data_17598 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17598 _Entry.PDB_ID 2LC4 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 17598 _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 LEU HA H 2 4.375 4.375 4.940 -0.565 17598 2 1 1 . 1 1 2 2 LEU CA C 2 55.350 55.350 53.950 1.400 17598 3 1 1 . 1 1 2 2 LEU CB C 2 42.048 42.048 44.325 -2.277 17598 4 1 1 . 1 1 3 3 THR N N 3 114.937 114.937 114.028 0.909 17598 5 1 1 . 1 1 3 3 THR HA H 3 4.205 4.205 4.284 -0.079 17598 6 1 1 . 1 1 3 3 THR CA C 3 62.493 62.493 61.846 0.647 17598 7 1 1 . 1 1 3 3 THR CB C 3 69.391 69.391 69.775 -0.384 17598 8 1 1 . 1 1 3 3 THR H H 3 8.316 8.316 8.117 0.199 17598 9 1 1 . 1 1 4 4 VAL N N 4 122.438 122.438 116.640 5.798 17598 10 1 1 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.435 -0.367 17598 11 1 1 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.505 0.987 17598 12 1 1 . 1 1 4 4 VAL CB C 4 32.358 32.358 31.860 0.498 17598 13 1 1 . 1 1 4 4 VAL H H 4 7.953 7.953 8.242 -0.289 17598 14 1 1 . 1 1 5 5 ARG N N 5 124.781 124.781 121.435 3.346 17598 15 1 1 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.610 -0.260 17598 16 1 1 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.759 0.083 17598 17 1 1 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.806 -0.163 17598 18 1 1 . 1 1 5 5 ARG H H 5 8.319 8.319 7.761 0.558 17598 19 1 1 . 1 1 6 6 GLN N N 6 121.656 121.656 119.855 1.801 17598 20 1 1 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.716 0.126 17598 21 1 1 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.935 -1.746 17598 22 1 1 . 1 1 6 6 GLN H H 6 8.373 8.373 8.395 -0.022 17598 23 1 1 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.720 -0.911 17598 24 1 1 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.245 -0.412 17598 25 1 1 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.213 -3.150 17598 26 1 1 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.798 -1.069 17598 27 1 1 . 1 1 8 8 GLY H H 8 8.407 8.407 8.801 -0.394 17598 28 1 1 . 1 1 9 9 ASN N N 9 118.812 118.812 120.978 -2.166 17598 29 1 1 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.747 -0.031 17598 30 1 1 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.317 -0.434 17598 31 1 1 . 1 1 9 9 ASN CB C 9 38.892 38.892 40.241 -1.349 17598 32 1 1 . 1 1 9 9 ASN H H 9 8.337 8.337 8.445 -0.108 17598 33 1 1 . 1 1 10 10 LYS N N 10 122.131 122.131 119.595 2.536 17598 34 1 1 . 1 1 10 10 LYS HA H 10 4.332 4.332 3.987 0.345 17598 35 1 1 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.777 -0.807 17598 36 1 1 . 1 1 10 10 LYS CB C 10 32.574 32.574 31.033 1.541 17598 37 1 1 . 1 1 10 10 LYS H H 10 8.253 8.253 8.342 -0.089 17598 38 1 1 . 1 1 11 11 VAL N N 11 123.026 123.026 116.615 6.411 17598 39 1 1 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.101 0.035 17598 40 1 1 . 1 1 11 11 VAL CA C 11 62.005 62.005 62.274 -0.269 17598 41 1 1 . 1 1 11 11 VAL CB C 11 32.822 32.822 32.939 -0.117 17598 42 1 1 . 1 1 11 11 VAL H H 11 8.428 8.428 7.745 0.683 17598 43 1 1 . 1 1 12 12 ILE N N 12 127.174 127.174 119.435 7.739 17598 44 1 1 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.621 -0.517 17598 45 1 1 . 1 1 12 12 ILE CA C 12 60.002 60.002 59.449 0.553 17598 46 1 1 . 1 1 12 12 ILE CB C 12 37.733 37.733 41.224 -3.491 17598 47 1 1 . 1 1 12 12 ILE H H 12 8.345 8.345 7.829 0.516 17598 48 1 1 . 1 1 13 13 LYS N N 13 122.906 122.906 122.366 0.540 17598 49 1 1 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.210 -0.393 17598 50 1 1 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.542 -0.585 17598 51 1 1 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.626 -0.109 17598 52 1 1 . 1 1 13 13 LYS H H 13 7.662 7.662 8.337 -0.675 17598 53 1 1 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.251 -0.326 17598 54 1 1 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.818 -0.281 17598 55 1 1 . 1 1 14 14 PRO CB C 14 31.593 31.593 32.153 -0.559 17598 56 1 1 . 1 1 15 15 ASP N N 15 121.969 121.969 120.742 1.227 17598 57 1 1 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.730 -0.207 17598 58 1 1 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.992 -0.019 17598 59 1 1 . 1 1 15 15 ASP CB C 15 40.470 40.470 42.972 -2.502 17598 60 1 1 . 1 1 15 15 ASP H H 15 8.607 8.607 8.104 0.503 17598 61 1 1 . 1 1 16 16 GLU N N 16 126.813 126.813 119.762 7.051 17598 62 1 1 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.386 -0.194 17598 63 1 1 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.889 0.762 17598 64 1 1 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.687 -0.480 17598 65 1 1 . 1 1 16 16 GLU H H 16 9.032 9.032 8.658 0.374 17598 66 1 1 . 1 1 17 17 THR N N 17 110.875 110.875 111.928 -1.053 17598 67 1 1 . 1 1 17 17 THR HA H 17 4.313 4.313 4.272 0.041 17598 68 1 1 . 1 1 17 17 THR CA C 17 61.660 61.660 62.038 -0.378 17598 69 1 1 . 1 1 17 17 THR CB C 17 69.392 69.392 69.359 0.033 17598 70 1 1 . 1 1 17 17 THR H H 17 8.453 8.453 7.606 0.847 17598 71 1 1 . 1 1 18 18 ARG N N 18 124.313 124.313 121.422 2.891 17598 72 1 1 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.220 -0.113 17598 73 1 1 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.000 -0.067 17598 74 1 1 . 1 1 18 18 ARG CB C 18 31.021 31.021 29.827 1.194 17598 75 1 1 . 1 1 18 18 ARG H H 18 6.969 6.969 7.779 -0.810 17598 76 1 1 . 1 1 19 19 VAL N N 19 127.750 127.750 120.583 7.167 17598 77 1 1 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.898 -0.105 17598 78 1 1 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.337 -0.807 17598 79 1 1 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.210 -1.189 17598 80 1 1 . 1 1 19 19 VAL H H 19 8.494 8.494 8.175 0.319 17598 81 1 1 . 1 1 20 20 LYS N N 20 129.005 129.005 129.772 -0.767 17598 82 1 1 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.464 -0.382 17598 83 1 1 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.324 1.473 17598 84 1 1 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.014 1.011 17598 85 1 1 . 1 1 20 20 LYS H H 20 8.406 8.406 8.320 0.086 17598 86 1 1 . 1 1 21 21 GLN N N 21 122.125 122.125 122.250 -0.125 17598 87 1 1 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.464 -0.033 17598 88 1 1 . 1 1 21 21 GLN CA C 21 56.697 56.697 54.953 1.744 17598 89 1 1 . 1 1 21 21 GLN CB C 21 29.207 29.207 30.228 -1.021 17598 90 1 1 . 1 1 21 21 GLN H H 21 9.783 9.783 8.454 1.329 17598 91 1 1 . 1 1 22 22 PHE N N 22 126.785 126.785 123.038 3.747 17598 92 1 1 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.382 -0.090 17598 93 1 1 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.664 1.242 17598 94 1 1 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.390 -0.285 17598 95 1 1 . 1 1 22 22 PHE H H 22 9.214 9.214 8.840 0.374 17598 96 1 1 . 1 1 23 23 LEU N N 23 115.846 115.846 118.471 -2.625 17598 97 1 1 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.274 -0.154 17598 98 1 1 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.246 0.112 17598 99 1 1 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.282 -0.185 17598 100 1 1 . 1 1 23 23 LEU H H 23 9.173 9.173 8.232 0.941 17598 101 1 1 . 1 1 24 24 GLU N N 24 117.032 117.032 119.262 -2.230 17598 102 1 1 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.422 0.389 17598 103 1 1 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.148 -1.493 17598 104 1 1 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.276 0.022 17598 105 1 1 . 1 1 24 24 GLU H H 24 7.789 7.789 8.567 -0.778 17598 106 1 1 . 1 1 25 25 GLY N N 25 105.050 105.050 106.039 -0.989 17598 107 1 1 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.289 0.118 17598 108 1 1 . 1 1 25 25 GLY H H 25 7.640 7.640 7.329 0.311 17598 109 1 1 . 1 1 26 26 PHE N N 26 115.467 115.467 118.143 -2.676 17598 110 1 1 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.706 -0.202 17598 111 1 1 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.692 -0.165 17598 112 1 1 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.788 1.329 17598 113 1 1 . 1 1 26 26 PHE H H 26 6.508 6.508 7.391 -0.883 17598 114 1 1 . 1 1 27 27 ASN N N 27 118.006 118.006 118.680 -0.674 17598 115 1 1 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.495 -0.007 17598 116 1 1 . 1 1 27 27 ASN CA C 27 53.029 53.029 55.087 -2.058 17598 117 1 1 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.026 -1.308 17598 118 1 1 . 1 1 27 27 ASN H H 27 8.788 8.788 8.651 0.137 17598 119 1 1 . 1 1 28 28 ILE N N 28 129.126 129.126 120.431 8.695 17598 120 1 1 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.996 -0.308 17598 121 1 1 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.165 1.742 17598 122 1 1 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.517 0.525 17598 123 1 1 . 1 1 28 28 ILE H H 28 9.557 9.557 8.758 0.799 17598 124 1 1 . 1 1 29 29 GLU N N 29 120.068 120.068 117.188 2.880 17598 125 1 1 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.158 0.071 17598 126 1 1 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.178 0.168 17598 127 1 1 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.545 -0.416 17598 128 1 1 . 1 1 29 29 GLU H H 29 9.064 9.064 8.338 0.726 17598 129 1 1 . 1 1 30 30 THR N N 30 109.404 109.404 113.606 -4.202 17598 130 1 1 . 1 1 30 30 THR HA H 30 4.303 4.303 4.111 0.192 17598 131 1 1 . 1 1 30 30 THR CA C 30 62.079 62.079 63.123 -1.044 17598 132 1 1 . 1 1 30 30 THR CB C 30 69.583 69.583 68.618 0.965 17598 133 1 1 . 1 1 30 30 THR H H 30 7.789 7.789 7.818 -0.029 17598 134 1 1 . 1 1 31 31 PHE N N 31 120.250 120.250 118.286 1.964 17598 135 1 1 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.885 0.541 17598 136 1 1 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.892 -0.436 17598 137 1 1 . 1 1 31 31 PHE CB C 31 39.993 39.993 39.814 0.179 17598 138 1 1 . 1 1 31 31 PHE H H 31 7.236 7.236 7.014 0.222 17598 139 1 1 . 1 1 32 32 GLU N N 32 118.531 118.531 120.873 -2.342 17598 140 1 1 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.725 0.062 17598 141 1 1 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.279 -1.350 17598 142 1 1 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.044 0.649 17598 143 1 1 . 1 1 32 32 GLU H H 32 8.644 8.644 8.579 0.065 17598 144 1 1 . 1 1 33 33 MET N N 33 127.438 127.438 127.255 0.183 17598 145 1 1 . 1 1 33 33 MET HA H 33 4.643 4.643 4.182 0.461 17598 146 1 1 . 1 1 33 33 MET CA C 33 56.411 56.411 57.425 -1.014 17598 147 1 1 . 1 1 33 33 MET CB C 33 32.050 32.050 32.780 -0.730 17598 148 1 1 . 1 1 33 33 MET H H 33 9.679 9.679 9.197 0.482 17598 149 1 1 . 1 1 34 34 VAL N N 34 119.176 119.176 127.778 -8.602 17598 150 1 1 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.298 0.476 17598 151 1 1 . 1 1 34 34 VAL CA C 34 60.996 60.996 63.533 -2.538 17598 152 1 1 . 1 1 34 34 VAL CB C 34 32.849 32.849 32.817 0.032 17598 153 1 1 . 1 1 34 34 VAL H H 34 8.897 8.897 8.843 0.054 17598 154 1 1 . 1 1 35 35 GLY N N 35 108.249 108.249 105.154 3.095 17598 155 1 1 . 1 1 35 35 GLY CA C 35 45.184 45.184 44.897 0.287 17598 156 1 1 . 1 1 35 35 GLY H H 35 7.589 7.589 7.891 -0.302 17598 157 1 1 . 1 1 36 36 THR N N 36 110.562 110.562 113.391 -2.829 17598 158 1 1 . 1 1 36 36 THR HA H 36 5.088 5.088 4.728 0.360 17598 159 1 1 . 1 1 36 36 THR CA C 36 60.060 60.060 61.028 -0.967 17598 160 1 1 . 1 1 36 36 THR CB C 36 72.335 72.335 71.340 0.995 17598 161 1 1 . 1 1 36 36 THR H H 36 8.300 8.300 8.084 0.216 17598 162 1 1 . 1 1 37 37 LEU N N 37 122.334 122.334 125.835 -3.501 17598 163 1 1 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.883 -0.178 17598 164 1 1 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.331 1.190 17598 165 1 1 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.541 1.774 17598 166 1 1 . 1 1 37 37 LEU H H 37 8.886 8.886 8.810 0.076 17598 167 1 1 . 1 1 38 38 SER N N 38 119.156 119.156 119.469 -0.313 17598 168 1 1 . 1 1 38 38 SER HA H 38 5.489 5.489 5.356 0.133 17598 169 1 1 . 1 1 38 38 SER CA C 38 56.819 56.819 57.331 -0.512 17598 170 1 1 . 1 1 38 38 SER CB C 38 64.655 64.655 64.498 0.157 17598 171 1 1 . 1 1 38 38 SER H H 38 8.694 8.694 8.513 0.181 17598 172 1 1 . 1 1 39 39 ASN N N 39 124.156 124.156 122.707 1.449 17598 173 1 1 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.263 -1.459 17598 174 1 1 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.640 -0.777 17598 175 1 1 . 1 1 39 39 ASN H H 39 9.068 9.068 8.899 0.169 17598 176 1 1 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.115 0.052 17598 177 1 1 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.617 0.109 17598 178 1 1 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.360 -0.149 17598 179 1 1 . 1 1 41 41 GLN N N 41 114.937 114.937 116.797 -1.860 17598 180 1 1 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.200 0.150 17598 181 1 1 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.742 -0.047 17598 182 1 1 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.686 -0.698 17598 183 1 1 . 1 1 41 41 GLN H H 41 8.399 8.399 8.226 0.173 17598 184 1 1 . 1 1 42 42 GLY N N 42 108.502 108.502 105.806 2.696 17598 185 1 1 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.503 0.068 17598 186 1 1 . 1 1 42 42 GLY H H 42 7.892 7.892 7.547 0.345 17598 187 1 1 . 1 1 43 43 THR N N 43 116.344 116.344 117.051 -0.707 17598 188 1 1 . 1 1 43 43 THR HA H 43 3.749 3.749 5.231 -1.482 17598 189 1 1 . 1 1 43 43 THR CA C 43 69.834 69.834 61.825 8.009 17598 190 1 1 . 1 1 43 43 THR CB C 43 70.316 70.316 69.591 0.725 17598 191 1 1 . 1 1 43 43 THR H H 43 7.762 7.762 7.815 -0.053 17598 192 1 1 . 1 1 44 44 PHE N N 44 123.688 123.688 125.399 -1.711 17598 193 1 1 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.745 0.361 17598 194 1 1 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.033 -0.486 17598 195 1 1 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.322 -0.417 17598 196 1 1 . 1 1 44 44 PHE H H 44 9.283 9.283 9.002 0.281 17598 197 1 1 . 1 1 45 45 ALA N N 45 122.438 122.438 122.315 0.123 17598 198 1 1 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.929 0.022 17598 199 1 1 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.600 -0.490 17598 200 1 1 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.774 -0.137 17598 201 1 1 . 1 1 45 45 ALA H H 45 9.579 9.579 9.223 0.356 17598 202 1 1 . 1 1 46 46 LEU N N 46 121.500 121.500 124.707 -3.207 17598 203 1 1 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.294 -0.151 17598 204 1 1 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.803 -0.821 17598 205 1 1 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.122 -0.704 17598 206 1 1 . 1 1 46 46 LEU H H 46 8.472 8.472 8.935 -0.463 17598 207 1 1 . 1 1 47 47 VAL N N 47 122.125 122.125 123.391 -1.266 17598 208 1 1 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.601 0.314 17598 209 1 1 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.594 -0.171 17598 210 1 1 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.518 -1.690 17598 211 1 1 . 1 1 47 47 VAL H H 47 9.175 9.175 8.970 0.205 17598 212 1 1 . 1 1 48 48 LYS N N 48 129.000 129.000 124.275 4.725 17598 213 1 1 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.915 0.283 17598 214 1 1 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.013 0.713 17598 215 1 1 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.861 -0.828 17598 216 1 1 . 1 1 48 48 LYS H H 48 9.675 9.675 8.208 1.467 17598 217 1 1 . 1 1 49 49 GLY N N 49 113.844 113.844 110.478 3.366 17598 218 1 1 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.709 -0.833 17598 219 1 1 . 1 1 49 49 GLY H H 49 8.792 8.792 8.643 0.149 17598 220 1 1 . 1 1 50 50 ALA N N 50 123.844 123.844 121.894 1.950 17598 221 1 1 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.416 0.036 17598 222 1 1 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.821 0.161 17598 223 1 1 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.026 -0.076 17598 224 1 1 . 1 1 50 50 ALA H H 50 8.963 8.963 8.766 0.197 17598 225 1 1 . 1 1 51 51 GLY N N 51 105.406 105.406 103.346 2.060 17598 226 1 1 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.260 0.284 17598 227 1 1 . 1 1 51 51 GLY H H 51 8.582 8.582 8.289 0.293 17598 228 1 1 . 1 1 52 52 GLY N N 52 108.644 108.644 106.756 1.888 17598 229 1 1 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.752 0.397 17598 230 1 1 . 1 1 52 52 GLY H H 52 7.692 7.692 7.853 -0.161 17598 231 1 1 . 1 1 53 53 VAL N N 53 121.656 121.656 116.318 5.338 17598 232 1 1 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.683 -0.096 17598 233 1 1 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.664 2.080 17598 234 1 1 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.977 -1.010 17598 235 1 1 . 1 1 53 53 VAL H H 53 7.928 7.928 8.393 -0.465 17598 236 1 1 . 1 1 54 54 HIS N N 54 128.219 128.219 124.354 3.865 17598 237 1 1 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.032 -0.409 17598 238 1 1 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.244 0.622 17598 239 1 1 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.361 0.942 17598 240 1 1 . 1 1 54 54 HIS H H 54 9.188 9.188 8.888 0.300 17598 241 1 1 . 1 1 55 55 ARG N N 55 122.125 122.125 122.655 -0.530 17598 242 1 1 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.426 -0.399 17598 243 1 1 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.862 0.422 17598 244 1 1 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.768 -2.011 17598 245 1 1 . 1 1 55 55 ARG H H 55 8.816 8.816 8.723 0.093 17598 246 1 1 . 1 1 56 56 VAL N N 56 124.229 124.229 119.060 5.169 17598 247 1 1 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.794 -0.086 17598 248 1 1 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.364 0.318 17598 249 1 1 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.260 -0.793 17598 250 1 1 . 1 1 56 56 VAL H H 56 9.444 9.444 8.904 0.540 17598 251 1 1 . 1 1 57 57 ARG N N 57 124.554 124.554 120.040 4.514 17598 252 1 1 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.763 0.060 17598 253 1 1 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.421 -0.097 17598 254 1 1 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.421 1.564 17598 255 1 1 . 1 1 57 57 ARG H H 57 9.124 9.124 8.806 0.318 17598 256 1 1 . 1 1 58 58 VAL N N 58 120.250 120.250 119.946 0.304 17598 257 1 1 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.565 -0.210 17598 258 1 1 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.740 0.706 17598 259 1 1 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.183 0.749 17598 260 1 1 . 1 1 58 58 VAL H H 58 8.327 8.327 8.403 -0.076 17598 261 1 1 . 1 1 59 59 GLY N N 59 117.437 117.437 116.358 1.079 17598 262 1 1 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.577 -0.001 17598 263 1 1 . 1 1 59 59 GLY H H 59 9.097 9.097 8.579 0.518 17598 264 1 1 . 1 1 60 60 ASP N N 60 121.031 121.031 122.269 -1.238 17598 265 1 1 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.652 0.298 17598 266 1 1 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.291 -0.949 17598 267 1 1 . 1 1 60 60 ASP CB C 60 41.758 41.758 42.242 -0.484 17598 268 1 1 . 1 1 60 60 ASP H H 60 7.800 7.800 8.088 -0.288 17598 269 1 1 . 1 1 61 61 TYR N N 61 115.406 115.406 115.710 -0.304 17598 270 1 1 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.442 0.148 17598 271 1 1 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.461 0.331 17598 272 1 1 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.000 0.570 17598 273 1 1 . 1 1 61 61 TYR H H 61 7.834 7.834 8.368 -0.534 17598 274 1 1 . 1 1 62 62 LEU N N 62 117.750 117.750 116.170 1.580 17598 275 1 1 . 1 1 62 62 LEU HA H 62 4.301 4.301 5.059 -0.758 17598 276 1 1 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.281 -0.283 17598 277 1 1 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.851 0.919 17598 278 1 1 . 1 1 62 62 LEU H H 62 9.362 9.362 8.791 0.571 17598 279 1 1 . 1 1 63 63 GLY N N 63 107.303 107.303 107.558 -0.255 17598 280 1 1 . 1 1 63 63 GLY CA C 63 44.288 44.288 44.986 -0.698 17598 281 1 1 . 1 1 63 63 GLY H H 63 7.945 7.945 8.055 -0.110 17598 282 1 1 . 1 1 64 64 ARG N N 64 113.687 113.687 121.035 -7.348 17598 283 1 1 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.227 0.214 17598 284 1 1 . 1 1 64 64 ARG CA C 64 57.269 57.269 58.042 -0.773 17598 285 1 1 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.323 0.423 17598 286 1 1 . 1 1 64 64 ARG H H 64 8.424 8.424 8.503 -0.079 17598 287 1 1 . 1 1 65 65 ASN N N 65 121.626 121.626 116.051 5.575 17598 288 1 1 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.718 0.781 17598 289 1 1 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.673 0.682 17598 290 1 1 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.168 1.348 17598 291 1 1 . 1 1 65 65 ASN H H 65 9.529 9.529 7.898 1.631 17598 292 1 1 . 1 1 66 66 ASP N N 66 116.656 116.656 119.327 -2.671 17598 293 1 1 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.329 -0.430 17598 294 1 1 . 1 1 66 66 ASP CA C 66 54.788 54.788 54.963 -0.175 17598 295 1 1 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.727 -0.307 17598 296 1 1 . 1 1 66 66 ASP H H 66 9.397 9.397 7.907 1.490 17598 297 1 1 . 1 1 67 67 GLY N N 67 100.587 100.587 105.581 -4.994 17598 298 1 1 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.327 2.684 17598 299 1 1 . 1 1 67 67 GLY H H 67 7.424 7.424 8.158 -0.734 17598 300 1 1 . 1 1 68 68 LYS N N 68 130.952 130.952 127.308 3.644 17598 301 1 1 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.678 -0.830 17598 302 1 1 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.582 -0.603 17598 303 1 1 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.484 -0.027 17598 304 1 1 . 1 1 68 68 LYS H H 68 8.121 8.121 8.877 -0.755 17598 305 1 1 . 1 1 69 69 VAL N N 69 126.813 126.813 125.666 1.147 17598 306 1 1 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.979 0.133 17598 307 1 1 . 1 1 69 69 VAL CA C 69 63.283 63.283 62.940 0.343 17598 308 1 1 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.480 0.254 17598 309 1 1 . 1 1 69 69 VAL H H 69 9.113 9.113 8.519 0.594 17598 310 1 1 . 1 1 70 70 VAL N N 70 122.594 122.594 124.000 -1.406 17598 311 1 1 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.566 0.039 17598 312 1 1 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.868 -0.971 17598 313 1 1 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.669 -1.026 17598 314 1 1 . 1 1 70 70 VAL H H 70 8.968 8.968 8.684 0.284 17598 315 1 1 . 1 1 71 71 GLY N N 71 110.562 110.562 109.530 1.032 17598 316 1 1 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.373 1.826 17598 317 1 1 . 1 1 71 71 GLY H H 71 7.638 7.638 8.120 -0.482 17598 318 1 1 . 1 1 72 72 ILE N N 72 123.063 123.063 122.388 0.675 17598 319 1 1 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.315 0.144 17598 320 1 1 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.755 0.619 17598 321 1 1 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.802 2.579 17598 322 1 1 . 1 1 72 72 ILE H H 72 8.404 8.404 8.409 -0.005 17598 323 1 1 . 1 1 73 73 SER N N 73 123.531 123.531 123.234 0.297 17598 324 1 1 . 1 1 73 73 SER HA H 73 4.723 4.723 4.857 -0.134 17598 325 1 1 . 1 1 73 73 SER CA C 73 56.220 56.220 56.618 -0.398 17598 326 1 1 . 1 1 73 73 SER CB C 73 65.450 65.450 64.401 1.049 17598 327 1 1 . 1 1 73 73 SER H H 73 8.801 8.801 8.858 -0.057 17598 328 1 1 . 1 1 74 74 GLU N N 74 116.656 116.656 117.493 -0.837 17598 329 1 1 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.383 -0.079 17598 330 1 1 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.894 -1.164 17598 331 1 1 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.310 -1.208 17598 332 1 1 . 1 1 74 74 GLU H H 74 8.537 8.537 8.477 0.060 17598 333 1 1 . 1 1 75 75 GLY N N 75 102.989 102.989 106.233 -3.244 17598 334 1 1 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.968 0.050 17598 335 1 1 . 1 1 75 75 GLY H H 75 8.124 8.124 8.008 0.116 17598 336 1 1 . 1 1 76 76 LYS N N 76 120.094 120.094 118.138 1.956 17598 337 1 1 . 1 1 76 76 LYS HA H 76 5.261 5.261 4.927 0.334 17598 338 1 1 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.801 0.800 17598 339 1 1 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.219 1.192 17598 340 1 1 . 1 1 76 76 LYS H H 76 7.546 7.546 7.621 -0.075 17598 341 1 1 . 1 1 77 77 ILE N N 77 121.344 121.344 122.642 -1.298 17598 342 1 1 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.575 -0.025 17598 343 1 1 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.366 -0.519 17598 344 1 1 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.320 0.296 17598 345 1 1 . 1 1 77 77 ILE H H 77 8.776 8.776 8.698 0.078 17598 346 1 1 . 1 1 78 78 ASP N N 78 126.813 126.813 129.286 -2.473 17598 347 1 1 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.136 0.065 17598 348 1 1 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.345 -0.225 17598 349 1 1 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.556 1.396 17598 350 1 1 . 1 1 78 78 ASP H H 78 8.964 8.964 8.351 0.613 17598 351 1 1 . 1 1 79 79 VAL N N 79 124.156 124.156 116.765 7.391 17598 352 1 1 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.183 -0.004 17598 353 1 1 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.616 -0.342 17598 354 1 1 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.206 -0.127 17598 355 1 1 . 1 1 79 79 VAL H H 79 9.060 9.060 9.061 -0.001 17598 356 1 1 . 1 1 80 80 ILE N N 80 126.656 126.656 124.053 2.603 17598 357 1 1 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.611 -0.116 17598 358 1 1 . 1 1 80 80 ILE CA C 80 61.183 61.183 58.883 2.300 17598 359 1 1 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.726 1.561 17598 360 1 1 . 1 1 80 80 ILE H H 80 8.812 8.812 8.904 -0.092 17598 361 1 1 . 1 1 81 81 GLU N N 81 126.656 126.656 128.095 -1.439 17598 362 1 1 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.926 -0.304 17598 363 1 1 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.801 0.273 17598 364 1 1 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.044 -0.401 17598 365 1 1 . 1 1 81 81 GLU H H 81 8.283 8.283 8.664 -0.381 17598 366 1 1 . 1 1 82 82 ILE N N 82 120.094 120.094 121.860 -1.766 17598 367 1 1 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.811 0.222 17598 368 1 1 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.198 1.030 17598 369 1 1 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.487 1.551 17598 370 1 1 . 1 1 82 82 ILE H H 82 8.252 8.252 8.572 -0.320 17598 371 1 1 . 1 1 83 83 VAL N N 83 120.094 120.094 120.916 -0.822 17598 372 1 1 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.150 0.072 17598 373 1 1 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.836 -0.613 17598 374 1 1 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.565 -0.972 17598 375 1 1 . 1 1 83 83 VAL H H 83 9.201 9.201 9.000 0.201 17598 376 1 1 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.259 0.116 17598 377 1 1 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.670 -0.628 17598 378 1 1 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.209 -0.351 17598 379 1 1 . 1 1 85 85 ASP N N 85 120.250 120.250 120.359 -0.109 17598 380 1 1 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.546 -0.041 17598 381 1 1 . 1 1 85 85 ASP CA C 85 52.497 52.497 53.670 -1.173 17598 382 1 1 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.821 -0.587 17598 383 1 1 . 1 1 85 85 ASP H H 85 8.083 8.083 8.452 -0.369 17598 384 1 1 . 1 1 86 86 GLY N N 86 109.156 109.156 107.110 2.046 17598 385 1 1 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.321 -0.269 17598 386 1 1 . 1 1 86 86 GLY H H 86 8.160 8.160 8.398 -0.238 17598 387 1 1 . 1 1 87 87 GLU N N 87 120.719 120.719 120.061 0.658 17598 388 1 1 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.505 -0.064 17598 389 1 1 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.167 -1.188 17598 390 1 1 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.944 -0.782 17598 391 1 1 . 1 1 87 87 GLU H H 87 8.663 8.663 8.461 0.202 17598 392 1 1 . 