 1 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.284 0.928 18107 313 1 1 . 1 1 67 67 GLU H H 84 7.725 7.725 7.573 0.152 18107 314 1 1 . 1 1 68 68 LYS N N 85 119.400 119.400 119.391 0.009 18107 315 1 1 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.938 -0.137 18107 316 1 1 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.203 1.617 18107 317 1 1 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.416 0.499 18107 318 1 1 . 1 1 68 68 LYS H H 85 8.117 8.117 7.771 0.346 18107 319 1 1 . 1 1 69 69 PHE N N 86 117.969 117.969 119.876 -1.907 18107 320 1 1 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.105 0.184 18107 321 1 1 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.629 -0.760 18107 322 1 1 . 1 1 69 69 PHE CB C 86 38.755 38.755 39.100 -0.345 18107 323 1 1 . 1 1 69 69 PHE H H 86 7.975 7.975 8.406 -0.431 18107 324 1 1 . 1 1 70 70 ASN N N 87 118.904 118.904 118.353 0.551 18107 325 1 1 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.301 0.060 18107 326 1 1 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.627 -0.359 18107 327 1 1 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.632 -0.534 18107 328 1 1 . 1 1 70 70 ASN H H 87 8.259 8.259 7.700 0.559 18107 329 1 1 . 1 1 71 71 PHE N N 88 121.068 121.068 118.343 2.725 18107 330 1 1 . 1 1 71 71 PHE HA H 88 4.266 4.266 4.031 0.235 18107 331 1 1 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.707 1.080 18107 332 1 1 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.750 0.280 18107 333 1 1 . 1 1 71 71 PHE H H 88 8.618 8.618 7.427 1.191 18107 334 1 1 . 1 1 72 72 GLU N N 89 120.500 120.500 120.464 0.036 18107 335 1 1 . 1 1 72 72 GLU HA H 89 3.853 3.853 4.044 -0.191 18107 336 1 1 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.305 1.192 18107 337 1 1 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.331 0.180 18107 338 1 1 . 1 1 72 72 GLU H H 89 8.709 8.709 8.627 0.082 18107 339 1 1 . 1 1 73 73 ALA N N 90 123.117 123.117 121.781 1.336 18107 340 1 1 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.098 -0.060 18107 341 1 1 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.791 0.210 18107 342 1 1 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.224 -0.277 18107 343 1 1 . 1 1 73 73 ALA H H 90 8.158 8.158 8.047 0.111 18107 344 1 1 . 1 1 74 74 ALA N N 91 122.919 122.919 121.181 1.738 18107 345 1 1 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.095 -0.144 18107 346 1 1 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.481 0.798 18107 347 1 1 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.059 -0.393 18107 348 1 1 . 1 1 74 74 ALA H H 91 7.841 7.841 8.175 -0.334 18107 349 1 1 . 1 1 75 75 LEU N N 92 119.956 119.956 119.806 0.150 18107 350 1 1 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.180 -0.133 18107 351 1 1 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.307 0.152 18107 352 1 1 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.933 0.226 18107 353 1 1 . 1 1 75 75 LEU H H 92 8.091 8.091 8.707 -0.616 18107 354 1 1 . 1 1 76 76 ALA N N 93 120.763 120.763 120.866 -0.103 18107 355 1 1 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.135 -0.005 18107 356 1 1 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.276 0.128 18107 357 1 1 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.167 -0.297 18107 358 1 1 . 1 1 76 76 ALA H H 93 7.774 7.774 7.933 -0.159 18107 359 1 1 . 1 1 77 77 THR N N 94 117.510 117.510 115.974 1.536 18107 360 1 1 . 1 1 77 77 THR HA H 94 4.234 4.234 4.080 0.154 18107 361 1 1 . 1 1 77 77 THR CA C 94 67.364 67.364 67.264 0.100 18107 362 1 1 . 1 1 77 77 THR CB C 94 68.779 68.779 69.000 -0.221 18107 363 1 1 . 1 1 77 77 THR H H 94 8.188 8.188 7.817 0.371 18107 364 1 1 . 1 1 78 78 GLY N N 95 110.009 110.009 109.615 0.394 18107 365 1 1 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.815 1.335 18107 366 1 1 . 1 1 78 78 GLY H H 95 8.547 8.547 8.988 -0.441 18107 367 1 1 . 1 1 79 79 ASP N N 96 121.634 121.634 122.671 -1.037 18107 368 1 1 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.445 -0.177 18107 369 1 1 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.800 1.136 18107 370 1 1 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.712 -0.072 18107 371 1 1 . 1 1 79 79 ASP H H 96 8.548 8.548 8.413 0.135 18107 372 1 1 . 1 1 80 80 LEU N N 97 122.599 122.599 119.482 3.117 18107 373 1 1 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.066 -0.058 18107 374 1 1 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.641 0.801 18107 375 1 1 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.246 -0.317 18107 376 1 1 . 1 1 80 80 LEU H H 97 7.618 7.618 7.706 -0.088 18107 377 1 1 . 1 1 81 81 LEU N N 98 119.913 119.913 117.737 2.176 18107 378 1 1 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.238 -0.207 18107 379 1 1 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.897 -0.089 18107 380 1 1 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.368 0.993 18107 381 1 1 . 1 1 81 81 LEU H H 98 8.224 8.224 7.764 0.460 18107 382 1 1 . 1 1 82 82 LEU N N 99 118.616 118.616 120.915 -2.299 18107 383 1 1 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.862 0.113 18107 384 1 1 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.902 0.167 18107 385 1 1 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.633 0.532 18107 386 1 1 . 1 1 82 82 LEU H H 99 8.359 8.359 8.624 -0.265 18107 387 1 1 . 1 1 83 83 LYS N N 100 118.988 118.988 119.383 -0.395 18107 388 1 1 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.964 -0.080 18107 389 1 1 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.771 0.496 18107 390 1 1 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.061 0.110 18107 391 1 1 . 1 1 83 83 LYS H H 100 7.566 7.566 7.819 -0.253 18107 392 1 1 . 1 1 84 84 ASP N N 101 121.591 121.591 120.911 0.680 18107 393 1 1 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.451 -0.054 18107 394 1 1 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.524 0.172 18107 395 1 1 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.024 -0.619 18107 396 1 1 . 1 1 84 84 ASP H H 101 7.743 7.743 7.756 -0.013 18107 397 1 1 . 1 1 85 85 LEU N N 102 123.215 123.215 120.744 2.471 18107 398 1 1 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.902 -0.052 18107 399 1 1 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.462 1.379 18107 400 1 1 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.855 0.717 18107 401 1 1 . 1 1 85 85 LEU H H 102 8.760 8.760 8.380 0.381 18107 402 1 1 . 1 1 86 86 LYS N N 103 119.648 119.648 119.263 0.385 18107 403 1 1 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.994 0.074 18107 404 1 1 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.122 -0.330 18107 405 1 1 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.215 -1.083 18107 406 1 1 . 1 1 86 86 LYS H H 103 8.883 8.883 7.820 1.063 18107 407 1 1 . 1 1 87 87 ALA N N 104 122.844 122.844 121.635 1.209 18107 408 1 1 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.145 0.015 18107 409 1 1 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.808 0.492 18107 410 1 1 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.197 -0.177 18107 411 1 1 . 1 1 87 87 ALA H H 104 7.721 7.721 7.634 0.087 18107 412 1 1 . 1 1 88 88 LEU N N 105 120.380 120.380 118.625 1.755 18107 413 1 1 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.049 -0.057 18107 414 1 1 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.076 0.110 18107 415 1 1 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.220 1.584 18107 416 1 1 . 1 1 88 88 LEU H H 105 7.762 7.762 8.139 -0.377 18107 417 1 1 . 1 1 89 89 GLN N N 106 118.781 118.781 119.585 -0.804 18107 418 1 1 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.902 -0.317 18107 419 1 1 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.622 0.355 18107 420 1 1 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.520 1.107 18107 421 1 1 . 1 1 89 89 GLN H H 106 8.658 8.658 8.084 0.574 18107 422 1 1 . 1 1 90 90 LYS N N 107 118.977 118.977 119.833 -0.856 18107 423 1 1 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.039 -0.091 18107 424 1 1 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.434 0.061 18107 425 1 1 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.101 0.322 18107 426 1 1 . 1 1 90 90 LYS H H 107 7.786 7.786 7.693 0.093 18107 427 1 1 . 1 1 91 91 ARG N N 108 117.470 117.470 120.204 -2.734 18107 428 1 1 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.052 -0.049 18107 429 1 1 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.442 0.140 18107 430 1 1 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.307 1.321 18107 431 1 1 . 1 1 91 91 ARG H H 108 7.469 7.469 7.666 -0.197 18107 432 1 1 . 1 1 92 92 VAL N N 109 117.865 117.865 119.325 -1.460 18107 433 1 1 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.682 -0.200 18107 434 1 1 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.021 0.590 18107 435 1 1 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.775 0.436 18107 436 1 1 . 1 1 92 92 VAL H H 109 8.084 8.084 8.538 -0.454 18107 437 1 1 . 1 1 93 93 GLN N N 110 119.617 119.617 118.313 1.304 18107 438 1 1 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.078 -0.202 18107 439 1 1 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.417 0.817 18107 440 1 1 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.286 0.738 18107 441 1 1 . 1 1 93 93 GLN H H 110 8.512 8.512 8.404 0.108 18107 442 1 1 . 1 1 94 94 ASP N N 111 117.490 117.490 119.744 -2.254 18107 443 1 1 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.539 -0.048 18107 444 1 1 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.309 -1.028 18107 445 1 1 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.951 -0.116 18107 446 1 1 . 1 1 94 94 ASP H H 111 8.194 8.194 8.296 -0.102 18107 447 1 1 . 1 1 95 95 SER N N 112 116.625 116.625 114.288 2.337 18107 448 1 1 . 1 1 95 95 SER HA H 112 4.288 4.288 4.156 0.132 18107 449 1 1 . 1 1 95 95 SER CA C 112 59.770 59.770 60.819 -1.049 18107 450 1 1 . 1 1 95 95 SER CB C 112 63.990 63.990 63.469 0.521 18107 451 1 1 . 1 1 95 95 SER H H 112 7.479 7.479 7.746 -0.267 18107 452 1 2 . 1 1 2 2 THR HA H 19 4.222 4.222 4.100 0.122 18107 453 1 2 . 1 1 2 2 THR CA C 19 63.013 63.013 64.943 -1.930 18107 454 1 2 . 1 1 2 2 THR CB C 19 69.504 69.504 68.354 1.150 18107 455 1 2 . 1 1 3 3 ALA N N 20 125.065 125.065 124.425 0.640 18107 456 1 2 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.951 0.199 18107 457 1 2 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.104 -0.148 18107 458 1 2 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.073 0.924 18107 459 1 2 . 1 1 3 3 ALA H H 20 8.404 8.404 8.401 0.003 18107 460 1 2 . 1 1 4 4 THR N N 21 109.840 109.840 112.663 -2.823 18107 461 1 2 . 1 1 4 4 THR HA H 21 4.235 4.235 4.002 0.233 18107 462 1 2 . 1 1 4 4 THR CA C 21 64.668 64.668 65.290 -0.622 18107 463 1 2 . 1 1 4 4 THR CB C 21 68.923 68.923 67.176 1.747 18107 464 1 2 . 1 1 4 4 THR H H 21 7.910 7.910 8.301 -0.391 18107 465 1 2 . 1 1 5 5 GLN N N 22 122.037 122.037 120.157 1.880 18107 466 1 2 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.097 -0.046 18107 467 1 2 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.424 -0.260 18107 468 1 2 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.743 -0.186 18107 469 1 2 . 1 1 5 5 GLN H H 22 7.953 7.953 7.686 0.267 18107 470 1 2 . 1 1 6 6 ARG N N 23 118.944 118.944 119.358 -0.414 18107 471 1 2 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.088 0.018 18107 472 1 2 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.556 -0.465 18107 473 1 2 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.280 -0.133 18107 474 1 2 . 1 1 6 6 ARG H H 23 7.922 7.922 7.389 0.533 18107 475 1 2 . 1 1 7 7 PHE N N 24 116.543 116.543 115.222 1.321 18107 476 1 2 . 1 1 7 7 PHE H H 24 8.276 8.276 7.681 0.595 18107 477 1 2 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.629 -0.134 18107 478 1 2 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.082 1.938 18107 479 1 2 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.611 -0.559 18107 480 1 2 . 1 1 9 9 GLU N N 26 118.298 118.298 118.718 -0.420 18107 481 1 2 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.045 -0.055 18107 482 1 2 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.110 -0.732 18107 483 1 2 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.287 0.025 18107 484 1 2 . 1 1 9 9 GLU H H 26 8.148 8.148 8.650 -0.502 18107 485 1 2 . 1 1 10 10 ILE N N 27 121.761 121.761 117.697 4.064 18107 486 1 2 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.812 0.152 18107 487 1 2 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.019 -0.556 18107 488 1 2 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.740 0.510 18107 489 1 2 . 1 1 10 10 ILE H H 27 8.165 8.165 8.208 -0.043 18107 490 1 2 . 1 1 11 11 GLU N N 28 122.042 122.042 120.748 1.294 18107 491 1 2 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.063 -0.226 18107 492 1 2 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.230 0.398 18107 493 1 2 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.548 0.458 18107 494 1 2 . 1 1 11 11 GLU H H 28 8.541 8.541 8.475 0.066 18107 495 1 2 . 1 1 12 12 LYS N N 29 117.967 117.967 118.715 -0.748 18107 496 1 2 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.072 -0.130 18107 497 1 2 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.279 0.462 18107 498 1 2 . 1 1 12 12 LYS CB C 29 32.452 32.452 31.894 0.558 18107 499 1 2 . 1 1 12 12 LYS H H 29 7.517 7.517 8.147 -0.630 18107 500 1 2 . 1 1 13 13 PHE N N 30 122.144 122.144 120.403 1.741 18107 501 1 2 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.346 0.083 18107 502 1 2 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.266 -0.479 18107 503 1 2 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.766 0.445 18107 504 1 2 . 1 1 13 13 PHE H H 30 8.066 8.066 7.978 0.088 18107 505 1 2 . 1 1 14 14 LEU N N 31 119.404 119.404 119.754 -0.350 18107 506 1 2 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.928 -0.194 18107 507 1 2 . 1 1 14 14 LEU CA C 31 57.764 57.764 59.006 -1.242 18107 508 1 2 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.596 -0.160 18107 509 1 2 . 1 1 14 14 LEU H H 31 8.739 8.739 8.096 0.643 18107 510 1 2 . 1 1 15 15 LEU N N 32 121.073 121.073 118.075 2.998 18107 511 1 2 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.010 -0.050 18107 512 1 2 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.782 0.550 18107 513 1 2 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.870 1.092 18107 514 1 2 . 1 1 15 15 LEU H H 32 7.736 7.736 7.591 0.145 18107 515 1 2 . 1 1 16 16 HIS N N 33 118.629 118.629 118.491 0.138 18107 516 1 2 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.362 -0.016 18107 517 1 2 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.484 1.161 18107 518 1 2 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.879 0.422 18107 519 1 2 . 1 1 16 16 HIS H H 33 7.681 7.681 8.058 -0.377 18107 520 1 2 . 1 1 17 17 ILE N N 34 118.602 118.602 119.580 -0.978 18107 521 1 2 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.555 0.250 18107 522 1 2 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.058 -1.551 18107 523 1 2 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.042 -0.597 18107 524 1 2 . 1 1 17 17 ILE H H 34 8.502 8.502 8.697 -0.195 18107 525 1 2 . 1 1 18 18 THR N N 35 117.776 117.776 116.314 1.462 18107 526 1 2 . 1 1 18 18 THR HA H 35 4.116 4.116 3.905 0.211 18107 527 1 2 . 1 1 18 18 THR CA C 35 68.694 68.694 67.505 1.189 18107 528 1 2 . 1 1 18 18 THR CB C 35 68.694 68.694 68.709 -0.015 18107 529 1 2 . 1 1 18 18 THR H H 35 7.726 7.726 7.851 -0.125 18107 530 1 2 . 1 1 19 19 HIS N N 36 118.130 118.130 120.043 -1.913 18107 531 1 2 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.342 0.059 18107 532 1 2 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.658 0.128 18107 533 1 2 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.476 -0.406 18107 534 1 2 . 1 1 19 19 HIS H H 36 7.177 7.177 8.000 -0.823 18107 535 1 2 . 1 1 20 20 GLU N N 37 119.301 119.301 119.381 -0.080 18107 536 1 2 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.131 -0.081 18107 537 1 2 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.264 0.293 18107 538 1 2 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.456 0.600 18107 539 1 2 . 1 1 20 20 GLU H H 37 7.335 7.335 7.943 -0.608 18107 540 1 2 . 1 1 21 21 VAL N N 38 122.744 122.744 119.809 2.935 18107 541 1 2 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.604 -0.182 18107 542 1 2 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.347 0.702 18107 543 1 2 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.449 -0.076 18107 544 1 2 . 1 1 21 21 VAL H H 38 8.385 8.385 7.824 0.561 18107 545 1 2 . 1 1 22 22 ASP N N 39 120.471 120.471 120.429 0.042 18107 546 1 2 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.621 -0.474 18107 547 1 2 . 1 1 22 22 ASP CA C 39 57.726 57.726 56.973 0.753 18107 548 1 2 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.428 -0.041 18107 549 1 2 . 1 1 22 22 ASP H H 39 8.054 8.054 7.824 0.230 18107 550 1 2 . 1 1 23 23 ASP N N 40 118.541 118.541 120.258 -1.717 18107 551 1 2 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.366 0.054 18107 552 1 2 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.455 0.032 18107 553 1 2 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.996 0.178 18107 554 1 2 . 1 1 23 23 ASP H H 40 7.587 7.587 7.782 -0.195 18107 555 1 2 . 1 1 24 24 LEU N N 41 123.241 123.241 116.858 6.383 18107 556 1 2 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.222 -0.054 18107 557 1 2 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.952 -0.245 18107 558 1 2 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.279 0.630 18107 559 1 2 . 1 1 24 24 LEU H H 41 8.032 8.032 8.295 -0.263 18107 560 1 2 . 1 1 25 25 GLU N N 42 117.508 117.508 119.693 -2.185 18107 561 1 2 . 1 1 25 25 GLU HA H 42 3.920 3.920 3.999 -0.079 18107 562 1 2 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.357 -0.275 18107 563 1 2 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.731 0.132 18107 564 1 2 . 1 1 25 25 GLU H H 42 8.010 8.010 8.353 -0.343 18107 565 1 2 . 1 1 26 26 LYS N N 43 117.032 117.032 115.580 1.452 18107 566 1 2 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.323 -0.080 18107 567 1 2 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.726 0.525 18107 568 1 2 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.424 1.083 18107 569 1 2 . 1 1 26 26 LYS H H 43 7.596 7.596 7.720 -0.124 18107 570 1 2 . 1 1 27 27 THR N N 44 110.288 110.288 111.945 -1.657 18107 571 1 2 . 1 1 27 27 THR HA H 44 4.271 4.271 4.413 -0.142 18107 572 1 2 . 1 1 27 27 THR CA C 44 62.820 62.820 63.254 -0.434 18107 573 1 2 . 1 1 27 27 THR CB C 44 70.733 70.733 70.001 0.732 18107 574 1 2 . 1 1 27 27 THR H H 44 8.227 8.227 7.294 0.933 18107 575 1 2 . 1 1 28 28 GLY N N 45 112.257 112.257 107.490 4.767 18107 576 1 2 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.993 0.668 18107 577 1 2 . 1 1 28 28 GLY H H 45 8.727 8.727 8.278 0.449 18107 578 1 2 . 1 1 29 29 ASN N N 46 118.416 118.416 118.277 0.139 18107 579 1 2 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.359 0.110 18107 580 1 2 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.790 0.507 18107 581 1 2 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.334 2.776 18107 582 1 2 . 1 1 29 29 ASN H H 46 7.716 7.716 8.230 -0.514 18107 583 1 2 . 1 1 30 30 LYS N N 47 126.481 126.481 116.323 10.158 18107 584 1 2 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.135 -0.147 18107 585 1 2 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.516 0.675 18107 586 1 2 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.381 0.132 18107 587 1 2 . 1 1 30 30 LYS H H 47 8.770 8.770 8.202 0.568 18107 588 1 2 . 1 1 31 31 ASP N N 48 121.710 121.710 116.384 5.326 18107 589 1 2 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.890 -0.423 18107 590 1 2 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.117 3.518 18107 591 1 2 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.370 -0.926 18107 592 1 2 . 1 1 31 31 ASP H H 48 8.229 8.229 8.084 0.145 18107 593 1 2 . 1 1 32 32 GLU N N 49 121.695 121.695 121.794 -0.099 18107 594 1 2 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.160 0.197 18107 595 1 2 . 1 1 32 32 GLU H H 49 8.048 8.048 8.573 -0.525 18107 596 1 2 . 1 1 33 33 LYS N N 50 120.099 120.099 118.980 1.119 18107 597 1 2 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.925 -0.274 18107 598 1 2 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.756 0.081 18107 599 1 2 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.961 1.006 18107 600 1 2 . 1 1 33 33 LYS H H 50 7.975 7.975 8.511 -0.536 18107 601 1 2 . 1 1 34 34 ALA N N 51 118.238 118.238 119.727 -1.489 18107 602 1 2 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.019 -0.030 18107 603 1 2 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.972 0.421 18107 604 1 2 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.401 -0.189 18107 605 1 2 . 1 1 34 34 ALA H H 51 7.614 7.614 8.375 -0.761 18107 606 1 2 . 1 1 35 35 ARG N N 52 120.311 120.311 119.954 0.357 18107 607 1 2 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.118 1.773 18107 608 1 2 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.238 0.812 18107 609 1 2 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.398 0.013 18107 610 1 2 . 1 1 35 35 ARG H H 52 7.883 7.883 7.750 0.133 18107 611 1 2 . 1 1 36 36 LEU N N 53 119.541 119.541 119.217 0.324 18107 612 1 2 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.147 -0.201 18107 613 1 2 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.310 0.179 18107 614 1 2 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.358 1.084 18107 615 1 2 . 1 1 36 36 LEU H H 53 8.553 8.553 8.597 -0.044 18107 616 1 2 . 1 1 37 37 LEU N N 54 117.789 117.789 120.192 -2.403 18107 617 1 2 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.894 0.171 18107 618 1 2 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.934 0.708 18107 619 1 2 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.365 -0.046 18107 620 1 2 . 1 1 37 37 LEU H H 54 8.341 8.341 8.362 -0.021 18107 621 1 2 . 1 1 38 38 ARG N N 55 121.176 121.176 117.748 3.428 18107 622 1 2 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.136 -0.068 18107 623 1 2 . 1 1 38 38 ARG CA C 55 60.325 60.325 57.333 2.992 18107 624 1 2 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.021 1.049 18107 625 1 2 . 1 1 38 38 ARG H H 55 7.864 7.864 7.788 0.076 18107 626 1 2 . 1 1 39 39 GLU N N 56 119.256 119.256 120.572 -1.316 18107 627 1 2 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.168 -0.108 18107 628 1 2 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.396 0.498 18107 629 1 2 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.251 0.650 18107 630 1 2 . 1 1 39 39 GLU H H 56 8.390 8.390 7.674 0.716 18107 631 1 2 . 1 1 40 40 LEU N N 57 120.312 120.312 118.060 2.252 18107 632 1 2 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.408 -0.280 18107 633 1 2 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.770 0.850 18107 634 1 2 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.424 0.805 18107 635 1 2 . 1 1 40 40 LEU H H 57 8.802 8.802 8.126 0.676 18107 636 1 2 . 1 1 41 41 THR N N 58 117.791 117.791 117.431 0.360 18107 637 1 2 . 1 1 41 41 THR HA H 58 4.341 4.341 3.844 0.497 18107 638 1 2 . 1 1 41 41 THR CA C 58 67.542 67.542 67.352 0.190 18107 639 1 2 . 1 1 41 41 THR CB C 58 69.157 69.157 68.785 0.372 18107 640 1 2 . 1 1 41 41 THR H H 58 8.182 8.182 7.918 0.264 18107 641 1 2 . 1 1 42 42 VAL N N 59 123.554 123.554 120.759 2.795 18107 642 1 2 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.622 0.101 18107 643 1 2 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.448 1.407 18107 644 1 2 . 1 1 42 42 VAL H H 59 7.978 7.978 8.380 -0.402 18107 645 1 2 . 1 1 43 43 SER N N 60 116.859 116.859 114.166 2.693 18107 646 1 2 . 1 1 43 43 SER HA H 60 4.155 4.155 1.969 2.186 18107 647 1 2 . 1 1 43 43 SER CA C 60 63.412 63.412 61.026 2.385 18107 648 1 2 . 1 1 43 43 SER H H 60 7.715 7.715 7.679 0.036 18107 649 1 2 . 1 1 44 44 GLU N N 61 124.072 124.072 121.310 2.762 18107 650 1 2 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.725 -0.099 18107 651 1 2 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.999 1.502 18107 652 1 2 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.458 0.336 18107 653 1 2 . 1 1 44 44 GLU H H 61 8.517 8.517 8.145 0.372 18107 654 1 2 . 1 1 45 45 ALA N N 62 120.467 120.467 122.080 -1.613 18107 655 1 2 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.081 0.068 18107 656 1 2 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.005 0.221 18107 657 1 2 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.212 -0.367 18107 658 1 2 . 1 1 45 45 ALA H H 62 7.853 7.853 7.536 0.317 18107 659 1 2 . 1 1 46 46 PHE N N 63 119.936 119.936 117.007 2.929 18107 660 1 2 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.256 0.009 18107 661 1 2 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.719 2.817 18107 662 1 2 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.617 1.575 18107 663 1 2 . 1 1 46 46 PHE H H 63 7.946 7.946 7.044 0.902 18107 664 1 2 . 1 1 47 47 ILE N N 64 122.630 122.630 120.499 2.131 18107 665 1 2 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.662 -0.042 18107 666 1 2 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.358 2.000 18107 667 1 2 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.932 1.449 18107 668 1 2 . 1 1 47 47 ILE H H 64 8.595 8.595 8.144 0.451 18107 669 1 2 . 1 1 48 48 GLU N N 65 120.257 120.257 119.009 1.248 18107 670 1 2 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.941 0.648 18107 671 1 2 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.947 -0.591 18107 672 1 2 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.332 0.269 18107 673 1 2 . 1 1 48 48 GLU H H 65 9.078 9.078 8.109 0.969 18107 674 1 2 . 1 1 49 49 GLY N N 66 108.368 108.368 107.452 0.916 18107 675 1 2 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.576 0.577 18107 676 1 2 . 1 1 49 49 GLY H H 66 8.379 8.379 8.222 0.157 18107 677 1 2 . 1 1 50 50 SER N N 67 119.358 119.358 117.776 1.582 18107 678 1 2 . 1 1 50 50 SER HA H 67 3.988 3.988 4.045 -0.057 18107 679 1 2 . 1 1 50 50 SER CA C 67 62.501 62.501 61.199 1.302 18107 680 1 2 . 1 1 50 50 SER CB C 67 63.441 63.441 63.129 0.312 18107 681 1 2 . 1 1 50 50 SER H H 67 7.694 7.694 8.133 -0.439 18107 682 1 2 . 1 1 51 51 ARG N N 68 121.212 121.212 119.473 1.739 18107 683 1 2 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.241 -0.333 18107 684 1 2 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.783 2.258 18107 685 1 2 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.650 1.107 18107 686 1 2 . 1 1 51 51 ARG H H 68 8.684 8.684 8.069 0.615 18107 687 1 2 . 1 1 52 52 GLY N N 69 124.556 124.556 107.149 17.407 18107 688 1 2 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.659 0.604 18107 689 1 2 . 1 1 52 52 GLY H H 69 8.068 8.068 8.320 -0.252 18107 690 1 2 . 1 1 53 53 TYR N N 70 123.123 123.123 123.444 -0.321 18107 691 1 2 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.136 -0.067 18107 692 1 2 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.301 -0.481 18107 693 1 2 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.478 -0.731 18107 694 1 2 . 1 1 53 53 TYR H H 70 7.337 7.337 7.534 -0.197 18107 695 1 2 . 1 1 54 54 PHE N N 71 117.809 117.809 118.169 -0.360 18107 696 1 2 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.966 -0.299 18107 697 1 2 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.620 -0.131 18107 698 1 2 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.996 0.753 18107 699 1 2 . 1 1 54 54 PHE H H 71 7.965 7.965 7.577 0.388 18107 700 1 2 . 1 1 55 55 GLN N N 72 115.519 115.519 118.011 -2.492 18107 701 1 2 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.082 -0.224 18107 702 1 2 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.026 0.582 18107 703 1 2 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.234 0.762 18107 704 1 2 . 1 1 55 55 GLN H H 72 8.522 8.522 7.997 0.525 18107 705 1 2 . 1 1 56 56 ARG N N 73 118.947 118.947 119.500 -0.553 18107 706 1 2 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.040 -0.168 18107 707 1 2 . 1 1 56 56 ARG CA C 73 59.921 59.921 59.035 0.886 18107 708 1 2 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.842 0.244 18107 709 1 2 . 1 1 56 56 ARG H H 73 7.677 7.677 7.847 -0.170 18107 710 1 2 . 1 1 57 57 GLU N N 74 121.204 121.204 121.874 -0.670 18107 711 1 2 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.961 -0.279 18107 712 1 2 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.104 -0.170 18107 713 1 2 . 1 1 57 57 GLU CB C 74 29.693 29.693 29.058 0.635 18107 714 1 2 . 1 1 57 57 GLU H H 74 7.897 7.897 8.248 -0.351 18107 715 1 2 . 1 1 58 58 LEU N N 75 115.348 115.348 118.974 -3.626 18107 716 1 2 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.198 -0.138 18107 717 1 2 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.891 -0.997 18107 718 1 2 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.125 0.205 18107 719 1 2 . 1 1 58 58 LEU H H 75 7.746 7.746 7.783 -0.037 18107 720 1 2 . 1 1 59 59 LYS N N 76 117.429 117.429 117.110 0.319 18107 721 1 2 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.327 -0.127 18107 722 1 2 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.991 -0.383 18107 723 1 2 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.217 0.666 18107 724 1 2 . 1 1 59 59 LYS H H 76 7.233 7.233 7.807 -0.574 18107 725 1 2 . 1 1 60 60 ARG N N 77 120.555 120.555 120.497 0.058 18107 726 1 2 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.082 0.044 18107 727 1 2 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.677 -0.978 18107 728 1 2 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.402 1.396 18107 729 1 2 . 1 1 60 60 ARG H H 77 7.701 7.701 8.038 -0.337 18107 730 1 2 . 1 1 61 61 THR N N 78 111.768 111.768 107.583 4.185 18107 731 1 2 . 1 1 61 61 THR HA H 78 4.414 4.414 4.107 0.307 18107 732 1 2 . 1 1 61 61 THR CA C 78 62.557 62.557 64.319 -1.762 18107 733 1 2 . 1 1 61 61 THR CB C 78 69.221 69.221 67.539 1.682 18107 734 1 2 . 1 1 61 61 THR H H 78 8.638 8.638 8.170 0.468 18107 735 1 2 . 1 1 62 62 ASP N N 79 120.616 120.616 120.109 0.507 18107 736 1 2 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.840 -0.208 18107 737 1 2 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.469 -1.507 18107 738 1 2 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.485 -1.239 18107 739 1 2 . 1 1 62 62 ASP H H 79 8.465 8.465 8.566 -0.101 18107 740 1 2 . 1 1 63 63 LEU N N 80 120.063 120.063 116.743 3.320 18107 741 1 2 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.177 -0.932 18107 742 1 2 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.767 1.444 18107 743 1 2 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.875 -2.080 18107 744 1 2 . 1 1 63 63 LEU H H 80 7.157 7.157 7.470 -0.313 18107 745 1 2 . 1 1 64 64 ASP N N 81 125.396 125.396 121.807 3.589 18107 746 1 2 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.904 -0.335 18107 747 1 2 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.898 1.079 18107 748 1 2 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.288 -1.488 18107 749 1 2 . 1 1 64 64 ASP H H 81 8.926 8.926 8.135 0.791 18107 750 1 2 . 1 1 65 65 LEU N N 82 122.508 122.508 121.375 1.133 18107 751 1 2 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.135 -0.297 18107 752 1 2 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.931 0.890 18107 753 1 2 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.011 0.184 18107 754 1 2 . 1 1 65 65 LEU H H 82 8.281 8.281 8.317 -0.036 18107 755 1 2 . 1 1 66 66 LEU N N 83 119.413 119.413 120.125 -0.712 18107 756 1 2 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.095 -0.023 18107 757 1 2 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.374 -0.346 18107 758 1 2 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.265 1.086 18107 759 1 2 . 1 1 66 66 LEU H H 83 8.149 8.149 8.107 0.042 18107 760 1 2 . 1 1 67 67 GLU N N 84 119.941 119.941 118.118 1.823 18107 761 1 2 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.656 0.190 18107 762 1 2 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.331 -0.809 18107 763 1 2 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.146 1.066 18107 764 1 2 . 1 1 67 67 GLU H H 84 7.725 7.725 8.617 -0.892 18107 765 1 2 . 1 1 68 68 LYS N N 85 119.400 119.400 119.793 -0.393 18107 766 1 2 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.796 0.005 18107 767 1 2 . 1 1 68 68 LYS CA C 85 60.820 60.820 58.969 1.851 18107 768 1 2 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.135 0.780 18107 769 1 2 . 1 1 68 68 LYS H H 85 8.117 8.117 7.983 0.134 18107 770 1 2 . 1 1 69 69 PHE N N 86 117.969 117.969 118.892 -0.923 18107 771 1 2 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.091 0.198 18107 772 1 2 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.614 -0.745 18107 773 1 2 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.662 0.093 18107 774 1 2 . 1 1 69 69 PHE H H 86 7.975 7.975 8.097 -0.122 18107 775 1 2 . 1 1 70 70 ASN N N 87 118.904 118.904 118.364 0.540 18107 776 1 2 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.429 -0.068 18107 777 1 2 . 1 1 70 70 ASN CA C 87 56.268 56.268 55.743 0.525 18107 778 1 2 . 1 1 70 70 ASN CB C 87 38.098 38.098 37.934 0.164 18107 779 1 2 . 1 1 70 70 ASN H H 87 8.259 8.259 7.353 0.906 18107 780 1 2 . 1 1 71 71 PHE N N 88 121.068 121.068 118.925 2.143 18107 781 1 2 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.240 1.026 18107 782 1 2 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.160 1.627 18107 783 1 2 . 1 1 71 71 PHE CB C 88 38.030 38.030 36.961 1.069 18107 784 1 2 . 1 1 71 71 PHE H H 88 8.618 8.618 7.466 1.152 18107 785 1 2 . 1 1 72 72 GLU N N 89 120.500 120.500 119.394 1.106 18107 786 1 2 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.978 -0.125 18107 787 1 2 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.504 0.993 18107 788 1 2 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.084 0.427 18107 789 1 2 . 1 1 72 72 GLU H H 89 8.709 8.709 8.689 0.020 18107 790 1 2 . 1 1 73 73 ALA N N 90 123.117 123.117 122.167 0.950 18107 791 1 2 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.203 -0.165 18107 792 1 2 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.930 0.071 18107 793 1 2 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.144 -0.196 18107 794 1 2 . 1 1 73 73 ALA H H 90 8.158 8.158 8.023 0.135 18107 795 1 2 . 1 1 74 74 ALA N N 91 122.919 122.919 121.245 1.674 18107 796 1 2 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.211 -0.260 18107 797 1 2 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.633 0.645 18107 798 1 2 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.429 -0.763 18107 799 1 2 . 1 1 74 74 ALA H H 91 7.841 7.841 8.157 -0.316 18107 800 1 2 . 1 1 75 75 LEU N N 92 119.956 119.956 119.558 0.398 18107 801 1 2 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.189 -0.142 18107 802 1 2 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.039 0.420 18107 803 1 2 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.859 0.300 18107 804 1 2 . 1 1 75 75 LEU H H 92 8.091 8.091 8.454 -0.363 18107 805 1 2 . 1 1 76 76 ALA N N 93 120.763 120.763 120.974 -0.211 18107 806 1 2 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.143 -0.013 18107 807 1 2 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.342 0.062 18107 808 1 2 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.195 -0.325 18107 809 1 2 . 1 1 76 76 ALA H H 93 7.774 7.774 7.998 -0.224 18107 810 1 2 . 1 1 77 77 THR N N 94 117.510 117.510 115.998 1.512 18107 811 1 2 . 1 1 77 77 THR HA H 94 4.234 4.234 4.064 0.170 18107 812 1 2 . 1 1 77 77 THR CA C 94 67.364 67.364 67.900 -0.536 18107 813 1 2 . 1 1 77 77 THR CB C 94 68.779 68.779 68.825 -0.046 18107 814 1 2 . 1 1 77 77 THR H H 94 8.188 8.188 7.856 0.332 18107 815 1 2 . 1 1 78 78 GLY N N 95 110.009 110.009 109.327 0.682 18107 816 1 2 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.633 1.517 18107 817 1 2 . 1 1 78 78 GLY H H 95 8.547 8.547 8.785 -0.238 18107 818 1 2 . 1 1 79 79 ASP N N 96 121.634 121.634 123.193 -1.559 18107 819 1 2 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.396 -0.128 18107 820 1 2 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.689 0.247 18107 821 1 2 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.794 -0.154 18107 822 1 2 . 1 1 79 79 ASP H H 96 8.548 8.548 8.066 0.482 18107 823 1 2 . 1 1 80 80 LEU N N 97 122.599 122.599 119.777 2.822 18107 824 1 2 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.166 -0.158 18107 825 1 2 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.685 -0.243 18107 826 1 2 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.725 0.204 18107 827 1 2 . 1 1 80 80 LEU H H 97 7.618 7.618 7.652 -0.034 18107 828 1 2 . 1 1 81 81 LEU N N 98 119.913 119.913 118.025 1.888 18107 829 1 2 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.175 -0.144 18107 830 1 2 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.933 -0.125 18107 831 1 2 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.254 1.107 18107 832 1 2 . 1 1 81 81 LEU H H 98 8.224 8.224 7.759 0.465 18107 833 1 2 . 1 1 82 82 LEU N N 99 118.616 118.616 120.968 -2.352 18107 834 1 2 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.858 0.117 18107 835 1 2 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.893 0.176 18107 836 1 2 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.804 0.361 18107 837 1 2 . 1 1 82 82 LEU H H 99 8.359 8.359 8.547 -0.188 18107 838 1 2 . 1 1 83 83 LYS N N 100 118.988 118.988 117.670 1.318 18107 839 1 2 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.006 -0.122 18107 840 1 2 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.419 0.848 18107 841 1 2 . 1 1 83 83 LYS CB C 100 32.171 32.171 31.815 0.356 18107 842 1 2 . 1 1 83 83 LYS H H 100 7.566 7.566 8.143 -0.577 18107 843 1 2 . 1 1 84 84 ASP N N 101 121.591 121.591 121.260 0.331 18107 844 1 2 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.511 -0.114 18107 845 1 2 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.019 0.677 18107 846 1 2 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.595 -0.190 18107 847 1 2 . 1 1 84 84 ASP H H 101 7.743 7.743 8.126 -0.383 18107 848 1 2 . 1 1 85 85 LEU N N 102 123.215 123.215 120.374 2.841 18107 849 1 2 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.924 -0.074 18107 850 1 2 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.344 1.497 18107 851 1 2 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.830 0.742 18107 852 1 2 . 1 1 85 85 LEU H H 102 8.760 8.760 8.340 0.420 18107 853 1 2 . 1 1 86 86 LYS N N 103 119.648 119.648 117.979 1.669 18107 854 1 2 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.069 -0.001 18107 855 1 2 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.664 0.128 18107 856 1 2 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.185 -0.053 18107 857 1 2 . 1 1 86 86 LYS H H 103 8.883 8.883 7.766 1.117 18107 858 1 2 . 1 1 87 87 ALA N N 104 122.844 122.844 121.699 1.145 18107 859 1 2 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.182 -0.022 18107 860 1 2 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.716 0.584 18107 861 1 2 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.179 -0.159 18107 862 1 2 . 1 1 87 87 ALA H H 104 7.721 7.721 7.699 0.022 18107 863 1 2 . 1 1 88 88 LEU N N 105 120.380 120.380 118.543 1.837 18107 864 1 2 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.046 -0.054 18107 865 1 2 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.036 0.150 18107 866 1 2 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.189 1.615 18107 867 1 2 . 1 1 88 88 LEU H H 105 7.762 7.762 7.951 -0.189 18107 868 1 2 . 1 1 89 89 GLN N N 106 118.781 118.781 119.415 -0.634 18107 869 1 2 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.908 -0.323 18107 870 1 2 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.377 0.600 18107 871 1 2 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.526 1.101 18107 872 1 2 . 1 1 89 89 GLN H H 106 8.658 8.658 7.978 0.680 18107 873 1 2 . 1 1 90 90 LYS N N 107 118.977 118.977 118.707 0.270 18107 874 1 2 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.144 -0.196 18107 875 1 2 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.294 1.201 18107 876 1 2 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.670 0.753 18107 877 1 2 . 1 1 90 90 LYS H H 107 7.786 7.786 7.704 0.082 18107 878 1 2 . 1 1 91 91 ARG N N 108 117.470 117.470 120.557 -3.087 18107 879 1 2 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.133 -0.130 18107 880 1 2 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.409 0.173 18107 881 1 2 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.210 1.418 18107 882 1 2 . 1 1 91 91 ARG H H 108 7.469 7.469 7.649 -0.180 18107 883 1 2 . 1 1 92 92 VAL N N 109 117.865 117.865 119.554 -1.689 18107 884 1 2 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.667 -0.185 18107 885 1 2 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.953 0.658 18107 886 1 2 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.637 0.574 18107 887 1 2 . 1 1 92 92 VAL H H 109 8.084 8.084 8.357 -0.273 18107 888 1 2 . 1 1 93 93 GLN N N 110 119.617 119.617 117.862 1.755 18107 889 1 2 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.995 -0.119 18107 890 1 2 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.776 0.458 18107 891 1 2 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.823 0.201 18107 892 1 2 . 1 1 93 93 GLN H H 110 8.512 8.512 8.314 0.198 18107 893 1 2 . 1 1 94 94 ASP N N 111 117.490 117.490 119.749 -2.259 18107 894 1 2 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.550 -0.059 18107 895 1 2 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.260 -0.979 18107 896 1 2 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.752 0.083 18107 897 1 2 . 1 1 94 94 ASP H H 111 8.194 8.194 8.222 -0.028 18107 898 1 2 . 1 1 95 95 SER N N 112 116.625 116.625 114.066 2.559 18107 899 1 2 . 1 1 95 95 SER HA H 112 4.288 4.288 4.216 0.072 18107 900 1 2 . 1 1 95 95 SER CA C 112 59.770 59.770 60.945 -1.175 18107 901 1 2 . 1 1 95 95 SER CB C 112 63.990 63.990 63.599 0.391 18107 902 1 2 . 1 1 95 95 SER H H 112 7.479 7.479 7.656 -0.177 18107 903 1 3 . 1 1 2 2 THR HA H 19 4.222 4.222 4.140 0.082 18107 904 1 3 . 1 1 2 2 THR CA C 19 63.013 63.013 66.317 -3.304 18107 905 1 3 . 1 1 2 2 THR CB C 19 69.504 69.504 68.493 1.011 18107 906 1 3 . 1 1 3 3 ALA N N 20 125.065 125.065 122.894 2.171 18107 907 1 3 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.857 0.293 18107 908 1 3 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.860 0.096 18107 909 1 3 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.144 0.853 18107 910 1 3 . 1 1 3 3 ALA H H 20 8.404 8.404 8.463 -0.059 18107 911 1 3 . 1 1 4 4 THR N N 21 109.840 109.840 111.361 -1.521 18107 912 1 3 . 1 1 4 4 THR HA H 21 4.235 4.235 3.810 0.425 18107 913 1 3 . 1 1 4 4 THR CA C 21 64.668 64.668 64.711 -0.043 18107 914 1 3 . 1 1 4 4 THR CB C 21 68.923 68.923 67.868 1.055 18107 915 1 3 . 1 1 4 4 THR H H 21 7.910 7.910 8.114 -0.204 18107 916 1 3 . 1 1 5 5 GLN N N 22 122.037 122.037 118.943 3.094 18107 917 1 3 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.202 -0.151 18107 918 1 3 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.565 -0.401 18107 919 1 3 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.897 -0.340 18107 920 1 3 . 1 1 5 5 GLN H H 22 7.953 7.953 7.689 0.264 18107 921 1 3 . 1 1 6 6 ARG N N 23 118.944 118.944 119.352 -0.408 18107 922 1 3 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.103 0.003 18107 923 1 3 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.598 -0.506 18107 924 1 3 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.389 -0.242 18107 925 1 3 . 1 1 6 6 ARG H H 23 7.922 7.922 7.462 0.460 18107 926 1 3 . 1 1 7 7 PHE N N 24 116.543 116.543 114.104 2.439 18107 927 1 3 . 1 1 7 7 PHE H H 24 8.276 8.276 7.575 0.701 18107 928 1 3 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.787 -0.292 18107 929 1 3 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.941 2.079 18107 930 1 3 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.357 -1.305 18107 931 1 3 . 1 1 9 9 GLU N N 26 118.298 118.298 119.046 -0.748 18107 932 1 3 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.163 -0.173 18107 933 1 3 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.832 -0.454 18107 934 1 3 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.143 0.169 18107 935 1 3 . 1 1 9 9 GLU H H 26 8.148 8.148 8.668 -0.520 18107 936 1 3 . 1 1 10 10 ILE N N 27 121.761 121.761 118.066 3.695 18107 937 1 3 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.745 0.219 18107 938 1 3 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.467 -2.004 18107 939 1 3 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.684 -0.434 18107 940 1 3 . 1 1 10 10 ILE H H 27 8.165 8.165 8.256 -0.091 18107 941 1 3 . 1 1 11 11 GLU N N 28 122.042 122.042 120.982 1.060 18107 942 1 3 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.003 -0.166 18107 943 1 3 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.001 0.627 18107 944 1 3 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.526 0.480 18107 945 1 3 . 1 1 11 11 GLU H H 28 8.541 8.541 8.282 0.259 18107 946 1 3 . 1 1 12 12 LYS N N 29 117.967 117.967 119.069 -1.102 18107 947 1 3 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.091 -0.149 18107 948 1 3 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.496 0.245 18107 949 1 3 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.261 0.191 18107 950 1 3 . 1 1 12 12 LYS H H 29 7.517 7.517 8.201 -0.684 18107 951 1 3 . 1 1 13 13 PHE N N 30 122.144 122.144 119.418 2.726 18107 952 1 3 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.311 0.118 18107 953 1 3 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.572 -0.785 18107 954 1 3 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.876 0.335 18107 955 1 3 . 1 1 13 13 PHE H H 30 8.066 8.066 8.048 0.018 18107 956 1 3 . 1 1 14 14 LEU N N 31 119.404 119.404 119.816 -0.412 18107 957 1 3 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.021 -0.287 18107 958 1 3 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.785 -1.021 18107 959 1 3 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.422 0.014 18107 960 1 3 . 1 1 14 14 LEU H H 31 8.739 8.739 8.049 0.690 18107 961 1 3 . 1 1 15 15 LEU N N 32 121.073 121.073 118.098 2.975 18107 962 1 3 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.082 -0.122 18107 963 1 3 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.966 0.366 18107 964 1 3 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.897 1.065 18107 965 1 3 . 1 1 15 15 LEU H H 32 7.736 7.736 7.653 0.083 18107 966 1 3 . 1 1 16 16 HIS N N 33 118.629 118.629 119.763 -1.134 18107 967 1 3 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.259 0.087 18107 968 1 3 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.724 -0.079 18107 969 1 3 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.404 -0.103 18107 970 1 3 . 1 1 16 16 HIS H H 33 7.681 7.681 8.194 -0.513 18107 971 1 3 . 1 1 17 17 ILE N N 34 118.602 118.602 119.826 -1.224 18107 972 1 3 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.663 0.142 18107 973 1 3 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.222 -1.715 18107 974 1 3 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.143 -0.698 18107 975 1 3 . 1 1 17 17 ILE H H 34 8.502 8.502 8.677 -0.175 18107 976 1 3 . 1 1 18 18 THR N N 35 117.776 117.776 116.404 1.372 18107 977 1 3 . 1 1 18 18 THR HA H 35 4.116 4.116 3.865 0.251 18107 978 1 3 . 1 1 18 18 THR CA C 35 68.694 68.694 67.364 1.330 18107 979 1 3 . 1 1 18 18 THR CB C 35 68.694 68.694 68.729 -0.035 18107 980 1 3 . 1 1 18 18 THR H H 35 7.726 7.726 7.815 -0.089 18107 981 1 3 . 1 1 19 19 HIS N N 36 118.130 118.130 119.813 -1.683 18107 982 1 3 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.209 0.192 18107 983 1 3 . 1 1 19 19 HIS CA C 36 58.786 58.786 60.202 -1.416 18107 984 1 3 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.318 -0.248 18107 985 1 3 . 1 1 19 19 HIS H H 36 7.177 7.177 7.963 -0.786 18107 986 1 3 . 1 1 20 20 GLU N N 37 119.301 119.301 119.450 -0.149 18107 987 1 3 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.998 0.052 18107 988 1 3 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.110 0.447 18107 989 1 3 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.534 0.522 18107 990 1 3 . 1 1 20 20 GLU H H 37 7.335 7.335 7.833 -0.498 18107 991 1 3 . 1 1 21 21 VAL N N 38 122.744 122.744 119.066 3.678 18107 992 1 3 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.614 -0.192 18107 993 1 3 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.410 0.639 18107 994 1 3 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.473 -0.100 18107 995 1 3 . 1 1 21 21 VAL H H 38 8.385 8.385 7.717 0.668 18107 996 1 3 . 1 1 22 22 ASP N N 39 120.471 120.471 120.611 -0.140 18107 997 1 3 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.449 -0.302 18107 998 1 3 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.454 0.272 18107 999 1 3 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.223 0.164 18107 1000 1 3 . 1 1 22 22 ASP H H 39 8.054 8.054 7.797 0.257 18107 1001 1 3 . 1 1 23 23 ASP N N 40 118.541 118.541 120.090 -1.549 18107 1002 1 3 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.418 0.002 18107 1003 1 3 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.681 -0.194 18107 1004 1 3 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.002 0.172 18107 1005 1 3 . 1 1 23 23 ASP H H 40 7.587 7.587 7.821 -0.234 18107 1006 1 3 . 1 1 24 24 LEU N N 41 123.241 123.241 117.374 5.867 18107 1007 1 3 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.294 -0.126 18107 1008 1 3 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.923 -0.216 18107 1009 1 3 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.146 0.763 18107 1010 1 3 . 1 1 24 24 LEU H H 41 8.032 8.032 8.252 -0.220 18107 1011 1 3 . 1 1 25 25 GLU N N 42 117.508 117.508 120.001 -2.493 18107 1012 1 3 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.023 -0.103 18107 1013 1 3 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.375 -0.293 18107 1014 1 3 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.745 0.118 18107 1015 1 3 . 1 1 25 25 GLU H H 42 8.010 8.010 8.214 -0.204 18107 1016 1 3 . 1 1 26 26 LYS N N 43 117.032 117.032 115.127 1.905 18107 1017 1 3 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.363 -0.120 18107 1018 1 3 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.425 0.826 18107 1019 1 3 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.565 0.942 18107 1020 1 3 . 1 1 26 26 LYS H H 43 7.596 7.596 7.724 -0.128 18107 1021 1 3 . 1 1 27 27 THR N N 44 110.288 110.288 112.690 -2.402 18107 1022 1 3 . 1 1 27 27 THR HA H 44 4.271 4.271 4.428 -0.157 18107 1023 1 3 . 1 1 27 27 THR CA C 44 62.820 62.820 63.736 -0.916 18107 1024 1 3 . 1 1 27 27 THR CB C 44 70.733 70.733 70.257 0.476 18107 1025 1 3 . 1 1 27 27 THR H H 44 8.227 8.227 7.735 0.492 18107 1026 1 3 . 1 1 28 28 GLY N N 45 112.257 112.257 107.285 4.972 18107 1027 1 3 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.938 0.723 18107 1028 1 3 . 1 1 28 28 GLY H H 45 8.727 8.727 8.244 0.483 18107 1029 1 3 . 1 1 29 29 ASN N N 46 118.416 118.416 118.230 0.186 18107 1030 1 3 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.399 0.070 18107 1031 1 3 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.636 0.661 18107 1032 1 3 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.174 1.936 18107 1033 1 3 . 1 1 29 29 ASN H H 46 7.716 7.716 8.502 -0.786 18107 1034 1 3 . 1 1 30 30 LYS N N 47 126.481 126.481 118.197 8.284 18107 1035 1 3 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.156 -0.168 18107 1036 1 3 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.411 0.780 18107 1037 1 3 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.559 -0.046 18107 1038 1 3 . 1 1 30 30 LYS H H 47 8.770 8.770 8.607 0.163 18107 1039 1 3 . 1 1 31 31 ASP N N 48 121.710 121.710 112.187 9.523 18107 1040 1 3 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.763 -0.296 18107 1041 1 3 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.226 3.409 18107 1042 1 3 . 1 1 31 31 ASP CB C 48 40.444 40.444 40.877 -0.433 18107 1043 1 3 . 1 1 31 31 ASP H H 48 8.229 8.229 7.964 0.265 18107 1044 1 3 . 1 1 32 32 GLU N N 49 121.695 121.695 120.965 0.730 18107 1045 1 3 . 1 1 32 32 GLU HA H 49 4.357 4.357 3.975 0.382 18107 1046 1 3 . 1 1 32 32 GLU H H 49 8.048 8.048 8.617 -0.569 18107 1047 1 3 . 1 1 33 33 LYS N N 50 120.099 120.099 120.440 -0.341 18107 1048 1 3 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.978 -0.327 18107 1049 1 3 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.446 1.391 18107 1050 1 3 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.928 1.039 18107 1051 1 3 . 1 1 33 33 LYS H H 50 7.975 7.975 8.022 -0.047 18107 1052 1 3 . 1 1 34 34 ALA N N 51 118.238 118.238 120.505 -2.267 18107 1053 1 3 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.129 -0.140 18107 1054 1 3 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.017 0.377 18107 1055 1 3 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.153 0.059 18107 1056 1 3 . 1 1 34 34 ALA H H 51 7.614 7.614 8.315 -0.701 18107 1057 1 3 . 1 1 35 35 ARG N N 52 120.311 120.311 119.682 0.629 18107 1058 1 3 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.095 1.796 18107 1059 1 3 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.227 0.823 18107 1060 1 3 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.486 -0.075 18107 1061 1 3 . 1 1 35 35 ARG H H 52 7.883 7.883 7.952 -0.069 18107 1062 1 3 . 1 1 36 36 LEU N N 53 119.541 119.541 119.310 0.231 18107 1063 1 3 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.424 -0.478 18107 1064 1 3 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.895 0.594 18107 1065 1 3 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.473 0.969 18107 1066 1 3 . 1 1 36 36 LEU H H 53 8.553 8.553 8.517 0.036 18107 1067 1 3 . 1 1 37 37 LEU N N 54 117.789 117.789 120.311 -2.522 18107 1068 1 3 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.866 0.199 18107 1069 1 3 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.037 0.605 18107 1070 1 3 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.359 -0.040 18107 1071 1 3 . 1 1 37 37 LEU H H 54 8.341 8.341 7.871 0.470 18107 1072 1 3 . 1 1 38 38 ARG N N 55 121.176 121.176 118.280 2.896 18107 1073 1 3 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.114 -0.046 18107 1074 1 3 . 1 1 38 38 ARG CA C 55 60.325 60.325 57.818 2.507 18107 1075 1 3 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.225 0.845 18107 1076 1 3 . 1 1 38 38 ARG H H 55 7.864 7.864 7.963 -0.099 18107 1077 1 3 . 1 1 39 39 GLU N N 56 119.256 119.256 121.088 -1.832 18107 1078 1 3 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.143 -0.083 18107 1079 1 3 . 1 1 39 39 GLU CA C 56 59.894 59.894 60.046 -0.152 18107 1080 1 3 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.518 0.383 18107 1081 1 3 . 1 1 39 39 GLU H H 56 8.390 8.390 7.771 0.619 18107 1082 1 3 . 1 1 40 40 LEU N N 57 120.312 120.312 117.380 2.932 18107 1083 1 3 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.262 -0.134 18107 1084 1 3 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.094 0.527 18107 1085 1 3 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.449 0.780 18107 1086 1 3 . 1 1 40 40 LEU H H 57 8.802 8.802 8.010 0.792 18107 1087 1 3 . 1 1 41 41 THR N N 58 117.791 117.791 117.456 0.335 18107 1088 1 3 . 1 1 41 41 THR HA H 58 4.341 4.341 3.800 0.541 18107 1089 1 3 . 1 1 41 41 THR CA C 58 67.542 67.542 67.673 -0.131 18107 1090 1 3 . 1 1 41 41 THR CB C 58 69.157 69.157 68.652 0.505 18107 1091 1 3 . 1 1 41 41 THR H H 58 8.182 8.182 7.816 0.366 18107 1092 1 3 . 1 1 42 42 VAL N N 59 123.554 123.554 121.155 2.399 18107 1093 1 3 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.495 0.228 18107 1094 1 3 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.944 -0.089 18107 1095 1 3 . 1 1 42 42 VAL H H 59 7.978 7.978 8.323 -0.345 18107 1096 1 3 . 1 1 43 43 SER N N 60 116.859 116.859 114.307 2.552 18107 1097 1 3 . 1 1 43 43 SER HA H 60 4.155 4.155 0.988 3.167 18107 1098 1 3 . 1 1 43 43 SER CA C 60 63.412 63.412 60.862 2.550 18107 1099 1 3 . 1 1 43 43 SER H H 60 7.715 7.715 7.524 0.191 18107 1100 1 3 . 1 1 44 44 GLU N N 61 124.072 124.072 120.953 3.119 18107 1101 1 3 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.884 -0.258 18107 1102 1 3 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.065 1.438 18107 1103 1 3 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.478 0.316 18107 1104 1 3 . 1 1 44 44 GLU H H 61 8.517 8.517 8.124 0.393 18107 1105 1 3 . 1 1 45 45 ALA N N 62 120.467 120.467 121.919 -1.452 18107 1106 1 3 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.094 0.055 18107 1107 1 3 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.012 0.214 18107 1108 1 3 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.163 -0.318 18107 1109 1 3 . 1 1 45 45 ALA H H 62 7.853 7.853 7.638 0.215 18107 1110 1 3 . 1 1 46 46 PHE N N 63 119.936 119.936 118.001 1.935 18107 1111 1 3 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.141 0.124 18107 1112 1 3 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.831 2.705 18107 1113 1 3 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.347 1.845 18107 1114 1 3 . 1 1 46 46 PHE H H 63 7.946 7.946 7.215 0.731 18107 1115 1 3 . 1 1 47 47 ILE N N 64 122.630 122.630 119.649 2.981 18107 1116 1 3 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.280 0.340 18107 1117 1 3 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.412 1.946 18107 1118 1 3 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.526 1.855 18107 1119 1 3 . 1 1 47 47 ILE H H 64 8.595 8.595 7.800 0.795 18107 1120 1 3 . 1 1 48 48 GLU N N 65 120.257 120.257 119.657 0.600 18107 1121 1 3 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.938 0.651 18107 1122 1 3 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.536 -0.180 18107 1123 1 3 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.284 0.317 18107 1124 1 3 . 1 1 48 48 GLU H H 65 9.078 9.078 7.891 1.187 18107 1125 1 3 . 1 1 49 49 GLY N N 66 108.368 108.368 107.281 1.087 18107 1126 1 3 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.712 0.441 18107 1127 1 3 . 1 1 49 49 GLY H H 66 8.379 8.379 8.494 -0.115 18107 1128 1 3 . 1 1 50 50 SER N N 67 119.358 119.358 118.473 0.885 18107 1129 1 3 . 1 1 50 50 SER HA H 67 3.988 3.988 3.958 0.030 18107 1130 1 3 . 1 1 50 50 SER CA C 67 62.501 62.501 61.967 0.534 18107 1131 1 3 . 1 1 50 50 SER CB C 67 63.441 63.441 62.996 0.445 18107 1132 1 3 . 1 1 50 50 SER H H 67 7.694 7.694 8.252 -0.558 18107 1133 1 3 . 1 1 51 51 ARG N N 68 121.212 121.212 121.404 -0.192 18107 1134 1 3 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.212 -0.304 18107 1135 1 3 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.669 1.372 18107 1136 1 3 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.180 0.577 18107 1137 1 3 . 1 1 51 51 ARG H H 68 8.684 8.684 8.063 0.621 18107 1138 1 3 . 1 1 52 52 GLY N N 69 124.556 124.556 106.387 18.169 18107 1139 1 3 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.797 0.466 18107 1140 1 3 . 1 1 52 52 GLY H H 69 8.068 8.068 8.069 -0.001 18107 1141 1 3 . 1 1 53 53 TYR N N 70 123.123 123.123 123.357 -0.234 18107 1142 1 3 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.138 -0.069 18107 1143 1 3 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.152 -0.332 18107 1144 1 3 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.445 -0.698 18107 1145 1 3 . 1 1 53 53 TYR H H 70 7.337 7.337 7.635 -0.298 18107 1146 1 3 . 1 1 54 54 PHE N N 71 117.809 117.809 118.549 -0.740 18107 1147 1 3 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.944 -0.277 18107 1148 1 3 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.832 -0.343 18107 1149 1 3 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.044 0.705 18107 1150 1 3 . 1 1 54 54 PHE H H 71 7.965 7.965 7.591 0.374 18107 1151 1 3 . 1 1 55 55 GLN N N 72 115.519 115.519 118.396 -2.877 18107 1152 1 3 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.028 -0.170 18107 1153 1 3 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.021 0.587 18107 1154 1 3 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.794 0.202 18107 1155 1 3 . 1 1 55 55 GLN H H 72 8.522 8.522 7.946 0.576 18107 1156 1 3 . 1 1 56 56 ARG N N 73 118.947 118.947 117.699 1.248 18107 1157 1 3 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.103 -0.231 18107 1158 1 3 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.906 2.015 18107 1159 1 3 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.960 0.126 18107 1160 1 3 . 1 1 56 56 ARG H H 73 7.677 7.677 7.567 0.110 18107 1161 1 3 . 1 1 57 57 GLU N N 74 121.204 121.204 121.921 -0.717 18107 1162 1 3 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.967 -0.285 18107 1163 1 3 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.219 -0.285 18107 1164 1 3 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.961 0.732 18107 1165 1 3 . 1 1 57 57 GLU H H 74 7.897 7.897 8.209 -0.312 18107 1166 1 3 . 1 1 58 58 LEU N N 75 115.348 115.348 119.294 -3.946 18107 1167 1 3 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.158 -0.098 18107 1168 1 3 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.937 -1.043 18107 1169 1 3 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.068 0.262 18107 1170 1 3 . 1 1 58 58 LEU H H 75 7.746 7.746 7.820 -0.074 18107 1171 1 3 . 1 1 59 59 LYS N N 76 117.429 117.429 117.262 0.167 18107 1172 1 3 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.301 -0.101 18107 1173 1 3 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.913 0.695 18107 1174 1 3 . 1 1 59 59 LYS CB C 76 32.883 32.883 31.954 0.929 18107 1175 1 3 . 1 1 59 59 LYS H H 76 7.233 7.233 8.057 -0.824 18107 1176 1 3 . 1 1 60 60 ARG N N 77 120.555 120.555 120.207 0.348 18107 1177 1 3 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.043 0.083 18107 1178 1 3 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.896 -1.197 18107 1179 1 3 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.340 1.458 18107 1180 1 3 . 1 1 60 60 ARG H H 77 7.701 7.701 8.182 -0.481 18107 1181 1 3 . 1 1 61 61 THR N N 78 111.768 111.768 107.811 3.957 18107 1182 1 3 . 1 1 61 61 THR HA H 78 4.414 4.414 4.102 0.312 18107 1183 1 3 . 1 1 61 61 THR CA C 78 62.557 62.557 64.491 -1.934 18107 1184 1 3 . 1 1 61 61 THR CB C 78 69.221 69.221 67.847 1.374 18107 1185 1 3 . 1 1 61 61 THR H H 78 8.638 8.638 8.110 0.528 18107 1186 1 3 . 1 1 62 62 ASP N N 79 120.616 120.616 119.916 0.700 18107 1187 1 3 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.888 -0.256 18107 1188 1 3 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.327 -1.365 18107 1189 1 3 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.571 -1.325 18107 1190 1 3 . 1 1 62 62 ASP H H 79 8.465 8.465 8.543 -0.078 18107 1191 1 3 . 1 1 63 63 LEU N N 80 120.063 120.063 115.946 4.117 18107 1192 1 3 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.063 -0.818 18107 1193 1 3 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.883 1.329 18107 1194 1 3 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.563 -1.768 18107 1195 1 3 . 1 1 63 63 LEU H H 80 7.157 7.157 7.454 -0.296 18107 1196 1 3 . 1 1 64 64 ASP N N 81 125.396 125.396 121.833 3.563 18107 1197 1 3 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.955 -0.386 18107 1198 1 3 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.670 1.307 18107 1199 1 3 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.397 -1.597 18107 1200 1 3 . 1 1 64 64 ASP H H 81 8.926 8.926 8.207 0.719 18107 1201 1 3 . 1 1 65 65 LEU N N 82 122.508 122.508 120.850 1.658 18107 1202 1 3 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.089 -0.251 18107 1203 1 3 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.181 0.640 18107 1204 1 3 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.921 0.274 18107 1205 1 3 . 1 1 65 65 LEU H H 82 8.281 8.281 8.250 0.031 18107 1206 1 3 . 1 1 66 66 LEU N N 83 119.413 119.413 119.952 -0.539 18107 1207 1 3 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.993 0.079 18107 1208 1 3 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.402 -0.374 18107 1209 1 3 . 1 1 66 66 LEU CB C 83 41.351 41.351 41.150 0.201 18107 1210 1 3 . 1 1 66 66 LEU H H 83 8.149 8.149 7.768 0.381 18107 1211 1 3 . 1 1 67 67 GLU N N 84 119.941 119.941 117.836 2.105 18107 1212 1 3 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.633 0.213 18107 1213 1 3 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.496 -0.973 18107 1214 1 3 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.147 1.065 18107 1215 1 3 . 1 1 67 67 GLU H H 84 7.725 7.725 8.526 -0.801 18107 1216 1 3 . 1 1 68 68 LYS N N 85 119.400 119.400 120.016 -0.616 18107 1217 1 3 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.868 -0.067 18107 1218 1 3 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.232 1.588 18107 1219 1 3 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.453 0.462 18107 1220 1 3 . 1 1 68 68 LYS H H 85 8.117 8.117 8.185 -0.068 18107 1221 1 3 . 1 1 69 69 PHE N N 86 117.969 117.969 119.614 -1.645 18107 1222 1 3 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.077 0.212 18107 1223 1 3 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.297 -0.428 18107 1224 1 3 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.958 -0.203 18107 1225 1 3 . 1 1 69 69 PHE H H 86 7.975 7.975 8.388 -0.413 18107 1226 1 3 . 1 1 70 70 ASN N N 87 118.904 118.904 118.275 0.629 18107 1227 1 3 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.333 0.028 18107 1228 1 3 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.096 0.172 18107 1229 1 3 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.193 -0.095 18107 1230 1 3 . 1 1 70 70 ASN H H 87 8.259 8.259 7.307 0.952 18107 1231 1 3 . 1 1 71 71 PHE N N 88 121.068 121.068 118.908 2.160 18107 1232 1 3 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.394 0.872 18107 1233 1 3 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.787 1.000 18107 1234 1 3 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.535 0.495 18107 1235 1 3 . 1 1 71 71 PHE H H 88 8.618 8.618 7.285 1.333 18107 1236 1 3 . 1 1 72 72 GLU N N 89 120.500 120.500 119.714 0.786 18107 1237 1 3 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.897 -0.044 18107 1238 1 3 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.047 1.450 18107 1239 1 3 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.356 0.155 18107 1240 1 3 . 1 1 72 72 GLU H H 89 8.709 8.709 8.640 0.069 18107 1241 1 3 . 1 1 73 73 ALA N N 90 123.117 123.117 121.812 1.305 18107 1242 1 3 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.848 0.190 18107 1243 1 3 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.655 0.346 18107 1244 1 3 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.822 0.126 18107 1245 1 3 . 1 1 73 73 ALA H H 90 8.158 8.158 7.734 0.424 18107 1246 1 3 . 1 1 74 74 ALA N N 91 122.919 122.919 121.270 1.649 18107 1247 1 3 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.035 -0.084 18107 1248 1 3 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.450 0.829 18107 1249 1 3 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.285 -0.619 18107 1250 1 3 . 1 1 74 74 ALA H H 91 7.841 7.841 8.048 -0.207 18107 1251 1 3 . 1 1 75 75 LEU N N 92 119.956 119.956 119.757 0.199 18107 1252 1 3 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.192 -0.145 18107 1253 1 3 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.232 0.227 18107 1254 1 3 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.752 0.407 18107 1255 1 3 . 1 1 75 75 LEU H H 92 8.091 8.091 8.337 -0.246 18107 1256 1 3 . 1 1 76 76 ALA N N 93 120.763 120.763 121.015 -0.252 18107 1257 1 3 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.112 0.018 18107 1258 1 3 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.382 0.022 18107 1259 1 3 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.072 -0.202 18107 1260 1 3 . 1 1 76 76 ALA H H 93 7.774 7.774 7.960 -0.186 18107 1261 1 3 . 1 1 77 77 THR N N 94 117.510 117.510 115.799 1.711 18107 1262 1 3 . 1 1 77 77 THR HA H 94 4.234 4.234 4.087 0.147 18107 1263 1 3 . 1 1 77 77 THR CA C 94 67.364 67.364 66.319 1.045 18107 1264 1 3 . 1 1 77 77 THR CB C 94 68.779 68.779 68.543 0.235 18107 1265 1 3 . 1 1 77 77 THR H H 94 8.188 8.188 7.733 0.455 18107 1266 1 3 . 1 1 78 78 GLY N N 95 110.009 110.009 110.157 -0.148 18107 1267 1 3 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.973 1.177 18107 1268 1 3 . 1 1 78 78 GLY H H 95 8.547 8.547 8.881 -0.334 18107 1269 1 3 . 1 1 79 79 ASP N N 96 121.634 121.634 122.987 -1.353 18107 1270 1 3 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.430 -0.162 18107 1271 1 3 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.887 0.049 18107 1272 1 3 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.676 -0.036 18107 1273 1 3 . 1 1 79 79 ASP H H 96 8.548 8.548 8.193 0.355 18107 1274 1 3 . 1 1 80 80 LEU N N 97 122.599 122.599 119.522 3.077 18107 1275 1 3 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.066 -0.058 18107 1276 1 3 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.763 0.679 18107 1277 1 3 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.209 -0.280 18107 1278 1 3 . 1 1 80 80 LEU H H 97 7.618 7.618 7.790 -0.172 18107 1279 1 3 . 1 1 81 81 LEU N N 98 119.913 119.913 117.950 1.963 18107 1280 1 3 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.178 -0.147 18107 1281 1 3 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.933 -0.125 18107 1282 1 3 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.355 1.006 18107 1283 1 3 . 1 1 81 81 LEU H H 98 8.224 8.224 7.871 0.353 18107 1284 1 3 . 1 1 82 82 LEU N N 99 118.616 118.616 120.675 -2.059 18107 1285 1 3 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.893 0.082 18107 1286 1 3 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.214 -0.145 18107 1287 1 3 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.385 0.780 18107 1288 1 3 . 1 1 82 82 LEU H H 99 8.359 8.359 8.635 -0.276 18107 1289 1 3 . 1 1 83 83 LYS N N 100 118.988 118.988 119.025 -0.037 18107 1290 1 3 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.957 -0.073 18107 1291 1 3 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.923 0.343 18107 1292 1 3 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.055 0.116 18107 1293 1 3 . 1 1 83 83 LYS H H 100 7.566 7.566 7.695 -0.129 18107 1294 1 3 . 1 1 84 84 ASP N N 101 121.591 121.591 120.941 0.650 18107 1295 1 3 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.505 -0.108 18107 1296 1 3 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.005 0.691 18107 1297 1 3 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.960 -0.555 18107 1298 1 3 . 1 1 84 84 ASP H H 101 7.743 7.743 7.699 0.044 18107 1299 1 3 . 1 1 85 85 LEU N N 102 123.215 123.215 120.753 2.462 18107 1300 1 3 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.889 -0.039 18107 1301 1 3 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.034 1.807 18107 1302 1 3 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.794 0.777 18107 1303 1 3 . 1 1 85 85 LEU H H 102 8.760 8.760 8.484 0.276 18107 1304 1 3 . 1 1 86 86 LYS N N 103 119.648 119.648 119.592 0.056 18107 1305 1 3 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.062 0.006 18107 1306 1 3 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.903 -0.111 18107 1307 1 3 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.171 -1.039 18107 1308 1 3 . 1 1 86 86 LYS H H 103 8.883 8.883 7.834 1.049 18107 1309 1 3 . 1 1 87 87 ALA N N 104 122.844 122.844 121.420 1.424 18107 1310 1 3 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.136 0.024 18107 1311 1 3 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.810 0.490 18107 1312 1 3 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.167 -0.147 18107 1313 1 3 . 1 1 87 87 ALA H H 104 7.721 7.721 7.615 0.106 18107 1314 1 3 . 1 1 88 88 LEU N N 105 120.380 120.380 118.882 1.498 18107 1315 1 3 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.001 -0.009 18107 1316 1 3 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.331 -0.145 18107 1317 1 3 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.122 1.682 18107 1318 1 3 . 1 1 88 88 LEU H H 105 7.762 7.762 8.256 -0.494 18107 1319 1 3 . 1 1 89 89 GLN N N 106 118.781 118.781 119.339 -0.558 18107 1320 1 3 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.890 -0.305 18107 1321 1 3 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.375 0.602 18107 1322 1 3 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.546 1.081 18107 1323 1 3 . 1 1 89 89 GLN H H 106 8.658 8.658 7.962 0.696 18107 1324 1 3 . 1 1 90 90 LYS N N 107 118.977 118.977 118.879 0.098 18107 1325 1 3 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.095 -0.147 18107 1326 1 3 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.483 1.012 18107 1327 1 3 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.686 0.737 18107 1328 1 3 . 1 1 90 90 LYS H H 107 7.786 7.786 7.693 0.093 18107 1329 1 3 . 1 1 91 91 ARG N N 108 117.470 117.470 120.001 -2.531 18107 1330 1 3 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.080 -0.077 18107 1331 1 3 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.536 0.046 18107 1332 1 3 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.313 1.315 18107 1333 1 3 . 1 1 91 91 ARG H H 108 7.469 7.469 7.643 -0.174 18107 1334 1 3 . 1 1 92 92 VAL N N 109 117.865 117.865 120.682 -2.817 18107 1335 1 3 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.693 -0.211 18107 1336 1 3 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.333 0.278 18107 1337 1 3 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.506 0.705 18107 1338 1 3 . 1 1 92 92 VAL H H 109 8.084 8.084 8.611 -0.527 18107 1339 1 3 . 1 1 93 93 GLN N N 110 119.617 119.617 118.180 1.437 18107 1340 1 3 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.974 -0.098 18107 1341 1 3 . 1 1 93 93 GLN CA C 110 59.234 59.234 59.115 0.119 18107 1342 1 3 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.426 0.598 18107 1343 1 3 . 1 1 93 93 GLN H H 110 8.512 8.512 8.387 0.125 18107 1344 1 3 . 1 1 94 94 ASP N N 111 117.490 117.490 118.524 -1.034 18107 1345 1 3 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.582 -0.090 18107 1346 1 3 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.807 -0.526 18107 1347 1 3 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.758 -0.923 18107 1348 1 3 . 1 1 94 94 ASP H H 111 8.194 8.194 7.712 0.482 18107 1349 1 3 . 1 1 95 95 SER N N 112 116.625 116.625 113.227 3.398 18107 1350 1 3 . 1 1 95 95 SER HA H 112 4.288 4.288 4.017 0.271 18107 1351 1 3 . 1 1 95 95 SER CA C 112 59.770 59.770 60.616 -0.846 18107 1352 1 3 . 1 1 95 95 SER CB C 112 63.990 63.990 62.428 1.562 18107 1353 1 3 . 1 1 95 95 SER H H 112 7.479 7.479 8.519 -1.040 18107 1354 1 4 . 1 1 2 2 THR HA H 19 4.222 4.222 4.158 0.064 18107 1355 1 4 . 1 1 2 2 THR CA C 19 63.013 63.013 65.369 -2.356 18107 1356 1 4 . 1 1 2 2 THR CB C 19 69.504 69.504 68.482 1.022 18107 1357 1 4 . 1 1 3 3 ALA N N 20 125.065 125.065 124.365 0.700 18107 1358 1 4 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.984 0.166 18107 1359 1 4 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.923 0.033 18107 1360 1 4 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.127 0.870 18107 1361 1 4 . 1 1 3 3 ALA H H 20 8.404 8.404 8.392 0.012 18107 1362 1 4 . 1 1 4 4 THR N N 21 109.840 109.840 111.517 -1.677 18107 1363 1 4 . 1 1 4 4 THR HA H 21 4.235 4.235 3.986 0.249 18107 1364 1 4 . 1 1 4 4 THR CA C 21 64.668 64.668 64.725 -0.057 18107 1365 1 4 . 1 1 4 4 THR CB C 21 68.923 68.923 68.154 0.769 18107 1366 1 4 . 1 1 4 4 THR H H 21 7.910 7.910 8.026 -0.116 18107 1367 1 4 . 1 1 5 5 GLN N N 22 122.037 122.037 119.860 2.177 18107 1368 1 4 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.927 0.124 18107 1369 1 4 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.667 -0.503 18107 1370 1 4 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.744 -0.187 18107 1371 1 4 . 1 1 5 5 GLN H H 22 7.953 7.953 7.846 0.107 18107 1372 1 4 . 1 1 6 6 ARG N N 23 118.944 118.944 119.739 -0.795 18107 1373 1 4 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.090 0.016 18107 1374 1 4 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.359 -0.267 18107 1375 1 4 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.083 0.064 18107 1376 1 4 . 1 1 6 6 ARG H H 23 7.922 7.922 7.346 0.576 18107 1377 1 4 . 1 1 7 7 PHE N N 24 116.543 116.543 115.344 1.199 18107 1378 1 4 . 1 1 7 7 PHE H H 24 8.276 8.276 7.660 0.616 18107 1379 1 4 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.726 -0.231 18107 1380 1 4 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.135 1.885 18107 1381 1 4 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.970 -0.918 18107 1382 1 4 . 1 1 9 9 GLU N N 26 118.298 118.298 119.647 -1.349 18107 1383 1 4 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.111 -0.121 18107 1384 1 4 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.037 -0.659 18107 1385 1 4 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.411 -0.099 18107 1386 1 4 . 1 1 9 9 GLU H H 26 8.148 8.148 8.667 -0.519 18107 1387 1 4 . 1 1 10 10 ILE N N 27 121.761 121.761 117.296 4.465 18107 1388 1 4 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.730 0.234 18107 1389 1 4 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.217 -0.754 18107 1390 1 4 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.728 0.522 18107 1391 1 4 . 1 1 10 10 ILE H H 27 8.165 8.165 8.260 -0.095 18107 1392 1 4 . 1 1 11 11 GLU N N 28 122.042 122.042 121.221 0.821 18107 1393 1 4 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.032 -0.195 18107 1394 1 4 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.246 0.382 18107 1395 1 4 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.309 0.697 18107 1396 1 4 . 1 1 11 11 GLU H H 28 8.541 8.541 8.353 0.188 18107 1397 1 4 . 1 1 12 12 LYS N N 29 117.967 117.967 119.344 -1.377 18107 1398 1 4 . 1 1 12 12 LYS HA H 29 3.942 3.942 3.993 -0.051 18107 1399 1 4 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.486 0.255 18107 1400 1 4 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.236 0.216 18107 1401 1 4 . 1 1 12 12 LYS H H 29 7.517 7.517 7.993 -0.476 18107 1402 1 4 . 1 1 13 13 PHE N N 30 122.144 122.144 119.764 2.380 18107 1403 1 4 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.310 0.119 18107 1404 1 4 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.178 -0.391 18107 1405 1 4 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.684 0.527 18107 1406 1 4 . 1 1 13 13 PHE H H 30 8.066 8.066 8.058 0.008 18107 1407 1 4 . 1 1 14 14 LEU N N 31 119.404 119.404 120.377 -0.973 18107 1408 1 4 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.908 -0.174 18107 1409 1 4 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.652 -0.888 18107 1410 1 4 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.828 -0.392 18107 1411 1 4 . 1 1 14 14 LEU H H 31 8.739 8.739 7.984 0.755 18107 1412 1 4 . 1 1 15 15 LEU N N 32 121.073 121.073 118.096 2.977 18107 1413 1 4 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.935 0.025 18107 1414 1 4 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.934 0.399 18107 1415 1 4 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.916 1.046 18107 1416 1 4 . 1 1 15 15 LEU H H 32 7.736 7.736 7.592 0.144 18107 1417 1 4 . 1 1 16 16 HIS N N 33 118.629 118.629 118.751 -0.122 18107 1418 1 4 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.279 0.067 18107 1419 1 4 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.939 -0.294 18107 1420 1 4 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.475 -0.174 18107 1421 1 4 . 1 1 16 16 HIS H H 33 7.681 7.681 7.854 -0.173 18107 1422 1 4 . 1 1 17 17 ILE N N 34 118.602 118.602 120.779 -2.177 18107 1423 1 4 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.882 -0.077 18107 1424 1 4 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.071 -1.564 18107 1425 1 4 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.244 -0.799 18107 1426 1 4 . 1 1 17 17 ILE H H 34 8.502 8.502 8.747 -0.245 18107 1427 1 4 . 1 1 18 18 THR N N 35 117.776 117.776 116.332 1.444 18107 1428 1 4 . 1 1 18 18 THR HA H 35 4.116 4.116 3.900 0.216 18107 1429 1 4 . 1 1 18 18 THR CA C 35 68.694 68.694 67.248 1.446 18107 1430 1 4 . 1 1 18 18 THR CB C 35 68.694 68.694 68.697 -0.003 18107 1431 1 4 . 1 1 18 18 THR H H 35 7.726 7.726 7.808 -0.082 18107 1432 1 4 . 1 1 19 19 HIS N N 36 118.130 118.130 119.881 -1.751 18107 1433 1 4 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.227 0.174 18107 1434 1 4 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.222 0.563 18107 1435 1 4 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.231 -0.161 18107 1436 1 4 . 1 1 19 19 HIS H H 36 7.177 7.177 7.981 -0.804 18107 1437 1 4 . 1 1 20 20 GLU N N 37 119.301 119.301 119.140 0.161 18107 1438 1 4 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.951 0.099 18107 1439 1 4 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.453 0.104 18107 1440 1 4 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.398 0.658 18107 1441 1 4 . 1 1 20 20 GLU H H 37 7.335 7.335 8.041 -0.706 18107 1442 1 4 . 1 1 21 21 VAL N N 38 122.744 122.744 119.337 3.407 18107 1443 1 4 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.643 -0.221 18107 1444 1 4 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.618 0.432 18107 1445 1 4 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.754 -0.381 18107 1446 1 4 . 1 1 21 21 VAL H H 38 8.385 8.385 7.405 0.980 18107 1447 1 4 . 1 1 22 22 ASP N N 39 120.471 120.471 120.657 -0.186 18107 1448 1 4 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.381 -0.234 18107 1449 1 4 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.712 0.014 18107 1450 1 4 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.423 -0.036 18107 1451 1 4 . 1 1 22 22 ASP H H 39 8.054 8.054 7.769 0.285 18107 1452 1 4 . 1 1 23 23 ASP N N 40 118.541 118.541 119.920 -1.379 18107 1453 1 4 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.345 0.075 18107 1454 1 4 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.392 0.095 18107 1455 1 4 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.884 0.290 18107 1456 1 4 . 1 1 23 23 ASP H H 40 7.587 7.587 8.059 -0.472 18107 1457 1 4 . 1 1 24 24 LEU N N 41 123.241 123.241 117.145 6.096 18107 1458 1 4 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.186 -0.018 18107 1459 1 4 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.160 -0.452 18107 1460 1 4 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.253 0.656 18107 1461 1 4 . 1 1 24 24 LEU H H 41 8.032 8.032 8.023 0.009 18107 1462 1 4 . 1 1 25 25 GLU N N 42 117.508 117.508 119.903 -2.395 18107 1463 1 4 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.033 -0.113 18107 1464 1 4 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.324 -0.242 18107 1465 1 4 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.717 0.146 18107 1466 1 4 . 1 1 25 25 GLU H H 42 8.010 8.010 8.234 -0.224 18107 1467 1 4 . 1 1 26 26 LYS N N 43 117.032 117.032 115.525 1.507 18107 1468 1 4 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.346 -0.103 18107 1469 1 4 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.552 0.699 18107 1470 1 4 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.383 1.124 18107 1471 1 4 . 1 1 26 26 LYS H H 43 7.596 7.596 7.701 -0.105 18107 1472 1 4 . 1 1 27 27 THR N N 44 110.288 110.288 111.923 -1.635 18107 1473 1 4 . 1 1 27 27 THR HA H 44 4.271 4.271 4.414 -0.143 18107 1474 1 4 . 1 1 27 27 THR CA C 44 62.820 62.820 63.194 -0.374 18107 1475 1 4 . 1 1 27 27 THR CB C 44 70.733 70.733 69.924 0.809 18107 1476 1 4 . 