1 1 88 88 GLY N N 88 109.312 109.312 107.569 1.743 17598 393 1 1 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.669 0.096 17598 394 1 1 . 1 1 88 88 GLY H H 88 8.417 8.417 7.971 0.446 17598 395 1 1 . 1 1 89 89 ASN N N 89 119.625 119.625 118.075 1.550 17598 396 1 1 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.744 0.253 17598 397 1 1 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.873 -1.903 17598 398 1 1 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.388 0.700 17598 399 1 1 . 1 1 89 89 ASN H H 89 8.331 8.331 7.967 0.364 17598 400 1 1 . 1 1 90 90 TRP N N 90 121.188 121.188 118.451 2.737 17598 401 1 1 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.272 -0.111 17598 402 1 1 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.694 0.076 17598 403 1 1 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.932 0.329 17598 404 1 1 . 1 1 90 90 TRP H H 90 8.538 8.538 8.202 0.336 17598 405 1 1 . 1 1 91 91 LEU N N 91 121.031 121.031 118.249 2.782 17598 406 1 1 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.853 -0.038 17598 407 1 1 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.973 0.383 17598 408 1 1 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.634 -1.391 17598 409 1 1 . 1 1 91 91 LEU H H 91 9.518 9.518 9.123 0.395 17598 410 1 1 . 1 1 92 92 GLU N N 92 119.156 119.156 120.219 -1.063 17598 411 1 1 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.529 0.523 17598 412 1 1 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.772 -1.412 17598 413 1 1 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.687 0.715 17598 414 1 1 . 1 1 92 92 GLU H H 92 8.490 8.490 8.658 -0.168 17598 415 1 1 . 1 1 93 93 ARG N N 93 124.938 124.938 123.030 1.908 17598 416 1 1 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.791 0.273 17598 417 1 1 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.264 0.430 17598 418 1 1 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.495 2.666 17598 419 1 1 . 1 1 93 93 ARG H H 93 9.283 9.283 8.670 0.613 17598 420 1 1 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.709 0.534 17598 421 1 1 . 1 1 94 94 PRO CA C 94 62.253 62.253 63.011 -0.758 17598 422 1 1 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.576 0.999 17598 423 1 1 . 1 1 95 95 ARG N N 95 120.416 120.416 126.174 -5.758 17598 424 1 1 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.713 -0.017 17598 425 1 1 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.880 -0.257 17598 426 1 1 . 1 1 95 95 ARG CB C 95 33.392 33.392 34.276 -0.884 17598 427 1 1 . 1 1 95 95 ARG H H 95 9.115 9.115 8.817 0.298 17598 428 1 1 . 1 1 96 96 SER N N 96 115.719 115.719 118.503 -2.784 17598 429 1 1 . 1 1 96 96 SER HA H 96 5.781 5.781 5.294 0.487 17598 430 1 1 . 1 1 96 96 SER CA C 96 56.824 56.824 56.583 0.241 17598 431 1 1 . 1 1 96 96 SER CB C 96 65.906 65.906 64.300 1.606 17598 432 1 1 . 1 1 96 96 SER H H 96 8.676 8.676 8.597 0.079 17598 433 1 1 . 1 1 97 97 LEU N N 97 126.188 126.188 127.607 -1.419 17598 434 1 1 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.671 0.202 17598 435 1 1 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.764 1.270 17598 436 1 1 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.255 1.676 17598 437 1 1 . 1 1 97 97 LEU H H 97 9.030 9.030 9.085 -0.055 17598 438 1 1 . 1 1 98 98 THR N N 98 113.687 113.687 115.590 -1.903 17598 439 1 1 . 1 1 98 98 THR HA H 98 4.869 4.869 4.501 0.368 17598 440 1 1 . 1 1 98 98 THR CA C 98 60.265 60.265 60.527 -0.262 17598 441 1 1 . 1 1 98 98 THR CB C 98 70.650 70.650 70.042 0.608 17598 442 1 1 . 1 1 98 98 THR H H 98 8.410 8.410 8.279 0.131 17598 443 1 1 . 1 1 99 99 LEU N N 99 126.344 126.344 123.522 2.822 17598 444 1 1 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.197 -0.112 17598 445 1 1 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.143 -0.372 17598 446 1 1 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.951 0.102 17598 447 1 1 . 1 1 99 99 LEU H H 99 7.806 7.806 7.878 -0.072 17598 448 1 1 . 1 1 100 100 LYS N N 100 128.063 128.063 126.546 1.517 17598 449 1 1 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.131 0.264 17598 450 1 1 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.766 -0.850 17598 451 1 1 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.907 0.153 17598 452 1 1 . 1 1 100 100 LYS H H 100 8.816 8.816 8.662 0.154 17598 453 1 1 . 1 1 101 101 GLU N N 101 123.531 123.531 120.519 3.012 17598 454 1 1 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.432 -0.443 17598 455 1 1 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.129 0.841 17598 456 1 1 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.354 0.235 17598 457 1 1 . 1 1 101 101 GLU H H 101 8.323 8.323 8.562 -0.239 17598 458 1 1 . 1 1 102 102 ARG N N 102 122.965 122.965 121.189 1.776 17598 459 1 1 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.398 -0.031 17598 460 1 1 . 1 1 102 102 ARG CA C 102 55.774 55.774 57.327 -1.553 17598 461 1 1 . 1 1 102 102 ARG CB C 102 30.559 30.559 29.886 0.673 17598 462 1 1 . 1 1 102 102 ARG H H 102 8.414 8.414 8.885 -0.471 17598 463 1 1 . 1 1 103 103 SER N N 103 117.435 117.435 118.372 -0.937 17598 464 1 1 . 1 1 103 103 SER HA H 103 4.431 4.431 5.072 -0.641 17598 465 1 1 . 1 1 103 103 SER CA C 103 58.079 58.079 57.015 1.064 17598 466 1 1 . 1 1 103 103 SER CB C 103 63.554 63.554 64.934 -1.380 17598 467 1 1 . 1 1 103 103 SER H H 103 8.423 8.423 8.668 -0.245 17598 468 1 1 . 1 1 104 104 LEU N N 104 124.423 124.423 117.982 6.441 17598 469 1 1 . 1 1 104 104 LEU HA H 104 4.324 4.324 5.051 -0.727 17598 470 1 1 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.144 0.980 17598 471 1 1 . 1 1 104 104 LEU CB C 104 41.989 41.989 44.355 -2.366 17598 472 1 1 . 1 1 104 104 LEU H H 104 8.369 8.369 8.992 -0.623 17598 473 1 1 . 1 1 105 105 GLU N N 105 120.875 120.875 119.883 0.992 17598 474 1 1 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.620 -0.606 17598 475 1 1 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.268 2.677 17598 476 1 1 . 1 1 105 105 GLU CB C 105 29.846 29.846 31.271 -1.425 17598 477 1 1 . 1 1 105 105 GLU H H 105 8.249 8.249 8.804 -0.555 17598 478 1 1 . 1 1 106 106 HIS N N 106 120.719 120.719 119.451 1.268 17598 479 1 1 . 1 1 106 106 HIS CA C 106 56.608 56.608 56.148 0.460 17598 480 1 1 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.518 1.930 17598 481 1 1 . 1 1 106 106 HIS H H 106 8.274 8.274 8.291 -0.017 17598 482 1 1 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.835 -0.249 17598 483 1 1 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.559 0.245 17598 484 1 1 . 1 1 107 107 HIS CB C 107 30.424 30.424 31.174 -0.750 17598 485 1 1 . 1 1 108 108 HIS N N 108 125.843 125.843 119.586 6.257 17598 486 1 1 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.490 1.615 17598 487 1 1 . 1 1 108 108 HIS CB C 108 30.424 30.424 30.870 -0.446 17598 488 1 1 . 1 1 108 108 HIS H H 108 7.941 7.941 8.027 -0.086 17598 489 1 2 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.573 -0.198 17598 490 1 2 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.601 0.749 17598 491 1 2 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.197 -0.149 17598 492 1 2 . 1 1 3 3 THR N N 3 114.937 114.937 118.825 -3.888 17598 493 1 2 . 1 1 3 3 THR HA H 3 4.205 4.205 4.552 -0.347 17598 494 1 2 . 1 1 3 3 THR CA C 3 62.493 62.493 61.656 0.837 17598 495 1 2 . 1 1 3 3 THR CB C 3 69.391 69.391 70.690 -1.299 17598 496 1 2 . 1 1 3 3 THR H H 3 8.316 8.316 8.272 0.044 17598 497 1 2 . 1 1 4 4 VAL N N 4 122.438 122.438 124.380 -1.942 17598 498 1 2 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.009 0.059 17598 499 1 2 . 1 1 4 4 VAL CA C 4 62.493 62.493 63.174 -0.681 17598 500 1 2 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.603 -0.245 17598 501 1 2 . 1 1 4 4 VAL H H 4 7.953 7.953 8.315 -0.362 17598 502 1 2 . 1 1 5 5 ARG N N 5 124.781 124.781 127.178 -2.397 17598 503 1 2 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.393 -0.043 17598 504 1 2 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.124 -0.282 17598 505 1 2 . 1 1 5 5 ARG CB C 5 30.643 30.643 31.592 -0.949 17598 506 1 2 . 1 1 5 5 ARG H H 5 8.319 8.319 8.450 -0.131 17598 507 1 2 . 1 1 6 6 GLN N N 6 121.656 121.656 119.449 2.207 17598 508 1 2 . 1 1 6 6 GLN CA C 6 55.842 55.842 56.360 -0.518 17598 509 1 2 . 1 1 6 6 GLN CB C 6 29.189 29.189 27.649 1.540 17598 510 1 2 . 1 1 6 6 GLN H H 6 8.373 8.373 8.376 -0.003 17598 511 1 2 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.266 -0.457 17598 512 1 2 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.897 -2.065 17598 513 1 2 . 1 1 7 7 LYS CB C 7 30.063 30.063 32.725 -2.662 17598 514 1 2 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.565 0.164 17598 515 1 2 . 1 1 8 8 GLY H H 8 8.407 8.407 8.389 0.018 17598 516 1 2 . 1 1 9 9 ASN N N 9 118.812 118.812 118.867 -0.055 17598 517 1 2 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.635 0.081 17598 518 1 2 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.833 -0.950 17598 519 1 2 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.125 -0.233 17598 520 1 2 . 1 1 9 9 ASN H H 9 8.337 8.337 8.472 -0.135 17598 521 1 2 . 1 1 10 10 LYS N N 10 122.131 122.131 119.824 2.307 17598 522 1 2 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.570 -0.238 17598 523 1 2 . 1 1 10 10 LYS CA C 10 55.970 55.970 54.764 1.206 17598 524 1 2 . 1 1 10 10 LYS CB C 10 32.574 32.574 33.714 -1.140 17598 525 1 2 . 1 1 10 10 LYS H H 10 8.253 8.253 8.344 -0.091 17598 526 1 2 . 1 1 11 11 VAL N N 11 123.026 123.026 119.136 3.890 17598 527 1 2 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.410 -0.274 17598 528 1 2 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.414 0.591 17598 529 1 2 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.448 -1.626 17598 530 1 2 . 1 1 11 11 VAL H H 11 8.428 8.428 8.270 0.158 17598 531 1 2 . 1 1 12 12 ILE N N 12 127.174 127.174 119.154 8.020 17598 532 1 2 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.694 -0.590 17598 533 1 2 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.287 -0.285 17598 534 1 2 . 1 1 12 12 ILE CB C 12 37.733 37.733 39.215 -1.482 17598 535 1 2 . 1 1 12 12 ILE H H 12 8.345 8.345 8.331 0.014 17598 536 1 2 . 1 1 13 13 LYS N N 13 122.906 122.906 122.970 -0.064 17598 537 1 2 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.579 -0.762 17598 538 1 2 . 1 1 13 13 LYS CA C 13 53.957 53.957 55.418 -1.461 17598 539 1 2 . 1 1 13 13 LYS CB C 13 32.517 32.517 31.498 1.019 17598 540 1 2 . 1 1 13 13 LYS H H 13 7.662 7.662 8.478 -0.816 17598 541 1 2 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.151 -0.226 17598 542 1 2 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.798 -0.261 17598 543 1 2 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.877 -0.284 17598 544 1 2 . 1 1 15 15 ASP N N 15 121.969 121.969 117.717 4.252 17598 545 1 2 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.696 -0.173 17598 546 1 2 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.917 0.057 17598 547 1 2 . 1 1 15 15 ASP CB C 15 40.470 40.470 42.974 -2.504 17598 548 1 2 . 1 1 15 15 ASP H H 15 8.607 8.607 8.245 0.362 17598 549 1 2 . 1 1 16 16 GLU N N 16 126.813 126.813 120.003 6.810 17598 550 1 2 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.440 -0.248 17598 551 1 2 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.984 0.666 17598 552 1 2 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.263 -0.056 17598 553 1 2 . 1 1 16 16 GLU H H 16 9.032 9.032 8.665 0.367 17598 554 1 2 . 1 1 17 17 THR N N 17 110.875 110.875 111.883 -1.008 17598 555 1 2 . 1 1 17 17 THR HA H 17 4.313 4.313 4.363 -0.050 17598 556 1 2 . 1 1 17 17 THR CA C 17 61.660 61.660 62.027 -0.367 17598 557 1 2 . 1 1 17 17 THR CB C 17 69.392 69.392 69.249 0.143 17598 558 1 2 . 1 1 17 17 THR H H 17 8.453 8.453 7.960 0.493 17598 559 1 2 . 1 1 18 18 ARG N N 18 124.313 124.313 122.094 2.219 17598 560 1 2 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.246 -0.139 17598 561 1 2 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.867 0.065 17598 562 1 2 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.454 0.567 17598 563 1 2 . 1 1 18 18 ARG H H 18 6.969 6.969 7.558 -0.589 17598 564 1 2 . 1 1 19 19 VAL N N 19 127.750 127.750 120.187 7.563 17598 565 1 2 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.044 -0.251 17598 566 1 2 . 1 1 19 19 VAL CA C 19 62.530 62.530 62.829 -0.299 17598 567 1 2 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.468 -1.446 17598 568 1 2 . 1 1 19 19 VAL H H 19 8.494 8.494 8.275 0.219 17598 569 1 2 . 1 1 20 20 LYS N N 20 129.005 129.005 128.587 0.418 17598 570 1 2 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.768 -0.686 17598 571 1 2 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.557 2.240 17598 572 1 2 . 1 1 20 20 LYS CB C 20 33.025 33.025 31.664 1.361 17598 573 1 2 . 1 1 20 20 LYS H H 20 8.406 8.406 8.404 0.002 17598 574 1 2 . 1 1 21 21 GLN N N 21 122.125 122.125 122.455 -0.330 17598 575 1 2 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.138 0.293 17598 576 1 2 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.837 -0.140 17598 577 1 2 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.594 -0.387 17598 578 1 2 . 1 1 21 21 GLN H H 21 9.783 9.783 8.157 1.626 17598 579 1 2 . 1 1 22 22 PHE N N 22 126.785 126.785 123.271 3.514 17598 580 1 2 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.218 0.074 17598 581 1 2 . 1 1 22 22 PHE CA C 22 61.906 61.906 61.103 0.803 17598 582 1 2 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.300 -0.195 17598 583 1 2 . 1 1 22 22 PHE H H 22 9.214 9.214 8.759 0.455 17598 584 1 2 . 1 1 23 23 LEU N N 23 115.846 115.846 116.867 -1.021 17598 585 1 2 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.114 0.006 17598 586 1 2 . 1 1 23 23 LEU CA C 23 56.358 56.358 57.204 -0.846 17598 587 1 2 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.650 -0.553 17598 588 1 2 . 1 1 23 23 LEU H H 23 9.173 9.173 8.322 0.851 17598 589 1 2 . 1 1 24 24 GLU N N 24 117.032 117.032 119.502 -2.470 17598 590 1 2 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.238 0.573 17598 591 1 2 . 1 1 24 24 GLU CA C 24 56.655 56.655 59.056 -2.401 17598 592 1 2 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.921 0.377 17598 593 1 2 . 1 1 24 24 GLU H H 24 7.789 7.789 8.400 -0.611 17598 594 1 2 . 1 1 25 25 GLY N N 25 105.050 105.050 106.016 -0.966 17598 595 1 2 . 1 1 25 25 GLY CA C 25 44.407 44.407 45.385 -0.978 17598 596 1 2 . 1 1 25 25 GLY H H 25 7.640 7.640 7.497 0.143 17598 597 1 2 . 1 1 26 26 PHE N N 26 115.467 115.467 118.322 -2.855 17598 598 1 2 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.710 -0.206 17598 599 1 2 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.009 -0.482 17598 600 1 2 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.830 2.287 17598 601 1 2 . 1 1 26 26 PHE H H 26 6.508 6.508 7.825 -1.317 17598 602 1 2 . 1 1 27 27 ASN N N 27 118.006 118.006 117.302 0.704 17598 603 1 2 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.513 -0.025 17598 604 1 2 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.080 -1.051 17598 605 1 2 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.657 -0.939 17598 606 1 2 . 1 1 27 27 ASN H H 27 8.788 8.788 8.620 0.168 17598 607 1 2 . 1 1 28 28 ILE N N 28 129.126 129.126 121.210 7.916 17598 608 1 2 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.734 -0.046 17598 609 1 2 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.916 1.991 17598 610 1 2 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.571 0.472 17598 611 1 2 . 1 1 28 28 ILE H H 28 9.557 9.557 8.389 1.168 17598 612 1 2 . 1 1 29 29 GLU N N 29 120.068 120.068 117.664 2.404 17598 613 1 2 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.100 0.129 17598 614 1 2 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.551 -0.204 17598 615 1 2 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.709 -0.580 17598 616 1 2 . 1 1 29 29 GLU H H 29 9.064 9.064 8.547 0.517 17598 617 1 2 . 1 1 30 30 THR N N 30 109.404 109.404 109.700 -0.296 17598 618 1 2 . 1 1 30 30 THR HA H 30 4.303 4.303 4.108 0.195 17598 619 1 2 . 1 1 30 30 THR CA C 30 62.079 62.079 63.408 -1.329 17598 620 1 2 . 1 1 30 30 THR CB C 30 69.583 69.583 68.367 1.216 17598 621 1 2 . 1 1 30 30 THR H H 30 7.789 7.789 7.582 0.207 17598 622 1 2 . 1 1 31 31 PHE N N 31 120.250 120.250 120.486 -0.236 17598 623 1 2 . 1 1 31 31 PHE HA H 31 5.426 5.426 5.022 0.404 17598 624 1 2 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.458 -0.002 17598 625 1 2 . 1 1 31 31 PHE CB C 31 39.993 39.993 39.683 0.310 17598 626 1 2 . 1 1 31 31 PHE H H 31 7.236 7.236 6.932 0.304 17598 627 1 2 . 1 1 32 32 GLU N N 32 118.531 118.531 121.391 -2.860 17598 628 1 2 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.718 0.069 17598 629 1 2 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.030 -1.101 17598 630 1 2 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.983 0.710 17598 631 1 2 . 1 1 32 32 GLU H H 32 8.644 8.644 9.266 -0.622 17598 632 1 2 . 1 1 33 33 MET N N 33 127.438 127.438 126.582 0.856 17598 633 1 2 . 1 1 33 33 MET HA H 33 4.643 4.643 4.230 0.413 17598 634 1 2 . 1 1 33 33 MET CA C 33 56.411 56.411 57.128 -0.717 17598 635 1 2 . 1 1 33 33 MET CB C 33 32.050 32.050 33.014 -0.965 17598 636 1 2 . 1 1 33 33 MET H H 33 9.679 9.679 9.144 0.535 17598 637 1 2 . 1 1 34 34 VAL N N 34 119.176 119.176 122.085 -2.909 17598 638 1 2 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.574 0.200 17598 639 1 2 . 1 1 34 34 VAL CA C 34 60.996 60.996 60.921 0.075 17598 640 1 2 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.405 -0.556 17598 641 1 2 . 1 1 34 34 VAL H H 34 8.897 8.897 8.817 0.080 17598 642 1 2 . 1 1 35 35 GLY N N 35 108.249 108.249 109.098 -0.849 17598 643 1 2 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.403 -0.219 17598 644 1 2 . 1 1 35 35 GLY H H 35 7.589 7.589 7.924 -0.335 17598 645 1 2 . 1 1 36 36 THR N N 36 110.562 110.562 112.662 -2.100 17598 646 1 2 . 1 1 36 36 THR HA H 36 5.088 5.088 4.575 0.513 17598 647 1 2 . 1 1 36 36 THR CA C 36 60.060 60.060 61.068 -1.008 17598 648 1 2 . 1 1 36 36 THR CB C 36 72.335 72.335 71.484 0.851 17598 649 1 2 . 1 1 36 36 THR H H 36 8.300 8.300 8.141 0.159 17598 650 1 2 . 1 1 37 37 LEU N N 37 122.334 122.334 124.945 -2.611 17598 651 1 2 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.792 -0.087 17598 652 1 2 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.403 1.118 17598 653 1 2 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.685 1.630 17598 654 1 2 . 1 1 37 37 LEU H H 37 8.886 8.886 8.669 0.217 17598 655 1 2 . 1 1 38 38 SER N N 38 119.156 119.156 118.615 0.541 17598 656 1 2 . 1 1 38 38 SER HA H 38 5.489 5.489 5.021 0.468 17598 657 1 2 . 1 1 38 38 SER CA C 38 56.819 56.819 58.117 -1.298 17598 658 1 2 . 1 1 38 38 SER CB C 38 64.655 64.655 63.965 0.690 17598 659 1 2 . 1 1 38 38 SER H H 38 8.694 8.694 8.621 0.073 17598 660 1 2 . 1 1 39 39 ASN N N 39 124.156 124.156 125.393 -1.237 17598 661 1 2 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.797 -0.993 17598 662 1 2 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.583 0.280 17598 663 1 2 . 1 1 39 39 ASN H H 39 9.068 9.068 8.912 0.156 17598 664 1 2 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.111 0.056 17598 665 1 2 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.630 0.096 17598 666 1 2 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.416 -0.205 17598 667 1 2 . 1 1 41 41 GLN N N 41 114.937 114.937 116.050 -1.113 17598 668 1 2 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.220 0.130 17598 669 1 2 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.864 -0.169 17598 670 1 2 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.340 -0.352 17598 671 1 2 . 1 1 41 41 GLN H H 41 8.399 8.399 8.530 -0.131 17598 672 1 2 . 1 1 42 42 GLY N N 42 108.502 108.502 104.135 4.367 17598 673 1 2 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.524 0.047 17598 674 1 2 . 1 1 42 42 GLY H H 42 7.892 7.892 7.869 0.023 17598 675 1 2 . 1 1 43 43 THR N N 43 116.344 116.344 116.265 0.079 17598 676 1 2 . 1 1 43 43 THR HA H 43 3.749 3.749 4.893 -1.144 17598 677 1 2 . 1 1 43 43 THR CA C 43 69.834 69.834 61.747 8.087 17598 678 1 2 . 1 1 43 43 THR CB C 43 70.316 70.316 69.412 0.904 17598 679 1 2 . 1 1 43 43 THR H H 43 7.762 7.762 7.803 -0.041 17598 680 1 2 . 1 1 44 44 PHE N N 44 123.688 123.688 124.275 -0.587 17598 681 1 2 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.684 0.422 17598 682 1 2 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.138 -0.591 17598 683 1 2 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.556 -0.651 17598 684 1 2 . 1 1 44 44 PHE H H 44 9.283 9.283 9.061 0.222 17598 685 1 2 . 1 1 45 45 ALA N N 45 122.438 122.438 122.830 -0.392 17598 686 1 2 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.829 0.122 17598 687 1 2 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.637 -0.527 17598 688 1 2 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.593 0.044 17598 689 1 2 . 1 1 45 45 ALA H H 45 9.579 9.579 9.030 0.549 17598 690 1 2 . 1 1 46 46 LEU N N 46 121.500 121.500 124.614 -3.114 17598 691 1 2 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.315 -0.172 17598 692 1 2 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.793 -0.811 17598 693 1 2 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.258 -0.840 17598 694 1 2 . 1 1 46 46 LEU H H 46 8.472 8.472 8.769 -0.297 17598 695 1 2 . 1 1 47 47 VAL N N 47 122.125 122.125 124.054 -1.929 17598 696 1 2 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.495 0.420 17598 697 1 2 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.685 -0.262 17598 698 1 2 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.578 -1.750 17598 699 1 2 . 1 1 47 47 VAL H H 47 9.175 9.175 8.999 0.176 17598 700 1 2 . 1 1 48 48 LYS N N 48 129.000 129.000 123.858 5.142 17598 701 1 2 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.086 0.112 17598 702 1 2 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.761 0.966 17598 703 1 2 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.777 -0.744 17598 704 1 2 . 1 1 48 48 LYS H H 48 9.675 9.675 8.546 1.129 17598 705 1 2 . 1 1 49 49 GLY N N 49 113.844 113.844 111.593 2.251 17598 706 1 2 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.697 -0.821 17598 707 1 2 . 1 1 49 49 GLY H H 49 8.792 8.792 8.726 0.066 17598 708 1 2 . 1 1 50 50 ALA N N 50 123.844 123.844 123.868 -0.024 17598 709 1 2 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.924 -0.472 17598 710 1 2 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.361 -0.379 17598 711 1 2 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.961 -0.011 17598 712 1 2 . 1 1 50 50 ALA H H 50 8.963 8.963 8.641 0.322 17598 713 1 2 . 1 1 51 51 GLY N N 51 105.406 105.406 111.680 -6.274 17598 714 1 2 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.078 0.466 17598 715 1 2 . 1 1 51 51 GLY H H 51 8.582 8.582 8.573 0.009 17598 716 1 2 . 1 1 52 52 GLY N N 52 108.644 108.644 109.423 -0.779 17598 717 1 2 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.012 0.137 17598 718 1 2 . 1 1 52 52 GLY H H 52 7.692 7.692 8.282 -0.590 17598 719 1 2 . 1 1 53 53 VAL N N 53 121.656 121.656 120.563 1.093 17598 720 1 2 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.702 -0.115 17598 721 1 2 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.736 2.009 17598 722 1 2 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.910 -0.943 17598 723 1 2 . 1 1 53 53 VAL H H 53 7.928 7.928 8.108 -0.180 17598 724 1 2 . 1 1 54 54 HIS N N 54 128.219 128.219 123.278 4.941 17598 725 1 2 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.026 -0.403 17598 726 1 2 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.105 0.761 17598 727 1 2 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.087 1.216 17598 728 1 2 . 1 1 54 54 HIS H H 54 9.188 9.188 8.801 0.387 17598 729 1 2 . 1 1 55 55 ARG N N 55 122.125 122.125 122.730 -0.605 17598 730 1 2 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.460 -0.433 17598 731 1 2 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.748 0.536 17598 732 1 2 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.036 -1.279 17598 733 1 2 . 1 1 55 55 ARG H H 55 8.816 8.816 8.609 0.207 17598 734 1 2 . 1 1 56 56 VAL N N 56 124.229 124.229 117.848 6.381 17598 735 1 2 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.871 -0.163 17598 736 1 2 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.607 0.075 17598 737 1 2 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.683 -0.216 17598 738 1 2 . 1 1 56 56 VAL H H 56 9.444 9.444 8.924 0.520 17598 739 1 2 . 1 1 57 57 ARG N N 57 124.554 124.554 125.052 -0.498 17598 740 1 2 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.643 0.180 17598 741 1 2 . 1 1 57 57 ARG CA C 57 53.324 53.324 54.197 -0.873 17598 742 1 2 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.019 1.966 17598 743 1 2 . 1 1 57 57 ARG H H 57 9.124 9.124 8.520 0.604 17598 744 1 2 . 1 1 58 58 VAL N N 58 120.250 120.250 120.672 -0.422 17598 745 1 2 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.513 -0.158 17598 746 1 2 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.029 0.417 17598 747 1 2 . 1 1 58 58 VAL CB C 58 30.932 30.932 31.436 -0.504 17598 748 1 2 . 1 1 58 58 VAL H H 58 8.327 8.327 7.780 0.547 17598 749 1 2 . 1 1 59 59 GLY N N 59 117.437 117.437 116.577 0.860 17598 750 1 2 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.656 -0.081 17598 751 1 2 . 1 1 59 59 GLY H H 59 9.097 9.097 8.696 0.401 17598 752 1 2 . 1 1 60 60 ASP N N 60 121.031 121.031 122.603 -1.572 17598 753 1 2 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.455 0.496 17598 754 1 2 . 1 1 60 60 ASP CA C 60 54.342 54.342 56.308 -1.966 17598 755 1 2 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.587 0.171 17598 756 1 2 . 1 1 60 60 ASP H H 60 7.800 7.800 7.818 -0.018 17598 757 1 2 . 1 1 61 61 TYR N N 61 115.406 115.406 116.588 -1.182 17598 758 1 2 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.361 0.229 17598 759 1 2 . 1 1 61 61 TYR CA C 61 56.792 56.792 57.000 -0.208 17598 760 1 2 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.948 0.622 17598 761 1 2 . 1 1 61 61 TYR H H 61 7.834 7.834 8.603 -0.769 17598 762 1 2 . 1 1 62 62 LEU N N 62 117.750 117.750 121.996 -4.246 17598 763 1 2 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.670 -0.369 17598 764 1 2 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.982 -0.985 17598 765 1 2 . 1 1 62 62 LEU CB C 62 46.770 46.770 47.286 -0.516 17598 766 1 2 . 1 1 62 62 LEU H H 62 9.362 9.362 8.612 0.750 17598 767 1 2 . 1 1 63 63 GLY N N 63 107.303 107.303 110.161 -2.858 17598 768 1 2 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.199 -0.911 17598 769 1 2 . 1 1 63 63 GLY H H 63 7.945 7.945 8.598 -0.653 17598 770 1 2 . 1 1 64 64 ARG N N 64 113.687 113.687 121.200 -7.513 17598 771 1 2 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.178 0.263 17598 772 1 2 . 1 1 64 64 ARG CA C 64 57.269 57.269 58.221 -0.952 17598 773 1 2 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.438 0.308 17598 774 1 2 . 1 1 64 64 ARG H H 64 8.424 8.424 8.550 -0.126 17598 775 1 2 . 1 1 65 65 ASN N N 65 121.626 121.626 115.250 6.376 17598 776 1 2 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.648 0.851 17598 777 1 2 . 1 1 65 65 ASN CA C 65 53.356 53.356 53.306 0.050 17598 778 1 2 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.397 1.119 17598 779 1 2 . 1 1 65 65 ASN H H 65 9.529 9.529 8.153 1.376 17598 780 1 2 . 1 1 66 66 ASP N N 66 116.656 116.656 115.421 1.235 17598 781 1 2 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.307 -0.408 17598 782 1 2 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.014 -0.226 17598 783 1 2 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.179 1.241 17598 784 1 2 . 1 1 66 66 ASP H H 66 9.397 9.397 7.931 1.466 17598 785 1 2 . 