1 1 27 27 THR H H 44 8.227 8.227 7.261 0.966 18107 1477 1 4 . 1 1 28 28 GLY N N 45 112.257 112.257 107.845 4.412 18107 1478 1 4 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.090 0.571 18107 1479 1 4 . 1 1 28 28 GLY H H 45 8.727 8.727 8.207 0.520 18107 1480 1 4 . 1 1 29 29 ASN N N 46 118.416 118.416 117.380 1.036 18107 1481 1 4 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.282 0.187 18107 1482 1 4 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.713 0.584 18107 1483 1 4 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.509 2.601 18107 1484 1 4 . 1 1 29 29 ASN H H 46 7.716 7.716 8.108 -0.392 18107 1485 1 4 . 1 1 30 30 LYS N N 47 126.481 126.481 118.862 7.619 18107 1486 1 4 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.091 -0.103 18107 1487 1 4 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.486 0.705 18107 1488 1 4 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.546 -0.033 18107 1489 1 4 . 1 1 30 30 LYS H H 47 8.770 8.770 8.371 0.399 18107 1490 1 4 . 1 1 31 31 ASP N N 48 121.710 121.710 115.079 6.631 18107 1491 1 4 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.801 -0.334 18107 1492 1 4 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.346 3.289 18107 1493 1 4 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.524 -1.080 18107 1494 1 4 . 1 1 31 31 ASP H H 48 8.229 8.229 8.180 0.049 18107 1495 1 4 . 1 1 32 32 GLU N N 49 121.695 121.695 120.046 1.649 18107 1496 1 4 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.010 0.347 18107 1497 1 4 . 1 1 32 32 GLU H H 49 8.048 8.048 8.643 -0.595 18107 1498 1 4 . 1 1 33 33 LYS N N 50 120.099 120.099 119.949 0.150 18107 1499 1 4 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.956 -0.305 18107 1500 1 4 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.510 0.327 18107 1501 1 4 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.779 1.188 18107 1502 1 4 . 1 1 33 33 LYS H H 50 7.975 7.975 8.520 -0.545 18107 1503 1 4 . 1 1 34 34 ALA N N 51 118.238 118.238 119.714 -1.476 18107 1504 1 4 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.008 -0.019 18107 1505 1 4 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.916 0.477 18107 1506 1 4 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.369 -0.157 18107 1507 1 4 . 1 1 34 34 ALA H H 51 7.614 7.614 8.364 -0.750 18107 1508 1 4 . 1 1 35 35 ARG N N 52 120.311 120.311 119.323 0.988 18107 1509 1 4 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.125 1.766 18107 1510 1 4 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.238 0.812 18107 1511 1 4 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.504 -0.093 18107 1512 1 4 . 1 1 35 35 ARG H H 52 7.883 7.883 7.796 0.087 18107 1513 1 4 . 1 1 36 36 LEU N N 53 119.541 119.541 119.607 -0.066 18107 1514 1 4 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.189 -0.243 18107 1515 1 4 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.439 0.050 18107 1516 1 4 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.184 1.258 18107 1517 1 4 . 1 1 36 36 LEU H H 53 8.553 8.553 8.619 -0.066 18107 1518 1 4 . 1 1 37 37 LEU N N 54 117.789 117.789 120.130 -2.341 18107 1519 1 4 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.884 0.181 18107 1520 1 4 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.003 0.639 18107 1521 1 4 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.342 -0.023 18107 1522 1 4 . 1 1 37 37 LEU H H 54 8.341 8.341 8.303 0.038 18107 1523 1 4 . 1 1 38 38 ARG N N 55 121.176 121.176 119.046 2.130 18107 1524 1 4 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.028 0.040 18107 1525 1 4 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.906 1.419 18107 1526 1 4 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.876 0.194 18107 1527 1 4 . 1 1 38 38 ARG H H 55 7.864 7.864 7.805 0.059 18107 1528 1 4 . 1 1 39 39 GLU N N 56 119.256 119.256 120.479 -1.223 18107 1529 1 4 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.149 -0.089 18107 1530 1 4 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.767 0.127 18107 1531 1 4 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.609 0.292 18107 1532 1 4 . 1 1 39 39 GLU H H 56 8.390 8.390 7.693 0.697 18107 1533 1 4 . 1 1 40 40 LEU N N 57 120.312 120.312 117.254 3.058 18107 1534 1 4 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.400 -0.272 18107 1535 1 4 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.874 0.747 18107 1536 1 4 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.357 0.872 18107 1537 1 4 . 1 1 40 40 LEU H H 57 8.802 8.802 8.153 0.649 18107 1538 1 4 . 1 1 41 41 THR N N 58 117.791 117.791 117.560 0.231 18107 1539 1 4 . 1 1 41 41 THR HA H 58 4.341 4.341 4.118 0.223 18107 1540 1 4 . 1 1 41 41 THR CA C 58 67.542 67.542 67.209 0.333 18107 1541 1 4 . 1 1 41 41 THR CB C 58 69.157 69.157 68.709 0.448 18107 1542 1 4 . 1 1 41 41 THR H H 58 8.182 8.182 8.014 0.168 18107 1543 1 4 . 1 1 42 42 VAL N N 59 123.554 123.554 120.737 2.817 18107 1544 1 4 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.601 0.122 18107 1545 1 4 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.337 1.518 18107 1546 1 4 . 1 1 42 42 VAL H H 59 7.978 7.978 8.247 -0.269 18107 1547 1 4 . 1 1 43 43 SER N N 60 116.859 116.859 115.305 1.554 18107 1548 1 4 . 1 1 43 43 SER HA H 60 4.155 4.155 2.018 2.137 18107 1549 1 4 . 1 1 43 43 SER CA C 60 63.412 63.412 61.035 2.377 18107 1550 1 4 . 1 1 43 43 SER H H 60 7.715 7.715 7.670 0.045 18107 1551 1 4 . 1 1 44 44 GLU N N 61 124.072 124.072 121.237 2.835 18107 1552 1 4 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.733 -0.107 18107 1553 1 4 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.080 1.422 18107 1554 1 4 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.516 0.278 18107 1555 1 4 . 1 1 44 44 GLU H H 61 8.517 8.517 8.219 0.298 18107 1556 1 4 . 1 1 45 45 ALA N N 62 120.467 120.467 122.064 -1.597 18107 1557 1 4 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.093 0.056 18107 1558 1 4 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.019 0.207 18107 1559 1 4 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.246 -0.401 18107 1560 1 4 . 1 1 45 45 ALA H H 62 7.853 7.853 7.568 0.285 18107 1561 1 4 . 1 1 46 46 PHE N N 63 119.936 119.936 116.106 3.830 18107 1562 1 4 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.285 -0.020 18107 1563 1 4 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.400 3.136 18107 1564 1 4 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.596 1.596 18107 1565 1 4 . 1 1 46 46 PHE H H 63 7.946 7.946 6.992 0.954 18107 1566 1 4 . 1 1 47 47 ILE N N 64 122.630 122.630 121.092 1.538 18107 1567 1 4 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.710 -0.090 18107 1568 1 4 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.878 2.480 18107 1569 1 4 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.184 1.197 18107 1570 1 4 . 1 1 47 47 ILE H H 64 8.595 8.595 8.266 0.329 18107 1571 1 4 . 1 1 48 48 GLU N N 65 120.257 120.257 119.772 0.485 18107 1572 1 4 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.052 0.537 18107 1573 1 4 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.346 0.010 18107 1574 1 4 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.730 0.871 18107 1575 1 4 . 1 1 48 48 GLU H H 65 9.078 9.078 8.336 0.742 18107 1576 1 4 . 1 1 49 49 GLY N N 66 108.368 108.368 107.907 0.461 18107 1577 1 4 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.611 0.541 18107 1578 1 4 . 1 1 49 49 GLY H H 66 8.379 8.379 8.189 0.190 18107 1579 1 4 . 1 1 50 50 SER N N 67 119.358 119.358 117.604 1.754 18107 1580 1 4 . 1 1 50 50 SER HA H 67 3.988 3.988 4.104 -0.116 18107 1581 1 4 . 1 1 50 50 SER CA C 67 62.501 62.501 61.111 1.390 18107 1582 1 4 . 1 1 50 50 SER CB C 67 63.441 63.441 62.994 0.447 18107 1583 1 4 . 1 1 50 50 SER H H 67 7.694 7.694 8.040 -0.346 18107 1584 1 4 . 1 1 51 51 ARG N N 68 121.212 121.212 120.905 0.307 18107 1585 1 4 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.149 -0.241 18107 1586 1 4 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.741 1.300 18107 1587 1 4 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.122 0.635 18107 1588 1 4 . 1 1 51 51 ARG H H 68 8.684 8.684 7.850 0.834 18107 1589 1 4 . 1 1 52 52 GLY N N 69 124.556 124.556 106.563 17.993 18107 1590 1 4 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.828 0.435 18107 1591 1 4 . 1 1 52 52 GLY H H 69 8.068 8.068 7.986 0.082 18107 1592 1 4 . 1 1 53 53 TYR N N 70 123.123 123.123 122.811 0.312 18107 1593 1 4 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.165 -0.096 18107 1594 1 4 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.270 -0.450 18107 1595 1 4 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.465 -0.718 18107 1596 1 4 . 1 1 53 53 TYR H H 70 7.337 7.337 7.730 -0.393 18107 1597 1 4 . 1 1 54 54 PHE N N 71 117.809 117.809 118.343 -0.534 18107 1598 1 4 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.045 -0.378 18107 1599 1 4 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.021 0.468 18107 1600 1 4 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.785 0.964 18107 1601 1 4 . 1 1 54 54 PHE H H 71 7.965 7.965 7.284 0.681 18107 1602 1 4 . 1 1 55 55 GLN N N 72 115.519 115.519 118.525 -3.006 18107 1603 1 4 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.095 -0.237 18107 1604 1 4 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.326 0.282 18107 1605 1 4 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.628 0.368 18107 1606 1 4 . 1 1 55 55 GLN H H 72 8.522 8.522 7.820 0.702 18107 1607 1 4 . 1 1 56 56 ARG N N 73 118.947 118.947 117.740 1.207 18107 1608 1 4 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.123 -0.251 18107 1609 1 4 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.242 2.679 18107 1610 1 4 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.395 0.691 18107 1611 1 4 . 1 1 56 56 ARG H H 73 7.677 7.677 7.704 -0.027 18107 1612 1 4 . 1 1 57 57 GLU N N 74 121.204 121.204 121.828 -0.624 18107 1613 1 4 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.981 -0.299 18107 1614 1 4 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.041 -0.107 18107 1615 1 4 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.906 0.787 18107 1616 1 4 . 1 1 57 57 GLU H H 74 7.897 7.897 8.237 -0.340 18107 1617 1 4 . 1 1 58 58 LEU N N 75 115.348 115.348 118.828 -3.480 18107 1618 1 4 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.166 -0.106 18107 1619 1 4 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.401 -0.507 18107 1620 1 4 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.221 0.109 18107 1621 1 4 . 1 1 58 58 LEU H H 75 7.746 7.746 7.656 0.090 18107 1622 1 4 . 1 1 59 59 LYS N N 76 117.429 117.429 116.548 0.881 18107 1623 1 4 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.306 -0.106 18107 1624 1 4 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.846 -0.238 18107 1625 1 4 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.164 0.719 18107 1626 1 4 . 1 1 59 59 LYS H H 76 7.233 7.233 7.758 -0.525 18107 1627 1 4 . 1 1 60 60 ARG N N 77 120.555 120.555 119.122 1.433 18107 1628 1 4 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.069 0.057 18107 1629 1 4 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.526 -0.827 18107 1630 1 4 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.419 1.379 18107 1631 1 4 . 1 1 60 60 ARG H H 77 7.701 7.701 7.824 -0.123 18107 1632 1 4 . 1 1 61 61 THR N N 78 111.768 111.768 107.591 4.177 18107 1633 1 4 . 1 1 61 61 THR HA H 78 4.414 4.414 4.105 0.309 18107 1634 1 4 . 1 1 61 61 THR CA C 78 62.557 62.557 64.364 -1.807 18107 1635 1 4 . 1 1 61 61 THR CB C 78 69.221 69.221 67.645 1.576 18107 1636 1 4 . 1 1 61 61 THR H H 78 8.638 8.638 8.200 0.438 18107 1637 1 4 . 1 1 62 62 ASP N N 79 120.616 120.616 120.122 0.494 18107 1638 1 4 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.876 -0.244 18107 1639 1 4 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.220 -1.258 18107 1640 1 4 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.401 -1.155 18107 1641 1 4 . 1 1 62 62 ASP H H 79 8.465 8.465 8.489 -0.024 18107 1642 1 4 . 1 1 63 63 LEU N N 80 120.063 120.063 117.163 2.900 18107 1643 1 4 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.805 -0.560 18107 1644 1 4 . 1 1 63 63 LEU CA C 80 55.212 55.212 54.449 0.763 18107 1645 1 4 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.333 -1.538 18107 1646 1 4 . 1 1 63 63 LEU H H 80 7.157 7.157 7.580 -0.423 18107 1647 1 4 . 1 1 64 64 ASP N N 81 125.396 125.396 122.275 3.121 18107 1648 1 4 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.874 -0.305 18107 1649 1 4 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.592 1.385 18107 1650 1 4 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.834 -1.034 18107 1651 1 4 . 1 1 64 64 ASP H H 81 8.926 8.926 8.328 0.598 18107 1652 1 4 . 1 1 65 65 LEU N N 82 122.508 122.508 121.785 0.723 18107 1653 1 4 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.233 -0.395 18107 1654 1 4 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.489 1.333 18107 1655 1 4 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.165 0.030 18107 1656 1 4 . 1 1 65 65 LEU H H 82 8.281 8.281 8.293 -0.012 18107 1657 1 4 . 1 1 66 66 LEU N N 83 119.413 119.413 120.743 -1.330 18107 1658 1 4 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.015 0.057 18107 1659 1 4 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.116 -0.088 18107 1660 1 4 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.312 1.039 18107 1661 1 4 . 1 1 66 66 LEU H H 83 8.149 8.149 8.002 0.147 18107 1662 1 4 . 1 1 67 67 GLU N N 84 119.941 119.941 118.289 1.652 18107 1663 1 4 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.764 0.082 18107 1664 1 4 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.389 -0.866 18107 1665 1 4 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.351 0.861 18107 1666 1 4 . 1 1 67 67 GLU H H 84 7.725 7.725 8.528 -0.803 18107 1667 1 4 . 1 1 68 68 LYS N N 85 119.400 119.400 119.642 -0.242 18107 1668 1 4 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.921 -0.120 18107 1669 1 4 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.343 1.476 18107 1670 1 4 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.324 0.591 18107 1671 1 4 . 1 1 68 68 LYS H H 85 8.117 8.117 8.310 -0.193 18107 1672 1 4 . 1 1 69 69 PHE N N 86 117.969 117.969 119.249 -1.280 18107 1673 1 4 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.085 0.204 18107 1674 1 4 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.381 -0.512 18107 1675 1 4 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.543 0.212 18107 1676 1 4 . 1 1 69 69 PHE H H 86 7.975 7.975 8.195 -0.220 18107 1677 1 4 . 1 1 70 70 ASN N N 87 118.904 118.904 118.273 0.631 18107 1678 1 4 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.349 0.012 18107 1679 1 4 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.513 -0.244 18107 1680 1 4 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.637 -0.539 18107 1681 1 4 . 1 1 70 70 ASN H H 87 8.259 8.259 7.312 0.947 18107 1682 1 4 . 1 1 71 71 PHE N N 88 121.068 121.068 118.539 2.529 18107 1683 1 4 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.296 0.970 18107 1684 1 4 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.854 0.933 18107 1685 1 4 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.285 0.744 18107 1686 1 4 . 1 1 71 71 PHE H H 88 8.618 8.618 7.309 1.309 18107 1687 1 4 . 1 1 72 72 GLU N N 89 120.500 120.500 119.430 1.070 18107 1688 1 4 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.938 -0.085 18107 1689 1 4 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.460 1.037 18107 1690 1 4 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.066 0.445 18107 1691 1 4 . 1 1 72 72 GLU H H 89 8.709 8.709 8.699 0.010 18107 1692 1 4 . 1 1 73 73 ALA N N 90 123.117 123.117 122.018 1.099 18107 1693 1 4 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.098 -0.060 18107 1694 1 4 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.807 0.194 18107 1695 1 4 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.085 -0.137 18107 1696 1 4 . 1 1 73 73 ALA H H 90 8.158 8.158 7.965 0.193 18107 1697 1 4 . 1 1 74 74 ALA N N 91 122.919 122.919 121.237 1.682 18107 1698 1 4 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.186 -0.235 18107 1699 1 4 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.599 0.680 18107 1700 1 4 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.342 -0.676 18107 1701 1 4 . 1 1 74 74 ALA H H 91 7.841 7.841 8.105 -0.264 18107 1702 1 4 . 1 1 75 75 LEU N N 92 119.956 119.956 119.745 0.211 18107 1703 1 4 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.118 -0.071 18107 1704 1 4 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.187 0.272 18107 1705 1 4 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.837 0.323 18107 1706 1 4 . 1 1 75 75 LEU H H 92 8.091 8.091 8.384 -0.293 18107 1707 1 4 . 1 1 76 76 ALA N N 93 120.763 120.763 120.855 -0.092 18107 1708 1 4 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.121 0.009 18107 1709 1 4 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.314 0.090 18107 1710 1 4 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.163 -0.293 18107 1711 1 4 . 1 1 76 76 ALA H H 93 7.774 7.774 7.927 -0.153 18107 1712 1 4 . 1 1 77 77 THR N N 94 117.510 117.510 116.727 0.783 18107 1713 1 4 . 1 1 77 77 THR HA H 94 4.234 4.234 4.046 0.188 18107 1714 1 4 . 1 1 77 77 THR CA C 94 67.364 67.364 68.006 -0.642 18107 1715 1 4 . 1 1 77 77 THR CB C 94 68.779 68.779 68.726 0.053 18107 1716 1 4 . 1 1 77 77 THR H H 94 8.188 8.188 7.835 0.353 18107 1717 1 4 . 1 1 78 78 GLY N N 95 110.009 110.009 109.632 0.377 18107 1718 1 4 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.615 1.535 18107 1719 1 4 . 1 1 78 78 GLY H H 95 8.547 8.547 8.825 -0.278 18107 1720 1 4 . 1 1 79 79 ASP N N 96 121.634 121.634 122.613 -0.979 18107 1721 1 4 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.441 -0.173 18107 1722 1 4 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.954 0.982 18107 1723 1 4 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.806 -0.166 18107 1724 1 4 . 1 1 79 79 ASP H H 96 8.548 8.548 8.121 0.427 18107 1725 1 4 . 1 1 80 80 LEU N N 97 122.599 122.599 119.658 2.941 18107 1726 1 4 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.052 -0.044 18107 1727 1 4 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.670 0.771 18107 1728 1 4 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.246 -0.317 18107 1729 1 4 . 1 1 80 80 LEU H H 97 7.618 7.618 7.623 -0.005 18107 1730 1 4 . 1 1 81 81 LEU N N 98 119.913 119.913 117.874 2.039 18107 1731 1 4 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.138 -0.107 18107 1732 1 4 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.067 -0.259 18107 1733 1 4 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.280 1.081 18107 1734 1 4 . 1 1 81 81 LEU H H 98 8.224 8.224 7.907 0.317 18107 1735 1 4 . 1 1 82 82 LEU N N 99 118.616 118.616 120.602 -1.986 18107 1736 1 4 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.852 0.123 18107 1737 1 4 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.911 0.158 18107 1738 1 4 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.609 0.556 18107 1739 1 4 . 1 1 82 82 LEU H H 99 8.359 8.359 8.574 -0.215 18107 1740 1 4 . 1 1 83 83 LYS N N 100 118.988 118.988 118.976 0.012 18107 1741 1 4 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.943 -0.059 18107 1742 1 4 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.105 0.162 18107 1743 1 4 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.153 0.018 18107 1744 1 4 . 1 1 83 83 LYS H H 100 7.566 7.566 7.763 -0.197 18107 1745 1 4 . 1 1 84 84 ASP N N 101 121.591 121.591 120.921 0.670 18107 1746 1 4 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.495 -0.098 18107 1747 1 4 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.925 0.771 18107 1748 1 4 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.878 -0.473 18107 1749 1 4 . 1 1 84 84 ASP H H 101 7.743 7.743 7.866 -0.123 18107 1750 1 4 . 1 1 85 85 LEU N N 102 123.215 123.215 120.178 3.037 18107 1751 1 4 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.902 -0.052 18107 1752 1 4 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.419 1.422 18107 1753 1 4 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.745 0.827 18107 1754 1 4 . 1 1 85 85 LEU H H 102 8.760 8.760 8.382 0.378 18107 1755 1 4 . 1 1 86 86 LYS N N 103 119.648 119.648 118.395 1.253 18107 1756 1 4 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.030 0.038 18107 1757 1 4 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.870 -0.077 18107 1758 1 4 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.295 -0.163 18107 1759 1 4 . 1 1 86 86 LYS H H 103 8.883 8.883 7.846 1.037 18107 1760 1 4 . 1 1 87 87 ALA N N 104 122.844 122.844 121.707 1.137 18107 1761 1 4 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.195 -0.035 18107 1762 1 4 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.683 0.617 18107 1763 1 4 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.194 -0.174 18107 1764 1 4 . 1 1 87 87 ALA H H 104 7.721 7.721 7.697 0.024 18107 1765 1 4 . 1 1 88 88 LEU N N 105 120.380 120.380 118.921 1.459 18107 1766 1 4 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.000 -0.008 18107 1767 1 4 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.235 -0.049 18107 1768 1 4 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.053 1.751 18107 1769 1 4 . 1 1 88 88 LEU H H 105 7.762 7.762 8.127 -0.365 18107 1770 1 4 . 1 1 89 89 GLN N N 106 118.781 118.781 119.577 -0.796 18107 1771 1 4 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.911 -0.326 18107 1772 1 4 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.441 0.536 18107 1773 1 4 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.537 1.090 18107 1774 1 4 . 1 1 89 89 GLN H H 106 8.658 8.658 7.968 0.690 18107 1775 1 4 . 1 1 90 90 LYS N N 107 118.977 118.977 118.970 0.007 18107 1776 1 4 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.088 -0.140 18107 1777 1 4 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.390 1.105 18107 1778 1 4 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.799 0.624 18107 1779 1 4 . 1 1 90 90 LYS H H 107 7.786 7.786 7.686 0.100 18107 1780 1 4 . 1 1 91 91 ARG N N 108 117.470 117.470 120.003 -2.533 18107 1781 1 4 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.069 -0.066 18107 1782 1 4 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.860 -0.278 18107 1783 1 4 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.325 1.303 18107 1784 1 4 . 1 1 91 91 ARG H H 108 7.469 7.469 7.605 -0.136 18107 1785 1 4 . 1 1 92 92 VAL N N 109 117.865 117.865 120.298 -2.433 18107 1786 1 4 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.733 -0.251 18107 1787 1 4 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.816 0.796 18107 1788 1 4 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.724 0.486 18107 1789 1 4 . 1 1 92 92 VAL H H 109 8.084 8.084 8.531 -0.447 18107 1790 1 4 . 1 1 93 93 GLN N N 110 119.617 119.617 119.424 0.193 18107 1791 1 4 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.100 -0.224 18107 1792 1 4 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.519 0.715 18107 1793 1 4 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.597 0.427 18107 1794 1 4 . 1 1 93 93 GLN H H 110 8.512 8.512 8.286 0.226 18107 1795 1 4 . 1 1 94 94 ASP N N 111 117.490 117.490 118.343 -0.853 18107 1796 1 4 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.654 -0.163 18107 1797 1 4 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.720 -0.439 18107 1798 1 4 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.187 -1.352 18107 1799 1 4 . 1 1 94 94 ASP H H 111 8.194 8.194 7.913 0.281 18107 1800 1 4 . 1 1 95 95 SER N N 112 116.625 116.625 111.551 5.074 18107 1801 1 4 . 1 1 95 95 SER HA H 112 4.288 4.288 4.115 0.173 18107 1802 1 4 . 1 1 95 95 SER CA C 112 59.770 59.770 60.681 -0.910 18107 1803 1 4 . 1 1 95 95 SER CB C 112 63.990 63.990 62.085 1.905 18107 1804 1 4 . 1 1 95 95 SER H H 112 7.479 7.479 8.545 -1.066 18107 1805 1 5 . 1 1 2 2 THR HA H 19 4.222 4.222 4.252 -0.030 18107 1806 1 5 . 1 1 2 2 THR CA C 19 63.013 63.013 64.426 -1.413 18107 1807 1 5 . 1 1 2 2 THR CB C 19 69.504 69.504 69.011 0.493 18107 1808 1 5 . 1 1 3 3 ALA N N 20 125.065 125.065 122.880 2.185 18107 1809 1 5 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.330 -0.180 18107 1810 1 5 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.254 -0.298 18107 1811 1 5 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.741 1.256 18107 1812 1 5 . 1 1 3 3 ALA H H 20 8.404 8.404 8.303 0.101 18107 1813 1 5 . 1 1 4 4 THR N N 21 109.840 109.840 111.868 -2.028 18107 1814 1 5 . 1 1 4 4 THR HA H 21 4.235 4.235 4.044 0.191 18107 1815 1 5 . 1 1 4 4 THR CA C 21 64.668 64.668 65.448 -0.780 18107 1816 1 5 . 1 1 4 4 THR CB C 21 68.923 68.923 67.897 1.026 18107 1817 1 5 . 1 1 4 4 THR H H 21 7.910 7.910 8.078 -0.168 18107 1818 1 5 . 1 1 5 5 GLN N N 22 122.037 122.037 122.150 -0.113 18107 1819 1 5 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.109 -0.058 18107 1820 1 5 . 1 1 5 5 GLN CA C 22 58.164 58.164 59.395 -1.231 18107 1821 1 5 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.551 0.006 18107 1822 1 5 . 1 1 5 5 GLN H H 22 7.953 7.953 7.743 0.210 18107 1823 1 5 . 1 1 6 6 ARG N N 23 118.944 118.944 117.954 0.990 18107 1824 1 5 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.209 -0.103 18107 1825 1 5 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.731 -0.639 18107 1826 1 5 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.741 -0.594 18107 1827 1 5 . 1 1 6 6 ARG H H 23 7.922 7.922 7.686 0.236 18107 1828 1 5 . 1 1 7 7 PHE N N 24 116.543 116.543 114.677 1.866 18107 1829 1 5 . 1 1 7 7 PHE H H 24 8.276 8.276 7.853 0.423 18107 1830 1 5 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.770 -0.275 18107 1831 1 5 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.637 2.383 18107 1832 1 5 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.594 -1.542 18107 1833 1 5 . 1 1 9 9 GLU N N 26 118.298 118.298 119.647 -1.349 18107 1834 1 5 . 1 1 9 9 GLU HA H 26 3.990 3.990 3.877 0.113 18107 1835 1 5 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.258 -0.880 18107 1836 1 5 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.377 -0.065 18107 1837 1 5 . 1 1 9 9 GLU H H 26 8.148 8.148 7.777 0.371 18107 1838 1 5 . 1 1 10 10 ILE N N 27 121.761 121.761 118.183 3.578 18107 1839 1 5 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.713 0.251 18107 1840 1 5 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.236 -1.772 18107 1841 1 5 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.382 -0.132 18107 1842 1 5 . 1 1 10 10 ILE H H 27 8.165 8.165 8.118 0.047 18107 1843 1 5 . 1 1 11 11 GLU N N 28 122.042 122.042 120.892 1.150 18107 1844 1 5 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.075 -0.238 18107 1845 1 5 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.073 0.555 18107 1846 1 5 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.295 0.711 18107 1847 1 5 . 1 1 11 11 GLU H H 28 8.541 8.541 8.382 0.159 18107 1848 1 5 . 1 1 12 12 LYS N N 29 117.967 117.967 119.016 -1.049 18107 1849 1 5 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.116 -0.174 18107 1850 1 5 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.404 0.337 18107 1851 1 5 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.203 0.249 18107 1852 1 5 . 1 1 12 12 LYS H H 29 7.517 7.517 8.015 -0.498 18107 1853 1 5 . 1 1 13 13 PHE N N 30 122.144 122.144 120.580 1.564 18107 1854 1 5 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.274 0.155 18107 1855 1 5 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.144 -0.357 18107 1856 1 5 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.724 0.487 18107 1857 1 5 . 1 1 13 13 PHE H H 30 8.066 8.066 7.984 0.082 18107 1858 1 5 . 1 1 14 14 LEU N N 31 119.404 119.404 119.698 -0.294 18107 1859 1 5 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.036 -0.302 18107 1860 1 5 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.850 -1.086 18107 1861 1 5 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.499 -0.063 18107 1862 1 5 . 1 1 14 14 LEU H H 31 8.739 8.739 8.319 0.420 18107 1863 1 5 . 1 1 15 15 LEU N N 32 121.073 121.073 118.109 2.964 18107 1864 1 5 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.191 -0.231 18107 1865 1 5 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.198 0.134 18107 1866 1 5 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.288 0.673 18107 1867 1 5 . 1 1 15 15 LEU H H 32 7.736 7.736 7.777 -0.041 18107 1868 1 5 . 1 1 16 16 HIS N N 33 118.629 118.629 119.074 -0.445 18107 1869 1 5 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.369 -0.023 18107 1870 1 5 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.158 -0.513 18107 1871 1 5 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.401 -0.100 18107 1872 1 5 . 1 1 16 16 HIS H H 33 7.681 7.681 8.282 -0.601 18107 1873 1 5 . 1 1 17 17 ILE N N 34 118.602 118.602 120.087 -1.485 18107 1874 1 5 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.788 0.017 18107 1875 1 5 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.998 -1.491 18107 1876 1 5 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.211 -0.766 18107 1877 1 5 . 1 1 17 17 ILE H H 34 8.502 8.502 8.671 -0.169 18107 1878 1 5 . 1 1 18 18 THR N N 35 117.776 117.776 116.169 1.607 18107 1879 1 5 . 1 1 18 18 THR HA H 35 4.116 4.116 3.898 0.218 18107 1880 1 5 . 1 1 18 18 THR CA C 35 68.694 68.694 67.246 1.448 18107 1881 1 5 . 1 1 18 18 THR CB C 35 68.694 68.694 68.462 0.232 18107 1882 1 5 . 1 1 18 18 THR H H 35 7.726 7.726 7.828 -0.102 18107 1883 1 5 . 1 1 19 19 HIS N N 36 118.130 118.130 120.719 -2.589 18107 1884 1 5 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.248 0.153 18107 1885 1 5 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.105 -0.319 18107 1886 1 5 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.502 -0.432 18107 1887 1 5 . 1 1 19 19 HIS H H 36 7.177 7.177 7.843 -0.666 18107 1888 1 5 . 1 1 20 20 GLU N N 37 119.301 119.301 117.939 1.362 18107 1889 1 5 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.053 -0.003 18107 1890 1 5 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.577 -0.020 18107 1891 1 5 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.366 0.690 18107 1892 1 5 . 1 1 20 20 GLU H H 37 7.335 7.335 7.879 -0.544 18107 1893 1 5 . 1 1 21 21 VAL N N 38 122.744 122.744 119.809 2.935 18107 1894 1 5 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.645 -0.223 18107 1895 1 5 . 1 1 21 21 VAL CA C 38 67.049 67.049 67.150 -0.101 18107 1896 1 5 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.654 -0.281 18107 1897 1 5 . 1 1 21 21 VAL H H 38 8.385 8.385 7.765 0.620 18107 1898 1 5 . 1 1 22 22 ASP N N 39 120.471 120.471 119.471 1.000 18107 1899 1 5 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.363 -0.216 18107 1900 1 5 . 1 1 22 22 ASP CA C 39 57.726 57.726 58.106 -0.380 18107 1901 1 5 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.857 -0.470 18107 1902 1 5 . 1 1 22 22 ASP H H 39 8.054 8.054 7.762 0.292 18107 1903 1 5 . 1 1 23 23 ASP N N 40 118.541 118.541 119.951 -1.410 18107 1904 1 5 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.431 -0.011 18107 1905 1 5 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.526 -0.039 18107 1906 1 5 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.235 -0.061 18107 1907 1 5 . 1 1 23 23 ASP H H 40 7.587 7.587 7.871 -0.284 18107 1908 1 5 . 1 1 24 24 LEU N N 41 123.241 123.241 117.043 6.198 18107 1909 1 5 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.204 -0.036 18107 1910 1 5 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.038 -0.331 18107 1911 1 5 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.100 0.809 18107 1912 1 5 . 1 1 24 24 LEU H H 41 8.032 8.032 8.334 -0.302 18107 1913 1 5 . 1 1 25 25 GLU N N 42 117.508 117.508 119.642 -2.134 18107 1914 1 5 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.042 -0.122 18107 1915 1 5 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.356 -0.274 18107 1916 1 5 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.818 0.045 18107 1917 1 5 . 1 1 25 25 GLU H H 42 8.010 8.010 8.458 -0.448 18107 1918 1 5 . 1 1 26 26 LYS N N 43 117.032 117.032 114.968 2.064 18107 1919 1 5 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.372 -0.129 18107 1920 1 5 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.483 0.768 18107 1921 1 5 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.645 0.862 18107 1922 1 5 . 1 1 26 26 LYS H H 43 7.596 7.596 7.718 -0.122 18107 1923 1 5 . 1 1 27 27 THR N N 44 110.288 110.288 112.818 -2.530 18107 1924 1 5 . 1 1 27 27 THR HA H 44 4.271 4.271 4.459 -0.188 18107 1925 1 5 . 1 1 27 27 THR CA C 44 62.820 62.820 63.309 -0.488 18107 1926 1 5 . 1 1 27 27 THR CB C 44 70.733 70.733 70.524 0.209 18107 1927 1 5 . 1 1 27 27 THR H H 44 8.227 8.227 7.740 0.487 18107 1928 1 5 . 1 1 28 28 GLY N N 45 112.257 112.257 107.835 4.422 18107 1929 1 5 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.006 0.655 18107 1930 1 5 . 1 1 28 28 GLY H H 45 8.727 8.727 8.219 0.508 18107 1931 1 5 . 1 1 29 29 ASN N N 46 118.416 118.416 118.753 -0.337 18107 1932 1 5 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.407 0.062 18107 1933 1 5 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.819 0.478 18107 1934 1 5 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.133 1.977 18107 1935 1 5 . 1 1 29 29 ASN H H 46 7.716 7.716 8.590 -0.874 18107 1936 1 5 . 1 1 30 30 LYS N N 47 126.481 126.481 118.272 8.209 18107 1937 1 5 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.161 -0.173 18107 1938 1 5 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.434 0.756 18107 1939 1 5 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.605 -0.092 18107 1940 1 5 . 1 1 30 30 LYS H H 47 8.770 8.770 8.447 0.323 18107 1941 1 5 . 1 1 31 31 ASP N N 48 121.710 121.710 114.978 6.732 18107 1942 1 5 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.842 -0.375 18107 1943 1 5 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.433 3.202 18107 1944 1 5 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.447 -1.003 18107 1945 1 5 . 1 1 31 31 ASP H H 48 8.229 8.229 8.085 0.144 18107 1946 1 5 . 1 1 32 32 GLU N N 49 121.695 121.695 121.936 -0.241 18107 1947 1 5 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.132 0.225 18107 1948 1 5 . 1 1 32 32 GLU H H 49 8.048 8.048 8.718 -0.670 18107 1949 1 5 . 1 1 33 33 LYS N N 50 120.099 120.099 120.420 -0.321 18107 1950 1 5 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.965 -0.314 18107 1951 1 5 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.489 1.348 18107 1952 1 5 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.854 1.113 18107 1953 1 5 . 1 1 33 33 LYS H H 50 7.975 7.975 8.066 -0.091 18107 1954 1 5 . 1 1 34 34 ALA N N 51 118.238 118.238 120.367 -2.129 18107 1955 1 5 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.016 -0.027 18107 1956 1 5 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.179 0.214 18107 1957 1 5 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.233 -0.021 18107 1958 1 5 . 1 1 34 34 ALA H H 51 7.614 7.614 8.396 -0.782 18107 1959 1 5 . 1 1 35 35 ARG N N 52 120.311 120.311 119.437 0.874 18107 1960 1 5 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.108 1.783 18107 1961 1 5 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.044 1.006 18107 1962 1 5 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.513 -0.102 18107 1963 1 5 . 1 1 35 35 ARG H H 52 7.883 7.883 7.805 0.078 18107 1964 1 5 . 1 1 36 36 LEU N N 53 119.541 119.541 119.714 -0.173 18107 1965 1 5 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.135 -0.189 18107 1966 1 5 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.151 0.337 18107 1967 1 5 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.237 1.205 18107 1968 1 5 . 1 1 36 36 LEU H H 53 8.553 8.553 8.459 0.094 18107 1969 1 5 . 1 1 37 37 LEU N N 54 117.789 117.789 120.336 -2.547 18107 1970 1 5 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.900 0.165 18107 1971 1 5 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.989 0.653 18107 1972 1 5 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.347 -0.028 18107 1973 1 5 . 1 1 37 37 LEU H H 54 8.341 8.341 8.189 0.152 18107 1974 1 5 . 1 1 38 38 ARG N N 55 121.176 121.176 117.665 3.511 18107 1975 1 5 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.084 -0.016 18107 1976 1 5 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.409 1.916 18107 1977 1 5 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.458 0.612 18107 1978 1 5 . 1 1 38 38 ARG H H 55 7.864 7.864 7.822 0.042 18107 1979 1 5 . 1 1 39 39 GLU N N 56 119.256 119.256 121.026 -1.770 18107 1980 1 5 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.126 -0.066 18107 1981 1 5 . 1 1 39 39 GLU CA C 56 59.894 59.894 60.218 -0.324 18107 1982 1 5 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.376 0.525 18107 1983 1 5 . 1 1 39 39 GLU H H 56 8.390 8.390 7.773 0.617 18107 1984 1 5 . 1 1 40 40 LEU N N 57 120.312 120.312 116.965 3.347 18107 1985 1 5 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.459 -0.331 18107 1986 1 5 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.673 0.948 18107 1987 1 5 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.079 1.150 18107 1988 1 5 . 1 1 40 40 LEU H H 57 8.802 8.802 8.214 0.588 18107 1989 1 5 . 1 1 41 41 THR N N 58 117.791 117.791 118.070 -0.279 18107 1990 1 5 . 1 1 41 41 THR HA H 58 4.341 4.341 3.915 0.426 18107 1991 1 5 . 1 1 41 41 THR CA C 58 67.542 67.542 66.576 0.966 18107 1992 1 5 . 1 1 41 41 THR CB C 58 69.157 69.157 68.651 0.506 18107 1993 1 5 . 1 1 41 41 THR H H 58 8.182 8.182 7.909 0.273 18107 1994 1 5 . 1 1 42 42 VAL N N 59 123.554 123.554 120.446 3.108 18107 1995 1 5 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.598 0.125 18107 1996 1 5 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.378 1.477 18107 1997 1 5 . 1 1 42 42 VAL H H 59 7.978 7.978 8.288 -0.310 18107 1998 1 5 . 1 1 43 43 SER N N 60 116.859 116.859 115.427 1.432 18107 1999 1 5 . 1 1 43 43 SER HA H 60 4.155 4.155 2.303 1.852 18107 2000 1 5 . 1 1 43 43 SER CA C 60 63.412 63.412 60.873 2.539 18107 2001 1 5 . 1 1 43 43 SER H H 60 7.715 7.715 7.714 0.001 18107 2002 1 5 . 1 1 44 44 GLU N N 61 124.072 124.072 121.124 2.948 18107 2003 1 5 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.829 -0.203 18107 2004 1 5 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.846 1.656 18107 2005 1 5 . 1 1 44 44 GLU CB C 61 29.794 29.794 28.972 0.822 18107 2006 1 5 . 1 1 44 44 GLU H H 61 8.517 8.517 8.375 0.142 18107 2007 1 5 . 1 1 45 45 ALA N N 62 120.467 120.467 122.926 -2.459 18107 2008 1 5 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.027 0.122 18107 2009 1 5 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.611 0.616 18107 2010 1 5 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.479 -0.634 18107 2011 1 5 . 1 1 45 45 ALA H H 62 7.853 7.853 7.417 0.436 18107 2012 1 5 . 1 1 46 46 PHE N N 63 119.936 119.936 115.855 4.081 18107 2013 1 5 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.353 -0.088 18107 2014 1 5 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.043 3.493 18107 2015 1 5 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.769 1.423 18107 2016 1 5 . 1 1 46 46 PHE H H 63 7.946 7.946 6.979 0.967 18107 2017 1 5 . 1 1 47 47 ILE N N 64 122.630 122.630 121.894 0.736 18107 2018 1 5 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.745 -0.125 18107 2019 1 5 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.405 1.953 18107 2020 1 5 . 1 1 47 47 ILE CB C 64 38.381 38.381 38.228 0.153 18107 2021 1 5 . 1 1 47 47 ILE H H 64 8.595 8.595 7.934 0.660 18107 2022 1 5 . 1 1 48 48 GLU N N 65 120.257 120.257 119.449 0.808 18107 2023 1 5 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.018 0.571 18107 2024 1 5 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.718 -0.362 18107 2025 1 5 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.383 0.218 18107 2026 1 5 . 1 1 48 48 GLU H H 65 9.078 9.078 8.360 0.718 18107 2027 1 5 . 1 1 49 49 GLY N N 66 108.368 108.368 107.215 1.153 18107 2028 1 5 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.822 0.331 18107 2029 1 5 . 1 1 49 49 GLY H H 66 8.379 8.379 7.933 0.446 18107 2030 1 5 . 1 1 50 50 SER N N 67 119.358 119.358 118.280 1.078 18107 2031 1 5 . 1 1 50 50 SER HA H 67 3.988 3.988 4.021 -0.033 18107 2032 1 5 . 1 1 50 50 SER CA C 67 62.501 62.501 61.673 0.828 18107 2033 1 5 . 1 1 50 50 SER CB C 67 63.441 63.441 62.691 0.750 18107 2034 1 5 . 1 1 50 50 SER H H 67 7.694 7.694 8.002 -0.308 18107 2035 1 5 . 1 1 51 51 ARG N N 68 121.212 121.212 121.158 0.054 18107 2036 1 5 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.181 -0.273 18107 2037 1 5 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.663 1.378 18107 2038 1 5 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.135 0.622 18107 2039 1 5 . 1 1 51 51 ARG H H 68 8.684 8.684 7.845 0.839 18107 2040 1 5 . 1 1 52 52 GLY N N 69 124.556 124.556 106.589 17.967 18107 2041 1 5 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.747 0.516 18107 2042 1 5 . 1 1 52 52 GLY H H 69 8.068 8.068 8.002 0.066 18107 2043 1 5 . 1 1 53 53 TYR N N 70 123.123 123.123 123.468 -0.345 18107 2044 1 5 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.120 -0.051 18107 2045 1 5 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.461 -0.641 18107 2046 1 5 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.495 -0.747 18107 2047 1 5 . 1 1 53 53 TYR H H 70 7.337 7.337 7.618 -0.281 18107 2048 1 5 . 1 1 54 54 PHE N N 71 117.809 117.809 118.053 -0.244 18107 2049 1 5 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.012 -0.345 18107 2050 1 5 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.349 0.140 18107 2051 1 5 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.769 0.980 18107 2052 1 5 . 1 1 54 54 PHE H H 71 7.965 7.965 7.561 0.404 18107 2053 1 5 . 1 1 55 55 GLN N N 72 115.519 115.519 118.571 -3.052 18107 2054 1 5 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.066 -0.208 18107 2055 1 5 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.101 0.507 18107 2056 1 5 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.509 0.487 18107 2057 1 5 . 1 1 55 55 GLN H H 72 8.522 8.522 7.892 0.630 18107 2058 1 5 . 1 1 56 56 ARG N N 73 118.947 118.947 118.554 0.393 18107 2059 1 5 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.070 -0.198 18107 2060 1 5 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.791 1.130 18107 2061 1 5 . 1 1 56 56 ARG CB C 73 30.086 30.086 30.024 0.062 18107 2062 1 5 . 1 1 56 56 ARG H H 73 7.677 7.677 7.769 -0.092 18107 2063 1 5 . 1 1 57 57 GLU N N 74 121.204 121.204 121.880 -0.676 18107 2064 1 5 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.913 -0.231 18107 2065 1 5 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.080 -0.146 18107 2066 1 5 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.995 0.698 18107 2067 1 5 . 1 1 57 57 GLU H H 74 7.897 7.897 8.203 -0.306 18107 2068 1 5 . 1 1 58 58 LEU N N 75 115.348 115.348 118.556 -3.208 18107 2069 1 5 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.150 -0.090 18107 2070 1 5 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.729 -0.835 18107 2071 1 5 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.168 0.162 18107 2072 1 5 . 1 1 58 58 LEU H H 75 7.746 7.746 7.720 0.026 18107 2073 1 5 . 1 1 59 59 LYS N N 76 117.429 117.429 116.404 1.025 18107 2074 1 5 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.266 -0.066 18107 2075 1 5 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.767 -0.159 18107 2076 1 5 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.434 0.448 18107 2077 1 5 . 1 1 59 59 LYS H H 76 7.233 7.233 7.718 -0.485 18107 2078 1 5 . 1 1 60 60 ARG N N 77 120.555 120.555 120.786 -0.231 18107 2079 1 5 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.069 0.057 18107 2080 1 5 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.733 -1.034 18107 2081 1 5 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.455 1.343 18107 2082 1 5 . 1 1 60 60 ARG H H 77 7.701 7.701 7.990 -0.289 18107 2083 1 5 . 1 1 61 61 THR N N 78 111.768 111.768 107.852 3.916 18107 2084 1 5 . 1 1 61 61 THR HA H 78 4.414 4.414 4.083 0.331 18107 2085 1 5 . 1 1 61 61 THR CA C 78 62.557 62.557 64.353 -1.796 18107 2086 1 5 . 1 1 61 61 THR CB C 78 69.221 69.221 67.708 1.513 18107 2087 1 5 . 1 1 61 61 THR H H 78 8.638 8.638 8.238 0.400 18107 2088 1 5 . 1 1 62 62 ASP N N 79 120.616 120.616 120.061 0.555 18107 2089 1 5 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.847 -0.215 18107 2090 1 5 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.335 -1.373 18107 2091 1 5 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.508 -1.262 18107 2092 1 5 . 1 1 62 62 ASP H H 79 8.465 8.465 8.466 -0.001 18107 2093 1 5 . 1 1 63 63 LEU N N 80 120.063 120.063 116.987 3.076 18107 2094 1 5 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.091 -0.846 18107 2095 1 5 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.718 1.494 18107 2096 1 5 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.989 -2.194 18107 2097 1 5 . 1 1 63 63 LEU H H 80 7.157 7.157 7.554 -0.397 18107 2098 1 5 . 1 1 64 64 ASP N N 81 125.396 125.396 121.970 3.426 18107 2099 1 5 . 1 1 64 64 ASP HA H 81 4.569 4.569 5.045 -0.476 18107 2100 1 5 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.141 0.836 18107 2101 1 5 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.128 -0.328 18107 2102 1 5 . 1 1 64 64 ASP H H 81 8.926 8.926 8.145 0.781 18107 2103 1 5 . 1 1 65 65 LEU N N 82 122.508 122.508 119.289 3.219 18107 2104 1 5 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.310 -0.472 18107 2105 1 5 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.983 0.837 18107 2106 1 5 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.901 0.294 18107 2107 1 5 . 1 1 65 65 LEU H H 82 8.281 8.281 8.203 0.078 18107 2108 1 5 . 1 1 66 66 LEU N N 83 119.413 119.413 120.864 -1.451 18107 2109 1 5 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.010 0.062 18107 2110 1 5 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.319 -0.291 18107 2111 1 5 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.382 0.969 18107 2112 1 5 . 1 1 66 66 LEU H H 83 8.149 8.149 8.177 -0.028 18107 2113 1 5 . 1 1 67 67 GLU N N 84 119.941 119.941 118.145 1.796 18107 2114 1 5 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.790 0.056 18107 2115 1 5 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.515 -0.992 18107 2116 1 5 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.158 1.054 18107 2117 1 5 . 1 1 67 67 GLU H H 84 7.725 7.725 8.487 -0.762 18107 2118 1 5 . 1 1 68 68 LYS N N 85 119.400 119.400 119.981 -0.581 18107 2119 1 5 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.839 -0.038 18107 2120 1 5 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.094 1.726 18107 2121 1 5 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.235 0.680 18107 2122 1 5 . 1 1 68 68 LYS H H 85 8.117 8.117 8.084 0.033 18107 2123 1 5 . 1 1 69 69 PHE N N 86 117.969 117.969 119.249 -1.280 18107 2124 1 5 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.122 0.167 18107 2125 1 5 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.411 -0.542 18107 2126 1 5 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.798 -0.043 18107 2127 1 5 . 1 1 69 69 PHE H H 86 7.975 7.975 8.045 -0.070 18107 2128 1 5 . 1 1 70 70 ASN N N 87 118.904 118.904 118.363 0.541 18107 2129 1 5 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.417 -0.056 18107 2130 1 5 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.636 -0.368 18107 2131 1 5 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.127 -0.029 18107 2132 1 5 . 1 1 70 70 ASN H H 87 8.259 8.259 7.357 0.902 18107 2133 1 5 . 1 1 71 71 PHE N N 88 121.068 121.068 118.276 2.792 18107 2134 1 5 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.311 0.955 18107 2135 1 5 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.545 1.242 18107 2136 1 5 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.191 0.839 18107 2137 1 5 . 1 1 71 71 PHE H H 88 8.618 8.618 7.390 1.228 18107 2138 1 5 . 1 1 72 72 GLU N N 89 120.500 120.500 119.364 1.136 18107 2139 1 5 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.884 -0.031 18107 2140 1 5 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.377 1.120 18107 2141 1 5 . 1 1 72 72 GLU CB C 89 29.511 29.511 28.991 0.519 18107 2142 1 5 . 1 1 72 72 GLU H H 89 8.709 8.709 8.628 0.081 18107 2143 1 5 . 1 1 73 73 ALA N N 90 123.117 123.117 121.977 1.140 18107 2144 1 5 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.012 0.026 18107 2145 1 5 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.762 0.239 18107 2146 1 5 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.090 -0.142 18107 2147 1 5 . 1 1 73 73 ALA H H 90 8.158 8.158 7.899 0.259 18107 2148 1 5 . 1 1 74 74 ALA N N 91 122.919 122.919 121.179 1.740 18107 2149 1 5 . 1 1 74 74 ALA HA H 91 3.951 3.951 3.536 0.415 18107 2150 1 5 . 1 1 74 74 ALA CA C 91 55.279 55.279 53.819 1.460 18107 2151 1 5 . 1 1 74 74 ALA CB C 91 17.666 17.666 17.927 -0.261 18107 2152 1 5 . 1 1 74 74 ALA H H 91 7.841 7.841 7.978 -0.137 18107 2153 1 5 . 1 1 75 75 LEU N N 92 119.956 119.956 119.474 0.482 18107 2154 1 5 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.035 0.012 18107 2155 1 5 . 1 1 75 75 LEU CA C 92 58.459 58.459 57.977 0.482 18107 2156 1 5 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.743 0.416 18107 2157 1 5 . 1 1 75 75 LEU H H 92 8.091 8.091 8.214 -0.123 18107 2158 1 5 . 1 1 76 76 ALA N N 93 120.763 120.763 120.807 -0.044 18107 2159 1 5 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.065 0.065 18107 2160 1 5 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.361 0.043 18107 2161 1 5 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.193 -0.323 18107 2162 1 5 . 1 1 76 76 ALA H H 93 7.774 7.774 7.740 0.034 18107 2163 1 5 . 1 1 77 77 THR N N 94 117.510 117.510 115.056 2.454 18107 2164 1 5 . 1 1 77 77 THR HA H 94 4.234 4.234 3.989 0.245 18107 2165 1 5 . 1 1 77 77 THR CA C 94 67.364 67.364 66.868 0.495 18107 2166 1 5 . 1 1 77 77 THR CB C 94 68.779 68.779 68.404 0.375 18107 2167 1 5 . 1 1 77 77 THR H H 94 8.188 8.188 7.568 0.620 18107 2168 1 5 . 1 1 78 78 GLY N N 95 110.009 110.009 110.181 -0.172 18107 2169 1 5 . 1 1 78 78 GLY CA C 95 48.150 48.150 47.257 0.893 18107 2170 1 5 . 1 1 78 78 GLY H H 95 8.547 8.547 8.723 -0.176 18107 2171 1 5 . 1 1 79 79 ASP N N 96 121.634 121.634 122.990 -1.356 18107 2172 1 5 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.529 -0.261 18107 2173 1 5 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.468 0.468 18107 2174 1 5 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.845 -0.205 18107 2175 1 5 . 1 1 79 79 ASP H H 96 8.548 8.548 8.151 0.397 18107 2176 1 5 . 1 1 80 80 LEU N N 97 122.599 122.599 119.692 2.907 18107 2177 1 5 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.104 -0.096 18107 2178 1 5 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.840 0.602 18107 2179 1 5 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.264 -0.335 18107 2180 1 5 . 1 1 80 80 LEU H H 97 7.618 7.618 7.733 -0.115 18107 2181 1 5 . 1 1 81 81 LEU N N 98 119.913 119.913 117.530 2.383 18107 2182 1 5 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.214 -0.183 18107 2183 1 5 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.208 -0.400 18107 2184 1 5 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.407 0.954 18107 2185 1 5 . 1 1 81 81 LEU H H 98 8.224 8.224 7.875 0.349 18107 2186 1 5 . 1 1 82 82 LEU N N 99 118.616 118.616 120.730 -2.114 18107 2187 1 5 . 1 1 82 82 LEU HA H 99 3.975 3.975 4.061 -0.086 18107 2188 1 5 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.997 0.072 18107 2189 1 5 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.084 1.081 18107 2190 1 5 . 1 1 82 82 LEU H H 99 8.359 8.359 8.851 -0.492 18107 2191 1 5 . 1 1 83 83 LYS N N 100 118.988 118.988 119.443 -0.455 18107 2192 1 5 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.034 -0.150 18107 2193 1 5 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.856 0.411 18107 2194 1 5 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.168 0.003 18107 2195 1 5 . 1 1 83 83 LYS H H 100 7.566 7.566 7.919 -0.353 18107 2196 1 5 . 1 1 84 84 ASP N N 101 121.591 121.591 120.778 0.813 18107 2197 1 5 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.474 -0.077 18107 2198 1 5 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.252 0.444 18107 2199 1 5 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.289 -0.884 18107 2200 1 5 . 1 1 84 84 ASP H H 101 7.743 7.743 8.007 -0.264 18107 2201 1 5 . 1 1 85 85 LEU N N 102 123.215 123.215 121.258 1.957 18107 2202 1 5 . 1 1 85 85 LEU HA H 102 3.850 3.850 4.010 -0.160 18107 2203 1 5 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.351 1.490 18107 2204 1 5 . 1 1 85 85 LEU CB C 102 42.572 42.572 42.043 0.529 18107 2205 1 5 . 1 1 85 85 LEU H H 102 8.760 8.760 8.323 0.437 18107 2206 1 5 . 1 1 86 86 LYS N N 103 119.648 119.648 118.557 1.091 18107 2207 1 5 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.986 0.082 18107 2208 1 5 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.521 -0.729 18107 2209 1 5 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.767 -0.635 18107 2210 1 5 . 1 1 86 86 LYS H H 103 8.883 8.883 7.886 0.997 18107 2211 1 5 . 1 1 87 87 ALA N N 104 122.844 122.844 122.400 0.444 18107 2212 1 5 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.186 -0.026 18107 2213 1 5 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.735 0.565 18107 2214 1 5 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.431 -0.411 18107 2215 1 5 . 1 1 87 87 ALA H H 104 7.721 7.721 7.688 0.033 18107 2216 1 5 . 1 1 88 88 LEU N N 105 120.380 120.380 118.769 1.611 18107 2217 1 5 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.090 -0.098 18107 2218 1 5 . 1 1 88 88 LEU CA C 105 58.186 58.186 57.980 0.206 18107 2219 1 5 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.254 1.550 18107 2220 1 5 . 1 1 88 88 LEU H H 105 7.762 7.762 8.352 -0.590 18107 2221 1 5 . 1 1 89 89 GLN N N 106 118.781 118.781 119.770 -0.989 18107 2222 1 5 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.951 -0.366 18107 2223 1 5 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.565 0.412 18107 2224 1 5 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.406 1.221 18107 2225 1 5 . 1 1 89 89 GLN H H 106 8.658 8.658 8.619 0.039 18107 2226 1 5 . 1 1 90 90 LYS N N 107 118.977 118.977 119.785 -0.808 18107 2227 1 5 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.095 -0.147 18107 2228 1 5 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.487 0.008 18107 2229 1 5 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.076 0.347 18107 2230 1 5 . 1 1 90 90 LYS H H 107 7.786 7.786 7.759 0.027 18107 2231 1 5 . 1 1 91 91 ARG N N 108 117.470 117.470 120.531 -3.061 18107 2232 1 5 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.067 -0.064 18107 2233 1 5 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.550 0.032 18107 2234 1 5 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.270 1.357 18107 2235 1 5 . 1 1 91 91 ARG H H 108 7.469 7.469 7.618 -0.149 18107 2236 1 5 . 1 1 92 92 VAL N N 109 117.865 117.865 120.037 -2.172 18107 2237 1 5 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.651 -0.169 18107 2238 1 5 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.606 0.005 18107 2239 1 5 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.803 0.408 18107 2240 1 5 . 1 1 92 92 VAL H H 109 8.084 8.084 8.368 -0.284 18107 2241 1 5 . 1 1 93 93 GLN N N 110 119.617 119.617 117.970 1.647 18107 2242 1 5 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.049 -0.173 18107 2243 1 5 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.679 0.555 18107 2244 1 5 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.610 0.414 18107 2245 1 5 . 1 1 93 93 GLN H H 110 8.512 8.512 8.356 0.156 18107 2246 1 5 . 1 1 94 94 ASP N N 111 117.490 117.490 120.406 -2.916 18107 2247 1 5 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.460 0.031 18107 2248 1 5 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.606 -1.325 18107 2249 1 5 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.886 -0.051 18107 2250 1 5 . 1 1 94 94 ASP H H 111 8.194 8.194 8.286 -0.092 18107 2251 1 5 . 1 1 95 95 SER N N 112 116.625 116.625 113.562 3.063 18107 2252 1 5 . 1 1 95 95 SER HA H 112 4.288 4.288 4.170 0.118 18107 2253 1 5 . 1 1 95 95 SER CA C 112 59.770 59.770 61.006 -1.236 18107 2254 1 5 . 1 1 95 95 SER CB C 112 63.990 63.990 63.758 0.232 18107 2255 1 5 . 1 1 95 95 SER H H 112 7.479 7.479 7.812 -0.333 18107 2256 1 6 . 1 1 2 2 THR HA H 19 4.222 4.222 4.137 0.085 18107 2257 1 6 . 1 1 2 2 THR CA C 19 63.013 63.013 65.414 -2.401 18107 2258 1 6 . 1 1 2 2 THR CB C 19 69.504 69.504 68.896 0.608 18107 2259 1 6 . 1 1 3 3 ALA N N 20 125.065 125.065 123.673 1.392 18107 2260 1 6 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.006 0.144 18107 2261 1 6 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.003 -0.047 18107 2262 1 6 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.281 0.716 18107 2263 1 6 . 1 1 3 3 ALA H H 20 8.404 8.404 8.428 -0.024 18107 2264 1 6 . 1 1 4 4 THR N N 21 109.840 109.840 112.126 -2.286 18107 2265 1 6 . 1 1 4 4 THR HA H 21 4.235 4.235 4.033 0.202 18107 2266 1 6 . 1 1 4 4 THR CA C 21 64.668 64.668 65.074 -0.406 18107 2267 1 6 . 1 1 4 4 THR CB C 21 68.923 68.923 67.283 1.640 18107 2268 1 6 . 1 1 4 4 THR H H 21 7.910 7.910 8.261 -0.351 18107 2269 1 6 . 1 1 5 5 GLN N N 22 122.037 122.037 118.990 3.047 18107 2270 1 6 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.020 0.031 18107 2271 1 6 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.622 -0.458 18107 2272 1 6 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.675 -0.118 18107 2273 1 6 . 1 1 5 5 GLN H H 22 7.953 7.953 7.618 0.335 18107 2274 1 6 . 1 1 6 6 ARG N N 23 118.944 118.944 120.143 -1.199 18107 2275 1 6 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.108 -0.002 18107 2276 1 6 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.472 -0.380 18107 2277 1 6 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.102 0.045 18107 2278 1 6 . 1 1 6 6 ARG H H 23 7.922 7.922 7.346 0.576 18107 2279 1 6 . 1 1 7 7 PHE N N 24 116.543 116.543 115.212 1.331 18107 2280 1 6 . 1 1 7 7 PHE H H 24 8.276 8.276 7.681 0.595 18107 2281 1 6 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.477 0.018 18107 2282 1 6 . 1 1 8 8 HIS CA C 25 60.020 60.020 59.289 0.731 18107 2283 1 6 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.879 -0.827 18107 2284 1 6 . 1 1 9 9 GLU N N 26 118.298 118.298 118.700 -0.402 18107 2285 1 6 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.056 -0.066 18107 2286 1 6 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.650 -0.272 18107 2287 1 6 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.373 -0.061 18107 2288 1 6 . 1 1 9 9 GLU H H 26 8.148 8.148 8.623 -0.475 18107 2289 1 6 . 1 1 10 10 ILE N N 27 121.761 121.761 117.099 4.662 18107 2290 1 6 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.726 0.238 18107 2291 1 6 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.198 0.265 18107 2292 1 6 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.769 0.481 18107 2293 1 6 . 1 1 10 10 ILE H H 27 8.165 8.165 8.076 0.089 18107 2294 1 6 . 1 1 11 11 GLU N N 28 122.042 122.042 121.687 0.355 18107 2295 1 6 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.971 -0.134 18107 2296 1 6 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.048 0.580 18107 2297 1 6 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.493 0.513 18107 2298 1 6 . 1 1 11 11 GLU H H 28 8.541 8.541 7.790 0.751 18107 2299 1 6 . 1 1 12 12 LYS N N 29 117.967 117.967 118.862 -0.895 18107 2300 1 6 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.063 -0.121 18107 2301 1 6 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.446 0.295 18107 2302 1 6 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.240 0.211 18107 2303 1 6 . 1 1 12 12 LYS H H 29 7.517 7.517 7.855 -0.338 18107 2304 1 6 . 1 1 13 13 PHE N N 30 122.144 122.144 120.185 1.959 18107 2305 1 6 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.334 0.095 18107 2306 1 6 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.111 -0.324 18107 2307 1 6 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.642 0.569 18107 2308 1 6 . 1 1 13 13 PHE H H 30 8.066 8.066 8.054 0.012 18107 2309 1 6 . 1 1 14 14 LEU N N 31 119.404 119.404 120.093 -0.689 18107 2310 1 6 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.010 -0.276 18107 2311 1 6 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.939 -1.175 18107 2312 1 6 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.657 -0.221 18107 2313 1 6 . 1 1 14 14 LEU H H 31 8.739 8.739 8.445 0.294 18107 2314 1 6 . 1 1 15 15 LEU N N 32 121.073 121.073 118.228 2.845 18107 2315 1 6 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.109 -0.149 18107 2316 1 6 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.423 -0.091 18107 2317 1 6 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.200 0.763 18107 2318 1 6 . 1 1 15 15 LEU H H 32 7.736 7.736 7.636 0.100 18107 2319 1 6 . 1 1 16 16 HIS N N 33 118.629 118.629 119.794 -1.165 18107 2320 1 6 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.391 -0.045 18107 2321 1 6 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.144 -0.499 18107 2322 1 6 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.710 -0.409 18107 2323 1 6 . 1 1 16 16 HIS H H 33 7.681 7.681 8.088 -0.407 18107 2324 1 6 . 1 1 17 17 ILE N N 34 118.602 118.602 120.297 -1.695 18107 2325 1 6 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.774 0.031 18107 2326 1 6 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.930 -1.423 18107 2327 1 6 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.051 -0.606 18107 2328 1 6 . 1 1 17 17 ILE H H 34 8.502 8.502 8.838 -0.336 18107 2329 1 6 . 1 1 18 18 THR N N 35 117.776 117.776 116.159 1.617 18107 2330 1 6 . 1 1 18 18 THR HA H 35 4.116 4.116 3.973 0.143 18107 2331 1 6 . 1 1 18 18 THR CA C 35 68.694 68.694 66.643 2.051 18107 2332 1 6 . 1 1 18 18 THR CB C 35 68.694 68.694 68.067 0.627 18107 2333 1 6 . 1 1 18 18 THR H H 35 7.726 7.726 7.833 -0.107 18107 2334 1 6 . 1 1 19 19 HIS N N 36 118.130 118.130 120.821 -2.691 18107 2335 1 6 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.153 0.248 18107 2336 1 6 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.121 -0.335 18107 2337 1 6 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.928 -0.858 18107 2338 1 6 . 1 1 19 19 HIS H H 36 7.177 7.177 7.790 -0.613 18107 2339 1 6 . 1 1 20 20 GLU N N 37 119.301 119.301 118.468 0.833 18107 2340 1 6 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.989 0.061 18107 2341 1 6 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.554 0.002 18107 2342 1 6 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.508 0.548 18107 2343 1 6 . 1 1 20 20 GLU H H 37 7.335 7.335 7.832 -0.497 18107 2344 1 6 . 1 1 21 21 VAL N N 38 122.744 122.744 119.831 2.913 18107 2345 1 6 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.643 -0.221 18107 2346 1 6 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.343 0.706 18107 2347 1 6 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.479 -0.106 18107 2348 1 6 . 1 1 21 21 VAL H H 38 8.385 8.385 7.735 0.650 18107 2349 1 6 . 1 1 22 22 ASP N N 39 120.471 120.471 120.680 -0.209 18107 2350 1 6 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.411 -0.264 18107 2351 1 6 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.116 0.610 18107 2352 1 6 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.738 -0.351 18107 2353 1 6 . 1 1 22 22 ASP H H 39 8.054 8.054 7.854 0.200 18107 2354 1 6 . 1 1 23 23 ASP N N 40 118.541 118.541 120.026 -1.485 18107 2355 1 6 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.370 0.050 18107 2356 1 6 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.954 -0.467 18107 2357 1 6 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.049 0.125 18107 2358 1 6 . 1 1 23 23 ASP H H 40 7.587 7.587 7.831 -0.244 18107 2359 1 6 . 1 1 24 24 LEU N N 41 123.241 123.241 117.221 6.020 18107 2360 1 6 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.159 0.009 18107 2361 1 6 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.221 -0.514 18107 2362 1 6 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.211 0.698 18107 2363 1 6 . 1 1 24 24 LEU H H 41 8.032 8.032 8.197 -0.165 18107 2364 1 6 . 1 1 25 25 GLU N N 42 117.508 117.508 120.525 -3.017 18107 2365 1 6 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.231 -0.311 18107 2366 1 6 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.135 -0.053 18107 2367 1 6 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.762 0.101 18107 2368 1 6 . 1 1 25 25 GLU H H 42 8.010 8.010 8.260 -0.250 18107 2369 1 6 . 1 1 26 26 LYS N N 43 117.032 117.032 115.226 1.806 18107 2370 1 6 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.355 -0.112 18107 2371 1 6 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.515 0.736 18107 2372 1 6 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.194 1.313 18107 2373 1 6 . 1 1 26 26 LYS H H 43 7.596 7.596 7.748 -0.152 18107 2374 1 6 . 1 1 27 27 THR N N 44 110.288 110.288 112.376 -2.088 18107 2375 1 6 . 1 1 27 27 THR HA H 44 4.271 4.271 4.462 -0.191 18107 2376 1 6 . 1 1 27 27 THR CA C 44 62.820 62.820 63.169 -0.349 18107 2377 1 6 . 1 1 27 27 THR CB C 44 70.733 70.733 70.641 0.092 18107 2378 1 6 . 1 1 27 27 THR H H 44 8.227 8.227 7.375 0.852 18107 2379 1 6 . 1 1 28 28 GLY N N 45 112.257 112.257 107.456 4.801 18107 2380 1 6 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.689 0.972 18107 2381 1 6 . 1 1 28 28 GLY H H 45 8.727 8.727 8.226 0.501 18107 2382 1 6 . 1 1 29 29 ASN N N 46 118.416 118.416 119.057 -0.641 18107 2383 1 6 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.319 0.150 18107 2384 1 6 . 1 1 29 29 ASN CA C 46 54.297 54.297 54.038 0.259 18107 2385 1 6 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.339 2.771 18107 2386 1 6 . 1 1 29 29 ASN H H 46 7.716 7.716 8.228 -0.512 18107 2387 1 6 . 1 1 30 30 LYS N N 47 126.481 126.481 119.220 7.261 18107 2388 1 6 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.143 -0.155 18107 2389 1 6 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.502 0.689 18107 2390 1 6 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.343 0.170 18107 2391 1 6 . 1 1 30 30 LYS H H 47 8.770 8.770 8.482 0.288 18107 2392 1 6 . 1 1 31 31 ASP N N 48 121.710 121.710 115.157 6.553 18107 2393 1 6 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.781 -0.314 18107 2394 1 6 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.252 3.383 18107 2395 1 6 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.839 -1.395 18107 2396 1 6 . 1 1 31 31 ASP H H 48 8.229 8.229 8.099 0.130 18107 2397 1 6 . 1 1 32 32 GLU N N 49 121.695 121.695 122.015 -0.320 18107 2398 1 6 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.197 0.160 18107 2399 1 6 . 1 1 32 32 GLU H H 49 8.048 8.048 8.689 -0.641 18107 2400 1 6 . 1 1 33 33 LYS N N 50 120.099 120.099 118.412 1.687 18107 2401 1 6 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.905 -0.254 18107 2402 1 6 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.564 0.273 18107 2403 1 6 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.859 1.108 18107 2404 1 6 . 1 1 33 33 LYS H H 50 7.975 7.975 8.474 -0.499 18107 2405 1 6 . 1 1 34 34 ALA N N 51 118.238 118.238 119.973 -1.735 18107 2406 1 6 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.003 -0.014 18107 2407 1 6 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.025 0.368 18107 2408 1 6 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.431 -0.219 18107 2409 1 6 . 1 1 34 34 ALA H H 51 7.614 7.614 8.369 -0.755 18107 2410 1 6 . 1 1 35 35 ARG N N 52 120.311 120.311 119.528 0.783 18107 2411 1 6 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.104 1.787 18107 2412 1 6 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.332 0.718 18107 2413 1 6 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.415 -0.004 18107 2414 1 6 . 1 1 35 35 ARG H H 52 7.883 7.883 7.667 0.216 18107 2415 1 6 . 1 1 36 36 LEU N N 53 119.541 119.541 120.025 -0.484 18107 2416 1 6 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.107 -0.161 18107 2417 1 6 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.454 0.035 18107 2418 1 6 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.316 1.126 18107 2419 1 6 . 1 1 36 36 LEU H H 53 8.553 8.553 8.660 -0.107 18107 2420 1 6 . 1 1 37 37 LEU N N 54 117.789 117.789 120.151 -2.362 18107 2421 1 6 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.900 0.165 18107 2422 1 6 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.914 0.728 18107 2423 1 6 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.387 -0.068 18107 2424 1 6 . 1 1 37 37 LEU H H 54 8.341 8.341 8.569 -0.228 18107 2425 1 6 . 1 1 38 38 ARG N N 55 121.176 121.176 118.874 2.302 18107 2426 1 6 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.091 -0.023 18107 2427 1 6 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.247 2.078 18107 2428 1 6 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.502 0.569 18107 2429 1 6 . 1 1 38 38 ARG H H 55 7.864 7.864 7.818 0.046 18107 2430 1 6 . 1 1 39 39 GLU N N 56 119.256 119.256 119.800 -0.544 18107 2431 1 6 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.099 -0.039 18107 2432 1 6 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.457 0.437 18107 2433 1 6 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.219 0.682 18107 2434 1 6 . 1 1 39 39 GLU H H 56 8.390 8.390 7.787 0.603 18107 2435 1 6 . 1 1 40 40 LEU N N 57 120.312 120.312 118.364 1.948 18107 2436 1 6 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.224 -0.096 18107 2437 1 6 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.284 0.337 18107 2438 1 6 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.288 0.940 18107 2439 1 6 . 1 1 40 40 LEU H H 57 8.802 8.802 8.008 0.794 18107 2440 1 6 . 1 1 41 41 THR N N 58 117.791 117.791 117.410 0.381 18107 2441 1 6 . 1 1 41 41 THR HA H 58 4.341 4.341 4.073 0.268 18107 2442 1 6 . 1 1 41 41 THR CA C 58 67.542 67.542 67.538 0.004 18107 2443 1 6 . 1 1 41 41 THR CB C 58 69.157 69.157 68.763 0.394 18107 2444 1 6 . 1 1 41 41 THR H H 58 8.182 8.182 7.851 0.331 18107 2445 1 6 . 1 1 42 42 VAL N N 59 123.554 123.554 121.135 2.419 18107 2446 1 6 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.491 0.232 18107 2447 1 6 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.910 -0.055 18107 2448 1 6 . 1 1 42 42 VAL H H 59 7.978 7.978 8.307 -0.329 18107 2449 1 6 . 1 1 43 43 SER N N 60 116.859 116.859 115.044 1.815 18107 2450 1 6 . 1 1 43 43 SER HA H 60 4.155 4.155 2.183 1.972 18107 2451 1 6 . 1 1 43 43 SER CA C 60 63.412 63.412 60.957 2.455 18107 2452 1 6 . 1 1 43 43 SER H H 60 7.715 7.715 7.623 0.092 18107 2453 1 6 . 1 1 44 44 GLU N N 61 124.072 124.072 120.670 3.402 18107 2454 1 6 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.764 -0.138 18107 2455 1 6 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.157 1.345 18107 2456 1 6 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.493 0.301 18107 2457 1 6 . 1 1 44 44 GLU H H 61 8.517 8.517 8.219 0.298 18107 2458 1 6 . 1 1 45 45 ALA N N 62 120.467 120.467 122.165 -1.698 18107 2459 1 6 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.052 0.097 18107 2460 1 6 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.965 0.261 18107 2461 1 6 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.384 -0.539 18107 2462 1 6 . 1 1 45 45 ALA H H 62 7.853 7.853 7.573 0.280 18107 2463 1 6 . 1 1 46 46 PHE N N 63 119.936 119.936 116.658 3.278 18107 2464 1 6 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.332 -0.067 18107 2465 1 6 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.538 2.998 18107 2466 1 6 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.763 1.429 18107 2467 1 6 . 1 1 46 46 PHE H H 63 7.946 7.946 7.009 0.937 18107 2468 1 6 . 1 1 47 47 ILE N N 64 122.630 122.630 120.610 2.020 18107 2469 1 6 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.747 -0.127 18107 2470 1 6 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.335 2.023 18107 2471 1 6 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.055 1.326 18107 2472 1 6 . 1 1 47 47 ILE H H 64 8.595 8.595 8.421 0.174 18107 2473 1 6 . 1 1 48 48 GLU N N 65 120.257 120.257 119.209 1.048 18107 2474 1 6 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.080 0.509 18107 2475 1 6 . 1 1 48 48 GLU CA C 65 59.356 59.356 60.001 -0.645 18107 2476 1 6 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.543 0.058 18107 2477 1 6 . 1 1 48 48 GLU H H 65 9.078 9.078 8.014 1.064 18107 2478 1 6 . 1 1 49 49 GLY N N 66 108.368 108.368 107.826 0.542 18107 2479 1 6 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.786 0.367 18107 2480 1 6 . 1 1 49 49 GLY H H 66 8.379 8.379 8.135 0.244 18107 2481 1 6 . 1 1 50 50 SER N N 67 119.358 119.358 118.247 1.111 18107 2482 1 6 . 1 1 50 50 SER HA H 67 3.988 3.988 4.110 -0.122 18107 2483 1 6 . 1 1 50 50 SER CA C 67 62.501 62.501 61.622 0.879 18107 2484 1 6 . 1 1 50 50 SER CB C 67 63.441 63.441 63.196 0.245 18107 2485 1 6 . 1 1 50 50 SER H H 67 7.694 7.694 8.106 -0.412 18107 2486 1 6 . 1 1 51 51 ARG N N 68 121.212 121.212 119.927 1.285 18107 2487 1 6 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.267 -0.359 18107 2488 1 6 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.068 1.973 18107 2489 1 6 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.438 1.319 18107 2490 1 6 . 1 1 51 51 ARG H H 68 8.684 8.684 7.942 0.742 18107 2491 1 6 . 1 1 52 52 GLY N N 69 124.556 124.556 107.181 17.375 18107 2492 1 6 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.690 0.574 18107 2493 1 6 . 1 1 52 52 GLY H H 69 8.068 8.068 8.416 -0.348 18107 2494 1 6 . 1 1 53 53 TYR N N 70 123.123 123.123 123.410 -0.287 18107 2495 1 6 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.151 -0.082 18107 2496 1 6 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.161 -0.341 18107 2497 1 6 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.462 -0.715 18107 2498 1 6 . 1 1 53 53 TYR H H 70 7.337 7.337 7.631 -0.294 18107 2499 1 6 . 1 1 54 54 PHE N N 71 117.809 117.809 118.128 -0.319 18107 2500 1 6 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.001 -0.334 18107 2501 1 6 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.796 -0.307 18107 2502 1 6 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.046 0.703 18107 2503 1 6 . 1 1 54 54 PHE H H 71 7.965 7.965 7.589 0.376 18107 2504 1 6 . 1 1 55 55 GLN N N 72 115.519 115.519 117.885 -2.366 18107 2505 1 6 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.056 -0.198 18107 2506 1 6 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.016 0.592 18107 2507 1 6 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.573 0.423 18107 2508 1 6 . 1 1 55 55 GLN H H 72 8.522 8.522 7.878 0.644 18107 2509 1 6 . 1 1 56 56 ARG N N 73 118.947 118.947 117.351 1.596 18107 2510 1 6 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.097 -0.225 18107 2511 1 6 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.485 1.436 18107 2512 1 6 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.776 0.310 18107 2513 1 6 . 1 1 56 56 ARG H H 73 7.677 7.677 7.677 0.000 18107 2514 1 6 . 1 1 57 57 GLU N N 74 121.204 121.204 121.645 -0.441 18107 2515 1 6 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.950 -0.268 18107 2516 1 6 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.032 -0.098 18107 2517 1 6 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.981 0.712 18107 2518 1 6 . 1 1 57 57 GLU H H 74 7.897 7.897 8.310 -0.413 18107 2519 1 6 . 1 1 58 58 LEU N N 75 115.348 115.348 119.045 -3.697 18107 2520 1 6 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.202 -0.142 18107 2521 1 6 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.818 -0.924 18107 2522 1 6 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.071 0.259 18107 2523 1 6 . 1 1 58 58 LEU H H 75 7.746 7.746 7.796 -0.050 18107 2524 1 6 . 1 1 59 59 LYS N N 76 117.429 117.429 116.958 0.471 18107 2525 1 6 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.367 -0.167 18107 2526 1 6 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.131 0.477 18107 2527 1 6 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.169 0.714 18107 2528 1 6 . 1 1 59 59 LYS H H 76 7.233 7.233 7.943 -0.710 18107 2529 1 6 . 1 1 60 60 ARG N N 77 120.555 120.555 121.094 -0.539 18107 2530 1 6 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.032 0.095 18107 2531 1 6 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.928 -1.229 18107 2532 1 6 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.267 1.531 18107 2533 1 6 . 1 1 60 60 ARG H H 77 7.701 7.701 8.177 -0.476 18107 2534 1 6 . 1 1 61 61 THR N N 78 111.768 111.768 108.142 3.626 18107 2535 1 6 . 1 1 61 61 THR HA H 78 4.414 4.414 4.041 0.373 18107 2536 1 6 . 1 1 61 61 THR CA C 78 62.557 62.557 64.063 -1.506 18107 2537 1 6 . 1 1 61 61 THR CB C 78 69.221 69.221 68.215 1.006 18107 2538 1 6 . 1 1 61 61 THR H H 78 8.638 8.638 8.122 0.516 18107 2539 1 6 . 1 1 62 62 ASP N N 79 120.616 120.616 119.918 0.698 18107 2540 1 6 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.835 -0.203 18107 2541 1 6 . 1 1 62 62 ASP CA C 79 52.962 52.962 53.947 -0.985 18107 2542 1 6 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.531 -1.285 18107 2543 1 6 . 1 1 62 62 ASP H H 79 8.465 8.465 8.392 0.073 18107 2544 1 6 . 1 1 63 63 LEU N N 80 120.063 120.063 116.005 4.058 18107 2545 1 6 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.207 -0.962 18107 2546 1 6 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.993 1.219 18107 2547 1 6 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.535 -1.740 18107 2548 1 6 . 1 1 63 63 LEU H H 80 7.157 7.157 7.446 -0.289 18107 2549 1 6 . 1 1 64 64 ASP N N 81 125.396 125.396 122.027 3.369 18107 2550 1 6 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.982 -0.413 18107 2551 1 6 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.092 0.885 18107 2552 1 6 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.587 -1.786 18107 2553 1 6 . 1 1 64 64 ASP H H 81 8.926 8.926 8.210 0.716 18107 2554 1 6 . 1 1 65 65 LEU N N 82 122.508 122.508 120.275 2.233 18107 2555 1 6 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.358 -0.520 18107 2556 1 6 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.878 0.943 18107 2557 1 6 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.740 0.455 18107 2558 1 6 . 1 1 65 65 LEU H H 82 8.281 8.281 8.252 0.029 18107 2559 1 6 . 1 1 66 66 LEU N N 83 119.413 119.413 120.479 -1.066 18107 2560 1 6 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.041 0.031 18107 2561 1 6 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.225 -0.197 18107 2562 1 6 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.398 0.953 18107 2563 1 6 . 1 1 66 66 LEU H H 83 8.149 8.149 8.053 0.096 18107 2564 1 6 . 1 1 67 67 GLU N N 84 119.941 119.941 117.859 2.082 18107 2565 1 6 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.760 0.086 18107 2566 1 6 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.816 -1.292 18107 2567 1 6 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.220 0.992 18107 2568 1 6 . 1 1 67 67 GLU H H 84 7.725 7.725 8.619 -0.894 18107 2569 1 6 . 1 1 68 68 LYS N N 85 119.400 119.400 119.610 -0.210 18107 2570 1 6 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.828 -0.027 18107 2571 1 6 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.276 1.544 18107 2572 1 6 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.020 0.895 18107 2573 1 6 . 1 1 68 68 LYS H H 85 8.117 8.117 8.167 -0.050 18107 2574 1 6 . 1 1 69 69 PHE N N 86 117.969 117.969 119.943 -1.974 18107 2575 1 6 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.102 0.187 18107 2576 1 6 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.265 -0.396 18107 2577 1 6 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.563 0.192 18107 2578 1 6 . 1 1 69 69 PHE H H 86 7.975 7.975 8.180 -0.205 18107 2579 1 6 . 1 1 70 70 ASN N N 87 118.904 118.904 118.537 0.367 18107 2580 1 6 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.400 -0.039 18107 2581 1 6 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.387 -0.119 18107 2582 1 6 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.495 -0.397 18107 2583 1 6 . 1 1 70 70 ASN H H 87 8.259 8.259 7.294 0.965 18107 2584 1 6 . 1 1 71 71 PHE N N 88 121.068 121.068 118.649 2.419 18107 2585 1 6 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.304 0.962 18107 2586 1 6 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.703 1.084 18107 2587 1 6 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.494 0.536 18107 2588 1 6 . 1 1 71 71 PHE H H 88 8.618 8.618 7.402 1.216 18107 2589 1 6 . 1 1 72 72 GLU N N 89 120.500 120.500 119.026 1.474 18107 2590 1 6 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.851 0.002 18107 2591 1 6 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.354 1.143 18107 2592 1 6 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.156 0.355 18107 2593 1 6 . 1 1 72 72 GLU H H 89 8.709 8.709 8.699 0.010 18107 2594 1 6 . 1 1 73 73 ALA N N 90 123.117 123.117 122.104 1.013 18107 2595 1 6 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.097 -0.059 18107 2596 1 6 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.904 0.097 18107 2597 1 6 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.060 -0.112 18107 2598 1 6 . 1 1 73 73 ALA H H 90 8.158 8.158 7.958 0.200 18107 2599 1 6 . 1 1 74 74 ALA N N 91 122.919 122.919 121.501 1.418 18107 2600 1 6 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.195 -0.244 18107 2601 1 6 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.648 0.631 18107 2602 1 6 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.291 -0.625 18107 2603 1 6 . 1 1 74 74 ALA H H 91 7.841 7.841 8.168 -0.327 18107 2604 1 6 . 1 1 75 75 LEU N N 92 119.956 119.956 119.813 0.143 18107 2605 1 6 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.153 -0.106 18107 2606 1 6 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.195 0.264 18107 2607 1 6 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.844 0.314 18107 2608 1 6 . 1 1 75 75 LEU H H 92 8.091 8.091 8.410 -0.319 18107 2609 1 6 . 1 1 76 76 ALA N N 93 120.763 120.763 120.691 0.072 18107 2610 1 6 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.109 0.021 18107 2611 1 6 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.117 0.287 18107 2612 1 6 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.294 -0.424 18107 2613 1 6 . 1 1 76 76 ALA H H 93 7.774 7.774 7.932 -0.158 18107 2614 1 6 . 1 1 77 77 THR N N 94 117.510 117.510 116.259 1.251 18107 2615 1 6 . 1 1 77 77 THR HA H 94 4.234 4.234 4.086 0.148 18107 2616 1 6 . 1 1 77 77 THR CA C 94 67.364 67.364 66.953 0.411 18107 2617 1 6 . 1 1 77 77 THR CB C 94 68.779 68.779 68.718 0.061 18107 2618 1 6 . 1 1 77 77 THR H H 94 8.188 8.188 7.831 0.357 18107 2619 1 6 . 1 1 78 78 GLY N N 95 110.009 110.009 110.121 -0.112 18107 2620 1 6 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.757 1.393 18107 2621 1 6 . 1 1 78 78 GLY H H 95 8.547 8.547 8.908 -0.361 18107 2622 1 6 . 1 1 79 79 ASP N N 96 121.634 121.634 122.884 -1.250 18107 2623 1 6 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.426 -0.158 18107 2624 1 6 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.455 0.481 18107 2625 1 6 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.670 -0.030 18107 2626 1 6 . 1 1 79 79 ASP H H 96 8.548 8.548 8.134 0.414 18107 2627 1 6 . 1 1 80 80 LEU N N 97 122.599 122.599 119.626 2.973 18107 2628 1 6 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.075 -0.067 18107 2629 1 6 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.698 0.744 18107 2630 1 6 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.226 -0.297 18107 2631 1 6 . 