1 1 67 67 GLY N N 67 100.587 100.587 106.689 -6.102 17598 786 1 2 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.378 2.633 17598 787 1 2 . 1 1 67 67 GLY H H 67 7.424 7.424 8.375 -0.951 17598 788 1 2 . 1 1 68 68 LYS N N 68 130.952 130.952 128.193 2.759 17598 789 1 2 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.738 -0.890 17598 790 1 2 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.280 -0.301 17598 791 1 2 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.447 0.010 17598 792 1 2 . 1 1 68 68 LYS H H 68 8.121 8.121 8.816 -0.695 17598 793 1 2 . 1 1 69 69 VAL N N 69 126.813 126.813 127.807 -0.994 17598 794 1 2 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.822 0.290 17598 795 1 2 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.339 -1.056 17598 796 1 2 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.147 -0.413 17598 797 1 2 . 1 1 69 69 VAL H H 69 9.113 9.113 8.537 0.576 17598 798 1 2 . 1 1 70 70 VAL N N 70 122.594 122.594 125.238 -2.644 17598 799 1 2 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.597 0.008 17598 800 1 2 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.494 -0.597 17598 801 1 2 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.556 -0.913 17598 802 1 2 . 1 1 70 70 VAL H H 70 8.968 8.968 8.590 0.378 17598 803 1 2 . 1 1 71 71 GLY N N 71 110.562 110.562 109.462 1.100 17598 804 1 2 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.360 1.839 17598 805 1 2 . 1 1 71 71 GLY H H 71 7.638 7.638 8.143 -0.505 17598 806 1 2 . 1 1 72 72 ILE N N 72 123.063 123.063 122.142 0.921 17598 807 1 2 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.303 0.156 17598 808 1 2 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.708 0.666 17598 809 1 2 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.285 2.096 17598 810 1 2 . 1 1 72 72 ILE H H 72 8.404 8.404 8.431 -0.027 17598 811 1 2 . 1 1 73 73 SER N N 73 123.531 123.531 122.743 0.788 17598 812 1 2 . 1 1 73 73 SER HA H 73 4.723 4.723 4.839 -0.116 17598 813 1 2 . 1 1 73 73 SER CA C 73 56.220 56.220 56.534 -0.314 17598 814 1 2 . 1 1 73 73 SER CB C 73 65.450 65.450 64.578 0.872 17598 815 1 2 . 1 1 73 73 SER H H 73 8.801 8.801 8.801 0.000 17598 816 1 2 . 1 1 74 74 GLU N N 74 116.656 116.656 117.645 -0.989 17598 817 1 2 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.376 -0.072 17598 818 1 2 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.925 -1.195 17598 819 1 2 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.488 -1.386 17598 820 1 2 . 1 1 74 74 GLU H H 74 8.537 8.537 8.567 -0.030 17598 821 1 2 . 1 1 75 75 GLY N N 75 102.989 102.989 106.519 -3.530 17598 822 1 2 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.803 0.215 17598 823 1 2 . 1 1 75 75 GLY H H 75 8.124 8.124 8.210 -0.086 17598 824 1 2 . 1 1 76 76 LYS N N 76 120.094 120.094 117.555 2.539 17598 825 1 2 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.070 0.191 17598 826 1 2 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.097 1.504 17598 827 1 2 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.576 0.835 17598 828 1 2 . 1 1 76 76 LYS H H 76 7.546 7.546 7.495 0.051 17598 829 1 2 . 1 1 77 77 ILE N N 77 121.344 121.344 121.432 -0.088 17598 830 1 2 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.527 0.023 17598 831 1 2 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.632 -0.785 17598 832 1 2 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.707 -0.091 17598 833 1 2 . 1 1 77 77 ILE H H 77 8.776 8.776 8.624 0.152 17598 834 1 2 . 1 1 78 78 ASP N N 78 126.813 126.813 129.824 -3.011 17598 835 1 2 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.052 0.149 17598 836 1 2 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.867 -0.747 17598 837 1 2 . 1 1 78 78 ASP CB C 78 42.952 42.952 42.038 0.914 17598 838 1 2 . 1 1 78 78 ASP H H 78 8.964 8.964 8.412 0.552 17598 839 1 2 . 1 1 79 79 VAL N N 79 124.156 124.156 118.929 5.227 17598 840 1 2 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.062 0.117 17598 841 1 2 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.642 -0.368 17598 842 1 2 . 1 1 79 79 VAL CB C 79 36.079 36.079 35.895 0.184 17598 843 1 2 . 1 1 79 79 VAL H H 79 9.060 9.060 9.058 0.002 17598 844 1 2 . 1 1 80 80 ILE N N 80 126.656 126.656 124.030 2.626 17598 845 1 2 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.397 0.098 17598 846 1 2 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.514 1.669 17598 847 1 2 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.464 1.823 17598 848 1 2 . 1 1 80 80 ILE H H 80 8.812 8.812 9.034 -0.222 17598 849 1 2 . 1 1 81 81 GLU N N 81 126.656 126.656 128.066 -1.410 17598 850 1 2 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.739 -0.117 17598 851 1 2 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.797 0.277 17598 852 1 2 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.063 -0.420 17598 853 1 2 . 1 1 81 81 GLU H H 81 8.283 8.283 8.708 -0.425 17598 854 1 2 . 1 1 82 82 ILE N N 82 120.094 120.094 121.857 -1.763 17598 855 1 2 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.764 0.269 17598 856 1 2 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.372 0.856 17598 857 1 2 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.626 1.412 17598 858 1 2 . 1 1 82 82 ILE H H 82 8.252 8.252 8.570 -0.318 17598 859 1 2 . 1 1 83 83 VAL N N 83 120.094 120.094 121.017 -0.923 17598 860 1 2 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.119 0.103 17598 861 1 2 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.804 -0.581 17598 862 1 2 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.577 -0.984 17598 863 1 2 . 1 1 83 83 VAL H H 83 9.201 9.201 9.060 0.141 17598 864 1 2 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.788 0.587 17598 865 1 2 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.748 -0.706 17598 866 1 2 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.010 -0.153 17598 867 1 2 . 1 1 85 85 ASP N N 85 120.250 120.250 121.308 -1.058 17598 868 1 2 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.546 -0.041 17598 869 1 2 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.245 -1.748 17598 870 1 2 . 1 1 85 85 ASP CB C 85 41.234 41.234 43.094 -1.860 17598 871 1 2 . 1 1 85 85 ASP H H 85 8.083 8.083 8.279 -0.196 17598 872 1 2 . 1 1 86 86 GLY N N 86 109.156 109.156 107.329 1.827 17598 873 1 2 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.212 -0.160 17598 874 1 2 . 1 1 86 86 GLY H H 86 8.160 8.160 8.241 -0.081 17598 875 1 2 . 1 1 87 87 GLU N N 87 120.719 120.719 121.509 -0.790 17598 876 1 2 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.379 0.062 17598 877 1 2 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.499 -1.520 17598 878 1 2 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.223 -0.061 17598 879 1 2 . 1 1 87 87 GLU H H 87 8.663 8.663 8.620 0.043 17598 880 1 2 . 1 1 88 88 GLY N N 88 109.312 109.312 106.982 2.330 17598 881 1 2 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.701 0.064 17598 882 1 2 . 1 1 88 88 GLY H H 88 8.417 8.417 8.078 0.339 17598 883 1 2 . 1 1 89 89 ASN N N 89 119.625 119.625 117.079 2.546 17598 884 1 2 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.839 0.158 17598 885 1 2 . 1 1 89 89 ASN CA C 89 50.970 50.970 51.793 -0.823 17598 886 1 2 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.766 0.322 17598 887 1 2 . 1 1 89 89 ASN H H 89 8.331 8.331 7.876 0.455 17598 888 1 2 . 1 1 90 90 TRP N N 90 121.188 121.188 118.929 2.259 17598 889 1 2 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.053 0.108 17598 890 1 2 . 1 1 90 90 TRP CA C 90 56.770 56.770 57.034 -0.264 17598 891 1 2 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.560 0.701 17598 892 1 2 . 1 1 90 90 TRP H H 90 8.538 8.538 8.371 0.167 17598 893 1 2 . 1 1 91 91 LEU N N 91 121.031 121.031 117.867 3.164 17598 894 1 2 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.878 -0.063 17598 895 1 2 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.262 0.094 17598 896 1 2 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.438 -1.195 17598 897 1 2 . 1 1 91 91 LEU H H 91 9.518 9.518 9.070 0.448 17598 898 1 2 . 1 1 92 92 GLU N N 92 119.156 119.156 121.258 -2.102 17598 899 1 2 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.590 0.462 17598 900 1 2 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.666 -1.306 17598 901 1 2 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.721 0.681 17598 902 1 2 . 1 1 92 92 GLU H H 92 8.490 8.490 8.719 -0.229 17598 903 1 2 . 1 1 93 93 ARG N N 93 124.938 124.938 121.861 3.077 17598 904 1 2 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.801 0.263 17598 905 1 2 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.823 -0.129 17598 906 1 2 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.064 2.097 17598 907 1 2 . 1 1 93 93 ARG H H 93 9.283 9.283 8.704 0.579 17598 908 1 2 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.777 0.466 17598 909 1 2 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.937 -0.684 17598 910 1 2 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.520 1.054 17598 911 1 2 . 1 1 95 95 ARG N N 95 120.416 120.416 125.583 -5.167 17598 912 1 2 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.760 -0.064 17598 913 1 2 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.456 0.167 17598 914 1 2 . 1 1 95 95 ARG CB C 95 33.392 33.392 34.411 -1.019 17598 915 1 2 . 1 1 95 95 ARG H H 95 9.115 9.115 8.804 0.311 17598 916 1 2 . 1 1 96 96 SER N N 96 115.719 115.719 118.244 -2.525 17598 917 1 2 . 1 1 96 96 SER HA H 96 5.781 5.781 5.317 0.464 17598 918 1 2 . 1 1 96 96 SER CA C 96 56.824 56.824 57.336 -0.512 17598 919 1 2 . 1 1 96 96 SER CB C 96 65.906 65.906 64.094 1.812 17598 920 1 2 . 1 1 96 96 SER H H 96 8.676 8.676 8.644 0.032 17598 921 1 2 . 1 1 97 97 LEU N N 97 126.188 126.188 128.477 -2.289 17598 922 1 2 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.694 0.179 17598 923 1 2 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.841 1.193 17598 924 1 2 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.142 1.789 17598 925 1 2 . 1 1 97 97 LEU H H 97 9.030 9.030 9.053 -0.023 17598 926 1 2 . 1 1 98 98 THR N N 98 113.687 113.687 115.149 -1.462 17598 927 1 2 . 1 1 98 98 THR HA H 98 4.869 4.869 4.598 0.271 17598 928 1 2 . 1 1 98 98 THR CA C 98 60.265 60.265 60.142 0.123 17598 929 1 2 . 1 1 98 98 THR CB C 98 70.650 70.650 70.144 0.506 17598 930 1 2 . 1 1 98 98 THR H H 98 8.410 8.410 8.219 0.191 17598 931 1 2 . 1 1 99 99 LEU N N 99 126.344 126.344 123.221 3.123 17598 932 1 2 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.178 -0.093 17598 933 1 2 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.329 -0.558 17598 934 1 2 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.884 0.169 17598 935 1 2 . 1 1 99 99 LEU H H 99 7.806 7.806 8.136 -0.330 17598 936 1 2 . 1 1 100 100 LYS N N 100 128.063 128.063 126.545 1.518 17598 937 1 2 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.156 0.239 17598 938 1 2 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.551 -1.636 17598 939 1 2 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.978 0.082 17598 940 1 2 . 1 1 100 100 LYS H H 100 8.816 8.816 8.265 0.551 17598 941 1 2 . 1 1 101 101 GLU N N 101 123.531 123.531 123.988 -0.457 17598 942 1 2 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.365 -0.376 17598 943 1 2 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.663 -0.693 17598 944 1 2 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.377 0.213 17598 945 1 2 . 1 1 101 101 GLU H H 101 8.323 8.323 8.533 -0.210 17598 946 1 2 . 1 1 102 102 ARG N N 102 122.965 122.965 124.800 -1.835 17598 947 1 2 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.073 0.294 17598 948 1 2 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.670 -0.896 17598 949 1 2 . 1 1 102 102 ARG CB C 102 30.559 30.559 29.509 1.050 17598 950 1 2 . 1 1 102 102 ARG H H 102 8.414 8.414 8.629 -0.215 17598 951 1 2 . 1 1 103 103 SER N N 103 117.435 117.435 112.377 5.058 17598 952 1 2 . 1 1 103 103 SER HA H 103 4.431 4.431 4.592 -0.161 17598 953 1 2 . 1 1 103 103 SER CA C 103 58.079 58.079 57.821 0.258 17598 954 1 2 . 1 1 103 103 SER CB C 103 63.554 63.554 62.526 1.028 17598 955 1 2 . 1 1 103 103 SER H H 103 8.423 8.423 8.452 -0.029 17598 956 1 2 . 1 1 104 104 LEU N N 104 124.423 124.423 116.855 7.568 17598 957 1 2 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.706 -0.382 17598 958 1 2 . 1 1 104 104 LEU CA C 104 55.124 55.124 55.196 -0.072 17598 959 1 2 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.411 -0.422 17598 960 1 2 . 1 1 104 104 LEU H H 104 8.369 8.369 7.532 0.837 17598 961 1 2 . 1 1 105 105 GLU N N 105 120.875 120.875 119.065 1.810 17598 962 1 2 . 1 1 105 105 GLU HA H 105 4.014 4.014 3.912 0.102 17598 963 1 2 . 1 1 105 105 GLU CA C 105 57.945 57.945 57.800 0.145 17598 964 1 2 . 1 1 105 105 GLU CB C 105 29.846 29.846 29.136 0.710 17598 965 1 2 . 1 1 105 105 GLU H H 105 8.249 8.249 8.051 0.198 17598 966 1 2 . 1 1 106 106 HIS N N 106 120.719 120.719 120.265 0.454 17598 967 1 2 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.139 1.469 17598 968 1 2 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.284 3.164 17598 969 1 2 . 1 1 106 106 HIS H H 106 8.274 8.274 7.849 0.425 17598 970 1 2 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.277 0.309 17598 971 1 2 . 1 1 107 107 HIS CA C 107 55.804 55.804 56.144 -0.340 17598 972 1 2 . 1 1 107 107 HIS CB C 107 30.424 30.424 29.559 0.865 17598 973 1 2 . 1 1 108 108 HIS N N 108 125.843 125.843 125.327 0.516 17598 974 1 2 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.172 1.933 17598 975 1 2 . 1 1 108 108 HIS CB C 108 30.424 30.424 29.699 0.725 17598 976 1 2 . 1 1 108 108 HIS H H 108 7.941 7.941 8.499 -0.558 17598 977 1 3 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.583 -0.208 17598 978 1 3 . 1 1 2 2 LEU CA C 2 55.350 55.350 55.003 0.347 17598 979 1 3 . 1 1 2 2 LEU CB C 2 42.048 42.048 41.559 0.489 17598 980 1 3 . 1 1 3 3 THR N N 3 114.937 114.937 115.511 -0.574 17598 981 1 3 . 1 1 3 3 THR HA H 3 4.205 4.205 4.349 -0.144 17598 982 1 3 . 1 1 3 3 THR CA C 3 62.493 62.493 61.966 0.527 17598 983 1 3 . 1 1 3 3 THR CB C 3 69.391 69.391 70.205 -0.814 17598 984 1 3 . 1 1 3 3 THR H H 3 8.316 8.316 8.014 0.302 17598 985 1 3 . 1 1 4 4 VAL N N 4 122.438 122.438 118.936 3.502 17598 986 1 3 . 1 1 4 4 VAL HA H 4 4.068 4.068 3.724 0.344 17598 987 1 3 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.651 -0.158 17598 988 1 3 . 1 1 4 4 VAL CB C 4 32.358 32.358 31.202 1.156 17598 989 1 3 . 1 1 4 4 VAL H H 4 7.953 7.953 7.967 -0.014 17598 990 1 3 . 1 1 5 5 ARG N N 5 124.781 124.781 118.265 6.516 17598 991 1 3 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.290 0.060 17598 992 1 3 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.151 0.691 17598 993 1 3 . 1 1 5 5 ARG CB C 5 30.643 30.643 29.881 0.762 17598 994 1 3 . 1 1 5 5 ARG H H 5 8.319 8.319 7.674 0.645 17598 995 1 3 . 1 1 6 6 GLN N N 6 121.656 121.656 119.899 1.757 17598 996 1 3 . 1 1 6 6 GLN CA C 6 55.842 55.842 56.512 -0.670 17598 997 1 3 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.027 0.162 17598 998 1 3 . 1 1 6 6 GLN H H 6 8.373 8.373 7.712 0.661 17598 999 1 3 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.686 -0.877 17598 1000 1 3 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.127 -0.295 17598 1001 1 3 . 1 1 7 7 LYS CB C 7 30.063 30.063 35.032 -4.969 17598 1002 1 3 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.333 -0.604 17598 1003 1 3 . 1 1 8 8 GLY H H 8 8.407 8.407 8.966 -0.559 17598 1004 1 3 . 1 1 9 9 ASN N N 9 118.812 118.812 118.492 0.320 17598 1005 1 3 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.927 -0.211 17598 1006 1 3 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.654 0.229 17598 1007 1 3 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.235 -0.343 17598 1008 1 3 . 1 1 9 9 ASN H H 9 8.337 8.337 8.109 0.228 17598 1009 1 3 . 1 1 10 10 LYS N N 10 122.131 122.131 116.789 5.342 17598 1010 1 3 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.018 0.314 17598 1011 1 3 . 1 1 10 10 LYS CA C 10 55.970 55.970 57.129 -1.159 17598 1012 1 3 . 1 1 10 10 LYS CB C 10 32.574 32.574 31.449 1.125 17598 1013 1 3 . 1 1 10 10 LYS H H 10 8.253 8.253 8.162 0.091 17598 1014 1 3 . 1 1 11 11 VAL N N 11 123.026 123.026 111.365 11.661 17598 1015 1 3 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.451 -0.315 17598 1016 1 3 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.151 1.854 17598 1017 1 3 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.355 -1.533 17598 1018 1 3 . 1 1 11 11 VAL H H 11 8.428 8.428 7.435 0.993 17598 1019 1 3 . 1 1 12 12 ILE N N 12 127.174 127.174 123.556 3.618 17598 1020 1 3 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.292 -0.188 17598 1021 1 3 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.167 -0.165 17598 1022 1 3 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.251 -0.518 17598 1023 1 3 . 1 1 12 12 ILE H H 12 8.345 8.345 8.612 -0.267 17598 1024 1 3 . 1 1 13 13 LYS N N 13 122.906 122.906 125.208 -2.302 17598 1025 1 3 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.376 -0.559 17598 1026 1 3 . 1 1 13 13 LYS CA C 13 53.957 53.957 53.650 0.307 17598 1027 1 3 . 1 1 13 13 LYS CB C 13 32.517 32.517 34.149 -1.632 17598 1028 1 3 . 1 1 13 13 LYS H H 13 7.662 7.662 8.433 -0.771 17598 1029 1 3 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.288 -0.363 17598 1030 1 3 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.755 -0.218 17598 1031 1 3 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.774 -0.181 17598 1032 1 3 . 1 1 15 15 ASP N N 15 121.969 121.969 121.244 0.725 17598 1033 1 3 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.708 -0.185 17598 1034 1 3 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.122 -0.148 17598 1035 1 3 . 1 1 15 15 ASP CB C 15 40.470 40.470 41.732 -1.262 17598 1036 1 3 . 1 1 15 15 ASP H H 15 8.607 8.607 8.392 0.215 17598 1037 1 3 . 1 1 16 16 GLU N N 16 126.813 126.813 119.511 7.302 17598 1038 1 3 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.404 -0.212 17598 1039 1 3 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.331 1.320 17598 1040 1 3 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.847 -0.640 17598 1041 1 3 . 1 1 16 16 GLU H H 16 9.032 9.032 8.723 0.309 17598 1042 1 3 . 1 1 17 17 THR N N 17 110.875 110.875 110.168 0.707 17598 1043 1 3 . 1 1 17 17 THR HA H 17 4.313 4.313 4.334 -0.021 17598 1044 1 3 . 1 1 17 17 THR CA C 17 61.660 61.660 61.789 -0.129 17598 1045 1 3 . 1 1 17 17 THR CB C 17 69.392 69.392 69.381 0.011 17598 1046 1 3 . 1 1 17 17 THR H H 17 8.453 8.453 7.843 0.610 17598 1047 1 3 . 1 1 18 18 ARG N N 18 124.313 124.313 122.655 1.658 17598 1048 1 3 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.307 -0.200 17598 1049 1 3 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.992 -0.059 17598 1050 1 3 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.954 0.067 17598 1051 1 3 . 1 1 18 18 ARG H H 18 6.969 6.969 7.855 -0.886 17598 1052 1 3 . 1 1 19 19 VAL N N 19 127.750 127.750 120.473 7.277 17598 1053 1 3 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.008 -0.215 17598 1054 1 3 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.259 -0.729 17598 1055 1 3 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.195 -1.174 17598 1056 1 3 . 1 1 19 19 VAL H H 19 8.494 8.494 8.163 0.331 17598 1057 1 3 . 1 1 20 20 LYS N N 20 129.005 129.005 123.816 5.189 17598 1058 1 3 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.701 -0.619 17598 1059 1 3 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.908 1.889 17598 1060 1 3 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.470 0.555 17598 1061 1 3 . 1 1 20 20 LYS H H 20 8.406 8.406 8.157 0.249 17598 1062 1 3 . 1 1 21 21 GLN N N 21 122.125 122.125 122.681 -0.556 17598 1063 1 3 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.133 0.298 17598 1064 1 3 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.912 -0.215 17598 1065 1 3 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.436 -0.229 17598 1066 1 3 . 1 1 21 21 GLN H H 21 9.783 9.783 8.186 1.597 17598 1067 1 3 . 1 1 22 22 PHE N N 22 126.785 126.785 120.441 6.344 17598 1068 1 3 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.250 0.042 17598 1069 1 3 . 1 1 22 22 PHE CA C 22 61.906 61.906 61.324 0.582 17598 1070 1 3 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.219 -0.114 17598 1071 1 3 . 1 1 22 22 PHE H H 22 9.214 9.214 8.505 0.709 17598 1072 1 3 . 1 1 23 23 LEU N N 23 115.846 115.846 117.535 -1.689 17598 1073 1 3 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.220 -0.100 17598 1074 1 3 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.045 0.313 17598 1075 1 3 . 1 1 23 23 LEU CB C 23 40.097 40.097 39.937 0.160 17598 1076 1 3 . 1 1 23 23 LEU H H 23 9.173 9.173 7.969 1.204 17598 1077 1 3 . 1 1 24 24 GLU N N 24 117.032 117.032 117.604 -0.572 17598 1078 1 3 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.401 0.410 17598 1079 1 3 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.243 -0.588 17598 1080 1 3 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.345 -0.047 17598 1081 1 3 . 1 1 24 24 GLU H H 24 7.789 7.789 7.349 0.440 17598 1082 1 3 . 1 1 25 25 GLY N N 25 105.050 105.050 106.356 -1.306 17598 1083 1 3 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.339 0.068 17598 1084 1 3 . 1 1 25 25 GLY H H 25 7.640 7.640 7.324 0.316 17598 1085 1 3 . 1 1 26 26 PHE N N 26 115.467 115.467 118.069 -2.602 17598 1086 1 3 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.777 -0.273 17598 1087 1 3 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.558 -0.031 17598 1088 1 3 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.915 2.202 17598 1089 1 3 . 1 1 26 26 PHE H H 26 6.508 6.508 7.289 -0.781 17598 1090 1 3 . 1 1 27 27 ASN N N 27 118.006 118.006 117.118 0.888 17598 1091 1 3 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.544 -0.056 17598 1092 1 3 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.980 -0.951 17598 1093 1 3 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.795 -1.077 17598 1094 1 3 . 1 1 27 27 ASN H H 27 8.788 8.788 8.566 0.222 17598 1095 1 3 . 1 1 28 28 ILE N N 28 129.126 129.126 121.435 7.691 17598 1096 1 3 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.845 -0.157 17598 1097 1 3 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.991 1.916 17598 1098 1 3 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.549 0.494 17598 1099 1 3 . 1 1 28 28 ILE H H 28 9.557 9.557 8.212 1.345 17598 1100 1 3 . 1 1 29 29 GLU N N 29 120.068 120.068 119.210 0.858 17598 1101 1 3 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.058 0.171 17598 1102 1 3 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.647 -0.300 17598 1103 1 3 . 1 1 29 29 GLU CB C 29 28.129 28.129 29.232 -1.103 17598 1104 1 3 . 1 1 29 29 GLU H H 29 9.064 9.064 8.620 0.444 17598 1105 1 3 . 1 1 30 30 THR N N 30 109.404 109.404 112.937 -3.533 17598 1106 1 3 . 1 1 30 30 THR HA H 30 4.303 4.303 4.011 0.292 17598 1107 1 3 . 1 1 30 30 THR CA C 30 62.079 62.079 63.553 -1.474 17598 1108 1 3 . 1 1 30 30 THR CB C 30 69.583 69.583 68.440 1.143 17598 1109 1 3 . 1 1 30 30 THR H H 30 7.789 7.789 8.134 -0.345 17598 1110 1 3 . 1 1 31 31 PHE N N 31 120.250 120.250 120.950 -0.700 17598 1111 1 3 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.776 0.650 17598 1112 1 3 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.707 -0.251 17598 1113 1 3 . 1 1 31 31 PHE CB C 31 39.993 39.993 39.771 0.222 17598 1114 1 3 . 1 1 31 31 PHE H H 31 7.236 7.236 6.965 0.271 17598 1115 1 3 . 1 1 32 32 GLU N N 32 118.531 118.531 119.479 -0.948 17598 1116 1 3 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.834 -0.047 17598 1117 1 3 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.420 -0.491 17598 1118 1 3 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.503 1.190 17598 1119 1 3 . 1 1 32 32 GLU H H 32 8.644 8.644 9.265 -0.621 17598 1120 1 3 . 1 1 33 33 MET N N 33 127.438 127.438 125.101 2.337 17598 1121 1 3 . 1 1 33 33 MET HA H 33 4.643 4.643 4.217 0.426 17598 1122 1 3 . 1 1 33 33 MET CA C 33 56.411 56.411 57.261 -0.850 17598 1123 1 3 . 1 1 33 33 MET CB C 33 32.050 32.050 32.793 -0.743 17598 1124 1 3 . 1 1 33 33 MET H H 33 9.679 9.679 9.173 0.506 17598 1125 1 3 . 1 1 34 34 VAL N N 34 119.176 119.176 126.433 -7.257 17598 1126 1 3 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.443 0.331 17598 1127 1 3 . 1 1 34 34 VAL CA C 34 60.996 60.996 60.891 0.105 17598 1128 1 3 . 1 1 34 34 VAL CB C 34 32.849 32.849 34.203 -1.353 17598 1129 1 3 . 1 1 34 34 VAL H H 34 8.897 8.897 8.508 0.389 17598 1130 1 3 . 1 1 35 35 GLY N N 35 108.249 108.249 108.133 0.116 17598 1131 1 3 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.793 -0.609 17598 1132 1 3 . 1 1 35 35 GLY H H 35 7.589 7.589 8.078 -0.489 17598 1133 1 3 . 1 1 36 36 THR N N 36 110.562 110.562 112.900 -2.338 17598 1134 1 3 . 1 1 36 36 THR HA H 36 5.088 5.088 4.545 0.543 17598 1135 1 3 . 1 1 36 36 THR CA C 36 60.060 60.060 60.964 -0.904 17598 1136 1 3 . 1 1 36 36 THR CB C 36 72.335 72.335 71.473 0.862 17598 1137 1 3 . 1 1 36 36 THR H H 36 8.300 8.300 8.077 0.223 17598 1138 1 3 . 1 1 37 37 LEU N N 37 122.334 122.334 124.328 -1.994 17598 1139 1 3 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.788 -0.083 17598 1140 1 3 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.629 0.892 17598 1141 1 3 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.483 1.831 17598 1142 1 3 . 1 1 37 37 LEU H H 37 8.886 8.886 8.611 0.275 17598 1143 1 3 . 1 1 38 38 SER N N 38 119.156 119.156 117.494 1.662 17598 1144 1 3 . 1 1 38 38 SER HA H 38 5.489 5.489 5.078 0.411 17598 1145 1 3 . 1 1 38 38 SER CA C 38 56.819 56.819 58.081 -1.262 17598 1146 1 3 . 1 1 38 38 SER CB C 38 64.655 64.655 63.881 0.774 17598 1147 1 3 . 1 1 38 38 SER H H 38 8.694 8.694 8.575 0.119 17598 1148 1 3 . 1 1 39 39 ASN N N 39 124.156 124.156 124.922 -0.766 17598 1149 1 3 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.144 -1.340 17598 1150 1 3 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.611 -0.748 17598 1151 1 3 . 1 1 39 39 ASN H H 39 9.068 9.068 8.721 0.347 17598 1152 1 3 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.121 0.046 17598 1153 1 3 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.651 0.075 17598 1154 1 3 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.248 -0.038 17598 1155 1 3 . 1 1 41 41 GLN N N 41 114.937 114.937 116.631 -1.694 17598 1156 1 3 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.229 0.121 17598 1157 1 3 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.768 -0.073 17598 1158 1 3 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.739 -0.751 17598 1159 1 3 . 1 1 41 41 GLN H H 41 8.399 8.399 8.313 0.086 17598 1160 1 3 . 1 1 42 42 GLY N N 42 108.502 108.502 104.987 3.515 17598 1161 1 3 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.352 0.219 17598 1162 1 3 . 1 1 42 42 GLY H H 42 7.892 7.892 7.611 0.281 17598 1163 1 3 . 1 1 43 43 THR N N 43 116.344 116.344 116.628 -0.284 17598 1164 1 3 . 1 1 43 43 THR HA H 43 3.749 3.749 4.874 -1.125 17598 1165 1 3 . 1 1 43 43 THR CA C 43 69.834 69.834 61.871 7.963 17598 1166 1 3 . 1 1 43 43 THR CB C 43 70.316 70.316 69.672 0.644 17598 1167 1 3 . 1 1 43 43 THR H H 43 7.762 7.762 7.918 -0.156 17598 1168 1 3 . 1 1 44 44 PHE N N 44 123.688 123.688 124.857 -1.169 17598 1169 1 3 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.807 0.299 17598 1170 1 3 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.137 -0.590 17598 1171 1 3 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.889 -0.984 17598 1172 1 3 . 1 1 44 44 PHE H H 44 9.283 9.283 8.975 0.308 17598 1173 1 3 . 1 1 45 45 ALA N N 45 122.438 122.438 122.612 -0.174 17598 1174 1 3 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.844 0.107 17598 1175 1 3 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.632 -0.522 17598 1176 1 3 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.629 0.008 17598 1177 1 3 . 1 1 45 45 ALA H H 45 9.579 9.579 9.324 0.255 17598 1178 1 3 . 1 1 46 46 LEU N N 46 121.500 121.500 124.013 -2.513 17598 1179 1 3 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.406 -0.263 17598 1180 1 3 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.693 -0.711 17598 1181 1 3 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.681 -1.263 17598 1182 1 3 . 1 1 46 46 LEU H H 46 8.472 8.472 8.812 -0.340 17598 1183 1 3 . 1 1 47 47 VAL N N 47 122.125 122.125 122.242 -0.117 17598 1184 1 3 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.539 0.376 17598 1185 1 3 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.352 0.071 17598 1186 1 3 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.898 -1.070 17598 1187 1 3 . 1 1 47 47 VAL H H 47 9.175 9.175 8.943 0.232 17598 1188 1 3 . 1 1 48 48 LYS N N 48 129.000 129.000 124.024 4.976 17598 1189 1 3 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.911 0.287 17598 1190 1 3 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.750 0.976 17598 1191 1 3 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.851 -0.818 17598 1192 1 3 . 1 1 48 48 LYS H H 48 9.675 9.675 8.826 0.849 17598 1193 1 3 . 1 1 49 49 GLY N N 49 113.844 113.844 109.992 3.852 17598 1194 1 3 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.872 -0.996 17598 1195 1 3 . 1 1 49 49 GLY H H 49 8.792 8.792 8.641 0.151 17598 1196 1 3 . 1 1 50 50 ALA N N 50 123.844 123.844 120.806 3.038 17598 1197 1 3 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.606 -0.154 17598 1198 1 3 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.052 -0.070 17598 1199 1 3 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.060 -0.110 17598 1200 1 3 . 1 1 50 50 ALA H H 50 8.963 8.963 8.461 0.502 17598 1201 1 3 . 1 1 51 51 GLY N N 51 105.406 105.406 103.328 2.078 17598 1202 1 3 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.285 0.259 17598 1203 1 3 . 1 1 51 51 GLY H H 51 8.582 8.582 8.272 0.310 17598 1204 1 3 . 1 1 52 52 GLY N N 52 108.644 108.644 106.313 2.331 17598 1205 1 3 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.868 0.281 17598 1206 1 3 . 1 1 52 52 GLY H H 52 7.692 7.692 7.889 -0.197 17598 1207 1 3 . 1 1 53 53 VAL N N 53 121.656 121.656 116.598 5.058 17598 1208 1 3 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.675 -0.088 17598 1209 1 3 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.163 1.582 17598 1210 1 3 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.086 -1.119 17598 1211 1 3 . 1 1 53 53 VAL H H 53 7.928 7.928 8.294 -0.366 17598 1212 1 3 . 1 1 54 54 HIS N N 54 128.219 128.219 122.952 5.267 17598 1213 1 3 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.064 -0.441 17598 1214 1 3 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.760 1.106 17598 1215 1 3 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.063 1.240 17598 1216 1 3 . 1 1 54 54 HIS H H 54 9.188 9.188 8.938 0.250 17598 1217 1 3 . 1 1 55 55 ARG N N 55 122.125 122.125 122.494 -0.369 17598 1218 1 3 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.492 -0.465 17598 1219 1 3 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.922 0.362 17598 1220 1 3 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.397 -1.640 17598 1221 1 3 . 1 1 55 55 ARG H H 55 8.816 8.816 8.586 0.230 17598 1222 1 3 . 1 1 56 56 VAL N N 56 124.229 124.229 118.134 6.095 17598 1223 1 3 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.877 -0.169 17598 1224 1 3 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.067 0.615 17598 1225 1 3 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.652 -1.185 17598 1226 1 3 . 1 1 56 56 VAL H H 56 9.444 9.444 8.949 0.495 17598 1227 1 3 . 1 1 57 57 ARG N N 57 124.554 124.554 120.486 4.068 17598 1228 1 3 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.664 0.159 17598 1229 1 3 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.702 -0.378 17598 1230 1 3 . 1 1 57 57 ARG CB C 57 33.985 33.985 33.148 0.837 17598 1231 1 3 . 1 1 57 57 ARG H H 57 9.124 9.124 7.930 1.194 17598 1232 1 3 . 1 1 58 58 VAL N N 58 120.250 120.250 120.797 -0.547 17598 1233 1 3 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.480 -0.125 17598 1234 1 3 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.183 0.263 17598 1235 1 3 . 1 1 58 58 VAL CB C 58 30.932 30.932 31.774 -0.842 17598 1236 1 3 . 1 1 58 58 VAL H H 58 8.327 8.327 8.406 -0.079 17598 1237 1 3 . 1 1 59 59 GLY N N 59 117.437 117.437 116.381 1.056 17598 1238 1 3 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.641 -0.066 17598 1239 1 3 . 1 1 59 59 GLY H H 59 9.097 9.097 8.655 0.442 17598 1240 1 3 . 1 1 60 60 ASP N N 60 121.031 121.031 122.856 -1.825 17598 1241 1 3 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.673 0.278 17598 1242 1 3 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.406 -1.064 17598 1243 1 3 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.407 0.351 17598 1244 1 3 . 1 1 60 60 ASP H H 60 7.800 7.800 7.940 -0.140 17598 1245 1 3 . 1 1 61 61 TYR N N 61 115.406 115.406 114.930 0.476 17598 1246 1 3 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.346 0.244 17598 1247 1 3 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.898 -0.106 17598 1248 1 3 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.190 0.380 17598 1249 1 3 . 1 1 61 61 TYR H H 61 7.834 7.834 8.445 -0.611 17598 1250 1 3 . 1 1 62 62 LEU N N 62 117.750 117.750 120.180 -2.430 17598 1251 1 3 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.968 -0.667 17598 1252 1 3 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.698 -0.701 17598 1253 1 3 . 1 1 62 62 LEU CB C 62 46.770 46.770 47.147 -0.377 17598 1254 1 3 . 1 1 62 62 LEU H H 62 9.362 9.362 8.746 0.616 17598 1255 1 3 . 1 1 63 63 GLY N N 63 107.303 107.303 108.511 -1.208 17598 1256 1 3 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.121 -0.833 17598 1257 1 3 . 1 1 63 63 GLY H H 63 7.945 7.945 8.193 -0.248 17598 1258 1 3 . 1 1 64 64 ARG N N 64 113.687 113.687 120.619 -6.932 17598 1259 1 3 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.280 0.161 17598 1260 1 3 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.538 -0.269 17598 1261 1 3 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.529 0.217 17598 1262 1 3 . 1 1 64 64 ARG H H 64 8.424 8.424 8.527 -0.103 17598 1263 1 3 . 1 1 65 65 ASN N N 65 121.626 121.626 116.260 5.366 17598 1264 1 3 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.710 0.789 17598 1265 1 3 . 1 1 65 65 ASN CA C 65 53.356 53.356 53.118 0.238 17598 1266 1 3 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.303 1.213 17598 1267 1 3 . 1 1 65 65 ASN H H 65 9.529 9.529 8.097 1.432 17598 1268 1 3 . 1 1 66 66 ASP N N 66 116.656 116.656 115.715 0.941 17598 1269 1 3 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.292 -0.393 17598 1270 1 3 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.099 -0.311 17598 1271 1 3 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.319 1.101 17598 1272 1 3 . 1 1 66 66 ASP H H 66 9.397 9.397 7.779 1.618 17598 1273 1 3 . 1 1 67 67 GLY N N 67 100.587 100.587 106.684 -6.097 17598 1274 1 3 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.199 2.812 17598 1275 1 3 . 1 1 67 67 GLY H H 67 7.424 7.424 8.358 -0.934 17598 1276 1 3 . 1 1 68 68 LYS N N 68 130.952 130.952 127.040 3.912 17598 1277 1 3 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.527 -0.679 17598 1278 1 3 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.617 -0.638 17598 1279 1 3 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.723 -0.266 17598 1280 1 3 . 1 1 68 68 LYS H H 68 8.121 8.121 8.697 -0.576 17598 1281 1 3 . 1 1 69 69 VAL N N 69 126.813 126.813 125.062 1.751 17598 1282 1 3 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.925 0.187 17598 1283 1 3 . 1 1 69 69 VAL CA C 69 63.283 63.283 63.400 -0.117 17598 1284 1 3 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.183 -0.449 17598 1285 1 3 . 1 1 69 69 VAL H H 69 9.113 9.113 8.254 0.859 17598 1286 1 3 . 1 1 70 70 VAL N N 70 122.594 122.594 124.366 -1.772 17598 1287 1 3 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.584 0.021 17598 1288 1 3 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.947 -1.050 17598 1289 1 3 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.721 -1.077 17598 1290 1 3 . 1 1 70 70 VAL H H 70 8.968 8.968 8.562 0.406 17598 1291 1 3 . 1 1 71 71 GLY N N 71 110.562 110.562 109.376 1.186 17598 1292 1 3 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.333 1.866 17598 1293 1 3 . 1 1 71 71 GLY H H 71 7.638 7.638 8.102 -0.464 17598 1294 1 3 . 1 1 72 72 ILE N N 72 123.063 123.063 121.905 1.158 17598 1295 1 3 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.255 0.204 17598 1296 1 3 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.778 0.596 17598 1297 1 3 . 1 1 72 72 ILE CB C 72 42.381 42.381 41.117 1.264 17598 1298 1 3 . 1 1 72 72 ILE H H 72 8.404 8.404 8.418 -0.014 17598 1299 1 3 . 1 1 73 73 SER N N 73 123.531 123.531 120.564 2.967 17598 1300 1 3 . 1 1 73 73 SER HA H 73 4.723 4.723 4.902 -0.179 17598 1301 1 3 . 1 1 73 73 SER CA C 73 56.220 56.220 56.954 -0.734 17598 1302 1 3 . 1 1 73 73 SER CB C 73 65.450 65.450 66.594 -1.145 17598 1303 1 3 . 1 1 73 73 SER H H 73 8.801 8.801 8.477 0.324 17598 1304 1 3 . 1 1 74 74 GLU N N 74 116.656 116.656 117.723 -1.067 17598 1305 1 3 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.310 -0.006 17598 1306 1 3 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.038 -1.308 17598 1307 1 3 . 1 1 74 74 GLU CB C 74 29.102 29.102 29.941 -0.839 17598 1308 1 3 . 1 1 74 74 GLU H H 74 8.537 8.537 8.607 -0.070 17598 1309 1 3 . 1 1 75 75 GLY N N 75 102.989 102.989 105.635 -2.646 17598 1310 1 3 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.213 -0.195 17598 1311 1 3 . 1 1 75 75 GLY H H 75 8.124 8.124 8.090 0.034 17598 1312 1 3 . 1 1 76 76 LYS N N 76 120.094 120.094 117.041 3.053 17598 1313 1 3 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.156 0.105 17598 1314 1 3 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.085 1.516 17598 1315 1 3 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.093 0.319 17598 1316 1 3 . 1 1 76 76 LYS H H 76 7.546 7.546 7.535 0.011 17598 1317 1 3 . 1 1 77 77 ILE N N 77 121.344 121.344 119.936 1.408 17598 1318 1 3 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.480 0.070 17598 1319 1 3 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.799 -0.952 17598 1320 1 3 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.967 -0.351 17598 1321 1 3 . 1 1 77 77 ILE H H 77 8.776 8.776 8.433 0.343 17598 1322 1 3 . 1 1 78 78 ASP N N 78 126.813 126.813 128.428 -1.615 17598 1323 1 3 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.142 0.059 17598 1324 1 3 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.332 -0.212 17598 1325 1 3 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.997 0.955 17598 1326 1 3 . 1 1 78 78 ASP H H 78 8.964 8.964 8.330 0.634 17598 1327 1 3 . 1 1 79 79 VAL N N 79 124.156 124.156 117.595 6.561 17598 1328 1 3 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.106 0.073 17598 1329 1 3 . 1 1 79 79 VAL CA C 79 59.274 59.274 60.246 -0.972 17598 1330 1 3 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.260 -0.181 17598 1331 1 3 . 1 1 79 79 VAL H H 79 9.060 9.060 9.065 -0.005 17598 1332 1 3 . 1 1 80 80 ILE N N 80 126.656 126.656 123.853 2.803 17598 1333 1 3 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.404 0.091 17598 1334 1 3 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.590 1.593 17598 1335 1 3 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.542 1.745 17598 1336 1 3 . 1 1 80 80 ILE H H 80 8.812 8.812 8.845 -0.033 17598 1337 1 3 . 1 1 81 81 GLU N N 81 126.656 126.656 127.896 -1.240 17598 1338 1 3 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.889 -0.267 17598 1339 1 3 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.770 0.304 17598 1340 1 3 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.263 -0.620 17598 1341 1 3 . 1 1 81 81 GLU H H 81 8.283 8.283 8.698 -0.415 17598 1342 1 3 . 1 1 82 82 ILE N N 82 120.094 120.094 120.823 -0.729 17598 1343 1 3 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.005 0.028 17598 1344 1 3 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.785 1.444 17598 1345 1 3 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.430 0.608 17598 1346 1 3 . 1 1 82 82 ILE H H 82 8.252 8.252 8.502 -0.250 17598 1347 1 3 . 1 1 83 83 VAL N N 83 120.094 120.094 119.968 0.126 17598 1348 1 3 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.145 0.077 17598 1349 1 3 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.832 -0.609 17598 1350 1 3 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.485 -0.892 17598 1351 1 3 . 1 1 83 83 VAL H H 83 9.201 9.201 9.063 0.138 17598 1352 1 3 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.187 0.188 17598 1353 1 3 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.658 -0.617 17598 1354 1 3 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.184 -0.328 17598 1355 1 3 . 1 1 85 85 ASP N N 85 120.250 120.250 120.780 -0.530 17598 1356 1 3 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.569 -0.064 17598 1357 1 3 . 1 1 85 85 ASP CA C 85 52.497 52.497 53.744 -1.247 17598 1358 1 3 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.803 -0.569 17598 1359 1 3 . 1 1 85 85 ASP H H 85 8.083 8.083 8.512 -0.429 17598 1360 1 3 . 1 1 86 86 GLY N N 86 109.156 109.156 107.523 1.633 17598 1361 1 3 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.461 -0.409 17598 1362 1 3 . 1 1 86 86 GLY H H 86 8.160 8.160 8.520 -0.360 17598 1363 1 3 . 1 1 87 87 GLU N N 87 120.719 120.719 119.978 0.741 17598 1364 1 3 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.475 -0.034 17598 1365 1 3 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.068 -1.089 17598 1366 1 3 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.440 -0.278 17598 1367 1 3 . 1 1 87 87 GLU H H 87 8.663 8.663 8.528 0.135 17598 1368 1 3 . 1 1 88 88 GLY N N 88 109.312 109.312 107.201 2.111 17598 1369 1 3 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.563 0.202 17598 1370 1 3 . 1 1 88 88 GLY H H 88 8.417 8.417 7.932 0.485 17598 1371 1 3 . 1 1 89 89 ASN N N 89 119.625 119.625 118.704 0.921 17598 1372 1 3 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.730 0.267 17598 1373 1 3 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.685 -1.715 17598 1374 1 3 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.656 0.432 17598 1375 1 3 . 1 1 89 89 ASN H H 89 8.331 8.331 7.767 0.564 17598 1376 1 3 . 1 1 90 90 TRP N N 90 121.188 121.188 119.291 1.897 17598 1377 1 3 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.198 -0.037 17598 1378 1 3 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.739 0.031 17598 1379 1 3 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.663 0.598 17598 1380 1 3 . 1 1 90 90 TRP H H 90 8.538 8.538 8.375 0.163 17598 1381 1 3 . 1 1 91 91 LEU N N 91 121.031 121.031 119.334 1.697 17598 1382 1 3 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.798 0.017 17598 1383 1 3 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.283 0.073 17598 1384 1 3 . 1 1 91 91 LEU CB C 91 45.243 45.243 47.016 -1.773 17598 1385 1 3 . 1 1 91 91 LEU H H 91 9.518 9.518 9.081 0.437 17598 1386 1 3 . 1 1 92 92 GLU N N 92 119.156 119.156 121.377 -2.221 17598 1387 1 3 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.734 0.318 17598 1388 1 3 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.054 -0.694 17598 1389 1 3 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.710 0.692 17598 1390 1 3 . 1 1 92 92 GLU H H 92 8.490 8.490 8.589 -0.099 17598 1391 1 3 . 1 1 93 93 ARG N N 93 124.938 124.938 121.570 3.368 17598 1392 1 3 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.781 0.283 17598 1393 1 3 . 1 1 93 93 ARG CA C 93 52.694 52.694 53.244 -0.550 17598 1394 1 3 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.782 1.379 17598 1395 1 3 . 1 1 93 93 ARG H H 93 9.283 9.283 8.655 0.628 17598 1396 1 3 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.773 0.470 17598 1397 1 3 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.915 -0.662 17598 1398 1 3 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.149 1.425 17598 1399 1 3 . 1 1 95 95 ARG N N 95 120.416 120.416 125.274 -4.858 17598 1400 1 3 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.633 0.063 17598 1401 1 3 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.982 -0.359 17598 1402 1 3 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.554 -0.162 17598 1403 1 3 . 1 1 95 95 ARG H H 95 9.115 9.115 8.700 0.415 17598 1404 1 3 . 1 1 96 96 SER N N 96 115.719 115.719 118.758 -3.039 17598 1405 1 3 . 1 1 96 96 SER HA H 96 5.781 5.781 5.373 0.408 17598 1406 1 3 . 1 1 96 96 SER CA C 96 56.824 56.824 56.904 -0.080 17598 1407 1 3 . 1 1 96 96 SER CB C 96 65.906 65.906 64.516 1.390 17598 1408 1 3 . 1 1 96 96 SER H H 96 8.676 8.676 8.614 0.062 17598 1409 1 3 . 1 1 97 97 LEU N N 97 126.188 126.188 127.588 -1.400 17598 1410 1 3 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.654 0.219 17598 1411 1 3 . 1 1 97 97 LEU CA C 97 55.034 55.034 54.052 0.982 17598 1412 1 3 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.169 1.762 17598 1413 1 3 . 1 1 97 97 LEU H H 97 9.030 9.030 9.058 -0.028 17598 1414 1 3 . 1 1 98 98 THR N N 98 113.687 113.687 114.621 -0.934 17598 1415 1 3 . 1 1 98 98 THR HA H 98 4.869 4.869 4.619 0.250 17598 1416 1 3 . 1 1 98 98 THR CA C 98 60.265 60.265 60.541 -0.276 17598 1417 1 3 . 1 1 98 98 THR CB C 98 70.650 70.650 70.428 0.222 17598 1418 1 3 . 1 1 98 98 THR H H 98 8.410 8.410 8.174 0.236 17598 1419 1 3 . 1 1 99 99 LEU N N 99 126.344 126.344 124.168 2.176 17598 1420 1 3 . 1 1 99 99 LEU HA H 99 4.085 4.085 3.924 0.161 17598 1421 1 3 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.828 -1.057 17598 1422 1 3 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.369 0.684 17598 1423 1 3 . 1 1 99 99 LEU H H 99 7.806 7.806 8.302 -0.496 17598 1424 1 3 . 1 1 100 100 LYS N N 100 128.063 128.063 124.014 4.049 17598 1425 1 3 . 1 1 100 100 LYS HA H 100 4.395 4.395 3.916 0.479 17598 1426 1 3 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.955 -1.040 17598 1427 1 3 . 1 1 100 100 LYS CB C 100 33.060 33.060 30.724 2.336 17598 1428 1 3 . 1 1 100 100 LYS H H 100 8.816 8.816 8.515 0.301 17598 1429 1 3 . 1 1 101 101 GLU N N 101 123.531 123.531 119.196 4.335 17598 1430 1 3 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.177 -0.188 17598 1431 1 3 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.801 -0.831 17598 1432 1 3 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.528 0.061 17598 1433 1 3 . 1 1 101 101 GLU H H 101 8.323 8.323 7.853 0.470 17598 1434 1 3 . 1 1 102 102 ARG N N 102 122.965 122.965 120.718 2.247 17598 1435 1 3 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.543 -0.176 17598 1436 1 3 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.152 -0.378 17598 1437 1 3 . 1 1 102 102 ARG CB C 102 30.559 30.559 31.154 -0.595 17598 1438 1 3 . 1 1 102 102 ARG H H 102 8.414 8.414 8.539 -0.125 17598 1439 1 3 . 1 1 103 103 SER N N 103 117.435 117.435 116.508 0.927 17598 1440 1 3 . 1 1 103 103 SER HA H 103 4.431 4.431 4.655 -0.224 17598 1441 1 3 . 1 1 103 103 SER CA C 103 58.079 58.079 58.038 0.041 17598 1442 1 3 . 1 1 103 103 SER CB C 103 63.554 63.554 65.315 -1.761 17598 1443 1 3 . 1 1 103 103 SER H H 103 8.423 8.423 8.294 0.129 17598 1444 1 3 . 1 1 104 104 LEU N N 104 124.423 124.423 123.722 0.701 17598 1445 1 3 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.362 -0.038 17598 1446 1 3 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.496 0.628 17598 1447 1 3 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.097 -0.108 17598 1448 1 3 . 1 1 104 104 LEU H H 104 8.369 8.369 8.471 -0.102 17598 1449 1 3 . 1 1 105 105 GLU N N 105 120.875 120.875 122.678 -1.803 17598 1450 1 3 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.147 -0.133 17598 1451 1 3 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.112 1.833 17598 1452 1 3 . 1 1 105 105 GLU CB C 105 29.846 29.846 29.652 0.194 17598 1453 1 3 . 1 1 105 105 GLU H H 105 8.249 8.249 8.423 -0.174 17598 1454 1 3 . 1 1 106 106 HIS N N 106 120.719 120.719 123.218 -2.499 17598 1455 1 3 . 1 1 106 106 HIS CA C 106 56.608 56.608 54.470 2.138 17598 1456 1 3 . 1 1 106 106 HIS CB C 106 32.448 32.448 31.372 1.076 17598 1457 1 3 . 1 1 106 106 HIS H H 106 8.274 8.274 8.311 -0.037 17598 1458 1 3 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.761 -0.175 17598 1459 1 3 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.815 -0.011 17598 1460 1 3 . 1 1 107 107 HIS CB C 107 30.424 30.424 29.300 1.124 17598 1461 1 3 . 1 1 108 108 HIS N N 108 125.843 125.843 121.440 4.403 17598 1462 1 3 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.875 1.230 17598 1463 1 3 . 1 1 108 108 HIS CB C 108 30.424 30.424 30.340 0.084 17598 1464 1 3 . 1 1 108 108 HIS H H 108 7.941 7.941 8.699 -0.758 17598 1465 1 4 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.546 -0.171 17598 1466 1 4 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.306 1.044 17598 1467 1 4 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.963 -0.915 17598 1468 1 4 . 1 1 3 3 THR N N 3 114.937 114.937 117.168 -2.231 17598 1469 1 4 . 1 1 3 3 THR HA H 3 4.205 4.205 4.178 0.027 17598 1470 1 4 . 1 1 3 3 THR CA C 3 62.493 62.493 63.562 -1.069 17598 1471 1 4 . 1 1 3 3 THR CB C 3 69.391 69.391 69.191 0.200 17598 1472 1 4 . 1 1 3 3 THR H H 3 8.316 8.316 8.223 0.093 17598 1473 1 4 . 1 1 4 4 VAL N N 4 122.438 122.438 124.940 -2.502 17598 1474 1 4 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.176 -0.108 17598 1475 1 4 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.484 1.009 17598 1476 1 4 . 1 1 4 4 VAL CB C 4 32.358 32.358 34.898 -2.541 17598 1477 1 4 . 1 1 4 4 VAL H H 4 7.953 7.953 8.264 -0.311 17598 1478 1 4 . 1 1 5 5 ARG N N 5 124.781 124.781 124.040 0.741 17598 1479 1 4 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.643 -0.293 17598 1480 1 4 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.119 0.723 17598 1481 1 4 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.628 0.014 17598 1482 1 4 . 1 1 5 5 ARG H H 5 8.319 8.319 8.361 -0.042 17598 1483 1 4 . 1 1 6 6 GLN N N 6 121.656 121.656 122.954 -1.298 17598 1484 1 4 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.046 0.796 17598 1485 1 4 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.783 -1.594 17598 1486 1 4 . 1 1 6 6 GLN H H 6 8.373 8.373 8.442 -0.069 17598 1487 1 4 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.589 -0.780 17598 1488 1 4 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.305 -1.473 17598 1489 1 4 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.764 -3.701 17598 1490 1 4 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.844 -0.115 17598 1491 1 4 . 1 1 8 8 GLY H H 8 8.407 8.407 8.183 0.224 17598 1492 1 4 . 1 1 9 9 ASN N N 9 118.812 118.812 118.796 0.016 17598 1493 1 4 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.741 -0.025 17598 1494 1 4 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.300 -0.417 17598 1495 1 4 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.358 -0.466 17598 1496 1 4 . 1 1 9 9 ASN H H 9 8.337 8.337 8.439 -0.102 17598 1497 1 4 . 1 1 10 10 LYS N N 10 122.131 122.131 119.408 2.723 17598 1498 1 4 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.163 0.169 17598 1499 1 4 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.730 -0.760 17598 1500 1 4 . 1 1 10 10 LYS CB C 10 32.574 32.574 33.214 -0.640 17598 1501 1 4 . 1 1 10 10 LYS H H 10 8.253 8.253 8.328 -0.075 17598 1502 1 4 . 1 1 11 11 VAL N N 11 123.026 123.026 118.714 4.312 17598 1503 1 4 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.351 -0.215 17598 1504 1 4 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.251 0.754 17598 1505 1 4 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.448 -1.626 17598 1506 1 4 . 1 1 11 11 VAL H H 11 8.428 8.428 8.280 0.148 17598 1507 1 4 . 1 1 12 12 ILE N N 12 127.174 127.174 123.716 3.458 17598 1508 1 4 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.053 0.051 17598 1509 1 4 . 1 1 12 12 ILE CA C 12 60.002 60.002 61.720 -1.718 17598 1510 1 4 . 1 1 12 12 ILE CB C 12 37.733 37.733 37.875 -0.142 17598 1511 1 4 . 1 1 12 12 ILE H H 12 8.345 8.345 8.452 -0.107 17598 1512 1 4 . 1 1 13 13 LYS N N 13 122.906 122.906 127.454 -4.548 17598 1513 1 4 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.367 -0.550 17598 1514 1 4 . 1 1 13 13 LYS CA C 13 53.957 53.957 55.318 -1.361 17598 1515 1 4 . 1 1 13 13 LYS CB C 13 32.517 32.517 31.909 0.608 17598 1516 1 4 . 1 1 13 13 LYS H H 13 7.662 7.662 8.318 -0.656 17598 1517 1 4 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.207 -0.282 17598 1518 1 4 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.967 -0.430 17598 1519 1 4 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.803 -0.210 17598 1520 1 4 . 1 1 15 15 ASP N N 15 121.969 121.969 120.778 1.191 17598 1521 1 4 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.760 -0.237 17598 1522 1 4 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.484 0.490 17598 1523 1 4 . 1 1 15 15 ASP CB C 15 40.470 40.470 43.238 -2.768 17598 1524 1 4 . 1 1 15 15 ASP H H 15 8.607 8.607 8.072 0.535 17598 1525 1 4 . 1 1 16 16 GLU N N 16 126.813 126.813 118.692 8.121 17598 1526 1 4 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.303 -0.111 17598 1527 1 4 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.268 0.383 17598 1528 1 4 . 1 1 16 16 GLU CB C 16 29.207 29.207 30.185 -0.978 17598 1529 1 4 . 1 1 16 16 GLU H H 16 9.032 9.032 8.449 0.583 17598 1530 1 4 . 1 1 17 17 THR N N 17 110.875 110.875 114.721 -3.846 17598 1531 1 4 . 1 1 17 17 THR HA H 17 4.313 4.313 4.028 0.285 17598 1532 1 4 . 1 1 17 17 THR CA C 17 61.660 61.660 63.870 -2.210 17598 1533 1 4 . 1 1 17 17 THR CB C 17 69.392 69.392 69.047 0.345 17598 1534 1 4 . 1 1 17 17 THR H H 17 8.453 8.453 8.014 0.439 17598 1535 1 4 . 1 1 18 18 ARG N N 18 124.313 124.313 120.214 4.099 17598 1536 1 4 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.162 -0.055 17598 1537 1 4 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.024 -0.091 17598 1538 1 4 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.604 0.417 17598 1539 1 4 . 1 1 18 18 ARG H H 18 6.969 6.969 7.531 -0.562 17598 1540 1 4 . 1 1 19 19 VAL N N 19 127.750 127.750 119.637 8.113 17598 1541 1 4 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.982 -0.189 17598 1542 1 4 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.425 -0.895 17598 1543 1 4 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.221 -1.200 17598 1544 1 4 . 1 1 19 19 VAL H H 19 8.494 8.494 8.170 0.324 17598 1545 1 4 . 1 1 20 20 LYS N N 20 129.005 129.005 126.946 2.059 17598 1546 1 4 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.569 -0.487 17598 1547 1 4 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.742 2.055 17598 1548 1 4 . 1 1 20 20 LYS CB C 20 33.025 33.025 31.817 1.208 17598 1549 1 4 . 1 1 20 20 LYS H H 20 8.406 8.406 8.149 0.257 17598 1550 1 4 . 1 1 21 21 GLN N N 21 122.125 122.125 121.715 0.410 17598 1551 1 4 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.601 -0.170 17598 1552 1 4 . 1 1 21 21 GLN CA C 21 56.697 56.697 55.504 1.193 17598 1553 1 4 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.626 -0.419 17598 1554 1 4 . 1 1 21 21 GLN H H 21 9.783 9.783 8.327 1.456 17598 1555 1 4 . 1 1 22 22 PHE N N 22 126.785 126.785 119.434 7.351 17598 1556 1 4 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.474 -0.182 17598 1557 1 4 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.486 1.420 17598 1558 1 4 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.343 -0.238 17598 1559 1 4 . 1 1 22 22 PHE H H 22 9.214 9.214 8.594 0.620 17598 1560 1 4 . 