1 1 80 80 LEU H H 97 7.618 7.618 7.656 -0.038 18107 2632 1 6 . 1 1 81 81 LEU N N 98 119.913 119.913 118.251 1.662 18107 2633 1 6 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.087 -0.056 18107 2634 1 6 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.160 -0.353 18107 2635 1 6 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.217 1.144 18107 2636 1 6 . 1 1 81 81 LEU H H 98 8.224 8.224 7.962 0.262 18107 2637 1 6 . 1 1 82 82 LEU N N 99 118.616 118.616 120.586 -1.970 18107 2638 1 6 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.878 0.097 18107 2639 1 6 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.847 0.222 18107 2640 1 6 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.586 0.579 18107 2641 1 6 . 1 1 82 82 LEU H H 99 8.359 8.359 8.571 -0.212 18107 2642 1 6 . 1 1 83 83 LYS N N 100 118.988 118.988 119.019 -0.031 18107 2643 1 6 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.005 -0.121 18107 2644 1 6 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.091 1.176 18107 2645 1 6 . 1 1 83 83 LYS CB C 100 32.171 32.171 31.642 0.529 18107 2646 1 6 . 1 1 83 83 LYS H H 100 7.566 7.566 7.752 -0.186 18107 2647 1 6 . 1 1 84 84 ASP N N 101 121.591 121.591 120.709 0.882 18107 2648 1 6 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.512 -0.115 18107 2649 1 6 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.443 1.253 18107 2650 1 6 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.719 -0.314 18107 2651 1 6 . 1 1 84 84 ASP H H 101 7.743 7.743 7.847 -0.104 18107 2652 1 6 . 1 1 85 85 LEU N N 102 123.215 123.215 120.574 2.641 18107 2653 1 6 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.865 -0.015 18107 2654 1 6 . 1 1 85 85 LEU CA C 102 59.841 59.841 57.933 1.908 18107 2655 1 6 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.722 0.850 18107 2656 1 6 . 1 1 85 85 LEU H H 102 8.760 8.760 8.370 0.390 18107 2657 1 6 . 1 1 86 86 LYS N N 103 119.648 119.648 119.261 0.387 18107 2658 1 6 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.982 0.086 18107 2659 1 6 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.340 -0.548 18107 2660 1 6 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.329 -1.197 18107 2661 1 6 . 1 1 86 86 LYS H H 103 8.883 8.883 7.816 1.067 18107 2662 1 6 . 1 1 87 87 ALA N N 104 122.844 122.844 121.642 1.202 18107 2663 1 6 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.136 0.024 18107 2664 1 6 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.822 0.478 18107 2665 1 6 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.207 -0.187 18107 2666 1 6 . 1 1 87 87 ALA H H 104 7.721 7.721 7.647 0.074 18107 2667 1 6 . 1 1 88 88 LEU N N 105 120.380 120.380 118.789 1.591 18107 2668 1 6 . 1 1 88 88 LEU HA H 105 3.992 3.992 3.994 -0.002 18107 2669 1 6 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.307 -0.121 18107 2670 1 6 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.068 1.736 18107 2671 1 6 . 1 1 88 88 LEU H H 105 7.762 7.762 8.271 -0.509 18107 2672 1 6 . 1 1 89 89 GLN N N 106 118.781 118.781 119.423 -0.642 18107 2673 1 6 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.913 -0.328 18107 2674 1 6 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.487 0.490 18107 2675 1 6 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.495 1.132 18107 2676 1 6 . 1 1 89 89 GLN H H 106 8.658 8.658 8.007 0.651 18107 2677 1 6 . 1 1 90 90 LYS N N 107 118.977 118.977 118.743 0.234 18107 2678 1 6 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.107 -0.159 18107 2679 1 6 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.350 1.145 18107 2680 1 6 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.669 0.754 18107 2681 1 6 . 1 1 90 90 LYS H H 107 7.786 7.786 7.703 0.083 18107 2682 1 6 . 1 1 91 91 ARG N N 108 117.470 117.470 120.336 -2.866 18107 2683 1 6 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.093 -0.090 18107 2684 1 6 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.553 0.029 18107 2685 1 6 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.247 1.381 18107 2686 1 6 . 1 1 91 91 ARG H H 108 7.469 7.469 7.671 -0.202 18107 2687 1 6 . 1 1 92 92 VAL N N 109 117.865 117.865 119.758 -1.893 18107 2688 1 6 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.766 -0.284 18107 2689 1 6 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.995 0.616 18107 2690 1 6 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.378 0.833 18107 2691 1 6 . 1 1 92 92 VAL H H 109 8.084 8.084 8.355 -0.271 18107 2692 1 6 . 1 1 93 93 GLN N N 110 119.617 119.617 117.411 2.206 18107 2693 1 6 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.106 -0.230 18107 2694 1 6 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.505 0.729 18107 2695 1 6 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.804 0.220 18107 2696 1 6 . 1 1 93 93 GLN H H 110 8.512 8.512 8.327 0.185 18107 2697 1 6 . 1 1 94 94 ASP N N 111 117.490 117.490 117.274 0.216 18107 2698 1 6 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.659 -0.168 18107 2699 1 6 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.812 -0.531 18107 2700 1 6 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.294 -1.459 18107 2701 1 6 . 1 1 94 94 ASP H H 111 8.194 8.194 7.879 0.315 18107 2702 1 6 . 1 1 95 95 SER N N 112 116.625 116.625 111.560 5.065 18107 2703 1 6 . 1 1 95 95 SER HA H 112 4.288 4.288 4.019 0.269 18107 2704 1 6 . 1 1 95 95 SER CA C 112 59.770 59.770 60.890 -1.120 18107 2705 1 6 . 1 1 95 95 SER CB C 112 63.990 63.990 61.405 2.585 18107 2706 1 6 . 1 1 95 95 SER H H 112 7.479 7.479 8.582 -1.103 18107 2707 1 7 . 1 1 2 2 THR HA H 19 4.222 4.222 4.084 0.138 18107 2708 1 7 . 1 1 2 2 THR CA C 19 63.013 63.013 65.406 -2.393 18107 2709 1 7 . 1 1 2 2 THR CB C 19 69.504 69.504 68.784 0.720 18107 2710 1 7 . 1 1 3 3 ALA N N 20 125.065 125.065 124.422 0.643 18107 2711 1 7 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.934 0.216 18107 2712 1 7 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.777 0.179 18107 2713 1 7 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.089 0.908 18107 2714 1 7 . 1 1 3 3 ALA H H 20 8.404 8.404 8.377 0.027 18107 2715 1 7 . 1 1 4 4 THR N N 21 109.840 109.840 111.610 -1.770 18107 2716 1 7 . 1 1 4 4 THR HA H 21 4.235 4.235 3.801 0.434 18107 2717 1 7 . 1 1 4 4 THR CA C 21 64.668 64.668 64.747 -0.079 18107 2718 1 7 . 1 1 4 4 THR CB C 21 68.923 68.923 67.655 1.268 18107 2719 1 7 . 1 1 4 4 THR H H 21 7.910 7.910 8.086 -0.176 18107 2720 1 7 . 1 1 5 5 GLN N N 22 122.037 122.037 118.954 3.083 18107 2721 1 7 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.137 -0.086 18107 2722 1 7 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.553 -0.389 18107 2723 1 7 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.941 -0.384 18107 2724 1 7 . 1 1 5 5 GLN H H 22 7.953 7.953 7.615 0.338 18107 2725 1 7 . 1 1 6 6 ARG N N 23 118.944 118.944 119.489 -0.545 18107 2726 1 7 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.065 0.041 18107 2727 1 7 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.361 -0.269 18107 2728 1 7 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.363 -0.216 18107 2729 1 7 . 1 1 6 6 ARG H H 23 7.922 7.922 7.415 0.507 18107 2730 1 7 . 1 1 7 7 PHE N N 24 116.543 116.543 115.019 1.524 18107 2731 1 7 . 1 1 7 7 PHE H H 24 8.276 8.276 7.586 0.690 18107 2732 1 7 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.600 -0.105 18107 2733 1 7 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.743 2.277 18107 2734 1 7 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.387 -1.335 18107 2735 1 7 . 1 1 9 9 GLU N N 26 118.298 118.298 120.315 -2.017 18107 2736 1 7 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.086 -0.096 18107 2737 1 7 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.534 -0.156 18107 2738 1 7 . 1 1 9 9 GLU CB C 26 29.312 29.312 28.969 0.343 18107 2739 1 7 . 1 1 9 9 GLU H H 26 8.148 8.148 8.634 -0.486 18107 2740 1 7 . 1 1 10 10 ILE N N 27 121.761 121.761 117.634 4.127 18107 2741 1 7 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.809 0.155 18107 2742 1 7 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.279 -1.816 18107 2743 1 7 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.727 -0.477 18107 2744 1 7 . 1 1 10 10 ILE H H 27 8.165 8.165 8.214 -0.049 18107 2745 1 7 . 1 1 11 11 GLU N N 28 122.042 122.042 120.506 1.536 18107 2746 1 7 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.020 -0.183 18107 2747 1 7 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.135 0.493 18107 2748 1 7 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.344 0.662 18107 2749 1 7 . 1 1 11 11 GLU H H 28 8.541 8.541 8.230 0.311 18107 2750 1 7 . 1 1 12 12 LYS N N 29 117.967 117.967 119.185 -1.218 18107 2751 1 7 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.087 -0.145 18107 2752 1 7 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.376 0.365 18107 2753 1 7 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.329 0.123 18107 2754 1 7 . 1 1 12 12 LYS H H 29 7.517 7.517 7.797 -0.280 18107 2755 1 7 . 1 1 13 13 PHE N N 30 122.144 122.144 120.630 1.514 18107 2756 1 7 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.382 0.047 18107 2757 1 7 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.008 -0.221 18107 2758 1 7 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.756 0.455 18107 2759 1 7 . 1 1 13 13 PHE H H 30 8.066 8.066 8.035 0.031 18107 2760 1 7 . 1 1 14 14 LEU N N 31 119.404 119.404 119.950 -0.546 18107 2761 1 7 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.961 -0.227 18107 2762 1 7 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.831 -1.067 18107 2763 1 7 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.540 -0.104 18107 2764 1 7 . 1 1 14 14 LEU H H 31 8.739 8.739 8.605 0.134 18107 2765 1 7 . 1 1 15 15 LEU N N 32 121.073 121.073 117.323 3.750 18107 2766 1 7 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.168 -0.208 18107 2767 1 7 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.134 0.198 18107 2768 1 7 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.145 0.817 18107 2769 1 7 . 1 1 15 15 LEU H H 32 7.736 7.736 7.687 0.049 18107 2770 1 7 . 1 1 16 16 HIS N N 33 118.629 118.629 119.332 -0.703 18107 2771 1 7 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.329 0.017 18107 2772 1 7 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.159 1.486 18107 2773 1 7 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.684 0.617 18107 2774 1 7 . 1 1 16 16 HIS H H 33 7.681 7.681 8.232 -0.551 18107 2775 1 7 . 1 1 17 17 ILE N N 34 118.602 118.602 120.430 -1.828 18107 2776 1 7 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.897 -0.092 18107 2777 1 7 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.459 -0.952 18107 2778 1 7 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.048 -0.603 18107 2779 1 7 . 1 1 17 17 ILE H H 34 8.502 8.502 8.516 -0.014 18107 2780 1 7 . 1 1 18 18 THR N N 35 117.776 117.776 115.941 1.835 18107 2781 1 7 . 1 1 18 18 THR HA H 35 4.116 4.116 3.962 0.154 18107 2782 1 7 . 1 1 18 18 THR CA C 35 68.694 68.694 66.769 1.925 18107 2783 1 7 . 1 1 18 18 THR CB C 35 68.694 68.694 68.114 0.580 18107 2784 1 7 . 1 1 18 18 THR H H 35 7.726 7.726 7.793 -0.067 18107 2785 1 7 . 1 1 19 19 HIS N N 36 118.130 118.130 120.538 -2.408 18107 2786 1 7 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.219 0.182 18107 2787 1 7 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.840 -0.054 18107 2788 1 7 . 1 1 19 19 HIS CB C 36 29.070 29.070 30.036 -0.966 18107 2789 1 7 . 1 1 19 19 HIS H H 36 7.177 7.177 7.948 -0.771 18107 2790 1 7 . 1 1 20 20 GLU N N 37 119.301 119.301 118.761 0.540 18107 2791 1 7 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.080 -0.030 18107 2792 1 7 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.261 0.296 18107 2793 1 7 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.575 0.481 18107 2794 1 7 . 1 1 20 20 GLU H H 37 7.335 7.335 7.997 -0.662 18107 2795 1 7 . 1 1 21 21 VAL N N 38 122.744 122.744 119.256 3.488 18107 2796 1 7 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.593 -0.171 18107 2797 1 7 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.546 0.503 18107 2798 1 7 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.467 -0.094 18107 2799 1 7 . 1 1 21 21 VAL H H 38 8.385 8.385 7.790 0.595 18107 2800 1 7 . 1 1 22 22 ASP N N 39 120.471 120.471 119.211 1.260 18107 2801 1 7 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.379 -0.232 18107 2802 1 7 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.020 0.707 18107 2803 1 7 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.519 -0.132 18107 2804 1 7 . 1 1 22 22 ASP H H 39 8.054 8.054 7.756 0.298 18107 2805 1 7 . 1 1 23 23 ASP N N 40 118.541 118.541 119.865 -1.324 18107 2806 1 7 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.437 -0.017 18107 2807 1 7 . 1 1 23 23 ASP CA C 40 57.487 57.487 56.907 0.580 18107 2808 1 7 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.150 0.024 18107 2809 1 7 . 1 1 23 23 ASP H H 40 7.587 7.587 7.787 -0.200 18107 2810 1 7 . 1 1 24 24 LEU N N 41 123.241 123.241 117.674 5.567 18107 2811 1 7 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.380 -0.212 18107 2812 1 7 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.827 -0.120 18107 2813 1 7 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.216 0.693 18107 2814 1 7 . 1 1 24 24 LEU H H 41 8.032 8.032 8.245 -0.213 18107 2815 1 7 . 1 1 25 25 GLU N N 42 117.508 117.508 118.322 -0.814 18107 2816 1 7 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.048 -0.128 18107 2817 1 7 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.069 0.013 18107 2818 1 7 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.537 0.327 18107 2819 1 7 . 1 1 25 25 GLU H H 42 8.010 8.010 8.268 -0.258 18107 2820 1 7 . 1 1 26 26 LYS N N 43 117.032 117.032 116.968 0.064 18107 2821 1 7 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.182 0.061 18107 2822 1 7 . 1 1 26 26 LYS CA C 43 58.251 58.251 58.476 -0.225 18107 2823 1 7 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.194 1.313 18107 2824 1 7 . 1 1 26 26 LYS H H 43 7.596 7.596 7.709 -0.113 18107 2825 1 7 . 1 1 27 27 THR N N 44 110.288 110.288 111.702 -1.414 18107 2826 1 7 . 1 1 27 27 THR HA H 44 4.271 4.271 4.395 -0.124 18107 2827 1 7 . 1 1 27 27 THR CA C 44 62.820 62.820 63.303 -0.483 18107 2828 1 7 . 1 1 27 27 THR CB C 44 70.733 70.733 71.025 -0.292 18107 2829 1 7 . 1 1 27 27 THR H H 44 8.227 8.227 7.432 0.795 18107 2830 1 7 . 1 1 28 28 GLY N N 45 112.257 112.257 107.516 4.741 18107 2831 1 7 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.804 0.857 18107 2832 1 7 . 1 1 28 28 GLY H H 45 8.727 8.727 8.306 0.421 18107 2833 1 7 . 1 1 29 29 ASN N N 46 118.416 118.416 118.553 -0.137 18107 2834 1 7 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.392 0.077 18107 2835 1 7 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.285 1.012 18107 2836 1 7 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.168 1.942 18107 2837 1 7 . 1 1 29 29 ASN H H 46 7.716 7.716 8.376 -0.660 18107 2838 1 7 . 1 1 30 30 LYS N N 47 126.481 126.481 119.077 7.404 18107 2839 1 7 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.165 -0.177 18107 2840 1 7 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.170 1.021 18107 2841 1 7 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.644 -0.131 18107 2842 1 7 . 1 1 30 30 LYS H H 47 8.770 8.770 8.515 0.255 18107 2843 1 7 . 1 1 31 31 ASP N N 48 121.710 121.710 114.697 7.013 18107 2844 1 7 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.729 -0.262 18107 2845 1 7 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.547 3.088 18107 2846 1 7 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.343 -0.899 18107 2847 1 7 . 1 1 31 31 ASP H H 48 8.229 8.229 8.187 0.042 18107 2848 1 7 . 1 1 32 32 GLU N N 49 121.695 121.695 122.537 -0.842 18107 2849 1 7 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.047 0.310 18107 2850 1 7 . 1 1 32 32 GLU H H 49 8.048 8.048 8.585 -0.537 18107 2851 1 7 . 1 1 33 33 LYS N N 50 120.099 120.099 120.083 0.016 18107 2852 1 7 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.979 -0.328 18107 2853 1 7 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.381 1.456 18107 2854 1 7 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.968 0.999 18107 2855 1 7 . 1 1 33 33 LYS H H 50 7.975 7.975 7.759 0.216 18107 2856 1 7 . 1 1 34 34 ALA N N 51 118.238 118.238 120.608 -2.370 18107 2857 1 7 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.092 -0.103 18107 2858 1 7 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.072 0.321 18107 2859 1 7 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.208 0.004 18107 2860 1 7 . 1 1 34 34 ALA H H 51 7.614 7.614 8.339 -0.725 18107 2861 1 7 . 1 1 35 35 ARG N N 52 120.311 120.311 119.636 0.675 18107 2862 1 7 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.068 1.823 18107 2863 1 7 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.294 0.756 18107 2864 1 7 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.416 -0.005 18107 2865 1 7 . 1 1 35 35 ARG H H 52 7.883 7.883 7.885 -0.002 18107 2866 1 7 . 1 1 36 36 LEU N N 53 119.541 119.541 119.769 -0.228 18107 2867 1 7 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.067 -0.121 18107 2868 1 7 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.352 0.137 18107 2869 1 7 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.321 1.121 18107 2870 1 7 . 1 1 36 36 LEU H H 53 8.553 8.553 8.487 0.066 18107 2871 1 7 . 1 1 37 37 LEU N N 54 117.789 117.789 120.097 -2.308 18107 2872 1 7 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.834 0.231 18107 2873 1 7 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.047 0.595 18107 2874 1 7 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.396 -0.077 18107 2875 1 7 . 1 1 37 37 LEU H H 54 8.341 8.341 8.155 0.185 18107 2876 1 7 . 1 1 38 38 ARG N N 55 121.176 121.176 118.069 3.107 18107 2877 1 7 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.059 0.009 18107 2878 1 7 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.135 1.190 18107 2879 1 7 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.782 0.288 18107 2880 1 7 . 1 1 38 38 ARG H H 55 7.864 7.864 7.783 0.081 18107 2881 1 7 . 1 1 39 39 GLU N N 56 119.256 119.256 120.953 -1.697 18107 2882 1 7 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.145 -0.085 18107 2883 1 7 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.446 0.448 18107 2884 1 7 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.331 0.570 18107 2885 1 7 . 1 1 39 39 GLU H H 56 8.390 8.390 7.709 0.681 18107 2886 1 7 . 1 1 40 40 LEU N N 57 120.312 120.312 115.824 4.488 18107 2887 1 7 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.389 -0.261 18107 2888 1 7 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.592 1.029 18107 2889 1 7 . 1 1 40 40 LEU CB C 57 42.229 42.229 40.934 1.295 18107 2890 1 7 . 1 1 40 40 LEU H H 57 8.802 8.802 8.006 0.796 18107 2891 1 7 . 1 1 41 41 THR N N 58 117.791 117.791 117.265 0.526 18107 2892 1 7 . 1 1 41 41 THR HA H 58 4.341 4.341 3.829 0.512 18107 2893 1 7 . 1 1 41 41 THR CA C 58 67.542 67.542 67.266 0.276 18107 2894 1 7 . 1 1 41 41 THR CB C 58 69.157 69.157 68.575 0.582 18107 2895 1 7 . 1 1 41 41 THR H H 58 8.182 8.182 7.856 0.326 18107 2896 1 7 . 1 1 42 42 VAL N N 59 123.554 123.554 121.300 2.254 18107 2897 1 7 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.449 0.274 18107 2898 1 7 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.851 0.004 18107 2899 1 7 . 1 1 42 42 VAL H H 59 7.978 7.978 8.444 -0.466 18107 2900 1 7 . 1 1 43 43 SER N N 60 116.859 116.859 114.052 2.807 18107 2901 1 7 . 1 1 43 43 SER HA H 60 4.155 4.155 1.138 3.017 18107 2902 1 7 . 1 1 43 43 SER CA C 60 63.412 63.412 60.817 2.595 18107 2903 1 7 . 1 1 43 43 SER H H 60 7.715 7.715 7.529 0.186 18107 2904 1 7 . 1 1 44 44 GLU N N 61 124.072 124.072 121.146 2.926 18107 2905 1 7 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.766 -0.140 18107 2906 1 7 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.235 1.267 18107 2907 1 7 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.427 0.367 18107 2908 1 7 . 1 1 44 44 GLU H H 61 8.517 8.517 8.168 0.349 18107 2909 1 7 . 1 1 45 45 ALA N N 62 120.467 120.467 121.431 -0.964 18107 2910 1 7 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.318 -0.169 18107 2911 1 7 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.733 0.493 18107 2912 1 7 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.409 -0.564 18107 2913 1 7 . 1 1 45 45 ALA H H 62 7.853 7.853 7.669 0.184 18107 2914 1 7 . 1 1 46 46 PHE N N 63 119.936 119.936 117.340 2.596 18107 2915 1 7 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.235 0.030 18107 2916 1 7 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.739 2.797 18107 2917 1 7 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.467 1.725 18107 2918 1 7 . 1 1 46 46 PHE H H 63 7.946 7.946 7.204 0.742 18107 2919 1 7 . 1 1 47 47 ILE N N 64 122.630 122.630 120.442 2.188 18107 2920 1 7 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.356 0.264 18107 2921 1 7 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.960 2.398 18107 2922 1 7 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.769 1.612 18107 2923 1 7 . 1 1 47 47 ILE H H 64 8.595 8.595 7.844 0.751 18107 2924 1 7 . 1 1 48 48 GLU N N 65 120.257 120.257 119.705 0.552 18107 2925 1 7 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.067 0.522 18107 2926 1 7 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.279 0.077 18107 2927 1 7 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.902 0.699 18107 2928 1 7 . 1 1 48 48 GLU H H 65 9.078 9.078 8.030 1.048 18107 2929 1 7 . 1 1 49 49 GLY N N 66 108.368 108.368 108.400 -0.032 18107 2930 1 7 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.571 0.582 18107 2931 1 7 . 1 1 49 49 GLY H H 66 8.379 8.379 8.627 -0.248 18107 2932 1 7 . 1 1 50 50 SER N N 67 119.358 119.358 117.185 2.173 18107 2933 1 7 . 1 1 50 50 SER HA H 67 3.988 3.988 4.015 -0.027 18107 2934 1 7 . 1 1 50 50 SER CA C 67 62.501 62.501 60.921 1.580 18107 2935 1 7 . 1 1 50 50 SER CB C 67 63.441 63.441 63.109 0.332 18107 2936 1 7 . 1 1 50 50 SER H H 67 7.694 7.694 8.353 -0.659 18107 2937 1 7 . 1 1 51 51 ARG N N 68 121.212 121.212 120.870 0.342 18107 2938 1 7 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.126 -0.218 18107 2939 1 7 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.533 1.508 18107 2940 1 7 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.187 0.570 18107 2941 1 7 . 1 1 51 51 ARG H H 68 8.684 8.684 7.902 0.782 18107 2942 1 7 . 1 1 52 52 GLY N N 69 124.556 124.556 106.548 18.008 18107 2943 1 7 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.777 0.486 18107 2944 1 7 . 1 1 52 52 GLY H H 69 8.068 8.068 8.015 0.053 18107 2945 1 7 . 1 1 53 53 TYR N N 70 123.123 123.123 122.692 0.431 18107 2946 1 7 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.143 -0.074 18107 2947 1 7 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.542 -0.722 18107 2948 1 7 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.541 -0.794 18107 2949 1 7 . 1 1 53 53 TYR H H 70 7.337 7.337 7.699 -0.362 18107 2950 1 7 . 1 1 54 54 PHE N N 71 117.809 117.809 118.082 -0.273 18107 2951 1 7 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.894 -0.227 18107 2952 1 7 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.152 0.337 18107 2953 1 7 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.769 0.980 18107 2954 1 7 . 1 1 54 54 PHE H H 71 7.965 7.965 7.354 0.611 18107 2955 1 7 . 1 1 55 55 GLN N N 72 115.519 115.519 118.589 -3.070 18107 2956 1 7 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.036 -0.178 18107 2957 1 7 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.097 0.511 18107 2958 1 7 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.566 0.430 18107 2959 1 7 . 1 1 55 55 GLN H H 72 8.522 8.522 7.901 0.621 18107 2960 1 7 . 1 1 56 56 ARG N N 73 118.947 118.947 119.051 -0.104 18107 2961 1 7 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.028 -0.156 18107 2962 1 7 . 1 1 56 56 ARG CA C 73 59.921 59.921 59.038 0.883 18107 2963 1 7 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.852 0.234 18107 2964 1 7 . 1 1 56 56 ARG H H 73 7.677 7.677 7.704 -0.027 18107 2965 1 7 . 1 1 57 57 GLU N N 74 121.204 121.204 120.362 0.842 18107 2966 1 7 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.942 -0.260 18107 2967 1 7 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.084 -0.150 18107 2968 1 7 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.913 0.780 18107 2969 1 7 . 1 1 57 57 GLU H H 74 7.897 7.897 8.034 -0.137 18107 2970 1 7 . 1 1 58 58 LEU N N 75 115.348 115.348 119.351 -4.003 18107 2971 1 7 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.150 -0.090 18107 2972 1 7 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.421 -0.527 18107 2973 1 7 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.095 0.235 18107 2974 1 7 . 1 1 58 58 LEU H H 75 7.746 7.746 7.702 0.044 18107 2975 1 7 . 1 1 59 59 LYS N N 76 117.429 117.429 116.378 1.051 18107 2976 1 7 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.281 -0.081 18107 2977 1 7 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.697 -0.089 18107 2978 1 7 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.557 0.326 18107 2979 1 7 . 1 1 59 59 LYS H H 76 7.233 7.233 7.788 -0.555 18107 2980 1 7 . 1 1 60 60 ARG N N 77 120.555 120.555 120.413 0.142 18107 2981 1 7 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.102 0.024 18107 2982 1 7 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.703 -1.004 18107 2983 1 7 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.390 1.408 18107 2984 1 7 . 1 1 60 60 ARG H H 77 7.701 7.701 7.871 -0.170 18107 2985 1 7 . 1 1 61 61 THR N N 78 111.768 111.768 107.595 4.173 18107 2986 1 7 . 1 1 61 61 THR HA H 78 4.414 4.414 4.105 0.309 18107 2987 1 7 . 1 1 61 61 THR CA C 78 62.557 62.557 64.266 -1.708 18107 2988 1 7 . 1 1 61 61 THR CB C 78 69.221 69.221 67.661 1.560 18107 2989 1 7 . 1 1 61 61 THR H H 78 8.638 8.638 8.067 0.571 18107 2990 1 7 . 1 1 62 62 ASP N N 79 120.616 120.616 119.837 0.779 18107 2991 1 7 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.846 -0.214 18107 2992 1 7 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.393 -1.431 18107 2993 1 7 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.502 -1.256 18107 2994 1 7 . 1 1 62 62 ASP H H 79 8.465 8.465 8.448 0.017 18107 2995 1 7 . 1 1 63 63 LEU N N 80 120.063 120.063 116.244 3.819 18107 2996 1 7 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.888 -0.643 18107 2997 1 7 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.555 1.657 18107 2998 1 7 . 1 1 63 63 LEU CB C 80 43.795 43.795 46.109 -2.314 18107 2999 1 7 . 1 1 63 63 LEU H H 80 7.157 7.157 7.374 -0.217 18107 3000 1 7 . 1 1 64 64 ASP N N 81 125.396 125.396 122.652 2.744 18107 3001 1 7 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.984 -0.415 18107 3002 1 7 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.578 0.400 18107 3003 1 7 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.641 0.159 18107 3004 1 7 . 1 1 64 64 ASP H H 81 8.926 8.926 8.222 0.704 18107 3005 1 7 . 1 1 65 65 LEU N N 82 122.508 122.508 118.832 3.676 18107 3006 1 7 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.214 -0.376 18107 3007 1 7 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.922 0.899 18107 3008 1 7 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.643 0.552 18107 3009 1 7 . 1 1 65 65 LEU H H 82 8.281 8.281 8.213 0.068 18107 3010 1 7 . 1 1 66 66 LEU N N 83 119.413 119.413 120.123 -0.710 18107 3011 1 7 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.116 -0.044 18107 3012 1 7 . 1 1 66 66 LEU CA C 83 58.028 58.028 57.833 0.195 18107 3013 1 7 . 1 1 66 66 LEU CB C 83 41.351 41.351 39.836 1.515 18107 3014 1 7 . 1 1 66 66 LEU H H 83 8.149 8.149 8.031 0.118 18107 3015 1 7 . 1 1 67 67 GLU N N 84 119.941 119.941 118.531 1.410 18107 3016 1 7 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.764 0.082 18107 3017 1 7 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.039 -0.516 18107 3018 1 7 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.977 1.235 18107 3019 1 7 . 1 1 67 67 GLU H H 84 7.725 7.725 8.517 -0.792 18107 3020 1 7 . 1 1 68 68 LYS N N 85 119.400 119.400 119.852 -0.452 18107 3021 1 7 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.855 -0.054 18107 3022 1 7 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.418 1.402 18107 3023 1 7 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.272 0.643 18107 3024 1 7 . 1 1 68 68 LYS H H 85 8.117 8.117 8.060 0.057 18107 3025 1 7 . 1 1 69 69 PHE N N 86 117.969 117.969 119.441 -1.472 18107 3026 1 7 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.057 0.232 18107 3027 1 7 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.296 -0.427 18107 3028 1 7 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.781 -0.026 18107 3029 1 7 . 1 1 69 69 PHE H H 86 7.975 7.975 8.043 -0.068 18107 3030 1 7 . 1 1 70 70 ASN N N 87 118.904 118.904 117.293 1.611 18107 3031 1 7 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.287 0.074 18107 3032 1 7 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.660 -0.392 18107 3033 1 7 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.446 -0.348 18107 3034 1 7 . 1 1 70 70 ASN H H 87 8.259 8.259 7.752 0.507 18107 3035 1 7 . 1 1 71 71 PHE N N 88 121.068 121.068 118.853 2.215 18107 3036 1 7 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.199 1.067 18107 3037 1 7 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.604 1.183 18107 3038 1 7 . 1 1 71 71 PHE CB C 88 38.030 38.030 36.914 1.116 18107 3039 1 7 . 1 1 71 71 PHE H H 88 8.618 8.618 7.326 1.292 18107 3040 1 7 . 1 1 72 72 GLU N N 89 120.500 120.500 119.436 1.064 18107 3041 1 7 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.925 -0.072 18107 3042 1 7 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.244 1.253 18107 3043 1 7 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.157 0.354 18107 3044 1 7 . 1 1 72 72 GLU H H 89 8.709 8.709 8.670 0.039 18107 3045 1 7 . 1 1 73 73 ALA N N 90 123.117 123.117 122.012 1.105 18107 3046 1 7 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.934 0.104 18107 3047 1 7 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.705 0.296 18107 3048 1 7 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.913 0.035 18107 3049 1 7 . 1 1 73 73 ALA H H 90 8.158 8.158 7.825 0.333 18107 3050 1 7 . 1 1 74 74 ALA N N 91 122.919 122.919 121.255 1.664 18107 3051 1 7 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.124 -0.173 18107 3052 1 7 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.520 0.759 18107 3053 1 7 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.426 -0.760 18107 3054 1 7 . 1 1 74 74 ALA H H 91 7.841 7.841 8.065 -0.224 18107 3055 1 7 . 1 1 75 75 LEU N N 92 119.956 119.956 119.681 0.275 18107 3056 1 7 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.143 -0.096 18107 3057 1 7 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.377 0.083 18107 3058 1 7 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.867 0.292 18107 3059 1 7 . 1 1 75 75 LEU H H 92 8.091 8.091 8.377 -0.286 18107 3060 1 7 . 1 1 76 76 ALA N N 93 120.763 120.763 120.932 -0.169 18107 3061 1 7 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.104 0.026 18107 3062 1 7 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.304 0.100 18107 3063 1 7 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.058 -0.188 18107 3064 1 7 . 1 1 76 76 ALA H H 93 7.774 7.774 7.819 -0.045 18107 3065 1 7 . 1 1 77 77 THR N N 94 117.510 117.510 116.063 1.447 18107 3066 1 7 . 1 1 77 77 THR HA H 94 4.234 4.234 3.992 0.242 18107 3067 1 7 . 1 1 77 77 THR CA C 94 67.364 67.364 68.056 -0.692 18107 3068 1 7 . 1 1 77 77 THR CB C 94 68.779 68.779 68.775 0.004 18107 3069 1 7 . 1 1 77 77 THR H H 94 8.188 8.188 7.777 0.411 18107 3070 1 7 . 1 1 78 78 GLY N N 95 110.009 110.009 109.191 0.818 18107 3071 1 7 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.661 1.489 18107 3072 1 7 . 1 1 78 78 GLY H H 95 8.547 8.547 8.683 -0.136 18107 3073 1 7 . 1 1 79 79 ASP N N 96 121.634 121.634 122.526 -0.892 18107 3074 1 7 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.428 -0.160 18107 3075 1 7 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.059 0.877 18107 3076 1 7 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.867 -0.227 18107 3077 1 7 . 1 1 79 79 ASP H H 96 8.548 8.548 8.111 0.437 18107 3078 1 7 . 1 1 80 80 LEU N N 97 122.599 122.599 119.525 3.074 18107 3079 1 7 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.229 -0.221 18107 3080 1 7 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.337 0.105 18107 3081 1 7 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.831 0.098 18107 3082 1 7 . 1 1 80 80 LEU H H 97 7.618 7.618 7.645 -0.027 18107 3083 1 7 . 1 1 81 81 LEU N N 98 119.913 119.913 117.653 2.260 18107 3084 1 7 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.629 -0.598 18107 3085 1 7 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.562 0.245 18107 3086 1 7 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.353 1.008 18107 3087 1 7 . 1 1 81 81 LEU H H 98 8.224 8.224 7.714 0.510 18107 3088 1 7 . 1 1 82 82 LEU N N 99 118.616 118.616 121.081 -2.465 18107 3089 1 7 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.845 0.130 18107 3090 1 7 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.043 0.026 18107 3091 1 7 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.625 0.540 18107 3092 1 7 . 1 1 82 82 LEU H H 99 8.359 8.359 8.583 -0.224 18107 3093 1 7 . 1 1 83 83 LYS N N 100 118.988 118.988 119.194 -0.206 18107 3094 1 7 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.957 -0.073 18107 3095 1 7 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.997 0.270 18107 3096 1 7 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.088 0.083 18107 3097 1 7 . 1 1 83 83 LYS H H 100 7.566 7.566 7.731 -0.165 18107 3098 1 7 . 1 1 84 84 ASP N N 101 121.591 121.591 120.884 0.707 18107 3099 1 7 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.433 -0.036 18107 3100 1 7 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.247 0.449 18107 3101 1 7 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.762 -0.357 18107 3102 1 7 . 1 1 84 84 ASP H H 101 7.743 7.743 7.810 -0.067 18107 3103 1 7 . 1 1 85 85 LEU N N 102 123.215 123.215 121.848 1.367 18107 3104 1 7 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.928 -0.078 18107 3105 1 7 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.865 0.976 18107 3106 1 7 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.979 0.593 18107 3107 1 7 . 1 1 85 85 LEU H H 102 8.760 8.760 8.381 0.379 18107 3108 1 7 . 1 1 86 86 LYS N N 103 119.648 119.648 118.458 1.190 18107 3109 1 7 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.943 0.125 18107 3110 1 7 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.719 -0.927 18107 3111 1 7 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.922 -0.791 18107 3112 1 7 . 1 1 86 86 LYS H H 103 8.883 8.883 7.749 1.134 18107 3113 1 7 . 1 1 87 87 ALA N N 104 122.844 122.844 121.698 1.146 18107 3114 1 7 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.234 -0.074 18107 3115 1 7 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.813 0.487 18107 3116 1 7 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.418 -0.398 18107 3117 1 7 . 1 1 87 87 ALA H H 104 7.721 7.721 7.615 0.106 18107 3118 1 7 . 1 1 88 88 LEU N N 105 120.380 120.380 118.790 1.590 18107 3119 1 7 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.062 -0.070 18107 3120 1 7 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.017 0.169 18107 3121 1 7 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.264 1.540 18107 3122 1 7 . 1 1 88 88 LEU H H 105 7.762 7.762 8.353 -0.591 18107 3123 1 7 . 1 1 89 89 GLN N N 106 118.781 118.781 119.504 -0.723 18107 3124 1 7 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.868 -0.283 18107 3125 1 7 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.565 0.412 18107 3126 1 7 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.556 1.071 18107 3127 1 7 . 1 1 89 89 GLN H H 106 8.658 8.658 8.498 0.160 18107 3128 1 7 . 1 1 90 90 LYS N N 107 118.977 118.977 119.760 -0.783 18107 3129 1 7 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.068 -0.120 18107 3130 1 7 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.409 0.086 18107 3131 1 7 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.047 0.376 18107 3132 1 7 . 1 1 90 90 LYS H H 107 7.786 7.786 7.713 0.073 18107 3133 1 7 . 1 1 91 91 ARG N N 108 117.470 117.470 120.412 -2.942 18107 3134 1 7 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.078 -0.075 18107 3135 1 7 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.548 0.034 18107 3136 1 7 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.261 1.367 18107 3137 1 7 . 1 1 91 91 ARG H H 108 7.469 7.469 7.641 -0.172 18107 3138 1 7 . 1 1 92 92 VAL N N 109 117.865 117.865 119.980 -2.115 18107 3139 1 7 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.730 -0.248 18107 3140 1 7 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.471 0.140 18107 3141 1 7 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.848 0.363 18107 3142 1 7 . 1 1 92 92 VAL H H 109 8.084 8.084 8.354 -0.270 18107 3143 1 7 . 1 1 93 93 GLN N N 110 119.617 119.617 118.018 1.599 18107 3144 1 7 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.101 -0.225 18107 3145 1 7 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.709 0.525 18107 3146 1 7 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.743 0.281 18107 3147 1 7 . 1 1 93 93 GLN H H 110 8.512 8.512 8.380 0.132 18107 3148 1 7 . 1 1 94 94 ASP N N 111 117.490 117.490 120.041 -2.551 18107 3149 1 7 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.581 -0.090 18107 3150 1 7 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.214 -0.933 18107 3151 1 7 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.616 0.219 18107 3152 1 7 . 1 1 94 94 ASP H H 111 8.194 8.194 8.456 -0.262 18107 3153 1 7 . 1 1 95 95 SER N N 112 116.625 116.625 113.640 2.985 18107 3154 1 7 . 1 1 95 95 SER HA H 112 4.288 4.288 4.173 0.115 18107 3155 1 7 . 1 1 95 95 SER CA C 112 59.770 59.770 60.374 -0.604 18107 3156 1 7 . 1 1 95 95 SER CB C 112 63.990 63.990 63.445 0.545 18107 3157 1 7 . 1 1 95 95 SER H H 112 7.479 7.479 7.828 -0.349 18107 3158 1 8 . 1 1 2 2 THR HA H 19 4.222 4.222 4.212 0.010 18107 3159 1 8 . 1 1 2 2 THR CA C 19 63.013 63.013 64.604 -1.591 18107 3160 1 8 . 1 1 2 2 THR CB C 19 69.504 69.504 69.077 0.427 18107 3161 1 8 . 1 1 3 3 ALA N N 20 125.065 125.065 123.819 1.246 18107 3162 1 8 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.080 0.070 18107 3163 1 8 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.026 -0.070 18107 3164 1 8 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.016 0.981 18107 3165 1 8 . 1 1 3 3 ALA H H 20 8.404 8.404 8.533 -0.129 18107 3166 1 8 . 1 1 4 4 THR N N 21 109.840 109.840 111.578 -1.738 18107 3167 1 8 . 1 1 4 4 THR HA H 21 4.235 4.235 4.033 0.202 18107 3168 1 8 . 1 1 4 4 THR CA C 21 64.668 64.668 65.066 -0.398 18107 3169 1 8 . 1 1 4 4 THR CB C 21 68.923 68.923 67.362 1.560 18107 3170 1 8 . 1 1 4 4 THR H H 21 7.910 7.910 8.341 -0.431 18107 3171 1 8 . 1 1 5 5 GLN N N 22 122.037 122.037 118.843 3.194 18107 3172 1 8 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.195 -0.144 18107 3173 1 8 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.414 -0.250 18107 3174 1 8 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.553 0.004 18107 3175 1 8 . 1 1 5 5 GLN H H 22 7.953 7.953 7.834 0.119 18107 3176 1 8 . 1 1 6 6 ARG N N 23 118.944 118.944 120.437 -1.493 18107 3177 1 8 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.118 -0.012 18107 3178 1 8 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.038 0.054 18107 3179 1 8 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.251 -0.104 18107 3180 1 8 . 1 1 6 6 ARG H H 23 7.922 7.922 7.501 0.421 18107 3181 1 8 . 1 1 7 7 PHE N N 24 116.543 116.543 115.429 1.114 18107 3182 1 8 . 1 1 7 7 PHE H H 24 8.276 8.276 7.685 0.591 18107 3183 1 8 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.604 -0.109 18107 3184 1 8 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.781 1.239 18107 3185 1 8 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.659 -0.607 18107 3186 1 8 . 1 1 9 9 GLU N N 26 118.298 118.298 119.395 -1.097 18107 3187 1 8 . 1 1 9 9 GLU HA H 26 3.990 3.990 3.928 0.062 18107 3188 1 8 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.832 -0.454 18107 3189 1 8 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.282 0.030 18107 3190 1 8 . 1 1 9 9 GLU H H 26 8.148 8.148 8.542 -0.394 18107 3191 1 8 . 1 1 10 10 ILE N N 27 121.761 121.761 116.600 5.161 18107 3192 1 8 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.779 0.185 18107 3193 1 8 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.592 -0.129 18107 3194 1 8 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.702 0.548 18107 3195 1 8 . 1 1 10 10 ILE H H 27 8.165 8.165 8.134 0.031 18107 3196 1 8 . 1 1 11 11 GLU N N 28 122.042 122.042 121.108 0.934 18107 3197 1 8 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.030 -0.193 18107 3198 1 8 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.766 0.862 18107 3199 1 8 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.223 0.783 18107 3200 1 8 . 1 1 11 11 GLU H H 28 8.541 8.541 7.969 0.572 18107 3201 1 8 . 1 1 12 12 LYS N N 29 117.967 117.967 119.466 -1.499 18107 3202 1 8 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.074 -0.132 18107 3203 1 8 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.490 0.251 18107 3204 1 8 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.178 0.274 18107 3205 1 8 . 1 1 12 12 LYS H H 29 7.517 7.517 7.849 -0.332 18107 3206 1 8 . 1 1 13 13 PHE N N 30 122.144 122.144 120.310 1.834 18107 3207 1 8 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.293 0.136 18107 3208 1 8 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.109 -0.322 18107 3209 1 8 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.722 0.489 18107 3210 1 8 . 1 1 13 13 PHE H H 30 8.066 8.066 7.960 0.106 18107 3211 1 8 . 1 1 14 14 LEU N N 31 119.404 119.404 118.433 0.971 18107 3212 1 8 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.905 -0.171 18107 3213 1 8 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.054 -0.290 18107 3214 1 8 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.309 0.127 18107 3215 1 8 . 1 1 14 14 LEU H H 31 8.739 8.739 8.156 0.583 18107 3216 1 8 . 1 1 15 15 LEU N N 32 121.073 121.073 117.869 3.204 18107 3217 1 8 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.145 -0.185 18107 3218 1 8 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.220 0.112 18107 3219 1 8 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.256 0.706 18107 3220 1 8 . 1 1 15 15 LEU H H 32 7.736 7.736 7.696 0.040 18107 3221 1 8 . 1 1 16 16 HIS N N 33 118.629 118.629 119.080 -0.451 18107 3222 1 8 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.334 0.012 18107 3223 1 8 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.332 1.313 18107 3224 1 8 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.026 0.275 18107 3225 1 8 . 1 1 16 16 HIS H H 33 7.681 7.681 8.330 -0.649 18107 3226 1 8 . 1 1 17 17 ILE N N 34 118.602 118.602 119.452 -0.850 18107 3227 1 8 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.545 0.260 18107 3228 1 8 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.603 -1.096 18107 3229 1 8 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.169 -0.724 18107 3230 1 8 . 1 1 17 17 ILE H H 34 8.502 8.502 8.598 -0.096 18107 3231 1 8 . 1 1 18 18 THR N N 35 117.776 117.776 116.502 1.274 18107 3232 1 8 . 1 1 18 18 THR HA H 35 4.116 4.116 3.881 0.235 18107 3233 1 8 . 1 1 18 18 THR CA C 35 68.694 68.694 67.555 1.139 18107 3234 1 8 . 1 1 18 18 THR CB C 35 68.694 68.694 68.603 0.091 18107 3235 1 8 . 1 1 18 18 THR H H 35 7.726 7.726 7.749 -0.023 18107 3236 1 8 . 1 1 19 19 HIS N N 36 118.130 118.130 120.489 -2.359 18107 3237 1 8 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.228 0.173 18107 3238 1 8 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.220 -0.434 18107 3239 1 8 . 1 1 19 19 HIS CB C 36 29.070 29.070 30.006 -0.936 18107 3240 1 8 . 1 1 19 19 HIS H H 36 7.177 7.177 7.897 -0.720 18107 3241 1 8 . 1 1 20 20 GLU N N 37 119.301 119.301 118.333 0.968 18107 3242 1 8 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.156 -0.106 18107 3243 1 8 . 1 1 20 20 GLU CA C 37 59.557 59.557 58.936 0.621 18107 3244 1 8 . 1 1 20 20 GLU CB C 37 30.056 30.056 28.941 1.115 18107 3245 1 8 . 1 1 20 20 GLU H H 37 7.335 7.335 7.986 -0.651 18107 3246 1 8 . 1 1 21 21 VAL N N 38 122.744 122.744 120.330 2.414 18107 3247 1 8 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.653 -0.231 18107 3248 1 8 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.514 0.535 18107 3249 1 8 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.318 0.055 18107 3250 1 8 . 1 1 21 21 VAL H H 38 8.385 8.385 7.664 0.721 18107 3251 1 8 . 1 1 22 22 ASP N N 39 120.471 120.471 120.404 0.067 18107 3252 1 8 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.562 -0.415 18107 3253 1 8 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.356 0.370 18107 3254 1 8 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.504 -0.117 18107 3255 1 8 . 1 1 22 22 ASP H H 39 8.054 8.054 7.773 0.281 18107 3256 1 8 . 1 1 23 23 ASP N N 40 118.541 118.541 120.065 -1.524 18107 3257 1 8 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.384 0.036 18107 3258 1 8 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.483 0.003 18107 3259 1 8 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.302 -0.128 18107 3260 1 8 . 1 1 23 23 ASP H H 40 7.587 7.587 7.805 -0.218 18107 3261 1 8 . 1 1 24 24 LEU N N 41 123.241 123.241 116.904 6.337 18107 3262 1 8 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.170 -0.002 18107 3263 1 8 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.170 -0.463 18107 3264 1 8 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.061 0.848 18107 3265 1 8 . 1 1 24 24 LEU H H 41 8.032 8.032 8.274 -0.242 18107 3266 1 8 . 1 1 25 25 GLU N N 42 117.508 117.508 120.044 -2.536 18107 3267 1 8 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.001 -0.081 18107 3268 1 8 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.268 -0.186 18107 3269 1 8 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.739 0.124 18107 3270 1 8 . 1 1 25 25 GLU H H 42 8.010 8.010 8.453 -0.443 18107 3271 1 8 . 1 1 26 26 LYS N N 43 117.032 117.032 115.167 1.865 18107 3272 1 8 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.341 -0.098 18107 3273 1 8 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.620 0.631 18107 3274 1 8 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.317 1.190 18107 3275 1 8 . 1 1 26 26 LYS H H 43 7.596 7.596 7.737 -0.141 18107 3276 1 8 . 1 1 27 27 THR N N 44 110.288 110.288 112.511 -2.223 18107 3277 1 8 . 1 1 27 27 THR HA H 44 4.271 4.271 4.431 -0.160 18107 3278 1 8 . 1 1 27 27 THR CA C 44 62.820 62.820 63.478 -0.658 18107 3279 1 8 . 1 1 27 27 THR CB C 44 70.733 70.733 70.180 0.553 18107 3280 1 8 . 1 1 27 27 THR H H 44 8.227 8.227 7.309 0.918 18107 3281 1 8 . 1 1 28 28 GLY N N 45 112.257 112.257 107.384 4.873 18107 3282 1 8 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.074 0.587 18107 3283 1 8 . 1 1 28 28 GLY H H 45 8.727 8.727 8.260 0.467 18107 3284 1 8 . 1 1 29 29 ASN N N 46 118.416 118.416 118.455 -0.039 18107 3285 1 8 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.229 0.240 18107 3286 1 8 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.959 0.338 18107 3287 1 8 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.585 2.525 18107 3288 1 8 . 1 1 29 29 ASN H H 46 7.716 7.716 8.249 -0.533 18107 3289 1 8 . 1 1 30 30 LYS N N 47 126.481 126.481 118.838 7.643 18107 3290 1 8 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.122 -0.134 18107 3291 1 8 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.495 0.697 18107 3292 1 8 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.514 -0.001 18107 3293 1 8 . 1 1 30 30 LYS H H 47 8.770 8.770 8.633 0.137 18107 3294 1 8 . 1 1 31 31 ASP N N 48 121.710 121.710 115.538 6.172 18107 3295 1 8 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.886 -0.419 18107 3296 1 8 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.268 3.367 18107 3297 1 8 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.572 -1.128 18107 3298 1 8 . 1 1 31 31 ASP H H 48 8.229 8.229 8.182 0.047 18107 3299 1 8 . 1 1 32 32 GLU N N 49 121.695 121.695 121.283 0.412 18107 3300 1 8 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.072 0.285 18107 3301 1 8 . 1 1 32 32 GLU H H 49 8.048 8.048 8.500 -0.452 18107 3302 1 8 . 1 1 33 33 LYS N N 50 120.099 120.099 119.830 0.269 18107 3303 1 8 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.910 -0.259 18107 3304 1 8 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.511 0.326 18107 3305 1 8 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.838 1.129 18107 3306 1 8 . 1 1 33 33 LYS H H 50 7.975 7.975 8.541 -0.566 18107 3307 1 8 . 1 1 34 34 ALA N N 51 118.238 118.238 119.629 -1.391 18107 3308 1 8 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.982 0.007 18107 3309 1 8 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.997 0.396 18107 3310 1 8 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.297 -0.085 18107 3311 1 8 . 1 1 34 34 ALA H H 51 7.614 7.614 8.306 -0.692 18107 3312 1 8 . 1 1 35 35 ARG N N 52 120.311 120.311 119.552 0.759 18107 3313 1 8 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.148 1.743 18107 3314 1 8 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.810 1.240 18107 3315 1 8 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.502 -0.091 18107 3316 1 8 . 1 1 35 35 ARG H H 52 7.883 7.883 7.635 0.248 18107 3317 1 8 . 1 1 36 36 LEU N N 53 119.541 119.541 119.119 0.422 18107 3318 1 8 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.136 -0.190 18107 3319 1 8 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.154 0.335 18107 3320 1 8 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.149 1.293 18107 3321 1 8 . 1 1 36 36 LEU H H 53 8.553 8.553 8.540 0.013 18107 3322 1 8 . 1 1 37 37 LEU N N 54 117.789 117.789 120.238 -2.449 18107 3323 1 8 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.869 0.196 18107 3324 1 8 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.161 0.481 18107 3325 1 8 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.336 -0.017 18107 3326 1 8 . 1 1 37 37 LEU H H 54 8.341 8.341 8.313 0.028 18107 3327 1 8 . 1 1 38 38 ARG N N 55 121.176 121.176 118.574 2.602 18107 3328 1 8 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.036 0.032 18107 3329 1 8 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.995 1.330 18107 3330 1 8 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.940 0.130 18107 3331 1 8 . 1 1 38 38 ARG H H 55 7.864 7.864 7.748 0.116 18107 3332 1 8 . 1 1 39 39 GLU N N 56 119.256 119.256 120.373 -1.117 18107 3333 1 8 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.125 -0.066 18107 3334 1 8 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.686 0.208 18107 3335 1 8 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.451 0.450 18107 3336 1 8 . 1 1 39 39 GLU H H 56 8.390 8.390 7.651 0.739 18107 3337 1 8 . 1 1 40 40 LEU N N 57 120.312 120.312 117.933 2.379 18107 3338 1 8 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.224 -0.096 18107 3339 1 8 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.409 0.212 18107 3340 1 8 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.328 0.901 18107 3341 1 8 . 1 1 40 40 LEU H H 57 8.802 8.802 8.201 0.601 18107 3342 1 8 . 1 1 41 41 THR N N 58 117.791 117.791 117.354 0.437 18107 3343 1 8 . 1 1 41 41 THR HA H 58 4.341 4.341 3.844 0.497 18107 3344 1 8 . 1 1 41 41 THR CA C 58 67.542 67.542 68.234 -0.692 18107 3345 1 8 . 1 1 41 41 THR CB C 58 69.157 69.157 68.764 0.393 18107 3346 1 8 . 1 1 41 41 THR H H 58 8.182 8.182 7.850 0.332 18107 3347 1 8 . 1 1 42 42 VAL N N 59 123.554 123.554 121.338 2.216 18107 3348 1 8 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.484 0.239 18107 3349 1 8 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.845 0.010 18107 3350 1 8 . 1 1 42 42 VAL H H 59 7.978 7.978 8.282 -0.304 18107 3351 1 8 . 1 1 43 43 SER N N 60 116.859 116.859 114.196 2.663 18107 3352 1 8 . 1 1 43 43 SER HA H 60 4.155 4.155 1.802 2.353 18107 3353 1 8 . 1 1 43 43 SER CA C 60 63.412 63.412 61.316 2.096 18107 3354 1 8 . 1 1 43 43 SER H H 60 7.715 7.715 7.608 0.107 18107 3355 1 8 . 1 1 44 44 GLU N N 61 124.072 124.072 120.727 3.345 18107 3356 1 8 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.728 -0.102 18107 3357 1 8 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.181 1.321 18107 3358 1 8 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.537 0.257 18107 3359 1 8 . 1 1 44 44 GLU H H 61 8.517 8.517 8.204 0.313 18107 3360 1 8 . 1 1 45 45 ALA N N 62 120.467 120.467 122.124 -1.657 18107 3361 1 8 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.047 0.102 18107 3362 1 8 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.046 0.180 18107 3363 1 8 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.303 -0.458 18107 3364 1 8 . 1 1 45 45 ALA H H 62 7.853 7.853 7.582 0.271 18107 3365 1 8 . 1 1 46 46 PHE N N 63 119.936 119.936 117.271 2.665 18107 3366 1 8 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.231 0.034 18107 3367 1 8 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.802 2.734 18107 3368 1 8 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.488 1.704 18107 3369 1 8 . 1 1 46 46 PHE H H 63 7.946 7.946 7.053 0.893 18107 3370 1 8 . 1 1 47 47 ILE N N 64 122.630 122.630 120.439 2.191 18107 3371 1 8 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.588 0.032 18107 3372 1 8 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.516 1.842 18107 3373 1 8 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.865 1.516 18107 3374 1 8 . 1 1 47 47 ILE H H 64 8.595 8.595 8.034 0.561 18107 3375 1 8 . 1 1 48 48 GLU N N 65 120.257 120.257 118.986 1.271 18107 3376 1 8 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.011 0.578 18107 3377 1 8 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.950 -0.594 18107 3378 1 8 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.506 0.094 18107 3379 1 8 . 1 1 48 48 GLU H H 65 9.078 9.078 8.023 1.055 18107 3380 1 8 . 1 1 49 49 GLY N N 66 108.368 108.368 107.669 0.699 18107 3381 1 8 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.722 0.431 18107 3382 1 8 . 1 1 49 49 GLY H H 66 8.379 8.379 8.427 -0.048 18107 3383 1 8 . 1 1 50 50 SER N N 67 119.358 119.358 117.327 2.031 18107 3384 1 8 . 1 1 50 50 SER HA H 67 3.988 3.988 4.090 -0.102 18107 3385 1 8 . 1 1 50 50 SER CA C 67 62.501 62.501 61.297 1.204 18107 3386 1 8 . 1 1 50 50 SER CB C 67 63.441 63.441 63.164 0.277 18107 3387 1 8 . 1 1 50 50 SER H H 67 7.694 7.694 8.294 -0.600 18107 3388 1 8 . 1 1 51 51 ARG N N 68 121.212 121.212 120.757 0.455 18107 3389 1 8 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.143 -0.235 18107 3390 1 8 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.616 1.425 18107 3391 1 8 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.257 0.500 18107 3392 1 8 . 1 1 51 51 ARG H H 68 8.684 8.684 8.081 0.603 18107 3393 1 8 . 1 1 52 52 GLY N N 69 124.556 124.556 106.448 18.108 18107 3394 1 8 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.770 0.493 18107 3395 1 8 . 1 1 52 52 GLY H H 69 8.068 8.068 8.086 -0.018 18107 3396 1 8 . 1 1 53 53 TYR N N 70 123.123 123.123 122.645 0.478 18107 3397 1 8 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.142 -0.073 18107 3398 1 8 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.587 -0.767 18107 3399 1 8 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.493 -0.746 18107 3400 1 8 . 1 1 53 53 TYR H H 70 7.337 7.337 7.714 -0.377 18107 3401 1 8 . 1 1 54 54 PHE N N 71 117.809 117.809 118.195 -0.386 18107 3402 1 8 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.925 -0.258 18107 3403 1 8 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.619 -0.130 18107 3404 1 8 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.806 0.943 18107 3405 1 8 . 1 1 54 54 PHE H H 71 7.965 7.965 7.286 0.679 18107 3406 1 8 . 1 1 55 55 GLN N N 72 115.519 115.519 117.955 -2.436 18107 3407 1 8 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.067 -0.209 18107 3408 1 8 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.167 0.441 18107 3409 1 8 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.479 0.517 18107 3410 1 8 . 1 1 55 55 GLN H H 72 8.522 8.522 7.978 0.544 18107 3411 1 8 . 1 1 56 56 ARG N N 73 118.947 118.947 118.713 0.234 18107 3412 1 8 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.079 -0.207 18107 3413 1 8 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.356 1.565 18107 3414 1 8 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.787 0.299 18107 3415 1 8 . 1 1 56 56 ARG H H 73 7.677 7.677 7.563 0.114 18107 3416 1 8 . 1 1 57 57 GLU N N 74 121.204 121.204 120.902 0.302 18107 3417 1 8 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.927 -0.245 18107 3418 1 8 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.226 -0.292 18107 3419 1 8 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.926 0.767 18107 3420 1 8 . 1 1 57 57 GLU H H 74 7.897 7.897 8.227 -0.330 18107 3421 1 8 . 1 1 58 58 LEU N N 75 115.348 115.348 119.315 -3.967 18107 3422 1 8 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.163 -0.103 18107 3423 1 8 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.891 -0.996 18107 3424 1 8 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.142 0.188 18107 3425 1 8 . 1 1 58 58 LEU H H 75 7.746 7.746 7.799 -0.053 18107 3426 1 8 . 1 1 59 59 LYS N N 76 117.429 117.429 117.129 0.300 18107 3427 1 8 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.254 -0.054 18107 3428 1 8 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.223 0.385 18107 3429 1 8 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.695 0.188 18107 3430 1 8 . 1 1 59 59 LYS H H 76 7.233 7.233 7.850 -0.617 18107 3431 1 8 . 1 1 60 60 ARG N N 77 120.555 120.555 118.562 1.993 18107 3432 1 8 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.102 0.024 18107 3433 1 8 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.384 -0.685 18107 3434 1 8 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.524 1.274 18107 3435 1 8 . 1 1 60 60 ARG H H 77 7.701 7.701 7.842 -0.141 18107 3436 1 8 . 1 1 61 61 THR N N 78 111.768 111.768 107.268 4.500 18107 3437 1 8 . 1 1 61 61 THR HA H 78 4.414 4.414 4.069 0.345 18107 3438 1 8 . 1 1 61 61 THR CA C 78 62.557 62.557 64.146 -1.589 18107 3439 1 8 . 1 1 61 61 THR CB C 78 69.221 69.221 68.214 1.007 18107 3440 1 8 . 1 1 61 61 THR H H 78 8.638 8.638 8.160 0.478 18107 3441 1 8 . 1 1 62 62 ASP N N 79 120.616 120.616 119.092 1.524 18107 3442 1 8 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.878 -0.246 18107 3443 1 8 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.568 -1.606 18107 3444 1 8 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.307 -1.061 18107 3445 1 8 . 1 1 62 62 ASP H H 79 8.465 8.465 8.312 0.153 18107 3446 1 8 . 1 1 63 63 LEU N N 80 120.063 120.063 116.861 3.202 18107 3447 1 8 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.209 -0.964 18107 3448 1 8 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.846 1.366 18107 3449 1 8 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.908 -2.113 18107 3450 1 8 . 1 1 63 63 LEU H H 80 7.157 7.157 7.485 -0.328 18107 3451 1 8 . 1 1 64 64 ASP N N 81 125.396 125.396 122.974 2.422 18107 3452 1 8 . 1 1 64 64 ASP HA H 81 4.569 4.569 5.031 -0.462 18107 3453 1 8 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.896 1.081 18107 3454 1 8 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.621 -1.821 18107 3455 1 8 . 1 1 64 64 ASP H H 81 8.926 8.926 8.167 0.759 18107 3456 1 8 . 1 1 65 65 LEU N N 82 122.508 122.508 119.557 2.951 18107 3457 1 8 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.241 -0.403 18107 3458 1 8 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.135 0.687 18107 3459 1 8 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.615 0.580 18107 3460 1 8 . 1 1 65 65 LEU H H 82 8.281 8.281 8.237 0.044 18107 3461 1 8 . 1 1 66 66 LEU N N 83 119.413 119.413 120.922 -1.509 18107 3462 1 8 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.010 0.062 18107 3463 1 8 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.472 -0.444 18107 3464 1 8 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.450 0.901 18107 3465 1 8 . 1 1 66 66 LEU H H 83 8.149 8.149 8.181 -0.032 18107 3466 1 8 . 1 1 67 67 GLU N N 84 119.941 119.941 118.285 1.656 18107 3467 1 8 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.751 0.095 18107 3468 1 8 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.733 -1.210 18107 3469 1 8 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.269 0.943 18107 3470 1 8 . 1 1 67 67 GLU H H 84 7.725 7.725 8.563 -0.838 18107 3471 1 8 . 1 1 68 68 LYS N N 85 119.400 119.400 120.146 -0.746 18107 3472 1 8 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.768 0.033 18107 3473 1 8 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.609 1.211 18107 3474 1 8 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.282 0.633 18107 3475 1 8 . 1 1 68 68 LYS H H 85 8.117 8.117 7.954 0.163 18107 3476 1 8 . 1 1 69 69 PHE N N 86 117.969 117.969 119.739 -1.770 18107 3477 1 8 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.147 0.142 18107 3478 1 8 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.519 -0.650 18107 3479 1 8 . 1 1 69 69 PHE CB C 86 38.755 38.755 39.012 -0.257 18107 3480 1 8 . 1 1 69 69 PHE H H 86 7.975 7.975 8.022 -0.047 18107 3481 1 8 . 1 1 70 70 ASN N N 87 118.904 118.904 118.432 0.472 18107 3482 1 8 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.440 -0.079 18107 3483 1 8 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.285 -0.017 18107 3484 1 8 . 1 1 70 70 ASN CB C 87 38.098 38.098 37.835 0.263 18107 3485 1 8 . 1 1 70 70 ASN H H 87 8.259 8.259 7.400 0.859 18107 3486 1 8 . 1 1 71 71 PHE N N 88 121.068 121.068 118.730 2.338 18107 3487 1 8 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.317 0.949 18107 3488 1 8 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.350 1.437 18107 3489 1 8 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.150 0.880 18107 3490 1 8 . 1 1 71 71 PHE H H 88 8.618 8.618 7.471 1.147 18107 3491 1 8 . 1 1 72 72 GLU N N 89 120.500 120.500 119.287 1.213 18107 3492 1 8 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.784 0.069 18107 3493 1 8 . 1 1 72 72 GLU CA C 89 60.497 60.497 58.905 1.592 18107 3494 1 8 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.115 0.396 18107 3495 1 8 . 1 1 72 72 GLU H H 89 8.709 8.709 8.674 0.035 18107 3496 1 8 . 1 1 73 73 ALA N N 90 123.117 123.117 122.111 1.006 18107 3497 1 8 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.074 -0.036 18107 3498 1 8 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.807 0.194 18107 3499 1 8 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.137 -0.189 18107 3500 1 8 . 1 1 73 73 ALA H H 90 8.158 8.158 7.908 0.250 18107 3501 1 8 . 1 1 74 74 ALA N N 91 122.919 122.919 121.196 1.723 18107 3502 1 8 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.172 -0.221 18107 3503 1 8 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.586 0.693 18107 3504 1 8 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.349 -0.683 18107 3505 1 8 . 1 1 74 74 ALA H H 91 7.841 7.841 8.087 -0.246 18107 3506 1 8 . 1 1 75 75 LEU N N 92 119.956 119.956 119.622 0.334 18107 3507 1 8 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.118 -0.071 18107 3508 1 8 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.118 0.341 18107 3509 1 8 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.825 0.334 18107 3510 1 8 . 1 1 75 75 LEU H H 92 8.091 8.091 8.328 -0.237 18107 3511 1 8 . 1 1 76 76 ALA N N 93 120.763 120.763 120.875 -0.112 18107 3512 1 8 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.101 0.029 18107 3513 1 8 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.355 0.049 18107 3514 1 8 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.150 -0.280 18107 3515 1 8 . 1 1 76 76 ALA H H 93 7.774 7.774 7.916 -0.142 18107 3516 1 8 . 1 1 77 77 THR N N 94 117.510 117.510 115.506 2.004 18107 3517 1 8 . 1 1 77 77 THR HA H 94 4.234 4.234 4.097 0.137 18107 3518 1 8 . 1 1 77 77 THR CA C 94 67.364 67.364 66.927 0.437 18107 3519 1 8 . 1 1 77 77 THR CB C 94 68.779 68.779 68.758 0.021 18107 3520 1 8 . 1 1 77 77 THR H H 94 8.188 8.188 7.803 0.385 18107 3521 1 8 . 1 1 78 78 GLY N N 95 110.009 110.009 109.476 0.533 18107 3522 1 8 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.691 1.459 18107 3523 1 8 . 1 1 78 78 GLY H H 95 8.547 8.547 8.869 -0.322 18107 3524 1 8 . 1 1 79 79 ASP N N 96 121.634 121.634 122.847 -1.213 18107 3525 1 8 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.449 -0.181 18107 3526 1 8 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.299 0.637 18107 3527 1 8 . 1 1 79 79 ASP CB C 96 40.640 40.640 41.025 -0.385 18107 3528 1 8 . 1 1 79 79 ASP H H 96 8.548 8.548 8.025 0.523 18107 3529 1 8 . 1 1 80 80 LEU N N 97 122.599 122.599 119.185 3.414 18107 3530 1 8 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.143 -0.135 18107 3531 1 8 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.708 -0.266 18107 3532 1 8 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.608 0.321 18107 3533 1 8 . 1 1 80 80 LEU H H 97 7.618 7.618 7.593 0.025 18107 3534 1 8 . 1 1 81 81 LEU N N 98 119.913 119.913 117.623 2.290 18107 3535 1 8 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.301 -0.270 18107 3536 1 8 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.658 0.149 18107 3537 1 8 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.274 1.087 18107 3538 1 8 . 1 1 81 81 LEU H H 98 8.224 8.224 7.737 0.487 18107 3539 1 8 . 1 1 82 82 LEU N N 99 118.616 118.616 120.959 -2.343 18107 3540 1 8 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.848 0.127 18107 3541 1 8 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.020 0.049 18107 3542 1 8 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.669 0.496 18107 3543 1 8 . 1 1 82 82 LEU H H 99 8.359 8.359 8.540 -0.181 18107 3544 1 8 . 1 1 83 83 LYS N N 100 118.988 118.988 118.841 0.147 18107 3545 1 8 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.958 -0.074 18107 3546 1 8 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.931 0.336 18107 3547 1 8 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.095 0.076 18107 3548 1 8 . 1 1 83 83 LYS H H 100 7.566 7.566 7.833 -0.267 18107 3549 1 8 . 1 1 84 84 ASP N N 101 121.591 121.591 120.858 0.733 18107 3550 1 8 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.488 -0.091 18107 3551 1 8 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.099 0.597 18107 3552 1 8 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.843 -0.438 18107 3553 1 8 . 1 1 84 84 ASP H H 101 7.743 7.743 7.895 -0.152 18107 3554 1 8 . 1 1 85 85 LEU N N 102 123.215 123.215 120.584 2.631 18107 3555 1 8 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.865 -0.015 18107 3556 1 8 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.418 1.423 18107 3557 1 8 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.917 0.654 18107 3558 1 8 . 1 1 85 85 LEU H H 102 8.760 8.760 8.393 0.367 18107 3559 1 8 . 1 1 86 86 LYS N N 103 119.648 119.648 119.122 0.526 18107 3560 1 8 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.972 0.096 18107 3561 1 8 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.173 -0.381 18107 3562 1 8 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.219 -1.087 18107 3563 1 8 . 1 1 86 86 LYS H H 103 8.883 8.883 7.780 1.103 18107 3564 1 8 . 1 1 87 87 ALA N N 104 122.844 122.844 121.521 1.323 18107 3565 1 8 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.138 0.022 18107 3566 1 8 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.827 0.473 18107 3567 1 8 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.146 -0.126 18107 3568 1 8 . 1 1 87 87 ALA H H 104 7.721 7.721 7.683 0.038 18107 3569 1 8 . 1 1 88 88 LEU N N 105 120.380 120.380 118.729 1.651 18107 3570 1 8 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.038 -0.046 18107 3571 1 8 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.066 0.120 18107 3572 1 8 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.258 1.546 18107 3573 1 8 . 1 1 88 88 LEU H H 105 7.762 7.762 8.136 -0.374 18107 3574 1 8 . 1 1 89 89 GLN N N 106 118.781 118.781 119.443 -0.662 18107 3575 1 8 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.894 -0.309 18107 3576 1 8 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.546 0.431 18107 3577 1 8 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.497 1.130 18107 3578 1 8 . 1 1 89 89 GLN H H 106 8.658 8.658 7.997 0.661 18107 3579 1 8 . 1 1 90 90 LYS N N 107 118.977 118.977 118.686 0.291 18107 3580 1 8 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.103 -0.155 18107 3581 1 8 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.501 0.994 18107 3582 1 8 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.663 0.760 18107 3583 1 8 . 1 1 90 90 LYS H H 107 7.786 7.786 7.704 0.082 18107 3584 1 8 . 1 1 91 91 ARG N N 108 117.470 117.470 119.889 -2.419 18107 3585 1 8 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.105 -0.102 18107 3586 1 8 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.364 0.218 18107 3587 1 8 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.289 1.339 18107 3588 1 8 . 1 1 91 91 ARG H H 108 7.469 7.469 7.685 -0.216 18107 3589 1 8 . 1 1 92 92 VAL N N 109 117.865 117.865 119.060 -1.195 18107 3590 1 8 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.761 -0.279 18107 3591 1 8 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.010 0.602 18107 3592 1 8 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.464 0.747 18107 3593 1 8 . 1 1 92 92 VAL H H 109 8.084 8.084 8.424 -0.340 18107 3594 1 8 . 1 1 93 93 GLN N N 110 119.617 119.617 118.744 0.873 18107 3595 1 8 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.046 -0.170 18107 3596 1 8 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.495 0.739 18107 3597 1 8 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.232 0.792 18107 3598 1 8 . 1 1 93 93 GLN H H 110 8.512 8.512 8.524 -0.012 18107 3599 1 8 . 1 1 94 94 ASP N N 111 117.490 117.490 120.378 -2.888 18107 3600 1 8 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.568 -0.077 18107 3601 1 8 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.847 -0.566 18107 3602 1 8 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.468 0.367 18107 3603 1 8 . 1 1 94 94 ASP H H 111 8.194 8.194 8.342 -0.148 18107 3604 1 8 . 1 1 95 95 SER N N 112 116.625 116.625 114.157 2.468 18107 3605 1 8 . 1 1 95 95 SER HA H 112 4.288 4.288 4.224 0.064 18107 3606 1 8 . 1 1 95 95 SER CA C 112 59.770 59.770 60.721 -0.951 18107 3607 1 8 . 1 1 95 95 SER CB C 112 63.990 63.990 63.593 0.397 18107 3608 1 8 . 1 1 95 95 SER H H 112 7.479 7.479 7.716 -0.237 18107 3609 1 9 . 1 1 2 2 THR HA H 19 4.222 4.222 4.093 0.129 18107 3610 1 9 . 1 1 2 2 THR CA C 19 63.013 63.013 65.937 -2.924 18107 3611 1 9 . 1 1 2 2 THR CB C 19 69.504 69.504 68.627 0.877 18107 3612 1 9 . 1 1 3 3 ALA N N 20 125.065 125.065 123.732 1.333 18107 3613 1 9 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.822 0.328 18107 3614 1 9 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.839 0.117 18107 3615 1 9 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.247 0.750 18107 3616 1 9 . 1 1 3 3 ALA H H 20 8.404 8.404 8.331 0.073 18107 3617 1 9 . 1 1 4 4 THR N N 21 109.840 109.840 111.340 -1.500 18107 3618 1 9 . 1 1 4 4 THR HA H 21 4.235 4.235 3.841 0.394 18107 3619 1 9 . 1 1 4 4 THR CA C 21 64.668 64.668 64.687 -0.019 18107 3620 1 9 . 1 1 4 4 THR CB C 21 68.923 68.923 67.840 1.083 18107 3621 1 9 . 1 1 4 4 THR H H 21 7.910 7.910 7.941 -0.031 18107 3622 1 9 . 1 1 5 5 GLN N N 22 122.037 122.037 119.924 2.113 18107 3623 1 9 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.151 -0.100 18107 3624 1 9 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.456 -0.292 18107 3625 1 9 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.800 -0.243 18107 3626 1 9 . 1 1 5 5 GLN H H 22 7.953 7.953 7.532 0.421 18107 3627 1 9 . 1 1 6 6 ARG N N 23 118.944 118.944 118.925 0.019 18107 3628 1 9 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.057 0.049 18107 3629 1 9 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.609 -0.517 18107 3630 1 9 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.409 -0.262 18107 3631 1 9 . 1 1 6 6 ARG H H 23 7.922 7.922 7.436 0.486 18107 3632 1 9 . 1 1 7 7 PHE N N 24 116.543 116.543 114.780 1.763 18107 3633 1 9 . 1 1 7 7 PHE H H 24 8.276 8.276 7.594 0.682 18107 3634 1 9 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.538 -0.043 18107 3635 1 9 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.279 1.741 18107 3636 1 9 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.134 -1.082 18107 3637 1 9 . 1 1 9 9 GLU N N 26 118.298 118.298 119.896 -1.598 18107 3638 1 9 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.120 -0.130 18107 3639 1 9 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.910 -0.532 18107 3640 1 9 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.525 -0.213 18107 3641 1 9 . 1 1 9 9 GLU H H 26 8.148 8.148 8.595 -0.447 18107 3642 1 9 . 1 1 10 10 ILE N N 27 121.761 121.761 117.366 4.395 18107 3643 1 9 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.652 0.312 18107 3644 1 9 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.188 -1.725 18107 3645 1 9 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.825 -0.575 18107 3646 1 9 . 1 1 10 10 ILE H H 27 8.165 8.165 8.285 -0.120 18107 3647 1 9 . 1 1 11 11 GLU N N 28 122.042 122.042 120.867 1.175 18107 3648 1 9 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.971 -0.134 18107 3649 1 9 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.130 0.498 18107 3650 1 9 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.482 0.524 18107 3651 1 9 . 1 1 11 11 GLU H H 28 8.541 8.541 8.147 0.394 18107 3652 1 9 . 1 1 12 12 LYS N N 29 117.967 117.967 119.353 -1.386 18107 3653 1 9 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.047 -0.105 18107 3654 1 9 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.592 0.149 18107 3655 1 9 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.234 0.218 18107 3656 1 9 . 1 1 12 12 LYS H H 29 7.517 7.517 7.831 -0.314 18107 3657 1 9 . 1 1 13 13 PHE N N 30 122.144 122.144 120.114 2.030 18107 3658 1 9 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.283 0.146 18107 3659 1 9 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.838 -1.051 18107 3660 1 9 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.756 0.455 18107 3661 1 9 . 1 1 13 13 PHE H H 30 8.066 8.066 8.100 -0.034 18107 3662 1 9 . 1 1 14 14 LEU N N 31 119.404 119.404 119.967 -0.563 18107 3663 1 9 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.923 -0.189 18107 3664 1 9 . 1 1 14 14 LEU CA C 31 57.764 57.764 59.108 -1.344 18107 3665 1 9 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.657 -0.221 18107 3666 1 9 . 1 1 14 14 LEU H H 31 8.739 8.739 8.167 0.572 18107 3667 1 9 . 1 1 15 15 LEU N N 32 121.073 121.073 118.150 2.923 18107 3668 1 9 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.908 0.052 18107 3669 1 9 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.877 0.455 18107 3670 1 9 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.813 1.149 18107 3671 1 9 . 1 1 15 15 LEU H H 32 7.736 7.736 7.564 0.172 18107 3672 1 9 . 1 1 16 16 HIS N N 33 118.629 118.629 119.430 -0.801 18107 3673 1 9 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.274 0.072 18107 3674 1 9 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.817 -0.172 18107 3675 1 9 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.439 -0.138 18107 3676 1 9 . 1 1 16 16 HIS H H 33 7.681 7.681 8.161 -0.480 18107 3677 1 9 . 1 1 17 17 ILE N N 34 118.602 118.602 120.024 -1.422 18107 3678 1 9 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.789 0.016 18107 3679 1 9 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.999 -1.492 18107 3680 1 9 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.287 -0.842 18107 3681 1 9 . 1 1 17 17 ILE H H 34 8.502 8.502 8.825 -0.323 18107 3682 1 9 . 1 1 18 18 THR N N 35 117.776 117.776 116.108 1.668 18107 3683 1 9 . 1 1 18 18 THR HA H 35 4.116 4.116 3.909 0.207 18107 3684 1 9 . 1 1 18 18 THR CA C 35 68.694 68.694 67.413 1.281 18107 3685 1 9 . 1 1 18 18 THR CB C 35 68.694 68.694 68.516 0.178 18107 3686 1 9 . 1 1 18 18 THR H H 35 7.726 7.726 7.762 -0.036 18107 3687 1 9 . 1 1 19 19 HIS N N 36 118.130 118.130 120.415 -2.285 18107 3688 1 9 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.199 0.202 18107 3689 1 9 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.378 0.408 18107 3690 1 9 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.701 -0.631 18107 3691 1 9 . 1 1 19 19 HIS H H 36 7.177 7.177 7.878 -0.701 18107 3692 1 9 . 1 1 20 20 GLU N N 37 119.301 119.301 118.871 0.430 18107 3693 1 9 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.993 0.057 18107 3694 1 9 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.184 0.373 18107 3695 1 9 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.503 0.553 18107 3696 1 9 . 1 1 20 20 GLU H H 37 7.335 7.335 7.824 -0.489 18107 3697 1 9 . 1 1 21 21 VAL N N 38 122.744 122.744 119.780 2.964 18107 3698 1 9 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.606 -0.184 18107 3699 1 9 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.799 0.250 18107 3700 1 9 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.567 -0.194 18107 3701 1 9 . 1 1 21 21 VAL H H 38 8.385 8.385 7.648 0.737 18107 3702 1 9 . 1 1 22 22 ASP N N 39 120.471 120.471 119.562 0.909 18107 3703 1 9 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.366 -0.219 18107 3704 1 9 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.808 -0.082 18107 3705 1 9 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.470 -0.083 18107 3706 1 9 . 1 1 22 22 ASP H H 39 8.054 8.054 7.767 0.287 18107 3707 1 9 . 1 1 23 23 ASP N N 40 118.541 118.541 120.212 -1.671 18107 3708 1 9 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.397 0.023 18107 3709 1 9 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.213 0.274 18107 3710 1 9 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.450 -0.276 18107 3711 1 9 . 1 1 23 23 ASP H H 40 7.587 7.587 7.702 -0.115 18107 3712 1 9 . 1 1 24 24 LEU N N 41 123.241 123.241 116.429 6.812 18107 3713 1 9 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.360 -0.192 18107 3714 1 9 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.803 -0.096 18107 3715 1 9 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.495 0.414 18107 3716 1 9 . 1 1 24 24 LEU H H 41 8.032 8.032 8.186 -0.154 18107 3717 1 9 . 1 1 25 25 GLU N N 42 117.508 117.508 117.887 -0.379 18107 3718 1 9 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.004 -0.084 18107 3719 1 9 . 1 1 25 25 GLU CA C 42 59.082 59.082 58.903 0.179 18107 3720 1 9 . 1 1 25 25 GLU CB C 42 29.863 29.863 28.965 0.898 18107 3721 1 9 . 1 1 25 25 GLU H H 42 8.010 8.010 8.493 -0.483 18107 3722 1 9 . 1 1 26 26 LYS N N 43 117.032 117.032 118.010 -0.978 18107 3723 1 9 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.156 0.087 18107 3724 1 9 . 1 1 26 26 LYS CA C 43 58.251 58.251 58.224 0.027 18107 3725 1 9 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.342 1.165 18107 3726 1 9 . 1 1 26 26 LYS H H 43 7.596 7.596 7.672 -0.076 18107 3727 1 9 . 1 1 27 27 THR N N 44 110.288 110.288 111.517 -1.229 18107 3728 1 9 . 1 1 27 27 THR HA H 44 4.271 4.271 4.404 -0.133 18107 3729 1 9 . 1 1 27 27 THR CA C 44 62.820 62.820 63.280 -0.460 18107 3730 1 9 . 1 1 27 27 THR CB C 44 70.733 70.733 71.256 -0.523 18107 3731 1 9 . 1 1 27 27 THR H H 44 8.227 8.227 7.534 0.693 18107 3732 1 9 . 1 1 28 28 GLY N N 45 112.257 112.257 108.214 4.043 18107 3733 1 9 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.986 0.675 18107 3734 1 9 . 1 1 28 28 GLY H H 45 8.727 8.727 8.362 0.365 18107 3735 1 9 . 1 1 29 29 ASN N N 46 118.416 118.416 118.067 0.349 18107 3736 1 9 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.371 0.098 18107 3737 1 9 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.850 0.447 18107 3738 1 9 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.441 2.669 18107 3739 1 9 . 1 1 29 29 ASN H H 46 7.716 7.716 8.199 -0.483 18107 3740 1 9 . 1 1 30 30 LYS N N 47 126.481 126.481 118.901 7.580 18107 3741 1 9 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.062 -0.074 18107 3742 1 9 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.863 0.328 18107 3743 1 9 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.505 0.008 18107 3744 1 9 . 1 1 30 30 LYS H H 47 8.770 8.770 8.094 0.676 18107 3745 1 9 . 1 1 31 31 ASP N N 48 121.710 121.710 114.841 6.869 18107 3746 1 9 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.859 -0.392 18107 3747 1 9 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.411 3.224 18107 3748 1 9 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.638 -1.194 18107 3749 1 9 . 1 1 31 31 ASP H H 48 8.229 8.229 8.048 0.181 18107 3750 1 9 . 1 1 32 32 GLU N N 49 121.695 121.695 121.290 0.405 18107 3751 1 9 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.083 0.274 18107 3752 1 9 . 1 1 32 32 GLU H H 49 8.048 8.048 8.725 -0.677 18107 3753 1 9 . 1 1 33 33 LYS N N 50 120.099 120.099 119.726 0.373 18107 3754 1 9 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.916 -0.265 18107 3755 1 9 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.734 0.103 18107 3756 1 9 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.087 0.880 18107 3757 1 9 . 1 1 33 33 LYS H H 50 7.975 7.975 8.372 -0.397 18107 3758 1 9 . 1 1 34 34 ALA N N 51 118.238 118.238 119.523 -1.285 18107 3759 1 9 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.994 -0.005 18107 3760 1 9 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.147 0.246 18107 3761 1 9 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.277 -0.065 18107 3762 1 9 . 1 1 34 34 ALA H H 51 7.614 7.614 8.365 -0.751 18107 3763 1 9 . 1 1 35 35 ARG N N 52 120.311 120.311 119.817 0.494 18107 3764 1 9 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.182 1.709 18107 3765 1 9 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.629 1.421 18107 3766 1 9 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.360 0.051 18107 3767 1 9 . 1 1 35 35 ARG H H 52 7.883 7.883 7.742 0.141 18107 3768 1 9 . 1 1 36 36 LEU N N 53 119.541 119.541 119.150 0.391 18107 3769 1 9 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.210 -0.264 18107 3770 1 9 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.187 0.302 18107 3771 1 9 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.271 1.171 18107 3772 1 9 . 1 1 36 36 LEU H H 53 8.553 8.553 8.507 0.046 18107 3773 1 9 . 1 1 37 37 LEU N N 54 117.789 117.789 120.344 -2.555 18107 3774 1 9 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.886 0.179 18107 3775 1 9 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.075 0.567 18107 3776 1 9 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.458 -0.139 18107 3777 1 9 . 1 1 37 37 LEU H H 54 8.341 8.341 8.455 -0.114 18107 3778 1 9 . 1 1 38 38 ARG N N 55 121.176 121.176 118.788 2.388 18107 3779 1 9 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.033 0.035 18107 3780 1 9 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.059 1.266 18107 3781 1 9 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.987 0.083 18107 3782 1 9 . 1 1 38 38 ARG H H 55 7.864 7.864 7.825 0.039 18107 3783 1 9 . 1 1 39 39 GLU N N 56 119.256 119.256 120.723 -1.467 18107 3784 1 9 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.128 -0.068 18107 3785 1 9 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.655 0.239 18107 3786 1 9 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.562 0.339 18107 3787 1 9 . 