1 1 23 23 LEU N N 23 115.846 115.846 118.820 -2.974 17598 1561 1 4 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.180 -0.060 17598 1562 1 4 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.315 0.043 17598 1563 1 4 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.490 -0.393 17598 1564 1 4 . 1 1 23 23 LEU H H 23 9.173 9.173 8.211 0.962 17598 1565 1 4 . 1 1 24 24 GLU N N 24 117.032 117.032 119.303 -2.271 17598 1566 1 4 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.400 0.411 17598 1567 1 4 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.552 -1.897 17598 1568 1 4 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.201 0.097 17598 1569 1 4 . 1 1 24 24 GLU H H 24 7.789 7.789 8.771 -0.982 17598 1570 1 4 . 1 1 25 25 GLY N N 25 105.050 105.050 105.837 -0.787 17598 1571 1 4 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.833 -0.426 17598 1572 1 4 . 1 1 25 25 GLY H H 25 7.640 7.640 7.382 0.258 17598 1573 1 4 . 1 1 26 26 PHE N N 26 115.467 115.467 118.622 -3.155 17598 1574 1 4 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.697 -0.193 17598 1575 1 4 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.138 -0.611 17598 1576 1 4 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.376 1.741 17598 1577 1 4 . 1 1 26 26 PHE H H 26 6.508 6.508 7.480 -0.972 17598 1578 1 4 . 1 1 27 27 ASN N N 27 118.006 118.006 116.484 1.522 17598 1579 1 4 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.673 -0.185 17598 1580 1 4 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.955 -0.926 17598 1581 1 4 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.786 -2.068 17598 1582 1 4 . 1 1 27 27 ASN H H 27 8.788 8.788 8.405 0.383 17598 1583 1 4 . 1 1 28 28 ILE N N 28 129.126 129.126 122.570 6.556 17598 1584 1 4 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.739 -0.051 17598 1585 1 4 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.875 2.032 17598 1586 1 4 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.468 0.575 17598 1587 1 4 . 1 1 28 28 ILE H H 28 9.557 9.557 8.635 0.922 17598 1588 1 4 . 1 1 29 29 GLU N N 29 120.068 120.068 119.080 0.988 17598 1589 1 4 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.072 0.157 17598 1590 1 4 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.614 -0.267 17598 1591 1 4 . 1 1 29 29 GLU CB C 29 28.129 28.129 29.450 -1.321 17598 1592 1 4 . 1 1 29 29 GLU H H 29 9.064 9.064 8.610 0.454 17598 1593 1 4 . 1 1 30 30 THR N N 30 109.404 109.404 111.382 -1.978 17598 1594 1 4 . 1 1 30 30 THR HA H 30 4.303 4.303 4.058 0.245 17598 1595 1 4 . 1 1 30 30 THR CA C 30 62.079 62.079 63.319 -1.240 17598 1596 1 4 . 1 1 30 30 THR CB C 30 69.583 69.583 68.333 1.250 17598 1597 1 4 . 1 1 30 30 THR H H 30 7.789 7.789 7.961 -0.172 17598 1598 1 4 . 1 1 31 31 PHE N N 31 120.250 120.250 120.319 -0.069 17598 1599 1 4 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.640 0.786 17598 1600 1 4 . 1 1 31 31 PHE CA C 31 55.456 55.456 56.704 -1.248 17598 1601 1 4 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.148 -0.155 17598 1602 1 4 . 1 1 31 31 PHE H H 31 7.236 7.236 6.986 0.250 17598 1603 1 4 . 1 1 32 32 GLU N N 32 118.531 118.531 118.396 0.135 17598 1604 1 4 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.610 0.177 17598 1605 1 4 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.759 -0.830 17598 1606 1 4 . 1 1 32 32 GLU CB C 32 33.693 33.693 31.862 1.831 17598 1607 1 4 . 1 1 32 32 GLU H H 32 8.644 8.644 9.255 -0.611 17598 1608 1 4 . 1 1 33 33 MET N N 33 127.438 127.438 127.326 0.112 17598 1609 1 4 . 1 1 33 33 MET HA H 33 4.643 4.643 4.187 0.456 17598 1610 1 4 . 1 1 33 33 MET CA C 33 56.411 56.411 57.264 -0.853 17598 1611 1 4 . 1 1 33 33 MET CB C 33 32.050 32.050 33.116 -1.066 17598 1612 1 4 . 1 1 33 33 MET H H 33 9.679 9.679 9.147 0.532 17598 1613 1 4 . 1 1 34 34 VAL N N 34 119.176 119.176 126.005 -6.829 17598 1614 1 4 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.547 0.227 17598 1615 1 4 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.691 -0.695 17598 1616 1 4 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.493 -0.644 17598 1617 1 4 . 1 1 34 34 VAL H H 34 8.897 8.897 8.567 0.330 17598 1618 1 4 . 1 1 35 35 GLY N N 35 108.249 108.249 107.899 0.350 17598 1619 1 4 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.854 -0.670 17598 1620 1 4 . 1 1 35 35 GLY H H 35 7.589 7.589 7.996 -0.407 17598 1621 1 4 . 1 1 36 36 THR N N 36 110.562 110.562 112.597 -2.035 17598 1622 1 4 . 1 1 36 36 THR HA H 36 5.088 5.088 4.590 0.498 17598 1623 1 4 . 1 1 36 36 THR CA C 36 60.060 60.060 60.581 -0.521 17598 1624 1 4 . 1 1 36 36 THR CB C 36 72.335 72.335 72.070 0.265 17598 1625 1 4 . 1 1 36 36 THR H H 36 8.300 8.300 8.061 0.239 17598 1626 1 4 . 1 1 37 37 LEU N N 37 122.334 122.334 124.058 -1.724 17598 1627 1 4 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.917 -0.212 17598 1628 1 4 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.445 1.076 17598 1629 1 4 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.529 0.786 17598 1630 1 4 . 1 1 37 37 LEU H H 37 8.886 8.886 8.828 0.058 17598 1631 1 4 . 1 1 38 38 SER N N 38 119.156 119.156 118.810 0.346 17598 1632 1 4 . 1 1 38 38 SER HA H 38 5.489 5.489 5.566 -0.077 17598 1633 1 4 . 1 1 38 38 SER CA C 38 56.819 56.819 57.115 -0.297 17598 1634 1 4 . 1 1 38 38 SER CB C 38 64.655 64.655 64.729 -0.074 17598 1635 1 4 . 1 1 38 38 SER H H 38 8.694 8.694 8.551 0.143 17598 1636 1 4 . 1 1 39 39 ASN N N 39 124.156 124.156 123.118 1.038 17598 1637 1 4 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.146 -1.342 17598 1638 1 4 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.278 -0.415 17598 1639 1 4 . 1 1 39 39 ASN H H 39 9.068 9.068 8.788 0.280 17598 1640 1 4 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.111 0.056 17598 1641 1 4 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.609 0.117 17598 1642 1 4 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.345 -0.134 17598 1643 1 4 . 1 1 41 41 GLN N N 41 114.937 114.937 116.917 -1.980 17598 1644 1 4 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.213 0.137 17598 1645 1 4 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.801 -0.106 17598 1646 1 4 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.726 -0.738 17598 1647 1 4 . 1 1 41 41 GLN H H 41 8.399 8.399 8.197 0.202 17598 1648 1 4 . 1 1 42 42 GLY N N 42 108.502 108.502 105.458 3.044 17598 1649 1 4 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.619 -0.048 17598 1650 1 4 . 1 1 42 42 GLY H H 42 7.892 7.892 7.698 0.194 17598 1651 1 4 . 1 1 43 43 THR N N 43 116.344 116.344 117.384 -1.040 17598 1652 1 4 . 1 1 43 43 THR HA H 43 3.749 3.749 5.201 -1.452 17598 1653 1 4 . 1 1 43 43 THR CA C 43 69.834 69.834 61.867 7.968 17598 1654 1 4 . 1 1 43 43 THR CB C 43 70.316 70.316 69.036 1.280 17598 1655 1 4 . 1 1 43 43 THR H H 43 7.762 7.762 7.855 -0.093 17598 1656 1 4 . 1 1 44 44 PHE N N 44 123.688 123.688 125.326 -1.638 17598 1657 1 4 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.683 0.423 17598 1658 1 4 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.171 -0.624 17598 1659 1 4 . 1 1 44 44 PHE CB C 44 41.905 41.905 41.902 0.003 17598 1660 1 4 . 1 1 44 44 PHE H H 44 9.283 9.283 9.206 0.077 17598 1661 1 4 . 1 1 45 45 ALA N N 45 122.438 122.438 122.870 -0.432 17598 1662 1 4 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.843 0.108 17598 1663 1 4 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.665 -0.555 17598 1664 1 4 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.322 0.315 17598 1665 1 4 . 1 1 45 45 ALA H H 45 9.579 9.579 9.264 0.315 17598 1666 1 4 . 1 1 46 46 LEU N N 46 121.500 121.500 125.019 -3.519 17598 1667 1 4 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.215 -0.072 17598 1668 1 4 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.775 -0.793 17598 1669 1 4 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.952 -0.534 17598 1670 1 4 . 1 1 46 46 LEU H H 46 8.472 8.472 8.898 -0.426 17598 1671 1 4 . 1 1 47 47 VAL N N 47 122.125 122.125 123.796 -1.671 17598 1672 1 4 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.440 0.475 17598 1673 1 4 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.755 -0.332 17598 1674 1 4 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.928 -1.100 17598 1675 1 4 . 1 1 47 47 VAL H H 47 9.175 9.175 8.878 0.297 17598 1676 1 4 . 1 1 48 48 LYS N N 48 129.000 129.000 123.971 5.029 17598 1677 1 4 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.047 0.151 17598 1678 1 4 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.724 1.002 17598 1679 1 4 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.668 -0.635 17598 1680 1 4 . 1 1 48 48 LYS H H 48 9.675 9.675 8.607 1.068 17598 1681 1 4 . 1 1 49 49 GLY N N 49 113.844 113.844 111.192 2.652 17598 1682 1 4 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.552 -0.676 17598 1683 1 4 . 1 1 49 49 GLY H H 49 8.792 8.792 8.238 0.554 17598 1684 1 4 . 1 1 50 50 ALA N N 50 123.844 123.844 123.915 -0.071 17598 1685 1 4 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.955 -0.503 17598 1686 1 4 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.462 -0.480 17598 1687 1 4 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.674 0.276 17598 1688 1 4 . 1 1 50 50 ALA H H 50 8.963 8.963 8.610 0.353 17598 1689 1 4 . 1 1 51 51 GLY N N 51 105.406 105.406 110.731 -5.325 17598 1690 1 4 . 1 1 51 51 GLY CA C 51 45.544 45.544 44.987 0.557 17598 1691 1 4 . 1 1 51 51 GLY H H 51 8.582 8.582 8.519 0.063 17598 1692 1 4 . 1 1 52 52 GLY N N 52 108.644 108.644 109.261 -0.617 17598 1693 1 4 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.204 -0.055 17598 1694 1 4 . 1 1 52 52 GLY H H 52 7.692 7.692 8.399 -0.707 17598 1695 1 4 . 1 1 53 53 VAL N N 53 121.656 121.656 121.392 0.264 17598 1696 1 4 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.774 -0.187 17598 1697 1 4 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.100 2.645 17598 1698 1 4 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.751 -0.784 17598 1699 1 4 . 1 1 53 53 VAL H H 53 7.928 7.928 8.052 -0.124 17598 1700 1 4 . 1 1 54 54 HIS N N 54 128.219 128.219 123.927 4.292 17598 1701 1 4 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.938 -0.315 17598 1702 1 4 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.050 0.816 17598 1703 1 4 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.453 1.849 17598 1704 1 4 . 1 1 54 54 HIS H H 54 9.188 9.188 8.821 0.367 17598 1705 1 4 . 1 1 55 55 ARG N N 55 122.125 122.125 125.318 -3.193 17598 1706 1 4 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.199 -0.172 17598 1707 1 4 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.384 -0.100 17598 1708 1 4 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.422 -0.665 17598 1709 1 4 . 1 1 55 55 ARG H H 55 8.816 8.816 8.715 0.101 17598 1710 1 4 . 1 1 56 56 VAL N N 56 124.229 124.229 118.309 5.920 17598 1711 1 4 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.964 -0.256 17598 1712 1 4 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.703 0.979 17598 1713 1 4 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.786 -0.319 17598 1714 1 4 . 1 1 56 56 VAL H H 56 9.444 9.444 9.060 0.384 17598 1715 1 4 . 1 1 57 57 ARG N N 57 124.554 124.554 121.753 2.801 17598 1716 1 4 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.656 0.167 17598 1717 1 4 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.770 -0.446 17598 1718 1 4 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.815 1.170 17598 1719 1 4 . 1 1 57 57 ARG H H 57 9.124 9.124 7.800 1.324 17598 1720 1 4 . 1 1 58 58 VAL N N 58 120.250 120.250 120.352 -0.102 17598 1721 1 4 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.674 -0.319 17598 1722 1 4 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.013 0.433 17598 1723 1 4 . 1 1 58 58 VAL CB C 58 30.932 30.932 31.721 -0.789 17598 1724 1 4 . 1 1 58 58 VAL H H 58 8.327 8.327 8.419 -0.092 17598 1725 1 4 . 1 1 59 59 GLY N N 59 117.437 117.437 116.423 1.014 17598 1726 1 4 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.519 0.056 17598 1727 1 4 . 1 1 59 59 GLY H H 59 9.097 9.097 8.618 0.479 17598 1728 1 4 . 1 1 60 60 ASP N N 60 121.031 121.031 122.851 -1.820 17598 1729 1 4 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.660 0.291 17598 1730 1 4 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.372 -1.030 17598 1731 1 4 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.474 0.284 17598 1732 1 4 . 1 1 60 60 ASP H H 60 7.800 7.800 7.957 -0.157 17598 1733 1 4 . 1 1 61 61 TYR N N 61 115.406 115.406 116.123 -0.717 17598 1734 1 4 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.300 0.290 17598 1735 1 4 . 1 1 61 61 TYR CA C 61 56.792 56.792 57.078 -0.286 17598 1736 1 4 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.659 0.911 17598 1737 1 4 . 1 1 61 61 TYR H H 61 7.834 7.834 8.494 -0.660 17598 1738 1 4 . 1 1 62 62 LEU N N 62 117.750 117.750 121.264 -3.514 17598 1739 1 4 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.719 -0.418 17598 1740 1 4 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.763 -0.766 17598 1741 1 4 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.971 0.799 17598 1742 1 4 . 1 1 62 62 LEU H H 62 9.362 9.362 8.625 0.737 17598 1743 1 4 . 1 1 63 63 GLY N N 63 107.303 107.303 110.572 -3.269 17598 1744 1 4 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.350 -1.062 17598 1745 1 4 . 1 1 63 63 GLY H H 63 7.945 7.945 7.943 0.002 17598 1746 1 4 . 1 1 64 64 ARG N N 64 113.687 113.687 119.720 -6.033 17598 1747 1 4 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.285 0.156 17598 1748 1 4 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.636 -0.367 17598 1749 1 4 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.698 0.048 17598 1750 1 4 . 1 1 64 64 ARG H H 64 8.424 8.424 8.304 0.120 17598 1751 1 4 . 1 1 65 65 ASN N N 65 121.626 121.626 115.944 5.682 17598 1752 1 4 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.812 0.687 17598 1753 1 4 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.728 0.628 17598 1754 1 4 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.385 1.131 17598 1755 1 4 . 1 1 65 65 ASN H H 65 9.529 9.529 8.142 1.387 17598 1756 1 4 . 1 1 66 66 ASP N N 66 116.656 116.656 117.550 -0.894 17598 1757 1 4 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.357 -0.458 17598 1758 1 4 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.430 -0.642 17598 1759 1 4 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.047 0.373 17598 1760 1 4 . 1 1 66 66 ASP H H 66 9.397 9.397 7.824 1.573 17598 1761 1 4 . 1 1 67 67 GLY N N 67 100.587 100.587 105.388 -4.801 17598 1762 1 4 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.182 2.829 17598 1763 1 4 . 1 1 67 67 GLY H H 67 7.424 7.424 8.229 -0.805 17598 1764 1 4 . 1 1 68 68 LYS N N 68 130.952 130.952 127.454 3.498 17598 1765 1 4 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.587 -0.739 17598 1766 1 4 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.490 -0.511 17598 1767 1 4 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.100 0.357 17598 1768 1 4 . 1 1 68 68 LYS H H 68 8.121 8.121 8.443 -0.322 17598 1769 1 4 . 1 1 69 69 VAL N N 69 126.813 126.813 126.346 0.467 17598 1770 1 4 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.927 0.185 17598 1771 1 4 . 1 1 69 69 VAL CA C 69 63.283 63.283 63.350 -0.067 17598 1772 1 4 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.433 0.301 17598 1773 1 4 . 1 1 69 69 VAL H H 69 9.113 9.113 8.411 0.702 17598 1774 1 4 . 1 1 70 70 VAL N N 70 122.594 122.594 121.837 0.757 17598 1775 1 4 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.567 0.038 17598 1776 1 4 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.758 -0.861 17598 1777 1 4 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.787 -1.144 17598 1778 1 4 . 1 1 70 70 VAL H H 70 8.968 8.968 8.664 0.304 17598 1779 1 4 . 1 1 71 71 GLY N N 71 110.562 110.562 108.768 1.794 17598 1780 1 4 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.405 1.794 17598 1781 1 4 . 1 1 71 71 GLY H H 71 7.638 7.638 8.102 -0.464 17598 1782 1 4 . 1 1 72 72 ILE N N 72 123.063 123.063 122.560 0.503 17598 1783 1 4 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.326 0.133 17598 1784 1 4 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.767 0.607 17598 1785 1 4 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.843 2.538 17598 1786 1 4 . 1 1 72 72 ILE H H 72 8.404 8.404 8.407 -0.003 17598 1787 1 4 . 1 1 73 73 SER N N 73 123.531 123.531 123.155 0.376 17598 1788 1 4 . 1 1 73 73 SER HA H 73 4.723 4.723 4.884 -0.161 17598 1789 1 4 . 1 1 73 73 SER CA C 73 56.220 56.220 56.681 -0.460 17598 1790 1 4 . 1 1 73 73 SER CB C 73 65.450 65.450 64.600 0.849 17598 1791 1 4 . 1 1 73 73 SER H H 73 8.801 8.801 8.909 -0.108 17598 1792 1 4 . 1 1 74 74 GLU N N 74 116.656 116.656 117.497 -0.841 17598 1793 1 4 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.433 -0.129 17598 1794 1 4 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.789 -1.059 17598 1795 1 4 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.367 -1.265 17598 1796 1 4 . 1 1 74 74 GLU H H 74 8.537 8.537 8.600 -0.063 17598 1797 1 4 . 1 1 75 75 GLY N N 75 102.989 102.989 106.042 -3.053 17598 1798 1 4 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.075 -0.057 17598 1799 1 4 . 1 1 75 75 GLY H H 75 8.124 8.124 8.107 0.017 17598 1800 1 4 . 1 1 76 76 LYS N N 76 120.094 120.094 118.010 2.084 17598 1801 1 4 . 1 1 76 76 LYS HA H 76 5.261 5.261 4.929 0.332 17598 1802 1 4 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.268 1.333 17598 1803 1 4 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.355 1.056 17598 1804 1 4 . 1 1 76 76 LYS H H 76 7.546 7.546 7.459 0.087 17598 1805 1 4 . 1 1 77 77 ILE N N 77 121.344 121.344 122.801 -1.457 17598 1806 1 4 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.625 -0.075 17598 1807 1 4 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.377 -0.530 17598 1808 1 4 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.174 0.442 17598 1809 1 4 . 1 1 77 77 ILE H H 77 8.776 8.776 8.677 0.099 17598 1810 1 4 . 1 1 78 78 ASP N N 78 126.813 126.813 129.446 -2.633 17598 1811 1 4 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.235 -0.034 17598 1812 1 4 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.527 -0.407 17598 1813 1 4 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.621 1.331 17598 1814 1 4 . 1 1 78 78 ASP H H 78 8.964 8.964 8.351 0.613 17598 1815 1 4 . 1 1 79 79 VAL N N 79 124.156 124.156 117.892 6.264 17598 1816 1 4 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.132 0.047 17598 1817 1 4 . 1 1 79 79 VAL CA C 79 59.274 59.274 60.163 -0.888 17598 1818 1 4 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.396 -0.317 17598 1819 1 4 . 1 1 79 79 VAL H H 79 9.060 9.060 9.180 -0.120 17598 1820 1 4 . 1 1 80 80 ILE N N 80 126.656 126.656 123.698 2.958 17598 1821 1 4 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.320 0.175 17598 1822 1 4 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.955 1.228 17598 1823 1 4 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.225 2.062 17598 1824 1 4 . 1 1 80 80 ILE H H 80 8.812 8.812 8.844 -0.032 17598 1825 1 4 . 1 1 81 81 GLU N N 81 126.656 126.656 128.200 -1.544 17598 1826 1 4 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.919 -0.297 17598 1827 1 4 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.937 0.137 17598 1828 1 4 . 1 1 81 81 GLU CB C 81 32.643 32.643 32.751 -0.108 17598 1829 1 4 . 1 1 81 81 GLU H H 81 8.283 8.283 8.376 -0.093 17598 1830 1 4 . 1 1 82 82 ILE N N 82 120.094 120.094 126.903 -6.809 17598 1831 1 4 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.682 0.351 17598 1832 1 4 . 1 1 82 82 ILE CA C 82 60.228 60.228 61.809 -1.581 17598 1833 1 4 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.789 0.249 17598 1834 1 4 . 1 1 82 82 ILE H H 82 8.252 8.252 8.603 -0.351 17598 1835 1 4 . 1 1 83 83 VAL N N 83 120.094 120.094 121.978 -1.884 17598 1836 1 4 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.037 0.185 17598 1837 1 4 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.699 -0.476 17598 1838 1 4 . 1 1 83 83 VAL CB C 83 33.593 33.593 33.852 -0.260 17598 1839 1 4 . 1 1 83 83 VAL H H 83 9.201 9.201 8.937 0.264 17598 1840 1 4 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.893 0.482 17598 1841 1 4 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.594 -0.552 17598 1842 1 4 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.279 -0.422 17598 1843 1 4 . 1 1 85 85 ASP N N 85 120.250 120.250 122.029 -1.779 17598 1844 1 4 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.483 0.022 17598 1845 1 4 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.128 -1.631 17598 1846 1 4 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.263 -1.029 17598 1847 1 4 . 1 1 85 85 ASP H H 85 8.083 8.083 8.393 -0.310 17598 1848 1 4 . 1 1 86 86 GLY N N 86 109.156 109.156 108.399 0.757 17598 1849 1 4 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.019 0.033 17598 1850 1 4 . 1 1 86 86 GLY H H 86 8.160 8.160 8.157 0.003 17598 1851 1 4 . 1 1 87 87 GLU N N 87 120.719 120.719 121.722 -1.003 17598 1852 1 4 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.407 0.034 17598 1853 1 4 . 1 1 87 87 GLU CA C 87 54.979 54.979 55.466 -0.487 17598 1854 1 4 . 1 1 87 87 GLU CB C 87 30.162 30.162 29.932 0.230 17598 1855 1 4 . 1 1 87 87 GLU H H 87 8.663 8.663 8.270 0.393 17598 1856 1 4 . 1 1 88 88 GLY N N 88 109.312 109.312 108.579 0.733 17598 1857 1 4 . 1 1 88 88 GLY CA C 88 44.765 44.765 45.327 -0.562 17598 1858 1 4 . 1 1 88 88 GLY H H 88 8.417 8.417 8.229 0.188 17598 1859 1 4 . 1 1 89 89 ASN N N 89 119.625 119.625 117.919 1.706 17598 1860 1 4 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.716 0.281 17598 1861 1 4 . 1 1 89 89 ASN CA C 89 50.970 50.970 51.877 -0.907 17598 1862 1 4 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.078 1.010 17598 1863 1 4 . 1 1 89 89 ASN H H 89 8.331 8.331 7.689 0.642 17598 1864 1 4 . 1 1 90 90 TRP N N 90 121.188 121.188 121.467 -0.279 17598 1865 1 4 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.157 0.004 17598 1866 1 4 . 1 1 90 90 TRP CA C 90 56.770 56.770 57.073 -0.303 17598 1867 1 4 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.376 0.885 17598 1868 1 4 . 1 1 90 90 TRP H H 90 8.538 8.538 8.415 0.123 17598 1869 1 4 . 1 1 91 91 LEU N N 91 121.031 121.031 119.059 1.972 17598 1870 1 4 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.819 -0.004 17598 1871 1 4 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.141 0.215 17598 1872 1 4 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.598 -1.355 17598 1873 1 4 . 1 1 91 91 LEU H H 91 9.518 9.518 8.989 0.529 17598 1874 1 4 . 1 1 92 92 GLU N N 92 119.156 119.156 121.253 -2.097 17598 1875 1 4 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.345 0.707 17598 1876 1 4 . 1 1 92 92 GLU CA C 92 55.360 55.360 57.484 -2.124 17598 1877 1 4 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.229 1.173 17598 1878 1 4 . 1 1 92 92 GLU H H 92 8.490 8.490 8.848 -0.358 17598 1879 1 4 . 1 1 93 93 ARG N N 93 124.938 124.938 121.940 2.998 17598 1880 1 4 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.728 0.336 17598 1881 1 4 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.828 -0.134 17598 1882 1 4 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.037 2.124 17598 1883 1 4 . 1 1 93 93 ARG H H 93 9.283 9.283 8.314 0.969 17598 1884 1 4 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.737 0.506 17598 1885 1 4 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.828 -0.575 17598 1886 1 4 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.216 1.358 17598 1887 1 4 . 1 1 95 95 ARG N N 95 120.416 120.416 124.638 -4.222 17598 1888 1 4 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.753 -0.057 17598 1889 1 4 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.440 0.183 17598 1890 1 4 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.725 -0.333 17598 1891 1 4 . 1 1 95 95 ARG H H 95 9.115 9.115 8.868 0.247 17598 1892 1 4 . 1 1 96 96 SER N N 96 115.719 115.719 117.532 -1.813 17598 1893 1 4 . 1 1 96 96 SER HA H 96 5.781 5.781 5.137 0.644 17598 1894 1 4 . 1 1 96 96 SER CA C 96 56.824 56.824 56.824 0.000 17598 1895 1 4 . 1 1 96 96 SER CB C 96 65.906 65.906 64.319 1.587 17598 1896 1 4 . 1 1 96 96 SER H H 96 8.676 8.676 8.546 0.130 17598 1897 1 4 . 1 1 97 97 LEU N N 97 126.188 126.188 127.890 -1.702 17598 1898 1 4 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.616 0.257 17598 1899 1 4 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.995 1.039 17598 1900 1 4 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.212 1.719 17598 1901 1 4 . 1 1 97 97 LEU H H 97 9.030 9.030 9.049 -0.019 17598 1902 1 4 . 1 1 98 98 THR N N 98 113.687 113.687 115.672 -1.985 17598 1903 1 4 . 1 1 98 98 THR HA H 98 4.869 4.869 4.453 0.416 17598 1904 1 4 . 1 1 98 98 THR CA C 98 60.265 60.265 60.973 -0.708 17598 1905 1 4 . 1 1 98 98 THR CB C 98 70.650 70.650 69.680 0.970 17598 1906 1 4 . 1 1 98 98 THR H H 98 8.410 8.410 8.274 0.136 17598 1907 1 4 . 1 1 99 99 LEU N N 99 126.344 126.344 123.848 2.496 17598 1908 1 4 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.078 0.007 17598 1909 1 4 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.375 -0.604 17598 1910 1 4 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.892 0.161 17598 1911 1 4 . 1 1 99 99 LEU H H 99 7.806 7.806 8.096 -0.290 17598 1912 1 4 . 1 1 100 100 LYS N N 100 128.063 128.063 125.131 2.932 17598 1913 1 4 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.152 0.243 17598 1914 1 4 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.478 -1.563 17598 1915 1 4 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.701 0.359 17598 1916 1 4 . 1 1 100 100 LYS H H 100 8.816 8.816 7.963 0.853 17598 1917 1 4 . 1 1 101 101 GLU N N 101 123.531 123.531 120.212 3.319 17598 1918 1 4 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.588 -0.599 17598 1919 1 4 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.348 0.622 17598 1920 1 4 . 1 1 101 101 GLU CB C 101 30.589 30.589 32.632 -2.043 17598 1921 1 4 . 1 1 101 101 GLU H H 101 8.323 8.323 8.297 0.026 17598 1922 1 4 . 1 1 102 102 ARG N N 102 122.965 122.965 120.953 2.012 17598 1923 1 4 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.647 -0.280 17598 1924 1 4 . 1 1 102 102 ARG CA C 102 55.774 55.774 55.393 0.381 17598 1925 1 4 . 1 1 102 102 ARG CB C 102 30.559 30.559 29.495 1.064 17598 1926 1 4 . 1 1 102 102 ARG H H 102 8.414 8.414 8.572 -0.158 17598 1927 1 4 . 1 1 103 103 SER N N 103 117.435 117.435 118.342 -0.907 17598 1928 1 4 . 1 1 103 103 SER HA H 103 4.431 4.431 4.536 -0.105 17598 1929 1 4 . 1 1 103 103 SER CA C 103 58.079 58.079 57.491 0.588 17598 1930 1 4 . 1 1 103 103 SER CB C 103 63.554 63.554 64.788 -1.234 17598 1931 1 4 . 1 1 103 103 SER H H 103 8.423 8.423 8.471 -0.048 17598 1932 1 4 . 1 1 104 104 LEU N N 104 124.423 124.423 123.703 0.720 17598 1933 1 4 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.238 0.086 17598 1934 1 4 . 1 1 104 104 LEU CA C 104 55.124 55.124 55.254 -0.130 17598 1935 1 4 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.034 -0.045 17598 1936 1 4 . 1 1 104 104 LEU H H 104 8.369 8.369 8.510 -0.141 17598 1937 1 4 . 1 1 105 105 GLU N N 105 120.875 120.875 125.333 -4.458 17598 1938 1 4 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.493 -0.479 17598 1939 1 4 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.449 2.496 17598 1940 1 4 . 1 1 105 105 GLU CB C 105 29.846 29.846 31.922 -2.076 17598 1941 1 4 . 1 1 105 105 GLU H H 105 8.249 8.249 8.576 -0.327 17598 1942 1 4 . 1 1 106 106 HIS N N 106 120.719 120.719 119.743 0.976 17598 1943 1 4 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.735 0.873 17598 1944 1 4 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.507 2.941 17598 1945 1 4 . 