1 1 39 39 GLU H H 56 8.390 8.390 7.703 0.687 18107 3788 1 9 . 1 1 40 40 LEU N N 57 120.312 120.312 117.057 3.255 18107 3789 1 9 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.256 -0.128 18107 3790 1 9 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.278 0.343 18107 3791 1 9 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.321 0.908 18107 3792 1 9 . 1 1 40 40 LEU H H 57 8.802 8.802 8.055 0.747 18107 3793 1 9 . 1 1 41 41 THR N N 58 117.791 117.791 117.534 0.257 18107 3794 1 9 . 1 1 41 41 THR HA H 58 4.341 4.341 4.220 0.121 18107 3795 1 9 . 1 1 41 41 THR CA C 58 67.542 67.542 65.972 1.570 18107 3796 1 9 . 1 1 41 41 THR CB C 58 69.157 69.157 68.256 0.901 18107 3797 1 9 . 1 1 41 41 THR H H 58 8.182 8.182 7.945 0.237 18107 3798 1 9 . 1 1 42 42 VAL N N 59 123.554 123.554 121.088 2.466 18107 3799 1 9 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.520 0.203 18107 3800 1 9 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.914 -0.059 18107 3801 1 9 . 1 1 42 42 VAL H H 59 7.978 7.978 8.364 -0.386 18107 3802 1 9 . 1 1 43 43 SER N N 60 116.859 116.859 114.800 2.059 18107 3803 1 9 . 1 1 43 43 SER HA H 60 4.155 4.155 2.074 2.081 18107 3804 1 9 . 1 1 43 43 SER CA C 60 63.412 63.412 61.442 1.970 18107 3805 1 9 . 1 1 43 43 SER H H 60 7.715 7.715 7.555 0.160 18107 3806 1 9 . 1 1 44 44 GLU N N 61 124.072 124.072 120.610 3.462 18107 3807 1 9 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.740 -0.114 18107 3808 1 9 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.118 1.384 18107 3809 1 9 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.379 0.415 18107 3810 1 9 . 1 1 44 44 GLU H H 61 8.517 8.517 8.255 0.262 18107 3811 1 9 . 1 1 45 45 ALA N N 62 120.467 120.467 122.280 -1.813 18107 3812 1 9 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.051 0.098 18107 3813 1 9 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.922 0.304 18107 3814 1 9 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.445 -0.600 18107 3815 1 9 . 1 1 45 45 ALA H H 62 7.853 7.853 7.553 0.300 18107 3816 1 9 . 1 1 46 46 PHE N N 63 119.936 119.936 116.778 3.158 18107 3817 1 9 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.290 -0.025 18107 3818 1 9 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.554 2.982 18107 3819 1 9 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.670 1.522 18107 3820 1 9 . 1 1 46 46 PHE H H 63 7.946 7.946 7.015 0.931 18107 3821 1 9 . 1 1 47 47 ILE N N 64 122.630 122.630 120.388 2.242 18107 3822 1 9 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.634 -0.014 18107 3823 1 9 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.094 2.264 18107 3824 1 9 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.962 1.419 18107 3825 1 9 . 1 1 47 47 ILE H H 64 8.595 8.595 8.111 0.484 18107 3826 1 9 . 1 1 48 48 GLU N N 65 120.257 120.257 119.718 0.539 18107 3827 1 9 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.984 0.605 18107 3828 1 9 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.920 -0.564 18107 3829 1 9 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.533 0.068 18107 3830 1 9 . 1 1 48 48 GLU H H 65 9.078 9.078 7.937 1.141 18107 3831 1 9 . 1 1 49 49 GLY N N 66 108.368 108.368 106.697 1.671 18107 3832 1 9 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.864 0.289 18107 3833 1 9 . 1 1 49 49 GLY H H 66 8.379 8.379 8.058 0.321 18107 3834 1 9 . 1 1 50 50 SER N N 67 119.358 119.358 117.046 2.312 18107 3835 1 9 . 1 1 50 50 SER HA H 67 3.988 3.988 4.054 -0.066 18107 3836 1 9 . 1 1 50 50 SER CA C 67 62.501 62.501 60.922 1.579 18107 3837 1 9 . 1 1 50 50 SER CB C 67 63.441 63.441 63.023 0.418 18107 3838 1 9 . 1 1 50 50 SER H H 67 7.694 7.694 7.861 -0.167 18107 3839 1 9 . 1 1 51 51 ARG N N 68 121.212 121.212 120.787 0.425 18107 3840 1 9 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.154 -0.246 18107 3841 1 9 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.568 1.473 18107 3842 1 9 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.258 0.499 18107 3843 1 9 . 1 1 51 51 ARG H H 68 8.684 8.684 7.824 0.860 18107 3844 1 9 . 1 1 52 52 GLY N N 69 124.556 124.556 106.339 18.217 18107 3845 1 9 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.809 0.454 18107 3846 1 9 . 1 1 52 52 GLY H H 69 8.068 8.068 8.124 -0.056 18107 3847 1 9 . 1 1 53 53 TYR N N 70 123.123 123.123 123.323 -0.200 18107 3848 1 9 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.104 -0.035 18107 3849 1 9 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.508 -0.688 18107 3850 1 9 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.458 -0.711 18107 3851 1 9 . 1 1 53 53 TYR H H 70 7.337 7.337 7.586 -0.249 18107 3852 1 9 . 1 1 54 54 PHE N N 71 117.809 117.809 118.210 -0.401 18107 3853 1 9 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.994 -0.327 18107 3854 1 9 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.761 -0.272 18107 3855 1 9 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.890 0.859 18107 3856 1 9 . 1 1 54 54 PHE H H 71 7.965 7.965 7.492 0.473 18107 3857 1 9 . 1 1 55 55 GLN N N 72 115.519 115.519 117.844 -2.325 18107 3858 1 9 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.035 -0.177 18107 3859 1 9 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.730 0.878 18107 3860 1 9 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.436 0.560 18107 3861 1 9 . 1 1 55 55 GLN H H 72 8.522 8.522 8.010 0.512 18107 3862 1 9 . 1 1 56 56 ARG N N 73 118.947 118.947 118.461 0.486 18107 3863 1 9 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.113 -0.241 18107 3864 1 9 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.106 1.815 18107 3865 1 9 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.707 0.379 18107 3866 1 9 . 1 1 56 56 ARG H H 73 7.677 7.677 7.581 0.096 18107 3867 1 9 . 1 1 57 57 GLU N N 74 121.204 121.204 121.003 0.201 18107 3868 1 9 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.921 -0.239 18107 3869 1 9 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.173 -0.239 18107 3870 1 9 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.861 0.832 18107 3871 1 9 . 1 1 57 57 GLU H H 74 7.897 7.897 8.225 -0.328 18107 3872 1 9 . 1 1 58 58 LEU N N 75 115.348 115.348 119.264 -3.916 18107 3873 1 9 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.197 -0.137 18107 3874 1 9 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.574 -0.680 18107 3875 1 9 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.157 0.173 18107 3876 1 9 . 1 1 58 58 LEU H H 75 7.746 7.746 7.781 -0.035 18107 3877 1 9 . 1 1 59 59 LYS N N 76 117.429 117.429 115.685 1.744 18107 3878 1 9 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.374 -0.174 18107 3879 1 9 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.423 1.185 18107 3880 1 9 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.309 0.574 18107 3881 1 9 . 1 1 59 59 LYS H H 76 7.233 7.233 7.959 -0.726 18107 3882 1 9 . 1 1 60 60 ARG N N 77 120.555 120.555 120.626 -0.071 18107 3883 1 9 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.028 0.098 18107 3884 1 9 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.901 -1.202 18107 3885 1 9 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.336 1.462 18107 3886 1 9 . 1 1 60 60 ARG H H 77 7.701 7.701 7.985 -0.284 18107 3887 1 9 . 1 1 61 61 THR N N 78 111.768 111.768 107.426 4.342 18107 3888 1 9 . 1 1 61 61 THR HA H 78 4.414 4.414 4.061 0.353 18107 3889 1 9 . 1 1 61 61 THR CA C 78 62.557 62.557 64.069 -1.512 18107 3890 1 9 . 1 1 61 61 THR CB C 78 69.221 69.221 68.123 1.098 18107 3891 1 9 . 1 1 61 61 THR H H 78 8.638 8.638 8.228 0.410 18107 3892 1 9 . 1 1 62 62 ASP N N 79 120.616 120.616 119.779 0.837 18107 3893 1 9 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.834 -0.202 18107 3894 1 9 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.433 -1.471 18107 3895 1 9 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.501 -1.255 18107 3896 1 9 . 1 1 62 62 ASP H H 79 8.465 8.465 8.519 -0.054 18107 3897 1 9 . 1 1 63 63 LEU N N 80 120.063 120.063 117.642 2.421 18107 3898 1 9 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.773 -0.528 18107 3899 1 9 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.880 1.332 18107 3900 1 9 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.468 -1.673 18107 3901 1 9 . 1 1 63 63 LEU H H 80 7.157 7.157 7.546 -0.389 18107 3902 1 9 . 1 1 64 64 ASP N N 81 125.396 125.396 122.090 3.306 18107 3903 1 9 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.951 -0.382 18107 3904 1 9 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.685 1.292 18107 3905 1 9 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.439 -0.639 18107 3906 1 9 . 1 1 64 64 ASP H H 81 8.926 8.926 8.368 0.558 18107 3907 1 9 . 1 1 65 65 LEU N N 82 122.508 122.508 121.073 1.435 18107 3908 1 9 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.102 -0.264 18107 3909 1 9 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.741 1.080 18107 3910 1 9 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.921 0.274 18107 3911 1 9 . 1 1 65 65 LEU H H 82 8.281 8.281 8.322 -0.041 18107 3912 1 9 . 1 1 66 66 LEU N N 83 119.413 119.413 119.690 -0.277 18107 3913 1 9 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.049 0.023 18107 3914 1 9 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.555 -0.527 18107 3915 1 9 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.818 0.533 18107 3916 1 9 . 1 1 66 66 LEU H H 83 8.149 8.149 7.848 0.301 18107 3917 1 9 . 1 1 67 67 GLU N N 84 119.941 119.941 118.374 1.567 18107 3918 1 9 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.749 0.097 18107 3919 1 9 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.188 -0.665 18107 3920 1 9 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.000 1.212 18107 3921 1 9 . 1 1 67 67 GLU H H 84 7.725 7.725 8.546 -0.821 18107 3922 1 9 . 1 1 68 68 LYS N N 85 119.400 119.400 119.597 -0.197 18107 3923 1 9 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.841 -0.040 18107 3924 1 9 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.249 1.571 18107 3925 1 9 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.263 0.652 18107 3926 1 9 . 1 1 68 68 LYS H H 85 8.117 8.117 8.124 -0.007 18107 3927 1 9 . 1 1 69 69 PHE N N 86 117.969 117.969 120.180 -2.211 18107 3928 1 9 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.099 0.190 18107 3929 1 9 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.711 0.158 18107 3930 1 9 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.769 -0.014 18107 3931 1 9 . 1 1 69 69 PHE H H 86 7.975 7.975 8.328 -0.353 18107 3932 1 9 . 1 1 70 70 ASN N N 87 118.904 118.904 118.342 0.562 18107 3933 1 9 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.224 0.137 18107 3934 1 9 . 1 1 70 70 ASN CA C 87 56.268 56.268 57.089 -0.821 18107 3935 1 9 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.310 -0.212 18107 3936 1 9 . 1 1 70 70 ASN H H 87 8.259 8.259 7.343 0.916 18107 3937 1 9 . 1 1 71 71 PHE N N 88 121.068 121.068 118.337 2.731 18107 3938 1 9 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.526 0.740 18107 3939 1 9 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.489 1.298 18107 3940 1 9 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.385 0.645 18107 3941 1 9 . 1 1 71 71 PHE H H 88 8.618 8.618 7.391 1.227 18107 3942 1 9 . 1 1 72 72 GLU N N 89 120.500 120.500 119.465 1.035 18107 3943 1 9 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.958 -0.105 18107 3944 1 9 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.470 1.027 18107 3945 1 9 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.150 0.361 18107 3946 1 9 . 1 1 72 72 GLU H H 89 8.709 8.709 8.704 0.005 18107 3947 1 9 . 1 1 73 73 ALA N N 90 123.117 123.117 121.932 1.185 18107 3948 1 9 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.885 0.153 18107 3949 1 9 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.677 0.324 18107 3950 1 9 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.779 0.170 18107 3951 1 9 . 1 1 73 73 ALA H H 90 8.158 8.158 7.831 0.327 18107 3952 1 9 . 1 1 74 74 ALA N N 91 122.919 122.919 121.168 1.751 18107 3953 1 9 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.024 -0.073 18107 3954 1 9 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.472 0.807 18107 3955 1 9 . 1 1 74 74 ALA CB C 91 17.666 17.666 17.923 -0.257 18107 3956 1 9 . 1 1 74 74 ALA H H 91 7.841 7.841 7.968 -0.127 18107 3957 1 9 . 1 1 75 75 LEU N N 92 119.956 119.956 119.680 0.276 18107 3958 1 9 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.106 -0.059 18107 3959 1 9 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.131 0.328 18107 3960 1 9 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.833 0.327 18107 3961 1 9 . 1 1 75 75 LEU H H 92 8.091 8.091 8.217 -0.126 18107 3962 1 9 . 1 1 76 76 ALA N N 93 120.763 120.763 120.527 0.236 18107 3963 1 9 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.102 0.028 18107 3964 1 9 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.307 0.097 18107 3965 1 9 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.205 -0.335 18107 3966 1 9 . 1 1 76 76 ALA H H 93 7.774 7.774 7.890 -0.116 18107 3967 1 9 . 1 1 77 77 THR N N 94 117.510 117.510 115.472 2.038 18107 3968 1 9 . 1 1 77 77 THR HA H 94 4.234 4.234 4.094 0.140 18107 3969 1 9 . 1 1 77 77 THR CA C 94 67.364 67.364 66.808 0.556 18107 3970 1 9 . 1 1 77 77 THR CB C 94 68.779 68.779 68.710 0.069 18107 3971 1 9 . 1 1 77 77 THR H H 94 8.188 8.188 7.723 0.465 18107 3972 1 9 . 1 1 78 78 GLY N N 95 110.009 110.009 110.041 -0.032 18107 3973 1 9 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.848 1.302 18107 3974 1 9 . 1 1 78 78 GLY H H 95 8.547 8.547 8.874 -0.327 18107 3975 1 9 . 1 1 79 79 ASP N N 96 121.634 121.634 122.539 -0.905 18107 3976 1 9 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.458 -0.190 18107 3977 1 9 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.761 1.175 18107 3978 1 9 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.762 -0.122 18107 3979 1 9 . 1 1 79 79 ASP H H 96 8.548 8.548 8.060 0.488 18107 3980 1 9 . 1 1 80 80 LEU N N 97 122.599 122.599 119.758 2.841 18107 3981 1 9 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.038 -0.030 18107 3982 1 9 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.707 0.735 18107 3983 1 9 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.216 -0.287 18107 3984 1 9 . 1 1 80 80 LEU H H 97 7.618 7.618 7.616 0.002 18107 3985 1 9 . 1 1 81 81 LEU N N 98 119.913 119.913 117.845 2.068 18107 3986 1 9 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.087 -0.056 18107 3987 1 9 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.167 -0.359 18107 3988 1 9 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.223 1.138 18107 3989 1 9 . 1 1 81 81 LEU H H 98 8.224 8.224 7.949 0.275 18107 3990 1 9 . 1 1 82 82 LEU N N 99 118.616 118.616 120.771 -2.155 18107 3991 1 9 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.854 0.121 18107 3992 1 9 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.909 0.160 18107 3993 1 9 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.642 0.523 18107 3994 1 9 . 1 1 82 82 LEU H H 99 8.359 8.359 8.424 -0.065 18107 3995 1 9 . 1 1 83 83 LYS N N 100 118.988 118.988 118.942 0.046 18107 3996 1 9 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.938 -0.054 18107 3997 1 9 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.236 0.030 18107 3998 1 9 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.120 0.051 18107 3999 1 9 . 1 1 83 83 LYS H H 100 7.566 7.566 7.858 -0.292 18107 4000 1 9 . 1 1 84 84 ASP N N 101 121.591 121.591 120.637 0.954 18107 4001 1 9 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.486 -0.089 18107 4002 1 9 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.532 1.164 18107 4003 1 9 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.718 -0.313 18107 4004 1 9 . 1 1 84 84 ASP H H 101 7.743 7.743 7.959 -0.216 18107 4005 1 9 . 1 1 85 85 LEU N N 102 123.215 123.215 120.418 2.797 18107 4006 1 9 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.890 -0.040 18107 4007 1 9 . 1 1 85 85 LEU CA C 102 59.841 59.841 57.921 1.920 18107 4008 1 9 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.748 0.824 18107 4009 1 9 . 1 1 85 85 LEU H H 102 8.760 8.760 8.318 0.442 18107 4010 1 9 . 1 1 86 86 LYS N N 103 119.648 119.648 119.646 0.002 18107 4011 1 9 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.024 0.044 18107 4012 1 9 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.112 -0.320 18107 4013 1 9 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.259 -1.127 18107 4014 1 9 . 1 1 86 86 LYS H H 103 8.883 8.883 7.725 1.158 18107 4015 1 9 . 1 1 87 87 ALA N N 104 122.844 122.844 121.397 1.447 18107 4016 1 9 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.135 0.025 18107 4017 1 9 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.825 0.475 18107 4018 1 9 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.163 -0.143 18107 4019 1 9 . 1 1 87 87 ALA H H 104 7.721 7.721 7.661 0.060 18107 4020 1 9 . 1 1 88 88 LEU N N 105 120.380 120.380 118.683 1.697 18107 4021 1 9 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.049 -0.057 18107 4022 1 9 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.039 0.147 18107 4023 1 9 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.238 1.566 18107 4024 1 9 . 1 1 88 88 LEU H H 105 7.762 7.762 8.008 -0.246 18107 4025 1 9 . 1 1 89 89 GLN N N 106 118.781 118.781 119.437 -0.656 18107 4026 1 9 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.909 -0.324 18107 4027 1 9 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.632 0.345 18107 4028 1 9 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.489 1.138 18107 4029 1 9 . 1 1 89 89 GLN H H 106 8.658 8.658 7.986 0.672 18107 4030 1 9 . 1 1 90 90 LYS N N 107 118.977 118.977 119.045 -0.068 18107 4031 1 9 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.083 -0.135 18107 4032 1 9 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.415 1.080 18107 4033 1 9 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.773 0.650 18107 4034 1 9 . 1 1 90 90 LYS H H 107 7.786 7.786 7.737 0.049 18107 4035 1 9 . 1 1 91 91 ARG N N 108 117.470 117.470 120.406 -2.936 18107 4036 1 9 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.126 -0.123 18107 4037 1 9 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.461 0.121 18107 4038 1 9 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.066 1.562 18107 4039 1 9 . 1 1 91 91 ARG H H 108 7.469 7.469 7.611 -0.142 18107 4040 1 9 . 1 1 92 92 VAL N N 109 117.865 117.865 119.556 -1.691 18107 4041 1 9 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.677 -0.195 18107 4042 1 9 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.370 0.241 18107 4043 1 9 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.528 0.683 18107 4044 1 9 . 1 1 92 92 VAL H H 109 8.084 8.084 8.437 -0.353 18107 4045 1 9 . 1 1 93 93 GLN N N 110 119.617 119.617 118.405 1.212 18107 4046 1 9 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.080 -0.204 18107 4047 1 9 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.791 0.443 18107 4048 1 9 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.398 0.626 18107 4049 1 9 . 1 1 93 93 GLN H H 110 8.512 8.512 8.476 0.036 18107 4050 1 9 . 1 1 94 94 ASP N N 111 117.490 117.490 118.470 -0.980 18107 4051 1 9 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.667 -0.176 18107 4052 1 9 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.888 -0.607 18107 4053 1 9 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.202 -0.367 18107 4054 1 9 . 1 1 94 94 ASP H H 111 8.194 8.194 8.163 0.031 18107 4055 1 9 . 1 1 95 95 SER N N 112 116.625 116.625 114.208 2.417 18107 4056 1 9 . 1 1 95 95 SER HA H 112 4.288 4.288 4.244 0.044 18107 4057 1 9 . 1 1 95 95 SER CA C 112 59.770 59.770 60.726 -0.956 18107 4058 1 9 . 1 1 95 95 SER CB C 112 63.990 63.990 63.415 0.575 18107 4059 1 9 . 1 1 95 95 SER H H 112 7.479 7.479 7.846 -0.367 18107 4060 1 10 . 1 1 2 2 THR HA H 19 4.222 4.222 4.155 0.067 18107 4061 1 10 . 1 1 2 2 THR CA C 19 63.013 63.013 65.607 -2.594 18107 4062 1 10 . 1 1 2 2 THR CB C 19 69.504 69.504 68.954 0.549 18107 4063 1 10 . 1 1 3 3 ALA N N 20 125.065 125.065 124.408 0.657 18107 4064 1 10 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.969 0.181 18107 4065 1 10 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.334 -0.378 18107 4066 1 10 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.204 0.793 18107 4067 1 10 . 1 1 3 3 ALA H H 20 8.404 8.404 8.183 0.221 18107 4068 1 10 . 1 1 4 4 THR N N 21 109.840 109.840 112.022 -2.182 18107 4069 1 10 . 1 1 4 4 THR HA H 21 4.235 4.235 3.898 0.337 18107 4070 1 10 . 1 1 4 4 THR CA C 21 64.668 64.668 64.879 -0.211 18107 4071 1 10 . 1 1 4 4 THR CB C 21 68.923 68.923 67.594 1.329 18107 4072 1 10 . 1 1 4 4 THR H H 21 7.910 7.910 7.959 -0.049 18107 4073 1 10 . 1 1 5 5 GLN N N 22 122.037 122.037 121.172 0.865 18107 4074 1 10 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.859 0.192 18107 4075 1 10 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.654 -0.490 18107 4076 1 10 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.479 0.078 18107 4077 1 10 . 1 1 5 5 GLN H H 22 7.953 7.953 7.467 0.486 18107 4078 1 10 . 1 1 6 6 ARG N N 23 118.944 118.944 118.362 0.582 18107 4079 1 10 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.076 0.030 18107 4080 1 10 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.604 -0.512 18107 4081 1 10 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.354 -0.207 18107 4082 1 10 . 1 1 6 6 ARG H H 23 7.922 7.922 7.355 0.567 18107 4083 1 10 . 1 1 7 7 PHE N N 24 116.543 116.543 114.847 1.696 18107 4084 1 10 . 1 1 7 7 PHE H H 24 8.276 8.276 7.673 0.603 18107 4085 1 10 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.932 -0.437 18107 4086 1 10 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.390 2.630 18107 4087 1 10 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.366 -1.314 18107 4088 1 10 . 1 1 9 9 GLU N N 26 118.298 118.298 120.573 -2.275 18107 4089 1 10 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.190 -0.200 18107 4090 1 10 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.884 -0.506 18107 4091 1 10 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.277 0.035 18107 4092 1 10 . 1 1 9 9 GLU H H 26 8.148 8.148 8.321 -0.173 18107 4093 1 10 . 1 1 10 10 ILE N N 27 121.761 121.761 117.603 4.158 18107 4094 1 10 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.726 0.238 18107 4095 1 10 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.479 -2.016 18107 4096 1 10 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.963 -0.713 18107 4097 1 10 . 1 1 10 10 ILE H H 27 8.165 8.165 8.379 -0.214 18107 4098 1 10 . 1 1 11 11 GLU N N 28 122.042 122.042 120.346 1.696 18107 4099 1 10 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.969 -0.132 18107 4100 1 10 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.081 0.547 18107 4101 1 10 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.364 0.642 18107 4102 1 10 . 1 1 11 11 GLU H H 28 8.541 8.541 8.227 0.314 18107 4103 1 10 . 1 1 12 12 LYS N N 29 117.967 117.967 119.093 -1.126 18107 4104 1 10 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.049 -0.107 18107 4105 1 10 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.503 0.238 18107 4106 1 10 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.268 0.184 18107 4107 1 10 . 1 1 12 12 LYS H H 29 7.517 7.517 7.881 -0.364 18107 4108 1 10 . 1 1 13 13 PHE N N 30 122.144 122.144 120.225 1.919 18107 4109 1 10 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.290 0.139 18107 4110 1 10 . 1 1 13 13 PHE CA C 30 60.787 60.787 62.082 -1.295 18107 4111 1 10 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.851 0.360 18107 4112 1 10 . 1 1 13 13 PHE H H 30 8.066 8.066 8.036 0.030 18107 4113 1 10 . 1 1 14 14 LEU N N 31 119.404 119.404 118.780 0.624 18107 4114 1 10 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.906 -0.172 18107 4115 1 10 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.056 -0.292 18107 4116 1 10 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.423 0.013 18107 4117 1 10 . 1 1 14 14 LEU H H 31 8.739 8.739 8.302 0.437 18107 4118 1 10 . 1 1 15 15 LEU N N 32 121.073 121.073 118.325 2.748 18107 4119 1 10 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.209 -0.249 18107 4120 1 10 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.074 0.258 18107 4121 1 10 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.320 0.642 18107 4122 1 10 . 1 1 15 15 LEU H H 32 7.736 7.736 7.669 0.067 18107 4123 1 10 . 1 1 16 16 HIS N N 33 118.629 118.629 119.097 -0.468 18107 4124 1 10 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.343 0.003 18107 4125 1 10 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.232 1.413 18107 4126 1 10 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.781 0.520 18107 4127 1 10 . 1 1 16 16 HIS H H 33 7.681 7.681 8.253 -0.572 18107 4128 1 10 . 1 1 17 17 ILE N N 34 118.602 118.602 119.699 -1.097 18107 4129 1 10 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.538 0.267 18107 4130 1 10 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.122 -1.615 18107 4131 1 10 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.070 -0.625 18107 4132 1 10 . 1 1 17 17 ILE H H 34 8.502 8.502 8.712 -0.210 18107 4133 1 10 . 1 1 18 18 THR N N 35 117.776 117.776 116.055 1.721 18107 4134 1 10 . 1 1 18 18 THR HA H 35 4.116 4.116 3.874 0.242 18107 4135 1 10 . 1 1 18 18 THR CA C 35 68.694 68.694 67.447 1.247 18107 4136 1 10 . 1 1 18 18 THR CB C 35 68.694 68.694 68.704 -0.010 18107 4137 1 10 . 1 1 18 18 THR H H 35 7.726 7.726 7.835 -0.109 18107 4138 1 10 . 1 1 19 19 HIS N N 36 118.130 118.130 120.729 -2.599 18107 4139 1 10 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.256 0.145 18107 4140 1 10 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.799 -1.013 18107 4141 1 10 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.870 -0.800 18107 4142 1 10 . 1 1 19 19 HIS H H 36 7.177 7.177 7.983 -0.806 18107 4143 1 10 . 1 1 20 20 GLU N N 37 119.301 119.301 118.751 0.550 18107 4144 1 10 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.132 -0.082 18107 4145 1 10 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.460 0.097 18107 4146 1 10 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.581 0.475 18107 4147 1 10 . 1 1 20 20 GLU H H 37 7.335 7.335 7.944 -0.609 18107 4148 1 10 . 1 1 21 21 VAL N N 38 122.744 122.744 119.386 3.358 18107 4149 1 10 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.656 -0.234 18107 4150 1 10 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.877 0.172 18107 4151 1 10 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.632 -0.259 18107 4152 1 10 . 1 1 21 21 VAL H H 38 8.385 8.385 7.828 0.557 18107 4153 1 10 . 1 1 22 22 ASP N N 39 120.471 120.471 120.248 0.223 18107 4154 1 10 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.377 -0.230 18107 4155 1 10 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.450 0.277 18107 4156 1 10 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.215 0.172 18107 4157 1 10 . 1 1 22 22 ASP H H 39 8.054 8.054 7.735 0.319 18107 4158 1 10 . 1 1 23 23 ASP N N 40 118.541 118.541 120.342 -1.801 18107 4159 1 10 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.435 -0.015 18107 4160 1 10 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.808 -0.321 18107 4161 1 10 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.151 0.023 18107 4162 1 10 . 1 1 23 23 ASP H H 40 7.587 7.587 7.855 -0.268 18107 4163 1 10 . 1 1 24 24 LEU N N 41 123.241 123.241 116.893 6.348 18107 4164 1 10 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.170 -0.002 18107 4165 1 10 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.394 -0.687 18107 4166 1 10 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.019 0.890 18107 4167 1 10 . 1 1 24 24 LEU H H 41 8.032 8.032 8.297 -0.265 18107 4168 1 10 . 1 1 25 25 GLU N N 42 117.508 117.508 119.363 -1.855 18107 4169 1 10 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.025 -0.105 18107 4170 1 10 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.292 -0.210 18107 4171 1 10 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.802 0.061 18107 4172 1 10 . 1 1 25 25 GLU H H 42 8.010 8.010 8.190 -0.180 18107 4173 1 10 . 1 1 26 26 LYS N N 43 117.032 117.032 114.909 2.123 18107 4174 1 10 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.351 -0.108 18107 4175 1 10 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.575 0.676 18107 4176 1 10 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.606 0.901 18107 4177 1 10 . 1 1 26 26 LYS H H 43 7.596 7.596 7.711 -0.115 18107 4178 1 10 . 1 1 27 27 THR N N 44 110.288 110.288 112.763 -2.475 18107 4179 1 10 . 1 1 27 27 THR HA H 44 4.271 4.271 4.461 -0.190 18107 4180 1 10 . 1 1 27 27 THR CA C 44 62.820 62.820 63.299 -0.479 18107 4181 1 10 . 1 1 27 27 THR CB C 44 70.733 70.733 70.496 0.237 18107 4182 1 10 . 1 1 27 27 THR H H 44 8.227 8.227 7.728 0.499 18107 4183 1 10 . 1 1 28 28 GLY N N 45 112.257 112.257 107.953 4.304 18107 4184 1 10 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.791 0.870 18107 4185 1 10 . 1 1 28 28 GLY H H 45 8.727 8.727 8.200 0.527 18107 4186 1 10 . 1 1 29 29 ASN N N 46 118.416 118.416 118.419 -0.003 18107 4187 1 10 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.445 0.024 18107 4188 1 10 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.569 0.728 18107 4189 1 10 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.408 1.702 18107 4190 1 10 . 1 1 29 29 ASN H H 46 7.716 7.716 8.610 -0.894 18107 4191 1 10 . 1 1 30 30 LYS N N 47 126.481 126.481 118.789 7.692 18107 4192 1 10 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.171 -0.183 18107 4193 1 10 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.467 0.724 18107 4194 1 10 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.646 -0.133 18107 4195 1 10 . 1 1 30 30 LYS H H 47 8.770 8.770 8.337 0.433 18107 4196 1 10 . 1 1 31 31 ASP N N 48 121.710 121.710 114.573 7.137 18107 4197 1 10 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.752 -0.285 18107 4198 1 10 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.365 3.270 18107 4199 1 10 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.753 -1.309 18107 4200 1 10 . 1 1 31 31 ASP H H 48 8.229 8.229 8.179 0.050 18107 4201 1 10 . 1 1 32 32 GLU N N 49 121.695 121.695 121.415 0.280 18107 4202 1 10 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.099 0.258 18107 4203 1 10 . 1 1 32 32 GLU H H 49 8.048 8.048 8.675 -0.627 18107 4204 1 10 . 1 1 33 33 LYS N N 50 120.099 120.099 120.259 -0.160 18107 4205 1 10 . 1 1 33 33 LYS HA H 50 3.651 3.651 4.003 -0.352 18107 4206 1 10 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.480 1.357 18107 4207 1 10 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.876 1.091 18107 4208 1 10 . 1 1 33 33 LYS H H 50 7.975 7.975 8.108 -0.133 18107 4209 1 10 . 1 1 34 34 ALA N N 51 118.238 118.238 120.382 -2.144 18107 4210 1 10 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.124 -0.135 18107 4211 1 10 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.182 0.211 18107 4212 1 10 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.130 0.082 18107 4213 1 10 . 1 1 34 34 ALA H H 51 7.614 7.614 8.372 -0.758 18107 4214 1 10 . 1 1 35 35 ARG N N 52 120.311 120.311 119.030 1.281 18107 4215 1 10 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.076 1.815 18107 4216 1 10 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.030 1.020 18107 4217 1 10 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.035 0.376 18107 4218 1 10 . 1 1 35 35 ARG H H 52 7.883 7.883 8.033 -0.150 18107 4219 1 10 . 1 1 36 36 LEU N N 53 119.541 119.541 119.638 -0.097 18107 4220 1 10 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.146 -0.200 18107 4221 1 10 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.891 0.598 18107 4222 1 10 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.427 1.015 18107 4223 1 10 . 1 1 36 36 LEU H H 53 8.553 8.553 8.316 0.237 18107 4224 1 10 . 1 1 37 37 LEU N N 54 117.789 117.789 120.138 -2.349 18107 4225 1 10 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.835 0.230 18107 4226 1 10 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.061 0.581 18107 4227 1 10 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.430 -0.111 18107 4228 1 10 . 1 1 37 37 LEU H H 54 8.341 8.341 8.097 0.244 18107 4229 1 10 . 1 1 38 38 ARG N N 55 121.176 121.176 118.209 2.967 18107 4230 1 10 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.054 0.014 18107 4231 1 10 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.181 1.144 18107 4232 1 10 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.861 0.209 18107 4233 1 10 . 1 1 38 38 ARG H H 55 7.864 7.864 7.776 0.088 18107 4234 1 10 . 1 1 39 39 GLU N N 56 119.256 119.256 120.878 -1.622 18107 4235 1 10 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.144 -0.084 18107 4236 1 10 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.455 0.439 18107 4237 1 10 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.380 0.521 18107 4238 1 10 . 1 1 39 39 GLU H H 56 8.390 8.390 7.735 0.655 18107 4239 1 10 . 1 1 40 40 LEU N N 57 120.312 120.312 117.467 2.845 18107 4240 1 10 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.247 -0.119 18107 4241 1 10 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.369 0.252 18107 4242 1 10 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.279 0.950 18107 4243 1 10 . 1 1 40 40 LEU H H 57 8.802 8.802 7.968 0.834 18107 4244 1 10 . 1 1 41 41 THR N N 58 117.791 117.791 117.256 0.535 18107 4245 1 10 . 1 1 41 41 THR HA H 58 4.341 4.341 3.918 0.423 18107 4246 1 10 . 1 1 41 41 THR CA C 58 67.542 67.542 66.505 1.037 18107 4247 1 10 . 1 1 41 41 THR CB C 58 69.157 69.157 68.288 0.869 18107 4248 1 10 . 1 1 41 41 THR H H 58 8.182 8.182 7.857 0.325 18107 4249 1 10 . 1 1 42 42 VAL N N 59 123.554 123.554 120.747 2.807 18107 4250 1 10 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.545 0.178 18107 4251 1 10 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.698 0.157 18107 4252 1 10 . 1 1 42 42 VAL H H 59 7.978 7.978 8.412 -0.434 18107 4253 1 10 . 1 1 43 43 SER N N 60 116.859 116.859 115.127 1.732 18107 4254 1 10 . 1 1 43 43 SER HA H 60 4.155 4.155 2.068 2.087 18107 4255 1 10 . 1 1 43 43 SER CA C 60 63.412 63.412 60.962 2.450 18107 4256 1 10 . 1 1 43 43 SER H H 60 7.715 7.715 7.651 0.064 18107 4257 1 10 . 1 1 44 44 GLU N N 61 124.072 124.072 120.847 3.225 18107 4258 1 10 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.901 -0.275 18107 4259 1 10 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.113 1.389 18107 4260 1 10 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.591 0.203 18107 4261 1 10 . 1 1 44 44 GLU H H 61 8.517 8.517 8.086 0.431 18107 4262 1 10 . 1 1 45 45 ALA N N 62 120.467 120.467 121.957 -1.490 18107 4263 1 10 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.089 0.060 18107 4264 1 10 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.051 0.175 18107 4265 1 10 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.221 -0.376 18107 4266 1 10 . 1 1 45 45 ALA H H 62 7.853 7.853 7.614 0.239 18107 4267 1 10 . 1 1 46 46 PHE N N 63 119.936 119.936 116.930 3.006 18107 4268 1 10 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.305 -0.040 18107 4269 1 10 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.696 2.840 18107 4270 1 10 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.671 1.521 18107 4271 1 10 . 1 1 46 46 PHE H H 63 7.946 7.946 7.098 0.848 18107 4272 1 10 . 1 1 47 47 ILE N N 64 122.630 122.630 120.691 1.939 18107 4273 1 10 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.812 -0.192 18107 4274 1 10 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.424 1.933 18107 4275 1 10 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.033 1.348 18107 4276 1 10 . 1 1 47 47 ILE H H 64 8.595 8.595 8.273 0.322 18107 4277 1 10 . 1 1 48 48 GLU N N 65 120.257 120.257 119.405 0.852 18107 4278 1 10 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.966 0.623 18107 4279 1 10 . 1 1 48 48 GLU CA C 65 59.356 59.356 60.011 -0.655 18107 4280 1 10 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.537 0.064 18107 4281 1 10 . 1 1 48 48 GLU H H 65 9.078 9.078 8.230 0.848 18107 4282 1 10 . 1 1 49 49 GLY N N 66 108.368 108.368 107.262 1.106 18107 4283 1 10 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.715 0.438 18107 4284 1 10 . 1 1 49 49 GLY H H 66 8.379 8.379 8.584 -0.205 18107 4285 1 10 . 1 1 50 50 SER N N 67 119.358 119.358 117.628 1.730 18107 4286 1 10 . 1 1 50 50 SER HA H 67 3.988 3.988 4.112 -0.124 18107 4287 1 10 . 1 1 50 50 SER CA C 67 62.501 62.501 61.215 1.286 18107 4288 1 10 . 1 1 50 50 SER CB C 67 63.441 63.441 63.187 0.254 18107 4289 1 10 . 1 1 50 50 SER H H 67 7.694 7.694 8.122 -0.428 18107 4290 1 10 . 1 1 51 51 ARG N N 68 121.212 121.212 119.625 1.587 18107 4291 1 10 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.232 -0.324 18107 4292 1 10 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.854 2.187 18107 4293 1 10 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.590 1.167 18107 4294 1 10 . 1 1 51 51 ARG H H 68 8.684 8.684 8.104 0.580 18107 4295 1 10 . 1 1 52 52 GLY N N 69 124.556 124.556 107.133 17.423 18107 4296 1 10 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.654 0.609 18107 4297 1 10 . 1 1 52 52 GLY H H 69 8.068 8.068 8.311 -0.243 18107 4298 1 10 . 1 1 53 53 TYR N N 70 123.123 123.123 123.401 -0.278 18107 4299 1 10 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.125 -0.056 18107 4300 1 10 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.386 -0.566 18107 4301 1 10 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.477 -0.730 18107 4302 1 10 . 1 1 53 53 TYR H H 70 7.337 7.337 7.602 -0.265 18107 4303 1 10 . 1 1 54 54 PHE N N 71 117.809 117.809 117.896 -0.087 18107 4304 1 10 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.894 -0.227 18107 4305 1 10 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.741 -0.252 18107 4306 1 10 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.879 0.870 18107 4307 1 10 . 1 1 54 54 PHE H H 71 7.965 7.965 7.581 0.384 18107 4308 1 10 . 1 1 55 55 GLN N N 72 115.519 115.519 118.359 -2.840 18107 4309 1 10 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.033 -0.175 18107 4310 1 10 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.298 0.310 18107 4311 1 10 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.573 0.423 18107 4312 1 10 . 1 1 55 55 GLN H H 72 8.522 8.522 7.899 0.623 18107 4313 1 10 . 1 1 56 56 ARG N N 73 118.947 118.947 118.475 0.472 18107 4314 1 10 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.032 -0.160 18107 4315 1 10 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.959 0.962 18107 4316 1 10 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.958 0.128 18107 4317 1 10 . 1 1 56 56 ARG H H 73 7.677 7.677 7.544 0.133 18107 4318 1 10 . 1 1 57 57 GLU N N 74 121.204 121.204 120.776 0.428 18107 4319 1 10 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.940 -0.258 18107 4320 1 10 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.155 -0.221 18107 4321 1 10 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.969 0.724 18107 4322 1 10 . 1 1 57 57 GLU H H 74 7.897 7.897 8.222 -0.325 18107 4323 1 10 . 1 1 58 58 LEU N N 75 115.348 115.348 119.195 -3.847 18107 4324 1 10 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.135 -0.075 18107 4325 1 10 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.535 -0.641 18107 4326 1 10 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.089 0.241 18107 4327 1 10 . 1 1 58 58 LEU H H 75 7.746 7.746 7.706 0.040 18107 4328 1 10 . 1 1 59 59 LYS N N 76 117.429 117.429 116.079 1.350 18107 4329 1 10 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.311 -0.111 18107 4330 1 10 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.701 -0.093 18107 4331 1 10 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.332 0.551 18107 4332 1 10 . 1 1 59 59 LYS H H 76 7.233 7.233 7.713 -0.480 18107 4333 1 10 . 1 1 60 60 ARG N N 77 120.555 120.555 121.039 -0.484 18107 4334 1 10 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.089 0.037 18107 4335 1 10 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.716 -1.017 18107 4336 1 10 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.481 1.317 18107 4337 1 10 . 1 1 60 60 ARG H H 77 7.701 7.701 8.006 -0.305 18107 4338 1 10 . 1 1 61 61 THR N N 78 111.768 111.768 107.604 4.164 18107 4339 1 10 . 1 1 61 61 THR HA H 78 4.414 4.414 4.080 0.334 18107 4340 1 10 . 1 1 61 61 THR CA C 78 62.557 62.557 64.276 -1.719 18107 4341 1 10 . 1 1 61 61 THR CB C 78 69.221 69.221 67.699 1.522 18107 4342 1 10 . 1 1 61 61 THR H H 78 8.638 8.638 8.208 0.430 18107 4343 1 10 . 1 1 62 62 ASP N N 79 120.616 120.616 120.237 0.379 18107 4344 1 10 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.840 -0.208 18107 4345 1 10 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.505 -1.543 18107 4346 1 10 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.545 -1.299 18107 4347 1 10 . 1 1 62 62 ASP H H 79 8.465 8.465 8.598 -0.133 18107 4348 1 10 . 1 1 63 63 LEU N N 80 120.063 120.063 117.691 2.372 18107 4349 1 10 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.767 -0.522 18107 4350 1 10 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.873 1.339 18107 4351 1 10 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.503 -1.708 18107 4352 1 10 . 1 1 63 63 LEU H H 80 7.157 7.157 7.555 -0.398 18107 4353 1 10 . 1 1 64 64 ASP N N 81 125.396 125.396 122.157 3.239 18107 4354 1 10 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.929 -0.360 18107 4355 1 10 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.093 0.884 18107 4356 1 10 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.262 -0.462 18107 4357 1 10 . 1 1 64 64 ASP H H 81 8.926 8.926 8.237 0.689 18107 4358 1 10 . 1 1 65 65 LEU N N 82 122.508 122.508 118.964 3.544 18107 4359 1 10 . 1 1 65 65 LEU HA H 82 3.838 3.838 3.924 -0.086 18107 4360 1 10 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.885 0.936 18107 4361 1 10 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.206 0.988 18107 4362 1 10 . 1 1 65 65 LEU H H 82 8.281 8.281 8.226 0.055 18107 4363 1 10 . 1 1 66 66 LEU N N 83 119.413 119.413 119.754 -0.341 18107 4364 1 10 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.251 -0.179 18107 4365 1 10 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.529 -0.501 18107 4366 1 10 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.770 0.581 18107 4367 1 10 . 1 1 66 66 LEU H H 83 8.149 8.149 7.846 0.303 18107 4368 1 10 . 1 1 67 67 GLU N N 84 119.941 119.941 118.163 1.778 18107 4369 1 10 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.779 0.067 18107 4370 1 10 . 1 1 67 67 GLU CA C 84 58.523 58.523 58.849 -0.326 18107 4371 1 10 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.739 1.473 18107 4372 1 10 . 1 1 67 67 GLU H H 84 7.725 7.725 8.390 -0.665 18107 4373 1 10 . 1 1 68 68 LYS N N 85 119.400 119.400 119.875 -0.475 18107 4374 1 10 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.814 -0.013 18107 4375 1 10 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.129 1.691 18107 4376 1 10 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.059 0.856 18107 4377 1 10 . 1 1 68 68 LYS H H 85 8.117 8.117 8.147 -0.030 18107 4378 1 10 . 1 1 69 69 PHE N N 86 117.969 117.969 118.417 -0.448 18107 4379 1 10 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.178 0.111 18107 4380 1 10 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.351 0.518 18107 4381 1 10 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.443 0.312 18107 4382 1 10 . 1 1 69 69 PHE H H 86 7.975 7.975 8.186 -0.211 18107 4383 1 10 . 1 1 70 70 ASN N N 87 118.904 118.904 118.529 0.375 18107 4384 1 10 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.401 -0.040 18107 4385 1 10 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.727 -0.459 18107 4386 1 10 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.670 -0.572 18107 4387 1 10 . 1 1 70 70 ASN H H 87 8.259 8.259 7.266 0.993 18107 4388 1 10 . 1 1 71 71 PHE N N 88 121.068 121.068 118.512 2.556 18107 4389 1 10 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.288 0.978 18107 4390 1 10 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.470 1.317 18107 4391 1 10 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.057 0.973 18107 4392 1 10 . 1 1 71 71 PHE H H 88 8.618 8.618 7.370 1.248 18107 4393 1 10 . 1 1 72 72 GLU N N 89 120.500 120.500 119.773 0.727 18107 4394 1 10 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.995 -0.142 18107 4395 1 10 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.104 1.393 18107 4396 1 10 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.243 0.268 18107 4397 1 10 . 1 1 72 72 GLU H H 89 8.709 8.709 8.754 -0.045 18107 4398 1 10 . 1 1 73 73 ALA N N 90 123.117 123.117 122.312 0.805 18107 4399 1 10 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.197 -0.159 18107 4400 1 10 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.854 0.147 18107 4401 1 10 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.161 -0.213 18107 4402 1 10 . 1 1 73 73 ALA H H 90 8.158 8.158 8.004 0.154 18107 4403 1 10 . 1 1 74 74 ALA N N 91 122.919 122.919 121.475 1.444 18107 4404 1 10 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.304 -0.353 18107 4405 1 10 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.478 0.801 18107 4406 1 10 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.509 -0.843 18107 4407 1 10 . 1 1 74 74 ALA H H 91 7.841 7.841 8.181 -0.340 18107 4408 1 10 . 1 1 75 75 LEU N N 92 119.956 119.956 119.660 0.296 18107 4409 1 10 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.244 -0.197 18107 4410 1 10 . 1 1 75 75 LEU CA C 92 58.459 58.459 57.854 0.605 18107 4411 1 10 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.785 0.374 18107 4412 1 10 . 1 1 75 75 LEU H H 92 8.091 8.091 8.472 -0.381 18107 4413 1 10 . 1 1 76 76 ALA N N 93 120.763 120.763 121.171 -0.408 18107 4414 1 10 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.127 0.003 18107 4415 1 10 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.308 0.096 18107 4416 1 10 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.217 -0.347 18107 4417 1 10 . 1 1 76 76 ALA H H 93 7.774 7.774 7.895 -0.121 18107 4418 1 10 . 1 1 77 77 THR N N 94 117.510 117.510 115.800 1.710 18107 4419 1 10 . 1 1 77 77 THR HA H 94 4.234 4.234 4.020 0.214 18107 4420 1 10 . 1 1 77 77 THR CA C 94 67.364 67.364 67.270 0.094 18107 4421 1 10 . 1 1 77 77 THR CB C 94 68.779 68.779 68.960 -0.181 18107 4422 1 10 . 1 1 77 77 THR H H 94 8.188 8.188 7.806 0.382 18107 4423 1 10 . 1 1 78 78 GLY N N 95 110.009 110.009 109.294 0.715 18107 4424 1 10 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.552 1.598 18107 4425 1 10 . 1 1 78 78 GLY H H 95 8.547 8.547 8.767 -0.220 18107 4426 1 10 . 1 1 79 79 ASP N N 96 121.634 121.634 123.002 -1.368 18107 4427 1 10 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.398 -0.130 18107 4428 1 10 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.788 0.148 18107 4429 1 10 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.663 -0.023 18107 4430 1 10 . 1 1 79 79 ASP H H 96 8.548 8.548 8.232 0.316 18107 4431 1 10 . 1 1 80 80 LEU N N 97 122.599 122.599 119.486 3.113 18107 4432 1 10 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.242 -0.234 18107 4433 1 10 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.413 0.029 18107 4434 1 10 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.876 0.053 18107 4435 1 10 . 1 1 80 80 LEU H H 97 7.618 7.618 7.665 -0.047 18107 4436 1 10 . 1 1 81 81 LEU N N 98 119.913 119.913 117.258 2.655 18107 4437 1 10 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.178 -0.147 18107 4438 1 10 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.866 -0.058 18107 4439 1 10 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.260 1.101 18107 4440 1 10 . 1 1 81 81 LEU H H 98 8.224 8.224 7.632 0.592 18107 4441 1 10 . 1 1 82 82 LEU N N 99 118.616 118.616 121.119 -2.503 18107 4442 1 10 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.853 0.122 18107 4443 1 10 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.048 0.021 18107 4444 1 10 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.662 0.503 18107 4445 1 10 . 1 1 82 82 LEU H H 99 8.359 8.359 8.564 -0.205 18107 4446 1 10 . 1 1 83 83 LYS N N 100 118.988 118.988 119.175 -0.187 18107 4447 1 10 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.971 -0.087 18107 4448 1 10 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.737 0.530 18107 4449 1 10 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.016 0.155 18107 4450 1 10 . 1 1 83 83 LYS H H 100 7.566 7.566 7.883 -0.317 18107 4451 1 10 . 1 1 84 84 ASP N N 101 121.591 121.591 120.856 0.735 18107 4452 1 10 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.506 -0.109 18107 4453 1 10 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.876 0.820 18107 4454 1 10 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.793 -0.388 18107 4455 1 10 . 1 1 84 84 ASP H H 101 7.743 7.743 7.897 -0.154 18107 4456 1 10 . 1 1 85 85 LEU N N 102 123.215 123.215 120.736 2.479 18107 4457 1 10 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.888 -0.038 18107 4458 1 10 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.685 1.156 18107 4459 1 10 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.938 0.633 18107 4460 1 10 . 1 1 85 85 LEU H H 102 8.760 8.760 8.358 0.402 18107 4461 1 10 . 1 1 86 86 LYS N N 103 119.648 119.648 118.449 1.199 18107 4462 1 10 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.964 0.104 18107 4463 1 10 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.732 -0.940 18107 4464 1 10 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.904 -0.772 18107 4465 1 10 . 1 1 86 86 LYS H H 103 8.883 8.883 7.784 1.099 18107 4466 1 10 . 1 1 87 87 ALA N N 104 122.844 122.844 121.776 1.068 18107 4467 1 10 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.235 -0.075 18107 4468 1 10 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.818 0.482 18107 4469 1 10 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.409 -0.389 18107 4470 1 10 . 1 1 87 87 ALA H H 104 7.721 7.721 7.644 0.077 18107 4471 1 10 . 1 1 88 88 LEU N N 105 120.380 120.380 118.747 1.633 18107 4472 1 10 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.063 -0.071 18107 4473 1 10 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.038 0.148 18107 4474 1 10 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.259 1.545 18107 4475 1 10 . 1 1 88 88 LEU H H 105 7.762 7.762 8.326 -0.564 18107 4476 1 10 . 1 1 89 89 GLN N N 106 118.781 118.781 119.311 -0.530 18107 4477 1 10 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.885 -0.300 18107 4478 1 10 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.432 0.545 18107 4479 1 10 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.536 1.091 18107 4480 1 10 . 1 1 89 89 GLN H H 106 8.658 8.658 8.294 0.364 18107 4481 1 10 . 1 1 90 90 LYS N N 107 118.977 118.977 119.057 -0.080 18107 4482 1 10 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.091 -0.143 18107 4483 1 10 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.431 1.064 18107 4484 1 10 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.744 0.679 18107 4485 1 10 . 1 1 90 90 LYS H H 107 7.786 7.786 7.686 0.100 18107 4486 1 10 . 1 1 91 91 ARG N N 108 117.470 117.470 120.063 -2.593 18107 4487 1 10 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.082 -0.079 18107 4488 1 10 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.487 0.095 18107 4489 1 10 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.267 1.361 18107 4490 1 10 . 1 1 91 91 ARG H H 108 7.469 7.469 7.640 -0.171 18107 4491 1 10 . 1 1 92 92 VAL N N 109 117.865 117.865 120.351 -2.486 18107 4492 1 10 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.740 -0.258 18107 4493 1 10 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.098 0.513 18107 4494 1 10 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.189 1.022 18107 4495 1 10 . 1 1 92 92 VAL H H 109 8.084 8.084 8.611 -0.527 18107 4496 1 10 . 1 1 93 93 GLN N N 110 119.617 119.617 118.675 0.942 18107 4497 1 10 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.064 -0.188 18107 4498 1 10 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.756 0.478 18107 4499 1 10 . 1 1 93 93 GLN CB C 110 29.024 29.024 27.989 1.035 18107 4500 1 10 . 1 1 93 93 GLN H H 110 8.512 8.512 8.624 -0.112 18107 4501 1 10 . 1 1 94 94 ASP N N 111 117.490 117.490 121.007 -3.517 18107 4502 1 10 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.451 0.040 18107 4503 1 10 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.736 -1.454 18107 4504 1 10 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.596 0.239 18107 4505 1 10 . 1 1 94 94 ASP H H 111 8.194 8.194 8.315 -0.121 18107 4506 1 10 . 1 1 95 95 SER N N 112 116.625 116.625 113.363 3.262 18107 4507 1 10 . 1 1 95 95 SER HA H 112 4.288 4.288 4.141 0.147 18107 4508 1 10 . 1 1 95 95 SER CA C 112 59.770 59.770 60.775 -1.005 18107 4509 1 10 . 1 1 95 95 SER CB C 112 63.990 63.990 63.490 0.500 18107 4510 1 10 . 1 1 95 95 SER H H 112 7.479 7.479 7.828 -0.349 18107 4511 1 11 . 1 1 2 2 THR HA H 19 4.222 4.222 4.245 -0.023 18107 4512 1 11 . 1 1 2 2 THR CA C 19 63.013 63.013 64.827 -1.814 18107 4513 1 11 . 1 1 2 2 THR CB C 19 69.504 69.504 68.612 0.892 18107 4514 1 11 . 1 1 3 3 ALA N N 20 125.065 125.065 124.051 1.014 18107 4515 1 11 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.919 0.231 18107 4516 1 11 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.205 -0.249 18107 4517 1 11 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.856 1.141 18107 4518 1 11 . 1 1 3 3 ALA H H 20 8.404 8.404 8.657 -0.253 18107 4519 1 11 . 1 1 4 4 THR N N 21 109.840 109.840 111.133 -1.293 18107 4520 1 11 . 1 1 4 4 THR HA H 21 4.235 4.235 4.020 0.215 18107 4521 1 11 . 1 1 4 4 THR CA C 21 64.668 64.668 64.835 -0.167 18107 4522 1 11 . 1 1 4 4 THR CB C 21 68.923 68.923 67.598 1.325 18107 4523 1 11 . 1 1 4 4 THR H H 21 7.910 7.910 7.980 -0.070 18107 4524 1 11 . 1 1 5 5 GLN N N 22 122.037 122.037 120.208 1.829 18107 4525 1 11 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.919 0.132 18107 4526 1 11 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.839 -0.675 18107 4527 1 11 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.544 0.013 18107 4528 1 11 . 1 1 5 5 GLN H H 22 7.953 7.953 7.554 0.399 18107 4529 1 11 . 1 1 6 6 ARG N N 23 118.944 118.944 119.599 -0.655 18107 4530 1 11 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.079 0.027 18107 4531 1 11 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.650 -0.558 18107 4532 1 11 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.428 -0.281 18107 4533 1 11 . 1 1 6 6 ARG H H 23 7.922 7.922 7.552 0.370 18107 4534 1 11 . 1 1 7 7 PHE N N 24 116.543 116.543 114.281 2.262 18107 4535 1 11 . 1 1 7 7 PHE H H 24 8.276 8.276 7.634 0.642 18107 4536 1 11 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.653 -0.158 18107 4537 1 11 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.708 1.312 18107 4538 1 11 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.893 -0.841 18107 4539 1 11 . 1 1 9 9 GLU N N 26 118.298 118.298 120.202 -1.904 18107 4540 1 11 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.097 -0.107 18107 4541 1 11 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.894 -0.516 18107 4542 1 11 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.364 -0.052 18107 4543 1 11 . 1 1 9 9 GLU H H 26 8.148 8.148 8.619 -0.471 18107 4544 1 11 . 1 1 10 10 ILE N N 27 121.761 121.761 116.817 4.944 18107 4545 1 11 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.768 0.196 18107 4546 1 11 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.502 -1.039 18107 4547 1 11 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.803 -0.553 18107 4548 1 11 . 1 1 10 10 ILE H H 27 8.165 8.165 8.106 0.059 18107 4549 1 11 . 1 1 11 11 GLU N N 28 122.042 122.042 120.842 1.200 18107 4550 1 11 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.993 -0.156 18107 4551 1 11 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.148 0.480 18107 4552 1 11 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.349 0.657 18107 4553 1 11 . 1 1 11 11 GLU H H 28 8.541 8.541 7.930 0.611 18107 4554 1 11 . 1 1 12 12 LYS N N 29 117.967 117.967 118.953 -0.986 18107 4555 1 11 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.072 -0.130 18107 4556 1 11 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.407 0.334 18107 4557 1 11 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.352 0.099 18107 4558 1 11 . 1 1 12 12 LYS H H 29 7.517 7.517 7.958 -0.441 18107 4559 1 11 . 1 1 13 13 PHE N N 30 122.144 122.144 119.701 2.443 18107 4560 1 11 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.266 0.163 18107 4561 1 11 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.612 -0.825 18107 4562 1 11 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.707 0.504 18107 4563 1 11 . 1 1 13 13 PHE H H 30 8.066 8.066 8.020 0.046 18107 4564 1 11 . 1 1 14 14 LEU N N 31 119.404 119.404 118.184 1.220 18107 4565 1 11 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.096 -0.362 18107 4566 1 11 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.672 -0.908 18107 4567 1 11 . 1 1 14 14 LEU CB C 31 41.436 41.436 40.759 0.677 18107 4568 1 11 . 1 1 14 14 LEU H H 31 8.739 8.739 8.423 0.316 18107 4569 1 11 . 1 1 15 15 LEU N N 32 121.073 121.073 115.984 5.089 18107 4570 1 11 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.239 -0.279 18107 4571 1 11 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.023 0.309 18107 4572 1 11 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.733 1.229 18107 4573 1 11 . 1 1 15 15 LEU H H 32 7.736 7.736 7.734 0.002 18107 4574 1 11 . 1 1 16 16 HIS N N 33 118.629 118.629 119.072 -0.443 18107 4575 1 11 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.322 0.024 18107 4576 1 11 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.257 -0.612 18107 4577 1 11 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.843 -0.542 18107 4578 1 11 . 1 1 16 16 HIS H H 33 7.681 7.681 8.482 -0.801 18107 4579 1 11 . 1 1 17 17 ILE N N 34 118.602 118.602 119.754 -1.152 18107 4580 1 11 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.822 -0.017 18107 4581 1 11 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.856 -1.349 18107 4582 1 11 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.106 -0.661 18107 4583 1 11 . 1 1 17 17 ILE H H 34 8.502 8.502 8.733 -0.231 18107 4584 1 11 . 1 1 18 18 THR N N 35 117.776 117.776 116.456 1.320 18107 4585 1 11 . 1 1 18 18 THR HA H 35 4.116 4.116 3.930 0.186 18107 4586 1 11 . 1 1 18 18 THR CA C 35 68.694 68.694 67.902 0.792 18107 4587 1 11 . 1 1 18 18 THR CB C 35 68.694 68.694 68.592 0.102 18107 4588 1 11 . 1 1 18 18 THR H H 35 7.726 7.726 7.879 -0.153 18107 4589 1 11 . 1 1 19 19 HIS N N 36 118.130 118.130 120.197 -2.067 18107 4590 1 11 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.214 0.187 18107 4591 1 11 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.695 -0.909 18107 4592 1 11 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.712 -0.642 18107 4593 1 11 . 1 1 19 19 HIS H H 36 7.177 7.177 7.831 -0.654 18107 4594 1 11 . 1 1 20 20 GLU N N 37 119.301 119.301 118.764 0.537 18107 4595 1 11 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.047 0.003 18107 4596 1 11 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.209 0.348 18107 4597 1 11 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.544 0.512 18107 4598 1 11 . 1 1 20 20 GLU H H 37 7.335 7.335 7.798 -0.463 18107 4599 1 11 . 1 1 21 21 VAL N N 38 122.744 122.744 119.765 2.979 18107 4600 1 11 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.661 -0.239 18107 4601 1 11 . 1 1 21 21 VAL CA C 38 67.049 67.049 65.560 1.489 18107 4602 1 11 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.063 0.310 18107 4603 1 11 . 1 1 21 21 VAL H H 38 8.385 8.385 7.727 0.658 18107 4604 1 11 . 1 1 22 22 ASP N N 39 120.471 120.471 120.211 0.260 18107 4605 1 11 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.310 -0.163 18107 4606 1 11 . 1 1 22 22 ASP CA C 39 57.726 57.726 58.082 -0.356 18107 4607 1 11 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.603 -0.216 18107 4608 1 11 . 1 1 22 22 ASP H H 39 8.054 8.054 7.668 0.387 18107 4609 1 11 . 1 1 23 23 ASP N N 40 118.541 118.541 119.850 -1.309 18107 4610 1 11 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.333 0.087 18107 4611 1 11 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.473 0.014 18107 4612 1 11 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.142 0.032 18107 4613 1 11 . 1 1 23 23 ASP H H 40 7.587 7.587 7.632 -0.045 18107 4614 1 11 . 1 1 24 24 LEU N N 41 123.241 123.241 116.591 6.650 18107 4615 1 11 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.131 0.037 18107 4616 1 11 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.123 -0.416 18107 4617 1 11 . 1 1 24 24 LEU CB C 41 41.909 41.909 40.825 1.084 18107 4618 1 11 . 1 1 24 24 LEU H H 41 8.032 8.032 8.345 -0.313 18107 4619 1 11 . 1 1 25 25 GLU N N 42 117.508 117.508 119.582 -2.074 18107 4620 1 11 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.015 -0.095 18107 4621 1 11 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.161 -0.079 18107 4622 1 11 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.470 0.393 18107 4623 1 11 . 1 1 25 25 GLU H H 42 8.010 8.010 8.208 -0.198 18107 4624 1 11 . 1 1 26 26 LYS N N 43 117.032 117.032 115.152 1.880 18107 4625 1 11 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.399 -0.156 18107 4626 1 11 . 1 1 26 26 LYS CA C 43 58.251 58.251 56.267 1.984 18107 4627 1 11 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.522 0.985 18107 4628 1 11 . 1 1 26 26 LYS H H 43 7.596 7.596 7.631 -0.035 18107 4629 1 11 . 1 1 27 27 THR N N 44 110.288 110.288 111.950 -1.662 18107 4630 1 11 . 1 1 27 27 THR HA H 44 4.271 4.271 4.401 -0.130 18107 4631 1 11 . 1 1 27 27 THR CA C 44 62.820 62.820 63.384 -0.564 18107 4632 1 11 . 1 1 27 27 THR CB C 44 70.733 70.733 70.627 0.106 18107 4633 1 11 . 1 1 27 27 THR H H 44 8.227 8.227 7.599 0.628 18107 4634 1 11 . 1 1 28 28 GLY N N 45 112.257 112.257 109.078 3.179 18107 4635 1 11 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.709 0.952 18107 4636 1 11 . 1 1 28 28 GLY H H 45 8.727 8.727 8.244 0.483 18107 4637 1 11 . 1 1 29 29 ASN N N 46 118.416 118.416 118.223 0.193 18107 4638 1 11 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.317 0.152 18107 4639 1 11 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.673 0.624 18107 4640 1 11 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.694 2.416 18107 4641 1 11 . 1 1 29 29 ASN H H 46 7.716 7.716 8.116 -0.400 18107 4642 1 11 . 1 1 30 30 LYS N N 47 126.481 126.481 118.708 7.773 18107 4643 1 11 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.064 -0.076 18107 4644 1 11 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.388 0.803 18107 4645 1 11 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.560 -0.047 18107 4646 1 11 . 1 1 30 30 LYS H H 47 8.770 8.770 8.534 0.236 18107 4647 1 11 . 1 1 31 31 ASP N N 48 121.710 121.710 114.872 6.838 18107 4648 1 11 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.810 -0.343 18107 4649 1 11 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.120 3.515 18107 4650 1 11 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.169 -0.725 18107 4651 1 11 . 1 1 31 31 ASP H H 48 8.229 8.229 8.166 0.063 18107 4652 1 11 . 1 1 32 32 GLU N N 49 121.695 121.695 120.384 1.311 18107 4653 1 11 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.167 0.190 18107 4654 1 11 . 1 1 32 32 GLU H H 49 8.048 8.048 8.733 -0.685 18107 4655 1 11 . 1 1 33 33 LYS N N 50 120.099 120.099 120.096 0.003 18107 4656 1 11 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.940 -0.289 18107 4657 1 11 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.585 0.252 18107 4658 1 11 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.733 1.234 18107 4659 1 11 . 1 1 33 33 LYS H H 50 7.975 7.975 8.516 -0.541 18107 4660 1 11 . 1 1 34 34 ALA N N 51 118.238 118.238 120.195 -1.957 18107 4661 1 11 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.996 -0.007 18107 4662 1 11 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.159 0.234 18107 4663 1 11 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.305 -0.093 18107 4664 1 11 . 1 1 34 34 ALA H H 51 7.614 7.614 8.350 -0.736 18107 4665 1 11 . 1 1 35 35 ARG N N 52 120.311 120.311 119.684 0.627 18107 4666 1 11 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.135 1.756 18107 4667 1 11 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.372 1.678 18107 4668 1 11 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.107 0.304 18107 4669 1 11 . 1 1 35 35 ARG H H 52 7.883 7.883 7.720 0.163 18107 4670 1 11 . 1 1 36 36 LEU N N 53 119.541 119.541 119.428 0.113 18107 4671 1 11 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.191 -0.245 18107 4672 1 11 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.230 0.259 18107 4673 1 11 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.254 1.188 18107 4674 1 11 . 1 1 36 36 LEU H H 53 8.553 8.553 8.549 0.004 18107 4675 1 11 . 1 1 37 37 LEU N N 54 117.789 117.789 120.507 -2.718 18107 4676 1 11 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.878 0.187 18107 4677 1 11 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.179 0.463 18107 4678 1 11 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.436 -0.117 18107 4679 1 11 . 1 1 37 37 LEU H H 54 8.341 8.341 8.390 -0.049 18107 4680 1 11 . 1 1 38 38 ARG N N 55 121.176 121.176 118.009 3.167 18107 4681 1 11 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.073 -0.005 18107 4682 1 11 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.176 1.149 18107 4683 1 11 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.809 0.261 18107 4684 1 11 . 1 1 38 38 ARG H H 55 7.864 7.864 7.813 0.051 18107 4685 1 11 . 1 1 39 39 GLU N N 56 119.256 119.256 120.775 -1.519 18107 4686 1 11 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.132 -0.072 18107 4687 1 11 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.862 0.032 18107 4688 1 11 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.607 0.294 18107 4689 1 11 . 1 1 39 39 GLU H H 56 8.390 8.390 7.741 0.649 18107 4690 1 11 . 1 1 40 40 LEU N N 57 120.312 120.312 117.531 2.781 18107 4691 1 11 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.256 -0.128 18107 4692 1 11 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.417 0.204 18107 4693 1 11 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.419 0.810 18107 4694 1 11 . 1 1 40 40 LEU H H 57 8.802 8.802 8.288 0.514 18107 4695 1 11 . 1 1 41 41 THR N N 58 117.791 117.791 117.331 0.460 18107 4696 1 11 . 1 1 41 41 THR HA H 58 4.341 4.341 3.897 0.444 18107 4697 1 11 . 1 1 41 41 THR CA C 58 67.542 67.542 66.905 0.637 18107 4698 1 11 . 1 1 41 41 THR CB C 58 69.157 69.157 68.516 0.641 18107 4699 1 11 . 1 1 41 41 THR H H 58 8.182 8.182 7.879 0.303 18107 4700 1 11 . 1 1 42 42 VAL N N 59 123.554 123.554 120.909 2.645 18107 4701 1 11 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.590 0.133 18107 4702 1 11 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.751 0.104 18107 4703 1 11 . 1 1 42 42 VAL H H 59 7.978 7.978 8.458 -0.480 18107 4704 1 11 . 1 1 43 43 SER N N 60 116.859 116.859 114.386 2.473 18107 4705 1 11 . 1 1 43 43 SER HA H 60 4.155 4.155 1.053 3.102 18107 4706 1 11 . 1 1 43 43 SER CA C 60 63.412 63.412 60.800 2.612 18107 4707 1 11 . 1 1 43 43 SER H H 60 7.715 7.715 7.564 0.151 18107 4708 1 11 . 1 1 44 44 GLU N N 61 124.072 124.072 120.682 3.390 18107 4709 1 11 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.763 -0.137 18107 4710 1 11 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.176 1.326 18107 4711 1 11 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.646 0.148 18107 4712 1 11 . 1 1 44 44 GLU H H 61 8.517 8.517 8.134 0.383 18107 4713 1 11 . 1 1 45 45 ALA N N 62 120.467 120.467 121.823 -1.356 18107 4714 1 11 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.093 0.056 18107 4715 1 11 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.019 0.207 18107 4716 1 11 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.160 -0.315 18107 4717 1 11 . 1 1 45 45 ALA H H 62 7.853 7.853 7.628 0.225 18107 4718 1 11 . 1 1 46 46 PHE N N 63 119.936 119.936 117.985 1.951 18107 4719 1 11 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.174 0.091 18107 4720 1 11 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.936 2.600 18107 4721 1 11 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.402 1.790 18107 4722 1 11 . 1 1 46 46 PHE H H 63 7.946 7.946 7.233 0.713 18107 4723 1 11 . 1 1 47 47 ILE N N 64 122.630 122.630 119.725 2.905 18107 4724 1 11 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.423 0.197 18107 4725 1 11 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.491 1.867 18107 4726 1 11 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.330 2.051 18107 4727 1 11 . 1 1 47 47 ILE H H 64 8.595 8.595 7.879 0.716 18107 4728 1 11 . 1 1 48 48 GLU N N 65 120.257 120.257 119.311 0.946 18107 4729 1 11 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.003 0.586 18107 4730 1 11 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.862 -0.506 18107 4731 1 11 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.259 0.342 18107 4732 1 11 . 1 1 48 48 GLU H H 65 9.078 9.078 7.965 1.113 18107 4733 1 11 . 1 1 49 49 GLY N N 66 108.368 108.368 107.380 0.988 18107 4734 1 11 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.801 0.352 18107 4735 1 11 . 1 1 49 49 GLY H H 66 8.379 8.379 8.558 -0.179 18107 4736 1 11 . 1 1 50 50 SER N N 67 119.358 119.358 118.575 0.783 18107 4737 1 11 . 1 1 50 50 SER HA H 67 3.988 3.988 4.089 -0.101 18107 4738 1 11 . 1 1 50 50 SER CA C 67 62.501 62.501 61.867 0.634 18107 4739 1 11 . 1 1 50 50 SER CB C 67 63.441 63.441 63.023 0.418 18107 4740 1 11 . 1 1 50 50 SER H H 67 7.694 7.694 8.282 -0.588 18107 4741 1 11 . 1 1 51 51 ARG N N 68 121.212 121.212 120.687 0.525 18107 4742 1 11 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.194 -0.286 18107 4743 1 11 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.027 2.014 18107 4744 1 11 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.491 1.266 18107 4745 1 11 . 1 1 51 51 ARG H H 68 8.684 8.684 8.493 0.191 18107 4746 1 11 . 1 1 52 52 GLY N N 69 124.556 124.556 107.124 17.432 18107 4747 1 11 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.620 0.643 18107 4748 1 11 . 1 1 52 52 GLY H H 69 8.068 8.068 8.196 -0.128 18107 4749 1 11 . 1 1 53 53 TYR N N 70 123.123 123.123 123.463 -0.340 18107 4750 1 11 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.118 -0.049 18107 4751 1 11 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.537 -0.717 18107 4752 1 11 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.512 -0.765 18107 4753 1 11 . 1 1 53 53 TYR H H 70 7.337 7.337 7.483 -0.146 18107 4754 1 11 . 1 1 54 54 PHE N N 71 117.809 117.809 117.903 -0.094 18107 4755 1 11 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.936 -0.269 18107 4756 1 11 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.502 -0.013 18107 4757 1 11 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.941 0.808 18107 4758 1 11 . 1 1 54 54 PHE H H 71 7.965 7.965 7.534 0.431 18107 4759 1 11 . 1 1 55 55 GLN N N 72 115.519 115.519 117.931 -2.412 18107 4760 1 11 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.053 -0.195 18107 4761 1 11 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.658 0.950 18107 4762 1 11 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.159 0.837 18107 4763 1 11 . 1 1 55 55 GLN H H 72 8.522 8.522 7.940 0.582 18107 4764 1 11 . 1 1 56 56 ARG N N 73 118.947 118.947 118.845 0.102 18107 4765 1 11 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.044 -0.172 18107 4766 1 11 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.880 1.041 18107 4767 1 11 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.956 0.130 18107 4768 1 11 . 1 1 56 56 ARG H H 73 7.677 7.677 7.668 0.009 18107 4769 1 11 . 1 1 57 57 GLU N N 74 121.204 121.204 120.623 0.581 18107 4770 1 11 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.936 -0.254 18107 4771 1 11 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.157 -0.223 18107 4772 1 11 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.972 0.721 18107 4773 1 11 . 1 1 57 57 GLU H H 74 7.897 7.897 8.124 -0.227 18107 4774 1 11 . 1 1 58 58 LEU N N 75 115.348 115.348 118.884 -3.536 18107 4775 1 11 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.180 -0.120 18107 4776 1 11 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.523 -0.629 18107 4777 1 11 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.078 0.252 18107 4778 1 11 . 1 1 58 58 LEU H H 75 7.746 7.746 7.765 -0.019 18107 4779 1 11 . 1 1 59 59 LYS N N 76 117.429 117.429 116.340 1.089 18107 4780 1 11 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.295 -0.095 18107 4781 1 11 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.735 -0.127 18107 4782 1 11 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.477 0.406 18107 4783 1 11 . 1 1 59 59 LYS H H 76 7.233 7.233 7.812 -0.579 18107 4784 1 11 . 1 1 60 60 ARG N N 77 120.555 120.555 120.556 -0.001 18107 4785 1 11 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.093 0.033 18107 4786 1 11 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.726 -1.027 18107 4787 1 11 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.395 1.403 18107 4788 1 11 . 1 1 60 60 ARG H H 77 7.701 7.701 7.910 -0.209 18107 4789 1 11 . 1 1 61 61 THR N N 78 111.768 111.768 107.112 4.656 18107 4790 1 11 . 1 1 61 61 THR HA H 78 4.414 4.414 4.072 0.342 18107 4791 1 11 . 1 1 61 61 THR CA C 78 62.557 62.557 64.210 -1.653 18107 4792 1 11 . 1 1 61 61 THR CB C 78 69.221 69.221 68.229 0.992 18107 4793 1 11 . 1 1 61 61 THR H H 78 8.638 8.638 8.214 0.424 18107 4794 1 11 . 1 1 62 62 ASP N N 79 120.616 120.616 119.827 0.789 18107 4795 1 11 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.791 -0.159 18107 4796 1 11 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.389 -1.427 18107 4797 1 11 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.548 -1.302 18107 4798 1 11 . 1 1 62 62 ASP H H 79 8.465 8.465 8.534 -0.069 18107 4799 1 11 . 1 1 63 63 LEU N N 80 120.063 120.063 116.874 3.189 18107 4800 1 11 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.090 -0.845 18107 4801 1 11 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.837 1.375 18107 4802 1 11 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.836 -2.041 18107 4803 1 11 . 1 1 63 63 LEU H H 80 7.157 7.157 7.484 -0.327 18107 4804 1 11 . 1 1 64 64 ASP N N 81 125.396 125.396 121.774 3.622 18107 4805 1 11 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.924 -0.355 18107 4806 1 11 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.554 1.423 18107 4807 1 11 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.474 -1.673 18107 4808 1 11 . 1 1 64 64 ASP H H 81 8.926 8.926 8.209 0.717 18107 4809 1 11 . 1 1 65 65 LEU N N 82 122.508 122.508 121.808 0.700 18107 4810 1 11 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.194 -0.356 18107 4811 1 11 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.638 1.183 18107 4812 1 11 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.036 0.159 18107 4813 1 11 . 1 1 65 65 LEU H H 82 8.281 8.281 8.270 0.011 18107 4814 1 11 . 1 1 66 66 LEU N N 83 119.413 119.413 120.770 -1.357 18107 4815 1 11 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.962 0.110 18107 4816 1 11 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.241 -0.213 18107 4817 1 11 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.581 0.770 18107 4818 1 11 . 1 1 66 66 LEU H H 83 8.149 8.149 7.909 0.240 18107 4819 1 11 . 1 1 67 67 GLU N N 84 119.941 119.941 118.201 1.740 18107 4820 1 11 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.749 0.097 18107 4821 1 11 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.793 -1.270 18107 4822 1 11 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.277 0.935 18107 4823 1 11 . 1 1 67 67 GLU H H 84 7.725 7.725 8.565 -0.840 18107 4824 1 11 . 1 1 68 68 LYS N N 85 119.400 119.400 119.755 -0.355 18107 4825 1 11 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.848 -0.047 18107 4826 1 11 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.495 1.325 18107 4827 1 11 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.380 0.535 18107 4828 1 11 . 1 1 68 68 LYS H H 85 8.117 8.117 8.133 -0.016 18107 4829 1 11 . 1 1 69 69 PHE N N 86 117.969 117.969 118.852 -0.883 18107 4830 1 11 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.169 0.120 18107 4831 1 11 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.857 0.012 18107 4832 1 11 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.427 0.328 18107 4833 1 11 . 1 1 69 69 PHE H H 86 7.975 7.975 8.363 -0.388 18107 4834 1 11 . 1 1 70 70 ASN N N 87 118.904 118.904 118.133 0.771 18107 4835 1 11 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.365 -0.004 18107 4836 1 11 . 1 1 70 70 ASN CA C 87 56.268 56.268 55.716 0.552 18107 4837 1 11 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.108 -0.010 18107 4838 1 11 . 1 1 70 70 ASN H H 87 8.259 8.259 7.382 0.877 18107 4839 1 11 . 1 1 71 71 PHE N N 88 121.068 121.068 118.368 2.700 18107 4840 1 11 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.354 0.912 18107 4841 1 11 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.253 1.534 18107 4842 1 11 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.313 0.717 18107 4843 1 11 . 1 1 71 71 PHE H H 88 8.618 8.618 7.390 1.228 18107 4844 1 11 . 1 1 72 72 GLU N N 89 120.500 120.500 120.152 0.348 18107 4845 1 11 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.964 -0.111 18107 4846 1 11 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.175 1.322 18107 4847 1 11 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.310 0.201 18107 4848 1 11 . 1 1 72 72 GLU H H 89 8.709 8.709 8.674 0.035 18107 4849 1 11 . 1 1 73 73 ALA N N 90 123.117 123.117 121.835 1.282 18107 4850 1 11 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.052 -0.014 18107 4851 1 11 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.789 0.212 18107 4852 1 11 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.072 -0.124 18107 4853 1 11 . 1 1 73 73 ALA H H 90 8.158 8.158 7.928 0.230 18107 4854 1 11 . 1 1 74 74 ALA N N 91 122.919 122.919 121.683 1.236 18107 4855 1 11 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.292 -0.341 18107 4856 1 11 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.495 0.784 18107 4857 1 11 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.494 -0.828 18107 4858 1 11 . 1 1 74 74 ALA H H 91 7.841 7.841 8.187 -0.346 18107 4859 1 11 . 1 1 75 75 LEU N N 92 119.956 119.956 119.611 0.345 18107 4860 1 11 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.129 -0.082 18107 4861 1 11 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.209 0.250 18107 4862 1 11 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.778 0.381 18107 4863 1 11 . 1 1 75 75 LEU H H 92 8.091 8.091 8.426 -0.335 18107 4864 1 11 . 1 1 76 76 ALA N N 93 120.763 120.763 121.205 -0.442 18107 4865 1 11 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.115 0.015 18107 4866 1 11 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.371 0.033 18107 4867 1 11 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.121 -0.251 18107 4868 1 11 . 1 1 76 76 ALA H H 93 7.774 7.774 7.902 -0.128 18107 4869 1 11 . 1 1 77 77 THR N N 94 117.510 117.510 116.835 0.675 18107 4870 1 11 . 1 1 77 77 THR HA H 94 4.234 4.234 3.996 0.238 18107 4871 1 11 . 1 1 77 77 THR CA C 94 67.364 67.364 68.205 -0.841 18107 4872 1 11 . 1 1 77 77 THR CB C 94 68.779 68.779 68.783 -0.004 18107 4873 1 11 . 1 1 77 77 THR H H 94 8.188 8.188 7.814 0.374 18107 4874 1 11 . 1 1 78 78 GLY N N 95 110.009 110.009 109.507 0.502 18107 4875 1 11 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.593 1.557 18107 4876 1 11 . 1 1 78 78 GLY H H 95 8.547 8.547 8.724 -0.177 18107 4877 1 11 . 1 1 79 79 ASP N N 96 121.634 121.634 122.978 -1.344 18107 4878 1 11 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.373 -0.105 18107 4879 1 11 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.034 0.902 18107 4880 1 11 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.697 -0.057 18107 4881 1 11 . 1 1 79 79 ASP H H 96 8.548 8.548 8.315 0.233 18107 4882 1 11 . 1 1 80 80 LEU N N 97 122.599 122.599 119.498 3.101 18107 4883 1 11 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.069 -0.061 18107 4884 1 11 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.754 0.688 18107 4885 1 11 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.238 -0.309 18107 4886 1 11 . 1 1 80 80 LEU H H 97 7.618 7.618 7.617 0.001 18107 4887 1 11 . 1 1 81 81 LEU N N 98 119.913 119.913 117.522 2.391 18107 4888 1 11 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.130 -0.099 18107 4889 1 11 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.083 -0.275 18107 4890 1 11 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.239 1.122 18107 4891 1 11 . 1 1 81 81 LEU H H 98 8.224 8.224 7.788 0.436 18107 4892 1 11 . 1 1 82 82 LEU N N 99 118.616 118.616 120.963 -2.347 18107 4893 1 11 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.861 0.114 18107 4894 1 11 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.022 0.047 18107 4895 1 11 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.628 0.537 18107 4896 1 11 . 1 1 82 82 LEU H H 99 8.359 8.359 8.637 -0.278 18107 4897 1 11 . 1 1 83 83 LYS N N 100 118.988 118.988 118.833 0.155 18107 4898 1 11 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.964 -0.080 18107 4899 1 11 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.008 0.259 18107 4900 1 11 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.062 0.109 18107 4901 1 11 . 1 1 83 83 LYS H H 100 7.566 7.566 7.695 -0.129 18107 4902 1 11 . 1 1 84 84 ASP N N 101 121.591 121.591 120.916 0.675 18107 4903 1 11 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.511 -0.114 18107 4904 1 11 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.601 1.095 18107 4905 1 11 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.797 -0.392 18107 4906 1 11 . 1 1 84 84 ASP H H 101 7.743 7.743 7.694 0.049 18107 4907 1 11 . 1 1 85 85 LEU N N 102 123.215 123.215 120.175 3.040 18107 4908 1 11 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.869 -0.019 18107 4909 1 11 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.125 1.716 18107 4910 1 11 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.730 0.842 18107 4911 1 11 . 1 1 85 85 LEU H H 102 8.760 8.760 8.400 0.360 18107 4912 1 11 . 1 1 86 86 LYS N N 103 119.648 119.648 118.022 1.626 18107 4913 1 11 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.115 -0.047 18107 4914 1 11 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.145 -0.353 18107 4915 1 11 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.894 -0.762 18107 4916 1 11 . 1 1 86 86 LYS H H 103 8.883 8.883 7.878 1.005 18107 4917 1 11 . 1 1 87 87 ALA N N 104 122.844 122.844 122.528 0.316 18107 4918 1 11 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.166 -0.006 18107 4919 1 11 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.750 0.550 18107 4920 1 11 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.272 -0.252 18107 4921 1 11 . 1 1 87 87 ALA H H 104 7.721 7.721 7.744 -0.023 18107 4922 1 11 . 1 1 88 88 LEU N N 105 120.380 120.380 118.793 1.587 18107 4923 1 11 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.014 -0.022 18107 4924 1 11 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.290 -0.104 18107 4925 1 11 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.075 1.729 18107 4926 1 11 . 1 1 88 88 LEU H H 105 7.762 7.762 8.300 -0.538 18107 4927 1 11 . 1 1 89 89 GLN N N 106 118.781 118.781 119.585 -0.804 18107 4928 1 11 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.912 -0.327 18107 4929 1 11 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.653 0.324 18107 4930 1 11 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.512 1.115 18107 4931 1 11 . 1 1 89 89 GLN H H 106 8.658 8.658 8.115 0.543 18107 4932 1 11 . 1 1 90 90 LYS N N 107 118.977 118.977 119.676 -0.699 18107 4933 1 11 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.094 -0.146 18107 4934 1 11 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.708 -0.213 18107 4935 1 11 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.129 0.294 18107 4936 1 11 . 1 1 90 90 LYS H H 107 7.786 7.786 7.764 0.022 18107 4937 1 11 . 1 1 91 91 ARG N N 108 117.470 117.470 120.356 -2.886 18107 4938 1 11 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.085 -0.082 18107 4939 1 11 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.422 0.160 18107 4940 1 11 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.005 1.623 18107 4941 1 11 . 1 1 91 91 ARG H H 108 7.469 7.469 7.646 -0.177 18107 4942 1 11 . 1 1 92 92 VAL N N 109 117.865 117.865 119.918 -2.053 18107 4943 1 11 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.691 -0.209 18107 4944 1 11 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.566 0.045 18107 4945 1 11 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.649 0.562 18107 4946 1 11 . 1 1 92 92 VAL H H 109 8.084 8.084 8.367 -0.283 18107 4947 1 11 . 1 1 93 93 GLN N N 110 119.617 119.617 118.589 1.028 18107 4948 1 11 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.062 -0.186 18107 4949 1 11 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.678 0.556 18107 4950 1 11 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.601 0.423 18107 4951 1 11 . 1 1 93 93 GLN H H 110 8.512 8.512 8.415 0.097 18107 4952 1 11 . 1 1 94 94 ASP N N 111 117.490 117.490 118.513 -1.023 18107 4953 1 11 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.637 -0.146 18107 4954 1 11 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.610 -0.329 18107 4955 1 11 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.727 0.108 18107 4956 1 11 . 1 1 94 94 ASP H H 111 8.194 8.194 8.285 -0.091 18107 4957 1 11 . 1 1 95 95 SER N N 112 116.625 116.625 114.147 2.478 18107 4958 1 11 . 1 1 95 95 SER HA H 112 4.288 4.288 4.244 0.044 18107 4959 1 11 . 1 1 95 95 SER CA C 112 59.770 59.770 60.627 -0.857 18107 4960 1 11 . 1 1 95 95 SER CB C 112 63.990 63.990 63.478 0.512 18107 4961 1 11 . 1 1 95 95 SER H H 112 7.479 7.479 7.832 -0.353 18107 4962 1 12 . 1 1 2 2 THR HA H 19 4.222 4.222 4.126 0.096 18107 4963 1 12 . 1 1 2 2 THR CA C 19 63.013 63.013 65.624 -2.611 18107 4964 1 12 . 1 1 2 2 THR CB C 19 69.504 69.504 68.960 0.544 18107 4965 1 12 . 1 1 3 3 ALA N N 20 125.065 125.065 124.013 1.052 18107 4966 1 12 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.971 0.179 18107 4967 1 12 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.798 0.158 18107 4968 1 12 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.048 0.949 18107 4969 1 12 . 1 1 3 3 ALA H H 20 8.404 8.404 8.389 0.015 18107 4970 1 12 . 1 1 4 4 THR N N 21 109.840 109.840 111.309 -1.469 18107 4971 1 12 . 1 1 4 4 THR HA H 21 4.235 4.235 3.979 0.256 18107 4972 1 12 . 1 1 4 4 THR CA C 21 64.668 64.668 65.054 -0.386 18107 4973 1 12 . 1 1 4 4 THR CB C 21 68.923 68.923 67.371 1.552 18107 4974 1 12 . 1 1 4 4 THR H H 21 7.910 7.910 8.364 -0.454 18107 4975 1 12 . 1 1 5 5 GLN N N 22 122.037 122.037 119.563 2.474 18107 4976 1 12 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.187 -0.136 18107 4977 1 12 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.538 -0.373 18107 4978 1 12 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.595 -0.038 18107 4979 1 12 . 1 1 5 5 GLN H H 22 7.953 7.953 7.688 0.265 18107 4980 1 12 . 1 1 6 6 ARG N N 23 118.944 118.944 119.352 -0.408 18107 4981 1 12 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.079 0.027 18107 4982 1 12 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.614 -0.522 18107 4983 1 12 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.449 -0.302 18107 4984 1 12 . 1 1 6 6 ARG H H 23 7.922 7.922 7.540 0.382 18107 4985 1 12 . 1 1 7 7 PHE N N 24 116.543 116.543 115.201 1.342 18107 4986 1 12 . 1 1 7 7 PHE H H 24 8.276 8.276 7.649 0.627 18107 4987 1 12 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.668 -0.173 18107 4988 1 12 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.069 1.951 18107 4989 1 12 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.744 -0.692 18107 4990 1 12 . 1 1 9 9 GLU N N 26 118.298 118.298 118.897 -0.599 18107 4991 1 12 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.058 -0.068 18107 4992 1 12 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.995 -0.617 18107 4993 1 12 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.332 -0.020 18107 4994 1 12 . 1 1 9 9 GLU H H 26 8.148 8.148 8.619 -0.471 18107 4995 1 12 . 1 1 10 10 ILE N N 27 121.761 121.761 117.191 4.570 18107 4996 1 12 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.809 0.155 18107 4997 1 12 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.309 0.154 18107 4998 1 12 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.914 0.336 18107 4999 1 12 . 1 1 10 10 ILE H H 27 8.165 8.165 8.157 0.008 18107 5000 1 12 . 1 1 11 11 GLU N N 28 122.042 122.042 121.165 0.877 18107 5001 1 12 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.021 -0.184 18107 5002 1 12 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.287 0.341 18107 5003 1 12 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.489 0.517 18107 5004 1 12 . 1 1 11 11 GLU H H 28 8.541 8.541 7.901 0.640 18107 5005 1 12 . 1 1 12 12 LYS N N 29 117.967 117.967 119.130 -1.163 18107 5006 1 12 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.152 -0.210 18107 5007 1 12 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.513 0.228 18107 5008 1 12 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.301 0.151 18107 5009 1 12 . 1 1 12 12 LYS H H 29 7.517 7.517 7.885 -0.368 18107 5010 1 12 . 1 1 13 13 PHE N N 30 122.144 122.144 120.724 1.420 18107 5011 1 12 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.283 0.146 18107 5012 1 12 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.456 -0.670 18107 5013 1 12 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.770 0.441 18107 5014 1 12 . 1 1 13 13 PHE H H 30 8.066 8.066 8.024 0.042 18107 5015 1 12 . 1 1 14 14 LEU N N 31 119.404 119.404 120.038 -0.634 18107 5016 1 12 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.014 -0.280 18107 5017 1 12 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.882 -1.118 18107 5018 1 12 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.620 -0.184 18107 5019 1 12 . 1 1 14 14 LEU H H 31 8.739 8.739 8.543 0.196 18107 5020 1 12 . 1 1 15 15 LEU N N 32 121.073 121.073 117.939 3.134 18107 5021 1 12 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.175 -0.215 18107 5022 1 12 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.302 0.030 18107 5023 1 12 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.266 0.696 18107 5024 1 12 . 1 1 15 15 LEU H H 32 7.736 7.736 7.797 -0.061 18107 5025 1 12 . 1 1 16 16 HIS N N 33 118.629 118.629 119.754 -1.125 18107 5026 1 12 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.371 -0.025 18107 5027 1 12 . 1 1 16 16 HIS CA C 33 59.645 59.645 60.093 -0.447 18107 5028 1 12 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.415 -0.114 18107 5029 1 12 . 1 1 16 16 HIS H H 33 7.681 7.681 8.339 -0.658 18107 5030 1 12 . 1 1 17 17 ILE N N 34 118.602 118.602 120.241 -1.639 18107 5031 1 12 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.835 -0.030 18107 5032 1 12 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.262 -1.755 18107 5033 1 12 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.966 -0.521 18107 5034 1 12 . 1 1 17 17 ILE H H 34 8.502 8.502 8.659 -0.157 18107 5035 1 12 . 1 1 18 18 THR N N 35 117.776 117.776 116.050 1.726 18107 5036 1 12 . 1 1 18 18 THR HA H 35 4.116 4.116 3.935 0.181 18107 5037 1 12 . 1 1 18 18 THR CA C 35 68.694 68.694 67.709 0.985 18107 5038 1 12 . 1 1 18 18 THR CB C 35 68.694 68.694 68.452 0.242 18107 5039 1 12 . 1 1 18 18 THR H H 35 7.726 7.726 7.873 -0.147 18107 5040 1 12 . 1 1 19 19 HIS N N 36 118.130 118.130 121.100 -2.970 18107 5041 1 12 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.161 0.240 18107 5042 1 12 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.953 -0.167 18107 5043 1 12 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.907 -0.837 18107 5044 1 12 . 1 1 19 19 HIS H H 36 7.177 7.177 7.840 -0.663 18107 5045 1 12 . 1 1 20 20 GLU N N 37 119.301 119.301 118.634 0.667 18107 5046 1 12 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.038 0.012 18107 5047 1 12 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.561 -0.004 18107 5048 1 12 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.531 0.525 18107 5049 1 12 . 1 1 20 20 GLU H H 37 7.335 7.335 7.857 -0.522 18107 5050 1 12 . 1 1 21 21 VAL N N 38 122.744 122.744 119.561 3.183 18107 5051 1 12 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.625 -0.203 18107 5052 1 12 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.614 0.435 18107 5053 1 12 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.647 -0.274 18107 5054 1 12 . 1 1 21 21 VAL H H 38 8.385 8.385 7.815 0.570 18107 5055 1 12 . 1 1 22 22 ASP N N 39 120.471 120.471 120.058 0.413 18107 5056 1 12 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.359 -0.212 18107 5057 1 12 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.953 -0.227 18107 5058 1 12 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.347 0.040 18107 5059 1 12 . 1 1 22 22 ASP H H 39 8.054 8.054 7.793 0.261 18107 5060 1 12 . 1 1 23 23 ASP N N 40 118.541 118.541 120.330 -1.789 18107 5061 1 12 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.415 0.005 18107 5062 1 12 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.688 -0.201 18107 5063 1 12 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.332 -0.158 18107 5064 1 12 . 1 1 23 23 ASP H H 40 7.587 7.587 7.934 -0.347 18107 5065 1 12 . 1 1 24 24 LEU N N 41 123.241 123.241 116.771 6.470 18107 5066 1 12 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.275 -0.107 18107 5067 1 12 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.635 0.072 18107 5068 1 12 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.422 0.487 18107 5069 1 12 . 1 1 24 24 LEU H H 41 8.032 8.032 8.259 -0.227 18107 5070 1 12 . 1 1 25 25 GLU N N 42 117.508 117.508 118.925 -1.417 18107 5071 1 12 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.040 -0.120 18107 5072 1 12 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.031 0.052 18107 5073 1 12 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.786 0.077 18107 5074 1 12 . 1 1 25 25 GLU H H 42 8.010 8.010 8.440 -0.430 18107 5075 1 12 . 1 1 26 26 LYS N N 43 117.032 117.032 116.058 0.974 18107 5076 1 12 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.286 -0.043 18107 5077 1 12 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.675 0.577 18107 5078 1 12 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.362 1.145 18107 5079 1 12 . 1 1 26 26 LYS H H 43 7.596 7.596 7.679 -0.083 18107 5080 1 12 . 1 1 27 27 THR N N 44 110.288 110.288 114.173 -3.885 18107 5081 1 12 . 1 1 27 27 THR HA H 44 4.271 4.271 4.278 -0.007 18107 5082 1 12 . 1 1 27 27 THR CA C 44 62.820 62.820 63.932 -1.113 18107 5083 1 12 . 1 1 27 27 THR CB C 44 70.733 70.733 70.163 0.570 18107 5084 1 12 . 1 1 27 27 THR H H 44 8.227 8.227 7.578 0.649 18107 5085 1 12 . 1 1 28 28 GLY N N 45 112.257 112.257 108.017 4.240 18107 5086 1 12 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.513 1.148 18107 5087 1 12 . 1 1 28 28 GLY H H 45 8.727 8.727 7.781 0.946 18107 5088 1 12 . 1 1 29 29 ASN N N 46 118.416 118.416 117.237 1.179 18107 5089 1 12 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.380 0.089 18107 5090 1 12 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.586 0.711 18107 5091 1 12 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.201 2.909 18107 5092 1 12 . 1 1 29 29 ASN H H 46 7.716 7.716 8.171 -0.455 18107 5093 1 12 . 1 1 30 30 LYS N N 47 126.481 126.481 117.883 8.598 18107 5094 1 12 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.078 -0.090 18107 5095 1 12 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.514 0.677 18107 5096 1 12 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.386 0.127 18107 5097 1 12 . 1 1 30 30 LYS H H 47 8.770 8.770 8.476 0.294 18107 5098 1 12 . 1 1 31 31 ASP N N 48 121.710 121.710 115.004 6.706 18107 5099 1 12 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.808 -0.341 18107 5100 1 12 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.523 3.112 18107 5101 1 12 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.213 -0.769 18107 5102 1 12 . 1 1 31 31 ASP H H 48 8.229 8.229 8.044 0.185 18107 5103 1 12 . 1 1 32 32 GLU N N 49 121.695 121.695 121.390 0.305 18107 5104 1 12 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.137 0.220 18107 5105 1 12 . 1 1 32 32 GLU H H 49 8.048 8.048 8.546 -0.498 18107 5106 1 12 . 1 1 33 33 LYS N N 50 120.099 120.099 119.404 0.695 18107 5107 1 12 . 1 1 33 33 LYS HA H 50 3.651 3.651 4.023 -0.372 18107 5108 1 12 . 1 1 33 33 LYS CA C 50 60.837 60.837 59.650 1.187 18107 5109 1 12 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.025 0.942 18107 5110 1 12 . 1 1 33 33 LYS H H 50 7.975 7.975 8.428 -0.453 18107 5111 1 12 . 1 1 34 34 ALA N N 51 118.238 118.238 120.660 -2.422 18107 5112 1 12 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.145 -0.156 18107 5113 1 12 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.934 0.459 18107 5114 1 12 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.195 0.017 18107 5115 1 12 . 1 1 34 34 ALA H H 51 7.614 7.614 8.178 -0.564 18107 5116 1 12 . 1 1 35 35 ARG N N 52 120.311 120.311 119.192 1.119 18107 5117 1 12 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.083 1.808 18107 5118 1 12 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.223 0.827 18107 5119 1 12 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.517 -0.106 18107 5120 1 12 . 1 1 35 35 ARG H H 52 7.883 7.883 7.956 -0.073 18107 5121 1 12 . 1 1 36 36 LEU N N 53 119.541 119.541 119.043 0.498 18107 5122 1 12 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.189 -0.243 18107 5123 1 12 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.110 0.379 18107 5124 1 12 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.438 1.004 18107 5125 1 12 . 1 1 36 36 LEU H H 53 8.553 8.553 8.424 0.129 18107 5126 1 12 . 1 1 37 37 LEU N N 54 117.789 117.789 120.348 -2.559 18107 5127 1 12 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.859 0.206 18107 5128 1 12 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.097 0.545 18107 5129 1 12 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.416 -0.097 18107 5130 1 12 . 1 1 37 37 LEU H H 54 8.341 8.341 8.096 0.245 18107 5131 1 12 . 1 1 38 38 ARG N N 55 121.176 121.176 119.140 2.036 18107 5132 1 12 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.024 0.044 18107 5133 1 12 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.873 1.452 18107 5134 1 12 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.930 0.140 18107 5135 1 12 . 1 1 38 38 ARG H H 55 7.864 7.864 7.933 -0.069 18107 5136 1 12 . 1 1 39 39 GLU N N 56 119.256 119.256 120.691 -1.435 18107 5137 1 12 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.087 -0.027 18107 5138 1 12 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.812 0.083 18107 5139 1 12 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.648 0.253 18107 5140 1 12 . 1 1 39 39 GLU H H 56 8.390 8.390 7.764 0.626 18107 5141 1 12 . 1 1 40 40 LEU N N 57 120.312 120.312 117.086 3.226 18107 5142 1 12 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.248 -0.120 18107 5143 1 12 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.357 0.264 18107 5144 1 12 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.434 0.795 18107 5145 1 12 . 1 1 40 40 LEU H H 57 8.802 8.802 8.131 0.671 18107 5146 1 12 . 1 1 41 41 THR N N 58 117.791 117.791 117.533 0.258 18107 5147 1 12 . 1 1 41 41 THR HA H 58 4.341 4.341 4.189 0.152 18107 5148 1 12 . 1 1 41 41 THR CA C 58 67.542 67.542 65.906 1.636 18107 5149 1 12 . 1 1 41 41 THR CB C 58 69.157 69.157 68.304 0.853 18107 5150 1 12 . 1 1 41 41 THR H H 58 8.182 8.182 7.909 0.273 18107 5151 1 12 . 1 1 42 42 VAL N N 59 123.554 123.554 120.977 2.577 18107 5152 1 12 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.600 0.123 18107 5153 1 12 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.762 0.093 18107 5154 1 12 . 1 1 42 42 VAL H H 59 7.978 7.978 8.468 -0.490 18107 5155 1 12 . 1 1 43 43 SER N N 60 116.859 116.859 114.569 2.290 18107 5156 1 12 . 1 1 43 43 SER HA H 60 4.155 4.155 1.935 2.220 18107 5157 1 12 . 1 1 43 43 SER CA C 60 63.412 63.412 61.327 2.085 18107 5158 1 12 . 1 1 43 43 SER H H 60 7.715 7.715 7.654 0.061 18107 5159 1 12 . 1 1 44 44 GLU N N 61 124.072 124.072 120.464 3.608 18107 5160 1 12 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.762 -0.136 18107 5161 1 12 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.163 1.339 18107 5162 1 12 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.430 0.364 18107 5163 1 12 . 1 1 44 44 GLU H H 61 8.517 8.517 8.200 0.317 18107 5164 1 12 . 1 1 45 45 ALA N N 62 120.467 120.467 122.100 -1.633 18107 5165 1 12 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.083 0.066 18107 5166 1 12 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.004 0.222 18107 5167 1 12 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.190 -0.345 18107 5168 1 12 . 1 1 45 45 ALA H H 62 7.853 7.853 7.563 0.290 18107 5169 1 12 . 1 1 46 46 PHE N N 63 119.936 119.936 117.163 2.773 18107 5170 1 12 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.238 0.027 18107 5171 1 12 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.667 2.869 18107 5172 1 12 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.566 1.626 18107 5173 1 12 . 1 1 46 46 PHE H H 63 7.946 7.946 7.083 0.863 18107 5174 1 12 . 1 1 47 47 ILE N N 64 122.630 122.630 120.161 2.469 18107 5175 1 12 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.515 0.105 18107 5176 1 12 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.712 2.646 18107 5177 1 12 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.590 1.791 18107 5178 1 12 . 1 1 47 47 ILE H H 64 8.595 8.595 8.266 0.329 18107 5179 1 12 . 1 1 48 48 GLU N N 65 120.257 120.257 119.344 0.913 18107 5180 1 12 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.978 0.611 18107 5181 1 12 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.707 -0.351 18107 5182 1 12 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.290 0.312 18107 5183 1 12 . 1 1 48 48 GLU H H 65 9.078 9.078 8.030 1.048 18107 5184 1 12 . 1 1 49 49 GLY N N 66 108.368 108.368 107.070 1.298 18107 5185 1 12 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.574 0.579 18107 5186 1 12 . 1 1 49 49 GLY H H 66 8.379 8.379 8.015 0.364 18107 5187 1 12 . 1 1 50 50 SER N N 67 119.358 119.358 117.834 1.524 18107 5188 1 12 . 1 1 50 50 SER HA H 67 3.988 3.988 4.052 -0.064 18107 5189 1 12 . 1 1 50 50 SER CA C 67 62.501 62.501 61.263 1.238 18107 5190 1 12 . 1 1 50 50 SER CB C 67 63.441 63.441 63.126 0.315 18107 5191 1 12 . 1 1 50 50 SER H H 67 7.694 7.694 8.182 -0.488 18107 5192 1 12 . 1 1 51 51 ARG N N 68 121.212 121.212 119.311 1.901 18107 5193 1 12 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.208 -0.300 18107 5194 1 12 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.831 2.211 18107 5195 1 12 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.647 1.110 18107 5196 1 12 . 1 1 51 51 ARG H H 68 8.684 8.684 8.391 0.293 18107 5197 1 12 . 1 1 52 52 GLY N N 69 124.556 124.556 107.192 17.364 18107 5198 1 12 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.632 0.631 18107 5199 1 12 . 1 1 52 52 GLY H H 69 8.068 8.068 8.280 -0.212 18107 5200 1 12 . 1 1 53 53 TYR N N 70 123.123 123.123 123.404 -0.281 18107 5201 1 12 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.126 -0.057 18107 5202 1 12 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.308 -0.488 18107 5203 1 12 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.461 -0.713 18107 5204 1 12 . 1 1 53 53 TYR H H 70 7.337 7.337 7.504 -0.167 18107 5205 1 12 . 1 1 54 54 PHE N N 71 117.809 117.809 118.307 -0.498 18107 5206 1 12 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.072 -0.405 18107 5207 1 12 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.157 0.332 18107 5208 1 12 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.823 0.926 18107 5209 1 12 . 1 1 54 54 PHE H H 71 7.965 7.965 7.553 0.412 18107 5210 1 12 . 1 1 55 55 GLN N N 72 115.519 115.519 117.911 -2.392 18107 5211 1 12 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.045 -0.187 18107 5212 1 12 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.818 0.790 18107 5213 1 12 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.547 0.449 18107 5214 1 12 . 1 1 55 55 GLN H H 72 8.522 8.522 7.991 0.531 18107 5215 1 12 . 1 1 56 56 ARG N N 73 118.947 118.947 118.713 0.234 18107 5216 1 12 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.084 -0.212 18107 5217 1 12 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.391 1.530 18107 5218 1 12 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.829 0.257 18107 5219 1 12 . 1 1 56 56 ARG H H 73 7.677 7.677 7.535 0.142 18107 5220 1 12 . 1 1 57 57 GLU N N 74 121.204 121.204 120.981 0.223 18107 5221 1 12 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.909 -0.227 18107 5222 1 12 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.168 -0.234 18107 5223 1 12 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.893 0.800 18107 5224 1 12 . 1 1 57 57 GLU H H 74 7.897 7.897 8.258 -0.361 18107 5225 1 12 . 1 1 58 58 LEU N N 75 115.348 115.348 118.444 -3.096 18107 5226 1 12 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.180 -0.120 18107 5227 1 12 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.658 -0.764 18107 5228 1 12 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.078 0.252 18107 5229 1 12 . 1 1 58 58 LEU H H 75 7.746 7.746 7.741 0.005 18107 5230 1 12 . 1 1 59 59 LYS N N 76 117.429 117.429 115.976 1.453 18107 5231 1 12 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.318 -0.118 18107 5232 1 12 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.531 0.078 18107 5233 1 12 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.526 0.357 18107 5234 1 12 . 1 1 59 59 LYS H H 76 7.233 7.233 7.811 -0.578 18107 5235 1 12 . 1 1 60 60 ARG N N 77 120.555 120.555 121.005 -0.450 18107 5236 1 12 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.061 0.065 18107 5237 1 12 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.661 -0.962 18107 5238 1 12 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.465 1.333 18107 5239 1 12 . 1 1 60 60 ARG H H 77 7.701 7.701 7.984 -0.283 18107 5240 1 12 . 1 1 61 61 THR N N 78 111.768 111.768 107.060 4.708 18107 5241 1 12 . 1 1 61 61 THR HA H 78 4.414 4.414 4.121 0.293 18107 5242 1 12 . 1 1 61 61 THR CA C 78 62.557 62.557 64.330 -1.773 18107 5243 1 12 . 1 1 61 61 THR CB C 78 69.221 69.221 67.590 1.631 18107 5244 1 12 . 1 1 61 61 THR H H 78 8.638 8.638 8.343 0.295 18107 5245 1 12 . 1 1 62 62 ASP N N 79 120.616 120.616 120.159 0.457 18107 5246 1 12 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.832 -0.200 18107 5247 1 12 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.606 -1.644 18107 5248 1 12 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.723 -1.477 18107 5249 1 12 . 1 1 62 62 ASP H H 79 8.465 8.465 8.505 -0.040 18107 5250 1 12 . 1 1 63 63 LEU N N 80 120.063 120.063 117.251 2.812 18107 5251 1 12 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.070 -0.825 18107 5252 1 12 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.688 1.524 18107 5253 1 12 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.830 -2.035 18107 5254 1 12 . 1 1 63 63 LEU H H 80 7.157 7.157 7.481 -0.324 18107 5255 1 12 . 1 1 64 64 ASP N N 81 125.396 125.396 122.274 3.122 18107 5256 1 12 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.918 -0.349 18107 5257 1 12 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.811 1.166 18107 5258 1 12 . 1 1 64 64 ASP CB C 81 42.800 42.800 44.429 -1.629 18107 5259 1 12 . 1 1 64 64 ASP H H 81 8.926 8.926 8.270 0.656 18107 5260 1 12 . 1 1 65 65 LEU N N 82 122.508 122.508 121.618 0.890 18107 5261 1 12 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.152 -0.314 18107 5262 1 12 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.599 1.222 18107 5263 1 12 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.241 -0.046 18107 5264 1 12 . 1 1 65 65 LEU H H 82 8.281 8.281 8.297 -0.016 18107 5265 1 12 . 1 1 66 66 LEU N N 83 119.413 119.413 120.939 -1.526 18107 5266 1 12 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.170 -0.098 18107 5267 1 12 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.353 -0.325 18107 5268 1 12 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.630 0.721 18107 5269 1 12 . 1 1 66 66 LEU H H 83 8.149 8.149 8.022 0.127 18107 5270 1 12 . 1 1 67 67 GLU N N 84 119.941 119.941 118.128 1.813 18107 5271 1 12 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.802 0.044 18107 5272 1 12 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.501 -0.978 18107 5273 1 12 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.120 1.092 18107 5274 1 12 . 1 1 67 67 GLU H H 84 7.725 7.725 8.488 -0.763 18107 5275 1 12 . 1 1 68 68 LYS N N 85 119.400 119.400 120.104 -0.704 18107 5276 1 12 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.764 0.037 18107 5277 1 12 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.080 1.740 18107 5278 1 12 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.127 0.788 18107 5279 1 12 . 1 1 68 68 LYS H H 85 8.117 8.117 8.138 -0.021 18107 5280 1 12 . 1 1 69 69 PHE N N 86 117.969 117.969 118.877 -0.908 18107 5281 1 12 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.097 0.192 18107 5282 1 12 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.583 -0.714 18107 5283 1 12 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.731 0.024 18107 5284 1 12 . 1 1 69 69 PHE H H 86 7.975 7.975 8.155 -0.180 18107 5285 1 12 . 1 1 70 70 ASN N N 87 118.904 118.904 118.035 0.869 18107 5286 1 12 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.386 -0.025 18107 5287 1 12 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.146 0.122 18107 5288 1 12 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.390 -0.292 18107 5289 1 12 . 1 1 70 70 ASN H H 87 8.259 8.259 7.348 0.911 18107 5290 1 12 . 1 1 71 71 PHE N N 88 121.068 121.068 117.946 3.122 18107 5291 1 12 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.517 0.749 18107 5292 1 12 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.122 1.665 18107 5293 1 12 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.442 0.588 18107 5294 1 12 . 1 1 71 71 PHE H H 88 8.618 8.618 7.423 1.195 18107 5295 1 12 . 1 1 72 72 GLU N N 89 120.500 120.500 120.684 -0.184 18107 5296 1 12 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.995 -0.142 18107 5297 1 12 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.178 1.319 18107 5298 1 12 . 1 1 72 72 GLU CB C 89 29.511 29.511 28.197 1.314 18107 5299 1 12 . 1 1 72 72 GLU H H 89 8.709 8.709 8.707 0.002 18107 5300 1 12 . 1 1 73 73 ALA N N 90 123.117 123.117 122.010 1.107 18107 5301 1 12 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.166 -0.128 18107 5302 1 12 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.718 0.283 18107 5303 1 12 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.047 -0.099 18107 5304 1 12 . 1 1 73 73 ALA H H 90 8.158 8.158 7.969 0.189 18107 5305 1 12 . 1 1 74 74 ALA N N 91 122.919 122.919 121.216 1.703 18107 5306 1 12 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.131 -0.180 18107 5307 1 12 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.389 0.890 18107 5308 1 12 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.139 -0.473 18107 5309 1 12 . 1 1 74 74 ALA H H 91 7.841 7.841 8.071 -0.230 18107 5310 1 12 . 1 1 75 75 LEU N N 92 119.956 119.956 119.537 0.419 18107 5311 1 12 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.202 -0.155 18107 5312 1 12 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.069 0.390 18107 5313 1 12 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.836 0.323 18107 5314 1 12 . 1 1 75 75 LEU H H 92 8.091 8.091 8.338 -0.247 18107 5315 1 12 . 1 1 76 76 ALA N N 93 120.763 120.763 120.908 -0.145 18107 5316 1 12 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.149 -0.019 18107 5317 1 12 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.353 0.050 18107 5318 1 12 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.202 -0.332 18107 5319 1 12 . 1 1 76 76 ALA H H 93 7.774 7.774 7.886 -0.112 18107 5320 1 12 . 1 1 77 77 THR N N 94 117.510 117.510 116.088 1.422 18107 5321 1 12 . 1 1 77 77 THR HA H 94 4.234 4.234 4.098 0.136 18107 5322 1 12 . 1 1 77 77 THR CA C 94 67.364 67.364 67.776 -0.412 18107 5323 1 12 . 1 1 77 77 THR CB C 94 68.779 68.779 68.828 -0.049 18107 5324 1 12 . 1 1 77 77 THR H H 94 8.188 8.188 7.807 0.381 18107 5325 1 12 . 1 1 78 78 GLY N N 95 110.009 110.009 109.882 0.127 18107 5326 1 12 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.754 1.396 18107 5327 1 12 . 1 1 78 78 GLY H H 95 8.547 8.547 8.828 -0.281 18107 5328 1 12 . 1 1 79 79 ASP N N 96 121.634 121.634 122.701 -1.067 18107 5329 1 12 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.429 -0.161 18107 5330 1 12 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.997 -0.061 18107 5331 1 12 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.961 -0.321 18107 5332 1 12 . 1 1 79 79 ASP H H 96 8.548 8.548 8.200 0.348 18107 5333 1 12 . 1 1 80 80 LEU N N 97 122.599 122.599 119.795 2.804 18107 5334 1 12 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.072 -0.064 18107 5335 1 12 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.866 0.576 18107 5336 1 12 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.245 -0.316 18107 5337 1 12 . 1 1 80 80 LEU H H 97 7.618 7.618 7.684 -0.066 18107 5338 1 12 . 1 1 81 81 LEU N N 98 119.913 119.913 117.909 2.004 18107 5339 1 12 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.110 -0.079 18107 5340 1 12 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.149 -0.341 18107 5341 1 12 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.239 1.122 18107 5342 1 12 . 1 1 81 81 LEU H H 98 8.224 8.224 7.893 0.331 18107 5343 1 12 . 1 1 82 82 LEU N N 99 118.616 118.616 120.745 -2.129 18107 5344 1 12 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.870 0.105 18107 5345 1 12 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.013 0.056 18107 5346 1 12 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.671 0.494 18107 5347 1 12 . 1 1 82 82 LEU H H 99 8.359 8.359 8.569 -0.210 18107 5348 1 12 . 1 1 83 83 LYS N N 100 118.988 118.988 118.923 0.065 18107 5349 1 12 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.946 -0.062 18107 5350 1 12 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.284 -0.017 18107 5351 1 12 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.061 0.110 18107 5352 1 12 . 1 1 83 83 LYS H H 100 7.566 7.566 7.867 -0.301 18107 5353 1 12 . 1 1 84 84 ASP N N 101 121.591 121.591 120.614 0.977 18107 5354 1 12 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.465 -0.068 18107 5355 1 12 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.970 0.726 18107 5356 1 12 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.057 -0.652 18107 5357 1 12 . 1 1 84 84 ASP H H 101 7.743 7.743 8.000 -0.257 18107 5358 1 12 . 1 1 85 85 LEU N N 102 123.215 123.215 120.331 2.884 18107 5359 1 12 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.878 -0.028 18107 5360 1 12 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.138 1.703 18107 5361 1 12 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.808 0.764 18107 5362 1 12 . 1 1 85 85 LEU H H 102 8.760 8.760 8.329 0.431 18107 5363 1 12 . 1 1 86 86 LYS N N 103 119.648 119.648 118.664 0.984 18107 5364 1 12 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.105 -0.037 18107 5365 1 12 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.174 -0.382 18107 5366 1 12 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.879 -0.747 18107 5367 1 12 . 1 1 86 86 LYS H H 103 8.883 8.883 7.839 1.044 18107 5368 1 12 . 1 1 87 87 ALA N N 104 122.844 122.844 122.366 0.478 18107 5369 1 12 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.178 -0.018 18107 5370 1 12 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.721 0.579 18107 5371 1 12 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.401 -0.380 18107 5372 1 12 . 1 1 87 87 ALA H H 104 7.721 7.721 7.704 0.017 18107 5373 1 12 . 1 1 88 88 LEU N N 105 120.380 120.380 118.785 1.595 18107 5374 1 12 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.067 -0.075 18107 5375 1 12 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.004 0.182 18107 5376 1 12 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.276 1.528 18107 5377 1 12 . 1 1 88 88 LEU H H 105 7.762 7.762 8.366 -0.604 18107 5378 1 12 . 1 1 89 89 GLN N N 106 118.781 118.781 119.493 -0.712 18107 5379 1 12 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.878 -0.293 18107 5380 1 12 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.592 0.385 18107 5381 1 12 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.537 1.090 18107 5382 1 12 . 1 1 89 89 GLN H H 106 8.658 8.658 8.579 0.079 18107 5383 1 12 . 1 1 90 90 LYS N N 107 118.977 118.977 119.644 -0.667 18107 5384 1 12 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.075 -0.127 18107 5385 1 12 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.765 -0.270 18107 5386 1 12 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.147 0.277 18107 5387 1 12 . 1 1 90 90 LYS H H 107 7.786 7.786 7.734 0.052 18107 5388 1 12 . 1 1 91 91 ARG N N 108 117.470 117.470 120.193 -2.723 18107 5389 1 12 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.049 -0.046 18107 5390 1 12 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.564 0.018 18107 5391 1 12 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.233 1.395 18107 5392 1 12 . 1 1 91 91 ARG H H 108 7.469 7.469 7.626 -0.157 18107 5393 1 12 . 1 1 92 92 VAL N N 109 117.865 117.865 120.046 -2.181 18107 5394 1 12 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.748 -0.266 18107 5395 1 12 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.518 1.093 18107 5396 1 12 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.188 1.023 18107 5397 1 12 . 1 1 92 92 VAL H H 109 8.084 8.084 8.476 -0.392 18107 5398 1 12 . 1 1 93 93 GLN N N 110 119.617 119.617 118.625 0.992 18107 5399 1 12 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.986 -0.110 18107 5400 1 12 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.825 0.409 18107 5401 1 12 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.495 0.529 18107 5402 1 12 . 1 1 93 93 GLN H H 110 8.512 8.512 8.444 0.068 18107 5403 1 12 . 1 1 94 94 ASP N N 111 117.490 117.490 119.620 -2.130 18107 5404 1 12 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.493 -0.002 18107 5405 1 12 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.526 -1.245 18107 5406 1 12 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.862 -0.027 18107 5407 1 12 . 1 1 94 94 ASP H H 111 8.194 8.194 8.140 0.054 18107 5408 1 12 . 1 1 95 95 SER N N 112 116.625 116.625 113.966 2.659 18107 5409 1 12 . 1 1 95 95 SER HA H 112 4.288 4.288 4.187 0.101 18107 5410 1 12 . 1 1 95 95 SER CA C 112 59.770 59.770 61.195 -1.425 18107 5411 1 12 . 1 1 95 95 SER CB C 112 63.990 63.990 63.652 0.338 18107 5412 1 12 . 1 1 95 95 SER H H 112 7.479 7.479 7.704 -0.225 18107 5413 1 13 . 1 1 2 2 THR HA H 19 4.222 4.222 4.074 0.148 18107 5414 1 13 . 1 1 2 2 THR CA C 19 63.013 63.013 66.001 -2.988 18107 5415 1 13 . 1 1 2 2 THR CB C 19 69.504 69.504 68.700 0.804 18107 5416 1 13 . 1 1 3 3 ALA N N 20 125.065 125.065 124.493 0.572 18107 5417 1 13 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.955 0.195 18107 5418 1 13 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.816 0.140 18107 5419 1 13 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.816 1.181 18107 5420 1 13 . 1 1 3 3 ALA H H 20 8.404 8.404 8.417 -0.013 18107 5421 1 13 . 1 1 4 4 THR N N 21 109.840 109.840 111.349 -1.509 18107 5422 1 13 . 1 1 4 4 THR HA H 21 4.235 4.235 3.895 0.340 18107 5423 1 13 . 1 1 4 4 THR CA C 21 64.668 64.668 64.792 -0.124 18107 5424 1 13 . 1 1 4 4 THR CB C 21 68.923 68.923 67.691 1.232 18107 5425 1 13 . 1 1 4 4 THR H H 21 7.910 7.910 8.100 -0.190 18107 5426 1 13 . 1 1 5 5 GLN N N 22 122.037 122.037 119.342 2.695 18107 5427 1 13 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.130 -0.079 18107 5428 1 13 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.385 -0.221 18107 5429 1 13 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.811 -0.254 18107 5430 1 13 . 1 1 5 5 GLN H H 22 7.953 7.953 7.765 0.188 18107 5431 1 13 . 1 1 6 6 ARG N N 23 118.944 118.944 119.530 -0.586 18107 5432 1 13 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.136 -0.030 18107 5433 1 13 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.008 0.084 18107 5434 1 13 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.259 -0.113 18107 5435 1 13 . 1 1 6 6 ARG H H 23 7.922 7.922 7.501 0.421 18107 5436 1 13 . 1 1 7 7 PHE N N 24 116.543 116.543 114.856 1.687 18107 5437 1 13 . 1 1 7 7 PHE H H 24 8.276 8.276 7.563 0.713 18107 5438 1 13 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.513 -0.018 18107 5439 1 13 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.272 1.748 18107 5440 1 13 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.307 -1.255 18107 5441 1 13 . 1 1 9 9 GLU N N 26 118.298 118.298 119.743 -1.445 18107 5442 1 13 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.092 -0.102 18107 5443 1 13 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.811 -0.433 18107 5444 1 13 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.377 -0.065 18107 5445 1 13 . 1 1 9 9 GLU H H 26 8.148 8.148 8.593 -0.445 18107 5446 1 13 . 1 1 10 10 ILE N N 27 121.761 121.761 116.701 5.060 18107 5447 1 13 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.702 0.262 18107 5448 1 13 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.947 -0.484 18107 5449 1 13 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.881 0.369 18107 5450 1 13 . 1 1 10 10 ILE H H 27 8.165 8.165 8.166 -0.001 18107 5451 1 13 . 1 1 11 11 GLU N N 28 122.042 122.042 121.423 0.619 18107 5452 1 13 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.976 -0.139 18107 5453 1 13 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.197 0.431 18107 5454 1 13 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.502 0.504 18107 5455 1 13 . 1 1 11 11 GLU H H 28 8.541 8.541 7.993 0.548 18107 5456 1 13 . 1 1 12 12 LYS N N 29 117.967 117.967 118.723 -0.756 18107 5457 1 13 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.080 -0.138 18107 5458 1 13 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.394 0.347 18107 5459 1 13 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.288 0.164 18107 5460 1 13 . 1 1 12 12 LYS H H 29 7.517 7.517 7.894 -0.377 18107 5461 1 13 . 1 1 13 13 PHE N N 30 122.144 122.144 120.220 1.924 18107 5462 1 13 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.295 0.134 18107 5463 1 13 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.198 -0.411 18107 5464 1 13 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.629 0.582 18107 5465 1 13 . 1 1 13 13 PHE H H 30 8.066 8.066 8.030 0.036 18107 5466 1 13 . 1 1 14 14 LEU N N 31 119.404 119.404 118.671 0.733 18107 5467 1 13 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.865 -0.131 18107 5468 1 13 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.028 -0.264 18107 5469 1 13 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.446 -0.010 18107 5470 1 13 . 1 1 14 14 LEU H H 31 8.739 8.739 8.304 0.435 18107 5471 1 13 . 1 1 15 15 LEU N N 32 121.073 121.073 118.457 2.616 18107 5472 1 13 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.042 -0.082 18107 5473 1 13 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.864 0.468 18107 5474 1 13 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.157 0.805 18107 5475 1 13 . 1 1 15 15 LEU H H 32 7.736 7.736 7.718 0.018 18107 5476 1 13 . 1 1 16 16 HIS N N 33 118.629 118.629 119.597 -0.968 18107 5477 1 13 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.348 -0.002 18107 5478 1 13 . 1 1 16 16 HIS CA C 33 59.645 59.645 57.676 1.969 18107 5479 1 13 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.520 0.781 18107 5480 1 13 . 1 1 16 16 HIS H H 33 7.681 7.681 8.281 -0.600 18107 5481 1 13 . 1 1 17 17 ILE N N 34 118.602 118.602 119.441 -0.839 18107 5482 1 13 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.479 0.326 18107 5483 1 13 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.138 -1.631 18107 5484 1 13 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.919 -0.473 18107 5485 1 13 . 1 1 17 17 ILE H H 34 8.502 8.502 8.506 -0.004 18107 5486 1 13 . 1 1 18 18 THR N N 35 117.776 117.776 116.178 1.598 18107 5487 1 13 . 1 1 18 18 THR HA H 35 4.116 4.116 3.848 0.268 18107 5488 1 13 . 1 1 18 18 THR CA C 35 68.694 68.694 67.660 1.034 18107 5489 1 13 . 1 1 18 18 THR CB C 35 68.694 68.694 68.676 0.018 18107 5490 1 13 . 1 1 18 18 THR H H 35 7.726 7.726 7.698 0.028 18107 5491 1 13 . 1 1 19 19 HIS N N 36 118.130 118.130 120.337 -2.207 18107 5492 1 13 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.318 0.083 18107 5493 1 13 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.173 0.613 18107 5494 1 13 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.681 -0.611 18107 5495 1 13 . 1 1 19 19 HIS H H 36 7.177 7.177 7.714 -0.537 18107 5496 1 13 . 1 1 20 20 GLU N N 37 119.301 119.301 118.907 0.394 18107 5497 1 13 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.062 -0.012 18107 5498 1 13 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.073 0.484 18107 5499 1 13 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.521 0.535 18107 5500 1 13 . 1 1 20 20 GLU H H 37 7.335 7.335 7.969 -0.634 18107 5501 1 13 . 1 1 21 21 VAL N N 38 122.744 122.744 119.575 3.169 18107 5502 1 13 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.622 -0.200 18107 5503 1 13 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.977 0.072 18107 5504 1 13 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.658 -0.285 18107 5505 1 13 . 1 1 21 21 VAL H H 38 8.385 8.385 7.821 0.564 18107 5506 1 13 . 1 1 22 22 ASP N N 39 120.471 120.471 120.167 0.304 18107 5507 1 13 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.401 -0.254 18107 5508 1 13 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.674 0.052 18107 5509 1 13 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.297 0.090 18107 5510 1 13 . 1 1 22 22 ASP H H 39 8.054 8.054 7.793 0.261 18107 5511 1 13 . 1 1 23 23 ASP N N 40 118.541 118.541 120.361 -1.820 18107 5512 1 13 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.454 -0.034 18107 5513 1 13 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.351 0.136 18107 5514 1 13 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.243 -0.069 18107 5515 1 13 . 1 1 23 23 ASP H H 40 7.587 7.587 7.822 -0.235 18107 5516 1 13 . 1 1 24 24 LEU N N 41 123.241 123.241 117.038 6.203 18107 5517 1 13 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.168 0.000 18107 5518 1 13 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.275 -0.568 18107 5519 1 13 . 1 1 24 24 LEU CB C 41 41.909 41.909 40.982 0.927 18107 5520 1 13 . 1 1 24 24 LEU H H 41 8.032 8.032 8.345 -0.313 18107 5521 1 13 . 1 1 25 25 GLU N N 42 117.508 117.508 119.907 -2.399 18107 5522 1 13 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.046 -0.126 18107 5523 1 13 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.331 -0.249 18107 5524 1 13 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.772 0.091 18107 5525 1 13 . 1 1 25 25 GLU H H 42 8.010 8.010 8.316 -0.306 18107 5526 1 13 . 1 1 26 26 LYS N N 43 117.032 117.032 115.311 1.721 18107 5527 1 13 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.391 -0.147 18107 5528 1 13 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.360 0.891 18107 5529 1 13 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.702 0.805 18107 5530 1 13 . 1 1 26 26 LYS H H 43 7.596 7.596 7.742 -0.146 18107 5531 1 13 . 1 1 27 27 THR N N 44 110.288 110.288 112.211 -1.923 18107 5532 1 13 . 1 1 27 27 THR HA H 44 4.271 4.271 4.443 -0.172 18107 5533 1 13 . 1 1 27 27 THR CA C 44 62.820 62.820 63.584 -0.764 18107 5534 1 13 . 1 1 27 27 THR CB C 44 70.733 70.733 70.175 0.558 18107 5535 1 13 . 1 1 27 27 THR H H 44 8.227 8.227 7.810 0.417 18107 5536 1 13 . 1 1 28 28 GLY N N 45 112.257 112.257 108.436 3.821 18107 5537 1 13 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.185 0.476 18107 5538 1 13 . 1 1 28 28 GLY H H 45 8.727 8.727 8.236 0.491 18107 5539 1 13 . 1 1 29 29 ASN N N 46 118.416 118.416 117.610 0.806 18107 5540 1 13 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.398 0.071 18107 5541 1 13 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.593 0.704 18107 5542 1 13 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.238 1.872 18107 5543 1 13 . 1 1 29 29 ASN H H 46 7.716 7.716 8.557 -0.841 18107 5544 1 13 . 1 1 30 30 LYS N N 47 126.481 126.481 118.843 7.638 18107 5545 1 13 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.169 -0.181 18107 5546 1 13 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.404 0.787 18107 5547 1 13 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.630 -0.117 18107 5548 1 13 . 1 1 30 30 LYS H H 47 8.770 8.770 8.326 0.444 18107 5549 1 13 . 1 1 31 31 ASP N N 48 121.710 121.710 114.827 6.883 18107 5550 1 13 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.762 -0.295 18107 5551 1 13 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.339 3.296 18107 5552 1 13 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.734 -1.290 18107 5553 1 13 . 1 1 31 31 ASP H H 48 8.229 8.229 8.163 0.066 18107 5554 1 13 . 1 1 32 32 GLU N N 49 121.695 121.695 121.480 0.215 18107 5555 1 13 . 1 1 32 32 GLU HA H 49 4.357 4.357 3.984 0.373 18107 5556 1 13 . 1 1 32 32 GLU H H 49 8.048 8.048 8.736 -0.688 18107 5557 1 13 . 1 1 33 33 LYS N N 50 120.099 120.099 121.012 -0.913 18107 5558 1 13 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.971 -0.320 18107 5559 1 13 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.244 0.593 18107 5560 1 13 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.123 0.844 18107 5561 1 13 . 1 1 33 33 LYS H H 50 7.975 7.975 7.679 0.296 18107 5562 1 13 . 1 1 34 34 ALA N N 51 118.238 118.238 120.289 -2.051 18107 5563 1 13 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.127 -0.138 18107 5564 1 13 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.917 0.476 18107 5565 1 13 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.047 0.165 18107 5566 1 13 . 1 1 34 34 ALA H H 51 7.614 7.614 8.378 -0.764 18107 5567 1 13 . 1 1 35 35 ARG N N 52 120.311 120.311 119.393 0.918 18107 5568 1 13 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.067 1.824 18107 5569 1 13 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.595 0.455 18107 5570 1 13 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.429 -0.018 18107 5571 1 13 . 1 1 35 35 ARG H H 52 7.883 7.883 7.816 0.067 18107 5572 1 13 . 1 1 36 36 LEU N N 53 119.541 119.541 118.920 0.621 18107 5573 1 13 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.221 -0.275 18107 5574 1 13 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.710 0.779 18107 5575 1 13 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.381 1.061 18107 5576 1 13 . 1 1 36 36 LEU H H 53 8.553 8.553 8.500 0.053 18107 5577 1 13 . 1 1 37 37 LEU N N 54 117.789 117.789 120.401 -2.612 18107 5578 1 13 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.818 0.247 18107 5579 1 13 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.081 0.560 18107 5580 1 13 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.479 -0.160 18107 5581 1 13 . 1 1 37 37 LEU H H 54 8.341 8.341 8.202 0.139 18107 5582 1 13 . 1 1 38 38 ARG N N 55 121.176 121.176 119.140 2.036 18107 5583 1 13 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.005 0.063 18107 5584 1 13 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.825 1.500 18107 5585 1 13 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.863 0.207 18107 5586 1 13 . 1 1 38 38 ARG H H 55 7.864 7.864 7.809 0.055 18107 5587 1 13 . 1 1 39 39 GLU N N 56 119.256 119.256 120.531 -1.275 18107 5588 1 13 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.072 -0.012 18107 5589 1 13 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.898 -0.004 18107 5590 1 13 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.517 0.384 18107 5591 1 13 . 1 1 39 39 GLU H H 56 8.390 8.390 7.735 0.655 18107 5592 1 13 . 1 1 40 40 LEU N N 57 120.312 120.312 116.968 3.344 18107 5593 1 13 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.209 -0.081 18107 5594 1 13 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.353 0.268 18107 5595 1 13 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.384 0.845 18107 5596 1 13 . 1 1 40 40 LEU H H 57 8.802 8.802 8.128 0.674 18107 5597 1 13 . 1 1 41 41 THR N N 58 117.791 117.791 117.219 0.572 18107 5598 1 13 . 1 1 41 41 THR HA H 58 4.341 4.341 3.880 0.461 18107 5599 1 13 . 1 1 41 41 THR CA C 58 67.542 67.542 66.776 0.766 18107 5600 1 13 . 1 1 41 41 THR CB C 58 69.157 69.157 68.415 0.742 18107 5601 1 13 . 1 1 41 41 THR H H 58 8.182 8.182 7.942 0.240 18107 5602 1 13 . 1 1 42 42 VAL N N 59 123.554 123.554 121.024 2.530 18107 5603 1 13 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.633 0.090 18107 5604 1 13 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.616 1.239 18107 5605 1 13 . 1 1 42 42 VAL H H 59 7.978 7.978 8.455 -0.477 18107 5606 1 13 . 1 1 43 43 SER N N 60 116.859 116.859 114.713 2.146 18107 5607 1 13 . 1 1 43 43 SER HA H 60 4.155 4.155 2.180 1.975 18107 5608 1 13 . 1 1 43 43 SER CA C 60 63.412 63.412 61.288 2.124 18107 5609 1 13 . 1 1 43 43 SER H H 60 7.715 7.715 7.627 0.088 18107 5610 1 13 . 1 1 44 44 GLU N N 61 124.072 124.072 120.895 3.177 18107 5611 1 13 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.889 -0.263 18107 5612 1 13 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.919 1.583 18107 5613 1 13 . 1 1 44 44 GLU CB C 61 29.794 29.794 28.923 0.871 18107 5614 1 13 . 1 1 44 44 GLU H H 61 8.517 8.517 8.114 0.403 18107 5615 1 13 . 1 1 45 45 ALA N N 62 120.467 120.467 122.028 -1.561 18107 5616 1 13 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.062 0.087 18107 5617 1 13 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.611 0.615 18107 5618 1 13 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.417 -0.572 18107 5619 1 13 . 1 1 45 45 ALA H H 62 7.853 7.853 7.420 0.433 18107 5620 1 13 . 1 1 46 46 PHE N N 63 119.936 119.936 116.783 3.153 18107 5621 1 13 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.265 0.000 18107 5622 1 13 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.689 2.847 18107 5623 1 13 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.653 1.539 18107 5624 1 13 . 1 1 46 46 PHE H H 63 7.946 7.946 7.025 0.921 18107 5625 1 13 . 1 1 47 47 ILE N N 64 122.630 122.630 121.339 1.291 18107 5626 1 13 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.657 -0.037 18107 5627 1 13 . 1 1 47 47 ILE CA C 64 66.358 66.358 63.614 2.744 18107 5628 1 13 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.958 1.423 18107 5629 1 13 . 1 1 47 47 ILE H H 64 8.595 8.595 8.010 0.585 18107 5630 1 13 . 1 1 48 48 GLU N N 65 120.257 120.257 119.607 0.650 18107 5631 1 13 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.904 0.685 18107 5632 1 13 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.628 -0.272 18107 5633 1 13 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.474 0.128 18107 5634 1 13 . 1 1 48 48 GLU H H 65 9.078 9.078 8.012 1.066 18107 5635 1 13 . 1 1 49 49 GLY N N 66 108.368 108.368 106.957 1.411 18107 5636 1 13 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.733 0.420 18107 5637 1 13 . 1 1 49 49 GLY H H 66 8.379 8.379 8.286 0.093 18107 5638 1 13 . 1 1 50 50 SER N N 67 119.358 119.358 117.945 1.413 18107 5639 1 13 . 1 1 50 50 SER HA H 67 3.988 3.988 4.003 -0.015 18107 5640 1 13 . 1 1 50 50 SER CA C 67 62.501 62.501 61.148 1.353 18107 5641 1 13 . 1 1 50 50 SER CB C 67 63.441 63.441 63.224 0.217 18107 5642 1 13 . 1 1 50 50 SER H H 67 7.694 7.694 8.110 -0.416 18107 5643 1 13 . 1 1 51 51 ARG N N 68 121.212 121.212 120.983 0.229 18107 5644 1 13 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.332 -0.424 18107 5645 1 13 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.813 2.228 18107 5646 1 13 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.670 1.087 18107 5647 1 13 . 1 1 51 51 ARG H H 68 8.684 8.684 8.015 0.669 18107 5648 1 13 . 1 1 52 52 GLY N N 69 124.556 124.556 107.095 17.461 18107 5649 1 13 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.673 0.590 18107 5650 1 13 . 1 1 52 52 GLY H H 69 8.068 8.068 8.279 -0.211 18107 5651 1 13 . 1 1 53 53 TYR N N 70 123.123 123.123 123.387 -0.264 18107 5652 1 13 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.132 -0.063 18107 5653 1 13 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.439 -0.619 18107 5654 1 13 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.518 -0.771 18107 5655 1 13 . 1 1 53 53 TYR H H 70 7.337 7.337 7.627 -0.290 18107 5656 1 13 . 1 1 54 54 PHE N N 71 117.809 117.809 118.405 -0.596 18107 5657 1 13 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.017 -0.350 18107 5658 1 13 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.398 0.091 18107 5659 1 13 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.934 0.815 18107 5660 1 13 . 1 1 54 54 PHE H H 71 7.965 7.965 7.621 0.344 18107 5661 1 13 . 1 1 55 55 GLN N N 72 115.519 115.519 118.780 -3.261 18107 5662 1 13 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.083 -0.225 18107 5663 1 13 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.133 0.475 18107 5664 1 13 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.750 0.246 18107 5665 1 13 . 1 1 55 55 GLN H H 72 8.522 8.522 7.891 0.631 18107 5666 1 13 . 1 1 56 56 ARG N N 73 118.947 118.947 118.105 0.842 18107 5667 1 13 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.077 -0.205 18107 5668 1 13 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.853 1.068 18107 5669 1 13 . 1 1 56 56 ARG CB C 73 30.086 30.086 30.095 -0.009 18107 5670 1 13 . 1 1 56 56 ARG H H 73 7.677 7.677 7.718 -0.041 18107 5671 1 13 . 1 1 57 57 GLU N N 74 121.204 121.204 121.798 -0.594 18107 5672 1 13 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.942 -0.260 18107 5673 1 13 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.064 -0.130 18107 5674 1 13 . 1 1 57 57 GLU CB C 74 29.693 29.693 29.053 0.640 18107 5675 1 13 . 1 1 57 57 GLU H H 74 7.897 7.897 8.245 -0.348 18107 5676 1 13 . 1 1 58 58 LEU N N 75 115.348 115.348 118.603 -3.255 18107 5677 1 13 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.183 -0.123 18107 5678 1 13 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.692 -0.798 18107 5679 1 13 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.232 0.098 18107 5680 1 13 . 1 1 58 58 LEU H H 75 7.746 7.746 7.734 0.012 18107 5681 1 13 . 1 1 59 59 LYS N N 76 117.429 117.429 115.673 1.756 18107 5682 1 13 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.278 -0.078 18107 5683 1 13 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.729 -0.121 18107 5684 1 13 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.283 0.600 18107 5685 1 13 . 1 1 59 59 LYS H H 76 7.233 7.233 7.715 -0.482 18107 5686 1 13 . 1 1 60 60 ARG N N 77 120.555 120.555 119.183 1.372 18107 5687 1 13 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.066 0.060 18107 5688 1 13 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.575 -0.876 18107 5689 1 13 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.444 1.354 18107 5690 1 13 . 1 1 60 60 ARG H H 77 7.701 7.701 7.867 -0.166 18107 5691 1 13 . 1 1 61 61 THR N N 78 111.768 111.768 107.764 4.004 18107 5692 1 13 . 1 1 61 61 THR HA H 78 4.414 4.414 4.082 0.332 18107 5693 1 13 . 1 1 61 61 THR CA C 78 62.557 62.557 64.325 -1.768 18107 5694 1 13 . 1 1 61 61 THR CB C 78 69.221 69.221 67.525 1.696 18107 5695 1 13 . 1 1 61 61 THR H H 78 8.638 8.638 8.146 0.492 18107 5696 1 13 . 1 1 62 62 ASP N N 79 120.616 120.616 120.248 0.368 18107 5697 1 13 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.845 -0.213 18107 5698 1 13 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.301 -1.339 18107 5699 1 13 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.251 -1.005 18107 5700 1 13 . 1 1 62 62 ASP H H 79 8.465 8.465 8.507 -0.042 18107 5701 1 13 . 1 1 63 63 LEU N N 80 120.063 120.063 115.764 4.299 18107 5702 1 13 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.887 -0.642 18107 5703 1 13 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.748 1.464 18107 5704 1 13 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.375 -1.580 18107 5705 1 13 . 1 1 63 63 LEU H H 80 7.157 7.157 7.324 -0.167 18107 5706 1 13 . 1 1 64 64 ASP N N 81 125.396 125.396 121.950 3.446 18107 5707 1 13 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.964 -0.395 18107 5708 1 13 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.379 0.598 18107 5709 1 13 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.170 -0.370 18107 5710 1 13 . 1 1 64 64 ASP H H 81 8.926 8.926 8.193 0.733 18107 5711 1 13 . 1 1 65 65 LEU N N 82 122.508 122.508 119.579 2.929 18107 5712 1 13 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.277 -0.439 18107 5713 1 13 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.960 0.861 18107 5714 1 13 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.802 0.393 18107 5715 1 13 . 1 1 65 65 LEU H H 82 8.281 8.281 8.248 0.033 18107 5716 1 13 . 1 1 66 66 LEU N N 83 119.413 119.413 120.364 -0.951 18107 5717 1 13 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.993 0.079 18107 5718 1 13 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.239 -0.211 18107 5719 1 13 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.159 1.192 18107 5720 1 13 . 1 1 66 66 LEU H H 83 8.149 8.149 8.090 0.059 18107 5721 1 13 . 1 1 67 67 GLU N N 84 119.941 119.941 118.473 1.468 18107 5722 1 13 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.769 0.077 18107 5723 1 13 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.584 -1.061 18107 5724 1 13 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.191 1.022 18107 5725 1 13 . 1 1 67 67 GLU H H 84 7.725 7.725 8.472 -0.747 18107 5726 1 13 . 1 1 68 68 LYS N N 85 119.400 119.400 120.031 -0.631 18107 5727 1 13 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.808 -0.007 18107 5728 1 13 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.220 1.600 18107 5729 1 13 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.388 0.527 18107 5730 1 13 . 1 1 68 68 LYS H H 85 8.117 8.117 8.199 -0.082 18107 5731 1 13 . 1 1 69 69 PHE N N 86 117.969 117.969 119.407 -1.438 18107 5732 1 13 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.156 0.133 18107 5733 1 13 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.299 -0.430 18107 5734 1 13 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.832 -0.077 18107 5735 1 13 . 1 1 69 69 PHE H H 86 7.975 7.975 8.192 -0.217 18107 5736 1 13 . 1 1 70 70 ASN N N 87 118.904 118.904 118.137 0.767 18107 5737 1 13 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.426 -0.065 18107 5738 1 13 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.880 -0.612 18107 5739 1 13 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.251 -0.153 18107 5740 1 13 . 1 1 70 70 ASN H H 87 8.259 8.259 7.408 0.851 18107 5741 1 13 . 1 1 71 71 PHE N N 88 121.068 121.068 118.495 2.573 18107 5742 1 13 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.141 1.125 18107 5743 1 13 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.303 1.484 18107 5744 1 13 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.121 0.909 18107 5745 1 13 . 1 1 71 71 PHE H H 88 8.618 8.618 7.456 1.162 18107 5746 1 13 . 1 1 72 72 GLU N N 89 120.500 120.500 119.447 1.053 18107 5747 1 13 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.929 -0.076 18107 5748 1 13 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.389 1.108 18107 5749 1 13 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.120 0.391 18107 5750 1 13 . 1 1 72 72 GLU H H 89 8.709 8.709 8.626 0.083 18107 5751 1 13 . 1 1 73 73 ALA N N 90 123.117 123.117 121.931 1.186 18107 5752 1 13 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.948 0.090 18107 5753 1 13 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.745 0.256 18107 5754 1 13 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.014 -0.066 18107 5755 1 13 . 1 1 73 73 ALA H H 90 8.158 8.158 7.855 0.303 18107 5756 1 13 . 1 1 74 74 ALA N N 91 122.919 122.919 121.154 1.765 18107 5757 1 13 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.117 -0.166 18107 5758 1 13 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.533 0.746 18107 5759 1 13 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.353 -0.687 18107 5760 1 13 . 1 1 74 74 ALA H H 91 7.841 7.841 8.061 -0.220 18107 5761 1 13 . 1 1 75 75 LEU N N 92 119.956 119.956 119.681 0.275 18107 5762 1 13 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.183 -0.136 18107 5763 1 13 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.181 0.278 18107 5764 1 13 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.772 0.387 18107 5765 1 13 . 1 1 75 75 LEU H H 92 8.091 8.091 8.404 -0.313 18107 5766 1 13 . 1 1 76 76 ALA N N 93 120.763 120.763 120.968 -0.205 18107 5767 1 13 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.091 0.039 18107 5768 1 13 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.260 0.144 18107 5769 1 13 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.119 -0.249 18107 5770 1 13 . 1 1 76 76 ALA H H 93 7.774 7.774 7.803 -0.029 18107 5771 1 13 . 1 1 77 77 THR N N 94 117.510 117.510 115.754 1.756 18107 5772 1 13 . 1 1 77 77 THR HA H 94 4.234 4.234 4.001 0.233 18107 5773 1 13 . 1 1 77 77 THR CA C 94 67.364 67.364 67.218 0.146 18107 5774 1 13 . 1 1 77 77 THR CB C 94 68.779 68.779 68.900 -0.121 18107 5775 1 13 . 1 1 77 77 THR H H 94 8.188 8.188 7.792 0.396 18107 5776 1 13 . 1 1 78 78 GLY N N 95 110.009 110.009 109.672 0.337 18107 5777 1 13 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.834 1.316 18107 5778 1 13 . 1 1 78 78 GLY H H 95 8.547 8.547 8.775 -0.228 18107 5779 1 13 . 1 1 79 79 ASP N N 96 121.634 121.634 123.170 -1.536 18107 5780 1 13 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.409 -0.141 18107 5781 1 13 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.759 0.177 18107 5782 1 13 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.548 0.092 18107 5783 1 13 . 1 1 79 79 ASP H H 96 8.548 8.548 8.078 0.470 18107 5784 1 13 . 1 1 80 80 LEU N N 97 122.599 122.599 119.266 3.333 18107 5785 1 13 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.045 -0.037 18107 5786 1 13 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.855 0.588 18107 5787 1 13 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.059 -0.130 18107 5788 1 13 . 1 1 80 80 LEU H H 97 7.618 7.618 7.781 -0.163 18107 5789 1 13 . 1 1 81 81 LEU N N 98 119.913 119.913 117.723 2.190 18107 5790 1 13 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.116 -0.085 18107 5791 1 13 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.077 -0.269 18107 5792 1 13 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.276 1.085 18107 5793 1 13 . 1 1 81 81 LEU H H 98 8.224 8.224 7.802 0.422 18107 5794 1 13 . 1 1 82 82 LEU N N 99 118.616 118.616 121.059 -2.443 18107 5795 1 13 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.841 0.134 18107 5796 1 13 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.001 0.068 18107 5797 1 13 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.673 0.492 18107 5798 1 13 . 1 1 82 82 LEU H H 99 8.359 8.359 8.576 -0.217 18107 5799 1 13 . 1 1 83 83 LYS N N 100 118.988 118.988 118.994 -0.006 18107 5800 1 13 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.948 -0.064 18107 5801 1 13 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.051 0.216 18107 5802 1 13 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.121 0.050 18107 5803 1 13 . 1 1 83 83 LYS H H 100 7.566 7.566 7.949 -0.383 18107 5804 1 13 . 1 1 84 84 ASP N N 101 121.591 121.591 120.595 0.996 18107 5805 1 13 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.480 -0.083 18107 5806 1 13 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.771 0.925 18107 5807 1 13 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.829 -0.424 18107 5808 1 13 . 1 1 84 84 ASP H H 101 7.743 7.743 7.875 -0.132 18107 5809 1 13 . 1 1 85 85 LEU N N 102 123.215 123.215 120.992 2.223 18107 5810 1 13 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.831 0.019 18107 5811 1 13 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.637 1.204 18107 5812 1 13 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.896 0.676 18107 5813 1 13 . 1 1 85 85 LEU H H 102 8.760 8.760 8.362 0.398 18107 5814 1 13 . 1 1 86 86 LYS N N 103 119.648 119.648 119.375 0.273 18107 5815 1 13 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.986 0.082 18107 5816 1 13 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.417 -0.625 18107 5817 1 13 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.388 -1.256 18107 5818 1 13 . 1 1 86 86 LYS H H 103 8.883 8.883 7.791 1.092 18107 5819 1 13 . 1 1 87 87 ALA N N 104 122.844 122.844 121.645 1.199 18107 5820 1 13 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.153 0.007 18107 5821 1 13 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.814 0.486 18107 5822 1 13 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.291 -0.271 18107 5823 1 13 . 1 1 87 87 ALA H H 104 7.721 7.721 7.641 0.080 18107 5824 1 13 . 1 1 88 88 LEU N N 105 120.380 120.380 118.680 1.700 18107 5825 1 13 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.014 -0.022 18107 5826 1 13 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.044 0.142 18107 5827 1 13 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.170 1.633 18107 5828 1 13 . 1 1 88 88 LEU H H 105 7.762 7.762 8.339 -0.577 18107 5829 1 13 . 1 1 89 89 GLN N N 106 118.781 118.781 119.382 -0.601 18107 5830 1 13 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.931 -0.346 18107 5831 1 13 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.677 0.300 18107 5832 1 13 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.352 1.275 18107 5833 1 13 . 1 1 89 89 GLN H H 106 8.658 8.658 8.331 0.327 18107 5834 1 13 . 1 1 90 90 LYS N N 107 118.977 118.977 120.274 -1.297 18107 5835 1 13 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.075 -0.127 18107 5836 1 13 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.649 0.846 18107 5837 1 13 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.050 0.373 18107 5838 1 13 . 1 1 90 90 LYS H H 107 7.786 7.786 7.711 0.075 18107 5839 1 13 . 1 1 91 91 ARG N N 108 117.470 117.470 120.404 -2.934 18107 5840 1 13 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.064 -0.061 18107 5841 1 13 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.792 -0.210 18107 5842 1 13 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.294 1.334 18107 5843 1 13 . 1 1 91 91 ARG H H 108 7.469 7.469 7.639 -0.170 18107 5844 1 13 . 1 1 92 92 VAL N N 109 117.865 117.865 118.745 -0.880 18107 5845 1 13 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.803 -0.321 18107 5846 1 13 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.522 1.089 18107 5847 1 13 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.446 0.765 18107 5848 1 13 . 1 1 92 92 VAL H H 109 8.084 8.084 8.318 -0.234 18107 5849 1 13 . 1 1 93 93 GLN N N 110 119.617 119.617 117.469 2.148 18107 5850 1 13 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.088 -0.212 18107 5851 1 13 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.355 0.879 18107 5852 1 13 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.988 0.037 18107 5853 1 13 . 1 1 93 93 GLN H H 110 8.512 8.512 8.223 0.289 18107 5854 1 13 . 1 1 94 94 ASP N N 111 117.490 117.490 118.357 -0.867 18107 5855 1 13 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.590 -0.099 18107 5856 1 13 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.880 -0.599 18107 5857 1 13 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.614 -0.779 18107 5858 1 13 . 1 1 94 94 ASP H H 111 8.194 8.194 7.701 0.493 18107 5859 1 13 . 1 1 95 95 SER N N 112 116.625 116.625 113.300 3.325 18107 5860 1 13 . 1 1 95 95 SER HA H 112 4.288 4.288 4.008 0.280 18107 5861 1 13 . 1 1 95 95 SER CA C 112 59.770 59.770 60.580 -0.810 18107 5862 1 13 . 1 1 95 95 SER CB C 112 63.990 63.990 62.713 1.277 18107 5863 1 13 . 1 1 95 95 SER H H 112 7.479 7.479 8.561 -1.082 18107 5864 1 14 . 1 1 2 2 THR HA H 19 4.222 4.222 4.033 0.189 18107 5865 1 14 . 1 1 2 2 THR CA C 19 63.013 63.013 65.373 -2.360 18107 5866 1 14 . 1 1 2 2 THR CB C 19 69.504 69.504 68.261 1.243 18107 5867 1 14 . 1 1 3 3 ALA N N 20 125.065 125.065 124.047 1.018 18107 5868 1 14 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.695 0.455 18107 5869 1 14 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.817 0.139 18107 5870 1 14 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.690 1.307 18107 5871 1 14 . 1 1 3 3 ALA H H 20 8.404 8.404 8.331 0.073 18107 5872 1 14 . 1 1 4 4 THR N N 21 109.840 109.840 112.126 -2.286 18107 5873 1 14 . 1 1 4 4 THR HA H 21 4.235 4.235 3.944 0.291 18107 5874 1 14 . 1 1 4 4 THR CA C 21 64.668 64.668 64.754 -0.087 18107 5875 1 14 . 1 1 4 4 THR CB C 21 68.923 68.923 67.918 1.005 18107 5876 1 14 . 1 1 4 4 THR H H 21 7.910 7.910 8.045 -0.135 18107 5877 1 14 . 1 1 5 5 GLN N N 22 122.037 122.037 120.609 1.428 18107 5878 1 14 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.094 -0.043 18107 5879 1 14 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.686 -0.522 18107 5880 1 14 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.001 0.556 18107 5881 1 14 . 1 1 5 5 GLN H H 22 7.953 7.953 7.632 0.321 18107 5882 1 14 . 1 1 6 6 ARG N N 23 118.944 118.944 119.516 -0.572 18107 5883 1 14 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.139 -0.033 18107 5884 1 14 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.807 -0.715 18107 5885 1 14 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.368 -0.221 18107 5886 1 14 . 1 1 6 6 ARG H H 23 7.922 7.922 7.610 0.312 18107 5887 1 14 . 1 1 7 7 PHE N N 24 116.543 116.543 114.825 1.718 18107 5888 1 14 . 1 1 7 7 PHE H H 24 8.276 8.276 7.630 0.646 18107 5889 1 14 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.472 0.023 18107 5890 1 14 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.802 1.218 18107 5891 1 14 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.880 -0.827 18107 5892 1 14 . 1 1 9 9 GLU N N 26 118.298 118.298 119.997 -1.699 18107 5893 1 14 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.066 -0.076 18107 5894 1 14 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.710 -0.332 18107 5895 1 14 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.122 0.190 18107 5896 1 14 . 1 1 9 9 GLU H H 26 8.148 8.148 8.536 -0.388 18107 5897 1 14 . 1 1 10 10 ILE N N 27 121.761 121.761 116.148 5.613 18107 5898 1 14 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.924 0.040 18107 5899 1 14 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.127 0.336 18107 5900 1 14 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.523 0.727 18107 5901 1 14 . 1 1 10 10 ILE H H 27 8.165 8.165 8.026 0.139 18107 5902 1 14 . 1 1 11 11 GLU N N 28 122.042 122.042 121.027 1.015 18107 5903 1 14 . 1 1 11 11 GLU HA H 28 3.837 3.837 4.111 -0.274 18107 5904 1 14 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.801 0.827 18107 5905 1 14 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.396 0.610 18107 5906 1 14 . 1 1 11 11 GLU H H 28 8.541 8.541 7.875 0.666 18107 5907 1 14 . 1 1 12 12 LYS N N 29 117.967 117.967 119.164 -1.197 18107 5908 1 14 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.075 -0.133 18107 5909 1 14 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.239 0.502 18107 5910 1 14 . 1 1 12 12 LYS CB C 29 32.452 32.452 31.959 0.493 18107 5911 1 14 . 1 1 12 12 LYS H H 29 7.517 7.517 8.198 -0.681 18107 5912 1 14 . 1 1 13 13 PHE N N 30 122.144 122.144 120.288 1.856 18107 5913 1 14 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.418 0.011 18107 5914 1 14 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.604 0.183 18107 5915 1 14 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.803 0.408 18107 5916 1 14 . 1 1 13 13 PHE H H 30 8.066 8.066 7.988 0.078 18107 5917 1 14 . 1 1 14 14 LEU N N 31 119.404 119.404 121.062 -1.658 18107 5918 1 14 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.975 -0.241 18107 5919 1 14 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.565 -0.801 18107 5920 1 14 . 1 1 14 14 LEU CB C 31 41.436 41.436 42.006 -0.570 18107 5921 1 14 . 1 1 14 14 LEU H H 31 8.739 8.739 8.487 0.252 18107 5922 1 14 . 1 1 15 15 LEU N N 32 121.073 121.073 117.279 3.794 18107 5923 1 14 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.151 -0.191 18107 5924 1 14 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.332 -0.000 18107 5925 1 14 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.084 0.878 18107 5926 1 14 . 1 1 15 15 LEU H H 32 7.736 7.736 7.723 0.013 18107 5927 1 14 . 1 1 16 16 HIS N N 33 118.629 118.629 118.963 -0.334 18107 5928 1 14 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.344 0.002 18107 5929 1 14 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.288 1.357 18107 5930 1 14 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.893 0.408 18107 5931 1 14 . 1 1 16 16 HIS H H 33 7.681 7.681 7.846 -0.165 18107 5932 1 14 . 1 1 17 17 ILE N N 34 118.602 118.602 120.220 -1.618 18107 5933 1 14 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.640 0.165 18107 5934 1 14 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.933 -1.426 18107 5935 1 14 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.935 -0.490 18107 5936 1 14 . 1 1 17 17 ILE H H 34 8.502 8.502 8.643 -0.141 18107 5937 1 14 . 1 1 18 18 THR N N 35 117.776 117.776 115.786 1.990 18107 5938 1 14 . 1 1 18 18 THR HA H 35 4.116 4.116 3.893 0.223 18107 5939 1 14 . 1 1 18 18 THR CA C 35 68.694 68.694 67.789 0.905 18107 5940 1 14 . 1 1 18 18 THR CB C 35 68.694 68.694 68.479 0.215 18107 5941 1 14 . 1 1 18 18 THR H H 35 7.726 7.726 7.866 -0.140 18107 5942 1 14 . 1 1 19 19 HIS N N 36 118.130 118.130 120.449 -2.319 18107 5943 1 14 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.254 0.147 18107 5944 1 14 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.996 -1.210 18107 5945 1 14 . 1 1 19 19 HIS CB C 36 29.070 29.070 30.070 -1.000 18107 5946 1 14 . 1 1 19 19 HIS H H 36 7.177 7.177 7.898 -0.721 18107 5947 1 14 . 1 1 20 20 GLU N N 37 119.301 119.301 118.351 0.950 18107 5948 1 14 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.168 -0.118 18107 5949 1 14 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.438 0.118 18107 5950 1 14 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.568 0.488 18107 5951 1 14 . 1 1 20 20 GLU H H 37 7.335 7.335 7.942 -0.607 18107 5952 1 14 . 1 1 21 21 VAL N N 38 122.744 122.744 119.590 3.154 18107 5953 1 14 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.618 -0.196 18107 5954 1 14 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.656 0.393 18107 5955 1 14 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.744 -0.371 18107 5956 1 14 . 1 1 21 21 VAL H H 38 8.385 8.385 7.676 0.709 18107 5957 1 14 . 1 1 22 22 ASP N N 39 120.471 120.471 119.997 0.474 18107 5958 1 14 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.323 -0.176 18107 5959 1 14 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.893 -0.167 18107 5960 1 14 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.666 -0.279 18107 5961 1 14 . 1 1 22 22 ASP H H 39 8.054 8.054 7.750 0.304 18107 5962 1 14 . 1 1 23 23 ASP N N 40 118.541 118.541 120.031 -1.490 18107 5963 1 14 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.356 0.064 18107 5964 1 14 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.704 -0.217 18107 5965 1 14 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.989 0.185 18107 5966 1 14 . 1 1 23 23 ASP H H 40 7.587 7.587 7.830 -0.243 18107 5967 1 14 . 1 1 24 24 LEU N N 41 123.241 123.241 116.511 6.730 18107 5968 1 14 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.219 -0.051 18107 5969 1 14 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.784 -0.077 18107 5970 1 14 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.117 0.792 18107 5971 1 14 . 1 1 24 24 LEU H H 41 8.032 8.032 8.195 -0.163 18107 5972 1 14 . 1 1 25 25 GLU N N 42 117.508 117.508 119.920 -2.412 18107 5973 1 14 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.040 -0.120 18107 5974 1 14 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.155 -0.073 18107 5975 1 14 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.655 0.208 18107 5976 1 14 . 1 1 25 25 GLU H H 42 8.010 8.010 8.264 -0.254 18107 5977 1 14 . 1 1 26 26 LYS N N 43 117.032 117.032 115.559 1.473 18107 5978 1 14 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.351 -0.108 18107 5979 1 14 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.575 0.675 18107 5980 1 14 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.357 1.150 18107 5981 1 14 . 1 1 26 26 LYS H H 43 7.596 7.596 7.700 -0.104 18107 5982 1 14 . 1 1 27 27 THR N N 44 110.288 110.288 111.932 -1.644 18107 5983 1 14 . 1 1 27 27 THR HA H 44 4.271 4.271 4.419 -0.148 18107 5984 1 14 . 1 1 27 27 THR CA C 44 62.820 62.820 63.224 -0.404 18107 5985 1 14 . 1 1 27 27 THR CB C 44 70.733 70.733 69.939 0.794 18107 5986 1 14 . 1 1 27 27 THR H H 44 8.227 8.227 7.267 0.960 18107 5987 1 14 . 1 1 28 28 GLY N N 45 112.257 112.257 107.810 4.447 18107 5988 1 14 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.252 0.409 18107 5989 1 14 . 1 1 28 28 GLY H H 45 8.727 8.727 8.296 0.431 18107 5990 1 14 . 1 1 29 29 ASN N N 46 118.416 118.416 117.268 1.148 18107 5991 1 14 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.259 0.210 18107 5992 1 14 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.843 0.454 18107 5993 1 14 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.621 2.489 18107 5994 1 14 . 1 1 29 29 ASN H H 46 7.716 7.716 8.704 -0.988 18107 5995 1 14 . 1 1 30 30 LYS N N 47 126.481 126.481 119.188 7.293 18107 5996 1 14 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.032 -0.044 18107 5997 1 14 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.575 0.616 18107 5998 1 14 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.603 -0.090 18107 5999 1 14 . 1 1 30 30 LYS H H 47 8.770 8.770 8.523 0.247 18107 6000 1 14 . 1 1 31 31 ASP N N 48 121.710 121.710 114.958 6.752 18107 6001 1 14 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.796 -0.329 18107 6002 1 14 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.135 3.500 18107 6003 1 14 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.627 -1.183 18107 6004 1 14 . 1 1 31 31 ASP H H 48 8.229 8.229 8.107 0.122 18107 6005 1 14 . 1 1 32 32 GLU N N 49 121.695 121.695 120.161 1.534 18107 6006 1 14 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.057 0.300 18107 6007 1 14 . 1 1 32 32 GLU H H 49 8.048 8.048 8.630 -0.582 18107 6008 1 14 . 1 1 33 33 LYS N N 50 120.099 120.099 119.897 0.202 18107 6009 1 14 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.925 -0.274 18107 6010 1 14 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.489 0.348 18107 6011 1 14 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.736 1.230 18107 6012 1 14 . 1 1 33 33 LYS H H 50 7.975 7.975 8.516 -0.541 18107 6013 1 14 . 1 1 34 34 ALA N N 51 118.238 118.238 119.914 -1.676 18107 6014 1 14 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.005 -0.016 18107 6015 1 14 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.990 0.403 18107 6016 1 14 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.331 -0.119 18107 6017 1 14 . 1 1 34 34 ALA H H 51 7.614 7.614 8.355 -0.741 18107 6018 1 14 . 1 1 35 35 ARG N N 52 120.311 120.311 119.573 0.738 18107 6019 1 14 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.126 1.765 18107 6020 1 14 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.300 1.750 18107 6021 1 14 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.027 0.384 18107 6022 1 14 . 1 1 35 35 ARG H H 52 7.883 7.883 7.740 0.143 18107 6023 1 14 . 1 1 36 36 LEU N N 53 119.541 119.541 119.515 0.026 18107 6024 1 14 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.183 -0.237 18107 6025 1 14 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.263 0.226 18107 6026 1 14 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.199 1.243 18107 6027 1 14 . 1 1 36 36 LEU H H 53 8.553 8.553 8.625 -0.072 18107 6028 1 14 . 1 1 37 37 LEU N N 54 117.789 117.789 120.334 -2.545 18107 6029 1 14 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.852 0.213 18107 6030 1 14 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.183 0.459 18107 6031 1 14 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.352 -0.033 18107 6032 1 14 . 1 1 37 37 LEU H H 54 8.341 8.341 8.318 0.023 18107 6033 1 14 . 1 1 38 38 ARG N N 55 121.176 121.176 117.989 3.187 18107 6034 1 14 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.061 0.007 18107 6035 1 14 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.114 1.211 18107 6036 1 14 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.941 0.129 18107 6037 1 14 . 1 1 38 38 ARG H H 55 7.864 7.864 7.773 0.091 18107 6038 1 14 . 1 1 39 39 GLU N N 56 119.256 119.256 120.177 -0.921 18107 6039 1 14 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.117 -0.057 18107 6040 1 14 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.567 0.327 18107 6041 1 14 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.315 0.586 18107 6042 1 14 . 1 1 39 39 GLU H H 56 8.390 8.390 7.755 0.635 18107 6043 1 14 . 1 1 40 40 LEU N N 57 120.312 120.312 118.296 2.016 18107 6044 1 14 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.211 -0.083 18107 6045 1 14 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.230 0.391 18107 6046 1 14 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.344 0.885 18107 6047 1 14 . 1 1 40 40 LEU H H 57 8.802 8.802 8.230 0.572 18107 6048 1 14 . 1 1 41 41 THR N N 58 117.791 117.791 117.429 0.362 18107 6049 1 14 . 1 1 41 41 THR HA H 58 4.341 4.341 3.808 0.533 18107 6050 1 14 . 1 1 41 41 THR CA C 58 67.542 67.542 67.130 0.412 18107 6051 1 14 . 1 1 41 41 THR CB C 58 69.157 69.157 68.642 0.515 18107 6052 1 14 . 1 1 41 41 THR H H 58 8.182 8.182 7.863 0.319 18107 6053 1 14 . 1 1 42 42 VAL N N 59 123.554 123.554 121.207 2.347 18107 6054 1 14 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.560 0.163 18107 6055 1 14 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.761 0.094 18107 6056 1 14 . 1 1 42 42 VAL H H 59 7.978 7.978 8.440 -0.462 18107 6057 1 14 . 1 1 43 43 SER N N 60 116.859 116.859 114.457 2.402 18107 6058 1 14 . 1 1 43 43 SER HA H 60 4.155 4.155 1.064 3.091 18107 6059 1 14 . 1 1 43 43 SER CA C 60 63.412 63.412 61.131 2.281 18107 6060 1 14 . 1 1 43 43 SER H H 60 7.715 7.715 7.530 0.185 18107 6061 1 14 . 1 1 44 44 GLU N N 61 124.072 124.072 120.436 3.636 18107 6062 1 14 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.784 -0.158 18107 6063 1 14 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.081 1.421 18107 6064 1 14 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.488 0.306 18107 6065 1 14 . 1 1 44 44 GLU H H 61 8.517 8.517 8.079 0.438 18107 6066 1 14 . 