1 1 106 106 HIS H H 106 8.274 8.274 8.654 -0.380 17598 1946 1 4 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.768 -0.182 17598 1947 1 4 . 1 1 107 107 HIS CA C 107 55.804 55.804 54.706 1.099 17598 1948 1 4 . 1 1 107 107 HIS CB C 107 30.424 30.424 29.248 1.176 17598 1949 1 4 . 1 1 108 108 HIS N N 108 125.843 125.843 122.324 3.519 17598 1950 1 4 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.229 1.876 17598 1951 1 4 . 1 1 108 108 HIS CB C 108 30.424 30.424 28.113 2.311 17598 1952 1 4 . 1 1 108 108 HIS H H 108 7.941 7.941 7.871 0.070 17598 1953 1 5 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.568 -0.193 17598 1954 1 5 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.863 0.487 17598 1955 1 5 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.349 -0.301 17598 1956 1 5 . 1 1 3 3 THR N N 3 114.937 114.937 120.526 -5.589 17598 1957 1 5 . 1 1 3 3 THR HA H 3 4.205 4.205 4.363 -0.158 17598 1958 1 5 . 1 1 3 3 THR CA C 3 62.493 62.493 62.371 0.122 17598 1959 1 5 . 1 1 3 3 THR CB C 3 69.391 69.391 68.616 0.775 17598 1960 1 5 . 1 1 3 3 THR H H 3 8.316 8.316 8.661 -0.345 17598 1961 1 5 . 1 1 4 4 VAL N N 4 122.438 122.438 129.260 -6.822 17598 1962 1 5 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.062 0.006 17598 1963 1 5 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.205 0.288 17598 1964 1 5 . 1 1 4 4 VAL CB C 4 32.358 32.358 29.955 2.403 17598 1965 1 5 . 1 1 4 4 VAL H H 4 7.953 7.953 8.681 -0.728 17598 1966 1 5 . 1 1 5 5 ARG N N 5 124.781 124.781 122.694 2.087 17598 1967 1 5 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.786 -0.436 17598 1968 1 5 . 1 1 5 5 ARG CA C 5 55.842 55.842 54.516 1.326 17598 1969 1 5 . 1 1 5 5 ARG CB C 5 30.643 30.643 32.096 -1.453 17598 1970 1 5 . 1 1 5 5 ARG H H 5 8.319 8.319 7.808 0.511 17598 1971 1 5 . 1 1 6 6 GLN N N 6 121.656 121.656 120.368 1.288 17598 1972 1 5 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.791 0.051 17598 1973 1 5 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.130 0.059 17598 1974 1 5 . 1 1 6 6 GLN H H 6 8.373 8.373 8.521 -0.148 17598 1975 1 5 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.578 -0.769 17598 1976 1 5 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.859 -1.027 17598 1977 1 5 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.808 -3.745 17598 1978 1 5 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.282 0.447 17598 1979 1 5 . 1 1 8 8 GLY H H 8 8.407 8.407 8.235 0.172 17598 1980 1 5 . 1 1 9 9 ASN N N 9 118.812 118.812 118.610 0.202 17598 1981 1 5 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.686 0.030 17598 1982 1 5 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.948 -1.065 17598 1983 1 5 . 1 1 9 9 ASN CB C 9 38.892 38.892 38.892 -0.001 17598 1984 1 5 . 1 1 9 9 ASN H H 9 8.337 8.337 8.633 -0.296 17598 1985 1 5 . 1 1 10 10 LYS N N 10 122.131 122.131 120.598 1.533 17598 1986 1 5 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.497 -0.165 17598 1987 1 5 . 1 1 10 10 LYS CA C 10 55.970 55.970 55.829 0.141 17598 1988 1 5 . 1 1 10 10 LYS CB C 10 32.574 32.574 32.700 -0.126 17598 1989 1 5 . 1 1 10 10 LYS H H 10 8.253 8.253 7.746 0.507 17598 1990 1 5 . 1 1 11 11 VAL N N 11 123.026 123.026 118.429 4.597 17598 1991 1 5 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.017 0.119 17598 1992 1 5 . 1 1 11 11 VAL CA C 11 62.005 62.005 62.367 -0.361 17598 1993 1 5 . 1 1 11 11 VAL CB C 11 32.822 32.822 32.860 -0.038 17598 1994 1 5 . 1 1 11 11 VAL H H 11 8.428 8.428 7.793 0.635 17598 1995 1 5 . 1 1 12 12 ILE N N 12 127.174 127.174 115.778 11.396 17598 1996 1 5 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.477 -0.373 17598 1997 1 5 . 1 1 12 12 ILE CA C 12 60.002 60.002 59.781 0.221 17598 1998 1 5 . 1 1 12 12 ILE CB C 12 37.733 37.733 39.556 -1.823 17598 1999 1 5 . 1 1 12 12 ILE H H 12 8.345 8.345 7.961 0.384 17598 2000 1 5 . 1 1 13 13 LYS N N 13 122.906 122.906 121.008 1.898 17598 2001 1 5 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.501 -0.684 17598 2002 1 5 . 1 1 13 13 LYS CA C 13 53.957 53.957 55.136 -1.179 17598 2003 1 5 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.009 0.508 17598 2004 1 5 . 1 1 13 13 LYS H H 13 7.662 7.662 8.283 -0.621 17598 2005 1 5 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.287 -0.362 17598 2006 1 5 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.541 -0.004 17598 2007 1 5 . 1 1 14 14 PRO CB C 14 31.593 31.593 32.140 -0.547 17598 2008 1 5 . 1 1 15 15 ASP N N 15 121.969 121.969 118.403 3.566 17598 2009 1 5 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.765 -0.242 17598 2010 1 5 . 1 1 15 15 ASP CA C 15 52.974 52.974 54.112 -1.138 17598 2011 1 5 . 1 1 15 15 ASP CB C 15 40.470 40.470 40.906 -0.436 17598 2012 1 5 . 1 1 15 15 ASP H H 15 8.607 8.607 8.648 -0.041 17598 2013 1 5 . 1 1 16 16 GLU N N 16 126.813 126.813 118.519 8.294 17598 2014 1 5 . 1 1 16 16 GLU HA H 16 4.192 4.192 3.866 0.326 17598 2015 1 5 . 1 1 16 16 GLU CA C 16 57.651 57.651 58.715 -1.064 17598 2016 1 5 . 1 1 16 16 GLU CB C 16 29.207 29.207 28.520 0.687 17598 2017 1 5 . 1 1 16 16 GLU H H 16 9.032 9.032 8.338 0.694 17598 2018 1 5 . 1 1 17 17 THR N N 17 110.875 110.875 109.927 0.948 17598 2019 1 5 . 1 1 17 17 THR HA H 17 4.313 4.313 4.078 0.235 17598 2020 1 5 . 1 1 17 17 THR CA C 17 61.660 61.660 63.613 -1.953 17598 2021 1 5 . 1 1 17 17 THR CB C 17 69.392 69.392 68.766 0.626 17598 2022 1 5 . 1 1 17 17 THR H H 17 8.453 8.453 7.992 0.461 17598 2023 1 5 . 1 1 18 18 ARG N N 18 124.313 124.313 120.777 3.536 17598 2024 1 5 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.518 -0.411 17598 2025 1 5 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.480 0.453 17598 2026 1 5 . 1 1 18 18 ARG CB C 18 31.021 31.021 31.894 -0.873 17598 2027 1 5 . 1 1 18 18 ARG H H 18 6.969 6.969 8.036 -1.067 17598 2028 1 5 . 1 1 19 19 VAL N N 19 127.750 127.750 119.396 8.354 17598 2029 1 5 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.234 -0.441 17598 2030 1 5 . 1 1 19 19 VAL CA C 19 62.530 62.530 61.902 0.628 17598 2031 1 5 . 1 1 19 19 VAL CB C 19 31.021 31.021 33.608 -2.587 17598 2032 1 5 . 1 1 19 19 VAL H H 19 8.494 8.494 8.197 0.297 17598 2033 1 5 . 1 1 20 20 LYS N N 20 129.005 129.005 127.838 1.167 17598 2034 1 5 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.599 -0.517 17598 2035 1 5 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.807 0.990 17598 2036 1 5 . 1 1 20 20 LYS CB C 20 33.025 33.025 33.306 -0.281 17598 2037 1 5 . 1 1 20 20 LYS H H 20 8.406 8.406 8.676 -0.270 17598 2038 1 5 . 1 1 21 21 GLN N N 21 122.125 122.125 117.542 4.583 17598 2039 1 5 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.610 -0.179 17598 2040 1 5 . 1 1 21 21 GLN CA C 21 56.697 56.697 55.270 1.427 17598 2041 1 5 . 1 1 21 21 GLN CB C 21 29.207 29.207 31.769 -2.562 17598 2042 1 5 . 1 1 21 21 GLN H H 21 9.783 9.783 7.411 2.372 17598 2043 1 5 . 1 1 22 22 PHE N N 22 126.785 126.785 120.862 5.923 17598 2044 1 5 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.560 -0.268 17598 2045 1 5 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.377 1.529 17598 2046 1 5 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.483 -0.378 17598 2047 1 5 . 1 1 22 22 PHE H H 22 9.214 9.214 8.633 0.581 17598 2048 1 5 . 1 1 23 23 LEU N N 23 115.846 115.846 119.839 -3.993 17598 2049 1 5 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.226 -0.106 17598 2050 1 5 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.461 -0.103 17598 2051 1 5 . 1 1 23 23 LEU CB C 23 40.097 40.097 39.903 0.194 17598 2052 1 5 . 1 1 23 23 LEU H H 23 9.173 9.173 8.015 1.158 17598 2053 1 5 . 1 1 24 24 GLU N N 24 117.032 117.032 118.879 -1.847 17598 2054 1 5 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.458 0.353 17598 2055 1 5 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.675 -1.020 17598 2056 1 5 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.248 0.050 17598 2057 1 5 . 1 1 24 24 GLU H H 24 7.789 7.789 8.486 -0.697 17598 2058 1 5 . 1 1 25 25 GLY N N 25 105.050 105.050 106.162 -1.112 17598 2059 1 5 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.222 0.185 17598 2060 1 5 . 1 1 25 25 GLY H H 25 7.640 7.640 7.303 0.337 17598 2061 1 5 . 1 1 26 26 PHE N N 26 115.467 115.467 117.656 -2.189 17598 2062 1 5 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.672 -0.168 17598 2063 1 5 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.806 -0.279 17598 2064 1 5 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.361 1.756 17598 2065 1 5 . 1 1 26 26 PHE H H 26 6.508 6.508 7.313 -0.805 17598 2066 1 5 . 1 1 27 27 ASN N N 27 118.006 118.006 117.751 0.255 17598 2067 1 5 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.542 -0.054 17598 2068 1 5 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.927 -0.898 17598 2069 1 5 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.806 -1.088 17598 2070 1 5 . 1 1 27 27 ASN H H 27 8.788 8.788 8.626 0.162 17598 2071 1 5 . 1 1 28 28 ILE N N 28 129.126 129.126 120.663 8.463 17598 2072 1 5 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.815 -0.127 17598 2073 1 5 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.244 1.663 17598 2074 1 5 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.483 0.560 17598 2075 1 5 . 1 1 28 28 ILE H H 28 9.557 9.557 8.098 1.459 17598 2076 1 5 . 1 1 29 29 GLU N N 29 120.068 120.068 119.801 0.267 17598 2077 1 5 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.187 0.042 17598 2078 1 5 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.794 -0.447 17598 2079 1 5 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.933 -0.805 17598 2080 1 5 . 1 1 29 29 GLU H H 29 9.064 9.064 8.813 0.251 17598 2081 1 5 . 1 1 30 30 THR N N 30 109.404 109.404 109.317 0.087 17598 2082 1 5 . 1 1 30 30 THR HA H 30 4.303 4.303 4.082 0.221 17598 2083 1 5 . 1 1 30 30 THR CA C 30 62.079 62.079 63.910 -1.831 17598 2084 1 5 . 1 1 30 30 THR CB C 30 69.583 69.583 68.860 0.723 17598 2085 1 5 . 1 1 30 30 THR H H 30 7.789 7.789 7.772 0.017 17598 2086 1 5 . 1 1 31 31 PHE N N 31 120.250 120.250 119.826 0.424 17598 2087 1 5 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.982 0.444 17598 2088 1 5 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.320 0.136 17598 2089 1 5 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.065 -0.071 17598 2090 1 5 . 1 1 31 31 PHE H H 31 7.236 7.236 7.103 0.133 17598 2091 1 5 . 1 1 32 32 GLU N N 32 118.531 118.531 120.862 -2.331 17598 2092 1 5 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.751 0.036 17598 2093 1 5 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.059 -1.129 17598 2094 1 5 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.413 0.280 17598 2095 1 5 . 1 1 32 32 GLU H H 32 8.644 8.644 9.358 -0.714 17598 2096 1 5 . 1 1 33 33 MET N N 33 127.438 127.438 127.050 0.388 17598 2097 1 5 . 1 1 33 33 MET HA H 33 4.643 4.643 4.237 0.406 17598 2098 1 5 . 1 1 33 33 MET CA C 33 56.411 56.411 57.545 -1.134 17598 2099 1 5 . 1 1 33 33 MET CB C 33 32.050 32.050 33.175 -1.125 17598 2100 1 5 . 1 1 33 33 MET H H 33 9.679 9.679 9.105 0.574 17598 2101 1 5 . 1 1 34 34 VAL N N 34 119.176 119.176 120.816 -1.640 17598 2102 1 5 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.731 0.043 17598 2103 1 5 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.495 -0.499 17598 2104 1 5 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.592 -0.743 17598 2105 1 5 . 1 1 34 34 VAL H H 34 8.897 8.897 8.801 0.096 17598 2106 1 5 . 1 1 35 35 GLY N N 35 108.249 108.249 108.720 -0.471 17598 2107 1 5 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.499 -0.315 17598 2108 1 5 . 1 1 35 35 GLY H H 35 7.589 7.589 8.092 -0.503 17598 2109 1 5 . 1 1 36 36 THR N N 36 110.562 110.562 113.010 -2.448 17598 2110 1 5 . 1 1 36 36 THR HA H 36 5.088 5.088 4.598 0.490 17598 2111 1 5 . 1 1 36 36 THR CA C 36 60.060 60.060 61.090 -1.030 17598 2112 1 5 . 1 1 36 36 THR CB C 36 72.335 72.335 71.401 0.934 17598 2113 1 5 . 1 1 36 36 THR H H 36 8.300 8.300 8.066 0.234 17598 2114 1 5 . 1 1 37 37 LEU N N 37 122.334 122.334 124.835 -2.501 17598 2115 1 5 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.898 -0.193 17598 2116 1 5 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.139 1.381 17598 2117 1 5 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.597 1.718 17598 2118 1 5 . 1 1 37 37 LEU H H 37 8.886 8.886 8.743 0.143 17598 2119 1 5 . 1 1 38 38 SER N N 38 119.156 119.156 118.029 1.127 17598 2120 1 5 . 1 1 38 38 SER HA H 38 5.489 5.489 5.421 0.068 17598 2121 1 5 . 1 1 38 38 SER CA C 38 56.819 56.819 57.113 -0.294 17598 2122 1 5 . 1 1 38 38 SER CB C 38 64.655 64.655 65.064 -0.409 17598 2123 1 5 . 1 1 38 38 SER H H 38 8.694 8.694 8.496 0.198 17598 2124 1 5 . 1 1 39 39 ASN N N 39 124.156 124.156 122.320 1.836 17598 2125 1 5 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.222 -1.418 17598 2126 1 5 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.968 -0.105 17598 2127 1 5 . 1 1 39 39 ASN H H 39 9.068 9.068 8.824 0.244 17598 2128 1 5 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.117 0.050 17598 2129 1 5 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.689 0.037 17598 2130 1 5 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.247 -0.036 17598 2131 1 5 . 1 1 41 41 GLN N N 41 114.937 114.937 117.034 -2.097 17598 2132 1 5 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.275 0.075 17598 2133 1 5 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.586 0.109 17598 2134 1 5 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.578 -0.590 17598 2135 1 5 . 1 1 41 41 GLN H H 41 8.399 8.399 8.223 0.176 17598 2136 1 5 . 1 1 42 42 GLY N N 42 108.502 108.502 106.378 2.124 17598 2137 1 5 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.452 0.119 17598 2138 1 5 . 1 1 42 42 GLY H H 42 7.892 7.892 7.622 0.270 17598 2139 1 5 . 1 1 43 43 THR N N 43 116.344 116.344 117.172 -0.828 17598 2140 1 5 . 1 1 43 43 THR HA H 43 3.749 3.749 5.003 -1.254 17598 2141 1 5 . 1 1 43 43 THR CA C 43 69.834 69.834 61.641 8.193 17598 2142 1 5 . 1 1 43 43 THR CB C 43 70.316 70.316 69.239 1.077 17598 2143 1 5 . 1 1 43 43 THR H H 43 7.762 7.762 7.862 -0.100 17598 2144 1 5 . 1 1 44 44 PHE N N 44 123.688 123.688 125.485 -1.797 17598 2145 1 5 . 1 1 44 44 PHE HA H 44 5.106 5.106 5.024 0.082 17598 2146 1 5 . 1 1 44 44 PHE CA C 44 55.547 55.547 55.814 -0.267 17598 2147 1 5 . 1 1 44 44 PHE CB C 44 41.905 41.905 41.231 0.673 17598 2148 1 5 . 1 1 44 44 PHE H H 44 9.283 9.283 8.893 0.390 17598 2149 1 5 . 1 1 45 45 ALA N N 45 122.438 122.438 122.717 -0.279 17598 2150 1 5 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.817 0.134 17598 2151 1 5 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.613 -0.503 17598 2152 1 5 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.031 0.606 17598 2153 1 5 . 1 1 45 45 ALA H H 45 9.579 9.579 9.082 0.497 17598 2154 1 5 . 1 1 46 46 LEU N N 46 121.500 121.500 125.926 -4.426 17598 2155 1 5 . 1 1 46 46 LEU HA H 46 5.143 5.143 4.857 0.286 17598 2156 1 5 . 1 1 46 46 LEU CA C 46 52.982 52.982 54.185 -1.203 17598 2157 1 5 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.423 -0.005 17598 2158 1 5 . 1 1 46 46 LEU H H 46 8.472 8.472 8.731 -0.259 17598 2159 1 5 . 1 1 47 47 VAL N N 47 122.125 122.125 124.220 -2.095 17598 2160 1 5 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.568 0.347 17598 2161 1 5 . 1 1 47 47 VAL CA C 47 59.423 59.423 58.806 0.617 17598 2162 1 5 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.477 -1.649 17598 2163 1 5 . 1 1 47 47 VAL H H 47 9.175 9.175 8.915 0.260 17598 2164 1 5 . 1 1 48 48 LYS N N 48 129.000 129.000 124.444 4.556 17598 2165 1 5 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.742 0.456 17598 2166 1 5 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.230 0.496 17598 2167 1 5 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.714 -0.681 17598 2168 1 5 . 1 1 48 48 LYS H H 48 9.675 9.675 8.659 1.016 17598 2169 1 5 . 1 1 49 49 GLY N N 49 113.844 113.844 110.582 3.262 17598 2170 1 5 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.756 -0.880 17598 2171 1 5 . 1 1 49 49 GLY H H 49 8.792 8.792 8.593 0.199 17598 2172 1 5 . 1 1 50 50 ALA N N 50 123.844 123.844 121.678 2.166 17598 2173 1 5 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.581 -0.129 17598 2174 1 5 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.978 0.004 17598 2175 1 5 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.132 -0.182 17598 2176 1 5 . 1 1 50 50 ALA H H 50 8.963 8.963 8.848 0.115 17598 2177 1 5 . 1 1 51 51 GLY N N 51 105.406 105.406 103.431 1.975 17598 2178 1 5 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.279 0.265 17598 2179 1 5 . 1 1 51 51 GLY H H 51 8.582 8.582 8.358 0.224 17598 2180 1 5 . 1 1 52 52 GLY N N 52 108.644 108.644 106.670 1.974 17598 2181 1 5 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.043 0.106 17598 2182 1 5 . 1 1 52 52 GLY H H 52 7.692 7.692 7.842 -0.150 17598 2183 1 5 . 1 1 53 53 VAL N N 53 121.656 121.656 116.995 4.661 17598 2184 1 5 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.642 -0.055 17598 2185 1 5 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.359 2.386 17598 2186 1 5 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.484 -0.517 17598 2187 1 5 . 1 1 53 53 VAL H H 53 7.928 7.928 8.389 -0.461 17598 2188 1 5 . 1 1 54 54 HIS N N 54 128.219 128.219 125.167 3.052 17598 2189 1 5 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.057 -0.434 17598 2190 1 5 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.207 0.659 17598 2191 1 5 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.252 1.051 17598 2192 1 5 . 1 1 54 54 HIS H H 54 9.188 9.188 8.903 0.285 17598 2193 1 5 . 1 1 55 55 ARG N N 55 122.125 122.125 121.871 0.254 17598 2194 1 5 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.442 -0.415 17598 2195 1 5 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.878 0.406 17598 2196 1 5 . 1 1 55 55 ARG CB C 55 30.757 30.757 33.329 -2.572 17598 2197 1 5 . 1 1 55 55 ARG H H 55 8.816 8.816 8.575 0.241 17598 2198 1 5 . 1 1 56 56 VAL N N 56 124.229 124.229 117.784 6.445 17598 2199 1 5 . 1 1 56 56 VAL HA H 56 4.708 4.708 5.016 -0.308 17598 2200 1 5 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.772 0.910 17598 2201 1 5 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.461 0.006 17598 2202 1 5 . 1 1 56 56 VAL H H 56 9.444 9.444 8.874 0.570 17598 2203 1 5 . 1 1 57 57 ARG N N 57 124.554 124.554 122.771 1.783 17598 2204 1 5 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.716 0.107 17598 2205 1 5 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.421 -0.097 17598 2206 1 5 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.377 1.608 17598 2207 1 5 . 1 1 57 57 ARG H H 57 9.124 9.124 8.099 1.025 17598 2208 1 5 . 1 1 58 58 VAL N N 58 120.250 120.250 120.737 -0.487 17598 2209 1 5 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.489 -0.134 17598 2210 1 5 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.365 0.081 17598 2211 1 5 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.217 0.715 17598 2212 1 5 . 1 1 58 58 VAL H H 58 8.327 8.327 8.249 0.078 17598 2213 1 5 . 1 1 59 59 GLY N N 59 117.437 117.437 116.601 0.836 17598 2214 1 5 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.533 0.042 17598 2215 1 5 . 1 1 59 59 GLY H H 59 9.097 9.097 8.721 0.376 17598 2216 1 5 . 1 1 60 60 ASP N N 60 121.031 121.031 121.795 -0.764 17598 2217 1 5 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.607 0.344 17598 2218 1 5 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.116 -0.774 17598 2219 1 5 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.760 -0.002 17598 2220 1 5 . 1 1 60 60 ASP H H 60 7.800 7.800 8.052 -0.252 17598 2221 1 5 . 1 1 61 61 TYR N N 61 115.406 115.406 116.378 -0.972 17598 2222 1 5 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.549 0.041 17598 2223 1 5 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.771 0.021 17598 2224 1 5 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.794 0.776 17598 2225 1 5 . 1 1 61 61 TYR H H 61 7.834 7.834 8.319 -0.485 17598 2226 1 5 . 1 1 62 62 LEU N N 62 117.750 117.750 117.038 0.712 17598 2227 1 5 . 1 1 62 62 LEU HA H 62 4.301 4.301 5.178 -0.877 17598 2228 1 5 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.223 -0.226 17598 2229 1 5 . 1 1 62 62 LEU CB C 62 46.770 46.770 46.179 0.591 17598 2230 1 5 . 1 1 62 62 LEU H H 62 9.362 9.362 8.827 0.535 17598 2231 1 5 . 1 1 63 63 GLY N N 63 107.303 107.303 107.035 0.268 17598 2232 1 5 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.106 -0.818 17598 2233 1 5 . 1 1 63 63 GLY H H 63 7.945 7.945 8.139 -0.194 17598 2234 1 5 . 1 1 64 64 ARG N N 64 113.687 113.687 120.160 -6.473 17598 2235 1 5 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.181 0.260 17598 2236 1 5 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.885 -0.616 17598 2237 1 5 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.631 0.115 17598 2238 1 5 . 1 1 64 64 ARG H H 64 8.424 8.424 8.349 0.075 17598 2239 1 5 . 1 1 65 65 ASN N N 65 121.626 121.626 115.204 6.422 17598 2240 1 5 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.767 0.732 17598 2241 1 5 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.818 0.538 17598 2242 1 5 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.233 1.283 17598 2243 1 5 . 1 1 65 65 ASN H H 65 9.529 9.529 8.099 1.430 17598 2244 1 5 . 1 1 66 66 ASP N N 66 116.656 116.656 116.617 0.039 17598 2245 1 5 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.295 -0.396 17598 2246 1 5 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.317 -0.529 17598 2247 1 5 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.390 1.030 17598 2248 1 5 . 1 1 66 66 ASP H H 66 9.397 9.397 7.829 1.568 17598 2249 1 5 . 1 1 67 67 GLY N N 67 100.587 100.587 106.053 -5.466 17598 2250 1 5 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.257 2.755 17598 2251 1 5 . 1 1 67 67 GLY H H 67 7.424 7.424 8.307 -0.883 17598 2252 1 5 . 1 1 68 68 LYS N N 68 130.952 130.952 128.453 2.499 17598 2253 1 5 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.774 -0.926 17598 2254 1 5 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.703 0.277 17598 2255 1 5 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.753 -0.296 17598 2256 1 5 . 1 1 68 68 LYS H H 68 8.121 8.121 8.884 -0.763 17598 2257 1 5 . 1 1 69 69 VAL N N 69 126.813 126.813 127.616 -0.803 17598 2258 1 5 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.808 0.304 17598 2259 1 5 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.413 -1.131 17598 2260 1 5 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.394 -0.660 17598 2261 1 5 . 1 1 69 69 VAL H H 69 9.113 9.113 8.493 0.620 17598 2262 1 5 . 1 1 70 70 VAL N N 70 122.594 122.594 124.193 -1.599 17598 2263 1 5 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.499 0.106 17598 2264 1 5 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.465 -0.568 17598 2265 1 5 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.577 -0.933 17598 2266 1 5 . 1 1 70 70 VAL H H 70 8.968 8.968 8.604 0.364 17598 2267 1 5 . 1 1 71 71 GLY N N 71 110.562 110.562 109.285 1.277 17598 2268 1 5 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.416 1.782 17598 2269 1 5 . 1 1 71 71 GLY H H 71 7.638 7.638 8.065 -0.427 17598 2270 1 5 . 1 1 72 72 ILE N N 72 123.063 123.063 121.651 1.412 17598 2271 1 5 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.302 0.157 17598 2272 1 5 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.673 0.701 17598 2273 1 5 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.716 1.665 17598 2274 1 5 . 1 1 72 72 ILE H H 72 8.404 8.404 8.388 0.016 17598 2275 1 5 . 1 1 73 73 SER N N 73 123.531 123.531 121.919 1.612 17598 2276 1 5 . 1 1 73 73 SER HA H 73 4.723 4.723 4.831 -0.108 17598 2277 1 5 . 1 1 73 73 SER CA C 73 56.220 56.220 56.183 0.037 17598 2278 1 5 . 1 1 73 73 SER CB C 73 65.450 65.450 64.849 0.601 17598 2279 1 5 . 1 1 73 73 SER H H 73 8.801 8.801 8.874 -0.073 17598 2280 1 5 . 1 1 74 74 GLU N N 74 116.656 116.656 117.787 -1.131 17598 2281 1 5 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.425 -0.121 17598 2282 1 5 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.652 -0.922 17598 2283 1 5 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.525 -1.423 17598 2284 1 5 . 1 1 74 74 GLU H H 74 8.537 8.537 8.486 0.051 17598 2285 1 5 . 1 1 75 75 GLY N N 75 102.989 102.989 106.237 -3.248 17598 2286 1 5 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.983 0.035 17598 2287 1 5 . 1 1 75 75 GLY H H 75 8.124 8.124 7.975 0.149 17598 2288 1 5 . 1 1 76 76 LYS N N 76 120.094 120.094 118.250 1.844 17598 2289 1 5 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.141 0.120 17598 2290 1 5 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.518 1.083 17598 2291 1 5 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.069 0.342 17598 2292 1 5 . 1 1 76 76 LYS H H 76 7.546 7.546 7.600 -0.054 17598 2293 1 5 . 1 1 77 77 ILE N N 77 121.344 121.344 121.894 -0.550 17598 2294 1 5 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.637 -0.087 17598 2295 1 5 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.904 0.944 17598 2296 1 5 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.218 1.398 17598 2297 1 5 . 1 1 77 77 ILE H H 77 8.776 8.776 8.663 0.113 17598 2298 1 5 . 1 1 78 78 ASP N N 78 126.813 126.813 129.078 -2.265 17598 2299 1 5 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.145 0.056 17598 2300 1 5 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.392 -0.272 17598 2301 1 5 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.672 1.280 17598 2302 1 5 . 1 1 78 78 ASP H H 78 8.964 8.964 8.440 0.524 17598 2303 1 5 . 1 1 79 79 VAL N N 79 124.156 124.156 116.057 8.099 17598 2304 1 5 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.050 0.129 17598 2305 1 5 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.416 -0.142 17598 2306 1 5 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.227 -0.148 17598 2307 1 5 . 1 1 79 79 VAL H H 79 9.060 9.060 9.233 -0.173 17598 2308 1 5 . 1 1 80 80 ILE N N 80 126.656 126.656 122.240 4.416 17598 2309 1 5 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.670 -0.175 17598 2310 1 5 . 1 1 80 80 ILE CA C 80 61.183 61.183 58.988 2.195 17598 2311 1 5 . 1 1 80 80 ILE CB C 80 39.287 39.287 38.258 1.029 17598 2312 1 5 . 1 1 80 80 ILE H H 80 8.812 8.812 9.003 -0.191 17598 2313 1 5 . 1 1 81 81 GLU N N 81 126.656 126.656 127.792 -1.136 17598 2314 1 5 . 1 1 81 81 GLU HA H 81 4.622 4.622 5.010 -0.388 17598 2315 1 5 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.510 0.564 17598 2316 1 5 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.219 -0.576 17598 2317 1 5 . 1 1 81 81 GLU H H 81 8.283 8.283 8.781 -0.498 17598 2318 1 5 . 1 1 82 82 ILE N N 82 120.094 120.094 121.080 -0.986 17598 2319 1 5 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.768 0.265 17598 2320 1 5 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.978 1.250 17598 2321 1 5 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.066 0.972 17598 2322 1 5 . 1 1 82 82 ILE H H 82 8.252 8.252 8.596 -0.344 17598 2323 1 5 . 1 1 83 83 VAL N N 83 120.094 120.094 126.346 -6.252 17598 2324 1 5 . 1 1 83 83 VAL HA H 83 5.222 5.222 4.839 0.383 17598 2325 1 5 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.477 -0.254 17598 2326 1 5 . 1 1 83 83 VAL CB C 83 33.593 33.593 36.031 -2.438 17598 2327 1 5 . 1 1 83 83 VAL H H 83 9.201 9.201 9.113 0.088 17598 2328 1 5 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.839 0.536 17598 2329 1 5 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.381 -0.339 17598 2330 1 5 . 1 1 84 84 PRO CB C 84 31.857 31.857 31.636 0.221 17598 2331 1 5 . 1 1 85 85 ASP N N 85 120.250 120.250 124.284 -4.034 17598 2332 1 5 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.394 0.111 17598 2333 1 5 . 1 1 85 85 ASP CA C 85 52.497 52.497 55.663 -3.166 17598 2334 1 5 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.058 -0.824 17598 2335 1 5 . 