1 1 45 45 ALA N N 62 120.467 120.467 121.778 -1.311 18107 6067 1 14 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.083 0.066 18107 6068 1 14 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.990 0.236 18107 6069 1 14 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.149 -0.304 18107 6070 1 14 . 1 1 45 45 ALA H H 62 7.853 7.853 7.633 0.220 18107 6071 1 14 . 1 1 46 46 PHE N N 63 119.936 119.936 117.872 2.064 18107 6072 1 14 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.152 0.113 18107 6073 1 14 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.843 2.693 18107 6074 1 14 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.351 1.841 18107 6075 1 14 . 1 1 46 46 PHE H H 63 7.946 7.946 7.223 0.723 18107 6076 1 14 . 1 1 47 47 ILE N N 64 122.630 122.630 119.540 3.090 18107 6077 1 14 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.194 0.426 18107 6078 1 14 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.043 2.315 18107 6079 1 14 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.475 1.905 18107 6080 1 14 . 1 1 47 47 ILE H H 64 8.595 8.595 7.808 0.787 18107 6081 1 14 . 1 1 48 48 GLU N N 65 120.257 120.257 119.821 0.436 18107 6082 1 14 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.954 0.635 18107 6083 1 14 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.890 -0.534 18107 6084 1 14 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.342 0.259 18107 6085 1 14 . 1 1 48 48 GLU H H 65 9.078 9.078 7.897 1.181 18107 6086 1 14 . 1 1 49 49 GLY N N 66 108.368 108.368 106.707 1.661 18107 6087 1 14 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.772 0.381 18107 6088 1 14 . 1 1 49 49 GLY H H 66 8.379 8.379 8.411 -0.032 18107 6089 1 14 . 1 1 50 50 SER N N 67 119.358 119.358 117.375 1.983 18107 6090 1 14 . 1 1 50 50 SER HA H 67 3.988 3.988 4.100 -0.112 18107 6091 1 14 . 1 1 50 50 SER CA C 67 62.501 62.501 60.965 1.536 18107 6092 1 14 . 1 1 50 50 SER CB C 67 63.441 63.441 63.184 0.257 18107 6093 1 14 . 1 1 50 50 SER H H 67 7.694 7.694 8.232 -0.538 18107 6094 1 14 . 1 1 51 51 ARG N N 68 121.212 121.212 120.486 0.726 18107 6095 1 14 . 1 1 51 51 ARG HA H 68 3.908 3.908 3.822 0.086 18107 6096 1 14 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.446 1.595 18107 6097 1 14 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.039 0.718 18107 6098 1 14 . 1 1 51 51 ARG H H 68 8.684 8.684 8.023 0.661 18107 6099 1 14 . 1 1 52 52 GLY N N 69 124.556 124.556 106.713 17.843 18107 6100 1 14 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.658 0.605 18107 6101 1 14 . 1 1 52 52 GLY H H 69 8.068 8.068 7.904 0.164 18107 6102 1 14 . 1 1 53 53 TYR N N 70 123.123 123.123 123.835 -0.712 18107 6103 1 14 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.063 0.006 18107 6104 1 14 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.249 -0.430 18107 6105 1 14 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.395 -0.647 18107 6106 1 14 . 1 1 53 53 TYR H H 70 7.337 7.337 7.469 -0.132 18107 6107 1 14 . 1 1 54 54 PHE N N 71 117.809 117.809 117.349 0.460 18107 6108 1 14 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.907 -0.240 18107 6109 1 14 . 1 1 54 54 PHE CA C 71 60.489 60.489 59.795 0.694 18107 6110 1 14 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.383 1.366 18107 6111 1 14 . 1 1 54 54 PHE H H 71 7.965 7.965 7.366 0.599 18107 6112 1 14 . 1 1 55 55 GLN N N 72 115.519 115.519 117.877 -2.358 18107 6113 1 14 . 1 1 55 55 GLN HA H 72 3.858 3.858 3.838 0.020 18107 6114 1 14 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.969 0.638 18107 6115 1 14 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.235 0.761 18107 6116 1 14 . 1 1 55 55 GLN H H 72 8.522 8.522 7.883 0.639 18107 6117 1 14 . 1 1 56 56 ARG N N 73 118.947 118.947 118.748 0.199 18107 6118 1 14 . 1 1 56 56 ARG HA H 73 3.872 3.872 3.978 -0.106 18107 6119 1 14 . 1 1 56 56 ARG CA C 73 59.921 59.921 59.091 0.830 18107 6120 1 14 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.905 0.181 18107 6121 1 14 . 1 1 56 56 ARG H H 73 7.677 7.677 7.465 0.212 18107 6122 1 14 . 1 1 57 57 GLU N N 74 121.204 121.204 120.063 1.141 18107 6123 1 14 . 1 1 57 57 GLU HA H 74 3.682 3.682 4.036 -0.354 18107 6124 1 14 . 1 1 57 57 GLU CA C 74 58.934 58.934 58.732 0.202 18107 6125 1 14 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.791 0.902 18107 6126 1 14 . 1 1 57 57 GLU H H 74 7.897 7.897 7.755 0.142 18107 6127 1 14 . 1 1 58 58 LEU N N 75 115.348 115.348 119.486 -4.138 18107 6128 1 14 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.118 -0.058 18107 6129 1 14 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.411 -0.517 18107 6130 1 14 . 1 1 58 58 LEU CB C 75 42.330 42.330 41.708 0.622 18107 6131 1 14 . 1 1 58 58 LEU H H 75 7.746 7.746 7.575 0.171 18107 6132 1 14 . 1 1 59 59 LYS N N 76 117.429 117.429 118.723 -1.294 18107 6133 1 14 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.120 0.080 18107 6134 1 14 . 1 1 59 59 LYS CA C 76 56.608 56.608 57.815 -1.207 18107 6135 1 14 . 1 1 59 59 LYS CB C 76 32.883 32.883 31.913 0.970 18107 6136 1 14 . 1 1 59 59 LYS H H 76 7.233 7.233 8.094 -0.861 18107 6137 1 14 . 1 1 60 60 ARG N N 77 120.555 120.555 119.128 1.427 18107 6138 1 14 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.086 0.040 18107 6139 1 14 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.771 -1.072 18107 6140 1 14 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.428 1.370 18107 6141 1 14 . 1 1 60 60 ARG H H 77 7.701 7.701 8.226 -0.525 18107 6142 1 14 . 1 1 61 61 THR N N 78 111.768 111.768 109.224 2.544 18107 6143 1 14 . 1 1 61 61 THR HA H 78 4.414 4.414 3.898 0.516 18107 6144 1 14 . 1 1 61 61 THR CA C 78 62.557 62.557 65.334 -2.777 18107 6145 1 14 . 1 1 61 61 THR CB C 78 69.221 69.221 67.118 2.103 18107 6146 1 14 . 1 1 61 61 THR H H 78 8.638 8.638 7.801 0.838 18107 6147 1 14 . 1 1 62 62 ASP N N 79 120.616 120.616 122.118 -1.502 18107 6148 1 14 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.546 0.086 18107 6149 1 14 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.383 -1.421 18107 6150 1 14 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.184 -0.938 18107 6151 1 14 . 1 1 62 62 ASP H H 79 8.465 8.465 8.269 0.196 18107 6152 1 14 . 1 1 63 63 LEU N N 80 120.063 120.063 120.379 -0.316 18107 6153 1 14 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.197 0.048 18107 6154 1 14 . 1 1 63 63 LEU CA C 80 55.212 55.212 55.712 -0.500 18107 6155 1 14 . 1 1 63 63 LEU CB C 80 43.795 43.795 42.774 1.021 18107 6156 1 14 . 1 1 63 63 LEU H H 80 7.157 7.157 8.129 -0.972 18107 6157 1 14 . 1 1 64 64 ASP N N 81 125.396 125.396 121.334 4.062 18107 6158 1 14 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.863 -0.294 18107 6159 1 14 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.991 0.986 18107 6160 1 14 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.570 0.230 18107 6161 1 14 . 1 1 64 64 ASP H H 81 8.926 8.926 8.030 0.896 18107 6162 1 14 . 1 1 65 65 LEU N N 82 122.508 122.508 121.572 0.936 18107 6163 1 14 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.060 -0.222 18107 6164 1 14 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.896 0.925 18107 6165 1 14 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.817 0.378 18107 6166 1 14 . 1 1 65 65 LEU H H 82 8.281 8.281 8.390 -0.109 18107 6167 1 14 . 1 1 66 66 LEU N N 83 119.413 119.413 119.509 -0.096 18107 6168 1 14 . 1 1 66 66 LEU HA H 83 4.072 4.072 3.918 0.154 18107 6169 1 14 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.578 -0.550 18107 6170 1 14 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.789 0.562 18107 6171 1 14 . 1 1 66 66 LEU H H 83 8.149 8.149 7.955 0.194 18107 6172 1 14 . 1 1 67 67 GLU N N 84 119.941 119.941 118.326 1.615 18107 6173 1 14 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.621 0.225 18107 6174 1 14 . 1 1 67 67 GLU CA C 84 58.523 58.523 58.823 -0.300 18107 6175 1 14 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.703 1.509 18107 6176 1 14 . 1 1 67 67 GLU H H 84 7.725 7.725 7.750 -0.025 18107 6177 1 14 . 1 1 68 68 LYS N N 85 119.400 119.400 119.360 0.040 18107 6178 1 14 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.919 -0.118 18107 6179 1 14 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.049 1.771 18107 6180 1 14 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.502 0.413 18107 6181 1 14 . 1 1 68 68 LYS H H 85 8.117 8.117 7.618 0.499 18107 6182 1 14 . 1 1 69 69 PHE N N 86 117.969 117.969 119.604 -1.635 18107 6183 1 14 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.116 0.173 18107 6184 1 14 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.142 -0.273 18107 6185 1 14 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.818 -0.063 18107 6186 1 14 . 1 1 69 69 PHE H H 86 7.975 7.975 8.585 -0.610 18107 6187 1 14 . 1 1 70 70 ASN N N 87 118.904 118.904 118.299 0.605 18107 6188 1 14 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.184 0.177 18107 6189 1 14 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.887 -0.619 18107 6190 1 14 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.505 -0.407 18107 6191 1 14 . 1 1 70 70 ASN H H 87 8.259 8.259 7.746 0.513 18107 6192 1 14 . 1 1 71 71 PHE N N 88 121.068 121.068 118.174 2.894 18107 6193 1 14 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.740 0.526 18107 6194 1 14 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.110 1.677 18107 6195 1 14 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.634 0.396 18107 6196 1 14 . 1 1 71 71 PHE H H 88 8.618 8.618 7.325 1.293 18107 6197 1 14 . 1 1 72 72 GLU N N 89 120.500 120.500 120.550 -0.050 18107 6198 1 14 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.961 -0.108 18107 6199 1 14 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.017 1.480 18107 6200 1 14 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.015 0.496 18107 6201 1 14 . 1 1 72 72 GLU H H 89 8.709 8.709 8.658 0.051 18107 6202 1 14 . 1 1 73 73 ALA N N 90 123.117 123.117 121.705 1.412 18107 6203 1 14 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.933 0.105 18107 6204 1 14 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.617 0.384 18107 6205 1 14 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.877 0.071 18107 6206 1 14 . 1 1 73 73 ALA H H 90 8.158 8.158 7.882 0.276 18107 6207 1 14 . 1 1 74 74 ALA N N 91 122.919 122.919 121.087 1.832 18107 6208 1 14 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.023 -0.072 18107 6209 1 14 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.536 0.743 18107 6210 1 14 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.178 -0.512 18107 6211 1 14 . 1 1 74 74 ALA H H 91 7.841 7.841 8.056 -0.215 18107 6212 1 14 . 1 1 75 75 LEU N N 92 119.956 119.956 119.624 0.332 18107 6213 1 14 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.131 -0.084 18107 6214 1 14 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.346 0.113 18107 6215 1 14 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.922 0.237 18107 6216 1 14 . 1 1 75 75 LEU H H 92 8.091 8.091 8.606 -0.515 18107 6217 1 14 . 1 1 76 76 ALA N N 93 120.763 120.763 120.992 -0.229 18107 6218 1 14 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.114 0.016 18107 6219 1 14 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.054 0.350 18107 6220 1 14 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.157 -0.287 18107 6221 1 14 . 1 1 76 76 ALA H H 93 7.774 7.774 7.855 -0.081 18107 6222 1 14 . 1 1 77 77 THR N N 94 117.510 117.510 115.859 1.651 18107 6223 1 14 . 1 1 77 77 THR HA H 94 4.234 4.234 4.036 0.198 18107 6224 1 14 . 1 1 77 77 THR CA C 94 67.364 67.364 67.394 -0.030 18107 6225 1 14 . 1 1 77 77 THR CB C 94 68.779 68.779 68.928 -0.149 18107 6226 1 14 . 1 1 77 77 THR H H 94 8.188 8.188 7.779 0.409 18107 6227 1 14 . 1 1 78 78 GLY N N 95 110.009 110.009 109.374 0.635 18107 6228 1 14 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.908 1.242 18107 6229 1 14 . 1 1 78 78 GLY H H 95 8.547 8.547 8.905 -0.358 18107 6230 1 14 . 1 1 79 79 ASP N N 96 121.634 121.634 123.361 -1.727 18107 6231 1 14 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.397 -0.129 18107 6232 1 14 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.850 0.086 18107 6233 1 14 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.828 -0.188 18107 6234 1 14 . 1 1 79 79 ASP H H 96 8.548 8.548 8.306 0.242 18107 6235 1 14 . 1 1 80 80 LEU N N 97 122.599 122.599 119.576 3.023 18107 6236 1 14 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.189 -0.181 18107 6237 1 14 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.324 0.118 18107 6238 1 14 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.761 0.168 18107 6239 1 14 . 1 1 80 80 LEU H H 97 7.618 7.618 7.665 -0.047 18107 6240 1 14 . 1 1 81 81 LEU N N 98 119.913 119.913 116.634 3.279 18107 6241 1 14 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.333 -0.302 18107 6242 1 14 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.672 0.136 18107 6243 1 14 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.338 1.023 18107 6244 1 14 . 1 1 81 81 LEU H H 98 8.224 8.224 7.683 0.541 18107 6245 1 14 . 1 1 82 82 LEU N N 99 118.616 118.616 120.965 -2.349 18107 6246 1 14 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.991 -0.016 18107 6247 1 14 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.758 0.311 18107 6248 1 14 . 1 1 82 82 LEU CB C 99 42.165 42.165 40.874 1.291 18107 6249 1 14 . 1 1 82 82 LEU H H 99 8.359 8.359 8.684 -0.325 18107 6250 1 14 . 1 1 83 83 LYS N N 100 118.988 118.988 119.473 -0.485 18107 6251 1 14 . 1 1 83 83 LYS HA H 100 3.884 3.884 4.002 -0.118 18107 6252 1 14 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.706 0.561 18107 6253 1 14 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.083 0.088 18107 6254 1 14 . 1 1 83 83 LYS H H 100 7.566 7.566 8.049 -0.483 18107 6255 1 14 . 1 1 84 84 ASP N N 101 121.591 121.591 121.002 0.589 18107 6256 1 14 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.499 -0.102 18107 6257 1 14 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.188 0.508 18107 6258 1 14 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.019 -0.614 18107 6259 1 14 . 1 1 84 84 ASP H H 101 7.743 7.743 7.819 -0.076 18107 6260 1 14 . 1 1 85 85 LEU N N 102 123.215 123.215 120.658 2.557 18107 6261 1 14 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.900 -0.050 18107 6262 1 14 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.226 1.615 18107 6263 1 14 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.770 0.802 18107 6264 1 14 . 1 1 85 85 LEU H H 102 8.760 8.760 8.390 0.370 18107 6265 1 14 . 1 1 86 86 LYS N N 103 119.648 119.648 118.182 1.466 18107 6266 1 14 . 1 1 86 86 LYS HA H 103 4.068 4.068 3.999 0.069 18107 6267 1 14 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.569 -0.777 18107 6268 1 14 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.900 -0.768 18107 6269 1 14 . 1 1 86 86 LYS H H 103 8.883 8.883 7.838 1.045 18107 6270 1 14 . 1 1 87 87 ALA N N 104 122.844 122.844 121.595 1.249 18107 6271 1 14 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.215 -0.055 18107 6272 1 14 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.775 0.525 18107 6273 1 14 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.275 -0.255 18107 6274 1 14 . 1 1 87 87 ALA H H 104 7.721 7.721 7.599 0.122 18107 6275 1 14 . 1 1 88 88 LEU N N 105 120.380 120.380 119.192 1.188 18107 6276 1 14 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.067 -0.075 18107 6277 1 14 . 1 1 88 88 LEU CA C 105 58.186 58.186 57.950 0.236 18107 6278 1 14 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.203 1.601 18107 6279 1 14 . 1 1 88 88 LEU H H 105 7.762 7.762 8.121 -0.359 18107 6280 1 14 . 1 1 89 89 GLN N N 106 118.781 118.781 119.418 -0.637 18107 6281 1 14 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.901 -0.316 18107 6282 1 14 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.339 0.638 18107 6283 1 14 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.502 1.125 18107 6284 1 14 . 1 1 89 89 GLN H H 106 8.658 8.658 7.948 0.710 18107 6285 1 14 . 1 1 90 90 LYS N N 107 118.977 118.977 119.300 -0.323 18107 6286 1 14 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.085 -0.137 18107 6287 1 14 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.391 1.104 18107 6288 1 14 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.771 0.652 18107 6289 1 14 . 1 1 90 90 LYS H H 107 7.786 7.786 7.710 0.076 18107 6290 1 14 . 1 1 91 91 ARG N N 108 117.470 117.470 119.916 -2.446 18107 6291 1 14 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.074 -0.071 18107 6292 1 14 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.558 0.024 18107 6293 1 14 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.296 1.332 18107 6294 1 14 . 1 1 91 91 ARG H H 108 7.469 7.469 7.643 -0.174 18107 6295 1 14 . 1 1 92 92 VAL N N 109 117.865 117.865 119.572 -1.707 18107 6296 1 14 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.780 -0.298 18107 6297 1 14 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.652 0.959 18107 6298 1 14 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.100 1.111 18107 6299 1 14 . 1 1 92 92 VAL H H 109 8.084 8.084 8.444 -0.360 18107 6300 1 14 . 1 1 93 93 GLN N N 110 119.617 119.617 118.414 1.203 18107 6301 1 14 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.059 -0.183 18107 6302 1 14 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.909 0.325 18107 6303 1 14 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.553 0.471 18107 6304 1 14 . 1 1 93 93 GLN H H 110 8.512 8.512 8.429 0.083 18107 6305 1 14 . 1 1 94 94 ASP N N 111 117.490 117.490 119.952 -2.462 18107 6306 1 14 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.568 -0.077 18107 6307 1 14 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.123 -0.842 18107 6308 1 14 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.631 0.204 18107 6309 1 14 . 1 1 94 94 ASP H H 111 8.194 8.194 8.322 -0.128 18107 6310 1 14 . 1 1 95 95 SER N N 112 116.625 116.625 114.352 2.273 18107 6311 1 14 . 1 1 95 95 SER HA H 112 4.288 4.288 4.298 -0.010 18107 6312 1 14 . 1 1 95 95 SER CA C 112 59.770 59.770 60.095 -0.325 18107 6313 1 14 . 1 1 95 95 SER CB C 112 63.990 63.990 63.489 0.501 18107 6314 1 14 . 1 1 95 95 SER H H 112 7.479 7.479 7.727 -0.248 18107 6315 1 15 . 1 1 2 2 THR HA H 19 4.222 4.222 4.062 0.160 18107 6316 1 15 . 1 1 2 2 THR CA C 19 63.013 63.013 65.675 -2.662 18107 6317 1 15 . 1 1 2 2 THR CB C 19 69.504 69.504 68.994 0.510 18107 6318 1 15 . 1 1 3 3 ALA N N 20 125.065 125.065 124.650 0.415 18107 6319 1 15 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.987 0.163 18107 6320 1 15 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.126 -0.170 18107 6321 1 15 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.076 0.921 18107 6322 1 15 . 1 1 3 3 ALA H H 20 8.404 8.404 8.110 0.294 18107 6323 1 15 . 1 1 4 4 THR N N 21 109.840 109.840 111.944 -2.104 18107 6324 1 15 . 1 1 4 4 THR HA H 21 4.235 4.235 4.011 0.224 18107 6325 1 15 . 1 1 4 4 THR CA C 21 64.668 64.668 65.296 -0.628 18107 6326 1 15 . 1 1 4 4 THR CB C 21 68.923 68.923 67.693 1.230 18107 6327 1 15 . 1 1 4 4 THR H H 21 7.910 7.910 8.174 -0.264 18107 6328 1 15 . 1 1 5 5 GLN N N 22 122.037 122.037 119.987 2.050 18107 6329 1 15 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.613 0.438 18107 6330 1 15 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.470 -0.306 18107 6331 1 15 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.089 0.468 18107 6332 1 15 . 1 1 5 5 GLN H H 22 7.953 7.953 7.476 0.477 18107 6333 1 15 . 1 1 6 6 ARG N N 23 118.944 118.944 120.348 -1.404 18107 6334 1 15 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.072 0.034 18107 6335 1 15 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.415 -0.323 18107 6336 1 15 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.127 0.020 18107 6337 1 15 . 1 1 6 6 ARG H H 23 7.922 7.922 7.302 0.620 18107 6338 1 15 . 1 1 7 7 PHE N N 24 116.543 116.543 115.602 0.941 18107 6339 1 15 . 1 1 7 7 PHE H H 24 8.276 8.276 7.635 0.641 18107 6340 1 15 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.549 -0.054 18107 6341 1 15 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.708 1.312 18107 6342 1 15 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.323 -0.271 18107 6343 1 15 . 1 1 9 9 GLU N N 26 118.298 118.298 119.395 -1.097 18107 6344 1 15 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.140 -0.150 18107 6345 1 15 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.145 -0.767 18107 6346 1 15 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.267 0.045 18107 6347 1 15 . 1 1 9 9 GLU H H 26 8.148 8.148 8.725 -0.577 18107 6348 1 15 . 1 1 10 10 ILE N N 27 121.761 121.761 117.765 3.996 18107 6349 1 15 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.729 0.235 18107 6350 1 15 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.458 0.005 18107 6351 1 15 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.634 0.616 18107 6352 1 15 . 1 1 10 10 ILE H H 27 8.165 8.165 7.982 0.183 18107 6353 1 15 . 1 1 11 11 GLU N N 28 122.042 122.042 121.295 0.747 18107 6354 1 15 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.985 -0.148 18107 6355 1 15 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.286 0.342 18107 6356 1 15 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.383 0.623 18107 6357 1 15 . 1 1 11 11 GLU H H 28 8.541 8.541 7.744 0.797 18107 6358 1 15 . 1 1 12 12 LYS N N 29 117.967 117.967 118.712 -0.745 18107 6359 1 15 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.090 -0.148 18107 6360 1 15 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.347 0.394 18107 6361 1 15 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.313 0.139 18107 6362 1 15 . 1 1 12 12 LYS H H 29 7.517 7.517 7.824 -0.307 18107 6363 1 15 . 1 1 13 13 PHE N N 30 122.144 122.144 120.404 1.740 18107 6364 1 15 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.279 0.150 18107 6365 1 15 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.387 -0.600 18107 6366 1 15 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.594 0.617 18107 6367 1 15 . 1 1 13 13 PHE H H 30 8.066 8.066 8.058 0.008 18107 6368 1 15 . 1 1 14 14 LEU N N 31 119.404 119.404 119.775 -0.371 18107 6369 1 15 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.011 -0.277 18107 6370 1 15 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.911 -1.147 18107 6371 1 15 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.665 -0.229 18107 6372 1 15 . 1 1 14 14 LEU H H 31 8.739 8.739 8.519 0.220 18107 6373 1 15 . 1 1 15 15 LEU N N 32 121.073 121.073 118.743 2.330 18107 6374 1 15 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.087 -0.127 18107 6375 1 15 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.549 -0.217 18107 6376 1 15 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.190 0.772 18107 6377 1 15 . 1 1 15 15 LEU H H 32 7.736 7.736 7.602 0.134 18107 6378 1 15 . 1 1 16 16 HIS N N 33 118.629 118.629 119.887 -1.258 18107 6379 1 15 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.434 -0.088 18107 6380 1 15 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.771 -0.126 18107 6381 1 15 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.806 -0.505 18107 6382 1 15 . 1 1 16 16 HIS H H 33 7.681 7.681 8.403 -0.722 18107 6383 1 15 . 1 1 17 17 ILE N N 34 118.602 118.602 120.030 -1.428 18107 6384 1 15 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.909 -0.104 18107 6385 1 15 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.325 -0.818 18107 6386 1 15 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.309 0.135 18107 6387 1 15 . 1 1 17 17 ILE H H 34 8.502 8.502 8.864 -0.362 18107 6388 1 15 . 1 1 18 18 THR N N 35 117.776 117.776 115.996 1.780 18107 6389 1 15 . 1 1 18 18 THR HA H 35 4.116 4.116 4.002 0.114 18107 6390 1 15 . 1 1 18 18 THR CA C 35 68.694 68.694 67.267 1.427 18107 6391 1 15 . 1 1 18 18 THR CB C 35 68.694 68.694 68.269 0.425 18107 6392 1 15 . 1 1 18 18 THR H H 35 7.726 7.726 7.893 -0.167 18107 6393 1 15 . 1 1 19 19 HIS N N 36 118.130 118.130 120.737 -2.607 18107 6394 1 15 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.145 0.256 18107 6395 1 15 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.619 0.167 18107 6396 1 15 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.979 -0.909 18107 6397 1 15 . 1 1 19 19 HIS H H 36 7.177 7.177 7.826 -0.649 18107 6398 1 15 . 1 1 20 20 GLU N N 37 119.301 119.301 117.995 1.306 18107 6399 1 15 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.954 0.096 18107 6400 1 15 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.568 -0.011 18107 6401 1 15 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.480 0.576 18107 6402 1 15 . 1 1 20 20 GLU H H 37 7.335 7.335 7.974 -0.639 18107 6403 1 15 . 1 1 21 21 VAL N N 38 122.744 122.744 119.880 2.864 18107 6404 1 15 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.677 -0.255 18107 6405 1 15 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.940 0.109 18107 6406 1 15 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.587 -0.214 18107 6407 1 15 . 1 1 21 21 VAL H H 38 8.385 8.385 7.694 0.691 18107 6408 1 15 . 1 1 22 22 ASP N N 39 120.471 120.471 120.589 -0.118 18107 6409 1 15 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.416 -0.269 18107 6410 1 15 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.693 0.033 18107 6411 1 15 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.276 0.111 18107 6412 1 15 . 1 1 22 22 ASP H H 39 8.054 8.054 7.896 0.158 18107 6413 1 15 . 1 1 23 23 ASP N N 40 118.541 118.541 119.980 -1.439 18107 6414 1 15 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.381 0.039 18107 6415 1 15 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.785 -0.298 18107 6416 1 15 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.007 0.167 18107 6417 1 15 . 1 1 23 23 ASP H H 40 7.587 7.587 7.900 -0.313 18107 6418 1 15 . 1 1 24 24 LEU N N 41 123.241 123.241 117.131 6.110 18107 6419 1 15 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.139 0.029 18107 6420 1 15 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.397 -0.690 18107 6421 1 15 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.053 0.855 18107 6422 1 15 . 1 1 24 24 LEU H H 41 8.032 8.032 8.207 -0.175 18107 6423 1 15 . 1 1 25 25 GLU N N 42 117.508 117.508 119.644 -2.136 18107 6424 1 15 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.041 -0.121 18107 6425 1 15 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.172 -0.090 18107 6426 1 15 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.789 0.074 18107 6427 1 15 . 1 1 25 25 GLU H H 42 8.010 8.010 8.278 -0.268 18107 6428 1 15 . 1 1 26 26 LYS N N 43 117.032 117.032 115.009 2.023 18107 6429 1 15 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.351 -0.108 18107 6430 1 15 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.514 0.737 18107 6431 1 15 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.591 0.916 18107 6432 1 15 . 1 1 26 26 LYS H H 43 7.596 7.596 7.712 -0.116 18107 6433 1 15 . 1 1 27 27 THR N N 44 110.288 110.288 112.769 -2.481 18107 6434 1 15 . 1 1 27 27 THR HA H 44 4.271 4.271 4.455 -0.184 18107 6435 1 15 . 1 1 27 27 THR CA C 44 62.820 62.820 63.253 -0.433 18107 6436 1 15 . 1 1 27 27 THR CB C 44 70.733 70.733 70.534 0.199 18107 6437 1 15 . 1 1 27 27 THR H H 44 8.227 8.227 7.709 0.518 18107 6438 1 15 . 1 1 28 28 GLY N N 45 112.257 112.257 108.841 3.416 18107 6439 1 15 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.220 0.441 18107 6440 1 15 . 1 1 28 28 GLY H H 45 8.727 8.727 8.213 0.514 18107 6441 1 15 . 1 1 29 29 ASN N N 46 118.416 118.416 117.789 0.627 18107 6442 1 15 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.363 0.106 18107 6443 1 15 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.565 0.732 18107 6444 1 15 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.128 1.982 18107 6445 1 15 . 1 1 29 29 ASN H H 46 7.716 7.716 8.584 -0.868 18107 6446 1 15 . 1 1 30 30 LYS N N 47 126.481 126.481 118.255 8.226 18107 6447 1 15 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.144 -0.156 18107 6448 1 15 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.388 0.803 18107 6449 1 15 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.279 0.234 18107 6450 1 15 . 1 1 30 30 LYS H H 47 8.770 8.770 8.485 0.285 18107 6451 1 15 . 1 1 31 31 ASP N N 48 121.710 121.710 115.147 6.563 18107 6452 1 15 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.738 -0.271 18107 6453 1 15 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.441 3.193 18107 6454 1 15 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.630 -1.186 18107 6455 1 15 . 1 1 31 31 ASP H H 48 8.229 8.229 8.152 0.076 18107 6456 1 15 . 1 1 32 32 GLU N N 49 121.695 121.695 121.613 0.082 18107 6457 1 15 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.114 0.243 18107 6458 1 15 . 1 1 32 32 GLU H H 49 8.048 8.048 8.690 -0.642 18107 6459 1 15 . 1 1 33 33 LYS N N 50 120.099 120.099 120.828 -0.729 18107 6460 1 15 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.903 -0.252 18107 6461 1 15 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.305 0.532 18107 6462 1 15 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.107 0.860 18107 6463 1 15 . 1 1 33 33 LYS H H 50 7.975 7.975 7.971 0.004 18107 6464 1 15 . 1 1 34 34 ALA N N 51 118.238 118.238 120.072 -1.834 18107 6465 1 15 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.988 0.001 18107 6466 1 15 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.208 0.186 18107 6467 1 15 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.207 0.005 18107 6468 1 15 . 1 1 34 34 ALA H H 51 7.614 7.614 8.428 -0.814 18107 6469 1 15 . 1 1 35 35 ARG N N 52 120.311 120.311 119.166 1.145 18107 6470 1 15 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.102 1.789 18107 6471 1 15 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.005 1.045 18107 6472 1 15 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.505 -0.094 18107 6473 1 15 . 1 1 35 35 ARG H H 52 7.883 7.883 7.623 0.260 18107 6474 1 15 . 1 1 36 36 LEU N N 53 119.541 119.541 120.948 -1.407 18107 6475 1 15 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.124 -0.178 18107 6476 1 15 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.118 0.371 18107 6477 1 15 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.950 0.492 18107 6478 1 15 . 1 1 36 36 LEU H H 53 8.553 8.553 8.638 -0.085 18107 6479 1 15 . 1 1 37 37 LEU N N 54 117.789 117.789 119.702 -1.913 18107 6480 1 15 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.876 0.189 18107 6481 1 15 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.054 0.587 18107 6482 1 15 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.454 -0.135 18107 6483 1 15 . 1 1 37 37 LEU H H 54 8.341 8.341 8.378 -0.037 18107 6484 1 15 . 1 1 38 38 ARG N N 55 121.176 121.176 119.232 1.944 18107 6485 1 15 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.020 0.048 18107 6486 1 15 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.850 1.475 18107 6487 1 15 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.938 0.132 18107 6488 1 15 . 1 1 38 38 ARG H H 55 7.864 7.864 7.809 0.055 18107 6489 1 15 . 1 1 39 39 GLU N N 56 119.256 119.256 120.534 -1.278 18107 6490 1 15 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.103 -0.043 18107 6491 1 15 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.836 0.058 18107 6492 1 15 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.667 0.234 18107 6493 1 15 . 1 1 39 39 GLU H H 56 8.390 8.390 7.711 0.679 18107 6494 1 15 . 1 1 40 40 LEU N N 57 120.312 120.312 115.810 4.502 18107 6495 1 15 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.430 -0.302 18107 6496 1 15 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.870 0.751 18107 6497 1 15 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.475 0.754 18107 6498 1 15 . 1 1 40 40 LEU H H 57 8.802 8.802 7.788 1.014 18107 6499 1 15 . 1 1 41 41 THR N N 58 117.791 117.791 117.207 0.584 18107 6500 1 15 . 1 1 41 41 THR HA H 58 4.341 4.341 3.896 0.445 18107 6501 1 15 . 1 1 41 41 THR CA C 58 67.542 67.542 67.497 0.045 18107 6502 1 15 . 1 1 41 41 THR CB C 58 69.157 69.157 68.766 0.390 18107 6503 1 15 . 1 1 41 41 THR H H 58 8.182 8.182 7.845 0.337 18107 6504 1 15 . 1 1 42 42 VAL N N 59 123.554 123.554 121.254 2.300 18107 6505 1 15 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.494 0.229 18107 6506 1 15 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.781 0.074 18107 6507 1 15 . 1 1 42 42 VAL H H 59 7.978 7.978 8.286 -0.308 18107 6508 1 15 . 1 1 43 43 SER N N 60 116.859 116.859 114.778 2.081 18107 6509 1 15 . 1 1 43 43 SER HA H 60 4.155 4.155 1.695 2.460 18107 6510 1 15 . 1 1 43 43 SER CA C 60 63.412 63.412 60.990 2.422 18107 6511 1 15 . 1 1 43 43 SER H H 60 7.715 7.715 7.625 0.090 18107 6512 1 15 . 1 1 44 44 GLU N N 61 124.072 124.072 120.995 3.077 18107 6513 1 15 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.853 -0.227 18107 6514 1 15 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.955 1.548 18107 6515 1 15 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.622 0.172 18107 6516 1 15 . 1 1 44 44 GLU H H 61 8.517 8.517 8.126 0.391 18107 6517 1 15 . 1 1 45 45 ALA N N 62 120.467 120.467 121.913 -1.446 18107 6518 1 15 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.067 0.082 18107 6519 1 15 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.031 0.196 18107 6520 1 15 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.160 -0.315 18107 6521 1 15 . 1 1 45 45 ALA H H 62 7.853 7.853 7.588 0.265 18107 6522 1 15 . 1 1 46 46 PHE N N 63 119.936 119.936 117.213 2.723 18107 6523 1 15 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.220 0.045 18107 6524 1 15 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.702 2.834 18107 6525 1 15 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.476 1.716 18107 6526 1 15 . 1 1 46 46 PHE H H 63 7.946 7.946 7.043 0.903 18107 6527 1 15 . 1 1 47 47 ILE N N 64 122.630 122.630 120.287 2.343 18107 6528 1 15 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.587 0.033 18107 6529 1 15 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.614 1.744 18107 6530 1 15 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.821 1.560 18107 6531 1 15 . 1 1 47 47 ILE H H 64 8.595 8.595 7.926 0.669 18107 6532 1 15 . 1 1 48 48 GLU N N 65 120.257 120.257 119.077 1.180 18107 6533 1 15 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.055 0.534 18107 6534 1 15 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.765 -0.409 18107 6535 1 15 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.433 0.168 18107 6536 1 15 . 1 1 48 48 GLU H H 65 9.078 9.078 7.924 1.154 18107 6537 1 15 . 1 1 49 49 GLY N N 66 108.368 108.368 107.636 0.732 18107 6538 1 15 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.675 0.478 18107 6539 1 15 . 1 1 49 49 GLY H H 66 8.379 8.379 8.310 0.069 18107 6540 1 15 . 1 1 50 50 SER N N 67 119.358 119.358 118.411 0.947 18107 6541 1 15 . 1 1 50 50 SER HA H 67 3.988 3.988 3.999 -0.011 18107 6542 1 15 . 1 1 50 50 SER CA C 67 62.501 62.501 61.994 0.507 18107 6543 1 15 . 1 1 50 50 SER CB C 67 63.441 63.441 63.239 0.202 18107 6544 1 15 . 1 1 50 50 SER H H 67 7.694 7.694 8.260 -0.566 18107 6545 1 15 . 1 1 51 51 ARG N N 68 121.212 121.212 121.145 0.067 18107 6546 1 15 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.211 -0.303 18107 6547 1 15 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.667 1.374 18107 6548 1 15 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.107 0.650 18107 6549 1 15 . 1 1 51 51 ARG H H 68 8.684 8.684 7.893 0.791 18107 6550 1 15 . 1 1 52 52 GLY N N 69 124.556 124.556 106.500 18.056 18107 6551 1 15 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.803 0.460 18107 6552 1 15 . 1 1 52 52 GLY H H 69 8.068 8.068 8.142 -0.074 18107 6553 1 15 . 1 1 53 53 TYR N N 70 123.123 123.123 122.801 0.322 18107 6554 1 15 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.169 -0.100 18107 6555 1 15 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.230 -0.410 18107 6556 1 15 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.446 -0.699 18107 6557 1 15 . 1 1 53 53 TYR H H 70 7.337 7.337 7.740 -0.403 18107 6558 1 15 . 1 1 54 54 PHE N N 71 117.809 117.809 118.282 -0.473 18107 6559 1 15 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.963 -0.296 18107 6560 1 15 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.705 -0.216 18107 6561 1 15 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.110 0.639 18107 6562 1 15 . 1 1 54 54 PHE H H 71 7.965 7.965 7.274 0.691 18107 6563 1 15 . 1 1 55 55 GLN N N 72 115.519 115.519 118.192 -2.673 18107 6564 1 15 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.032 -0.174 18107 6565 1 15 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.818 0.790 18107 6566 1 15 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.495 0.501 18107 6567 1 15 . 1 1 55 55 GLN H H 72 8.522 8.522 7.980 0.542 18107 6568 1 15 . 1 1 56 56 ARG N N 73 118.947 118.947 117.741 1.206 18107 6569 1 15 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.123 -0.251 18107 6570 1 15 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.686 2.235 18107 6571 1 15 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.865 0.221 18107 6572 1 15 . 1 1 56 56 ARG H H 73 7.677 7.677 7.693 -0.016 18107 6573 1 15 . 1 1 57 57 GLU N N 74 121.204 121.204 121.884 -0.680 18107 6574 1 15 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.944 -0.262 18107 6575 1 15 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.174 -0.240 18107 6576 1 15 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.919 0.773 18107 6577 1 15 . 1 1 57 57 GLU H H 74 7.897 7.897 8.216 -0.319 18107 6578 1 15 . 1 1 58 58 LEU N N 75 115.348 115.348 119.124 -3.776 18107 6579 1 15 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.181 -0.121 18107 6580 1 15 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.849 -0.955 18107 6581 1 15 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.083 0.247 18107 6582 1 15 . 1 1 58 58 LEU H H 75 7.746 7.746 7.800 -0.054 18107 6583 1 15 . 1 1 59 59 LYS N N 76 117.429 117.429 116.723 0.706 18107 6584 1 15 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.335 -0.135 18107 6585 1 15 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.722 0.886 18107 6586 1 15 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.032 0.851 18107 6587 1 15 . 1 1 59 59 LYS H H 76 7.233 7.233 7.959 -0.726 18107 6588 1 15 . 1 1 60 60 ARG N N 77 120.555 120.555 119.389 1.166 18107 6589 1 15 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.068 0.058 18107 6590 1 15 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.437 -0.738 18107 6591 1 15 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.490 1.308 18107 6592 1 15 . 1 1 60 60 ARG H H 77 7.701 7.701 7.987 -0.286 18107 6593 1 15 . 1 1 61 61 THR N N 78 111.768 111.768 107.584 4.184 18107 6594 1 15 . 1 1 61 61 THR HA H 78 4.414 4.414 4.082 0.332 18107 6595 1 15 . 1 1 61 61 THR CA C 78 62.557 62.557 64.242 -1.685 18107 6596 1 15 . 1 1 61 61 THR CB C 78 69.221 69.221 67.914 1.307 18107 6597 1 15 . 1 1 61 61 THR H H 78 8.638 8.638 8.185 0.453 18107 6598 1 15 . 1 1 62 62 ASP N N 79 120.616 120.616 120.104 0.512 18107 6599 1 15 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.829 -0.197 18107 6600 1 15 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.547 -1.585 18107 6601 1 15 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.557 -1.311 18107 6602 1 15 . 1 1 62 62 ASP H H 79 8.465 8.465 8.460 0.005 18107 6603 1 15 . 1 1 63 63 LEU N N 80 120.063 120.063 116.574 3.489 18107 6604 1 15 . 1 1 63 63 LEU HA H 80 4.245 4.245 5.068 -0.823 18107 6605 1 15 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.803 1.409 18107 6606 1 15 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.718 -1.923 18107 6607 1 15 . 1 1 63 63 LEU H H 80 7.157 7.157 7.628 -0.471 18107 6608 1 15 . 1 1 64 64 ASP N N 81 125.396 125.396 121.952 3.444 18107 6609 1 15 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.912 -0.343 18107 6610 1 15 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.909 1.068 18107 6611 1 15 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.717 -0.917 18107 6612 1 15 . 1 1 64 64 ASP H H 81 8.926 8.926 8.231 0.695 18107 6613 1 15 . 1 1 65 65 LEU N N 82 122.508 122.508 121.051 1.457 18107 6614 1 15 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.102 -0.264 18107 6615 1 15 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.045 0.775 18107 6616 1 15 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.793 0.402 18107 6617 1 15 . 1 1 65 65 LEU H H 82 8.281 8.281 8.356 -0.075 18107 6618 1 15 . 1 1 66 66 LEU N N 83 119.413 119.413 120.892 -1.479 18107 6619 1 15 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.089 -0.017 18107 6620 1 15 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.202 -0.174 18107 6621 1 15 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.529 0.822 18107 6622 1 15 . 1 1 66 66 LEU H H 83 8.149 8.149 7.987 0.162 18107 6623 1 15 . 1 1 67 67 GLU N N 84 119.941 119.941 118.056 1.885 18107 6624 1 15 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.683 0.163 18107 6625 1 15 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.298 -0.775 18107 6626 1 15 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.302 0.910 18107 6627 1 15 . 1 1 67 67 GLU H H 84 7.725 7.725 8.742 -1.017 18107 6628 1 15 . 1 1 68 68 LYS N N 85 119.400 119.400 120.055 -0.655 18107 6629 1 15 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.805 -0.004 18107 6630 1 15 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.416 1.404 18107 6631 1 15 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.353 0.562 18107 6632 1 15 . 1 1 68 68 LYS H H 85 8.117 8.117 8.105 0.012 18107 6633 1 15 . 1 1 69 69 PHE N N 86 117.969 117.969 119.756 -1.787 18107 6634 1 15 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.049 0.240 18107 6635 1 15 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.388 -0.519 18107 6636 1 15 . 1 1 69 69 PHE CB C 86 38.755 38.755 39.005 -0.250 18107 6637 1 15 . 1 1 69 69 PHE H H 86 7.975 7.975 8.081 -0.106 18107 6638 1 15 . 1 1 70 70 ASN N N 87 118.904 118.904 118.380 0.524 18107 6639 1 15 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.378 -0.017 18107 6640 1 15 . 1 1 70 70 ASN CA C 87 56.268 56.268 55.535 0.733 18107 6641 1 15 . 1 1 70 70 ASN CB C 87 38.098 38.098 37.966 0.132 18107 6642 1 15 . 1 1 70 70 ASN H H 87 8.259 8.259 7.360 0.899 18107 6643 1 15 . 1 1 71 71 PHE N N 88 121.068 121.068 118.586 2.482 18107 6644 1 15 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.408 0.858 18107 6645 1 15 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.915 0.872 18107 6646 1 15 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.553 0.477 18107 6647 1 15 . 1 1 71 71 PHE H H 88 8.618 8.618 7.264 1.354 18107 6648 1 15 . 1 1 72 72 GLU N N 89 120.500 120.500 119.708 0.792 18107 6649 1 15 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.906 -0.053 18107 6650 1 15 . 1 1 72 72 GLU CA C 89 60.497 60.497 58.990 1.507 18107 6651 1 15 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.073 0.438 18107 6652 1 15 . 1 1 72 72 GLU H H 89 8.709 8.709 8.643 0.066 18107 6653 1 15 . 1 1 73 73 ALA N N 90 123.117 123.117 122.055 1.062 18107 6654 1 15 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.968 0.070 18107 6655 1 15 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.727 0.274 18107 6656 1 15 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.003 -0.055 18107 6657 1 15 . 1 1 73 73 ALA H H 90 8.158 8.158 7.815 0.343 18107 6658 1 15 . 1 1 74 74 ALA N N 91 122.919 122.919 121.103 1.816 18107 6659 1 15 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.204 -0.253 18107 6660 1 15 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.692 0.587 18107 6661 1 15 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.173 -0.507 18107 6662 1 15 . 1 1 74 74 ALA H H 91 7.841 7.841 8.095 -0.254 18107 6663 1 15 . 1 1 75 75 LEU N N 92 119.956 119.956 119.557 0.399 18107 6664 1 15 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.135 -0.088 18107 6665 1 15 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.012 0.447 18107 6666 1 15 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.818 0.341 18107 6667 1 15 . 1 1 75 75 LEU H H 92 8.091 8.091 8.353 -0.262 18107 6668 1 15 . 1 1 76 76 ALA N N 93 120.763 120.763 121.090 -0.327 18107 6669 1 15 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.106 0.024 18107 6670 1 15 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.319 0.085 18107 6671 1 15 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.099 -0.229 18107 6672 1 15 . 1 1 76 76 ALA H H 93 7.774 7.774 7.829 -0.055 18107 6673 1 15 . 1 1 77 77 THR N N 94 117.510 117.510 115.992 1.518 18107 6674 1 15 . 1 1 77 77 THR HA H 94 4.234 4.234 4.067 0.167 18107 6675 1 15 . 1 1 77 77 THR CA C 94 67.364 67.364 67.788 -0.424 18107 6676 1 15 . 1 1 77 77 THR CB C 94 68.779 68.779 68.819 -0.040 18107 6677 1 15 . 1 1 77 77 THR H H 94 8.188 8.188 7.809 0.379 18107 6678 1 15 . 1 1 78 78 GLY N N 95 110.009 110.009 109.140 0.869 18107 6679 1 15 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.579 1.571 18107 6680 1 15 . 1 1 78 78 GLY H H 95 8.547 8.547 8.770 -0.223 18107 6681 1 15 . 1 1 79 79 ASP N N 96 121.634 121.634 122.516 -0.882 18107 6682 1 15 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.403 -0.135 18107 6683 1 15 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.331 0.605 18107 6684 1 15 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.980 -0.340 18107 6685 1 15 . 1 1 79 79 ASP H H 96 8.548 8.548 7.954 0.594 18107 6686 1 15 . 1 1 80 80 LEU N N 97 122.599 122.599 119.487 3.112 18107 6687 1 15 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.204 -0.196 18107 6688 1 15 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.356 0.086 18107 6689 1 15 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.845 0.084 18107 6690 1 15 . 1 1 80 80 LEU H H 97 7.618 7.618 7.658 -0.040 18107 6691 1 15 . 1 1 81 81 LEU N N 98 119.913 119.913 117.437 2.476 18107 6692 1 15 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.573 -0.542 18107 6693 1 15 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.609 0.199 18107 6694 1 15 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.284 1.077 18107 6695 1 15 . 1 1 81 81 LEU H H 98 8.224 8.224 7.710 0.514 18107 6696 1 15 . 1 1 82 82 LEU N N 99 118.616 118.616 120.749 -2.133 18107 6697 1 15 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.878 0.097 18107 6698 1 15 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.232 -0.163 18107 6699 1 15 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.419 0.746 18107 6700 1 15 . 1 1 82 82 LEU H H 99 8.359 8.359 8.567 -0.208 18107 6701 1 15 . 1 1 83 83 LYS N N 100 118.988 118.988 119.162 -0.174 18107 6702 1 15 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.954 -0.070 18107 6703 1 15 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.011 0.255 18107 6704 1 15 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.133 0.038 18107 6705 1 15 . 1 1 83 83 LYS H H 100 7.566 7.566 7.880 -0.314 18107 6706 1 15 . 1 1 84 84 ASP N N 101 121.591 121.591 120.938 0.653 18107 6707 1 15 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.460 -0.063 18107 6708 1 15 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.090 0.606 18107 6709 1 15 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.636 -0.231 18107 6710 1 15 . 1 1 84 84 ASP H H 101 7.743 7.743 7.935 -0.192 18107 6711 1 15 . 1 1 85 85 LEU N N 102 123.215 123.215 120.716 2.499 18107 6712 1 15 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.895 -0.045 18107 6713 1 15 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.341 1.500 18107 6714 1 15 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.798 0.774 18107 6715 1 15 . 1 1 85 85 LEU H H 102 8.760 8.760 8.434 0.326 18107 6716 1 15 . 1 1 86 86 LYS N N 103 119.648 119.648 118.431 1.217 18107 6717 1 15 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.104 -0.036 18107 6718 1 15 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.183 -0.391 18107 6719 1 15 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.911 -0.779 18107 6720 1 15 . 1 1 86 86 LYS H H 103 8.883 8.883 7.834 1.049 18107 6721 1 15 . 1 1 87 87 ALA N N 104 122.844 122.844 122.396 0.448 18107 6722 1 15 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.181 -0.021 18107 6723 1 15 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.685 0.615 18107 6724 1 15 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.333 -0.313 18107 6725 1 15 . 1 1 87 87 ALA H H 104 7.721 7.721 7.709 0.012 18107 6726 1 15 . 1 1 88 88 LEU N N 105 120.380 120.380 118.889 1.491 18107 6727 1 15 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.070 -0.078 18107 6728 1 15 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.030 0.156 18107 6729 1 15 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.190 1.614 18107 6730 1 15 . 1 1 88 88 LEU H H 105 7.762 7.762 8.253 -0.491 18107 6731 1 15 . 1 1 89 89 GLN N N 106 118.781 118.781 119.349 -0.568 18107 6732 1 15 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.892 -0.307 18107 6733 1 15 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.493 0.484 18107 6734 1 15 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.480 1.147 18107 6735 1 15 . 1 1 89 89 GLN H H 106 8.658 8.658 8.163 0.495 18107 6736 1 15 . 1 1 90 90 LYS N N 107 118.977 118.977 119.050 -0.073 18107 6737 1 15 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.081 -0.133 18107 6738 1 15 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.361 1.134 18107 6739 1 15 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.872 0.551 18107 6740 1 15 . 1 1 90 90 LYS H H 107 7.786 7.786 7.687 0.099 18107 6741 1 15 . 1 1 91 91 ARG N N 108 117.470 117.470 120.534 -3.064 18107 6742 1 15 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.067 -0.064 18107 6743 1 15 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.452 0.130 18107 6744 1 15 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.205 1.423 18107 6745 1 15 . 1 1 91 91 ARG H H 108 7.469 7.469 7.647 -0.178 18107 6746 1 15 . 1 1 92 92 VAL N N 109 117.865 117.865 119.158 -1.293 18107 6747 1 15 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.759 -0.277 18107 6748 1 15 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.137 0.474 18107 6749 1 15 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.287 0.924 18107 6750 1 15 . 1 1 92 92 VAL H H 109 8.084 8.084 8.417 -0.333 18107 6751 1 15 . 1 1 93 93 GLN N N 110 119.617 119.617 118.131 1.486 18107 6752 1 15 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.107 -0.231 18107 6753 1 15 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.789 0.445 18107 6754 1 15 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.464 0.560 18107 6755 1 15 . 1 1 93 93 GLN H H 110 8.512 8.512 8.425 0.087 18107 6756 1 15 . 1 1 94 94 ASP N N 111 117.490 117.490 120.836 -3.346 18107 6757 1 15 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.523 -0.032 18107 6758 1 15 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.180 -0.899 18107 6759 1 15 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.668 0.167 18107 6760 1 15 . 1 1 94 94 ASP H H 111 8.194 8.194 8.274 -0.080 18107 6761 1 15 . 1 1 95 95 SER N N 112 116.625 116.625 113.789 2.836 18107 6762 1 15 . 1 1 95 95 SER HA H 112 4.288 4.288 4.295 -0.007 18107 6763 1 15 . 1 1 95 95 SER CA C 112 59.770 59.770 61.110 -1.340 18107 6764 1 15 . 1 1 95 95 SER CB C 112 63.990 63.990 63.663 0.327 18107 6765 1 15 . 1 1 95 95 SER H H 112 7.479 7.479 7.710 -0.231 18107 6766 1 16 . 1 1 2 2 THR HA H 19 4.222 4.222 4.273 -0.051 18107 6767 1 16 . 1 1 2 2 THR CA C 19 63.013 63.013 64.649 -1.636 18107 6768 1 16 . 1 1 2 2 THR CB C 19 69.504 69.504 68.946 0.558 18107 6769 1 16 . 1 1 3 3 ALA N N 20 125.065 125.065 123.909 1.156 18107 6770 1 16 . 1 1 3 3 ALA HA H 20 4.150 4.150 4.217 -0.067 18107 6771 1 16 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.108 -0.152 18107 6772 1 16 . 1 1 3 3 ALA CB C 20 18.997 18.997 17.756 1.241 18107 6773 1 16 . 1 1 3 3 ALA H H 20 8.404 8.404 8.280 0.124 18107 6774 1 16 . 1 1 4 4 THR N N 21 109.840 109.840 112.571 -2.731 18107 6775 1 16 . 1 1 4 4 THR HA H 21 4.235 4.235 3.962 0.273 18107 6776 1 16 . 1 1 4 4 THR CA C 21 64.668 64.668 65.750 -1.082 18107 6777 1 16 . 1 1 4 4 THR CB C 21 68.923 68.923 68.332 0.591 18107 6778 1 16 . 1 1 4 4 THR H H 21 7.910 7.910 8.065 -0.155 18107 6779 1 16 . 1 1 5 5 GLN N N 22 122.037 122.037 121.323 0.714 18107 6780 1 16 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.114 -0.063 18107 6781 1 16 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.951 -0.787 18107 6782 1 16 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.560 -0.003 18107 6783 1 16 . 1 1 5 5 GLN H H 22 7.953 7.953 7.871 0.082 18107 6784 1 16 . 1 1 6 6 ARG N N 23 118.944 118.944 119.254 -0.310 18107 6785 1 16 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.237 -0.131 18107 6786 1 16 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.514 -0.422 18107 6787 1 16 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.646 -0.499 18107 6788 1 16 . 1 1 6 6 ARG H H 23 7.922 7.922 7.809 0.113 18107 6789 1 16 . 1 1 7 7 PHE N N 24 116.543 116.543 114.441 2.102 18107 6790 1 16 . 1 1 7 7 PHE H H 24 8.276 8.276 7.743 0.533 18107 6791 1 16 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.740 -0.245 18107 6792 1 16 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.107 1.913 18107 6793 1 16 . 1 1 8 8 HIS CB C 25 30.052 30.052 32.272 -2.220 18107 6794 1 16 . 1 1 9 9 GLU N N 26 118.298 118.298 119.992 -1.694 18107 6795 1 16 . 1 1 9 9 GLU HA H 26 3.990 3.990 3.951 0.039 18107 6796 1 16 . 1 1 9 9 GLU CA C 26 59.378 59.378 60.153 -0.775 18107 6797 1 16 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.417 -0.105 18107 6798 1 16 . 1 1 9 9 GLU H H 26 8.148 8.148 7.728 0.420 18107 6799 1 16 . 1 1 10 10 ILE N N 27 121.761 121.761 117.148 4.613 18107 6800 1 16 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.587 0.377 18107 6801 1 16 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.468 -2.005 18107 6802 1 16 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.542 -0.292 18107 6803 1 16 . 1 1 10 10 ILE H H 27 8.165 8.165 8.286 -0.121 18107 6804 1 16 . 1 1 11 11 GLU N N 28 122.042 122.042 121.102 0.940 18107 6805 1 16 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.922 -0.085 18107 6806 1 16 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.248 0.380 18107 6807 1 16 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.121 0.885 18107 6808 1 16 . 1 1 11 11 GLU H H 28 8.541 8.541 8.408 0.133 18107 6809 1 16 . 1 1 12 12 LYS N N 29 117.967 117.967 118.913 -0.946 18107 6810 1 16 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.033 -0.091 18107 6811 1 16 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.488 0.253 18107 6812 1 16 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.159 0.293 18107 6813 1 16 . 1 1 12 12 LYS H H 29 7.517 7.517 7.981 -0.464 18107 6814 1 16 . 1 1 13 13 PHE N N 30 122.144 122.144 120.626 1.518 18107 6815 1 16 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.230 0.199 18107 6816 1 16 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.490 -0.703 18107 6817 1 16 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.725 0.486 18107 6818 1 16 . 1 1 13 13 PHE H H 30 8.066 8.066 7.923 0.143 18107 6819 1 16 . 1 1 14 14 LEU N N 31 119.404 119.404 118.982 0.422 18107 6820 1 16 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.890 -0.156 18107 6821 1 16 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.112 -0.348 18107 6822 1 16 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.703 -0.267 18107 6823 1 16 . 1 1 14 14 LEU H H 31 8.739 8.739 8.631 0.108 18107 6824 1 16 . 1 1 15 15 LEU N N 32 121.073 121.073 115.744 5.329 18107 6825 1 16 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.126 -0.166 18107 6826 1 16 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.812 0.520 18107 6827 1 16 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.708 1.254 18107 6828 1 16 . 1 1 15 15 LEU H H 32 7.736 7.736 7.783 -0.047 18107 6829 1 16 . 1 1 16 16 HIS N N 33 118.629 118.629 119.435 -0.806 18107 6830 1 16 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.359 -0.013 18107 6831 1 16 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.894 -0.249 18107 6832 1 16 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.350 -0.049 18107 6833 1 16 . 1 1 16 16 HIS H H 33 7.681 7.681 8.262 -0.581 18107 6834 1 16 . 1 1 17 17 ILE N N 34 118.602 118.602 119.694 -1.092 18107 6835 1 16 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.786 0.019 18107 6836 1 16 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.846 -1.339 18107 6837 1 16 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.072 -0.626 18107 6838 1 16 . 1 1 17 17 ILE H H 34 8.502 8.502 8.602 -0.100 18107 6839 1 16 . 1 1 18 18 THR N N 35 117.776 117.776 116.281 1.495 18107 6840 1 16 . 1 1 18 18 THR HA H 35 4.116 4.116 3.940 0.176 18107 6841 1 16 . 1 1 18 18 THR CA C 35 68.694 68.694 67.270 1.423 18107 6842 1 16 . 1 1 18 18 THR CB C 35 68.694 68.694 68.196 0.498 18107 6843 1 16 . 1 1 18 18 THR H H 35 7.726 7.726 7.841 -0.115 18107 6844 1 16 . 1 1 19 19 HIS N N 36 118.130 118.130 120.177 -2.047 18107 6845 1 16 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.077 0.324 18107 6846 1 16 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.878 -0.092 18107 6847 1 16 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.894 -0.824 18107 6848 1 16 . 1 1 19 19 HIS H H 36 7.177 7.177 7.854 -0.677 18107 6849 1 16 . 1 1 20 20 GLU N N 37 119.301 119.301 118.924 0.377 18107 6850 1 16 . 1 1 20 20 GLU HA H 37 4.050 4.050 3.976 0.074 18107 6851 1 16 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.289 0.268 18107 6852 1 16 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.497 0.559 18107 6853 1 16 . 1 1 20 20 GLU H H 37 7.335 7.335 7.824 -0.489 18107 6854 1 16 . 1 1 21 21 VAL N N 38 122.744 122.744 119.005 3.739 18107 6855 1 16 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.591 -0.169 18107 6856 1 16 . 1 1 21 21 VAL CA C 38 67.049 67.049 67.118 -0.069 18107 6857 1 16 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.664 -0.291 18107 6858 1 16 . 1 1 21 21 VAL H H 38 8.385 8.385 7.656 0.729 18107 6859 1 16 . 1 1 22 22 ASP N N 39 120.471 120.471 120.403 0.068 18107 6860 1 16 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.354 -0.207 18107 6861 1 16 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.488 0.238 18107 6862 1 16 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.771 -0.384 18107 6863 1 16 . 1 1 22 22 ASP H H 39 8.054 8.054 7.763 0.291 18107 6864 1 16 . 1 1 23 23 ASP N N 40 118.541 118.541 120.283 -1.742 18107 6865 1 16 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.367 0.053 18107 6866 1 16 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.237 0.250 18107 6867 1 16 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.871 0.303 18107 6868 1 16 . 1 1 23 23 ASP H H 40 7.587 7.587 7.890 -0.303 18107 6869 1 16 . 1 1 24 24 LEU N N 41 123.241 123.241 116.659 6.582 18107 6870 1 16 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.200 -0.032 18107 6871 1 16 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.921 -0.214 18107 6872 1 16 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.107 0.802 18107 6873 1 16 . 1 1 24 24 LEU H H 41 8.032 8.032 8.257 -0.225 18107 6874 1 16 . 1 1 25 25 GLU N N 42 117.508 117.508 119.709 -2.201 18107 6875 1 16 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.034 -0.114 18107 6876 1 16 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.332 -0.250 18107 6877 1 16 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.763 0.100 18107 6878 1 16 . 1 1 25 25 GLU H H 42 8.010 8.010 8.424 -0.414 18107 6879 1 16 . 1 1 26 26 LYS N N 43 117.032 117.032 115.525 1.507 18107 6880 1 16 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.359 -0.116 18107 6881 1 16 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.575 0.676 18107 6882 1 16 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.411 1.095 18107 6883 1 16 . 1 1 26 26 LYS H H 43 7.596 7.596 7.725 -0.129 18107 6884 1 16 . 1 1 27 27 THR N N 44 110.288 110.288 111.954 -1.666 18107 6885 1 16 . 1 1 27 27 THR HA H 44 4.271 4.271 4.424 -0.153 18107 6886 1 16 . 1 1 27 27 THR CA C 44 62.820 62.820 63.227 -0.407 18107 6887 1 16 . 1 1 27 27 THR CB C 44 70.733 70.733 69.940 0.793 18107 6888 1 16 . 1 1 27 27 THR H H 44 8.227 8.227 7.267 0.960 18107 6889 1 16 . 1 1 28 28 GLY N N 45 112.257 112.257 107.838 4.419 18107 6890 1 16 . 1 1 28 28 GLY CA C 45 46.661 46.661 46.292 0.369 18107 6891 1 16 . 1 1 28 28 GLY H H 45 8.727 8.727 8.285 0.442 18107 6892 1 16 . 1 1 29 29 ASN N N 46 118.416 118.416 117.084 1.332 18107 6893 1 16 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.325 0.144 18107 6894 1 16 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.836 0.462 18107 6895 1 16 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.702 2.408 18107 6896 1 16 . 1 1 29 29 ASN H H 46 7.716 7.716 8.517 -0.801 18107 6897 1 16 . 1 1 30 30 LYS N N 47 126.481 126.481 118.605 7.876 18107 6898 1 16 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.102 -0.114 18107 6899 1 16 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.418 0.773 18107 6900 1 16 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.077 0.436 18107 6901 1 16 . 1 1 30 30 LYS H H 47 8.770 8.770 8.449 0.321 18107 6902 1 16 . 1 1 31 31 ASP N N 48 121.710 121.710 115.497 6.213 18107 6903 1 16 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.861 -0.394 18107 6904 1 16 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.353 3.282 18107 6905 1 16 . 1 1 31 31 ASP CB C 48 40.444 40.444 42.051 -1.607 18107 6906 1 16 . 1 1 31 31 ASP H H 48 8.229 8.229 8.240 -0.011 18107 6907 1 16 . 1 1 32 32 GLU N N 49 121.695 121.695 121.691 0.004 18107 6908 1 16 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.141 0.216 18107 6909 1 16 . 1 1 32 32 GLU H H 49 8.048 8.048 8.756 -0.708 18107 6910 1 16 . 1 1 33 33 LYS N N 50 120.099 120.099 118.786 1.313 18107 6911 1 16 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.952 -0.301 18107 6912 1 16 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.468 0.369 18107 6913 1 16 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.947 1.020 18107 6914 1 16 . 1 1 33 33 LYS H H 50 7.975 7.975 8.455 -0.480 18107 6915 1 16 . 1 1 34 34 ALA N N 51 118.238 118.238 120.803 -2.565 18107 6916 1 16 . 1 1 34 34 ALA HA H 51 3.989 3.989 3.966 0.023 18107 6917 1 16 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.234 0.159 18107 6918 1 16 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.470 -0.258 18107 6919 1 16 . 1 1 34 34 ALA H H 51 7.614 7.614 8.385 -0.771 18107 6920 1 16 . 1 1 35 35 ARG N N 52 120.311 120.311 118.822 1.489 18107 6921 1 16 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.118 1.773 18107 6922 1 16 . 1 1 35 35 ARG CA C 52 60.050 60.050 58.969 1.081 18107 6923 1 16 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.120 0.291 18107 6924 1 16 . 1 1 35 35 ARG H H 52 7.883 7.883 7.912 -0.029 18107 6925 1 16 . 1 1 36 36 LEU N N 53 119.541 119.541 119.474 0.067 18107 6926 1 16 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.230 -0.284 18107 6927 1 16 . 1 1 36 36 LEU CA C 53 58.489 58.489 57.970 0.519 18107 6928 1 16 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.641 0.801 18107 6929 1 16 . 1 1 36 36 LEU H H 53 8.553 8.553 8.425 0.128 18107 6930 1 16 . 1 1 37 37 LEU N N 54 117.789 117.789 120.601 -2.812 18107 6931 1 16 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.861 0.204 18107 6932 1 16 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.235 0.407 18107 6933 1 16 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.374 -0.055 18107 6934 1 16 . 1 1 37 37 LEU H H 54 8.341 8.341 8.517 -0.176 18107 6935 1 16 . 1 1 38 38 ARG N N 55 121.176 121.176 119.022 2.154 18107 6936 1 16 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.052 0.016 18107 6937 1 16 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.143 1.182 18107 6938 1 16 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.932 0.138 18107 6939 1 16 . 1 1 38 38 ARG H H 55 7.864 7.864 7.967 -0.103 18107 6940 1 16 . 1 1 39 39 GLU N N 56 119.256 119.256 120.965 -1.709 18107 6941 1 16 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.106 -0.046 18107 6942 1 16 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.932 -0.038 18107 6943 1 16 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.627 0.274 18107 6944 1 16 . 1 1 39 39 GLU H H 56 8.390 8.390 7.717 0.673 18107 6945 1 16 . 1 1 40 40 LEU N N 57 120.312 120.312 116.386 3.926 18107 6946 1 16 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.211 -0.083 18107 6947 1 16 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.221 0.400 18107 6948 1 16 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.117 1.112 18107 6949 1 16 . 1 1 40 40 LEU H H 57 8.802 8.802 8.164 0.638 18107 6950 1 16 . 1 1 41 41 THR N N 58 117.791 117.791 117.209 0.582 18107 6951 1 16 . 1 1 41 41 THR HA H 58 4.341 4.341 3.904 0.437 18107 6952 1 16 . 1 1 41 41 THR CA C 58 67.542 67.542 67.215 0.327 18107 6953 1 16 . 1 1 41 41 THR CB C 58 69.157 69.157 68.418 0.739 18107 6954 1 16 . 1 1 41 41 THR H H 58 8.182 8.182 7.995 0.187 18107 6955 1 16 . 1 1 42 42 VAL N N 59 123.554 123.554 120.926 2.628 18107 6956 1 16 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.630 0.093 18107 6957 1 16 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.464 1.391 18107 6958 1 16 . 1 1 42 42 VAL H H 59 7.978 7.978 8.138 -0.160 18107 6959 1 16 . 1 1 43 43 SER N N 60 116.859 116.859 115.430 1.429 18107 6960 1 16 . 1 1 43 43 SER HA H 60 4.155 4.155 1.830 2.325 18107 6961 1 16 . 1 1 43 43 SER CA C 60 63.412 63.412 60.782 2.631 18107 6962 1 16 . 1 1 43 43 SER H H 60 7.715 7.715 7.564 0.151 18107 6963 1 16 . 1 1 44 44 GLU N N 61 124.072 124.072 121.065 3.007 18107 6964 1 16 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.909 -0.283 18107 6965 1 16 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.914 1.588 18107 6966 1 16 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.262 0.532 18107 6967 1 16 . 1 1 44 44 GLU H H 61 8.517 8.517 8.171 0.346 18107 6968 1 16 . 1 1 45 45 ALA N N 62 120.467 120.467 121.707 -1.240 18107 6969 1 16 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.049 0.100 18107 6970 1 16 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.882 0.344 18107 6971 1 16 . 1 1 45 45 ALA CB C 62 17.845 17.845 17.974 -0.129 18107 6972 1 16 . 1 1 45 45 ALA H H 62 7.853 7.853 7.463 0.390 18107 6973 1 16 . 1 1 46 46 PHE N N 63 119.936 119.936 116.905 3.031 18107 6974 1 16 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.176 0.089 18107 6975 1 16 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.730 2.806 18107 6976 1 16 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.462 1.730 18107 6977 1 16 . 1 1 46 46 PHE H H 63 7.946 7.946 7.034 0.912 18107 6978 1 16 . 1 1 47 47 ILE N N 64 122.630 122.630 120.305 2.325 18107 6979 1 16 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.514 0.106 18107 6980 1 16 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.160 2.198 18107 6981 1 16 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.005 1.376 18107 6982 1 16 . 1 1 47 47 ILE H H 64 8.595 8.595 7.855 0.740 18107 6983 1 16 . 1 1 48 48 GLU N N 65 120.257 120.257 119.472 0.785 18107 6984 1 16 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.054 0.535 18107 6985 1 16 . 1 1 48 48 GLU CA C 65 59.356 59.356 60.116 -0.760 18107 6986 1 16 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.556 0.045 18107 6987 1 16 . 1 1 48 48 GLU H H 65 9.078 9.078 8.302 0.776 18107 6988 1 16 . 1 1 49 49 GLY N N 66 108.368 108.368 106.783 1.585 18107 6989 1 16 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.658 0.495 18107 6990 1 16 . 1 1 49 49 GLY H H 66 8.379 8.379 8.300 0.079 18107 6991 1 16 . 1 1 50 50 SER N N 67 119.358 119.358 117.142 2.216 18107 6992 1 16 . 1 1 50 50 SER HA H 67 3.988 3.988 3.976 0.012 18107 6993 1 16 . 1 1 50 50 SER CA C 67 62.501 62.501 61.112 1.389 18107 6994 1 16 . 1 1 50 50 SER CB C 67 63.441 63.441 62.891 0.550 18107 6995 1 16 . 1 1 50 50 SER H H 67 7.694 7.694 8.063 -0.369 18107 6996 1 16 . 1 1 51 51 ARG N N 68 121.212 121.212 120.839 0.373 18107 6997 1 16 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.128 -0.220 18107 6998 1 16 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.438 1.603 18107 6999 1 16 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.309 0.448 18107 7000 1 16 . 1 1 51 51 ARG H H 68 8.684 8.684 7.915 0.769 18107 7001 1 16 . 1 1 52 52 GLY N N 69 124.556 124.556 106.237 18.319 18107 7002 1 16 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.725 0.538 18107 7003 1 16 . 1 1 52 52 GLY H H 69 8.068 8.068 8.095 -0.027 18107 7004 1 16 . 1 1 53 53 TYR N N 70 123.123 123.123 123.749 -0.626 18107 7005 1 16 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.118 -0.049 18107 7006 1 16 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.495 -0.675 18107 7007 1 16 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.445 -0.698 18107 7008 1 16 . 1 1 53 53 TYR H H 70 7.337 7.337 7.591 -0.254 18107 7009 1 16 . 1 1 54 54 PHE N N 71 117.809 117.809 118.043 -0.234 18107 7010 1 16 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.883 -0.216 18107 7011 1 16 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.857 -0.368 18107 7012 1 16 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.922 0.827 18107 7013 1 16 . 1 1 54 54 PHE H H 71 7.965 7.965 7.530 0.435 18107 7014 1 16 . 1 1 55 55 GLN N N 72 115.519 115.519 118.028 -2.509 18107 7015 1 16 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.020 -0.162 18107 7016 1 16 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.820 0.788 18107 7017 1 16 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.423 0.573 18107 7018 1 16 . 1 1 55 55 GLN H H 72 8.522 8.522 8.003 0.519 18107 7019 1 16 . 1 1 56 56 ARG N N 73 118.947 118.947 118.548 0.399 18107 7020 1 16 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.076 -0.204 18107 7021 1 16 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.320 1.601 18107 7022 1 16 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.706 0.380 18107 7023 1 16 . 1 1 56 56 ARG H H 73 7.677 7.677 7.571 0.106 18107 7024 1 16 . 1 1 57 57 GLU N N 74 121.204 121.204 120.962 0.242 18107 7025 1 16 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.932 -0.249 18107 7026 1 16 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.184 -0.250 18107 7027 1 16 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.945 0.748 18107 7028 1 16 . 1 1 57 57 GLU H H 74 7.897 7.897 8.183 -0.286 18107 7029 1 16 . 1 1 58 58 LEU N N 75 115.348 115.348 119.358 -4.010 18107 7030 1 16 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.148 -0.088 18107 7031 1 16 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.555 -0.661 18107 7032 1 16 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.108 0.222 18107 7033 1 16 . 1 1 58 58 LEU H H 75 7.746 7.746 7.711 0.035 18107 7034 1 16 . 1 1 59 59 LYS N N 76 117.429 117.429 116.229 1.200 18107 7035 1 16 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.264 -0.064 18107 7036 1 16 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.770 -0.162 18107 7037 1 16 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.379 0.504 18107 7038 1 16 . 1 1 59 59 LYS H H 76 7.233 7.233 7.840 -0.607 18107 7039 1 16 . 1 1 60 60 ARG N N 77 120.555 120.555 120.563 -0.008 18107 7040 1 16 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.116 0.010 18107 7041 1 16 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.652 -0.953 18107 7042 1 16 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.447 1.351 18107 7043 1 16 . 1 1 60 60 ARG H H 77 7.701 7.701 7.978 -0.277 18107 7044 1 16 . 1 1 61 61 THR N N 78 111.768 111.768 107.566 4.202 18107 7045 1 16 . 1 1 61 61 THR HA H 78 4.414 4.414 4.068 0.346 18107 7046 1 16 . 1 1 61 61 THR CA C 78 62.557 62.557 64.183 -1.626 18107 7047 1 16 . 1 1 61 61 THR CB C 78 69.221 69.221 68.087 1.134 18107 7048 1 16 . 1 1 61 61 THR H H 78 8.638 8.638 8.064 0.574 18107 7049 1 16 . 1 1 62 62 ASP N N 79 120.616 120.616 119.507 1.109 18107 7050 1 16 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.860 -0.228 18107 7051 1 16 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.187 -1.225 18107 7052 1 16 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.432 -1.186 18107 7053 1 16 . 1 1 62 62 ASP H H 79 8.465 8.465 8.395 0.070 18107 7054 1 16 . 1 1 63 63 LEU N N 80 120.063 120.063 116.932 3.131 18107 7055 1 16 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.869 -0.624 18107 7056 1 16 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.579 1.633 18107 7057 1 16 . 1 1 63 63 LEU CB C 80 43.795 43.795 46.178 -2.383 18107 7058 1 16 . 1 1 63 63 LEU H H 80 7.157 7.157 7.377 -0.220 18107 7059 1 16 . 1 1 64 64 ASP N N 81 125.396 125.396 121.797 3.599 18107 7060 1 16 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.954 -0.385 18107 7061 1 16 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.314 0.663 18107 7062 1 16 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.568 0.232 18107 7063 1 16 . 1 1 64 64 ASP H H 81 8.926 8.926 8.145 0.781 18107 7064 1 16 . 1 1 65 65 LEU N N 82 122.508 122.508 118.884 3.624 18107 7065 1 16 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.248 -0.410 18107 7066 1 16 . 1 1 65 65 LEU CA C 82 58.821 58.821 58.044 0.777 18107 7067 1 16 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.689 0.506 18107 7068 1 16 . 1 1 65 65 LEU H H 82 8.281 8.281 8.226 0.056 18107 7069 1 16 . 1 1 66 66 LEU N N 83 119.413 119.413 120.138 -0.725 18107 7070 1 16 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.153 -0.081 18107 7071 1 16 . 1 1 66 66 LEU CA C 83 58.028 58.028 57.874 0.154 18107 7072 1 16 . 1 1 66 66 LEU CB C 83 41.351 41.351 39.831 1.520 18107 7073 1 16 . 1 1 66 66 LEU H H 83 8.149 8.149 8.050 0.099 18107 7074 1 16 . 1 1 67 67 GLU N N 84 119.941 119.941 118.997 0.944 18107 7075 1 16 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.781 0.065 18107 7076 1 16 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.055 -0.532 18107 7077 1 16 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.176 1.036 18107 7078 1 16 . 1 1 67 67 GLU H H 84 7.725 7.725 8.507 -0.782 18107 7079 1 16 . 1 1 68 68 LYS N N 85 119.400 119.400 119.374 0.026 18107 7080 1 16 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.837 -0.036 18107 7081 1 16 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.205 1.615 18107 7082 1 16 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.292 0.623 18107 7083 1 16 . 1 1 68 68 LYS H H 85 8.117 8.117 8.226 -0.109 18107 7084 1 16 . 1 1 69 69 PHE N N 86 117.969 117.969 120.321 -2.352 18107 7085 1 16 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.112 0.177 18107 7086 1 16 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.170 -0.301 18107 7087 1 16 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.865 -0.111 18107 7088 1 16 . 1 1 69 69 PHE H H 86 7.975 7.975 8.174 -0.199 18107 7089 1 16 . 1 1 70 70 ASN N N 87 118.904 118.904 118.461 0.443 18107 7090 1 16 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.162 0.199 18107 7091 1 16 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.664 -0.396 18107 7092 1 16 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.322 -0.224 18107 7093 1 16 . 1 1 70 70 ASN H H 87 8.259 8.259 7.286 0.973 18107 7094 1 16 . 1 1 71 71 PHE N N 88 121.068 121.068 118.504 2.564 18107 7095 1 16 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.272 0.995 18107 7096 1 16 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.376 1.411 18107 7097 1 16 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.093 0.937 18107 7098 1 16 . 1 1 71 71 PHE H H 88 8.618 8.618 7.319 1.299 18107 7099 1 16 . 1 1 72 72 GLU N N 89 120.500 120.500 119.301 1.199 18107 7100 1 16 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.885 -0.032 18107 7101 1 16 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.352 1.145 18107 7102 1 16 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.088 0.423 18107 7103 1 16 . 1 1 72 72 GLU H H 89 8.709 8.709 8.609 0.100 18107 7104 1 16 . 1 1 73 73 ALA N N 90 123.117 123.117 121.799 1.318 18107 7105 1 16 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.793 0.245 18107 7106 1 16 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.535 0.466 18107 7107 1 16 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.668 0.280 18107 7108 1 16 . 1 1 73 73 ALA H H 90 8.158 8.158 7.698 0.460 18107 7109 1 16 . 1 1 74 74 ALA N N 91 122.919 122.919 121.150 1.769 18107 7110 1 16 . 1 1 74 74 ALA HA H 91 3.951 3.951 3.659 0.292 18107 7111 1 16 . 1 1 74 74 ALA CA C 91 55.279 55.279 53.874 1.405 18107 7112 1 16 . 1 1 74 74 ALA CB C 91 17.666 17.666 17.922 -0.257 18107 7113 1 16 . 1 1 74 74 ALA H H 91 7.841 7.841 7.863 -0.022 18107 7114 1 16 . 1 1 75 75 LEU N N 92 119.956 119.956 119.426 0.530 18107 7115 1 16 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.044 0.003 18107 7116 1 16 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.056 0.403 18107 7117 1 16 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.721 0.438 18107 7118 1 16 . 1 1 75 75 LEU H H 92 8.091 8.091 8.163 -0.072 18107 7119 1 16 . 1 1 76 76 ALA N N 93 120.763 120.763 120.850 -0.087 18107 7120 1 16 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.066 0.064 18107 7121 1 16 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.116 0.288 18107 7122 1 16 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.209 -0.339 18107 7123 1 16 . 1 1 76 76 ALA H H 93 7.774 7.774 7.707 0.067 18107 7124 1 16 . 1 1 77 77 THR N N 94 117.510 117.510 115.937 1.573 18107 7125 1 16 . 1 1 77 77 THR HA H 94 4.234 4.234 4.010 0.224 18107 7126 1 16 . 1 1 77 77 THR CA C 94 67.364 67.364 66.521 0.843 18107 7127 1 16 . 1 1 77 77 THR CB C 94 68.779 68.779 68.165 0.614 18107 7128 1 16 . 1 1 77 77 THR H H 94 8.188 8.188 7.597 0.591 18107 7129 1 16 . 1 1 78 78 GLY N N 95 110.009 110.009 110.205 -0.196 18107 7130 1 16 . 1 1 78 78 GLY CA C 95 48.150 48.150 47.194 0.956 18107 7131 1 16 . 1 1 78 78 GLY H H 95 8.547 8.547 8.798 -0.251 18107 7132 1 16 . 1 1 79 79 ASP N N 96 121.634 121.634 122.984 -1.350 18107 7133 1 16 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.528 -0.260 18107 7134 1 16 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.268 0.668 18107 7135 1 16 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.715 -0.075 18107 7136 1 16 . 1 1 79 79 ASP H H 96 8.548 8.548 8.182 0.366 18107 7137 1 16 . 1 1 80 80 LEU N N 97 122.599 122.599 119.684 2.915 18107 7138 1 16 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.100 -0.092 18107 7139 1 16 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.838 0.604 18107 7140 1 16 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.263 -0.334 18107 7141 1 16 . 1 1 80 80 LEU H H 97 7.618 7.618 7.718 -0.100 18107 7142 1 16 . 1 1 81 81 LEU N N 98 119.913 119.913 117.917 1.996 18107 7143 1 16 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.159 -0.128 18107 7144 1 16 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.220 -0.412 18107 7145 1 16 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.356 1.004 18107 7146 1 16 . 1 1 81 81 LEU H H 98 8.224 8.224 7.872 0.352 18107 7147 1 16 . 1 1 82 82 LEU N N 99 118.616 118.616 120.741 -2.125 18107 7148 1 16 . 1 1 82 82 LEU HA H 99 3.975 3.975 4.090 -0.115 18107 7149 1 16 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.868 0.201 18107 7150 1 16 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.575 0.590 18107 7151 1 16 . 1 1 82 82 LEU H H 99 8.359 8.359 8.705 -0.346 18107 7152 1 16 . 1 1 83 83 LYS N N 100 118.988 118.988 118.791 0.197 18107 7153 1 16 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.970 -0.086 18107 7154 1 16 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.179 0.087 18107 7155 1 16 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.126 0.045 18107 7156 1 16 . 1 1 83 83 LYS H H 100 7.566 7.566 7.838 -0.272 18107 7157 1 16 . 1 1 84 84 ASP N N 101 121.591 121.591 120.709 0.882 18107 7158 1 16 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.493 -0.096 18107 7159 1 16 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.687 1.009 18107 7160 1 16 . 1 1 84 84 ASP CB C 101 40.405 40.405 41.112 -0.707 18107 7161 1 16 . 1 1 84 84 ASP H H 101 7.743 7.743 7.840 -0.097 18107 7162 1 16 . 1 1 85 85 LEU N N 102 123.215 123.215 121.152 2.063 18107 7163 1 16 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.963 -0.113 18107 7164 1 16 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.198 1.643 18107 7165 1 16 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.979 0.593 18107 7166 1 16 . 1 1 85 85 LEU H H 102 8.760 8.760 8.332 0.428 18107 7167 1 16 . 1 1 86 86 LYS N N 103 119.648 119.648 118.394 1.254 18107 7168 1 16 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.051 0.017 18107 7169 1 16 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.343 -0.551 18107 7170 1 16 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.863 -0.731 18107 7171 1 16 . 1 1 86 86 LYS H H 103 8.883 8.883 7.867 1.016 18107 7172 1 16 . 1 1 87 87 ALA N N 104 122.844 122.844 122.425 0.419 18107 7173 1 16 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.188 -0.028 18107 7174 1 16 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.644 0.656 18107 7175 1 16 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.400 -0.380 18107 7176 1 16 . 1 1 87 87 ALA H H 104 7.721 7.721 7.712 0.009 18107 7177 1 16 . 1 1 88 88 LEU N N 105 120.380 120.380 118.686 1.694 18107 7178 1 16 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.077 -0.085 18107 7179 1 16 . 1 1 88 88 LEU CA C 105 58.186 58.186 57.877 0.309 18107 7180 1 16 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.176 1.627 18107 7181 1 16 . 1 1 88 88 LEU H H 105 7.762 7.762 8.264 -0.502 18107 7182 1 16 . 1 1 89 89 GLN N N 106 118.781 118.781 119.665 -0.884 18107 7183 1 16 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.899 -0.314 18107 7184 1 16 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.853 0.124 18107 7185 1 16 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.466 1.161 18107 7186 1 16 . 1 1 89 89 GLN H H 106 8.658 8.658 8.354 0.304 18107 7187 1 16 . 1 1 90 90 LYS N N 107 118.977 118.977 119.638 -0.661 18107 7188 1 16 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.046 -0.098 18107 7189 1 16 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.774 -0.279 18107 7190 1 16 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.106 0.317 18107 7191 1 16 . 1 1 90 90 LYS H H 107 7.786 7.786 7.753 0.033 18107 7192 1 16 . 1 1 91 91 ARG N N 108 117.470 117.470 120.194 -2.724 18107 7193 1 16 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.020 -0.017 18107 7194 1 16 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.724 -0.141 18107 7195 1 16 . 1 1 91 91 ARG CB C 108 31.628 31.628 29.988 1.640 18107 7196 1 16 . 1 1 91 91 ARG H H 108 7.469 7.469 7.630 -0.161 18107 7197 1 16 . 1 1 92 92 VAL N N 109 117.865 117.865 117.825 0.040 18107 7198 1 16 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.826 -0.344 18107 7199 1 16 . 1 1 92 92 VAL CA C 109 66.611 66.611 65.161 1.450 18107 7200 1 16 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.750 0.460 18107 7201 1 16 . 1 1 92 92 VAL H H 109 8.084 8.084 8.402 -0.318 18107 7202 1 16 . 1 1 93 93 GLN N N 110 119.617 119.617 118.306 1.311 18107 7203 1 16 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.112 -0.236 18107 7204 1 16 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.054 1.180 18107 7205 1 16 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.734 0.290 18107 7206 1 16 . 1 1 93 93 GLN H H 110 8.512 8.512 8.325 0.187 18107 7207 1 16 . 1 1 94 94 ASP N N 111 117.490 117.490 118.945 -1.455 18107 7208 1 16 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.588 -0.097 18107 7209 1 16 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.434 -1.153 18107 7210 1 16 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.382 -1.547 18107 7211 1 16 . 1 1 94 94 ASP H H 111 8.194 8.194 7.804 0.390 18107 7212 1 16 . 1 1 95 95 SER N N 112 116.625 116.625 110.862 5.763 18107 7213 1 16 . 1 1 95 95 SER HA H 112 4.288 4.288 4.016 0.272 18107 7214 1 16 . 1 1 95 95 SER CA C 112 59.770 59.770 60.092 -0.322 18107 7215 1 16 . 1 1 95 95 SER CB C 112 63.990 63.990 61.520 2.470 18107 7216 1 16 . 1 1 95 95 SER H H 112 7.479 7.479 8.607 -1.128 18107 7217 1 17 . 1 1 2 2 THR HA H 19 4.222 4.222 4.003 0.219 18107 7218 1 17 . 1 1 2 2 THR CA C 19 63.013 63.013 64.873 -1.860 18107 7219 1 17 . 1 1 2 2 THR CB C 19 69.504 69.504 69.141 0.363 18107 7220 1 17 . 1 1 3 3 ALA N N 20 125.065 125.065 122.743 2.322 18107 7221 1 17 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.935 0.215 18107 7222 1 17 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.075 -0.119 18107 7223 1 17 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.189 0.808 18107 7224 1 17 . 1 1 3 3 ALA H H 20 8.404 8.404 8.402 0.002 18107 7225 1 17 . 1 1 4 4 THR N N 21 109.840 109.840 110.597 -0.757 18107 7226 1 17 . 1 1 4 4 THR HA H 21 4.235 4.235 3.938 0.297 18107 7227 1 17 . 1 1 4 4 THR CA C 21 64.668 64.668 65.008 -0.340 18107 7228 1 17 . 1 1 4 4 THR CB C 21 68.923 68.923 67.967 0.956 18107 7229 1 17 . 1 1 4 4 THR H H 21 7.910 7.910 7.685 0.225 18107 7230 1 17 . 1 1 5 5 GLN N N 22 122.037 122.037 118.823 3.214 18107 7231 1 17 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.996 0.055 18107 7232 1 17 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.581 -0.417 18107 7233 1 17 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.642 -0.085 18107 7234 1 17 . 1 1 5 5 GLN H H 22 7.953 7.953 7.666 0.287 18107 7235 1 17 . 1 1 6 6 ARG N N 23 118.944 118.944 118.971 -0.027 18107 7236 1 17 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.065 0.041 18107 7237 1 17 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.462 -0.370 18107 7238 1 17 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.383 -0.235 18107 7239 1 17 . 1 1 6 6 ARG H H 23 7.922 7.922 7.449 0.473 18107 7240 1 17 . 1 1 7 7 PHE N N 24 116.543 116.543 115.351 1.192 18107 7241 1 17 . 1 1 7 7 PHE H H 24 8.276 8.276 7.579 0.697 18107 7242 1 17 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.733 -0.238 18107 7243 1 17 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.600 2.420 18107 7244 1 17 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.724 -1.672 18107 7245 1 17 . 1 1 9 9 GLU N N 26 118.298 118.298 119.795 -1.497 18107 7246 1 17 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.173 -0.183 18107 7247 1 17 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.913 -0.535 18107 7248 1 17 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.658 -0.346 18107 7249 1 17 . 1 1 9 9 GLU H H 26 8.148 8.148 8.799 -0.651 18107 7250 1 17 . 1 1 10 10 ILE N N 27 121.761 121.761 117.769 3.992 18107 7251 1 17 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.789 0.175 18107 7252 1 17 . 1 1 10 10 ILE CA C 27 63.463 63.463 65.473 -2.010 18107 7253 1 17 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.854 -0.604 18107 7254 1 17 . 1 1 10 10 ILE H H 27 8.165 8.165 8.364 -0.199 18107 7255 1 17 . 1 1 11 11 GLU N N 28 122.042 122.042 120.801 1.241 18107 7256 1 17 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.964 -0.127 18107 7257 1 17 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.114 0.514 18107 7258 1 17 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.454 0.552 18107 7259 1 17 . 1 1 11 11 GLU H H 28 8.541 8.541 8.356 0.185 18107 7260 1 17 . 1 1 12 12 LYS N N 29 117.967 117.967 118.962 -0.995 18107 7261 1 17 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.062 -0.120 18107 7262 1 17 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.459 0.282 18107 7263 1 17 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.237 0.215 18107 7264 1 17 . 1 1 12 12 LYS H H 29 7.517 7.517 7.895 -0.378 18107 7265 1 17 . 1 1 13 13 PHE N N 30 122.144 122.144 120.295 1.849 18107 7266 1 17 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.240 0.189 18107 7267 1 17 . 1 1 13 13 PHE CA C 30 60.787 60.787 62.392 -1.605 18107 7268 1 17 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.957 0.254 18107 7269 1 17 . 1 1 13 13 PHE H H 30 8.066 8.066 8.027 0.039 18107 7270 1 17 . 1 1 14 14 LEU N N 31 119.404 119.404 119.907 -0.503 18107 7271 1 17 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.012 -0.278 18107 7272 1 17 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.978 -1.214 18107 7273 1 17 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.639 -0.203 18107 7274 1 17 . 1 1 14 14 LEU H H 31 8.739 8.739 8.100 0.639 18107 7275 1 17 . 1 1 15 15 LEU N N 32 121.073 121.073 118.083 2.990 18107 7276 1 17 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.982 -0.022 18107 7277 1 17 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.952 0.380 18107 7278 1 17 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.862 1.099 18107 7279 1 17 . 1 1 15 15 LEU H H 32 7.736 7.736 7.640 0.096 18107 7280 1 17 . 1 1 16 16 HIS N N 33 118.629 118.629 119.556 -0.927 18107 7281 1 17 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.371 -0.025 18107 7282 1 17 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.728 -0.083 18107 7283 1 17 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.299 0.002 18107 7284 1 17 . 1 1 16 16 HIS H H 33 7.681 7.681 8.337 -0.656 18107 7285 1 17 . 1 1 17 17 ILE N N 34 118.602 118.602 120.515 -1.913 18107 7286 1 17 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.990 -0.185 18107 7287 1 17 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.799 -1.292 18107 7288 1 17 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.178 -0.733 18107 7289 1 17 . 1 1 17 17 ILE H H 34 8.502 8.502 8.822 -0.320 18107 7290 1 17 . 1 1 18 18 THR N N 35 117.776 117.776 116.286 1.490 18107 7291 1 17 . 1 1 18 18 THR HA H 35 4.116 4.116 3.994 0.122 18107 7292 1 17 . 1 1 18 18 THR CA C 35 68.694 68.694 66.650 2.044 18107 7293 1 17 . 1 1 18 18 THR CB C 35 68.694 68.694 68.110 0.584 18107 7294 1 17 . 1 1 18 18 THR H H 35 7.726 7.726 7.850 -0.124 18107 7295 1 17 . 1 1 19 19 HIS N N 36 118.130 118.130 120.839 -2.709 18107 7296 1 17 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.174 0.227 18107 7297 1 17 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.331 -0.545 18107 7298 1 17 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.904 -0.834 18107 7299 1 17 . 1 1 19 19 HIS H H 36 7.177 7.177 7.864 -0.687 18107 7300 1 17 . 1 1 20 20 GLU N N 37 119.301 119.301 118.488 0.813 18107 7301 1 17 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.033 0.017 18107 7302 1 17 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.514 0.043 18107 7303 1 17 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.761 0.295 18107 7304 1 17 . 1 1 20 20 GLU H H 37 7.335 7.335 7.975 -0.640 18107 7305 1 17 . 1 1 21 21 VAL N N 38 122.744 122.744 119.602 3.142 18107 7306 1 17 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.733 -0.311 18107 7307 1 17 . 1 1 21 21 VAL CA C 38 67.049 67.049 65.710 1.339 18107 7308 1 17 . 1 1 21 21 VAL CB C 38 31.373 31.373 30.943 0.430 18107 7309 1 17 . 1 1 21 21 VAL H H 38 8.385 8.385 7.492 0.893 18107 7310 1 17 . 1 1 22 22 ASP N N 39 120.471 120.471 120.720 -0.249 18107 7311 1 17 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.362 -0.215 18107 7312 1 17 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.926 -0.200 18107 7313 1 17 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.800 -0.413 18107 7314 1 17 . 1 1 22 22 ASP H H 39 8.054 8.054 7.766 0.288 18107 7315 1 17 . 1 1 23 23 ASP N N 40 118.541 118.541 120.293 -1.752 18107 7316 1 17 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.426 -0.006 18107 7317 1 17 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.254 0.233 18107 7318 1 17 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.085 0.089 18107 7319 1 17 . 1 1 23 23 ASP H H 40 7.587 7.587 7.965 -0.378 18107 7320 1 17 . 1 1 24 24 LEU N N 41 123.241 123.241 117.219 6.022 18107 7321 1 17 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.218 -0.050 18107 7322 1 17 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.130 -0.423 18107 7323 1 17 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.272 0.637 18107 7324 1 17 . 1 1 24 24 LEU H H 41 8.032 8.032 8.163 -0.131 18107 7325 1 17 . 1 1 25 25 GLU N N 42 117.508 117.508 120.525 -3.017 18107 7326 1 17 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.222 -0.302 18107 7327 1 17 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.268 -0.186 18107 7328 1 17 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.786 0.077 18107 7329 1 17 . 1 1 25 25 GLU H H 42 8.010 8.010 8.323 -0.313 18107 7330 1 17 . 1 1 26 26 LYS N N 43 117.032 117.032 115.224 1.808 18107 7331 1 17 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.346 -0.103 18107 7332 1 17 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.672 0.579 18107 7333 1 17 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.234 1.273 18107 7334 1 17 . 1 1 26 26 LYS H H 43 7.596 7.596 7.728 -0.132 18107 7335 1 17 . 1 1 27 27 THR N N 44 110.288 110.288 112.403 -2.115 18107 7336 1 17 . 1 1 27 27 THR HA H 44 4.271 4.271 4.433 -0.162 18107 7337 1 17 . 1 1 27 27 THR CA C 44 62.820 62.820 63.359 -0.539 18107 7338 1 17 . 1 1 27 27 THR CB C 44 70.733 70.733 70.148 0.585 18107 7339 1 17 . 1 1 27 27 THR H H 44 8.227 8.227 7.275 0.952 18107 7340 1 17 . 1 1 28 28 GLY N N 45 112.257 112.257 107.820 4.437 18107 7341 1 17 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.959 0.702 18107 7342 1 17 . 1 1 28 28 GLY H H 45 8.727 8.727 8.322 0.405 18107 7343 1 17 . 1 1 29 29 ASN N N 46 118.416 118.416 118.295 0.121 18107 7344 1 17 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.285 0.184 18107 7345 1 17 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.953 0.344 18107 7346 1 17 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.525 2.585 18107 7347 1 17 . 1 1 29 29 ASN H H 46 7.716 7.716 8.239 -0.523 18107 7348 1 17 . 1 1 30 30 LYS N N 47 126.481 126.481 119.326 7.155 18107 7349 1 17 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.142 -0.154 18107 7350 1 17 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.610 0.581 18107 7351 1 17 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.557 -0.044 18107 7352 1 17 . 1 1 30 30 LYS H H 47 8.770 8.770 8.447 0.323 18107 7353 1 17 . 1 1 31 31 ASP N N 48 121.710 121.710 115.093 6.617 18107 7354 1 17 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.805 -0.338 18107 7355 1 17 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.275 3.360 18107 7356 1 17 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.788 -1.344 18107 7357 1 17 . 1 1 31 31 ASP H H 48 8.229 8.229 8.156 0.073 18107 7358 1 17 . 1 1 32 32 GLU N N 49 121.695 121.695 121.912 -0.217 18107 7359 1 17 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.205 0.152 18107 7360 1 17 . 1 1 32 32 GLU H H 49 8.048 8.048 8.690 -0.642 18107 7361 1 17 . 1 1 33 33 LYS N N 50 120.099 120.099 119.023 1.076 18107 7362 1 17 . 1 1 33 33 LYS HA H 50 3.651 3.651 4.002 -0.351 18107 7363 1 17 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.575 0.262 18107 7364 1 17 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.789 1.178 18107 7365 1 17 . 1 1 33 33 LYS H H 50 7.975 7.975 8.526 -0.551 18107 7366 1 17 . 1 1 34 34 ALA N N 51 118.238 118.238 120.576 -2.338 18107 7367 1 17 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.042 -0.053 18107 7368 1 17 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.071 0.322 18107 7369 1 17 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.301 -0.089 18107 7370 1 17 . 1 1 34 34 ALA H H 51 7.614 7.614 8.361 -0.747 18107 7371 1 17 . 1 1 35 35 ARG N N 52 120.311 120.311 119.318 0.993 18107 7372 1 17 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.111 1.780 18107 7373 1 17 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.260 0.790 18107 7374 1 17 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.486 -0.075 18107 7375 1 17 . 1 1 35 35 ARG H H 52 7.883 7.883 7.702 0.181 18107 7376 1 17 . 1 1 36 36 LEU N N 53 119.541 119.541 119.818 -0.277 18107 7377 1 17 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.166 -0.220 18107 7378 1 17 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.424 0.065 18107 7379 1 17 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.264 1.178 18107 7380 1 17 . 1 1 36 36 LEU H H 53 8.553 8.553 8.716 -0.163 18107 7381 1 17 . 1 1 37 37 LEU N N 54 117.789 117.789 120.463 -2.674 18107 7382 1 17 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.885 0.180 18107 7383 1 17 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.113 0.529 18107 7384 1 17 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.417 -0.098 18107 7385 1 17 . 1 1 37 37 LEU H H 54 8.341 8.341 8.368 -0.027 18107 7386 1 17 . 1 1 38 38 ARG N N 55 121.176 121.176 118.673 2.503 18107 7387 1 17 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.042 0.026 18107 7388 1 17 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.924 1.401 18107 7389 1 17 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.862 0.208 18107 7390 1 17 . 1 1 38 38 ARG H H 55 7.864 7.864 7.813 0.051 18107 7391 1 17 . 1 1 39 39 GLU N N 56 119.256 119.256 120.710 -1.454 18107 7392 1 17 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.114 -0.054 18107 7393 1 17 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.497 0.397 18107 7394 1 17 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.467 0.434 18107 7395 1 17 . 1 1 39 39 GLU H H 56 8.390 8.390 7.727 0.663 18107 7396 1 17 . 1 1 40 40 LEU N N 57 120.312 120.312 117.572 2.740 18107 7397 1 17 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.200 -0.072 18107 7398 1 17 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.310 0.311 18107 7399 1 17 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.309 0.921 18107 7400 1 17 . 1 1 40 40 LEU H H 57 8.802 8.802 8.246 0.556 18107 7401 1 17 . 1 1 41 41 THR N N 58 117.791 117.791 117.519 0.272 18107 7402 1 17 . 1 1 41 41 THR HA H 58 4.341 4.341 4.154 0.187 18107 7403 1 17 . 1 1 41 41 THR CA C 58 67.542 67.542 66.526 1.016 18107 7404 1 17 . 1 1 41 41 THR CB C 58 69.157 69.157 68.311 0.846 18107 7405 1 17 . 1 1 41 41 THR H H 58 8.182 8.182 8.065 0.117 18107 7406 1 17 . 1 1 42 42 VAL N N 59 123.554 123.554 120.701 2.853 18107 7407 1 17 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.625 0.098 18107 7408 1 17 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.511 1.344 18107 7409 1 17 . 1 1 42 42 VAL H H 59 7.978 7.978 8.268 -0.290 18107 7410 1 17 . 1 1 43 43 SER N N 60 116.859 116.859 114.965 1.894 18107 7411 1 17 . 1 1 43 43 SER HA H 60 4.155 4.155 1.743 2.412 18107 7412 1 17 . 1 1 43 43 SER CA C 60 63.412 63.412 60.910 2.502 18107 7413 1 17 . 1 1 43 43 SER H H 60 7.715 7.715 7.533 0.182 18107 7414 1 17 . 1 1 44 44 GLU N N 61 124.072 124.072 120.539 3.533 18107 7415 1 17 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.749 -0.123 18107 7416 1 17 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.151 1.351 18107 7417 1 17 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.463 0.331 18107 7418 1 17 . 1 1 44 44 GLU H H 61 8.517 8.517 8.217 0.300 18107 7419 1 17 . 1 1 45 45 ALA N N 62 120.467 120.467 122.258 -1.791 18107 7420 1 17 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.053 0.096 18107 7421 1 17 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.972 0.254 18107 7422 1 17 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.309 -0.464 18107 7423 1 17 . 1 1 45 45 ALA H H 62 7.853 7.853 7.572 0.281 18107 7424 1 17 . 1 1 46 46 PHE N N 63 119.936 119.936 117.164 2.772 18107 7425 1 17 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.232 0.033 18107 7426 1 17 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.698 2.838 18107 7427 1 17 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.528 1.664 18107 7428 1 17 . 1 1 46 46 PHE H H 63 7.946 7.946 7.017 0.929 18107 7429 1 17 . 1 1 47 47 ILE N N 64 122.630 122.630 120.360 2.270 18107 7430 1 17 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.569 0.051 18107 7431 1 17 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.414 1.944 18107 7432 1 17 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.860 1.521 18107 7433 1 17 . 1 1 47 47 ILE H H 64 8.595 8.595 8.252 0.343 18107 7434 1 17 . 1 1 48 48 GLU N N 65 120.257 120.257 119.364 0.893 18107 7435 1 17 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.004 0.585 18107 7436 1 17 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.747 -0.391 18107 7437 1 17 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.369 0.232 18107 7438 1 17 . 1 1 48 48 GLU H H 65 9.078 9.078 8.233 0.845 18107 7439 1 17 . 1 1 49 49 GLY N N 66 108.368 108.368 107.277 1.091 18107 7440 1 17 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.712 0.441 18107 7441 1 17 . 1 1 49 49 GLY H H 66 8.379 8.379 8.275 0.104 18107 7442 1 17 . 1 1 50 50 SER N N 67 119.358 119.358 117.689 1.669 18107 7443 1 17 . 1 1 50 50 SER HA H 67 3.988 3.988 4.109 -0.121 18107 7444 1 17 . 1 1 50 50 SER CA C 67 62.501 62.501 61.631 0.870 18107 7445 1 17 . 1 1 50 50 SER CB C 67 63.441 63.441 63.248 0.193 18107 7446 1 17 . 1 1 50 50 SER H H 67 7.694 7.694 8.234 -0.540 18107 7447 1 17 . 1 1 51 51 ARG N N 68 121.212 121.212 119.513 1.699 18107 7448 1 17 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.246 -0.338 18107 7449 1 17 . 1 1 51 51 ARG CA C 68 61.041 61.041 58.885 2.156 18107 7450 1 17 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.611 1.145 18107 7451 1 17 . 1 1 51 51 ARG H H 68 8.684 8.684 8.193 0.491 18107 7452 1 17 . 1 1 52 52 GLY N N 69 124.556 124.556 107.212 17.344 18107 7453 1 17 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.639 0.624 18107 7454 1 17 . 1 1 52 52 GLY H H 69 8.068 8.068 8.270 -0.202 18107 7455 1 17 . 1 1 53 53 TYR N N 70 123.123 123.123 123.439 -0.316 18107 7456 1 17 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.141 -0.072 18107 7457 1 17 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.360 -0.540 18107 7458 1 17 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.504 -0.757 18107 7459 1 17 . 1 1 53 53 TYR H H 70 7.337 7.337 7.622 -0.285 18107 7460 1 17 . 1 1 54 54 PHE N N 71 117.809 117.809 118.180 -0.371 18107 7461 1 17 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.020 -0.353 18107 7462 1 17 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.259 0.230 18107 7463 1 17 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.920 0.829 18107 7464 1 17 . 1 1 54 54 PHE H H 71 7.965 7.965 7.588 0.377 18107 7465 1 17 . 1 1 55 55 GLN N N 72 115.519 115.519 117.970 -2.451 18107 7466 1 17 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.065 -0.207 18107 7467 1 17 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.037 0.571 18107 7468 1 17 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.649 0.347 18107 7469 1 17 . 1 1 55 55 GLN H H 72 8.522 8.522 7.830 0.692 18107 7470 1 17 . 1 1 56 56 ARG N N 73 118.947 118.947 117.108 1.839 18107 7471 1 17 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.106 -0.234 18107 7472 1 17 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.420 1.501 18107 7473 1 17 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.903 0.183 18107 7474 1 17 . 1 1 56 56 ARG H H 73 7.677 7.677 7.663 0.014 18107 7475 1 17 . 1 1 57 57 GLU N N 74 121.204 121.204 121.552 -0.348 18107 7476 1 17 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.925 -0.243 18107 7477 1 17 . 1 1 57 57 GLU CA C 74 58.934 58.934 58.930 0.004 18107 7478 1 17 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.934 0.759 18107 7479 1 17 . 1 1 57 57 GLU H H 74 7.897 7.897 8.242 -0.345 18107 7480 1 17 . 1 1 58 58 LEU N N 75 115.348 115.348 118.823 -3.475 18107 7481 1 17 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.175 -0.115 18107 7482 1 17 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.675 -0.780 18107 7483 1 17 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.090 0.240 18107 7484 1 17 . 1 1 58 58 LEU H H 75 7.746 7.746 7.744 0.002 18107 7485 1 17 . 1 1 59 59 LYS N N 76 117.429 117.429 117.222 0.207 18107 7486 1 17 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.287 -0.087 18107 7487 1 17 . 1 1 59 59 LYS CA C 76 56.608 56.608 57.117 -0.509 18107 7488 1 17 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.284 0.599 18107 7489 1 17 . 1 1 59 59 LYS H H 76 7.233 7.233 7.812 -0.579 18107 7490 1 17 . 1 1 60 60 ARG N N 77 120.555 120.555 120.503 0.052 18107 7491 1 17 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.069 0.057 18107 7492 1 17 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.742 -1.043 18107 7493 1 17 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.412 1.386 18107 7494 1 17 . 1 1 60 60 ARG H H 77 7.701 7.701 8.053 -0.352 18107 7495 1 17 . 1 1 61 61 THR N N 78 111.768 111.768 107.474 4.294 18107 7496 1 17 . 1 1 61 61 THR HA H 78 4.414 4.414 4.108 0.306 18107 7497 1 17 . 1 1 61 61 THR CA C 78 62.557 62.557 64.374 -1.817 18107 7498 1 17 . 1 1 61 61 THR CB C 78 69.221 69.221 67.502 1.719 18107 7499 1 17 . 1 1 61 61 THR H H 78 8.638 8.638 8.226 0.412 18107 7500 1 17 . 1 1 62 62 ASP N N 79 120.616 120.616 119.967 0.649 18107 7501 1 17 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.877 -0.245 18107 7502 1 17 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.582 -1.620 18107 7503 1 17 . 1 1 62 62 ASP CB C 79 40.246 40.246 40.980 -0.734 18107 7504 1 17 . 1 1 62 62 ASP H H 79 8.465 8.465 8.430 0.035 18107 7505 1 17 . 1 1 63 63 LEU N N 80 120.063 120.063 117.332 2.731 18107 7506 1 17 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.755 -0.510 18107 7507 1 17 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.794 1.419 18107 7508 1 17 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.937 -2.142 18107 7509 1 17 . 1 1 63 63 LEU H H 80 7.157 7.157 7.457 -0.300 18107 7510 1 17 . 1 1 64 64 ASP N N 81 125.396 125.396 121.680 3.716 18107 7511 1 17 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.948 -0.379 18107 7512 1 17 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.431 0.546 18107 7513 1 17 . 1 1 64 64 ASP CB C 81 42.800 42.800 42.581 0.219 18107 7514 1 17 . 1 1 64 64 ASP H H 81 8.926 8.926 8.212 0.714 18107 7515 1 17 . 1 1 65 65 LEU N N 82 122.508 122.508 119.437 3.071 18107 7516 1 17 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.178 -0.340 18107 7517 1 17 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.892 0.929 18107 7518 1 17 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.829 0.366 18107 7519 1 17 . 1 1 65 65 LEU H H 82 8.281 8.281 8.241 0.040 18107 7520 1 17 . 1 1 66 66 LEU N N 83 119.413 119.413 120.488 -1.075 18107 7521 1 17 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.275 -0.203 18107 7522 1 17 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.215 -0.187 18107 7523 1 17 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.359 0.992 18107 7524 1 17 . 1 1 66 66 LEU H H 83 8.149 8.149 8.169 -0.020 18107 7525 1 17 . 1 1 67 67 GLU N N 84 119.941 119.941 117.982 1.959 18107 7526 1 17 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.756 0.090 18107 7527 1 17 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.014 -0.491 18107 7528 1 17 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.912 1.300 18107 7529 1 17 . 1 1 67 67 GLU H H 84 7.725 7.725 8.457 -0.732 18107 7530 1 17 . 1 1 68 68 LYS N N 85 119.400 119.400 119.756 -0.356 18107 7531 1 17 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.804 -0.003 18107 7532 1 17 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.144 1.676 18107 7533 1 17 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.089 0.826 18107 7534 1 17 . 1 1 68 68 LYS H H 85 8.117 8.117 8.122 -0.005 18107 7535 1 17 . 1 1 69 69 PHE N N 86 117.969 117.969 118.665 -0.696 18107 7536 1 17 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.108 0.181 18107 7537 1 17 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.258 -0.389 18107 7538 1 17 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.600 0.155 18107 7539 1 17 . 1 1 69 69 PHE H H 86 7.975 7.975 8.110 -0.135 18107 7540 1 17 . 1 1 70 70 ASN N N 87 118.904 118.904 118.153 0.751 18107 7541 1 17 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.359 0.002 18107 7542 1 17 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.498 -0.230 18107 7543 1 17 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.686 -0.588 18107 7544 1 17 . 1 1 70 70 ASN H H 87 8.259 8.259 7.306 0.953 18107 7545 1 17 . 1 1 71 71 PHE N N 88 121.068 121.068 118.479 2.589 18107 7546 1 17 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.225 1.041 18107 7547 1 17 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.516 1.271 18107 7548 1 17 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.121 0.909 18107 7549 1 17 . 1 1 71 71 PHE H H 88 8.618 8.618 7.366 1.252 18107 7550 1 17 . 1 1 72 72 GLU N N 89 120.500 120.500 119.418 1.082 18107 7551 1 17 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.999 -0.146 18107 7552 1 17 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.535 0.962 18107 7553 1 17 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.160 0.351 18107 7554 1 17 . 1 1 72 72 GLU H H 89 8.709 8.709 8.713 -0.004 18107 7555 1 17 . 1 1 73 73 ALA N N 90 123.117 123.117 122.123 0.994 18107 7556 1 17 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.195 -0.157 18107 7557 1 17 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.927 0.074 18107 7558 1 17 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.133 -0.184 18107 7559 1 17 . 1 1 73 73 ALA H H 90 8.158 8.158 8.035 0.123 18107 7560 1 17 . 1 1 74 74 ALA N N 91 122.919 122.919 121.256 1.663 18107 7561 1 17 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.197 -0.246 18107 7562 1 17 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.584 0.695 18107 7563 1 17 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.384 -0.718 18107 7564 1 17 . 1 1 74 74 ALA H H 91 7.841 7.841 8.132 -0.291 18107 7565 1 17 . 1 1 75 75 LEU N N 92 119.956 119.956 119.799 0.157 18107 7566 1 17 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.160 -0.113 18107 7567 1 17 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.231 0.228 18107 7568 1 17 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.851 0.308 18107 7569 1 17 . 1 1 75 75 LEU H H 92 8.091 8.091 8.445 -0.354 18107 7570 1 17 . 1 1 76 76 ALA N N 93 120.763 120.763 120.934 -0.171 18107 7571 1 17 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.130 0.000 18107 7572 1 17 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.271 0.133 18107 7573 1 17 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.219 -0.349 18107 7574 1 17 . 1 1 76 76 ALA H H 93 7.774 7.774 7.897 -0.123 18107 7575 1 17 . 1 1 77 77 THR N N 94 117.510 117.510 115.822 1.688 18107 7576 1 17 . 1 1 77 77 THR HA H 94 4.234 4.234 4.031 0.203 18107 7577 1 17 . 1 1 77 77 THR CA C 94 67.364 67.364 67.216 0.148 18107 7578 1 17 . 1 1 77 77 THR CB C 94 68.779 68.779 68.939 -0.160 18107 7579 1 17 . 1 1 77 77 THR H H 94 8.188 8.188 7.820 0.368 18107 7580 1 17 . 1 1 78 78 GLY N N 95 110.009 110.009 109.380 0.629 18107 7581 1 17 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.650 1.500 18107 7582 1 17 . 1 1 78 78 GLY H H 95 8.547 8.547 8.825 -0.278 18107 7583 1 17 . 1 1 79 79 ASP N N 96 121.634 121.634 122.701 -1.067 18107 7584 1 17 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.431 -0.163 18107 7585 1 17 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.375 0.561 18107 7586 1 17 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.966 -0.326 18107 7587 1 17 . 1 1 79 79 ASP H H 96 8.548 8.548 8.112 0.436 18107 7588 1 17 . 1 1 80 80 LEU N N 97 122.599 122.599 119.590 3.009 18107 7589 1 17 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.071 -0.063 18107 7590 1 17 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.681 0.761 18107 7591 1 17 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.285 -0.356 18107 7592 1 17 . 1 1 80 80 LEU H H 97 7.618 7.618 7.665 -0.047 18107 7593 1 17 . 1 1 81 81 LEU N N 98 119.913 119.913 118.054 1.859 18107 7594 1 17 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.110 -0.079 18107 7595 1 17 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.154 -0.346 18107 7596 1 17 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.246 1.115 18107 7597 1 17 . 1 1 81 81 LEU H H 98 8.224 8.224 7.878 0.346 18107 7598 1 17 . 1 1 82 82 LEU N N 99 118.616 118.616 120.454 -1.838 18107 7599 1 17 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.856 0.119 18107 7600 1 17 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.952 0.117 18107 7601 1 17 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.599 0.566 18107 7602 1 17 . 1 1 82 82 LEU H H 99 8.359 8.359 8.582 -0.223 18107 7603 1 17 . 1 1 83 83 LYS N N 100 118.988 118.988 118.751 0.237 18107 7604 1 17 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.938 -0.054 18107 7605 1 17 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.096 0.171 18107 7606 1 17 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.104 0.067 18107 7607 1 17 . 1 1 83 83 LYS H H 100 7.566 7.566 7.780 -0.214 18107 7608 1 17 . 1 1 84 84 ASP N N 101 121.591 121.591 120.750 0.841 18107 7609 1 17 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.504 -0.107 18107 7610 1 17 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.696 1.000 18107 7611 1 17 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.782 -0.377 18107 7612 1 17 . 1 1 84 84 ASP H H 101 7.743 7.743 7.845 -0.102 18107 7613 1 17 . 1 1 85 85 LEU N N 102 123.215 123.215 120.325 2.890 18107 7614 1 17 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.873 -0.023 18107 7615 1 17 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.282 1.559 18107 7616 1 17 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.811 0.761 18107 7617 1 17 . 1 1 85 85 LEU H H 102 8.760 8.760 8.371 0.389 18107 7618 1 17 . 1 1 86 86 LYS N N 103 119.648 119.648 118.486 1.162 18107 7619 1 17 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.429 -0.361 18107 7620 1 17 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.161 -0.369 18107 7621 1 17 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.155 -1.023 18107 7622 1 17 . 1 1 86 86 LYS H H 103 8.883 8.883 7.814 1.069 18107 7623 1 17 . 1 1 87 87 ALA N N 104 122.844 122.844 121.993 0.851 18107 7624 1 17 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.209 -0.049 18107 7625 1 17 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.834 0.466 18107 7626 1 17 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.302 -0.282 18107 7627 1 17 . 1 1 87 87 ALA H H 104 7.721 7.721 7.640 0.081 18107 7628 1 17 . 1 1 88 88 LEU N N 105 120.380 120.380 118.814 1.566 18107 7629 1 17 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.008 -0.016 18107 7630 1 17 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.145 0.041 18107 7631 1 17 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.092 1.712 18107 7632 1 17 . 1 1 88 88 LEU H H 105 7.762 7.762 8.191 -0.429 18107 7633 1 17 . 1 1 89 89 GLN N N 106 118.781 118.781 119.392 -0.611 18107 7634 1 17 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.906 -0.321 18107 7635 1 17 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.487 0.490 18107 7636 1 17 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.470 1.157 18107 7637 1 17 . 1 1 89 89 GLN H H 106 8.658 8.658 7.960 0.698 18107 7638 1 17 . 1 1 90 90 LYS N N 107 118.977 118.977 118.912 0.065 18107 7639 1 17 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.134 -0.186 18107 7640 1 17 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.231 1.264 18107 7641 1 17 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.631 0.792 18107 7642 1 17 . 1 1 90 90 LYS H H 107 7.786 7.786 7.728 0.058 18107 7643 1 17 . 1 1 91 91 ARG N N 108 117.470 117.470 120.345 -2.875 18107 7644 1 17 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.108 -0.105 18107 7645 1 17 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.516 0.066 18107 7646 1 17 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.108 1.520 18107 7647 1 17 . 1 1 91 91 ARG H H 108 7.469 7.469 7.639 -0.170 18107 7648 1 17 . 1 1 92 92 VAL N N 109 117.865 117.865 120.440 -2.575 18107 7649 1 17 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.671 -0.189 18107 7650 1 17 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.673 -0.062 18107 7651 1 17 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.591 0.620 18107 7652 1 17 . 1 1 92 92 VAL H H 109 8.084 8.084 8.568 -0.484 18107 7653 1 17 . 1 1 93 93 GLN N N 110 119.617 119.617 117.654 1.963 18107 7654 1 17 . 1 1 93 93 GLN HA H 110 3.876 3.876 3.993 -0.117 18107 7655 1 17 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.701 0.533 18107 7656 1 17 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.612 0.412 18107 7657 1 17 . 1 1 93 93 GLN H H 110 8.512 8.512 8.330 0.182 18107 7658 1 17 . 1 1 94 94 ASP N N 111 117.490 117.490 116.888 0.602 18107 7659 1 17 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.570 -0.079 18107 7660 1 17 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.725 -0.444 18107 7661 1 17 . 1 1 94 94 ASP CB C 111 40.835 40.835 42.413 -1.579 18107 7662 1 17 . 1 1 94 94 ASP H H 111 8.194 8.194 7.785 0.409 18107 7663 1 17 . 1 1 95 95 SER N N 112 116.625 116.625 112.614 4.011 18107 7664 1 17 . 1 1 95 95 SER HA H 112 4.288 4.288 4.079 0.209 18107 7665 1 17 . 1 1 95 95 SER CA C 112 59.770 59.770 60.935 -1.165 18107 7666 1 17 . 1 1 95 95 SER CB C 112 63.990 63.990 61.388 2.602 18107 7667 1 17 . 1 1 95 95 SER H H 112 7.479 7.479 8.519 -1.040 18107 7668 1 18 . 1 1 2 2 THR HA H 19 4.222 4.222 4.220 0.002 18107 7669 1 18 . 1 1 2 2 THR CA C 19 63.013 63.013 64.872 -1.859 18107 7670 1 18 . 1 1 2 2 THR CB C 19 69.504 69.504 68.871 0.633 18107 7671 1 18 . 1 1 3 3 ALA N N 20 125.065 125.065 124.138 0.927 18107 7672 1 18 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.981 0.169 18107 7673 1 18 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.983 -0.027 18107 7674 1 18 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.423 0.574 18107 7675 1 18 . 1 1 3 3 ALA H H 20 8.404 8.404 8.459 -0.055 18107 7676 1 18 . 1 1 4 4 THR N N 21 109.840 109.840 111.181 -1.341 18107 7677 1 18 . 1 1 4 4 THR HA H 21 4.235 4.235 3.972 0.263 18107 7678 1 18 . 1 1 4 4 THR CA C 21 64.668 64.668 64.731 -0.063 18107 7679 1 18 . 1 1 4 4 THR CB C 21 68.923 68.923 68.088 0.835 18107 7680 1 18 . 1 1 4 4 THR H H 21 7.910 7.910 8.017 -0.107 18107 7681 1 18 . 1 1 5 5 GLN N N 22 122.037 122.037 120.102 1.935 18107 7682 1 18 . 1 1 5 5 GLN HA H 22 4.051 4.051 3.857 0.194 18107 7683 1 18 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.721 -0.557 18107 7684 1 18 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.482 0.075 18107 7685 1 18 . 1 1 5 5 GLN H H 22 7.953 7.953 7.534 0.419 18107 7686 1 18 . 1 1 6 6 ARG N N 23 118.944 118.944 119.611 -0.667 18107 7687 1 18 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.069 0.037 18107 7688 1 18 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.665 -0.573 18107 7689 1 18 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.454 -0.307 18107 7690 1 18 . 1 1 6 6 ARG H H 23 7.922 7.922 7.437 0.485 18107 7691 1 18 . 1 1 7 7 PHE N N 24 116.543 116.543 115.217 1.326 18107 7692 1 18 . 1 1 7 7 PHE H H 24 8.276 8.276 7.662 0.614 18107 7693 1 18 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.601 -0.106 18107 7694 1 18 . 1 1 8 8 HIS CA C 25 60.020 60.020 59.014 1.006 18107 7695 1 18 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.642 -0.590 18107 7696 1 18 . 1 1 9 9 GLU N N 26 118.298 118.298 120.001 -1.703 18107 7697 1 18 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.164 -0.174 18107 7698 1 18 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.862 -0.484 18107 7699 1 18 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.467 -0.155 18107 7700 1 18 . 1 1 9 9 GLU H H 26 8.148 8.148 8.586 -0.438 18107 7701 1 18 . 1 1 10 10 ILE N N 27 121.761 121.761 117.290 4.471 18107 7702 1 18 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.733 0.231 18107 7703 1 18 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.615 -0.152 18107 7704 1 18 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.690 0.560 18107 7705 1 18 . 1 1 10 10 ILE H H 27 8.165 8.165 8.095 0.070 18107 7706 1 18 . 1 1 11 11 GLU N N 28 122.042 122.042 121.155 0.887 18107 7707 1 18 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.984 -0.147 18107 7708 1 18 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.613 1.015 18107 7709 1 18 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.181 0.825 18107 7710 1 18 . 1 1 11 11 GLU H H 28 8.541 8.541 7.876 0.665 18107 7711 1 18 . 1 1 12 12 LYS N N 29 117.967 117.967 119.432 -1.465 18107 7712 1 18 . 1 1 12 12 LYS HA H 29 3.942 3.942 3.804 0.138 18107 7713 1 18 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.252 0.489 18107 7714 1 18 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.210 0.242 18107 7715 1 18 . 1 1 12 12 LYS H H 29 7.517 7.517 7.893 -0.376 18107 7716 1 18 . 1 1 13 13 PHE N N 30 122.144 122.144 119.693 2.451 18107 7717 1 18 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.264 0.165 18107 7718 1 18 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.565 0.222 18107 7719 1 18 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.652 0.559 18107 7720 1 18 . 1 1 13 13 PHE H H 30 8.066 8.066 7.948 0.118 18107 7721 1 18 . 1 1 14 14 LEU N N 31 119.404 119.404 119.572 -0.168 18107 7722 1 18 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.873 -0.139 18107 7723 1 18 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.889 -1.125 18107 7724 1 18 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.505 -0.069 18107 7725 1 18 . 1 1 14 14 LEU H H 31 8.739 8.739 7.829 0.910 18107 7726 1 18 . 1 1 15 15 LEU N N 32 121.073 121.073 118.382 2.691 18107 7727 1 18 . 1 1 15 15 LEU HA H 32 3.960 3.960 3.915 0.045 18107 7728 1 18 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.882 0.451 18107 7729 1 18 . 1 1 15 15 LEU CB C 32 41.962 41.962 40.853 1.109 18107 7730 1 18 . 1 1 15 15 LEU H H 32 7.736 7.736 7.372 0.364 18107 7731 1 18 . 1 1 16 16 HIS N N 33 118.629 118.629 117.071 1.558 18107 7732 1 18 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.288 0.058 18107 7733 1 18 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.922 0.723 18107 7734 1 18 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.823 0.478 18107 7735 1 18 . 1 1 16 16 HIS H H 33 7.681 7.681 7.558 0.123 18107 7736 1 18 . 1 1 17 17 ILE N N 34 118.602 118.602 120.821 -2.219 18107 7737 1 18 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.684 0.121 18107 7738 1 18 . 1 1 17 17 ILE CA C 34 63.507 63.507 65.149 -1.642 18107 7739 1 18 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.135 -0.690 18107 7740 1 18 . 1 1 17 17 ILE H H 34 8.502 8.502 8.648 -0.146 18107 7741 1 18 . 1 1 18 18 THR N N 35 117.776 117.776 116.234 1.542 18107 7742 1 18 . 1 1 18 18 THR HA H 35 4.116 4.116 3.891 0.225 18107 7743 1 18 . 1 1 18 18 THR CA C 35 68.694 68.694 67.343 1.351 18107 7744 1 18 . 1 1 18 18 THR CB C 35 68.694 68.694 68.683 0.011 18107 7745 1 18 . 1 1 18 18 THR H H 35 7.726 7.726 7.815 -0.089 18107 7746 1 18 . 1 1 19 19 HIS N N 36 118.130 118.130 120.475 -2.345 18107 7747 1 18 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.289 0.112 18107 7748 1 18 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.998 -0.212 18107 7749 1 18 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.627 -0.557 18107 7750 1 18 . 1 1 19 19 HIS H H 36 7.177 7.177 7.949 -0.772 18107 7751 1 18 . 1 1 20 20 GLU N N 37 119.301 119.301 118.365 0.936 18107 7752 1 18 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.062 -0.012 18107 7753 1 18 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.413 0.144 18107 7754 1 18 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.632 0.424 18107 7755 1 18 . 1 1 20 20 GLU H H 37 7.335 7.335 7.975 -0.640 18107 7756 1 18 . 1 1 21 21 VAL N N 38 122.744 122.744 120.088 2.656 18107 7757 1 18 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.679 -0.257 18107 7758 1 18 . 1 1 21 21 VAL CA C 38 67.049 67.049 65.983 1.066 18107 7759 1 18 . 1 1 21 21 VAL CB C 38 31.373 31.373 30.887 0.486 18107 7760 1 18 . 1 1 21 21 VAL H H 38 8.385 8.385 7.785 0.600 18107 7761 1 18 . 1 1 22 22 ASP N N 39 120.471 120.471 120.150 0.321 18107 7762 1 18 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.342 -0.195 18107 7763 1 18 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.884 -0.158 18107 7764 1 18 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.691 -0.304 18107 7765 1 18 . 1 1 22 22 ASP H H 39 8.054 8.054 7.812 0.242 18107 7766 1 18 . 1 1 23 23 ASP N N 40 118.541 118.541 120.511 -1.970 18107 7767 1 18 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.372 0.048 18107 7768 1 18 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.655 -0.168 18107 7769 1 18 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.050 0.124 18107 7770 1 18 . 1 1 23 23 ASP H H 40 7.587 7.587 7.647 -0.060 18107 7771 1 18 . 1 1 24 24 LEU N N 41 123.241 123.241 117.599 5.642 18107 7772 1 18 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.242 -0.074 18107 7773 1 18 . 1 1 24 24 LEU CA C 41 57.707 57.707 57.799 -0.092 18107 7774 1 18 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.453 0.456 18107 7775 1 18 . 1 1 24 24 LEU H H 41 8.032 8.032 8.260 -0.228 18107 7776 1 18 . 1 1 25 25 GLU N N 42 117.508 117.508 118.014 -0.506 18107 7777 1 18 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.282 -0.361 18107 7778 1 18 . 1 1 25 25 GLU CA C 42 59.082 59.082 58.555 0.527 18107 7779 1 18 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.617 0.246 18107 7780 1 18 . 1 1 25 25 GLU H H 42 8.010 8.010 8.384 -0.374 18107 7781 1 18 . 1 1 26 26 LYS N N 43 117.032 117.032 118.313 -1.281 18107 7782 1 18 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.136 0.107 18107 7783 1 18 . 1 1 26 26 LYS CA C 43 58.251 58.251 58.228 0.023 18107 7784 1 18 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.466 1.041 18107 7785 1 18 . 1 1 26 26 LYS H H 43 7.596 7.596 7.551 0.045 18107 7786 1 18 . 1 1 27 27 THR N N 44 110.288 110.288 111.674 -1.386 18107 7787 1 18 . 1 1 27 27 THR HA H 44 4.271 4.271 4.296 -0.025 18107 7788 1 18 . 1 1 27 27 THR CA C 44 62.820 62.820 64.379 -1.559 18107 7789 1 18 . 1 1 27 27 THR CB C 44 70.733 70.733 70.186 0.547 18107 7790 1 18 . 1 1 27 27 THR H H 44 8.227 8.227 7.619 0.608 18107 7791 1 18 . 1 1 28 28 GLY N N 45 112.257 112.257 106.778 5.479 18107 7792 1 18 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.373 1.288 18107 7793 1 18 . 1 1 28 28 GLY H H 45 8.727 8.727 7.867 0.860 18107 7794 1 18 . 1 1 29 29 ASN N N 46 118.416 118.416 119.327 -0.911 18107 7795 1 18 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.269 0.200 18107 7796 1 18 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.819 0.478 18107 7797 1 18 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.314 2.796 18107 7798 1 18 . 1 1 29 29 ASN H H 46 7.716 7.716 8.359 -0.643 18107 7799 1 18 . 1 1 30 30 LYS N N 47 126.481 126.481 119.390 7.091 18107 7800 1 18 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.080 -0.092 18107 7801 1 18 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.769 0.422 18107 7802 1 18 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.480 0.033 18107 7803 1 18 . 1 1 30 30 LYS H H 47 8.770 8.770 8.405 0.365 18107 7804 1 18 . 1 1 31 31 ASP N N 48 121.710 121.710 114.778 6.932 18107 7805 1 18 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.757 -0.290 18107 7806 1 18 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.392 3.243 18107 7807 1 18 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.181 -0.737 18107 7808 1 18 . 1 1 31 31 ASP H H 48 8.229 8.229 7.981 0.248 18107 7809 1 18 . 1 1 32 32 GLU N N 49 121.695 121.695 120.987 0.708 18107 7810 1 18 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.097 0.260 18107 7811 1 18 . 1 1 32 32 GLU H H 49 8.048 8.048 8.560 -0.512 18107 7812 1 18 . 1 1 33 33 LYS N N 50 120.099 120.099 119.125 0.974 18107 7813 1 18 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.899 -0.248 18107 7814 1 18 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.604 0.233 18107 7815 1 18 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.042 0.925 18107 7816 1 18 . 1 1 33 33 LYS H H 50 7.975 7.975 8.551 -0.576 18107 7817 1 18 . 1 1 34 34 ALA N N 51 118.238 118.238 119.492 -1.254 18107 7818 1 18 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.007 -0.018 18107 7819 1 18 . 1 1 34 34 ALA CA C 51 55.393 55.393 54.930 0.463 18107 7820 1 18 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.447 -0.235 18107 7821 1 18 . 1 1 34 34 ALA H H 51 7.614 7.614 8.394 -0.780 18107 7822 1 18 . 1 1 35 35 ARG N N 52 120.311 120.311 119.043 1.268 18107 7823 1 18 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.049 1.842 18107 7824 1 18 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.580 0.470 18107 7825 1 18 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.419 -0.008 18107 7826 1 18 . 1 1 35 35 ARG H H 52 7.883 7.883 7.725 0.158 18107 7827 1 18 . 1 1 36 36 LEU N N 53 119.541 119.541 119.318 0.223 18107 7828 1 18 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.133 -0.187 18107 7829 1 18 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.402 0.087 18107 7830 1 18 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.327 1.115 18107 7831 1 18 . 1 1 36 36 LEU H H 53 8.553 8.553 8.621 -0.068 18107 7832 1 18 . 1 1 37 37 LEU N N 54 117.789 117.789 120.267 -2.478 18107 7833 1 18 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.881 0.184 18107 7834 1 18 . 1 1 37 37 LEU CA C 54 58.642 58.642 57.941 0.701 18107 7835 1 18 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.270 0.049 18107 7836 1 18 . 1 1 37 37 LEU H H 54 8.341 8.341 7.993 0.348 18107 7837 1 18 . 1 1 38 38 ARG N N 55 121.176 121.176 118.481 2.695 18107 7838 1 18 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.080 -0.012 18107 7839 1 18 . 1 1 38 38 ARG CA C 55 60.325 60.325 57.934 2.391 18107 7840 1 18 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.183 0.887 18107 7841 1 18 . 1 1 38 38 ARG H H 55 7.864 7.864 7.831 0.033 18107 7842 1 18 . 1 1 39 39 GLU N N 56 119.256 119.256 120.633 -1.377 18107 7843 1 18 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.138 -0.078 18107 7844 1 18 . 1 1 39 39 GLU CA C 56 59.894 59.894 60.077 -0.183 18107 7845 1 18 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.490 0.411 18107 7846 1 18 . 1 1 39 39 GLU H H 56 8.390 8.390 7.715 0.675 18107 7847 1 18 . 1 1 40 40 LEU N N 57 120.312 120.312 118.332 1.980 18107 7848 1 18 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.521 -0.393 18107 7849 1 18 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.849 0.772 18107 7850 1 18 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.532 0.697 18107 7851 1 18 . 1 1 40 40 LEU H H 57 8.802 8.802 8.147 0.655 18107 7852 1 18 . 1 1 41 41 THR N N 58 117.791 117.791 117.352 0.439 18107 7853 1 18 . 1 1 41 41 THR HA H 58 4.341 4.341 4.130 0.211 18107 7854 1 18 . 1 1 41 41 THR CA C 58 67.542 67.542 66.399 1.143 18107 7855 1 18 . 1 1 41 41 THR CB C 58 69.157 69.157 68.335 0.822 18107 7856 1 18 . 1 1 41 41 THR H H 58 8.182 8.182 8.230 -0.048 18107 7857 1 18 . 1 1 42 42 VAL N N 59 123.554 123.554 120.442 3.112 18107 7858 1 18 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.551 0.172 18107 7859 1 18 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.495 0.360 18107 7860 1 18 . 1 1 42 42 VAL H H 59 7.978 7.978 8.292 -0.314 18107 7861 1 18 . 1 1 43 43 SER N N 60 116.859 116.859 114.324 2.535 18107 7862 1 18 . 1 1 43 43 SER HA H 60 4.155 4.155 1.948 2.207 18107 7863 1 18 . 1 1 43 43 SER CA C 60 63.412 63.412 60.717 2.695 18107 7864 1 18 . 1 1 43 43 SER H H 60 7.715 7.715 7.718 -0.003 18107 7865 1 18 . 1 1 44 44 GLU N N 61 124.072 124.072 121.258 2.814 18107 7866 1 18 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.813 -0.187 18107 7867 1 18 . 1 1 44 44 GLU CA C 61 60.502 60.502 58.867 1.635 18107 7868 1 18 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.510 0.284 18107 7869 1 18 . 1 1 44 44 GLU H H 61 8.517 8.517 8.208 0.309 18107 7870 1 18 . 1 1 45 45 ALA N N 62 120.467 120.467 122.273 -1.806 18107 7871 1 18 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.094 0.055 18107 7872 1 18 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.806 0.420 18107 7873 1 18 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.527 -0.682 18107 7874 1 18 . 1 1 45 45 ALA H H 62 7.853 7.853 7.512 0.341 18107 7875 1 18 . 1 1 46 46 PHE N N 63 119.936 119.936 117.042 2.894 18107 7876 1 18 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.251 0.014 18107 7877 1 18 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.737 2.799 18107 7878 1 18 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.594 1.598 18107 7879 1 18 . 1 1 46 46 PHE H H 63 7.946 7.946 7.080 0.866 18107 7880 1 18 . 1 1 47 47 ILE N N 64 122.630 122.630 120.413 2.217 18107 7881 1 18 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.673 -0.053 18107 7882 1 18 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.495 1.863 18107 7883 1 18 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.969 1.412 18107 7884 1 18 . 1 1 47 47 ILE H H 64 8.595 8.595 8.123 0.472 18107 7885 1 18 . 1 1 48 48 GLU N N 65 120.257 120.257 119.270 0.987 18107 7886 1 18 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.006 0.583 18107 7887 1 18 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.827 -0.471 18107 7888 1 18 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.336 0.265 18107 7889 1 18 . 1 1 48 48 GLU H H 65 9.078 9.078 8.103 0.975 18107 7890 1 18 . 1 1 49 49 GLY N N 66 108.368 108.368 107.352 1.016 18107 7891 1 18 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.804 0.349 18107 7892 1 18 . 1 1 49 49 GLY H H 66 8.379 8.379 8.221 0.158 18107 7893 1 18 . 1 1 50 50 SER N N 67 119.358 119.358 118.107 1.251 18107 7894 1 18 . 1 1 50 50 SER HA H 67 3.988 3.988 4.071 -0.083 18107 7895 1 18 . 1 1 50 50 SER CA C 67 62.501 62.501 61.771 0.730 18107 7896 1 18 . 1 1 50 50 SER CB C 67 63.441 63.441 63.000 0.441 18107 7897 1 18 . 1 1 50 50 SER H H 67 7.694 7.694 8.146 -0.452 18107 7898 1 18 . 1 1 51 51 ARG N N 68 121.212 121.212 121.293 -0.081 18107 7899 1 18 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.133 -0.225 18107 7900 1 18 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.674 1.367 18107 7901 1 18 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.231 0.526 18107 7902 1 18 . 1 1 51 51 ARG H H 68 8.684 8.684 7.871 0.813 18107 7903 1 18 . 1 1 52 52 GLY N N 69 124.556 124.556 106.461 18.095 18107 7904 1 18 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.782 0.481 18107 7905 1 18 . 1 1 52 52 GLY H H 69 8.068 8.068 8.049 0.019 18107 7906 1 18 . 1 1 53 53 TYR N N 70 123.123 123.123 123.342 -0.219 18107 7907 1 18 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.094 -0.025 18107 7908 1 18 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.603 -0.783 18107 7909 1 18 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.499 -0.752 18107 7910 1 18 . 1 1 53 53 TYR H H 70 7.337 7.337 7.569 -0.232 18107 7911 1 18 . 1 1 54 54 PHE N N 71 117.809 117.809 117.751 0.058 18107 7912 1 18 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.908 -0.241 18107 7913 1 18 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.467 0.022 18107 7914 1 18 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.946 0.803 18107 7915 1 18 . 1 1 54 54 PHE H H 71 7.965 7.965 7.498 0.467 18107 7916 1 18 . 1 1 55 55 GLN N N 72 115.519 115.519 118.473 -2.954 18107 7917 1 18 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.069 -0.211 18107 7918 1 18 . 1 1 55 55 GLN CA C 72 59.608 59.608 59.207 0.401 18107 7919 1 18 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.675 0.321 18107 7920 1 18 . 1 1 55 55 GLN H H 72 8.522 8.522 7.854 0.668 18107 7921 1 18 . 1 1 56 56 ARG N N 73 118.947 118.947 118.060 0.887 18107 7922 1 18 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.085 -0.213 18107 7923 1 18 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.786 1.135 18107 7924 1 18 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.674 0.412 18107 7925 1 18 . 1 1 56 56 ARG H H 73 7.677 7.677 7.648 0.029 18107 7926 1 18 . 1 1 57 57 GLU N N 74 121.204 121.204 120.709 0.495 18107 7927 1 18 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.980 -0.298 18107 7928 1 18 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.076 -0.142 18107 7929 1 18 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.794 0.899 18107 7930 1 18 . 1 1 57 57 GLU H H 74 7.897 7.897 7.925 -0.028 18107 7931 1 18 . 1 1 58 58 LEU N N 75 115.348 115.348 119.024 -3.676 18107 7932 1 18 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.171 -0.111 18107 7933 1 18 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.522 -0.628 18107 7934 1 18 . 1 1 58 58 LEU CB C 75 42.330 42.330 41.995 0.335 18107 7935 1 18 . 1 1 58 58 LEU H H 75 7.746 7.746 7.784 -0.038 18107 7936 1 18 . 1 1 59 59 LYS N N 76 117.429 117.429 115.997 1.432 18107 7937 1 18 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.353 -0.153 18107 7938 1 18 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.629 0.979 18107 7939 1 18 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.373 0.510 18107 7940 1 18 . 1 1 59 59 LYS H H 76 7.233 7.233 7.689 -0.456 18107 7941 1 18 . 1 1 60 60 ARG N N 77 120.555 120.555 121.151 -0.596 18107 7942 1 18 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.091 0.035 18107 7943 1 18 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.734 -1.035 18107 7944 1 18 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.213 1.585 18107 7945 1 18 . 1 1 60 60 ARG H H 77 7.701 7.701 8.017 -0.316 18107 7946 1 18 . 1 1 61 61 THR N N 78 111.768 111.768 107.710 4.058 18107 7947 1 18 . 1 1 61 61 THR HA H 78 4.414 4.414 4.087 0.327 18107 7948 1 18 . 1 1 61 61 THR CA C 78 62.557 62.557 64.471 -1.914 18107 7949 1 18 . 1 1 61 61 THR CB C 78 69.221 69.221 67.341 1.880 18107 7950 1 18 . 1 1 61 61 THR H H 78 8.638 8.638 8.332 0.306 18107 7951 1 18 . 1 1 62 62 ASP N N 79 120.616 120.616 120.453 0.163 18107 7952 1 18 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.822 -0.190 18107 7953 1 18 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.422 -1.460 18107 7954 1 18 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.347 -1.101 18107 7955 1 18 . 1 1 62 62 ASP H H 79 8.465 8.465 8.704 -0.239 18107 7956 1 18 . 1 1 63 63 LEU N N 80 120.063 120.063 117.548 2.515 18107 7957 1 18 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.789 -0.544 18107 7958 1 18 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.887 1.325 18107 7959 1 18 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.550 -1.755 18107 7960 1 18 . 1 1 63 63 LEU H H 80 7.157 7.157 7.448 -0.291 18107 7961 1 18 . 1 1 64 64 ASP N N 81 125.396 125.396 122.012 3.384 18107 7962 1 18 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.966 -0.397 18107 7963 1 18 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.246 0.731 18107 7964 1 18 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.218 -0.418 18107 7965 1 18 . 1 1 64 64 ASP H H 81 8.926 8.926 8.198 0.728 18107 7966 1 18 . 1 1 65 65 LEU N N 82 122.508 122.508 120.375 2.133 18107 7967 1 18 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.399 -0.561 18107 7968 1 18 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.881 0.940 18107 7969 1 18 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.708 0.487 18107 7970 1 18 . 1 1 65 65 LEU H H 82 8.281 8.281 8.266 0.015 18107 7971 1 18 . 1 1 66 66 LEU N N 83 119.413 119.413 120.376 -0.963 18107 7972 1 18 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.107 -0.035 18107 7973 1 18 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.165 -0.137 18107 7974 1 18 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.361 0.990 18107 7975 1 18 . 1 1 66 66 LEU H H 83 8.149 8.149 8.140 0.009 18107 7976 1 18 . 1 1 67 67 GLU N N 84 119.941 119.941 117.940 2.001 18107 7977 1 18 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.754 0.092 18107 7978 1 18 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.229 -0.706 18107 7979 1 18 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.090 1.122 18107 7980 1 18 . 1 1 67 67 GLU H H 84 7.725 7.725 8.578 -0.853 18107 7981 1 18 . 1 1 68 68 LYS N N 85 119.400 119.400 119.600 -0.200 18107 7982 1 18 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.857 -0.056 18107 7983 1 18 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.248 1.572 18107 7984 1 18 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.304 0.611 18107 7985 1 18 . 1 1 68 68 LYS H H 85 8.117 8.117 8.169 -0.052 18107 7986 1 18 . 1 1 69 69 PHE N N 86 117.969 117.969 119.390 -1.421 18107 7987 1 18 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.105 0.184 18107 7988 1 18 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.934 -1.065 18107 7989 1 18 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.789 -0.035 18107 7990 1 18 . 1 1 69 69 PHE H H 86 7.975 7.975 8.133 -0.158 18107 7991 1 18 . 1 1 70 70 ASN N N 87 118.904 118.904 118.381 0.523 18107 7992 1 18 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.371 -0.010 18107 7993 1 18 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.505 -0.237 18107 7994 1 18 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.663 -0.565 18107 7995 1 18 . 1 1 70 70 ASN H H 87 8.259 8.259 7.275 0.984 18107 7996 1 18 . 1 1 71 71 PHE N N 88 121.068 121.068 118.476 2.592 18107 7997 1 18 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.346 0.920 18107 7998 1 18 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.595 1.192 18107 7999 1 18 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.097 0.932 18107 8000 1 18 . 1 1 71 71 PHE H H 88 8.618 8.618 7.352 1.266 18107 8001 1 18 . 1 1 72 72 GLU N N 89 120.500 120.500 119.373 1.127 18107 8002 1 18 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.922 -0.069 18107 8003 1 18 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.429 1.068 18107 8004 1 18 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.030 0.481 18107 8005 1 18 . 1 1 72 72 GLU H H 89 8.709 8.709 8.677 0.032 18107 8006 1 18 . 1 1 73 73 ALA N N 90 123.117 123.117 122.055 1.062 18107 8007 1 18 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.105 -0.067 18107 8008 1 18 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.850 0.151 18107 8009 1 18 . 1 1 73 73 ALA CB C 90 17.948 17.948 18.096 -0.148 18107 8010 1 18 . 1 1 73 73 ALA H H 90 8.158 8.158 7.949 0.209 18107 8011 1 18 . 1 1 74 74 ALA N N 91 122.919 122.919 121.175 1.744 18107 8012 1 18 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.200 -0.249 18107 8013 1 18 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.613 0.666 18107 8014 1 18 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.390 -0.724 18107 8015 1 18 . 1 1 74 74 ALA H H 91 7.841 7.841 8.121 -0.280 18107 8016 1 18 . 1 1 75 75 LEU N N 92 119.956 119.956 119.757 0.199 18107 8017 1 18 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.120 -0.073 18107 8018 1 18 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.245 0.214 18107 8019 1 18 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.801 0.358 18107 8020 1 18 . 1 1 75 75 LEU H H 92 8.091 8.091 8.371 -0.280 18107 8021 1 18 . 1 1 76 76 ALA N N 93 120.763 120.763 120.934 -0.171 18107 8022 1 18 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.112 0.018 18107 8023 1 18 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.322 0.082 18107 8024 1 18 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.147 -0.277 18107 8025 1 18 . 1 1 76 76 ALA H H 93 7.774 7.774 7.932 -0.158 18107 8026 1 18 . 1 1 77 77 THR N N 94 117.510 117.510 116.802 0.708 18107 8027 1 18 . 1 1 77 77 THR HA H 94 4.234 4.234 4.041 0.193 18107 8028 1 18 . 1 1 77 77 THR CA C 94 67.364 67.364 68.137 -0.773 18107 8029 1 18 . 1 1 77 77 THR CB C 94 68.779 68.779 68.721 0.058 18107 8030 1 18 . 1 1 77 77 THR H H 94 8.188 8.188 7.853 0.335 18107 8031 1 18 . 1 1 78 78 GLY N N 95 110.009 110.009 109.494 0.515 18107 8032 1 18 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.561 1.589 18107 8033 1 18 . 1 1 78 78 GLY H H 95 8.547 8.547 8.795 -0.248 18107 8034 1 18 . 1 1 79 79 ASP N N 96 121.634 121.634 122.610 -0.976 18107 8035 1 18 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.426 -0.158 18107 8036 1 18 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.791 1.145 18107 8037 1 18 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.724 -0.084 18107 8038 1 18 . 1 1 79 79 ASP H H 96 8.548 8.548 8.088 0.460 18107 8039 1 18 . 1 1 80 80 LEU N N 97 122.599 122.599 119.592 3.007 18107 8040 1 18 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.045 -0.037 18107 8041 1 18 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.676 0.766 18107 8042 1 18 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.237 -0.308 18107 8043 1 18 . 1 1 80 80 LEU H H 97 7.618 7.618 7.607 0.011 18107 8044 1 18 . 1 1 81 81 LEU N N 98 119.913 119.913 118.296 1.617 18107 8045 1 18 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.250 -0.219 18107 8046 1 18 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.872 -0.064 18107 8047 1 18 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.289 1.072 18107 8048 1 18 . 1 1 81 81 LEU H H 98 8.224 8.224 7.901 0.323 18107 8049 1 18 . 1 1 82 82 LEU N N 99 118.616 118.616 120.695 -2.079 18107 8050 1 18 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.836 0.139 18107 8051 1 18 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.952 0.117 18107 8052 1 18 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.624 0.541 18107 8053 1 18 . 1 1 82 82 LEU H H 99 8.359 8.359 8.552 -0.193 18107 8054 1 18 . 1 1 83 83 LYS N N 100 118.988 118.988 118.691 0.297 18107 8055 1 18 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.944 -0.060 18107 8056 1 18 . 1 1 83 83 LYS CA C 100 60.267 60.267 60.089 0.178 18107 8057 1 18 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.091 0.080 18107 8058 1 18 . 1 1 83 83 LYS H H 100 7.566 7.566 7.766 -0.200 18107 8059 1 18 . 1 1 84 84 ASP N N 101 121.591 121.591 120.651 0.940 18107 8060 1 18 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.478 -0.081 18107 8061 1 18 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.415 1.281 18107 8062 1 18 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.700 -0.295 18107 8063 1 18 . 1 1 84 84 ASP H H 101 7.743 7.743 7.888 -0.145 18107 8064 1 18 . 1 1 85 85 LEU N N 102 123.215 123.215 120.403 2.812 18107 8065 1 18 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.895 -0.045 18107 8066 1 18 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.370 1.471 18107 8067 1 18 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.819 0.753 18107 8068 1 18 . 1 1 85 85 LEU H H 102 8.760 8.760 8.309 0.451 18107 8069 1 18 . 1 1 86 86 LYS N N 103 119.648 119.648 117.898 1.750 18107 8070 1 18 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.056 0.012 18107 8071 1 18 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.758 0.034 18107 8072 1 18 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.202 -0.070 18107 8073 1 18 . 1 1 86 86 LYS H H 103 8.883 8.883 7.795 1.088 18107 8074 1 18 . 1 1 87 87 ALA N N 104 122.844 122.844 121.763 1.081 18107 8075 1 18 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.206 -0.046 18107 8076 1 18 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.686 0.614 18107 8077 1 18 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.182 -0.162 18107 8078 1 18 . 1 1 87 87 ALA H H 104 7.721 7.721 7.709 0.012 18107 8079 1 18 . 1 1 88 88 LEU N N 105 120.380 120.380 118.904 1.476 18107 8080 1 18 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.002 -0.010 18107 8081 1 18 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.246 -0.060 18107 8082 1 18 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.076 1.728 18107 8083 1 18 . 1 1 88 88 LEU H H 105 7.762 7.762 8.050 -0.288 18107 8084 1 18 . 1 1 89 89 GLN N N 106 118.781 118.781 119.729 -0.948 18107 8085 1 18 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.912 -0.327 18107 8086 1 18 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.603 0.374 18107 8087 1 18 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.533 1.094 18107 8088 1 18 . 1 1 89 89 GLN H H 106 8.658 8.658 8.048 0.610 18107 8089 1 18 . 1 1 90 90 LYS N N 107 118.977 118.977 119.701 -0.724 18107 8090 1 18 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.075 -0.127 18107 8091 1 18 . 1 1 90 90 LYS CA C 107 59.495 59.495 59.498 -0.003 18107 8092 1 18 . 1 1 90 90 LYS CB C 107 32.423 32.423 32.090 0.333 18107 8093 1 18 . 1 1 90 90 LYS H H 107 7.786 7.786 7.712 0.074 18107 8094 1 18 . 1 1 91 91 ARG N N 108 117.470 117.470 120.342 -2.872 18107 8095 1 18 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.066 -0.063 18107 8096 1 18 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.463 0.119 18107 8097 1 18 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.370 1.258 18107 8098 1 18 . 1 1 91 91 ARG H H 108 7.469 7.469 7.704 -0.235 18107 8099 1 18 . 1 1 92 92 VAL N N 109 117.865 117.865 120.134 -2.269 18107 8100 1 18 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.675 -0.193 18107 8101 1 18 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.097 0.514 18107 8102 1 18 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.617 0.594 18107 8103 1 18 . 1 1 92 92 VAL H H 109 8.084 8.084 8.524 -0.440 18107 8104 1 18 . 1 1 93 93 GLN N N 110 119.617 119.617 118.135 1.482 18107 8105 1 18 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.060 -0.184 18107 8106 1 18 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.707 0.527 18107 8107 1 18 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.594 0.430 18107 8108 1 18 . 1 1 93 93 GLN H H 110 8.512 8.512 8.396 0.116 18107 8109 1 18 . 1 1 94 94 ASP N N 111 117.490 117.490 119.122 -1.632 18107 8110 1 18 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.653 -0.162 18107 8111 1 18 . 1 1 94 94 ASP CA C 111 55.281 55.281 55.602 -0.321 18107 8112 1 18 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.701 0.134 18107 8113 1 18 . 1 1 94 94 ASP H H 111 8.194 8.194 8.213 -0.019 18107 8114 1 18 . 1 1 95 95 SER N N 112 116.625 116.625 114.830 1.795 18107 8115 1 18 . 1 1 95 95 SER HA H 112 4.288 4.288 4.252 0.036 18107 8116 1 18 . 1 1 95 95 SER CA C 112 59.770 59.770 60.987 -1.217 18107 8117 1 18 . 1 1 95 95 SER CB C 112 63.990 63.990 63.444 0.546 18107 8118 1 18 . 1 1 95 95 SER H H 112 7.479 7.479 7.764 -0.285 18107 8119 1 19 . 1 1 2 2 THR HA H 19 4.222 4.222 3.998 0.224 18107 8120 1 19 . 1 1 2 2 THR CA C 19 63.013 63.013 65.591 -2.578 18107 8121 1 19 . 1 1 2 2 THR CB C 19 69.504 69.504 68.931 0.573 18107 8122 1 19 . 1 1 3 3 ALA N N 20 125.065 125.065 122.561 2.504 18107 8123 1 19 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.946 0.204 18107 8124 1 19 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.959 -0.002 18107 8125 1 19 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.052 0.945 18107 8126 1 19 . 1 1 3 3 ALA H H 20 8.404 8.404 7.889 0.515 18107 8127 1 19 . 1 1 4 4 THR N N 21 109.840 109.840 110.531 -0.691 18107 8128 1 19 . 1 1 4 4 THR HA H 21 4.235 4.235 3.901 0.334 18107 8129 1 19 . 1 1 4 4 THR CA C 21 64.668 64.668 64.802 -0.134 18107 8130 1 19 . 1 1 4 4 THR CB C 21 68.923 68.923 67.780 1.143 18107 8131 1 19 . 1 1 4 4 THR H H 21 7.910 7.910 8.533 -0.623 18107 8132 1 19 . 1 1 5 5 GLN N N 22 122.037 122.037 120.934 1.103 18107 8133 1 19 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.079 -0.028 18107 8134 1 19 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.529 -0.365 18107 8135 1 19 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.463 0.094 18107 8136 1 19 . 1 1 5 5 GLN H H 22 7.953 7.953 8.189 -0.236 18107 8137 1 19 . 1 1 6 6 ARG N N 23 118.944 118.944 118.768 0.176 18107 8138 1 19 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.124 -0.018 18107 8139 1 19 . 1 1 6 6 ARG CA C 23 58.092 58.092 57.982 0.110 18107 8140 1 19 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.544 -0.397 18107 8141 1 19 . 1 1 6 6 ARG H H 23 7.922 7.922 7.422 0.500 18107 8142 1 19 . 1 1 7 7 PHE N N 24 116.543 116.543 115.863 0.680 18107 8143 1 19 . 1 1 7 7 PHE H H 24 8.276 8.276 7.650 0.626 18107 8144 1 19 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.635 -0.140 18107 8145 1 19 . 1 1 8 8 HIS CA C 25 60.020 60.020 57.669 2.351 18107 8146 1 19 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.469 -1.417 18107 8147 1 19 . 1 1 9 9 GLU N N 26 118.298 118.298 118.892 -0.594 18107 8148 1 19 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.091 -0.101 18107 8149 1 19 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.804 -0.426 18107 8150 1 19 . 1 1 9 9 GLU CB C 26 29.312 29.312 28.823 0.489 18107 8151 1 19 . 1 1 9 9 GLU H H 26 8.148 8.148 9.061 -0.913 18107 8152 1 19 . 1 1 10 10 ILE N N 27 121.761 121.761 120.185 1.576 18107 8153 1 19 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.812 0.152 18107 8154 1 19 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.993 -1.530 18107 8155 1 19 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.616 -0.366 18107 8156 1 19 . 1 1 10 10 ILE H H 27 8.165 8.165 7.821 0.344 18107 8157 1 19 . 1 1 11 11 GLU N N 28 122.042 122.042 120.756 1.286 18107 8158 1 19 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.924 -0.087 18107 8159 1 19 . 1 1 11 11 GLU CA C 28 60.628 60.628 59.868 0.760 18107 8160 1 19 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.693 0.313 18107 8161 1 19 . 1 1 11 11 GLU H H 28 8.541 8.541 8.106 0.435 18107 8162 1 19 . 1 1 12 12 LYS N N 29 117.967 117.967 118.513 -0.546 18107 8163 1 19 . 1 1 12 12 LYS HA H 29 3.942 3.942 3.816 0.126 18107 8164 1 19 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.084 0.658 18107 8165 1 19 . 1 1 12 12 LYS CB C 29 32.452 32.452 31.892 0.559 18107 8166 1 19 . 1 1 12 12 LYS H H 29 7.517 7.517 8.474 -0.957 18107 8167 1 19 . 1 1 13 13 PHE N N 30 122.144 122.144 119.897 2.247 18107 8168 1 19 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.285 0.144 18107 8169 1 19 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.521 0.266 18107 8170 1 19 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.977 0.234 18107 8171 1 19 . 1 1 13 13 PHE H H 30 8.066 8.066 7.818 0.248 18107 8172 1 19 . 1 1 14 14 LEU N N 31 119.404 119.404 117.727 1.677 18107 8173 1 19 . 1 1 14 14 LEU HA H 31 3.734 3.734 4.009 -0.275 18107 8174 1 19 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.371 -0.607 18107 8175 1 19 . 1 1 14 14 LEU CB C 31 41.436 41.436 40.779 0.657 18107 8176 1 19 . 1 1 14 14 LEU H H 31 8.739 8.739 8.407 0.332 18107 8177 1 19 . 1 1 15 15 LEU N N 32 121.073 121.073 119.221 1.852 18107 8178 1 19 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.045 -0.085 18107 8179 1 19 . 1 1 15 15 LEU CA C 32 58.332 58.332 57.956 0.376 18107 8180 1 19 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.214 0.748 18107 8181 1 19 . 1 1 15 15 LEU H H 32 7.736 7.736 7.403 0.333 18107 8182 1 19 . 1 1 16 16 HIS N N 33 118.629 118.629 117.862 0.767 18107 8183 1 19 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.333 0.013 18107 8184 1 19 . 1 1 16 16 HIS CA C 33 59.645 59.645 57.766 1.879 18107 8185 1 19 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.426 0.875 18107 8186 1 19 . 1 1 16 16 HIS H H 33 7.681 7.681 7.449 0.232 18107 8187 1 19 . 1 1 17 17 ILE N N 34 118.602 118.602 121.097 -2.495 18107 8188 1 19 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.775 0.030 18107 8189 1 19 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.752 -1.245 18107 8190 1 19 . 1 1 17 17 ILE CB C 34 37.445 37.445 37.993 -0.548 18107 8191 1 19 . 1 1 17 17 ILE H H 34 8.502 8.502 8.674 -0.172 18107 8192 1 19 . 1 1 18 18 THR N N 35 117.776 117.776 116.036 1.740 18107 8193 1 19 . 1 1 18 18 THR HA H 35 4.116 4.116 3.997 0.119 18107 8194 1 19 . 1 1 18 18 THR CA C 35 68.694 68.694 66.983 1.711 18107 8195 1 19 . 1 1 18 18 THR CB C 35 68.694 68.694 68.349 0.345 18107 8196 1 19 . 1 1 18 18 THR H H 35 7.726 7.726 7.784 -0.058 18107 8197 1 19 . 1 1 19 19 HIS N N 36 118.130 118.130 120.463 -2.333 18107 8198 1 19 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.248 0.153 18107 8199 1 19 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.851 -0.065 18107 8200 1 19 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.862 -0.792 18107 8201 1 19 . 1 1 19 19 HIS H H 36 7.177 7.177 7.898 -0.721 18107 8202 1 19 . 1 1 20 20 GLU N N 37 119.301 119.301 119.120 0.181 18107 8203 1 19 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.128 -0.078 18107 8204 1 19 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.101 0.456 18107 8205 1 19 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.629 0.427 18107 8206 1 19 . 1 1 20 20 GLU H H 37 7.335 7.335 8.120 -0.785 18107 8207 1 19 . 1 1 21 21 VAL N N 38 122.744 122.744 120.066 2.678 18107 8208 1 19 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.611 -0.189 18107 8209 1 19 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.886 0.163 18107 8210 1 19 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.659 -0.286 18107 8211 1 19 . 1 1 21 21 VAL H H 38 8.385 8.385 7.759 0.626 18107 8212 1 19 . 1 1 22 22 ASP N N 39 120.471 120.471 119.910 0.561 18107 8213 1 19 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.361 -0.214 18107 8214 1 19 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.426 0.300 18107 8215 1 19 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.631 -0.244 18107 8216 1 19 . 1 1 22 22 ASP H H 39 8.054 8.054 7.730 0.324 18107 8217 1 19 . 1 1 23 23 ASP N N 40 118.541 118.541 120.303 -1.762 18107 8218 1 19 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.385 0.035 18107 8219 1 19 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.169 0.318 18107 8220 1 19 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.892 0.282 18107 8221 1 19 . 1 1 23 23 ASP H H 40 7.587 7.587 7.721 -0.134 18107 8222 1 19 . 1 1 24 24 LEU N N 41 123.241 123.241 117.270 5.971 18107 8223 1 19 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.209 -0.041 18107 8224 1 19 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.256 -0.549 18107 8225 1 19 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.286 0.623 18107 8226 1 19 . 1 1 24 24 LEU H H 41 8.032 8.032 8.241 -0.209 18107 8227 1 19 . 1 1 25 25 GLU N N 42 117.508 117.508 119.961 -2.453 18107 8228 1 19 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.035 -0.115 18107 8229 1 19 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.361 -0.279 18107 8230 1 19 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.727 0.136 18107 8231 1 19 . 1 1 25 25 GLU H H 42 8.010 8.010 8.333 -0.323 18107 8232 1 19 . 1 1 26 26 LYS N N 43 117.032 117.032 115.323 1.709 18107 8233 1 19 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.366 -0.123 18107 8234 1 19 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.712 0.539 18107 8235 1 19 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.377 1.129 18107 8236 1 19 . 1 1 26 26 LYS H H 43 7.596 7.596 7.704 -0.108 18107 8237 1 19 . 1 1 27 27 THR N N 44 110.288 110.288 112.575 -2.287 18107 8238 1 19 . 1 1 27 27 THR HA H 44 4.271 4.271 4.405 -0.134 18107 8239 1 19 . 1 1 27 27 THR CA C 44 62.820 62.820 63.633 -0.813 18107 8240 1 19 . 1 1 27 27 THR CB C 44 70.733 70.733 70.038 0.695 18107 8241 1 19 . 1 1 27 27 THR H H 44 8.227 8.227 7.262 0.965 18107 8242 1 19 . 1 1 28 28 GLY N N 45 112.257 112.257 107.910 4.347 18107 8243 1 19 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.937 0.724 18107 8244 1 19 . 1 1 28 28 GLY H H 45 8.727 8.727 8.220 0.507 18107 8245 1 19 . 1 1 29 29 ASN N N 46 118.416 118.416 117.183 1.233 18107 8246 1 19 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.286 0.183 18107 8247 1 19 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.680 0.617 18107 8248 1 19 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.698 2.412 18107 8249 1 19 . 1 1 29 29 ASN H H 46 7.716 7.716 8.133 -0.417 18107 8250 1 19 . 1 1 30 30 LYS N N 47 126.481 126.481 118.803 7.678 18107 8251 1 19 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.031 -0.043 18107 8252 1 19 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.608 0.583 18107 8253 1 19 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.685 -0.172 18107 8254 1 19 . 1 1 30 30 LYS H H 47 8.770 8.770 8.653 0.117 18107 8255 1 19 . 1 1 31 31 ASP N N 48 121.710 121.710 113.081 8.629 18107 8256 1 19 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.715 -0.248 18107 8257 1 19 . 1 1 31 31 ASP CA C 48 57.635 57.635 53.966 3.669 18107 8258 1 19 . 1 1 31 31 ASP CB C 48 40.444 40.444 40.516 -0.071 18107 8259 1 19 . 1 1 31 31 ASP H H 48 8.229 8.229 7.980 0.249 18107 8260 1 19 . 1 1 32 32 GLU N N 49 121.695 121.695 121.262 0.433 18107 8261 1 19 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.131 0.226 18107 8262 1 19 . 1 1 32 32 GLU H H 49 8.048 8.048 8.584 -0.536 18107 8263 1 19 . 1 1 33 33 LYS N N 50 120.099 120.099 118.381 1.718 18107 8264 1 19 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.922 -0.271 18107 8265 1 19 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.549 0.288 18107 8266 1 19 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.981 0.986 18107 8267 1 19 . 1 1 33 33 LYS H H 50 7.975 7.975 8.481 -0.506 18107 8268 1 19 . 1 1 34 34 ALA N N 51 118.238 118.238 119.915 -1.677 18107 8269 1 19 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.032 -0.043 18107 8270 1 19 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.004 0.389 18107 8271 1 19 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.466 -0.254 18107 8272 1 19 . 1 1 34 34 ALA H H 51 7.614 7.614 8.317 -0.703 18107 8273 1 19 . 1 1 35 35 ARG N N 52 120.311 120.311 119.703 0.608 18107 8274 1 19 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.129 1.762 18107 8275 1 19 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.264 0.786 18107 8276 1 19 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.458 -0.047 18107 8277 1 19 . 1 1 35 35 ARG H H 52 7.883 7.883 7.729 0.154 18107 8278 1 19 . 1 1 36 36 LEU N N 53 119.541 119.541 119.717 -0.176 18107 8279 1 19 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.249 -0.303 18107 8280 1 19 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.036 0.452 18107 8281 1 19 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.475 0.967 18107 8282 1 19 . 1 1 36 36 LEU H H 53 8.553 8.553 8.627 -0.074 18107 8283 1 19 . 1 1 37 37 LEU N N 54 117.789 117.789 120.397 -2.608 18107 8284 1 19 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.869 0.196 18107 8285 1 19 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.072 0.570 18107 8286 1 19 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.504 -0.185 18107 8287 1 19 . 1 1 37 37 LEU H H 54 8.341 8.341 8.369 -0.028 18107 8288 1 19 . 1 1 38 38 ARG N N 55 121.176 121.176 117.302 3.874 18107 8289 1 19 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.091 -0.023 18107 8290 1 19 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.442 1.883 18107 8291 1 19 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.317 0.753 18107 8292 1 19 . 1 1 38 38 ARG H H 55 7.864 7.864 7.976 -0.112 18107 8293 1 19 . 1 1 39 39 GLU N N 56 119.256 119.256 121.156 -1.900 18107 8294 1 19 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.136 -0.076 18107 8295 1 19 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.616 0.278 18107 8296 1 19 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.841 0.060 18107 8297 1 19 . 1 1 39 39 GLU H H 56 8.390 8.390 7.798 0.592 18107 8298 1 19 . 1 1 40 40 LEU N N 57 120.312 120.312 117.416 2.896 18107 8299 1 19 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.317 -0.189 18107 8300 1 19 . 1 1 40 40 LEU CA C 57 58.621 58.621 57.807 0.813 18107 8301 1 19 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.410 0.819 18107 8302 1 19 . 1 1 40 40 LEU H H 57 8.802 8.802 8.150 0.652 18107 8303 1 19 . 1 1 41 41 THR N N 58 117.791 117.791 117.703 0.088 18107 8304 1 19 . 1 1 41 41 THR HA H 58 4.341 4.341 3.821 0.520 18107 8305 1 19 . 1 1 41 41 THR CA C 58 67.542 67.542 66.952 0.590 18107 8306 1 19 . 1 1 41 41 THR CB C 58 69.157 69.157 68.686 0.471 18107 8307 1 19 . 1 1 41 41 THR H H 58 8.182 8.182 7.896 0.286 18107 8308 1 19 . 1 1 42 42 VAL N N 59 123.554 123.554 120.953 2.601 18107 8309 1 19 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.611 0.112 18107 8310 1 19 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.548 1.307 18107 8311 1 19 . 1 1 42 42 VAL H H 59 7.978 7.978 8.334 -0.356 18107 8312 1 19 . 1 1 43 43 SER N N 60 116.859 116.859 114.978 1.881 18107 8313 1 19 . 1 1 43 43 SER HA H 60 4.155 4.155 1.685 2.470 18107 8314 1 19 . 1 1 43 43 SER CA C 60 63.412 63.412 60.931 2.481 18107 8315 1 19 . 1 1 43 43 SER H H 60 7.715 7.715 7.595 0.120 18107 8316 1 19 . 1 1 44 44 GLU N N 61 124.072 124.072 120.972 3.100 18107 8317 1 19 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.751 -0.125 18107 8318 1 19 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.109 1.393 18107 8319 1 19 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.521 0.273 18107 8320 1 19 . 1 1 44 44 GLU H H 61 8.517 8.517 8.136 0.381 18107 8321 1 19 . 1 1 45 45 ALA N N 62 120.467 120.467 122.147 -1.680 18107 8322 1 19 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.270 -0.121 18107 8323 1 19 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.825 0.402 18107 8324 1 19 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.480 -0.635 18107 8325 1 19 . 1 1 45 45 ALA H H 62 7.853 7.853 7.558 0.295 18107 8326 1 19 . 1 1 46 46 PHE N N 63 119.936 119.936 117.374 2.562 18107 8327 1 19 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.201 0.064 18107 8328 1 19 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.874 2.662 18107 8329 1 19 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.448 1.744 18107 8330 1 19 . 1 1 46 46 PHE H H 63 7.946 7.946 7.052 0.894 18107 8331 1 19 . 1 1 47 47 ILE N N 64 122.630 122.630 120.275 2.355 18107 8332 1 19 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.523 0.097 18107 8333 1 19 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.365 1.992 18107 8334 1 19 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.810 1.571 18107 8335 1 19 . 1 1 47 47 ILE H H 64 8.595 8.595 7.918 0.677 18107 8336 1 19 . 1 1 48 48 GLU N N 65 120.257 120.257 119.163 1.094 18107 8337 1 19 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.960 0.629 18107 8338 1 19 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.557 -0.201 18107 8339 1 19 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.367 0.234 18107 8340 1 19 . 1 1 48 48 GLU H H 65 9.078 9.078 8.027 1.051 18107 8341 1 19 . 1 1 49 49 GLY N N 66 108.368 108.368 107.409 0.959 18107 8342 1 19 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.644 0.509 18107 8343 1 19 . 1 1 49 49 GLY H H 66 8.379 8.379 8.397 -0.018 18107 8344 1 19 . 1 1 50 50 SER N N 67 119.358 119.358 117.457 1.901 18107 8345 1 19 . 1 1 50 50 SER HA H 67 3.988 3.988 3.993 -0.005 18107 8346 1 19 . 1 1 50 50 SER CA C 67 62.501 62.501 61.282 1.219 18107 8347 1 19 . 1 1 50 50 SER CB C 67 63.441 63.441 63.145 0.296 18107 8348 1 19 . 1 1 50 50 SER H H 67 7.694 7.694 8.290 -0.596 18107 8349 1 19 . 1 1 51 51 ARG N N 68 121.212 121.212 120.799 0.413 18107 8350 1 19 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.130 -0.222 18107 8351 1 19 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.640 1.401 18107 8352 1 19 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.223 0.534 18107 8353 1 19 . 1 1 51 51 ARG H H 68 8.684 8.684 8.148 0.536 18107 8354 1 19 . 1 1 52 52 GLY N N 69 124.556 124.556 106.529 18.027 18107 8355 1 19 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.767 0.496 18107 8356 1 19 . 1 1 52 52 GLY H H 69 8.068 8.068 8.098 -0.030 18107 8357 1 19 . 