1 1 85 85 ASP H H 85 8.083 8.083 8.546 -0.463 17598 2336 1 5 . 1 1 86 86 GLY N N 86 109.156 109.156 106.202 2.954 17598 2337 1 5 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.096 -0.044 17598 2338 1 5 . 1 1 86 86 GLY H H 86 8.160 8.160 8.248 -0.088 17598 2339 1 5 . 1 1 87 87 GLU N N 87 120.719 120.719 119.867 0.852 17598 2340 1 5 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.373 0.068 17598 2341 1 5 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.532 -1.553 17598 2342 1 5 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.827 -0.665 17598 2343 1 5 . 1 1 87 87 GLU H H 87 8.663 8.663 7.932 0.731 17598 2344 1 5 . 1 1 88 88 GLY N N 88 109.312 109.312 106.598 2.714 17598 2345 1 5 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.695 0.070 17598 2346 1 5 . 1 1 88 88 GLY H H 88 8.417 8.417 8.274 0.143 17598 2347 1 5 . 1 1 89 89 ASN N N 89 119.625 119.625 118.282 1.343 17598 2348 1 5 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.802 0.195 17598 2349 1 5 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.127 -1.157 17598 2350 1 5 . 1 1 89 89 ASN CB C 89 40.088 40.088 38.945 1.143 17598 2351 1 5 . 1 1 89 89 ASN H H 89 8.331 8.331 7.917 0.414 17598 2352 1 5 . 1 1 90 90 TRP N N 90 121.188 121.188 122.003 -0.815 17598 2353 1 5 . 1 1 90 90 TRP HA H 90 5.161 5.161 4.966 0.195 17598 2354 1 5 . 1 1 90 90 TRP CA C 90 56.770 56.770 57.146 -0.376 17598 2355 1 5 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.358 0.903 17598 2356 1 5 . 1 1 90 90 TRP H H 90 8.538 8.538 8.418 0.120 17598 2357 1 5 . 1 1 91 91 LEU N N 91 121.031 121.031 118.240 2.791 17598 2358 1 5 . 1 1 91 91 LEU HA H 91 4.815 4.815 5.129 -0.314 17598 2359 1 5 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.460 0.896 17598 2360 1 5 . 1 1 91 91 LEU CB C 91 45.243 45.243 47.208 -1.965 17598 2361 1 5 . 1 1 91 91 LEU H H 91 9.518 9.518 8.668 0.850 17598 2362 1 5 . 1 1 92 92 GLU N N 92 119.156 119.156 121.140 -1.984 17598 2363 1 5 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.512 0.540 17598 2364 1 5 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.602 -1.242 17598 2365 1 5 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.647 0.755 17598 2366 1 5 . 1 1 92 92 GLU H H 92 8.490 8.490 8.671 -0.181 17598 2367 1 5 . 1 1 93 93 ARG N N 93 124.938 124.938 123.135 1.803 17598 2368 1 5 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.840 0.224 17598 2369 1 5 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.769 -0.075 17598 2370 1 5 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.677 1.484 17598 2371 1 5 . 1 1 93 93 ARG H H 93 9.283 9.283 8.737 0.546 17598 2372 1 5 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.811 0.432 17598 2373 1 5 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.906 -0.653 17598 2374 1 5 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.272 1.302 17598 2375 1 5 . 1 1 95 95 ARG N N 95 120.416 120.416 124.997 -4.581 17598 2376 1 5 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.664 0.032 17598 2377 1 5 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.529 0.094 17598 2378 1 5 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.818 -0.426 17598 2379 1 5 . 1 1 95 95 ARG H H 95 9.115 9.115 8.904 0.211 17598 2380 1 5 . 1 1 96 96 SER N N 96 115.719 115.719 119.006 -3.287 17598 2381 1 5 . 1 1 96 96 SER HA H 96 5.781 5.781 5.381 0.400 17598 2382 1 5 . 1 1 96 96 SER CA C 96 56.824 56.824 56.784 0.040 17598 2383 1 5 . 1 1 96 96 SER CB C 96 65.906 65.906 64.436 1.470 17598 2384 1 5 . 1 1 96 96 SER H H 96 8.676 8.676 8.640 0.036 17598 2385 1 5 . 1 1 97 97 LEU N N 97 126.188 126.188 127.893 -1.705 17598 2386 1 5 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.722 0.151 17598 2387 1 5 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.764 1.270 17598 2388 1 5 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.298 1.633 17598 2389 1 5 . 1 1 97 97 LEU H H 97 9.030 9.030 9.036 -0.006 17598 2390 1 5 . 1 1 98 98 THR N N 98 113.687 113.687 114.624 -0.937 17598 2391 1 5 . 1 1 98 98 THR HA H 98 4.869 4.869 4.481 0.388 17598 2392 1 5 . 1 1 98 98 THR CA C 98 60.265 60.265 61.080 -0.815 17598 2393 1 5 . 1 1 98 98 THR CB C 98 70.650 70.650 70.033 0.617 17598 2394 1 5 . 1 1 98 98 THR H H 98 8.410 8.410 8.246 0.164 17598 2395 1 5 . 1 1 99 99 LEU N N 99 126.344 126.344 123.914 2.430 17598 2396 1 5 . 1 1 99 99 LEU HA H 99 4.085 4.085 3.940 0.145 17598 2397 1 5 . 1 1 99 99 LEU CA C 99 55.771 55.771 55.996 -0.225 17598 2398 1 5 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.018 1.035 17598 2399 1 5 . 1 1 99 99 LEU H H 99 7.806 7.806 8.108 -0.302 17598 2400 1 5 . 1 1 100 100 LYS N N 100 128.063 128.063 123.617 4.446 17598 2401 1 5 . 1 1 100 100 LYS HA H 100 4.395 4.395 3.907 0.488 17598 2402 1 5 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.820 -0.905 17598 2403 1 5 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.433 0.627 17598 2404 1 5 . 1 1 100 100 LYS H H 100 8.816 8.816 8.436 0.380 17598 2405 1 5 . 1 1 101 101 GLU N N 101 123.531 123.531 123.629 -0.098 17598 2406 1 5 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.098 -0.109 17598 2407 1 5 . 1 1 101 101 GLU CA C 101 55.970 55.970 57.936 -1.966 17598 2408 1 5 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.320 0.269 17598 2409 1 5 . 1 1 101 101 GLU H H 101 8.323 8.323 8.612 -0.289 17598 2410 1 5 . 1 1 102 102 ARG N N 102 122.965 122.965 124.436 -1.471 17598 2411 1 5 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.437 -0.070 17598 2412 1 5 . 1 1 102 102 ARG CA C 102 55.774 55.774 57.026 -1.252 17598 2413 1 5 . 1 1 102 102 ARG CB C 102 30.559 30.559 31.137 -0.578 17598 2414 1 5 . 1 1 102 102 ARG H H 102 8.414 8.414 8.680 -0.266 17598 2415 1 5 . 1 1 103 103 SER N N 103 117.435 117.435 114.596 2.839 17598 2416 1 5 . 1 1 103 103 SER HA H 103 4.431 4.431 4.892 -0.461 17598 2417 1 5 . 1 1 103 103 SER CA C 103 58.079 58.079 57.834 0.244 17598 2418 1 5 . 1 1 103 103 SER CB C 103 63.554 63.554 65.510 -1.956 17598 2419 1 5 . 1 1 103 103 SER H H 103 8.423 8.423 8.026 0.397 17598 2420 1 5 . 1 1 104 104 LEU N N 104 124.423 124.423 120.635 3.788 17598 2421 1 5 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.528 -0.204 17598 2422 1 5 . 1 1 104 104 LEU CA C 104 55.124 55.124 55.347 -0.223 17598 2423 1 5 . 1 1 104 104 LEU CB C 104 41.989 41.989 44.664 -2.675 17598 2424 1 5 . 1 1 104 104 LEU H H 104 8.369 8.369 8.151 0.218 17598 2425 1 5 . 1 1 105 105 GLU N N 105 120.875 120.875 119.299 1.576 17598 2426 1 5 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.011 0.003 17598 2427 1 5 . 1 1 105 105 GLU CA C 105 57.945 57.945 57.561 0.384 17598 2428 1 5 . 1 1 105 105 GLU CB C 105 29.846 29.846 27.639 2.207 17598 2429 1 5 . 1 1 105 105 GLU H H 105 8.249 8.249 8.716 -0.467 17598 2430 1 5 . 1 1 106 106 HIS N N 106 120.719 120.719 115.367 5.352 17598 2431 1 5 . 1 1 106 106 HIS CA C 106 56.608 56.608 54.750 1.858 17598 2432 1 5 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.399 3.049 17598 2433 1 5 . 1 1 106 106 HIS H H 106 8.274 8.274 7.963 0.311 17598 2434 1 5 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.836 -0.250 17598 2435 1 5 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.576 0.228 17598 2436 1 5 . 1 1 107 107 HIS CB C 107 30.424 30.424 32.078 -1.654 17598 2437 1 5 . 1 1 108 108 HIS N N 108 125.843 125.843 117.920 7.923 17598 2438 1 5 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.746 1.359 17598 2439 1 5 . 1 1 108 108 HIS CB C 108 30.424 30.424 33.160 -2.736 17598 2440 1 5 . 1 1 108 108 HIS H H 108 7.941 7.941 8.537 -0.596 17598 2441 1 6 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.643 -0.268 17598 2442 1 6 . 1 1 2 2 LEU CA C 2 55.350 55.350 55.872 -0.522 17598 2443 1 6 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.774 -0.726 17598 2444 1 6 . 1 1 3 3 THR N N 3 114.937 114.937 115.033 -0.096 17598 2445 1 6 . 1 1 3 3 THR HA H 3 4.205 4.205 4.519 -0.314 17598 2446 1 6 . 1 1 3 3 THR CA C 3 62.493 62.493 61.788 0.704 17598 2447 1 6 . 1 1 3 3 THR CB C 3 69.391 69.391 69.770 -0.380 17598 2448 1 6 . 1 1 3 3 THR H H 3 8.316 8.316 7.666 0.650 17598 2449 1 6 . 1 1 4 4 VAL N N 4 122.438 122.438 123.871 -1.433 17598 2450 1 6 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.363 -0.295 17598 2451 1 6 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.652 0.841 17598 2452 1 6 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.115 0.243 17598 2453 1 6 . 1 1 4 4 VAL H H 4 7.953 7.953 8.465 -0.512 17598 2454 1 6 . 1 1 5 5 ARG N N 5 124.781 124.781 126.942 -2.161 17598 2455 1 6 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.431 -0.081 17598 2456 1 6 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.112 -0.270 17598 2457 1 6 . 1 1 5 5 ARG CB C 5 30.643 30.643 31.235 -0.592 17598 2458 1 6 . 1 1 5 5 ARG H H 5 8.319 8.319 8.378 -0.059 17598 2459 1 6 . 1 1 6 6 GLN N N 6 121.656 121.656 119.121 2.535 17598 2460 1 6 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.284 0.558 17598 2461 1 6 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.738 -0.550 17598 2462 1 6 . 1 1 6 6 GLN H H 6 8.373 8.373 8.300 0.073 17598 2463 1 6 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.597 -0.788 17598 2464 1 6 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.892 -1.060 17598 2465 1 6 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.239 -3.175 17598 2466 1 6 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.302 -0.573 17598 2467 1 6 . 1 1 8 8 GLY H H 8 8.407 8.407 8.480 -0.073 17598 2468 1 6 . 1 1 9 9 ASN N N 9 118.812 118.812 116.158 2.654 17598 2469 1 6 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.910 -0.194 17598 2470 1 6 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.811 0.072 17598 2471 1 6 . 1 1 9 9 ASN CB C 9 38.892 38.892 38.632 0.260 17598 2472 1 6 . 1 1 9 9 ASN H H 9 8.337 8.337 8.498 -0.161 17598 2473 1 6 . 1 1 10 10 LYS N N 10 122.131 122.131 117.455 4.676 17598 2474 1 6 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.588 -0.256 17598 2475 1 6 . 1 1 10 10 LYS CA C 10 55.970 55.970 55.842 0.128 17598 2476 1 6 . 1 1 10 10 LYS CB C 10 32.574 32.574 34.441 -1.867 17598 2477 1 6 . 1 1 10 10 LYS H H 10 8.253 8.253 7.504 0.749 17598 2478 1 6 . 1 1 11 11 VAL N N 11 123.026 123.026 119.249 3.777 17598 2479 1 6 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.296 -0.160 17598 2480 1 6 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.814 0.191 17598 2481 1 6 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.120 -1.298 17598 2482 1 6 . 1 1 11 11 VAL H H 11 8.428 8.428 8.516 -0.088 17598 2483 1 6 . 1 1 12 12 ILE N N 12 127.174 127.174 125.208 1.966 17598 2484 1 6 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.033 0.071 17598 2485 1 6 . 1 1 12 12 ILE CA C 12 60.002 60.002 61.930 -1.928 17598 2486 1 6 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.102 -0.369 17598 2487 1 6 . 1 1 12 12 ILE H H 12 8.345 8.345 8.274 0.071 17598 2488 1 6 . 1 1 13 13 LYS N N 13 122.906 122.906 125.791 -2.885 17598 2489 1 6 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.335 -0.518 17598 2490 1 6 . 1 1 13 13 LYS CA C 13 53.957 53.957 55.034 -1.077 17598 2491 1 6 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.520 -0.004 17598 2492 1 6 . 1 1 13 13 LYS H H 13 7.662 7.662 8.357 -0.695 17598 2493 1 6 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.309 -0.384 17598 2494 1 6 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.846 -0.309 17598 2495 1 6 . 1 1 14 14 PRO CB C 14 31.593 31.593 32.089 -0.496 17598 2496 1 6 . 1 1 15 15 ASP N N 15 121.969 121.969 120.964 1.005 17598 2497 1 6 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.764 -0.241 17598 2498 1 6 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.911 0.063 17598 2499 1 6 . 1 1 15 15 ASP CB C 15 40.470 40.470 43.034 -2.564 17598 2500 1 6 . 1 1 15 15 ASP H H 15 8.607 8.607 8.232 0.375 17598 2501 1 6 . 1 1 16 16 GLU N N 16 126.813 126.813 118.189 8.624 17598 2502 1 6 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.396 -0.204 17598 2503 1 6 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.903 0.748 17598 2504 1 6 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.906 -0.699 17598 2505 1 6 . 1 1 16 16 GLU H H 16 9.032 9.032 8.538 0.494 17598 2506 1 6 . 1 1 17 17 THR N N 17 110.875 110.875 114.070 -3.195 17598 2507 1 6 . 1 1 17 17 THR HA H 17 4.313 4.313 4.295 0.018 17598 2508 1 6 . 1 1 17 17 THR CA C 17 61.660 61.660 61.689 -0.029 17598 2509 1 6 . 1 1 17 17 THR CB C 17 69.392 69.392 68.798 0.594 17598 2510 1 6 . 1 1 17 17 THR H H 17 8.453 8.453 7.884 0.569 17598 2511 1 6 . 1 1 18 18 ARG N N 18 124.313 124.313 122.328 1.985 17598 2512 1 6 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.261 -0.154 17598 2513 1 6 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.342 -0.409 17598 2514 1 6 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.439 0.582 17598 2515 1 6 . 1 1 18 18 ARG H H 18 6.969 6.969 8.060 -1.091 17598 2516 1 6 . 1 1 19 19 VAL N N 19 127.750 127.750 120.777 6.973 17598 2517 1 6 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.006 -0.213 17598 2518 1 6 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.094 -0.564 17598 2519 1 6 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.103 -1.082 17598 2520 1 6 . 1 1 19 19 VAL H H 19 8.494 8.494 8.328 0.166 17598 2521 1 6 . 1 1 20 20 LYS N N 20 129.005 129.005 125.783 3.222 17598 2522 1 6 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.498 -0.416 17598 2523 1 6 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.643 2.154 17598 2524 1 6 . 1 1 20 20 LYS CB C 20 33.025 33.025 30.667 2.358 17598 2525 1 6 . 1 1 20 20 LYS H H 20 8.406 8.406 8.267 0.139 17598 2526 1 6 . 1 1 21 21 GLN N N 21 122.125 122.125 121.257 0.868 17598 2527 1 6 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.165 0.266 17598 2528 1 6 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.532 0.165 17598 2529 1 6 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.261 -0.053 17598 2530 1 6 . 1 1 21 21 GLN H H 21 9.783 9.783 8.160 1.623 17598 2531 1 6 . 1 1 22 22 PHE N N 22 126.785 126.785 118.595 8.190 17598 2532 1 6 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.341 -0.049 17598 2533 1 6 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.988 0.918 17598 2534 1 6 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.083 0.022 17598 2535 1 6 . 1 1 22 22 PHE H H 22 9.214 9.214 8.388 0.826 17598 2536 1 6 . 1 1 23 23 LEU N N 23 115.846 115.846 119.083 -3.237 17598 2537 1 6 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.209 -0.089 17598 2538 1 6 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.162 0.196 17598 2539 1 6 . 1 1 23 23 LEU CB C 23 40.097 40.097 39.896 0.201 17598 2540 1 6 . 1 1 23 23 LEU H H 23 9.173 9.173 7.937 1.236 17598 2541 1 6 . 1 1 24 24 GLU N N 24 117.032 117.032 117.290 -0.258 17598 2542 1 6 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.457 0.354 17598 2543 1 6 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.108 -0.453 17598 2544 1 6 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.203 0.095 17598 2545 1 6 . 1 1 24 24 GLU H H 24 7.789 7.789 8.347 -0.558 17598 2546 1 6 . 1 1 25 25 GLY N N 25 105.050 105.050 106.502 -1.452 17598 2547 1 6 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.478 -0.071 17598 2548 1 6 . 1 1 25 25 GLY H H 25 7.640 7.640 7.353 0.287 17598 2549 1 6 . 1 1 26 26 PHE N N 26 115.467 115.467 117.912 -2.445 17598 2550 1 6 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.782 -0.278 17598 2551 1 6 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.507 0.020 17598 2552 1 6 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.506 2.611 17598 2553 1 6 . 1 1 26 26 PHE H H 26 6.508 6.508 7.274 -0.766 17598 2554 1 6 . 1 1 27 27 ASN N N 27 118.006 118.006 117.424 0.582 17598 2555 1 6 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.563 -0.075 17598 2556 1 6 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.436 -0.407 17598 2557 1 6 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.751 -1.033 17598 2558 1 6 . 1 1 27 27 ASN H H 27 8.788 8.788 8.513 0.275 17598 2559 1 6 . 1 1 28 28 ILE N N 28 129.126 129.126 120.611 8.515 17598 2560 1 6 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.980 -0.292 17598 2561 1 6 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.955 1.952 17598 2562 1 6 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.510 0.533 17598 2563 1 6 . 1 1 28 28 ILE H H 28 9.557 9.557 8.132 1.425 17598 2564 1 6 . 1 1 29 29 GLU N N 29 120.068 120.068 118.574 1.494 17598 2565 1 6 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.105 0.124 17598 2566 1 6 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.246 0.101 17598 2567 1 6 . 1 1 29 29 GLU CB C 29 28.129 28.129 29.348 -1.219 17598 2568 1 6 . 1 1 29 29 GLU H H 29 9.064 9.064 8.588 0.476 17598 2569 1 6 . 1 1 30 30 THR N N 30 109.404 109.404 110.349 -0.945 17598 2570 1 6 . 1 1 30 30 THR HA H 30 4.303 4.303 4.003 0.300 17598 2571 1 6 . 1 1 30 30 THR CA C 30 62.079 62.079 63.554 -1.475 17598 2572 1 6 . 1 1 30 30 THR CB C 30 69.583 69.583 68.748 0.835 17598 2573 1 6 . 1 1 30 30 THR H H 30 7.789 7.789 7.739 0.050 17598 2574 1 6 . 1 1 31 31 PHE N N 31 120.250 120.250 119.467 0.783 17598 2575 1 6 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.792 0.634 17598 2576 1 6 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.361 0.095 17598 2577 1 6 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.469 -0.476 17598 2578 1 6 . 1 1 31 31 PHE H H 31 7.236 7.236 6.975 0.261 17598 2579 1 6 . 1 1 32 32 GLU N N 32 118.531 118.531 120.515 -1.984 17598 2580 1 6 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.703 0.084 17598 2581 1 6 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.533 -0.604 17598 2582 1 6 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.483 1.210 17598 2583 1 6 . 1 1 32 32 GLU H H 32 8.644 8.644 9.425 -0.781 17598 2584 1 6 . 1 1 33 33 MET N N 33 127.438 127.438 126.534 0.904 17598 2585 1 6 . 1 1 33 33 MET HA H 33 4.643 4.643 4.205 0.438 17598 2586 1 6 . 1 1 33 33 MET CA C 33 56.411 56.411 57.426 -1.015 17598 2587 1 6 . 1 1 33 33 MET CB C 33 32.050 32.050 33.362 -1.312 17598 2588 1 6 . 1 1 33 33 MET H H 33 9.679 9.679 9.159 0.520 17598 2589 1 6 . 1 1 34 34 VAL N N 34 119.176 119.176 124.724 -5.548 17598 2590 1 6 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.458 0.316 17598 2591 1 6 . 1 1 34 34 VAL CA C 34 60.996 60.996 60.891 0.105 17598 2592 1 6 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.728 -0.879 17598 2593 1 6 . 1 1 34 34 VAL H H 34 8.897 8.897 8.660 0.237 17598 2594 1 6 . 1 1 35 35 GLY N N 35 108.249 108.249 107.142 1.107 17598 2595 1 6 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.329 -0.145 17598 2596 1 6 . 1 1 35 35 GLY H H 35 7.589 7.589 8.122 -0.533 17598 2597 1 6 . 1 1 36 36 THR N N 36 110.562 110.562 113.033 -2.471 17598 2598 1 6 . 1 1 36 36 THR HA H 36 5.088 5.088 4.624 0.464 17598 2599 1 6 . 1 1 36 36 THR CA C 36 60.060 60.060 60.889 -0.829 17598 2600 1 6 . 1 1 36 36 THR CB C 36 72.335 72.335 71.567 0.769 17598 2601 1 6 . 1 1 36 36 THR H H 36 8.300 8.300 8.065 0.235 17598 2602 1 6 . 1 1 37 37 LEU N N 37 122.334 122.334 124.166 -1.832 17598 2603 1 6 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.896 -0.191 17598 2604 1 6 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.276 1.244 17598 2605 1 6 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.848 1.467 17598 2606 1 6 . 1 1 37 37 LEU H H 37 8.886 8.886 8.769 0.117 17598 2607 1 6 . 1 1 38 38 SER N N 38 119.156 119.156 118.525 0.631 17598 2608 1 6 . 1 1 38 38 SER HA H 38 5.489 5.489 5.514 -0.025 17598 2609 1 6 . 1 1 38 38 SER CA C 38 56.819 56.819 57.186 -0.367 17598 2610 1 6 . 1 1 38 38 SER CB C 38 64.655 64.655 64.916 -0.261 17598 2611 1 6 . 1 1 38 38 SER H H 38 8.694 8.694 8.517 0.177 17598 2612 1 6 . 1 1 39 39 ASN N N 39 124.156 124.156 122.698 1.458 17598 2613 1 6 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.425 -1.621 17598 2614 1 6 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.052 -0.189 17598 2615 1 6 . 1 1 39 39 ASN H H 39 9.068 9.068 8.798 0.270 17598 2616 1 6 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.116 0.051 17598 2617 1 6 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.613 0.113 17598 2618 1 6 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.394 -0.183 17598 2619 1 6 . 1 1 41 41 GLN N N 41 114.937 114.937 116.850 -1.913 17598 2620 1 6 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.211 0.139 17598 2621 1 6 . 1 1 41 41 GLN CA C 41 56.695 56.695 57.084 -0.389 17598 2622 1 6 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.805 -0.817 17598 2623 1 6 . 1 1 41 41 GLN H H 41 8.399 8.399 8.269 0.130 17598 2624 1 6 . 1 1 42 42 GLY N N 42 108.502 108.502 104.801 3.701 17598 2625 1 6 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.361 0.210 17598 2626 1 6 . 1 1 42 42 GLY H H 42 7.892 7.892 7.610 0.282 17598 2627 1 6 . 1 1 43 43 THR N N 43 116.344 116.344 117.460 -1.116 17598 2628 1 6 . 1 1 43 43 THR HA H 43 3.749 3.749 5.041 -1.292 17598 2629 1 6 . 1 1 43 43 THR CA C 43 69.834 69.834 61.626 8.208 17598 2630 1 6 . 1 1 43 43 THR CB C 43 70.316 70.316 69.363 0.953 17598 2631 1 6 . 1 1 43 43 THR H H 43 7.762 7.762 7.861 -0.099 17598 2632 1 6 . 1 1 44 44 PHE N N 44 123.688 123.688 125.744 -2.056 17598 2633 1 6 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.686 0.420 17598 2634 1 6 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.170 -0.623 17598 2635 1 6 . 1 1 44 44 PHE CB C 44 41.905 41.905 41.523 0.382 17598 2636 1 6 . 1 1 44 44 PHE H H 44 9.283 9.283 9.068 0.215 17598 2637 1 6 . 1 1 45 45 ALA N N 45 122.438 122.438 122.702 -0.264 17598 2638 1 6 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.827 0.124 17598 2639 1 6 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.627 -0.517 17598 2640 1 6 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.014 0.623 17598 2641 1 6 . 1 1 45 45 ALA H H 45 9.579 9.579 9.144 0.435 17598 2642 1 6 . 1 1 46 46 LEU N N 46 121.500 121.500 126.086 -4.586 17598 2643 1 6 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.111 0.032 17598 2644 1 6 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.961 -0.979 17598 2645 1 6 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.768 -0.350 17598 2646 1 6 . 1 1 46 46 LEU H H 46 8.472 8.472 8.760 -0.288 17598 2647 1 6 . 1 1 47 47 VAL N N 47 122.125 122.125 122.652 -0.527 17598 2648 1 6 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.501 0.414 17598 2649 1 6 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.484 -0.062 17598 2650 1 6 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.658 -0.830 17598 2651 1 6 . 1 1 47 47 VAL H H 47 9.175 9.175 8.932 0.243 17598 2652 1 6 . 1 1 48 48 LYS N N 48 129.000 129.000 124.254 4.746 17598 2653 1 6 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.862 0.336 17598 2654 1 6 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.926 0.800 17598 2655 1 6 . 1 1 48 48 LYS CB C 48 35.033 35.033 36.013 -0.980 17598 2656 1 6 . 1 1 48 48 LYS H H 48 9.675 9.675 8.730 0.945 17598 2657 1 6 . 1 1 49 49 GLY N N 49 113.844 113.844 110.850 2.994 17598 2658 1 6 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.689 -0.813 17598 2659 1 6 . 1 1 49 49 GLY H H 49 8.792 8.792 8.627 0.165 17598 2660 1 6 . 1 1 50 50 ALA N N 50 123.844 123.844 121.639 2.205 17598 2661 1 6 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.559 -0.107 17598 2662 1 6 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.962 0.020 17598 2663 1 6 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.175 -0.225 17598 2664 1 6 . 1 1 50 50 ALA H H 50 8.963 8.963 8.784 0.179 17598 2665 1 6 . 1 1 51 51 GLY N N 51 105.406 105.406 103.338 2.068 17598 2666 1 6 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.305 0.239 17598 2667 1 6 . 1 1 51 51 GLY H H 51 8.582 8.582 8.321 0.261 17598 2668 1 6 . 1 1 52 52 GLY N N 52 108.644 108.644 106.774 1.870 17598 2669 1 6 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.855 0.294 17598 2670 1 6 . 1 1 52 52 GLY H H 52 7.692 7.692 7.854 -0.162 17598 2671 1 6 . 1 1 53 53 VAL N N 53 121.656 121.656 116.217 5.439 17598 2672 1 6 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.687 -0.100 17598 2673 1 6 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.796 1.949 17598 2674 1 6 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.960 -0.993 17598 2675 1 6 . 1 1 53 53 VAL H H 53 7.928 7.928 8.430 -0.502 17598 2676 1 6 . 1 1 54 54 HIS N N 54 128.219 128.219 124.990 3.229 17598 2677 1 6 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.023 -0.400 17598 2678 1 6 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.090 0.777 17598 2679 1 6 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.326 0.977 17598 2680 1 6 . 1 1 54 54 HIS H H 54 9.188 9.188 8.892 0.296 17598 2681 1 6 . 1 1 55 55 ARG N N 55 122.125 122.125 121.904 0.221 17598 2682 1 6 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.412 -0.385 17598 2683 1 6 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.902 0.382 17598 2684 1 6 . 1 1 55 55 ARG CB C 55 30.757 30.757 33.319 -2.562 17598 2685 1 6 . 1 1 55 55 ARG H H 55 8.816 8.816 8.576 0.240 17598 2686 1 6 . 1 1 56 56 VAL N N 56 124.229 124.229 118.073 6.156 17598 2687 1 6 . 1 1 56 56 VAL HA H 56 4.708 4.708 5.066 -0.358 17598 2688 1 6 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.828 0.854 17598 2689 1 6 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.520 -0.054 17598 2690 1 6 . 1 1 56 56 VAL H H 56 9.444 9.444 8.985 0.459 17598 2691 1 6 . 1 1 57 57 ARG N N 57 124.554 124.554 121.599 2.955 17598 2692 1 6 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.712 0.111 17598 2693 1 6 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.466 -0.142 17598 2694 1 6 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.123 1.862 17598 2695 1 6 . 1 1 57 57 ARG H H 57 9.124 9.124 9.344 -0.220 17598 2696 1 6 . 1 1 58 58 VAL N N 58 120.250 120.250 119.603 0.647 17598 2697 1 6 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.612 -0.257 17598 2698 1 6 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.742 0.704 17598 2699 1 6 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.071 0.861 17598 2700 1 6 . 1 1 58 58 VAL H H 58 8.327 8.327 8.455 -0.128 17598 2701 1 6 . 1 1 59 59 GLY N N 59 117.437 117.437 115.903 1.534 17598 2702 1 6 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.600 -0.025 17598 2703 1 6 . 1 1 59 59 GLY H H 59 9.097 9.097 8.626 0.471 17598 2704 1 6 . 1 1 60 60 ASP N N 60 121.031 121.031 122.061 -1.030 17598 2705 1 6 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.543 0.408 17598 2706 1 6 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.312 -0.970 17598 2707 1 6 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.745 0.014 17598 2708 1 6 . 1 1 60 60 ASP H H 60 7.800 7.800 7.962 -0.162 17598 2709 1 6 . 1 1 61 61 TYR N N 61 115.406 115.406 116.289 -0.883 17598 2710 1 6 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.530 0.060 17598 2711 1 6 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.614 0.178 17598 2712 1 6 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.830 0.740 17598 2713 1 6 . 1 1 61 61 TYR H H 61 7.834 7.834 8.340 -0.506 17598 2714 1 6 . 1 1 62 62 LEU N N 62 117.750 117.750 116.573 1.177 17598 2715 1 6 . 1 1 62 62 LEU HA H 62 4.301 4.301 5.181 -0.880 17598 2716 1 6 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.063 -0.066 17598 2717 1 6 . 1 1 62 62 LEU CB C 62 46.770 46.770 46.103 0.666 17598 2718 1 6 . 1 1 62 62 LEU H H 62 9.362 9.362 8.809 0.553 17598 2719 1 6 . 1 1 63 63 GLY N N 63 107.303 107.303 107.054 0.249 17598 2720 1 6 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.345 -1.057 17598 2721 1 6 . 1 1 63 63 GLY H H 63 7.945 7.945 8.150 -0.205 17598 2722 1 6 . 