1 1 53 53 TYR N N 70 123.123 123.123 123.309 -0.186 18107 8358 1 19 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.103 -0.034 18107 8359 1 19 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.650 -0.830 18107 8360 1 19 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.517 -0.770 18107 8361 1 19 . 1 1 53 53 TYR H H 70 7.337 7.337 7.595 -0.258 18107 8362 1 19 . 1 1 54 54 PHE N N 71 117.809 117.809 118.279 -0.470 18107 8363 1 19 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.942 -0.275 18107 8364 1 19 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.286 0.203 18107 8365 1 19 . 1 1 54 54 PHE CB C 71 38.749 38.749 38.103 0.646 18107 8366 1 19 . 1 1 54 54 PHE H H 71 7.965 7.965 7.527 0.438 18107 8367 1 19 . 1 1 55 55 GLN N N 72 115.519 115.519 118.208 -2.689 18107 8368 1 19 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.015 -0.157 18107 8369 1 19 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.645 0.963 18107 8370 1 19 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.278 0.718 18107 8371 1 19 . 1 1 55 55 GLN H H 72 8.522 8.522 8.197 0.325 18107 8372 1 19 . 1 1 56 56 ARG N N 73 118.947 118.947 119.247 -0.300 18107 8373 1 19 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.081 -0.209 18107 8374 1 19 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.258 1.663 18107 8375 1 19 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.777 0.309 18107 8376 1 19 . 1 1 56 56 ARG H H 73 7.677 7.677 7.579 0.098 18107 8377 1 19 . 1 1 57 57 GLU N N 74 121.204 121.204 120.873 0.331 18107 8378 1 19 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.892 -0.210 18107 8379 1 19 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.145 -0.211 18107 8380 1 19 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.896 0.797 18107 8381 1 19 . 1 1 57 57 GLU H H 74 7.897 7.897 8.229 -0.332 18107 8382 1 19 . 1 1 58 58 LEU N N 75 115.348 115.348 119.447 -4.099 18107 8383 1 19 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.161 -0.101 18107 8384 1 19 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.597 -0.703 18107 8385 1 19 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.110 0.220 18107 8386 1 19 . 1 1 58 58 LEU H H 75 7.746 7.746 7.758 -0.012 18107 8387 1 19 . 1 1 59 59 LYS N N 76 117.429 117.429 115.650 1.779 18107 8388 1 19 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.332 -0.132 18107 8389 1 19 . 1 1 59 59 LYS CA C 76 56.608 56.608 55.707 0.901 18107 8390 1 19 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.272 0.611 18107 8391 1 19 . 1 1 59 59 LYS H H 76 7.233 7.233 7.880 -0.647 18107 8392 1 19 . 1 1 60 60 ARG N N 77 120.555 120.555 120.158 0.397 18107 8393 1 19 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.066 0.060 18107 8394 1 19 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.658 -0.959 18107 8395 1 19 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.494 1.304 18107 8396 1 19 . 1 1 60 60 ARG H H 77 7.701 7.701 7.955 -0.254 18107 8397 1 19 . 1 1 61 61 THR N N 78 111.768 111.768 107.182 4.586 18107 8398 1 19 . 1 1 61 61 THR HA H 78 4.414 4.414 4.077 0.337 18107 8399 1 19 . 1 1 61 61 THR CA C 78 62.557 62.557 64.019 -1.462 18107 8400 1 19 . 1 1 61 61 THR CB C 78 69.221 69.221 68.135 1.086 18107 8401 1 19 . 1 1 61 61 THR H H 78 8.638 8.638 8.233 0.405 18107 8402 1 19 . 1 1 62 62 ASP N N 79 120.616 120.616 120.008 0.608 18107 8403 1 19 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.788 -0.156 18107 8404 1 19 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.518 -1.556 18107 8405 1 19 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.563 -1.317 18107 8406 1 19 . 1 1 62 62 ASP H H 79 8.465 8.465 8.472 -0.007 18107 8407 1 19 . 1 1 63 63 LEU N N 80 120.063 120.063 117.232 2.831 18107 8408 1 19 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.764 -0.519 18107 8409 1 19 . 1 1 63 63 LEU CA C 80 55.212 55.212 53.890 1.322 18107 8410 1 19 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.590 -1.796 18107 8411 1 19 . 1 1 63 63 LEU H H 80 7.157 7.157 7.427 -0.270 18107 8412 1 19 . 1 1 64 64 ASP N N 81 125.396 125.396 122.071 3.325 18107 8413 1 19 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.948 -0.379 18107 8414 1 19 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.048 0.929 18107 8415 1 19 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.202 -0.402 18107 8416 1 19 . 1 1 64 64 ASP H H 81 8.926 8.926 8.310 0.616 18107 8417 1 19 . 1 1 65 65 LEU N N 82 122.508 122.508 121.595 0.913 18107 8418 1 19 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.164 -0.326 18107 8419 1 19 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.437 1.384 18107 8420 1 19 . 1 1 65 65 LEU CB C 82 42.195 42.195 42.062 0.133 18107 8421 1 19 . 1 1 65 65 LEU H H 82 8.281 8.281 8.293 -0.012 18107 8422 1 19 . 1 1 66 66 LEU N N 83 119.413 119.413 121.110 -1.697 18107 8423 1 19 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.040 0.032 18107 8424 1 19 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.371 -0.343 18107 8425 1 19 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.260 1.091 18107 8426 1 19 . 1 1 66 66 LEU H H 83 8.149 8.149 8.176 -0.027 18107 8427 1 19 . 1 1 67 67 GLU N N 84 119.941 119.941 118.029 1.912 18107 8428 1 19 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.761 0.085 18107 8429 1 19 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.122 -0.599 18107 8430 1 19 . 1 1 67 67 GLU CB C 84 30.212 30.212 28.937 1.275 18107 8431 1 19 . 1 1 67 67 GLU H H 84 7.725 7.725 8.449 -0.724 18107 8432 1 19 . 1 1 68 68 LYS N N 85 119.400 119.400 119.461 -0.061 18107 8433 1 19 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.872 -0.071 18107 8434 1 19 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.164 1.656 18107 8435 1 19 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.292 0.623 18107 8436 1 19 . 1 1 68 68 LYS H H 85 8.117 8.117 8.100 0.017 18107 8437 1 19 . 1 1 69 69 PHE N N 86 117.969 117.969 119.750 -1.781 18107 8438 1 19 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.102 0.187 18107 8439 1 19 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.044 -0.174 18107 8440 1 19 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.746 0.009 18107 8441 1 19 . 1 1 69 69 PHE H H 86 7.975 7.975 8.314 -0.339 18107 8442 1 19 . 1 1 70 70 ASN N N 87 118.904 118.904 117.878 1.026 18107 8443 1 19 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.133 0.228 18107 8444 1 19 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.568 -0.300 18107 8445 1 19 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.126 -0.028 18107 8446 1 19 . 1 1 70 70 ASN H H 87 8.259 8.259 7.319 0.940 18107 8447 1 19 . 1 1 71 71 PHE N N 88 121.068 121.068 118.347 2.721 18107 8448 1 19 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.414 0.852 18107 8449 1 19 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.432 1.355 18107 8450 1 19 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.463 0.567 18107 8451 1 19 . 1 1 71 71 PHE H H 88 8.618 8.618 7.359 1.259 18107 8452 1 19 . 1 1 72 72 GLU N N 89 120.500 120.500 120.136 0.364 18107 8453 1 19 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.959 -0.106 18107 8454 1 19 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.237 1.260 18107 8455 1 19 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.410 0.101 18107 8456 1 19 . 1 1 72 72 GLU H H 89 8.709 8.709 8.655 0.054 18107 8457 1 19 . 1 1 73 73 ALA N N 90 123.117 123.117 121.638 1.479 18107 8458 1 19 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.859 0.179 18107 8459 1 19 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.582 0.419 18107 8460 1 19 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.709 0.239 18107 8461 1 19 . 1 1 73 73 ALA H H 90 8.158 8.158 7.758 0.400 18107 8462 1 19 . 1 1 74 74 ALA N N 91 122.919 122.919 121.633 1.286 18107 8463 1 19 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.170 -0.219 18107 8464 1 19 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.350 0.929 18107 8465 1 19 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.224 -0.558 18107 8466 1 19 . 1 1 74 74 ALA H H 91 7.841 7.841 8.040 -0.199 18107 8467 1 19 . 1 1 75 75 LEU N N 92 119.956 119.956 119.590 0.366 18107 8468 1 19 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.099 -0.052 18107 8469 1 19 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.295 0.164 18107 8470 1 19 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.782 0.377 18107 8471 1 19 . 1 1 75 75 LEU H H 92 8.091 8.091 8.285 -0.194 18107 8472 1 19 . 1 1 76 76 ALA N N 93 120.763 120.763 120.923 -0.160 18107 8473 1 19 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.095 0.035 18107 8474 1 19 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.276 0.128 18107 8475 1 19 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.112 -0.242 18107 8476 1 19 . 1 1 76 76 ALA H H 93 7.774 7.774 7.786 -0.012 18107 8477 1 19 . 1 1 77 77 THR N N 94 117.510 117.510 115.945 1.565 18107 8478 1 19 . 1 1 77 77 THR HA H 94 4.234 4.234 3.958 0.276 18107 8479 1 19 . 1 1 77 77 THR CA C 94 67.364 67.364 67.521 -0.157 18107 8480 1 19 . 1 1 77 77 THR CB C 94 68.779 68.779 68.833 -0.054 18107 8481 1 19 . 1 1 77 77 THR H H 94 8.188 8.188 7.745 0.443 18107 8482 1 19 . 1 1 78 78 GLY N N 95 110.009 110.009 108.985 1.024 18107 8483 1 19 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.537 1.613 18107 8484 1 19 . 1 1 78 78 GLY H H 95 8.547 8.547 8.751 -0.204 18107 8485 1 19 . 1 1 79 79 ASP N N 96 121.634 121.634 122.750 -1.116 18107 8486 1 19 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.437 -0.169 18107 8487 1 19 . 1 1 79 79 ASP CA C 96 57.936 57.936 56.925 1.011 18107 8488 1 19 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.827 -0.187 18107 8489 1 19 . 1 1 79 79 ASP H H 96 8.548 8.548 7.941 0.607 18107 8490 1 19 . 1 1 80 80 LEU N N 97 122.599 122.599 119.286 3.313 18107 8491 1 19 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.203 -0.195 18107 8492 1 19 . 1 1 80 80 LEU CA C 97 58.442 58.442 58.201 0.241 18107 8493 1 19 . 1 1 80 80 LEU CB C 97 41.929 41.929 41.795 0.134 18107 8494 1 19 . 1 1 80 80 LEU H H 97 7.618 7.618 7.630 -0.011 18107 8495 1 19 . 1 1 81 81 LEU N N 98 119.913 119.913 118.192 1.721 18107 8496 1 19 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.526 -0.495 18107 8497 1 19 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.549 0.259 18107 8498 1 19 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.288 1.073 18107 8499 1 19 . 1 1 81 81 LEU H H 98 8.224 8.224 7.695 0.529 18107 8500 1 19 . 1 1 82 82 LEU N N 99 118.616 118.616 120.766 -2.150 18107 8501 1 19 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.828 0.147 18107 8502 1 19 . 1 1 82 82 LEU CA C 99 58.069 58.069 58.016 0.053 18107 8503 1 19 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.620 0.545 18107 8504 1 19 . 1 1 82 82 LEU H H 99 8.359 8.359 8.585 -0.226 18107 8505 1 19 . 1 1 83 83 LYS N N 100 118.988 118.988 119.119 -0.131 18107 8506 1 19 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.958 -0.074 18107 8507 1 19 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.962 0.305 18107 8508 1 19 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.104 0.067 18107 8509 1 19 . 1 1 83 83 LYS H H 100 7.566 7.566 7.838 -0.272 18107 8510 1 19 . 1 1 84 84 ASP N N 101 121.591 121.591 121.034 0.557 18107 8511 1 19 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.464 -0.067 18107 8512 1 19 . 1 1 84 84 ASP CA C 101 57.696 57.696 57.072 0.624 18107 8513 1 19 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.644 -0.239 18107 8514 1 19 . 1 1 84 84 ASP H H 101 7.743 7.743 7.823 -0.080 18107 8515 1 19 . 1 1 85 85 LEU N N 102 123.215 123.215 120.319 2.896 18107 8516 1 19 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.944 -0.094 18107 8517 1 19 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.312 1.528 18107 8518 1 19 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.759 0.813 18107 8519 1 19 . 1 1 85 85 LEU H H 102 8.760 8.760 8.378 0.382 18107 8520 1 19 . 1 1 86 86 LYS N N 103 119.648 119.648 117.983 1.665 18107 8521 1 19 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.104 -0.036 18107 8522 1 19 . 1 1 86 86 LYS CA C 103 58.792 58.792 58.730 0.062 18107 8523 1 19 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.354 -0.222 18107 8524 1 19 . 1 1 86 86 LYS H H 103 8.883 8.883 7.825 1.058 18107 8525 1 19 . 1 1 87 87 ALA N N 104 122.844 122.844 122.002 0.842 18107 8526 1 19 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.209 -0.049 18107 8527 1 19 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.701 0.599 18107 8528 1 19 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.291 -0.271 18107 8529 1 19 . 1 1 87 87 ALA H H 104 7.721 7.721 7.703 0.018 18107 8530 1 19 . 1 1 88 88 LEU N N 105 120.380 120.380 118.623 1.757 18107 8531 1 19 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.052 -0.060 18107 8532 1 19 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.045 0.141 18107 8533 1 19 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.201 1.603 18107 8534 1 19 . 1 1 88 88 LEU H H 105 7.762 7.762 8.191 -0.429 18107 8535 1 19 . 1 1 89 89 GLN N N 106 118.781 118.781 119.362 -0.581 18107 8536 1 19 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.911 -0.326 18107 8537 1 19 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.434 0.543 18107 8538 1 19 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.486 1.141 18107 8539 1 19 . 1 1 89 89 GLN H H 106 8.658 8.658 8.096 0.562 18107 8540 1 19 . 1 1 90 90 LYS N N 107 118.977 118.977 119.264 -0.287 18107 8541 1 19 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.095 -0.147 18107 8542 1 19 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.367 1.128 18107 8543 1 19 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.820 0.603 18107 8544 1 19 . 1 1 90 90 LYS H H 107 7.786 7.786 7.681 0.105 18107 8545 1 19 . 1 1 91 91 ARG N N 108 117.470 117.470 120.122 -2.652 18107 8546 1 19 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.115 -0.112 18107 8547 1 19 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.442 0.140 18107 8548 1 19 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.364 1.264 18107 8549 1 19 . 1 1 91 91 ARG H H 108 7.469 7.469 7.651 -0.182 18107 8550 1 19 . 1 1 92 92 VAL N N 109 117.865 117.865 120.065 -2.200 18107 8551 1 19 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.729 -0.247 18107 8552 1 19 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.274 0.337 18107 8553 1 19 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.772 0.439 18107 8554 1 19 . 1 1 92 92 VAL H H 109 8.084 8.084 8.420 -0.336 18107 8555 1 19 . 1 1 93 93 GLN N N 110 119.617 119.617 117.478 2.139 18107 8556 1 19 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.080 -0.204 18107 8557 1 19 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.705 0.529 18107 8558 1 19 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.659 0.365 18107 8559 1 19 . 1 1 93 93 GLN H H 110 8.512 8.512 8.265 0.247 18107 8560 1 19 . 1 1 94 94 ASP N N 111 117.490 117.490 119.822 -2.332 18107 8561 1 19 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.512 -0.021 18107 8562 1 19 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.047 -0.766 18107 8563 1 19 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.615 0.220 18107 8564 1 19 . 1 1 94 94 ASP H H 111 8.194 8.194 8.301 -0.107 18107 8565 1 19 . 1 1 95 95 SER N N 112 116.625 116.625 114.747 1.878 18107 8566 1 19 . 1 1 95 95 SER HA H 112 4.288 4.288 4.281 0.007 18107 8567 1 19 . 1 1 95 95 SER CA C 112 59.770 59.770 60.791 -1.021 18107 8568 1 19 . 1 1 95 95 SER CB C 112 63.990 63.990 63.472 0.518 18107 8569 1 19 . 1 1 95 95 SER H H 112 7.479 7.479 7.712 -0.233 18107 8570 1 20 . 1 1 2 2 THR HA H 19 4.222 4.222 4.123 0.099 18107 8571 1 20 . 1 1 2 2 THR CA C 19 63.013 63.013 65.572 -2.559 18107 8572 1 20 . 1 1 2 2 THR CB C 19 69.504 69.504 68.782 0.722 18107 8573 1 20 . 1 1 3 3 ALA N N 20 125.065 125.065 123.171 1.894 18107 8574 1 20 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.948 0.202 18107 8575 1 20 . 1 1 3 3 ALA CA C 20 54.956 54.956 55.024 -0.068 18107 8576 1 20 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.055 0.942 18107 8577 1 20 . 1 1 3 3 ALA H H 20 8.404 8.404 8.429 -0.025 18107 8578 1 20 . 1 1 4 4 THR N N 21 109.840 109.840 112.230 -2.390 18107 8579 1 20 . 1 1 4 4 THR HA H 21 4.235 4.235 4.076 0.159 18107 8580 1 20 . 1 1 4 4 THR CA C 21 64.668 64.668 64.699 -0.031 18107 8581 1 20 . 1 1 4 4 THR CB C 21 68.923 68.923 67.912 1.011 18107 8582 1 20 . 1 1 4 4 THR H H 21 7.910 7.910 8.173 -0.263 18107 8583 1 20 . 1 1 5 5 GLN N N 22 122.037 122.037 120.983 1.054 18107 8584 1 20 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.111 -0.060 18107 8585 1 20 . 1 1 5 5 GLN CA C 22 58.164 58.164 59.102 -0.938 18107 8586 1 20 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.647 -0.090 18107 8587 1 20 . 1 1 5 5 GLN H H 22 7.953 7.953 7.771 0.182 18107 8588 1 20 . 1 1 6 6 ARG N N 23 118.944 118.944 119.395 -0.451 18107 8589 1 20 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.065 0.041 18107 8590 1 20 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.444 -0.352 18107 8591 1 20 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.323 -0.176 18107 8592 1 20 . 1 1 6 6 ARG H H 23 7.922 7.922 7.467 0.455 18107 8593 1 20 . 1 1 7 7 PHE N N 24 116.543 116.543 115.235 1.308 18107 8594 1 20 . 1 1 7 7 PHE H H 24 8.276 8.276 7.662 0.614 18107 8595 1 20 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.508 -0.013 18107 8596 1 20 . 1 1 8 8 HIS CA C 25 60.020 60.020 60.221 -0.201 18107 8597 1 20 . 1 1 8 8 HIS CB C 25 30.052 30.052 30.884 -0.832 18107 8598 1 20 . 1 1 9 9 GLU N N 26 118.298 118.298 119.380 -1.082 18107 8599 1 20 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.156 -0.166 18107 8600 1 20 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.931 -0.553 18107 8601 1 20 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.250 0.062 18107 8602 1 20 . 1 1 9 9 GLU H H 26 8.148 8.148 8.702 -0.554 18107 8603 1 20 . 1 1 10 10 ILE N N 27 121.761 121.761 116.731 5.030 18107 8604 1 20 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.770 0.194 18107 8605 1 20 . 1 1 10 10 ILE CA C 27 63.463 63.463 63.334 0.129 18107 8606 1 20 . 1 1 10 10 ILE CB C 27 37.250 37.250 36.597 0.653 18107 8607 1 20 . 1 1 10 10 ILE H H 27 8.165 8.165 8.070 0.095 18107 8608 1 20 . 1 1 11 11 GLU N N 28 122.042 122.042 121.863 0.179 18107 8609 1 20 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.922 -0.085 18107 8610 1 20 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.223 0.405 18107 8611 1 20 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.232 0.774 18107 8612 1 20 . 1 1 11 11 GLU H H 28 8.541 8.541 7.796 0.745 18107 8613 1 20 . 1 1 12 12 LYS N N 29 117.967 117.967 118.627 -0.660 18107 8614 1 20 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.092 -0.150 18107 8615 1 20 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.359 0.382 18107 8616 1 20 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.379 0.073 18107 8617 1 20 . 1 1 12 12 LYS H H 29 7.517 7.517 7.789 -0.272 18107 8618 1 20 . 1 1 13 13 PHE N N 30 122.144 122.144 120.376 1.768 18107 8619 1 20 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.382 0.047 18107 8620 1 20 . 1 1 13 13 PHE CA C 30 60.787 60.787 60.664 0.123 18107 8621 1 20 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.580 0.631 18107 8622 1 20 . 1 1 13 13 PHE H H 30 8.066 8.066 8.079 -0.013 18107 8623 1 20 . 1 1 14 14 LEU N N 31 119.404 119.404 120.532 -1.128 18107 8624 1 20 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.958 -0.224 18107 8625 1 20 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.423 -0.659 18107 8626 1 20 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.956 -0.520 18107 8627 1 20 . 1 1 14 14 LEU H H 31 8.739 8.739 8.704 0.035 18107 8628 1 20 . 1 1 15 15 LEU N N 32 121.073 121.073 117.773 3.300 18107 8629 1 20 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.117 -0.157 18107 8630 1 20 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.140 0.192 18107 8631 1 20 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.094 0.868 18107 8632 1 20 . 1 1 15 15 LEU H H 32 7.736 7.736 7.685 0.051 18107 8633 1 20 . 1 1 16 16 HIS N N 33 118.629 118.629 118.609 0.020 18107 8634 1 20 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.361 -0.015 18107 8635 1 20 . 1 1 16 16 HIS CA C 33 59.645 59.645 58.456 1.189 18107 8636 1 20 . 1 1 16 16 HIS CB C 33 30.301 30.301 29.960 0.341 18107 8637 1 20 . 1 1 16 16 HIS H H 33 7.681 7.681 8.143 -0.462 18107 8638 1 20 . 1 1 17 17 ILE N N 34 118.602 118.602 120.614 -2.012 18107 8639 1 20 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.864 -0.059 18107 8640 1 20 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.515 -1.008 18107 8641 1 20 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.175 -0.730 18107 8642 1 20 . 1 1 17 17 ILE H H 34 8.502 8.502 8.686 -0.184 18107 8643 1 20 . 1 1 18 18 THR N N 35 117.776 117.776 116.113 1.663 18107 8644 1 20 . 1 1 18 18 THR HA H 35 4.116 4.116 3.970 0.146 18107 8645 1 20 . 1 1 18 18 THR CA C 35 68.694 68.694 67.089 1.605 18107 8646 1 20 . 1 1 18 18 THR CB C 35 68.694 68.694 68.409 0.285 18107 8647 1 20 . 1 1 18 18 THR H H 35 7.726 7.726 7.864 -0.139 18107 8648 1 20 . 1 1 19 19 HIS N N 36 118.130 118.130 120.956 -2.826 18107 8649 1 20 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.606 -0.205 18107 8650 1 20 . 1 1 19 19 HIS CA C 36 58.786 58.786 58.557 0.229 18107 8651 1 20 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.411 -0.341 18107 8652 1 20 . 1 1 19 19 HIS H H 36 7.177 7.177 7.997 -0.820 18107 8653 1 20 . 1 1 20 20 GLU N N 37 119.301 119.301 118.784 0.517 18107 8654 1 20 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.039 0.011 18107 8655 1 20 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.400 0.157 18107 8656 1 20 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.492 0.563 18107 8657 1 20 . 1 1 20 20 GLU H H 37 7.335 7.335 7.935 -0.600 18107 8658 1 20 . 1 1 21 21 VAL N N 38 122.744 122.744 119.923 2.821 18107 8659 1 20 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.630 -0.208 18107 8660 1 20 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.373 0.676 18107 8661 1 20 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.468 -0.095 18107 8662 1 20 . 1 1 21 21 VAL H H 38 8.385 8.385 7.725 0.660 18107 8663 1 20 . 1 1 22 22 ASP N N 39 120.471 120.471 120.832 -0.361 18107 8664 1 20 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.426 -0.279 18107 8665 1 20 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.477 0.249 18107 8666 1 20 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.184 0.204 18107 8667 1 20 . 1 1 22 22 ASP H H 39 8.054 8.054 7.878 0.176 18107 8668 1 20 . 1 1 23 23 ASP N N 40 118.541 118.541 120.211 -1.670 18107 8669 1 20 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.359 0.061 18107 8670 1 20 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.568 -0.081 18107 8671 1 20 . 1 1 23 23 ASP CB C 40 41.174 41.174 40.974 0.200 18107 8672 1 20 . 1 1 23 23 ASP H H 40 7.587 7.587 8.016 -0.429 18107 8673 1 20 . 1 1 24 24 LEU N N 41 123.241 123.241 117.271 5.970 18107 8674 1 20 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.181 -0.013 18107 8675 1 20 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.156 -0.449 18107 8676 1 20 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.228 0.681 18107 8677 1 20 . 1 1 24 24 LEU H H 41 8.032 8.032 8.149 -0.117 18107 8678 1 20 . 1 1 25 25 GLU N N 42 117.508 117.508 120.051 -2.543 18107 8679 1 20 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.079 -0.159 18107 8680 1 20 . 1 1 25 25 GLU CA C 42 59.082 59.082 58.948 0.134 18107 8681 1 20 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.756 0.107 18107 8682 1 20 . 1 1 25 25 GLU H H 42 8.010 8.010 8.164 -0.154 18107 8683 1 20 . 1 1 26 26 LYS N N 43 117.032 117.032 115.471 1.561 18107 8684 1 20 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.435 -0.192 18107 8685 1 20 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.240 1.011 18107 8686 1 20 . 1 1 26 26 LYS CB C 43 33.507 33.507 33.017 0.490 18107 8687 1 20 . 1 1 26 26 LYS H H 43 7.596 7.596 7.733 -0.137 18107 8688 1 20 . 1 1 27 27 THR N N 44 110.288 110.288 112.563 -2.275 18107 8689 1 20 . 1 1 27 27 THR HA H 44 4.271 4.271 4.462 -0.191 18107 8690 1 20 . 1 1 27 27 THR CA C 44 62.820 62.820 63.908 -1.088 18107 8691 1 20 . 1 1 27 27 THR CB C 44 70.733 70.733 70.308 0.425 18107 8692 1 20 . 1 1 27 27 THR H H 44 8.227 8.227 8.043 0.184 18107 8693 1 20 . 1 1 28 28 GLY N N 45 112.257 112.257 107.710 4.547 18107 8694 1 20 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.882 0.779 18107 8695 1 20 . 1 1 28 28 GLY H H 45 8.727 8.727 7.945 0.782 18107 8696 1 20 . 1 1 29 29 ASN N N 46 118.416 118.416 116.781 1.635 18107 8697 1 20 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.418 0.051 18107 8698 1 20 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.346 0.951 18107 8699 1 20 . 1 1 29 29 ASN CB C 46 39.110 39.110 37.503 1.607 18107 8700 1 20 . 1 1 29 29 ASN H H 46 7.716 7.716 8.551 -0.835 18107 8701 1 20 . 1 1 30 30 LYS N N 47 126.481 126.481 118.842 7.639 18107 8702 1 20 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.150 -0.162 18107 8703 1 20 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.006 1.185 18107 8704 1 20 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.477 0.036 18107 8705 1 20 . 1 1 30 30 LYS H H 47 8.770 8.770 8.147 0.623 18107 8706 1 20 . 1 1 31 31 ASP N N 48 121.710 121.710 114.687 7.023 18107 8707 1 20 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.755 -0.288 18107 8708 1 20 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.385 3.250 18107 8709 1 20 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.815 -1.371 18107 8710 1 20 . 1 1 31 31 ASP H H 48 8.229 8.229 8.143 0.086 18107 8711 1 20 . 1 1 32 32 GLU N N 49 121.695 121.695 121.663 0.032 18107 8712 1 20 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.085 0.272 18107 8713 1 20 . 1 1 32 32 GLU H H 49 8.048 8.048 8.706 -0.658 18107 8714 1 20 . 1 1 33 33 LYS N N 50 120.099 120.099 120.351 -0.252 18107 8715 1 20 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.888 -0.237 18107 8716 1 20 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.439 0.398 18107 8717 1 20 . 1 1 33 33 LYS CB C 50 32.967 32.967 32.124 0.843 18107 8718 1 20 . 1 1 33 33 LYS H H 50 7.975 7.975 8.105 -0.130 18107 8719 1 20 . 1 1 34 34 ALA N N 51 118.238 118.238 119.335 -1.097 18107 8720 1 20 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.026 -0.037 18107 8721 1 20 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.040 0.353 18107 8722 1 20 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.228 -0.016 18107 8723 1 20 . 1 1 34 34 ALA H H 51 7.614 7.614 8.383 -0.769 18107 8724 1 20 . 1 1 35 35 ARG N N 52 120.311 120.311 119.289 1.022 18107 8725 1 20 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.075 1.816 18107 8726 1 20 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.253 0.797 18107 8727 1 20 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.531 -0.120 18107 8728 1 20 . 1 1 35 35 ARG H H 52 7.883 7.883 7.802 0.081 18107 8729 1 20 . 1 1 36 36 LEU N N 53 119.541 119.541 119.160 0.381 18107 8730 1 20 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.101 -0.155 18107 8731 1 20 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.133 0.356 18107 8732 1 20 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.198 1.244 18107 8733 1 20 . 1 1 36 36 LEU H H 53 8.553 8.553 8.481 0.072 18107 8734 1 20 . 1 1 37 37 LEU N N 54 117.789 117.789 120.202 -2.413 18107 8735 1 20 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.843 0.222 18107 8736 1 20 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.064 0.578 18107 8737 1 20 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.407 -0.088 18107 8738 1 20 . 1 1 37 37 LEU H H 54 8.341 8.341 7.975 0.366 18107 8739 1 20 . 1 1 38 38 ARG N N 55 121.176 121.176 118.127 3.049 18107 8740 1 20 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.043 0.025 18107 8741 1 20 . 1 1 38 38 ARG CA C 55 60.325 60.325 59.163 1.162 18107 8742 1 20 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.801 0.269 18107 8743 1 20 . 1 1 38 38 ARG H H 55 7.864 7.864 7.910 -0.046 18107 8744 1 20 . 1 1 39 39 GLU N N 56 119.256 119.256 121.163 -1.907 18107 8745 1 20 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.092 -0.032 18107 8746 1 20 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.880 0.014 18107 8747 1 20 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.567 0.334 18107 8748 1 20 . 1 1 39 39 GLU H H 56 8.390 8.390 7.763 0.627 18107 8749 1 20 . 1 1 40 40 LEU N N 57 120.312 120.312 117.867 2.445 18107 8750 1 20 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.226 -0.098 18107 8751 1 20 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.311 0.310 18107 8752 1 20 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.431 0.798 18107 8753 1 20 . 1 1 40 40 LEU H H 57 8.802 8.802 7.968 0.834 18107 8754 1 20 . 1 1 41 41 THR N N 58 117.791 117.791 117.784 0.007 18107 8755 1 20 . 1 1 41 41 THR HA H 58 4.341 4.341 4.108 0.233 18107 8756 1 20 . 1 1 41 41 THR CA C 58 67.542 67.542 66.424 1.118 18107 8757 1 20 . 1 1 41 41 THR CB C 58 69.157 69.157 68.789 0.368 18107 8758 1 20 . 1 1 41 41 THR H H 58 8.182 8.182 7.855 0.327 18107 8759 1 20 . 1 1 42 42 VAL N N 59 123.554 123.554 120.868 2.686 18107 8760 1 20 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.632 0.091 18107 8761 1 20 . 1 1 42 42 VAL CA C 59 66.855 66.855 65.347 1.508 18107 8762 1 20 . 1 1 42 42 VAL H H 59 7.978 7.978 8.315 -0.337 18107 8763 1 20 . 1 1 43 43 SER N N 60 116.859 116.859 115.456 1.403 18107 8764 1 20 . 1 1 43 43 SER HA H 60 4.155 4.155 2.178 1.977 18107 8765 1 20 . 1 1 43 43 SER CA C 60 63.412 63.412 61.105 2.307 18107 8766 1 20 . 1 1 43 43 SER H H 60 7.715 7.715 7.677 0.038 18107 8767 1 20 . 1 1 44 44 GLU N N 61 124.072 124.072 120.914 3.158 18107 8768 1 20 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.866 -0.240 18107 8769 1 20 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.039 1.463 18107 8770 1 20 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.522 0.272 18107 8771 1 20 . 1 1 44 44 GLU H H 61 8.517 8.517 8.139 0.378 18107 8772 1 20 . 1 1 45 45 ALA N N 62 120.467 120.467 122.249 -1.782 18107 8773 1 20 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.252 -0.103 18107 8774 1 20 . 1 1 45 45 ALA CA C 62 55.226 55.226 55.031 0.195 18107 8775 1 20 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.219 -0.374 18107 8776 1 20 . 1 1 45 45 ALA H H 62 7.853 7.853 7.595 0.258 18107 8777 1 20 . 1 1 46 46 PHE N N 63 119.936 119.936 116.595 3.341 18107 8778 1 20 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.329 -0.064 18107 8779 1 20 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.651 2.885 18107 8780 1 20 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.733 1.459 18107 8781 1 20 . 1 1 46 46 PHE H H 63 7.946 7.946 7.029 0.917 18107 8782 1 20 . 1 1 47 47 ILE N N 64 122.630 122.630 121.106 1.524 18107 8783 1 20 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.741 -0.121 18107 8784 1 20 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.026 2.332 18107 8785 1 20 . 1 1 47 47 ILE CB C 64 38.381 38.381 37.242 1.139 18107 8786 1 20 . 1 1 47 47 ILE H H 64 8.595 8.595 8.351 0.244 18107 8787 1 20 . 1 1 48 48 GLU N N 65 120.257 120.257 119.420 0.837 18107 8788 1 20 . 1 1 48 48 GLU HA H 65 4.589 4.589 4.004 0.585 18107 8789 1 20 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.278 0.078 18107 8790 1 20 . 1 1 48 48 GLU CB C 65 29.601 29.601 28.887 0.714 18107 8791 1 20 . 1 1 48 48 GLU H H 65 9.078 9.078 8.542 0.536 18107 8792 1 20 . 1 1 49 49 GLY N N 66 108.368 108.368 108.473 -0.105 18107 8793 1 20 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.741 0.412 18107 8794 1 20 . 1 1 49 49 GLY H H 66 8.379 8.379 8.375 0.004 18107 8795 1 20 . 1 1 50 50 SER N N 67 119.358 119.358 118.031 1.327 18107 8796 1 20 . 1 1 50 50 SER HA H 67 3.988 3.988 4.081 -0.093 18107 8797 1 20 . 1 1 50 50 SER CA C 67 62.501 62.501 61.716 0.785 18107 8798 1 20 . 1 1 50 50 SER CB C 67 63.441 63.441 62.941 0.501 18107 8799 1 20 . 1 1 50 50 SER H H 67 7.694 7.694 8.219 -0.525 18107 8800 1 20 . 1 1 51 51 ARG N N 68 121.212 121.212 121.174 0.038 18107 8801 1 20 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.144 -0.236 18107 8802 1 20 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.641 1.400 18107 8803 1 20 . 1 1 51 51 ARG CB C 68 30.757 30.757 30.219 0.538 18107 8804 1 20 . 1 1 51 51 ARG H H 68 8.684 8.684 7.834 0.850 18107 8805 1 20 . 1 1 52 52 GLY N N 69 124.556 124.556 106.373 18.183 18107 8806 1 20 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.803 0.459 18107 8807 1 20 . 1 1 52 52 GLY H H 69 8.068 8.068 8.248 -0.180 18107 8808 1 20 . 1 1 53 53 TYR N N 70 123.123 123.123 122.735 0.388 18107 8809 1 20 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.169 -0.100 18107 8810 1 20 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.342 -0.522 18107 8811 1 20 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.490 -0.743 18107 8812 1 20 . 1 1 53 53 TYR H H 70 7.337 7.337 7.737 -0.400 18107 8813 1 20 . 1 1 54 54 PHE N N 71 117.809 117.809 119.207 -1.398 18107 8814 1 20 . 1 1 54 54 PHE HA H 71 3.667 3.667 4.114 -0.447 18107 8815 1 20 . 1 1 54 54 PHE CA C 71 60.489 60.489 59.841 0.648 18107 8816 1 20 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.956 0.793 18107 8817 1 20 . 1 1 54 54 PHE H H 71 7.965 7.965 7.356 0.609 18107 8818 1 20 . 1 1 55 55 GLN N N 72 115.519 115.519 118.337 -2.818 18107 8819 1 20 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.039 -0.181 18107 8820 1 20 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.964 0.644 18107 8821 1 20 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.761 0.235 18107 8822 1 20 . 1 1 55 55 GLN H H 72 8.522 8.522 7.935 0.587 18107 8823 1 20 . 1 1 56 56 ARG N N 73 118.947 118.947 117.694 1.253 18107 8824 1 20 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.124 -0.252 18107 8825 1 20 . 1 1 56 56 ARG CA C 73 59.921 59.921 57.680 2.241 18107 8826 1 20 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.878 0.208 18107 8827 1 20 . 1 1 56 56 ARG H H 73 7.677 7.677 7.668 0.009 18107 8828 1 20 . 1 1 57 57 GLU N N 74 121.204 121.204 121.913 -0.709 18107 8829 1 20 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.960 -0.278 18107 8830 1 20 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.177 -0.243 18107 8831 1 20 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.988 0.705 18107 8832 1 20 . 1 1 57 57 GLU H H 74 7.897 7.897 8.219 -0.322 18107 8833 1 20 . 1 1 58 58 LEU N N 75 115.348 115.348 118.907 -3.559 18107 8834 1 20 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.182 -0.122 18107 8835 1 20 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.959 -1.065 18107 8836 1 20 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.200 0.130 18107 8837 1 20 . 1 1 58 58 LEU H H 75 7.746 7.746 7.796 -0.050 18107 8838 1 20 . 1 1 59 59 LYS N N 76 117.429 117.429 115.787 1.642 18107 8839 1 20 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.287 -0.087 18107 8840 1 20 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.714 -0.106 18107 8841 1 20 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.139 0.744 18107 8842 1 20 . 1 1 59 59 LYS H H 76 7.233 7.233 7.888 -0.655 18107 8843 1 20 . 1 1 60 60 ARG N N 77 120.555 120.555 119.577 0.978 18107 8844 1 20 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.059 0.067 18107 8845 1 20 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.614 -0.915 18107 8846 1 20 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.325 1.473 18107 8847 1 20 . 1 1 60 60 ARG H H 77 7.701 7.701 7.952 -0.251 18107 8848 1 20 . 1 1 61 61 THR N N 78 111.768 111.768 108.177 3.591 18107 8849 1 20 . 1 1 61 61 THR HA H 78 4.414 4.414 4.068 0.346 18107 8850 1 20 . 1 1 61 61 THR CA C 78 62.557 62.557 64.373 -1.816 18107 8851 1 20 . 1 1 61 61 THR CB C 78 69.221 69.221 67.786 1.435 18107 8852 1 20 . 1 1 61 61 THR H H 78 8.638 8.638 8.090 0.548 18107 8853 1 20 . 1 1 62 62 ASP N N 79 120.616 120.616 120.469 0.147 18107 8854 1 20 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.807 -0.175 18107 8855 1 20 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.092 -1.130 18107 8856 1 20 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.230 -0.985 18107 8857 1 20 . 1 1 62 62 ASP H H 79 8.465 8.465 8.550 -0.085 18107 8858 1 20 . 1 1 63 63 LEU N N 80 120.063 120.063 115.737 4.326 18107 8859 1 20 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.767 -0.522 18107 8860 1 20 . 1 1 63 63 LEU CA C 80 55.212 55.212 54.807 0.405 18107 8861 1 20 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.643 -1.848 18107 8862 1 20 . 1 1 63 63 LEU H H 80 7.157 7.157 7.427 -0.270 18107 8863 1 20 . 1 1 64 64 ASP N N 81 125.396 125.396 122.281 3.115 18107 8864 1 20 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.884 -0.315 18107 8865 1 20 . 1 1 64 64 ASP CA C 81 53.977 53.977 52.679 1.298 18107 8866 1 20 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.589 -0.789 18107 8867 1 20 . 1 1 64 64 ASP H H 81 8.926 8.926 8.202 0.724 18107 8868 1 20 . 1 1 65 65 LEU N N 82 122.508 122.508 121.344 1.164 18107 8869 1 20 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.080 -0.242 18107 8870 1 20 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.739 1.082 18107 8871 1 20 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.888 0.307 18107 8872 1 20 . 1 1 65 65 LEU H H 82 8.281 8.281 8.235 0.046 18107 8873 1 20 . 1 1 66 66 LEU N N 83 119.413 119.413 120.915 -1.502 18107 8874 1 20 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.136 -0.064 18107 8875 1 20 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.138 -0.110 18107 8876 1 20 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.417 0.934 18107 8877 1 20 . 1 1 66 66 LEU H H 83 8.149 8.149 8.054 0.095 18107 8878 1 20 . 1 1 67 67 GLU N N 84 119.941 119.941 117.974 1.967 18107 8879 1 20 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.720 0.126 18107 8880 1 20 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.608 -1.085 18107 8881 1 20 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.203 1.010 18107 8882 1 20 . 1 1 67 67 GLU H H 84 7.725 7.725 8.475 -0.750 18107 8883 1 20 . 1 1 68 68 LYS N N 85 119.400 119.400 119.521 -0.121 18107 8884 1 20 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.865 -0.064 18107 8885 1 20 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.290 1.530 18107 8886 1 20 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.349 0.566 18107 8887 1 20 . 1 1 68 68 LYS H H 85 8.117 8.117 8.136 -0.019 18107 8888 1 20 . 1 1 69 69 PHE N N 86 117.969 117.969 119.837 -1.868 18107 8889 1 20 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.098 0.191 18107 8890 1 20 . 1 1 69 69 PHE CA C 86 60.869 60.869 60.677 0.192 18107 8891 1 20 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.893 -0.138 18107 8892 1 20 . 1 1 69 69 PHE H H 86 7.975 7.975 8.146 -0.171 18107 8893 1 20 . 1 1 70 70 ASN N N 87 118.904 118.904 118.202 0.702 18107 8894 1 20 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.193 0.168 18107 8895 1 20 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.560 -0.292 18107 8896 1 20 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.622 -0.524 18107 8897 1 20 . 1 1 70 70 ASN H H 87 8.259 8.259 7.223 1.036 18107 8898 1 20 . 1 1 71 71 PHE N N 88 121.068 121.068 118.585 2.483 18107 8899 1 20 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.291 0.975 18107 8900 1 20 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.879 0.908 18107 8901 1 20 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.264 0.766 18107 8902 1 20 . 1 1 71 71 PHE H H 88 8.618 8.618 7.289 1.329 18107 8903 1 20 . 1 1 72 72 GLU N N 89 120.500 120.500 119.752 0.748 18107 8904 1 20 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.956 -0.103 18107 8905 1 20 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.042 1.455 18107 8906 1 20 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.187 0.324 18107 8907 1 20 . 1 1 72 72 GLU H H 89 8.709 8.709 8.696 0.013 18107 8908 1 20 . 1 1 73 73 ALA N N 90 123.117 123.117 122.016 1.101 18107 8909 1 20 . 1 1 73 73 ALA HA H 90 4.038 4.038 3.913 0.125 18107 8910 1 20 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.637 0.364 18107 8911 1 20 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.779 0.169 18107 8912 1 20 . 1 1 73 73 ALA H H 90 8.158 8.158 7.747 0.411 18107 8913 1 20 . 1 1 74 74 ALA N N 91 122.919 122.919 121.119 1.800 18107 8914 1 20 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.144 -0.193 18107 8915 1 20 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.516 0.763 18107 8916 1 20 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.298 -0.632 18107 8917 1 20 . 1 1 74 74 ALA H H 91 7.841 7.841 8.035 -0.194 18107 8918 1 20 . 1 1 75 75 LEU N N 92 119.956 119.956 119.743 0.213 18107 8919 1 20 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.128 -0.081 18107 8920 1 20 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.208 0.251 18107 8921 1 20 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.813 0.346 18107 8922 1 20 . 1 1 75 75 LEU H H 92 8.091 8.091 8.362 -0.271 18107 8923 1 20 . 1 1 76 76 ALA N N 93 120.763 120.763 120.881 -0.118 18107 8924 1 20 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.132 -0.002 18107 8925 1 20 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.022 0.382 18107 8926 1 20 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.182 -0.312 18107 8927 1 20 . 1 1 76 76 ALA H H 93 7.774 7.774 7.836 -0.062 18107 8928 1 20 . 1 1 77 77 THR N N 94 117.510 117.510 116.027 1.483 18107 8929 1 20 . 1 1 77 77 THR HA H 94 4.234 4.234 4.042 0.192 18107 8930 1 20 . 1 1 77 77 THR CA C 94 67.364 67.364 67.806 -0.442 18107 8931 1 20 . 1 1 77 77 THR CB C 94 68.779 68.779 68.805 -0.026 18107 8932 1 20 . 1 1 77 77 THR H H 94 8.188 8.188 7.783 0.405 18107 8933 1 20 . 1 1 78 78 GLY N N 95 110.009 110.009 109.605 0.404 18107 8934 1 20 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.595 1.555 18107 8935 1 20 . 1 1 78 78 GLY H H 95 8.547 8.547 8.805 -0.258 18107 8936 1 20 . 1 1 79 79 ASP N N 96 121.634 121.634 122.875 -1.241 18107 8937 1 20 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.421 -0.153 18107 8938 1 20 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.215 0.721 18107 8939 1 20 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.552 0.088 18107 8940 1 20 . 1 1 79 79 ASP H H 96 8.548 8.548 8.107 0.441 18107 8941 1 20 . 1 1 80 80 LEU N N 97 122.599 122.599 119.528 3.071 18107 8942 1 20 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.064 -0.056 18107 8943 1 20 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.727 0.715 18107 8944 1 20 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.216 -0.287 18107 8945 1 20 . 1 1 80 80 LEU H H 97 7.618 7.618 7.635 -0.017 18107 8946 1 20 . 1 1 81 81 LEU N N 98 119.913 119.913 118.085 1.828 18107 8947 1 20 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.070 -0.039 18107 8948 1 20 . 1 1 81 81 LEU CA C 98 57.808 57.808 58.093 -0.285 18107 8949 1 20 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.200 1.161 18107 8950 1 20 . 1 1 81 81 LEU H H 98 8.224 8.224 7.852 0.372 18107 8951 1 20 . 1 1 82 82 LEU N N 99 118.616 118.616 120.782 -2.166 18107 8952 1 20 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.854 0.121 18107 8953 1 20 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.938 0.131 18107 8954 1 20 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.612 0.553 18107 8955 1 20 . 1 1 82 82 LEU H H 99 8.359 8.359 8.571 -0.212 18107 8956 1 20 . 1 1 83 83 LYS N N 100 118.988 118.988 118.964 0.024 18107 8957 1 20 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.974 -0.090 18107 8958 1 20 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.811 0.456 18107 8959 1 20 . 1 1 83 83 LYS CB C 100 32.171 32.171 31.915 0.256 18107 8960 1 20 . 1 1 83 83 LYS H H 100 7.566 7.566 7.765 -0.199 18107 8961 1 20 . 1 1 84 84 ASP N N 101 121.591 121.591 120.762 0.829 18107 8962 1 20 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.485 -0.088 18107 8963 1 20 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.641 1.055 18107 8964 1 20 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.770 -0.365 18107 8965 1 20 . 1 1 84 84 ASP H H 101 7.743 7.743 7.908 -0.165 18107 8966 1 20 . 1 1 85 85 LEU N N 102 123.215 123.215 120.279 2.936 18107 8967 1 20 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.865 -0.015 18107 8968 1 20 . 1 1 85 85 LEU CA C 102 59.841 59.841 57.936 1.905 18107 8969 1 20 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.744 0.828 18107 8970 1 20 . 1 1 85 85 LEU H H 102 8.760 8.760 8.353 0.407 18107 8971 1 20 . 1 1 86 86 LYS N N 103 119.648 119.648 119.714 -0.066 18107 8972 1 20 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.256 -0.188 18107 8973 1 20 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.031 -0.239 18107 8974 1 20 . 1 1 86 86 LYS CB C 103 31.132 31.132 32.283 -1.151 18107 8975 1 20 . 1 1 86 86 LYS H H 103 8.883 8.883 7.746 1.137 18107 8976 1 20 . 1 1 87 87 ALA N N 104 122.844 122.844 121.498 1.346 18107 8977 1 20 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.130 0.030 18107 8978 1 20 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.825 0.475 18107 8979 1 20 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.120 -0.100 18107 8980 1 20 . 1 1 87 87 ALA H H 104 7.721 7.721 7.631 0.090 18107 8981 1 20 . 1 1 88 88 LEU N N 105 120.380 120.380 118.685 1.695 18107 8982 1 20 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.000 -0.008 18107 8983 1 20 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.176 0.010 18107 8984 1 20 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.111 1.692 18107 8985 1 20 . 1 1 88 88 LEU H H 105 7.762 7.762 7.987 -0.225 18107 8986 1 20 . 1 1 89 89 GLN N N 106 118.781 118.781 119.255 -0.474 18107 8987 1 20 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.897 -0.312 18107 8988 1 20 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.328 0.650 18107 8989 1 20 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.481 1.146 18107 8990 1 20 . 1 1 89 89 GLN H H 106 8.658 8.658 7.946 0.712 18107 8991 1 20 . 1 1 90 90 LYS N N 107 118.977 118.977 119.513 -0.536 18107 8992 1 20 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.090 -0.142 18107 8993 1 20 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.388 1.107 18107 8994 1 20 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.756 0.667 18107 8995 1 20 . 1 1 90 90 LYS H H 107 7.786 7.786 7.732 0.054 18107 8996 1 20 . 1 1 91 91 ARG N N 108 117.470 117.470 120.324 -2.854 18107 8997 1 20 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.116 -0.113 18107 8998 1 20 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.550 0.032 18107 8999 1 20 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.387 1.241 18107 9000 1 20 . 1 1 91 91 ARG H H 108 7.469 7.469 7.663 -0.194 18107 9001 1 20 . 1 1 92 92 VAL N N 109 117.865 117.865 120.475 -2.610 18107 9002 1 20 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.602 -0.120 18107 9003 1 20 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.787 -0.176 18107 9004 1 20 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.772 0.439 18107 9005 1 20 . 1 1 92 92 VAL H H 109 8.084 8.084 8.569 -0.485 18107 9006 1 20 . 1 1 93 93 GLN N N 110 119.617 119.617 117.941 1.676 18107 9007 1 20 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.019 -0.143 18107 9008 1 20 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.791 0.444 18107 9009 1 20 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.164 0.860 18107 9010 1 20 . 1 1 93 93 GLN H H 110 8.512 8.512 8.433 0.079 18107 9011 1 20 . 1 1 94 94 ASP N N 111 117.490 117.490 119.474 -1.984 18107 9012 1 20 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.481 0.010 18107 9013 1 20 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.340 -1.059 18107 9014 1 20 . 1 1 94 94 ASP CB C 111 40.835 40.835 40.754 0.081 18107 9015 1 20 . 1 1 94 94 ASP H H 111 8.194 8.194 8.174 0.020 18107 9016 1 20 . 1 1 95 95 SER N N 112 116.625 116.625 114.642 1.983 18107 9017 1 20 . 1 1 95 95 SER HA H 112 4.288 4.288 4.297 -0.009 18107 9018 1 20 . 1 1 95 95 SER CA C 112 59.770 59.770 60.741 -0.971 18107 9019 1 20 . 1 1 95 95 SER CB C 112 63.990 63.990 63.680 0.310 18107 9020 1 20 . 1 1 95 95 SER H H 112 7.479 7.479 7.823 -0.344 18107 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 92 2.914 -0.876 2.795 18107 2 1 1 "Average Difference" HA 97 0.362 -0.027 0.363 18107 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18107 4 1 1 "Average Difference" CA 92 1.081 -0.273 1.051 18107 5 1 1 "Average Difference" CB 86 0.804 -0.358 0.724 18107 6 1 1 "Average Difference" HN 92 0.479 -0.085 0.474 18107 7 1 2 "Average Difference" N 92 2.932 -0.990 2.775 18107 8 1 2 "Average Difference" HA 97 0.369 0.007 0.370 18107 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18107 10 1 2 "Average Difference" CA 92 1.076 -0.374 1.015 18107 11 1 2 "Average Difference" CB 86 0.836 -0.383 0.747 18107 12 1 2 "Average Difference" HN 92 0.457 -0.053 0.457 18107 13 1 3 "Average Difference" N 92 3.077 -1.001 2.926 18107 14 1 3 "Average Difference" HA 97 0.439 -0.023 0.441 18107 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18107 16 1 3 "Average Difference" CA 92 1.100 -0.299 1.065 18107 17 1 3 "Average Difference" CB 86 0.800 -0.301 0.745 18107 18 1 3 "Average Difference" HN 92 0.485 -0.061 0.484 18107 19 1 4 "Average Difference" N 92 2.929 -0.970 2.779 18107 20 1 4 "Average Difference" HA 97 0.351 -0.006 0.352 18107 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18107 22 1 4 "Average Difference" CA 92 1.036 -0.370 0.973 18107 23 1 4 "Average Difference" CB 86 0.822 -0.332 0.756 18107 24 1 4 "Average Difference" HN 92 0.472 -0.070 0.470 18107 25 1 5 "Average Difference" N 92 2.990 -0.899 2.868 18107 26 1 5 "Average Difference" HA 97 0.360 0.023 0.361 18107 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18107 28 1 5 "Average Difference" CA 92 1.065 -0.281 1.033 18107 29 1 5 "Average Difference" CB 86 0.772 -0.273 0.726 18107 30 1 5 "Average Difference" HN 92 0.434 -0.061 0.432 18107 31 1 6 "Average Difference" N 92 2.916 -0.966 2.766 18107 32 1 6 "Average Difference" HA 97 0.353 0.007 0.355 18107 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18107 34 1 6 "Average Difference" CA 92 1.021 -0.335 0.970 18107 35 1 6 "Average Difference" CB 86 0.893 -0.317 0.839 18107 36 1 6 "Average Difference" HN 92 0.472 -0.053 0.471 18107 37 1 7 "Average Difference" N 92 2.981 -0.976 2.832 18107 38 1 7 "Average Difference" HA 97 0.425 -0.016 0.427 18107 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18107 40 1 7 "Average Difference" CA 92 1.020 -0.358 0.960 18107 41 1 7 "Average Difference" CB 86 0.814 -0.321 0.752 18107 42 1 7 "Average Difference" HN 92 0.445 -0.076 0.441 18107 43 1 8 "Average Difference" N 92 2.964 -1.018 2.799 18107 44 1 8 "Average Difference" HA 97 0.377 -0.004 0.379 18107 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18107 46 1 8 "Average Difference" CA 92 0.940 -0.325 0.887 18107 47 1 8 "Average Difference" CB 86 0.819 -0.321 0.758 18107 48 1 8 "Average Difference" HN 92 0.456 -0.071 0.452 18107 49 1 9 "Average Difference" N 92 2.932 -1.013 2.767 18107 50 1 9 "Average Difference" HA 97 0.338 -0.015 0.339 18107 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18107 52 1 9 "Average Difference" CA 92 1.059 -0.333 1.011 18107 53 1 9 "Average Difference" CB 86 0.791 -0.284 0.742 18107 54 1 9 "Average Difference" HN 92 0.458 -0.088 0.452 18107 55 1 10 "Average Difference" N 92 2.946 -0.967 2.798 18107 56 1 10 "Average Difference" HA 97 0.357 -0.005 0.359 18107 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18107 58 1 10 "Average Difference" CA 92 1.076 -0.303 1.038 18107 59 1 10 "Average Difference" CB 86 0.785 -0.314 0.724 18107 60 1 10 "Average Difference" HN 92 0.447 -0.053 0.446 18107 61 1 11 "Average Difference" N 92 2.928 -1.013 2.762 18107 62 1 11 "Average Difference" HA 97 0.422 -0.022 0.423 18107 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18107 64 1 11 "Average Difference" CA 92 1.023 -0.308 0.981 18107 65 1 11 "Average Difference" CB 86 0.836 -0.325 0.775 18107 66 1 11 "Average Difference" HN 92 0.438 -0.048 0.437 18107 67 1 12 "Average Difference" N 92 2.942 -0.944 2.802 18107 68 1 12 "Average Difference" HA 97 0.357 0.010 0.359 18107 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18107 70 1 12 "Average Difference" CA 92 1.072 -0.315 1.030 18107 71 1 12 "Average Difference" CB 86 0.834 -0.306 0.780 18107 72 1 12 "Average Difference" HN 92 0.432 -0.045 0.432 18107 73 1 13 "Average Difference" N 92 2.929 -1.006 2.765 18107 74 1 13 "Average Difference" HA 97 0.360 -0.015 0.362 18107 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18107 76 1 13 "Average Difference" CA 92 1.047 -0.375 0.983 18107 77 1 13 "Average Difference" CB 86 0.786 -0.313 0.725 18107 78 1 13 "Average Difference" HN 92 0.458 -0.068 0.455 18107 79 1 14 "Average Difference" N 92 2.955 -0.930 2.821 18107 80 1 14 "Average Difference" HA 97 0.414 -0.044 0.414 18107 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18107 82 1 14 "Average Difference" CA 92 1.024 -0.315 0.979 18107 83 1 14 "Average Difference" CB 86 0.848 -0.442 0.728 18107 84 1 14 "Average Difference" HN 92 0.489 -0.079 0.485 18107 85 1 15 "Average Difference" N 92 2.943 -0.889 2.821 18107 86 1 15 "Average Difference" HA 97 0.381 -0.008 0.383 18107 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18107 88 1 15 "Average Difference" CA 92 0.987 -0.299 0.946 18107 89 1 15 "Average Difference" CB 86 0.740 -0.313 0.675 18107 90 1 15 "Average Difference" HN 92 0.489 -0.074 0.486 18107 91 1 16 "Average Difference" N 92 3.070 -1.071 2.893 18107 92 1 16 "Average Difference" HA 97 0.381 -0.005 0.383 18107 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18107 94 1 16 "Average Difference" CA 92 1.032 -0.337 0.981 18107 95 1 16 "Average Difference" CB 86 0.902 -0.318 0.849 18107 96 1 16 "Average Difference" HN 92 0.462 -0.065 0.460 18107 97 1 17 "Average Difference" N 92 2.921 -1.040 2.744 18107 98 1 17 "Average Difference" HA 97 0.375 0.002 0.377 18107 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18107 100 1 17 "Average Difference" CA 92 1.059 -0.315 1.016 18107 101 1 17 "Average Difference" CB 86 0.900 -0.310 0.850 18107 102 1 17 "Average Difference" HN 92 0.467 -0.049 0.467 18107 103 1 18 "Average Difference" N 92 2.903 -0.948 2.759 18107 104 1 18 "Average Difference" HA 97 0.362 -0.008 0.364 18107 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18107 106 1 18 "Average Difference" CA 92 1.017 -0.334 0.966 18107 107 1 18 "Average Difference" CB 86 0.786 -0.358 0.704 18107 108 1 18 "Average Difference" HN 92 0.460 -0.094 0.452 18107 109 1 19 "Average Difference" N 92 2.978 -1.003 2.819 18107 110 1 19 "Average Difference" HA 97 0.373 -0.020 0.375 18107 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18107 112 1 19 "Average Difference" CA 92 1.074 -0.434 0.988 18107 113 1 19 "Average Difference" CB 86 0.765 -0.335 0.691 18107 114 1 19 "Average Difference" HN 92 0.470 -0.071 0.467 18107 115 1 20 "Average Difference" N 92 2.970 -0.883 2.851 18107 116 1 20 "Average Difference" HA 97 0.340 0.003 0.342 18107 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18107 118 1 20 "Average Difference" CA 92 1.027 -0.375 0.961 18107 119 1 20 "Average Difference" CB 86 0.738 -0.302 0.677 18107 120 1 20 "Average Difference" HN 92 0.460 -0.066 0.458 18107 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 18107 _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 THR HA H 19 4.222 4.222 4.123 0.100 18107 2 1 . 1 1 2 2 THR CA C 19 63.013 63.013 65.315 -2.302 18107 3 1 . 1 1 2 2 THR CB C 19 69.504 69.504 68.798 0.706 18107 4 1 . 1 1 3 3 ALA N N 20 125.065 125.065 123.823 1.242 18107 5 1 . 1 1 3 3 ALA HA H 20 4.150 4.150 3.962 0.188 18107 6 1 . 1 1 3 3 ALA CA C 20 54.956 54.956 54.982 -0.026 18107 7 1 . 1 1 3 3 ALA CB C 20 18.997 18.997 18.042 0.955 18107 8 1 . 1 1 3 3 ALA H H 20 8.404 8.404 8.352 0.052 18107 9 1 . 1 1 4 4 THR N N 21 109.840 109.840 111.618 -1.778 18107 10 1 . 1 1 4 4 THR HA H 21 4.235 4.235 3.954 0.281 18107 11 1 . 1 1 4 4 THR CA C 21 64.668 64.668 64.954 -0.286 18107 12 1 . 1 1 4 4 THR CB C 21 68.923 68.923 67.764 1.159 18107 13 1 . 1 1 4 4 THR H H 21 7.910 7.910 8.105 -0.195 18107 14 1 . 1 1 5 5 GLN N N 22 122.037 122.037 120.016 2.021 18107 15 1 . 1 1 5 5 GLN HA H 22 4.051 4.051 4.035 0.016 18107 16 1 . 1 1 5 5 GLN CA C 22 58.164 58.164 58.659 -0.495 18107 17 1 . 1 1 5 5 GLN CB C 22 28.557 28.557 28.595 -0.039 18107 18 1 . 1 1 5 5 GLN H H 22 7.953 7.953 7.691 0.262 18107 19 1 . 1 1 6 6 ARG N N 23 118.944 118.944 119.355 -0.411 18107 20 1 . 1 1 6 6 ARG HA H 23 4.106 4.106 4.107 -0.001 18107 21 1 . 1 1 6 6 ARG CA C 23 58.092 58.092 58.466 -0.374 18107 22 1 . 1 1 6 6 ARG CB C 23 30.147 30.147 30.369 -0.222 18107 23 1 . 1 1 6 6 ARG H H 23 7.922 7.922 7.476 0.446 18107 24 1 . 1 1 7 7 PHE N N 24 116.543 116.543 115.037 1.506 18107 25 1 . 1 1 7 7 PHE H H 24 8.276 8.276 7.638 0.638 18107 26 1 . 1 1 8 8 HIS HA H 25 4.495 4.495 4.641 -0.146 18107 27 1 . 1 1 8 8 HIS CA C 25 60.020 60.020 58.358 1.662 18107 28 1 . 1 1 8 8 HIS CB C 25 30.052 30.052 31.105 -1.053 18107 29 1 . 1 1 9 9 GLU N N 26 118.298 118.298 119.628 -1.330 18107 30 1 . 1 1 9 9 GLU HA H 26 3.990 3.990 4.083 -0.093 18107 31 1 . 1 1 9 9 GLU CA C 26 59.378 59.378 59.901 -0.523 18107 32 1 . 1 1 9 9 GLU CB C 26 29.312 29.312 29.292 0.020 18107 33 1 . 1 1 9 9 GLU H H 26 8.148 8.148 8.549 -0.401 18107 34 1 . 1 1 10 10 ILE N N 27 121.761 121.761 117.442 4.319 18107 35 1 . 1 1 10 10 ILE HA H 27 3.964 3.964 3.745 0.219 18107 36 1 . 1 1 10 10 ILE CA C 27 63.463 63.463 64.424 -0.961 18107 37 1 . 1 1 10 10 ILE CB C 27 37.250 37.250 37.216 0.035 18107 38 1 . 1 1 10 10 ILE H H 27 8.165 8.165 8.159 0.006 18107 39 1 . 1 1 11 11 GLU N N 28 122.042 122.042 121.006 1.036 18107 40 1 . 1 1 11 11 GLU HA H 28 3.837 3.837 3.996 -0.159 18107 41 1 . 1 1 11 11 GLU CA C 28 60.628 60.628 60.059 0.569 18107 42 1 . 1 1 11 11 GLU CB C 28 30.006 30.006 29.368 0.638 18107 43 1 . 1 1 11 11 GLU H H 28 8.541 8.541 8.105 0.436 18107 44 1 . 1 1 12 12 LYS N N 29 117.967 117.967 119.033 -1.066 18107 45 1 . 1 1 12 12 LYS HA H 29 3.942 3.942 4.046 -0.104 18107 46 1 . 1 1 12 12 LYS CA C 29 59.741 59.741 59.404 0.337 18107 47 1 . 1 1 12 12 LYS CB C 29 32.452 32.452 32.210 0.242 18107 48 1 . 1 1 12 12 LYS H H 29 7.517 7.517 7.958 -0.441 18107 49 1 . 1 1 13 13 PHE N N 30 122.144 122.144 120.193 1.951 18107 50 1 . 1 1 13 13 PHE HA H 30 4.429 4.429 4.303 0.126 18107 51 1 . 1 1 13 13 PHE CA C 30 60.787 60.787 61.269 -0.482 18107 52 1 . 1 1 13 13 PHE CB C 30 39.211 39.211 38.739 0.472 18107 53 1 . 1 1 13 13 PHE H H 30 8.066 8.066 8.010 0.056 18107 54 1 . 1 1 14 14 LEU N N 31 119.404 119.404 119.516 -0.112 18107 55 1 . 1 1 14 14 LEU HA H 31 3.734 3.734 3.963 -0.229 18107 56 1 . 1 1 14 14 LEU CA C 31 57.764 57.764 58.606 -0.842 18107 57 1 . 1 1 14 14 LEU CB C 31 41.436 41.436 41.519 -0.083 18107 58 1 . 1 1 14 14 LEU H H 31 8.739 8.739 8.311 0.428 18107 59 1 . 1 1 15 15 LEU N N 32 121.073 121.073 117.884 3.189 18107 60 1 . 1 1 15 15 LEU HA H 32 3.960 3.960 4.088 -0.128 18107 61 1 . 1 1 15 15 LEU CA C 32 58.332 58.332 58.082 0.250 18107 62 1 . 1 1 15 15 LEU CB C 32 41.962 41.962 41.063 0.899 18107 63 1 . 1 1 15 15 LEU H H 32 7.736 7.736 7.650 0.086 18107 64 1 . 1 1 16 16 HIS N N 33 118.629 118.629 119.076 -0.447 18107 65 1 . 1 1 16 16 HIS HA H 33 4.346 4.346 4.341 0.005 18107 66 1 . 1 1 16 16 HIS CA C 33 59.645 59.645 59.212 0.433 18107 67 1 . 1 1 16 16 HIS CB C 33 30.301 30.301 30.195 0.106 18107 68 1 . 1 1 16 16 HIS H H 33 7.681 7.681 8.140 -0.459 18107 69 1 . 1 1 17 17 ILE N N 34 118.602 118.602 120.127 -1.525 18107 70 1 . 1 1 17 17 ILE HA H 34 3.805 3.805 3.748 0.057 18107 71 1 . 1 1 17 17 ILE CA C 34 63.507 63.507 64.888 -1.381 18107 72 1 . 1 1 17 17 ILE CB C 34 37.445 37.445 38.065 -0.620 18107 73 1 . 1 1 17 17 ILE H H 34 8.502 8.502 8.699 -0.197 18107 74 1 . 1 1 18 18 THR N N 35 117.776 117.776 116.178 1.598 18107 75 1 . 1 1 18 18 THR HA H 35 4.116 4.116 3.925 0.191 18107 76 1 . 1 1 18 18 THR CA C 35 68.694 68.694 67.276 1.418 18107 77 1 . 1 1 18 18 THR CB C 35 68.694 68.694 68.446 0.248 18107 78 1 . 1 1 18 18 THR H H 35 7.726 7.726 7.823 -0.097 18107 79 1 . 1 1 19 19 HIS N N 36 118.130 118.130 120.479 -2.349 18107 80 1 . 1 1 19 19 HIS HA H 36 4.401 4.401 4.240 0.161 18107 81 1 . 1 1 19 19 HIS CA C 36 58.786 58.786 59.077 -0.291 18107 82 1 . 1 1 19 19 HIS CB C 36 29.070 29.070 29.739 -0.669 18107 83 1 . 1 1 19 19 HIS H H 36 7.177 7.177 7.887 -0.710 18107 84 1 . 1 1 20 20 GLU N N 37 119.301 119.301 118.687 0.614 18107 85 1 . 1 1 20 20 GLU HA H 37 4.050 4.050 4.054 -0.004 18107 86 1 . 1 1 20 20 GLU CA C 37 59.557 59.557 59.335 0.222 18107 87 1 . 1 1 20 20 GLU CB C 37 30.056 30.056 29.494 0.562 18107 88 1 . 1 1 20 20 GLU H H 37 7.335 7.335 7.921 -0.586 18107 89 1 . 1 1 21 21 VAL N N 38 122.744 122.744 119.694 3.050 18107 90 1 . 1 1 21 21 VAL HA H 38 3.422 3.422 3.637 -0.215 18107 91 1 . 1 1 21 21 VAL CA C 38 67.049 67.049 66.545 0.504 18107 92 1 . 1 1 21 21 VAL CB C 38 31.373 31.373 31.476 -0.103 18107 93 1 . 1 1 21 21 VAL H H 38 8.385 8.385 7.711 0.674 18107 94 1 . 1 1 22 22 ASP N N 39 120.471 120.471 120.211 0.260 18107 95 1 . 1 1 22 22 ASP HA H 39 4.147 4.147 4.398 -0.251 18107 96 1 . 1 1 22 22 ASP CA C 39 57.726 57.726 57.596 0.130 18107 97 1 . 1 1 22 22 ASP CB C 39 40.387 40.387 40.505 -0.118 18107 98 1 . 1 1 22 22 ASP H H 39 8.054 8.054 7.783 0.271 18107 99 1 . 1 1 23 23 ASP N N 40 118.541 118.541 120.146 -1.605 18107 100 1 . 1 1 23 23 ASP HA H 40 4.420 4.420 4.392 0.028 18107 101 1 . 1 1 23 23 ASP CA C 40 57.487 57.487 57.489 -0.002 18107 102 1 . 1 1 23 23 ASP CB C 40 41.174 41.174 41.105 0.069 18107 103 1 . 1 1 23 23 ASP H H 40 7.587 7.587 7.832 -0.245 18107 104 1 . 1 1 24 24 LEU N N 41 123.241 123.241 117.022 6.219 18107 105 1 . 1 1 24 24 LEU HA H 41 4.168 4.168 4.215 -0.047 18107 106 1 . 1 1 24 24 LEU CA C 41 57.707 57.707 58.061 -0.353 18107 107 1 . 1 1 24 24 LEU CB C 41 41.909 41.909 41.174 0.735 18107 108 1 . 1 1 24 24 LEU H H 41 8.032 8.032 8.241 -0.209 18107 109 1 . 1 1 25 25 GLU N N 42 117.508 117.508 119.578 -2.070 18107 110 1 . 1 1 25 25 GLU HA H 42 3.920 3.920 4.062 -0.142 18107 111 1 . 1 1 25 25 GLU CA C 42 59.082 59.082 59.189 -0.107 18107 112 1 . 1 1 25 25 GLU CB C 42 29.863 29.863 29.683 0.180 18107 113 1 . 1 1 25 25 GLU H H 42 8.010 8.010 8.325 -0.315 18107 114 1 . 1 1 26 26 LYS N N 43 117.032 117.032 115.682 1.350 18107 115 1 . 1 1 26 26 LYS HA H 43 4.243 4.243 4.328 -0.085 18107 116 1 . 1 1 26 26 LYS CA C 43 58.251 58.251 57.607 0.644 18107 117 1 . 1 1 26 26 LYS CB C 43 33.507 33.507 32.454 1.052 18107 118 1 . 1 1 26 26 LYS H H 43 7.596 7.596 7.701 -0.105 18107 119 1 . 1 1 27 27 THR N N 44 110.288 110.288 112.351 -2.063 18107 120 1 . 1 1 27 27 THR HA H 44 4.271 4.271 4.415 -0.144 18107 121 1 . 1 1 27 27 THR CA C 44 62.820 62.820 63.466 -0.646 18107 122 1 . 1 1 27 27 THR CB C 44 70.733 70.733 70.325 0.408 18107 123 1 . 1 1 27 27 THR H H 44 8.227 8.227 7.505 0.722 18107 124 1 . 1 1 28 28 GLY N N 45 112.257 112.257 107.872 4.385 18107 125 1 . 1 1 28 28 GLY CA C 45 46.661 46.661 45.939 0.722 18107 126 1 . 1 1 28 28 GLY H H 45 8.727 8.727 8.197 0.530 18107 127 1 . 1 1 29 29 ASN N N 46 118.416 118.416 117.976 0.440 18107 128 1 . 1 1 29 29 ASN HA H 46 4.469 4.469 4.342 0.127 18107 129 1 . 1 1 29 29 ASN CA C 46 54.297 54.297 53.706 0.591 18107 130 1 . 1 1 29 29 ASN CB C 46 39.110 39.110 36.770 2.340 18107 131 1 . 1 1 29 29 ASN H H 46 7.716 7.716 8.352 -0.636 18107 132 1 . 1 1 30 30 LYS N N 47 126.481 126.481 118.624 7.857 18107 133 1 . 1 1 30 30 LYS HA H 47 3.988 3.988 4.114 -0.126 18107 134 1 . 1 1 30 30 LYS CA C 47 59.191 59.191 58.477 0.714 18107 135 1 . 1 1 30 30 LYS CB C 47 32.513 32.513 32.497 0.016 18107 136 1 . 1 1 30 30 LYS H H 47 8.770 8.770 8.421 0.349 18107 137 1 . 1 1 31 31 ASP N N 48 121.710 121.710 114.788 6.922 18107 138 1 . 1 1 31 31 ASP HA H 48 4.467 4.467 4.795 -0.328 18107 139 1 . 1 1 31 31 ASP CA C 48 57.635 57.635 54.311 3.324 18107 140 1 . 1 1 31 31 ASP CB C 48 40.444 40.444 41.459 -1.014 18107 141 1 . 1 1 31 31 ASP H H 48 8.229 8.229 8.107 0.122 18107 142 1 . 1 1 32 32 GLU N N 49 121.695 121.695 121.363 0.332 18107 143 1 . 1 1 32 32 GLU HA H 49 4.357 4.357 4.104 0.253 18107 144 1 . 1 1 32 32 GLU H H 49 8.048 8.048 8.646 -0.598 18107 145 1 . 1 1 33 33 LYS N N 50 120.099 120.099 119.728 0.371 18107 146 1 . 1 1 33 33 LYS HA H 50 3.651 3.651 3.946 -0.295 18107 147 1 . 1 1 33 33 LYS CA C 50 60.837 60.837 60.278 0.559 18107 148 1 . 1 1 33 33 LYS CB C 50 32.967 32.967 31.930 1.037 18107 149 1 . 1 1 33 33 LYS H H 50 7.975 7.975 8.305 -0.330 18107 150 1 . 1 1 34 34 ALA N N 51 118.238 118.238 120.119 -1.881 18107 151 1 . 1 1 34 34 ALA HA H 51 3.989 3.989 4.036 -0.047 18107 152 1 . 1 1 34 34 ALA CA C 51 55.393 55.393 55.056 0.337 18107 153 1 . 1 1 34 34 ALA CB C 51 18.212 18.212 18.289 -0.077 18107 154 1 . 1 1 34 34 ALA H H 51 7.614 7.614 8.353 -0.739 18107 155 1 . 1 1 35 35 ARG N N 52 120.311 120.311 119.396 0.915 18107 156 1 . 1 1 35 35 ARG HA H 52 5.891 5.891 4.104 1.787 18107 157 1 . 1 1 35 35 ARG CA C 52 60.050 60.050 59.110 0.940 18107 158 1 . 1 1 35 35 ARG CB C 52 30.411 30.411 30.389 0.022 18107 159 1 . 1 1 35 35 ARG H H 52 7.883 7.883 7.782 0.101 18107 160 1 . 1 1 36 36 LEU N N 53 119.541 119.541 119.521 0.020 18107 161 1 . 1 1 36 36 LEU HA H 53 3.946 3.946 4.176 -0.230 18107 162 1 . 1 1 36 36 LEU CA C 53 58.489 58.489 58.175 0.314 18107 163 1 . 1 1 36 36 LEU CB C 53 42.442 42.442 41.356 1.086 18107 164 1 . 1 1 36 36 LEU H H 53 8.553 8.553 8.546 0.007 18107 165 1 . 1 1 37 37 LEU N N 54 117.789 117.789 120.285 -2.496 18107 166 1 . 1 1 37 37 LEU HA H 54 4.065 4.065 3.868 0.197 18107 167 1 . 1 1 37 37 LEU CA C 54 58.642 58.642 58.073 0.568 18107 168 1 . 1 1 37 37 LEU CB C 54 41.319 41.319 41.394 -0.075 18107 169 1 . 1 1 37 37 LEU H H 54 8.341 8.341 8.267 0.074 18107 170 1 . 1 1 38 38 ARG N N 55 121.176 121.176 118.467 2.709 18107 171 1 . 1 1 38 38 ARG HA H 55 4.068 4.068 4.059 0.009 18107 172 1 . 1 1 38 38 ARG CA C 55 60.325 60.325 58.740 1.585 18107 173 1 . 1 1 38 38 ARG CB C 55 30.070 30.070 29.711 0.359 18107 174 1 . 1 1 38 38 ARG H H 55 7.864 7.864 7.840 0.024 18107 175 1 . 1 1 39 39 GLU N N 56 119.256 119.256 120.685 -1.429 18107 176 1 . 1 1 39 39 GLU HA H 56 4.060 4.060 4.123 -0.063 18107 177 1 . 1 1 39 39 GLU CA C 56 59.894 59.894 59.726 0.168 18107 178 1 . 1 1 39 39 GLU CB C 56 29.901 29.901 29.489 0.412 18107 179 1 . 1 1 39 39 GLU H H 56 8.390 8.390 7.733 0.657 18107 180 1 . 1 1 40 40 LEU N N 57 120.312 120.312 117.378 2.934 18107 181 1 . 1 1 40 40 LEU HA H 57 4.128 4.128 4.296 -0.168 18107 182 1 . 1 1 40 40 LEU CA C 57 58.621 58.621 58.125 0.496 18107 183 1 . 1 1 40 40 LEU CB C 57 42.229 42.229 41.335 0.894 18107 184 1 . 1 1 40 40 LEU H H 57 8.802 8.802 8.111 0.691 18107 185 1 . 1 1 41 41 THR N N 58 117.791 117.791 117.457 0.334 18107 186 1 . 1 1 41 41 THR HA H 58 4.341 4.341 3.973 0.368 18107 187 1 . 1 1 41 41 THR CA C 58 67.542 67.542 66.948 0.594 18107 188 1 . 1 1 41 41 THR CB C 58 69.157 69.157 68.571 0.586 18107 189 1 . 1 1 41 41 THR H H 58 8.182 8.182 7.917 0.265 18107 190 1 . 1 1 42 42 VAL N N 59 123.554 123.554 120.966 2.588 18107 191 1 . 1 1 42 42 VAL HA H 59 3.723 3.723 3.561 0.162 18107 192 1 . 1 1 42 42 VAL CA C 59 66.855 66.855 66.257 0.598 18107 193 1 . 1 1 42 42 VAL H H 59 7.978 7.978 8.337 -0.359 18107 194 1 . 1 1 43 43 SER N N 60 116.859 116.859 114.772 2.087 18107 195 1 . 1 1 43 43 SER HA H 60 4.155 4.155 1.784 2.371 18107 196 1 . 1 1 43 43 SER CA C 60 63.412 63.412 61.017 2.395 18107 197 1 . 1 1 43 43 SER H H 60 7.715 7.715 7.612 0.103 18107 198 1 . 1 1 44 44 GLU N N 61 124.072 124.072 120.888 3.184 18107 199 1 . 1 1 44 44 GLU HA H 61 3.626 3.626 3.803 -0.177 18107 200 1 . 1 1 44 44 GLU CA C 61 60.502 60.502 59.056 1.446 18107 201 1 . 1 1 44 44 GLU CB C 61 29.794 29.794 29.440 0.354 18107 202 1 . 1 1 44 44 GLU H H 61 8.517 8.517 8.171 0.346 18107 203 1 . 1 1 45 45 ALA N N 62 120.467 120.467 122.062 -1.595 18107 204 1 . 1 1 45 45 ALA HA H 62 4.149 4.149 4.102 0.047 18107 205 1 . 1 1 45 45 ALA CA C 62 55.226 55.226 54.928 0.298 18107 206 1 . 1 1 45 45 ALA CB C 62 17.845 17.845 18.282 -0.437 18107 207 1 . 1 1 45 45 ALA H H 62 7.853 7.853 7.562 0.291 18107 208 1 . 1 1 46 46 PHE N N 63 119.936 119.936 117.008 2.928 18107 209 1 . 1 1 46 46 PHE HA H 63 4.265 4.265 4.246 0.019 18107 210 1 . 1 1 46 46 PHE CA C 63 61.536 61.536 58.665 2.871 18107 211 1 . 1 1 46 46 PHE CB C 63 39.192 39.192 37.554 1.638 18107 212 1 . 1 1 46 46 PHE H H 63 7.946 7.946 7.070 0.877 18107 213 1 . 1 1 47 47 ILE N N 64 122.630 122.630 120.505 2.125 18107 214 1 . 1 1 47 47 ILE HA H 64 3.620 3.620 3.575 0.045 18107 215 1 . 1 1 47 47 ILE CA C 64 66.358 66.358 64.205 2.153 18107 216 1 . 1 1 47 47 ILE CB C 64 38.381 38.381 36.934 1.447 18107 217 1 . 1 1 47 47 ILE H H 64 8.595 8.595 8.056 0.539 18107 218 1 . 1 1 48 48 GLU N N 65 120.257 120.257 119.424 0.833 18107 219 1 . 1 1 48 48 GLU HA H 65 4.589 4.589 3.999 0.590 18107 220 1 . 1 1 48 48 GLU CA C 65 59.356 59.356 59.722 -0.366 18107 221 1 . 1 1 48 48 GLU CB C 65 29.601 29.601 29.293 0.308 18107 222 1 . 1 1 48 48 GLU H H 65 9.078 9.078 8.106 0.972 18107 223 1 . 1 1 49 49 GLY N N 66 108.368 108.368 107.423 0.945 18107 224 1 . 1 1 49 49 GLY CA C 66 47.153 47.153 46.708 0.445 18107 225 1 . 1 1 49 49 GLY H H 66 8.379 8.379 8.302 0.077 18107 226 1 . 1 1 50 50 SER N N 67 119.358 119.358 117.837 1.521 18107 227 1 . 1 1 50 50 SER HA H 67 3.988 3.988 4.058 -0.070 18107 228 1 . 1 1 50 50 SER CA C 67 62.501 62.501 61.422 1.079 18107 229 1 . 1 1 50 50 SER CB C 67 63.441 63.441 63.087 0.354 18107 230 1 . 1 1 50 50 SER H H 67 7.694 7.694 8.159 -0.465 18107 231 1 . 1 1 51 51 ARG N N 68 121.212 121.212 120.544 0.668 18107 232 1 . 1 1 51 51 ARG HA H 68 3.908 3.908 4.123 -0.215 18107 233 1 . 1 1 51 51 ARG CA C 68 61.041 61.041 59.311 1.730 18107 234 1 . 1 1 51 51 ARG CB C 68 30.757 30.757 29.932 0.825 18107 235 1 . 1 1 51 51 ARG H H 68 8.684 8.684 8.022 0.662 18107 236 1 . 1 1 52 52 GLY N N 69 124.556 124.556 106.737 17.819 18107 237 1 . 1 1 52 52 GLY CA C 69 47.263 47.263 46.715 0.548 18107 238 1 . 1 1 52 52 GLY H H 69 8.068 8.068 8.145 -0.077 18107 239 1 . 1 1 53 53 TYR N N 70 123.123 123.123 123.278 -0.155 18107 240 1 . 1 1 53 53 TYR HA H 70 4.069 4.069 4.131 -0.062 18107 241 1 . 1 1 53 53 TYR CA C 70 60.820 60.820 61.381 -0.561 18107 242 1 . 1 1 53 53 TYR CB C 70 37.747 37.747 38.483 -0.736 18107 243 1 . 1 1 53 53 TYR H H 70 7.337 7.337 7.606 -0.269 18107 244 1 . 1 1 54 54 PHE N N 71 117.809 117.809 118.139 -0.330 18107 245 1 . 1 1 54 54 PHE HA H 71 3.667 3.667 3.984 -0.317 18107 246 1 . 1 1 54 54 PHE CA C 71 60.489 60.489 60.334 0.155 18107 247 1 . 1 1 54 54 PHE CB C 71 38.749 38.749 37.856 0.893 18107 248 1 . 1 1 54 54 PHE H H 71 7.965 7.965 7.476 0.489 18107 249 1 . 1 1 55 55 GLN N N 72 115.519 115.519 118.205 -2.686 18107 250 1 . 1 1 55 55 GLN HA H 72 3.858 3.858 4.032 -0.174 18107 251 1 . 1 1 55 55 GLN CA C 72 59.608 59.608 58.998 0.609 18107 252 1 . 1 1 55 55 GLN CB C 72 28.996 28.996 28.513 0.483 18107 253 1 . 1 1 55 55 GLN H H 72 8.522 8.522 7.925 0.597 18107 254 1 . 1 1 56 56 ARG N N 73 118.947 118.947 118.324 0.623 18107 255 1 . 1 1 56 56 ARG HA H 73 3.872 3.872 4.076 -0.204 18107 256 1 . 1 1 56 56 ARG CA C 73 59.921 59.921 58.420 1.501 18107 257 1 . 1 1 56 56 ARG CB C 73 30.086 30.086 29.808 0.278 18107 258 1 . 1 1 56 56 ARG H H 73 7.677 7.677 7.624 0.053 18107 259 1 . 1 1 57 57 GLU N N 74 121.204 121.204 121.244 -0.040 18107 260 1 . 1 1 57 57 GLU HA H 74 3.682 3.682 3.947 -0.265 18107 261 1 . 1 1 57 57 GLU CA C 74 58.934 58.934 59.106 -0.172 18107 262 1 . 1 1 57 57 GLU CB C 74 29.693 29.693 28.944 0.748 18107 263 1 . 1 1 57 57 GLU H H 74 7.897 7.897 8.175 -0.278 18107 264 1 . 1 1 58 58 LEU N N 75 115.348 115.348 119.059 -3.711 18107 265 1 . 1 1 58 58 LEU HA H 75 4.060 4.060 4.164 -0.104 18107 266 1 . 1 1 58 58 LEU CA C 75 56.894 56.894 57.661 -0.766 18107 267 1 . 1 1 58 58 LEU CB C 75 42.330 42.330 42.074 0.256 18107 268 1 . 1 1 58 58 LEU H H 75 7.746 7.746 7.739 0.007 18107 269 1 . 1 1 59 59 LYS N N 76 117.429 117.429 116.646 0.783 18107 270 1 . 1 1 59 59 LYS HA H 76 4.200 4.200 4.288 -0.088 18107 271 1 . 1 1 59 59 LYS CA C 76 56.608 56.608 56.565 0.043 18107 272 1 . 1 1 59 59 LYS CB C 76 32.883 32.883 32.269 0.614 18107 273 1 . 1 1 59 59 LYS H H 76 7.233 7.233 7.861 -0.628 18107 274 1 . 1 1 60 60 ARG N N 77 120.555 120.555 120.157 0.398 18107 275 1 . 1 1 60 60 ARG HA H 77 4.126 4.126 4.076 0.050 18107 276 1 . 1 1 60 60 ARG CA C 77 57.699 57.699 58.674 -0.975 18107 277 1 . 1 1 60 60 ARG CB C 77 31.798 31.798 30.405 1.393 18107 278 1 . 1 1 60 60 ARG H H 77 7.701 7.701 8.014 -0.313 18107 279 1 . 1 1 61 61 THR N N 78 111.768 111.768 107.735 4.033 18107 280 1 . 1 1 61 61 THR HA H 78 4.414 4.414 4.068 0.346 18107 281 1 . 1 1 61 61 THR CA C 78 62.557 62.557 64.368 -1.811 18107 282 1 . 1 1 61 61 THR CB C 78 69.221 69.221 67.759 1.462 18107 283 1 . 1 1 61 61 THR H H 78 8.638 8.638 8.151 0.487 18107 284 1 . 1 1 62 62 ASP N N 79 120.616 120.616 120.216 0.400 18107 285 1 . 1 1 62 62 ASP HA H 79 4.632 4.632 4.823 -0.191 18107 286 1 . 1 1 62 62 ASP CA C 79 52.962 52.962 54.406 -1.444 18107 287 1 . 1 1 62 62 ASP CB C 79 40.246 40.246 41.439 -1.193 18107 288 1 . 1 1 62 62 ASP H H 79 8.465 8.465 8.472 -0.007 18107 289 1 . 1 1 63 63 LEU N N 80 120.063 120.063 117.115 2.948 18107 290 1 . 1 1 63 63 LEU HA H 80 4.245 4.245 4.872 -0.627 18107 291 1 . 1 1 63 63 LEU CA C 80 55.212 55.212 54.059 1.153 18107 292 1 . 1 1 63 63 LEU CB C 80 43.795 43.795 45.408 -1.613 18107 293 1 . 1 1 63 63 LEU H H 80 7.157 7.157 7.543 -0.386 18107 294 1 . 1 1 64 64 ASP N N 81 125.396 125.396 122.008 3.388 18107 295 1 . 1 1 64 64 ASP HA H 81 4.569 4.569 4.943 -0.374 18107 296 1 . 1 1 64 64 ASP CA C 81 53.977 53.977 53.014 0.963 18107 297 1 . 1 1 64 64 ASP CB C 81 42.800 42.800 43.531 -0.731 18107 298 1 . 1 1 64 64 ASP H H 81 8.926 8.926 8.206 0.720 18107 299 1 . 1 1 65 65 LEU N N 82 122.508 122.508 120.567 1.941 18107 300 1 . 1 1 65 65 LEU HA H 82 3.838 3.838 4.179 -0.341 18107 301 1 . 1 1 65 65 LEU CA C 82 58.821 58.821 57.866 0.955 18107 302 1 . 1 1 65 65 LEU CB C 82 42.195 42.195 41.844 0.351 18107 303 1 . 1 1 65 65 LEU H H 82 8.281 8.281 8.287 -0.006 18107 304 1 . 1 1 66 66 LEU N N 83 119.413 119.413 120.353 -0.940 18107 305 1 . 1 1 66 66 LEU HA H 83 4.072 4.072 4.068 0.004 18107 306 1 . 1 1 66 66 LEU CA C 83 58.028 58.028 58.267 -0.239 18107 307 1 . 1 1 66 66 LEU CB C 83 41.351 41.351 40.457 0.894 18107 308 1 . 1 1 66 66 LEU H H 83 8.149 8.149 8.023 0.126 18107 309 1 . 1 1 67 67 GLU N N 84 119.941 119.941 118.210 1.731 18107 310 1 . 1 1 67 67 GLU HA H 84 3.846 3.846 3.732 0.114 18107 311 1 . 1 1 67 67 GLU CA C 84 58.523 58.523 59.352 -0.829 18107 312 1 . 1 1 67 67 GLU CB C 84 30.212 30.212 29.110 1.102 18107 313 1 . 1 1 67 67 GLU H H 84 7.725 7.725 8.442 -0.717 18107 314 1 . 1 1 68 68 LYS N N 85 119.400 119.400 119.746 -0.346 18107 315 1 . 1 1 68 68 LYS HA H 85 3.801 3.801 3.842 -0.041 18107 316 1 . 1 1 68 68 LYS CA C 85 60.820 60.820 59.242 1.578 18107 317 1 . 1 1 68 68 LYS CB C 85 32.915 32.915 32.277 0.638 18107 318 1 . 1 1 68 68 LYS H H 85 8.117 8.117 8.087 0.030 18107 319 1 . 1 1 69 69 PHE N N 86 117.969 117.969 119.453 -1.484 18107 320 1 . 1 1 69 69 PHE HA H 86 4.289 4.289 4.109 0.180 18107 321 1 . 1 1 69 69 PHE CA C 86 60.869 60.869 61.241 -0.372 18107 322 1 . 1 1 69 69 PHE CB C 86 38.755 38.755 38.767 -0.012 18107 323 1 . 1 1 69 69 PHE H H 86 7.975 7.975 8.207 -0.232 18107 324 1 . 1 1 70 70 ASN N N 87 118.904 118.904 118.241 0.663 18107 325 1 . 1 1 70 70 ASN HA H 87 4.361 4.361 4.327 0.034 18107 326 1 . 1 1 70 70 ASN CA C 87 56.268 56.268 56.436 -0.168 18107 327 1 . 1 1 70 70 ASN CB C 87 38.098 38.098 38.346 -0.248 18107 328 1 . 1 1 70 70 ASN H H 87 8.259 8.259 7.387 0.872 18107 329 1 . 1 1 71 71 PHE N N 88 121.068 121.068 118.502 2.566 18107 330 1 . 1 1 71 71 PHE HA H 88 4.266 4.266 3.381 0.885 18107 331 1 . 1 1 71 71 PHE CA C 88 59.787 59.787 58.508 1.279 18107 332 1 . 1 1 71 71 PHE CB C 88 38.030 38.030 37.291 0.739 18107 333 1 . 1 1 71 71 PHE H H 88 8.618 8.618 7.369 1.249 18107 334 1 . 1 1 72 72 GLU N N 89 120.500 120.500 119.694 0.806 18107 335 1 . 1 1 72 72 GLU HA H 89 3.853 3.853 3.936 -0.083 18107 336 1 . 1 1 72 72 GLU CA C 89 60.497 60.497 59.256 1.241 18107 337 1 . 1 1 72 72 GLU CB C 89 29.511 29.511 29.112 0.399 18107 338 1 . 1 1 72 72 GLU H H 89 8.709 8.709 8.672 0.037 18107 339 1 . 1 1 73 73 ALA N N 90 123.117 123.117 121.970 1.147 18107 340 1 . 1 1 73 73 ALA HA H 90 4.038 4.038 4.019 0.019 18107 341 1 . 1 1 73 73 ALA CA C 90 55.001 55.001 54.751 0.250 18107 342 1 . 1 1 73 73 ALA CB C 90 17.948 17.948 17.991 -0.043 18107 343 1 . 1 1 73 73 ALA H H 90 8.158 8.158 7.892 0.266 18107 344 1 . 1 1 74 74 ALA N N 91 122.919 122.919 121.264 1.655 18107 345 1 . 1 1 74 74 ALA HA H 91 3.951 3.951 4.101 -0.150 18107 346 1 . 1 1 74 74 ALA CA C 91 55.279 55.279 54.463 0.816 18107 347 1 . 1 1 74 74 ALA CB C 91 17.666 17.666 18.255 -0.589 18107 348 1 . 1 1 74 74 ALA H H 91 7.841 7.841 8.080 -0.239 18107 349 1 . 1 1 75 75 LEU N N 92 119.956 119.956 119.656 0.300 18107 350 1 . 1 1 75 75 LEU HA H 92 4.047 4.047 4.140 -0.093 18107 351 1 . 1 1 75 75 LEU CA C 92 58.459 58.459 58.163 0.296 18107 352 1 . 1 1 75 75 LEU CB C 92 42.159 42.159 41.819 0.340 18107 353 1 . 1 1 75 75 LEU H H 92 8.091 8.091 8.383 -0.292 18107 354 1 . 1 1 76 76 ALA N N 93 120.763 120.763 120.920 -0.157 18107 355 1 . 1 1 76 76 ALA HA H 93 4.130 4.130 4.111 0.019 18107 356 1 . 1 1 76 76 ALA CA C 93 55.404 55.404 55.271 0.132 18107 357 1 . 1 1 76 76 ALA CB C 93 17.870 17.870 18.164 -0.294 18107 358 1 . 1 1 76 76 ALA H H 93 7.774 7.774 7.872 -0.098 18107 359 1 . 1 1 77 77 THR N N 94 117.510 117.510 115.986 1.524 18107 360 1 . 1 1 77 77 THR HA H 94 4.234 4.234 4.042 0.192 18107 361 1 . 1 1 77 77 THR CA C 94 67.364 67.364 67.398 -0.034 18107 362 1 . 1 1 77 77 THR CB C 94 68.779 68.779 68.757 0.022 18107 363 1 . 1 1 77 77 THR H H 94 8.188 8.188 7.777 0.411 18107 364 1 . 1 1 78 78 GLY N N 95 110.009 110.009 109.614 0.395 18107 365 1 . 1 1 78 78 GLY CA C 95 48.150 48.150 46.750 1.400 18107 366 1 . 1 1 78 78 GLY H H 95 8.547 8.547 8.814 -0.267 18107 367 1 . 1 1 79 79 ASP N N 96 121.634 121.634 122.845 -1.211 18107 368 1 . 1 1 79 79 ASP HA H 96 4.268 4.268 4.433 -0.165 18107 369 1 . 1 1 79 79 ASP CA C 96 57.936 57.936 57.335 0.601 18107 370 1 . 1 1 79 79 ASP CB C 96 40.640 40.640 40.781 -0.141 18107 371 1 . 1 1 79 79 ASP H H 96 8.548 8.548 8.139 0.409 18107 372 1 . 1 1 80 80 LEU N N 97 122.599 122.599 119.551 3.048 18107 373 1 . 1 1 80 80 LEU HA H 97 4.008 4.008 4.112 -0.104 18107 374 1 . 1 1 80 80 LEU CA C 97 58.442 58.442 57.987 0.455 18107 375 1 . 1 1 80 80 LEU CB C 97 41.929 41.929 42.070 -0.141 18107 376 1 . 1 1 80 80 LEU H H 97 7.618 7.618 7.667 -0.049 18107 377 1 . 1 1 81 81 LEU N N 98 119.913 119.913 117.776 2.137 18107 378 1 . 1 1 81 81 LEU HA H 98 4.031 4.031 4.230 -0.199 18107 379 1 . 1 1 81 81 LEU CA C 98 57.808 57.808 57.946 -0.139 18107 380 1 . 1 1 81 81 LEU CB C 98 42.361 42.361 41.287 1.074 18107 381 1 . 1 1 81 81 LEU H H 98 8.224 8.224 7.812 0.412 18107 382 1 . 1 1 82 82 LEU N N 99 118.616 118.616 120.816 -2.200 18107 383 1 . 1 1 82 82 LEU HA H 99 3.975 3.975 3.885 0.090 18107 384 1 . 1 1 82 82 LEU CA C 99 58.069 58.069 57.977 0.092 18107 385 1 . 1 1 82 82 LEU CB C 99 42.165 42.165 41.550 0.615 18107 386 1 . 1 1 82 82 LEU H H 99 8.359 8.359 8.597 -0.238 18107 387 1 . 1 1 83 83 LYS N N 100 118.988 118.988 118.968 0.020 18107 388 1 . 1 1 83 83 LYS HA H 100 3.884 3.884 3.967 -0.083 18107 389 1 . 1 1 83 83 LYS CA C 100 60.267 60.267 59.913 0.354 18107 390 1 . 1 1 83 83 LYS CB C 100 32.171 32.171 32.051 0.120 18107 391 1 . 1 1 83 83 LYS H H 100 7.566 7.566 7.841 -0.275 18107 392 1 . 1 1 84 84 ASP N N 101 121.591 121.591 120.836 0.755 18107 393 1 . 1 1 84 84 ASP HA H 101 4.397 4.397 4.485 -0.088 18107 394 1 . 1 1 84 84 ASP CA C 101 57.696 57.696 56.903 0.793 18107 395 1 . 1 1 84 84 ASP CB C 101 40.405 40.405 40.846 -0.441 18107 396 1 . 1 1 84 84 ASP H H 101 7.743 7.743 7.874 -0.131 18107 397 1 . 1 1 85 85 LEU N N 102 123.215 123.215 120.641 2.574 18107 398 1 . 1 1 85 85 LEU HA H 102 3.850 3.850 3.899 -0.049 18107 399 1 . 1 1 85 85 LEU CA C 102 59.841 59.841 58.300 1.541 18107 400 1 . 1 1 85 85 LEU CB C 102 42.572 42.572 41.834 0.738 18107 401 1 . 1 1 85 85 LEU H H 102 8.760 8.760 8.369 0.391 18107 402 1 . 1 1 86 86 LYS N N 103 119.648 119.648 118.694 0.954 18107 403 1 . 1 1 86 86 LYS HA H 103 4.068 4.068 4.062 0.006 18107 404 1 . 1 1 86 86 LYS CA C 103 58.792 58.792 59.183 -0.391 18107 405 1 . 1 1 86 86 LYS CB C 103 31.132 31.132 31.905 -0.773 18107 406 1 . 1 1 86 86 LYS H H 103 8.883 8.883 7.812 1.071 18107 407 1 . 1 1 87 87 ALA N N 104 122.844 122.844 121.855 0.989 18107 408 1 . 1 1 87 87 ALA HA H 104 4.160 4.160 4.178 -0.018 18107 409 1 . 1 1 87 87 ALA CA C 104 55.300 55.300 54.765 0.535 18107 410 1 . 1 1 87 87 ALA CB C 104 18.020 18.020 18.269 -0.249 18107 411 1 . 1 1 87 87 ALA H H 104 7.721 7.721 7.669 0.052 18107 412 1 . 1 1 88 88 LEU N N 105 120.380 120.380 118.776 1.604 18107 413 1 . 1 1 88 88 LEU HA H 105 3.992 3.992 4.038 -0.046 18107 414 1 . 1 1 88 88 LEU CA C 105 58.186 58.186 58.097 0.089 18107 415 1 . 1 1 88 88 LEU CB C 105 42.804 42.804 41.175 1.629 18107 416 1 . 1 1 88 88 LEU H H 105 7.762 7.762 8.199 -0.437 18107 417 1 . 1 1 89 89 GLN N N 106 118.781 118.781 119.472 -0.691 18107 418 1 . 1 1 89 89 GLN HA H 106 3.585 3.585 3.904 -0.319 18107 419 1 . 1 1 89 89 GLN CA C 106 59.977 59.977 59.525 0.452 18107 420 1 . 1 1 89 89 GLN CB C 106 29.627 29.627 28.496 1.131 18107 421 1 . 1 1 89 89 GLN H H 106 8.658 8.658 8.147 0.511 18107 422 1 . 1 1 90 90 LYS N N 107 118.977 118.977 119.322 -0.345 18107 423 1 . 1 1 90 90 LYS HA H 107 3.948 3.948 4.088 -0.140 18107 424 1 . 1 1 90 90 LYS CA C 107 59.495 59.495 58.816 0.679 18107 425 1 . 1 1 90 90 LYS CB C 107 32.423 32.423 31.880 0.543 18107 426 1 . 1 1 90 90 LYS H H 107 7.786 7.786 7.714 0.072 18107 427 1 . 1 1 91 91 ARG N N 108 117.470 117.470 120.257 -2.787 18107 428 1 . 1 1 91 91 ARG HA H 108 4.003 4.003 4.082 -0.079 18107 429 1 . 1 1 91 91 ARG CA C 108 59.582 59.582 59.535 0.047 18107 430 1 . 1 1 91 91 ARG CB C 108 31.628 31.628 30.240 1.388 18107 431 1 . 1 1 91 91 ARG H H 108 7.469 7.469 7.646 -0.177 18107 432 1 . 1 1 92 92 VAL N N 109 117.865 117.865 119.749 -1.884 18107 433 1 . 1 1 92 92 VAL HA H 109 3.482 3.482 3.719 -0.237 18107 434 1 . 1 1 92 92 VAL CA C 109 66.611 66.611 66.103 0.508 18107 435 1 . 1 1 92 92 VAL CB C 109 32.211 32.211 31.551 0.660 18107 436 1 . 1 1 92 92 VAL H H 109 8.084 8.084 8.455 -0.371 18107 437 1 . 1 1 93 93 GLN N N 110 119.617 119.617 118.187 1.430 18107 438 1 . 1 1 93 93 GLN HA H 110 3.876 3.876 4.058 -0.182 18107 439 1 . 1 1 93 93 GLN CA C 110 59.234 59.234 58.664 0.570 18107 440 1 . 1 1 93 93 GLN CB C 110 29.024 29.024 28.539 0.485 18107 441 1 . 1 1 93 93 GLN H H 110 8.512 8.512 8.388 0.124 18107 442 1 . 1 1 94 94 ASP N N 111 117.490 117.490 119.273 -1.783 18107 443 1 . 1 1 94 94 ASP HA H 111 4.491 4.491 4.566 -0.075 18107 444 1 . 1 1 94 94 ASP CA C 111 55.281 55.281 56.083 -0.802 18107 445 1 . 1 1 94 94 ASP CB C 111 40.835 40.835 41.154 -0.319 18107 446 1 . 1 1 94 94 ASP H H 111 8.194 8.194 8.129 0.065 18107 447 1 . 1 1 95 95 SER N N 112 116.625 116.625 113.544 3.081 18107 448 1 . 1 1 95 95 SER HA H 112 4.288 4.288 4.172 0.116 18107 449 1 . 1 1 95 95 SER CA C 112 59.770 59.770 60.735 -0.965 18107 450 1 . 1 1 95 95 SER CB C 112 63.990 63.990 63.059 0.931 18107 451 1 . 1 1 95 95 SER H H 112 7.479 7.479 8.002 -0.523 18107 stop_ save_