1 1 64 64 ARG N N 64 113.687 113.687 120.513 -6.826 17598 2723 1 6 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.267 0.174 17598 2724 1 6 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.366 -0.097 17598 2725 1 6 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.533 0.213 17598 2726 1 6 . 1 1 64 64 ARG H H 64 8.424 8.424 8.506 -0.082 17598 2727 1 6 . 1 1 65 65 ASN N N 65 121.626 121.626 116.645 4.981 17598 2728 1 6 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.716 0.783 17598 2729 1 6 . 1 1 65 65 ASN CA C 65 53.356 53.356 53.011 0.344 17598 2730 1 6 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.284 1.232 17598 2731 1 6 . 1 1 65 65 ASN H H 65 9.529 9.529 8.020 1.509 17598 2732 1 6 . 1 1 66 66 ASP N N 66 116.656 116.656 116.405 0.251 17598 2733 1 6 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.261 -0.362 17598 2734 1 6 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.304 -0.516 17598 2735 1 6 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.895 0.525 17598 2736 1 6 . 1 1 66 66 ASP H H 66 9.397 9.397 7.733 1.664 17598 2737 1 6 . 1 1 67 67 GLY N N 67 100.587 100.587 106.576 -5.989 17598 2738 1 6 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.260 2.751 17598 2739 1 6 . 1 1 67 67 GLY H H 67 7.424 7.424 8.393 -0.969 17598 2740 1 6 . 1 1 68 68 LYS N N 68 130.952 130.952 128.226 2.726 17598 2741 1 6 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.871 -1.023 17598 2742 1 6 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.799 0.180 17598 2743 1 6 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.724 -0.267 17598 2744 1 6 . 1 1 68 68 LYS H H 68 8.121 8.121 8.850 -0.729 17598 2745 1 6 . 1 1 69 69 VAL N N 69 126.813 126.813 126.768 0.045 17598 2746 1 6 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.810 0.302 17598 2747 1 6 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.543 -1.260 17598 2748 1 6 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.979 -0.245 17598 2749 1 6 . 1 1 69 69 VAL H H 69 9.113 9.113 8.407 0.706 17598 2750 1 6 . 1 1 70 70 VAL N N 70 122.594 122.594 122.392 0.202 17598 2751 1 6 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.446 0.159 17598 2752 1 6 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.762 -0.865 17598 2753 1 6 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.524 -0.881 17598 2754 1 6 . 1 1 70 70 VAL H H 70 8.968 8.968 8.643 0.325 17598 2755 1 6 . 1 1 71 71 GLY N N 71 110.562 110.562 109.462 1.100 17598 2756 1 6 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.395 1.804 17598 2757 1 6 . 1 1 71 71 GLY H H 71 7.638 7.638 8.019 -0.381 17598 2758 1 6 . 1 1 72 72 ILE N N 72 123.063 123.063 121.869 1.194 17598 2759 1 6 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.336 0.123 17598 2760 1 6 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.672 0.702 17598 2761 1 6 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.220 2.161 17598 2762 1 6 . 1 1 72 72 ILE H H 72 8.404 8.404 8.362 0.042 17598 2763 1 6 . 1 1 73 73 SER N N 73 123.531 123.531 123.321 0.210 17598 2764 1 6 . 1 1 73 73 SER HA H 73 4.723 4.723 4.851 -0.128 17598 2765 1 6 . 1 1 73 73 SER CA C 73 56.220 56.220 56.996 -0.776 17598 2766 1 6 . 1 1 73 73 SER CB C 73 65.450 65.450 64.576 0.873 17598 2767 1 6 . 1 1 73 73 SER H H 73 8.801 8.801 8.843 -0.042 17598 2768 1 6 . 1 1 74 74 GLU N N 74 116.656 116.656 117.637 -0.981 17598 2769 1 6 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.346 -0.042 17598 2770 1 6 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.202 -1.472 17598 2771 1 6 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.273 -1.171 17598 2772 1 6 . 1 1 74 74 GLU H H 74 8.537 8.537 8.552 -0.015 17598 2773 1 6 . 1 1 75 75 GLY N N 75 102.989 102.989 105.908 -2.919 17598 2774 1 6 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.751 0.267 17598 2775 1 6 . 1 1 75 75 GLY H H 75 8.124 8.124 8.162 -0.038 17598 2776 1 6 . 1 1 76 76 LYS N N 76 120.094 120.094 117.280 2.814 17598 2777 1 6 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.156 0.105 17598 2778 1 6 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.449 1.152 17598 2779 1 6 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.622 -0.211 17598 2780 1 6 . 1 1 76 76 LYS H H 76 7.546 7.546 7.560 -0.014 17598 2781 1 6 . 1 1 77 77 ILE N N 77 121.344 121.344 121.066 0.278 17598 2782 1 6 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.635 -0.085 17598 2783 1 6 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.947 0.900 17598 2784 1 6 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.239 1.377 17598 2785 1 6 . 1 1 77 77 ILE H H 77 8.776 8.776 8.620 0.156 17598 2786 1 6 . 1 1 78 78 ASP N N 78 126.813 126.813 129.221 -2.408 17598 2787 1 6 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.173 0.028 17598 2788 1 6 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.878 -0.758 17598 2789 1 6 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.623 1.329 17598 2790 1 6 . 1 1 78 78 ASP H H 78 8.964 8.964 8.453 0.511 17598 2791 1 6 . 1 1 79 79 VAL N N 79 124.156 124.156 116.701 7.455 17598 2792 1 6 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.027 0.152 17598 2793 1 6 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.476 -0.202 17598 2794 1 6 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.224 -0.145 17598 2795 1 6 . 1 1 79 79 VAL H H 79 9.060 9.060 9.282 -0.222 17598 2796 1 6 . 1 1 80 80 ILE N N 80 126.656 126.656 122.670 3.986 17598 2797 1 6 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.609 -0.115 17598 2798 1 6 . 1 1 80 80 ILE CA C 80 61.183 61.183 58.977 2.206 17598 2799 1 6 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.723 1.564 17598 2800 1 6 . 1 1 80 80 ILE H H 80 8.812 8.812 8.969 -0.157 17598 2801 1 6 . 1 1 81 81 GLU N N 81 126.656 126.656 127.840 -1.184 17598 2802 1 6 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.780 -0.158 17598 2803 1 6 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.903 0.171 17598 2804 1 6 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.179 -0.536 17598 2805 1 6 . 1 1 81 81 GLU H H 81 8.283 8.283 8.692 -0.409 17598 2806 1 6 . 1 1 82 82 ILE N N 82 120.094 120.094 120.607 -0.513 17598 2807 1 6 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.064 -0.031 17598 2808 1 6 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.760 1.468 17598 2809 1 6 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.766 0.272 17598 2810 1 6 . 1 1 82 82 ILE H H 82 8.252 8.252 8.408 -0.156 17598 2811 1 6 . 1 1 83 83 VAL N N 83 120.094 120.094 119.849 0.245 17598 2812 1 6 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.143 0.079 17598 2813 1 6 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.843 -0.619 17598 2814 1 6 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.477 -0.884 17598 2815 1 6 . 1 1 83 83 VAL H H 83 9.201 9.201 9.020 0.181 17598 2816 1 6 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.283 0.092 17598 2817 1 6 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.587 -0.545 17598 2818 1 6 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.337 -0.480 17598 2819 1 6 . 1 1 85 85 ASP N N 85 120.250 120.250 120.842 -0.592 17598 2820 1 6 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.704 -0.199 17598 2821 1 6 . 1 1 85 85 ASP CA C 85 52.497 52.497 55.528 -3.030 17598 2822 1 6 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.339 -1.105 17598 2823 1 6 . 1 1 85 85 ASP H H 85 8.083 8.083 8.340 -0.257 17598 2824 1 6 . 1 1 86 86 GLY N N 86 109.156 109.156 106.123 3.033 17598 2825 1 6 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.770 -0.718 17598 2826 1 6 . 1 1 86 86 GLY H H 86 8.160 8.160 8.302 -0.142 17598 2827 1 6 . 1 1 87 87 GLU N N 87 120.719 120.719 120.836 -0.117 17598 2828 1 6 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.523 -0.082 17598 2829 1 6 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.423 -1.444 17598 2830 1 6 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.754 -0.592 17598 2831 1 6 . 1 1 87 87 GLU H H 87 8.663 8.663 8.447 0.216 17598 2832 1 6 . 1 1 88 88 GLY N N 88 109.312 109.312 107.645 1.667 17598 2833 1 6 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.729 0.036 17598 2834 1 6 . 1 1 88 88 GLY H H 88 8.417 8.417 8.109 0.308 17598 2835 1 6 . 1 1 89 89 ASN N N 89 119.625 119.625 117.785 1.840 17598 2836 1 6 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.695 0.302 17598 2837 1 6 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.361 -1.391 17598 2838 1 6 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.483 0.605 17598 2839 1 6 . 1 1 89 89 ASN H H 89 8.331 8.331 7.694 0.637 17598 2840 1 6 . 1 1 90 90 TRP N N 90 121.188 121.188 118.430 2.758 17598 2841 1 6 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.212 -0.051 17598 2842 1 6 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.655 0.115 17598 2843 1 6 . 1 1 90 90 TRP CB C 90 32.261 32.261 32.102 0.159 17598 2844 1 6 . 1 1 90 90 TRP H H 90 8.538 8.538 8.571 -0.033 17598 2845 1 6 . 1 1 91 91 LEU N N 91 121.031 121.031 118.692 2.339 17598 2846 1 6 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.745 0.070 17598 2847 1 6 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.267 0.089 17598 2848 1 6 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.510 -1.266 17598 2849 1 6 . 1 1 91 91 LEU H H 91 9.518 9.518 9.154 0.364 17598 2850 1 6 . 1 1 92 92 GLU N N 92 119.156 119.156 121.049 -1.893 17598 2851 1 6 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.610 0.442 17598 2852 1 6 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.136 -0.776 17598 2853 1 6 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.640 0.763 17598 2854 1 6 . 1 1 92 92 GLU H H 92 8.490 8.490 8.672 -0.182 17598 2855 1 6 . 1 1 93 93 ARG N N 93 124.938 124.938 121.224 3.714 17598 2856 1 6 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.804 0.260 17598 2857 1 6 . 1 1 93 93 ARG CA C 93 52.694 52.694 53.071 -0.377 17598 2858 1 6 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.753 1.408 17598 2859 1 6 . 1 1 93 93 ARG H H 93 9.283 9.283 8.586 0.697 17598 2860 1 6 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.721 0.522 17598 2861 1 6 . 1 1 94 94 PRO CA C 94 62.253 62.253 63.084 -0.832 17598 2862 1 6 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.670 0.904 17598 2863 1 6 . 1 1 95 95 ARG N N 95 120.416 120.416 125.002 -4.586 17598 2864 1 6 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.817 -0.121 17598 2865 1 6 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.387 0.236 17598 2866 1 6 . 1 1 95 95 ARG CB C 95 33.392 33.392 35.337 -1.944 17598 2867 1 6 . 1 1 95 95 ARG H H 95 9.115 9.115 8.895 0.220 17598 2868 1 6 . 1 1 96 96 SER N N 96 115.719 115.719 116.981 -1.262 17598 2869 1 6 . 1 1 96 96 SER HA H 96 5.781 5.781 5.382 0.399 17598 2870 1 6 . 1 1 96 96 SER CA C 96 56.824 56.824 57.234 -0.410 17598 2871 1 6 . 1 1 96 96 SER CB C 96 65.906 65.906 64.841 1.065 17598 2872 1 6 . 1 1 96 96 SER H H 96 8.676 8.676 8.467 0.209 17598 2873 1 6 . 1 1 97 97 LEU N N 97 126.188 126.188 127.484 -1.296 17598 2874 1 6 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.599 0.274 17598 2875 1 6 . 1 1 97 97 LEU CA C 97 55.034 55.034 54.222 0.812 17598 2876 1 6 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.060 1.871 17598 2877 1 6 . 1 1 97 97 LEU H H 97 9.030 9.030 9.037 -0.007 17598 2878 1 6 . 1 1 98 98 THR N N 98 113.687 113.687 114.586 -0.899 17598 2879 1 6 . 1 1 98 98 THR HA H 98 4.869 4.869 4.442 0.427 17598 2880 1 6 . 1 1 98 98 THR CA C 98 60.265 60.265 61.314 -1.049 17598 2881 1 6 . 1 1 98 98 THR CB C 98 70.650 70.650 69.896 0.754 17598 2882 1 6 . 1 1 98 98 THR H H 98 8.410 8.410 8.123 0.287 17598 2883 1 6 . 1 1 99 99 LEU N N 99 126.344 126.344 123.518 2.826 17598 2884 1 6 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.166 -0.081 17598 2885 1 6 . 1 1 99 99 LEU CA C 99 55.771 55.771 55.633 0.138 17598 2886 1 6 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.385 0.668 17598 2887 1 6 . 1 1 99 99 LEU H H 99 7.806 7.806 8.320 -0.514 17598 2888 1 6 . 1 1 100 100 LYS N N 100 128.063 128.063 125.445 2.618 17598 2889 1 6 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.119 0.276 17598 2890 1 6 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.163 -1.248 17598 2891 1 6 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.776 0.284 17598 2892 1 6 . 1 1 100 100 LYS H H 100 8.816 8.816 8.330 0.486 17598 2893 1 6 . 1 1 101 101 GLU N N 101 123.531 123.531 124.041 -0.510 17598 2894 1 6 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.271 -0.282 17598 2895 1 6 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.730 -0.760 17598 2896 1 6 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.423 0.166 17598 2897 1 6 . 1 1 101 101 GLU H H 101 8.323 8.323 8.801 -0.478 17598 2898 1 6 . 1 1 102 102 ARG N N 102 122.965 122.965 120.304 2.661 17598 2899 1 6 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.633 -0.266 17598 2900 1 6 . 1 1 102 102 ARG CA C 102 55.774 55.774 55.355 0.418 17598 2901 1 6 . 1 1 102 102 ARG CB C 102 30.559 30.559 32.324 -1.765 17598 2902 1 6 . 1 1 102 102 ARG H H 102 8.414 8.414 8.034 0.380 17598 2903 1 6 . 1 1 103 103 SER N N 103 117.435 117.435 117.269 0.166 17598 2904 1 6 . 1 1 103 103 SER HA H 103 4.431 4.431 4.658 -0.227 17598 2905 1 6 . 1 1 103 103 SER CA C 103 58.079 58.079 57.559 0.520 17598 2906 1 6 . 1 1 103 103 SER CB C 103 63.554 63.554 64.167 -0.613 17598 2907 1 6 . 1 1 103 103 SER H H 103 8.423 8.423 8.557 -0.134 17598 2908 1 6 . 1 1 104 104 LEU N N 104 124.423 124.423 126.103 -1.680 17598 2909 1 6 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.386 -0.062 17598 2910 1 6 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.960 0.164 17598 2911 1 6 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.700 -0.711 17598 2912 1 6 . 1 1 104 104 LEU H H 104 8.369 8.369 8.458 -0.089 17598 2913 1 6 . 1 1 105 105 GLU N N 105 120.875 120.875 116.827 4.048 17598 2914 1 6 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.407 -0.393 17598 2915 1 6 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.653 2.292 17598 2916 1 6 . 1 1 105 105 GLU CB C 105 29.846 29.846 28.955 0.891 17598 2917 1 6 . 1 1 105 105 GLU H H 105 8.249 8.249 8.226 0.023 17598 2918 1 6 . 1 1 106 106 HIS N N 106 120.719 120.719 119.878 0.841 17598 2919 1 6 . 1 1 106 106 HIS CA C 106 56.608 56.608 56.949 -0.341 17598 2920 1 6 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.506 1.942 17598 2921 1 6 . 1 1 106 106 HIS H H 106 8.274 8.274 7.491 0.783 17598 2922 1 6 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.856 -0.270 17598 2923 1 6 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.856 -0.052 17598 2924 1 6 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.147 0.277 17598 2925 1 6 . 1 1 108 108 HIS N N 108 125.843 125.843 124.790 1.053 17598 2926 1 6 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.271 1.834 17598 2927 1 6 . 1 1 108 108 HIS CB C 108 30.424 30.424 31.248 -0.824 17598 2928 1 6 . 1 1 108 108 HIS H H 108 7.941 7.941 8.527 -0.586 17598 2929 1 7 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.310 0.065 17598 2930 1 7 . 1 1 2 2 LEU CA C 2 55.350 55.350 55.604 -0.254 17598 2931 1 7 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.585 -0.537 17598 2932 1 7 . 1 1 3 3 THR N N 3 114.937 114.937 115.852 -0.915 17598 2933 1 7 . 1 1 3 3 THR HA H 3 4.205 4.205 4.506 -0.301 17598 2934 1 7 . 1 1 3 3 THR CA C 3 62.493 62.493 61.496 0.997 17598 2935 1 7 . 1 1 3 3 THR CB C 3 69.391 69.391 69.584 -0.193 17598 2936 1 7 . 1 1 3 3 THR H H 3 8.316 8.316 8.181 0.135 17598 2937 1 7 . 1 1 4 4 VAL N N 4 122.438 122.438 125.671 -3.233 17598 2938 1 7 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.220 -0.152 17598 2939 1 7 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.811 -0.318 17598 2940 1 7 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.138 0.220 17598 2941 1 7 . 1 1 4 4 VAL H H 4 7.953 7.953 8.529 -0.576 17598 2942 1 7 . 1 1 5 5 ARG N N 5 124.781 124.781 126.618 -1.837 17598 2943 1 7 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.711 -0.361 17598 2944 1 7 . 1 1 5 5 ARG CA C 5 55.842 55.842 54.757 1.085 17598 2945 1 7 . 1 1 5 5 ARG CB C 5 30.643 30.643 32.627 -1.984 17598 2946 1 7 . 1 1 5 5 ARG H H 5 8.319 8.319 8.527 -0.208 17598 2947 1 7 . 1 1 6 6 GLN N N 6 121.656 121.656 119.858 1.798 17598 2948 1 7 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.170 0.672 17598 2949 1 7 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.157 -0.968 17598 2950 1 7 . 1 1 6 6 GLN H H 6 8.373 8.373 8.513 -0.140 17598 2951 1 7 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.507 -0.698 17598 2952 1 7 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.295 -1.463 17598 2953 1 7 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.247 -3.184 17598 2954 1 7 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.663 -0.934 17598 2955 1 7 . 1 1 8 8 GLY H H 8 8.407 8.407 8.579 -0.172 17598 2956 1 7 . 1 1 9 9 ASN N N 9 118.812 118.812 119.355 -0.543 17598 2957 1 7 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.991 -0.275 17598 2958 1 7 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.425 0.458 17598 2959 1 7 . 1 1 9 9 ASN CB C 9 38.892 38.892 42.177 -3.285 17598 2960 1 7 . 1 1 9 9 ASN H H 9 8.337 8.337 8.413 -0.076 17598 2961 1 7 . 1 1 10 10 LYS N N 10 122.131 122.131 120.882 1.249 17598 2962 1 7 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.608 -0.276 17598 2963 1 7 . 1 1 10 10 LYS CA C 10 55.970 55.970 55.197 0.773 17598 2964 1 7 . 1 1 10 10 LYS CB C 10 32.574 32.574 34.902 -2.328 17598 2965 1 7 . 1 1 10 10 LYS H H 10 8.253 8.253 8.307 -0.054 17598 2966 1 7 . 1 1 11 11 VAL N N 11 123.026 123.026 120.409 2.617 17598 2967 1 7 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.469 -0.333 17598 2968 1 7 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.217 0.788 17598 2969 1 7 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.587 -1.764 17598 2970 1 7 . 1 1 11 11 VAL H H 11 8.428 8.428 8.456 -0.028 17598 2971 1 7 . 1 1 12 12 ILE N N 12 127.174 127.174 124.220 2.954 17598 2972 1 7 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.327 -0.223 17598 2973 1 7 . 1 1 12 12 ILE CA C 12 60.002 60.002 61.203 -1.202 17598 2974 1 7 . 1 1 12 12 ILE CB C 12 37.733 37.733 37.690 0.044 17598 2975 1 7 . 1 1 12 12 ILE H H 12 8.345 8.345 8.288 0.057 17598 2976 1 7 . 1 1 13 13 LYS N N 13 122.906 122.906 127.376 -4.470 17598 2977 1 7 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.569 -0.752 17598 2978 1 7 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.592 -0.635 17598 2979 1 7 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.104 0.413 17598 2980 1 7 . 1 1 13 13 LYS H H 13 7.662 7.662 8.377 -0.715 17598 2981 1 7 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.309 -0.384 17598 2982 1 7 . 1 1 14 14 PRO CA C 14 62.537 62.537 63.023 -0.486 17598 2983 1 7 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.742 -0.149 17598 2984 1 7 . 1 1 15 15 ASP N N 15 121.969 121.969 122.534 -0.565 17598 2985 1 7 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.750 -0.227 17598 2986 1 7 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.217 -0.243 17598 2987 1 7 . 1 1 15 15 ASP CB C 15 40.470 40.470 42.420 -1.950 17598 2988 1 7 . 1 1 15 15 ASP H H 15 8.607 8.607 8.168 0.439 17598 2989 1 7 . 1 1 16 16 GLU N N 16 126.813 126.813 118.059 8.754 17598 2990 1 7 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.370 -0.178 17598 2991 1 7 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.042 0.609 17598 2992 1 7 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.425 -0.218 17598 2993 1 7 . 1 1 16 16 GLU H H 16 9.032 9.032 8.541 0.491 17598 2994 1 7 . 1 1 17 17 THR N N 17 110.875 110.875 114.014 -3.139 17598 2995 1 7 . 1 1 17 17 THR HA H 17 4.313 4.313 4.330 -0.017 17598 2996 1 7 . 1 1 17 17 THR CA C 17 61.660 61.660 61.667 -0.007 17598 2997 1 7 . 1 1 17 17 THR CB C 17 69.392 69.392 68.891 0.501 17598 2998 1 7 . 1 1 17 17 THR H H 17 8.453 8.453 7.924 0.529 17598 2999 1 7 . 1 1 18 18 ARG N N 18 124.313 124.313 121.790 2.523 17598 3000 1 7 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.192 -0.085 17598 3001 1 7 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.115 -0.182 17598 3002 1 7 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.709 0.312 17598 3003 1 7 . 1 1 18 18 ARG H H 18 6.969 6.969 7.712 -0.743 17598 3004 1 7 . 1 1 19 19 VAL N N 19 127.750 127.750 119.680 8.070 17598 3005 1 7 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.056 -0.263 17598 3006 1 7 . 1 1 19 19 VAL CA C 19 62.530 62.530 62.664 -0.134 17598 3007 1 7 . 1 1 19 19 VAL CB C 19 31.021 31.021 31.936 -0.915 17598 3008 1 7 . 1 1 19 19 VAL H H 19 8.494 8.494 8.301 0.193 17598 3009 1 7 . 1 1 20 20 LYS N N 20 129.005 129.005 127.511 1.494 17598 3010 1 7 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.552 -0.470 17598 3011 1 7 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.267 1.530 17598 3012 1 7 . 1 1 20 20 LYS CB C 20 33.025 33.025 31.656 1.369 17598 3013 1 7 . 1 1 20 20 LYS H H 20 8.406 8.406 8.430 -0.024 17598 3014 1 7 . 1 1 21 21 GLN N N 21 122.125 122.125 121.470 0.655 17598 3015 1 7 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.249 0.182 17598 3016 1 7 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.134 0.563 17598 3017 1 7 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.402 -0.195 17598 3018 1 7 . 1 1 21 21 GLN H H 21 9.783 9.783 8.321 1.462 17598 3019 1 7 . 1 1 22 22 PHE N N 22 126.785 126.785 119.970 6.815 17598 3020 1 7 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.342 -0.050 17598 3021 1 7 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.618 1.288 17598 3022 1 7 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.127 -0.022 17598 3023 1 7 . 1 1 22 22 PHE H H 22 9.214 9.214 8.581 0.633 17598 3024 1 7 . 1 1 23 23 LEU N N 23 115.846 115.846 117.784 -1.938 17598 3025 1 7 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.122 -0.002 17598 3026 1 7 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.727 -0.369 17598 3027 1 7 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.437 -0.340 17598 3028 1 7 . 1 1 23 23 LEU H H 23 9.173 9.173 8.342 0.831 17598 3029 1 7 . 1 1 24 24 GLU N N 24 117.032 117.032 118.262 -1.230 17598 3030 1 7 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.316 0.495 17598 3031 1 7 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.758 -2.103 17598 3032 1 7 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.857 0.441 17598 3033 1 7 . 1 1 24 24 GLU H H 24 7.789 7.789 8.404 -0.615 17598 3034 1 7 . 1 1 25 25 GLY N N 25 105.050 105.050 106.229 -1.179 17598 3035 1 7 . 1 1 25 25 GLY CA C 25 44.407 44.407 45.540 -1.133 17598 3036 1 7 . 1 1 25 25 GLY H H 25 7.640 7.640 7.504 0.136 17598 3037 1 7 . 1 1 26 26 PHE N N 26 115.467 115.467 117.950 -2.483 17598 3038 1 7 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.673 -0.169 17598 3039 1 7 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.587 -1.060 17598 3040 1 7 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.025 3.092 17598 3041 1 7 . 1 1 26 26 PHE H H 26 6.508 6.508 7.544 -1.036 17598 3042 1 7 . 1 1 27 27 ASN N N 27 118.006 118.006 116.639 1.367 17598 3043 1 7 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.630 -0.142 17598 3044 1 7 . 1 1 27 27 ASN CA C 27 53.029 53.029 52.875 0.154 17598 3045 1 7 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.963 -1.245 17598 3046 1 7 . 1 1 27 27 ASN H H 27 8.788 8.788 8.416 0.372 17598 3047 1 7 . 1 1 28 28 ILE N N 28 129.126 129.126 120.846 8.280 17598 3048 1 7 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.778 -0.090 17598 3049 1 7 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.059 1.848 17598 3050 1 7 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.576 0.467 17598 3051 1 7 . 1 1 28 28 ILE H H 28 9.557 9.557 8.644 0.913 17598 3052 1 7 . 1 1 29 29 GLU N N 29 120.068 120.068 118.315 1.753 17598 3053 1 7 . 1 1 29 29 GLU HA H 29 4.229 4.229 3.965 0.264 17598 3054 1 7 . 1 1 29 29 GLU CA C 29 58.347 58.347 59.297 -0.950 17598 3055 1 7 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.006 0.123 17598 3056 1 7 . 1 1 29 29 GLU H H 29 9.064 9.064 8.401 0.663 17598 3057 1 7 . 1 1 30 30 THR N N 30 109.404 109.404 113.021 -3.617 17598 3058 1 7 . 1 1 30 30 THR HA H 30 4.303 4.303 4.135 0.168 17598 3059 1 7 . 1 1 30 30 THR CA C 30 62.079 62.079 63.546 -1.467 17598 3060 1 7 . 1 1 30 30 THR CB C 30 69.583 69.583 68.264 1.319 17598 3061 1 7 . 1 1 30 30 THR H H 30 7.789 7.789 7.917 -0.128 17598 3062 1 7 . 1 1 31 31 PHE N N 31 120.250 120.250 118.709 1.541 17598 3063 1 7 . 1 1 31 31 PHE HA H 31 5.426 5.426 5.117 0.309 17598 3064 1 7 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.171 0.285 17598 3065 1 7 . 1 1 31 31 PHE CB C 31 39.993 39.993 39.748 0.245 17598 3066 1 7 . 1 1 31 31 PHE H H 31 7.236 7.236 7.112 0.124 17598 3067 1 7 . 1 1 32 32 GLU N N 32 118.531 118.531 120.257 -1.726 17598 3068 1 7 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.709 0.078 17598 3069 1 7 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.044 -1.115 17598 3070 1 7 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.681 0.012 17598 3071 1 7 . 1 1 32 32 GLU H H 32 8.644 8.644 8.752 -0.108 17598 3072 1 7 . 1 1 33 33 MET N N 33 127.438 127.438 126.503 0.935 17598 3073 1 7 . 1 1 33 33 MET HA H 33 4.643 4.643 4.205 0.438 17598 3074 1 7 . 1 1 33 33 MET CA C 33 56.411 56.411 57.493 -1.082 17598 3075 1 7 . 1 1 33 33 MET CB C 33 32.050 32.050 32.499 -0.449 17598 3076 1 7 . 1 1 33 33 MET H H 33 9.679 9.679 9.077 0.602 17598 3077 1 7 . 1 1 34 34 VAL N N 34 119.176 119.176 128.918 -9.742 17598 3078 1 7 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.012 0.762 17598 3079 1 7 . 1 1 34 34 VAL CA C 34 60.996 60.996 64.180 -3.183 17598 3080 1 7 . 1 1 34 34 VAL CB C 34 32.849 32.849 32.378 0.471 17598 3081 1 7 . 1 1 34 34 VAL H H 34 8.897 8.897 8.769 0.128 17598 3082 1 7 . 1 1 35 35 GLY N N 35 108.249 108.249 104.682 3.567 17598 3083 1 7 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.108 0.076 17598 3084 1 7 . 1 1 35 35 GLY H H 35 7.589 7.589 7.778 -0.189 17598 3085 1 7 . 1 1 36 36 THR N N 36 110.562 110.562 112.997 -2.435 17598 3086 1 7 . 1 1 36 36 THR HA H 36 5.088 5.088 4.952 0.136 17598 3087 1 7 . 1 1 36 36 THR CA C 36 60.060 60.060 60.563 -0.503 17598 3088 1 7 . 1 1 36 36 THR CB C 36 72.335 72.335 71.774 0.561 17598 3089 1 7 . 1 1 36 36 THR H H 36 8.300 8.300 8.137 0.163 17598 3090 1 7 . 1 1 37 37 LEU N N 37 122.334 122.334 125.259 -2.925 17598 3091 1 7 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.899 -0.194 17598 3092 1 7 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.234 1.287 17598 3093 1 7 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.211 1.104 17598 3094 1 7 . 1 1 37 37 LEU H H 37 8.886 8.886 8.971 -0.085 17598 3095 1 7 . 1 1 38 38 SER N N 38 119.156 119.156 118.657 0.499 17598 3096 1 7 . 1 1 38 38 SER HA H 38 5.489 5.489 5.515 -0.026 17598 3097 1 7 . 1 1 38 38 SER CA C 38 56.819 56.819 57.157 -0.338 17598 3098 1 7 . 1 1 38 38 SER CB C 38 64.655 64.655 64.941 -0.286 17598 3099 1 7 . 1 1 38 38 SER H H 38 8.694 8.694 8.530 0.164 17598 3100 1 7 . 1 1 39 39 ASN N N 39 124.156 124.156 122.407 1.749 17598 3101 1 7 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.476 -1.672 17598 3102 1 7 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.994 -0.131 17598 3103 1 7 . 1 1 39 39 ASN H H 39 9.068 9.068 8.755 0.313 17598 3104 1 7 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.104 0.063 17598 3105 1 7 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.652 0.074 17598 3106 1 7 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.221 -0.010 17598 3107 1 7 . 1 1 41 41 GLN N N 41 114.937 114.937 117.038 -2.101 17598 3108 1 7 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.247 0.103 17598 3109 1 7 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.950 -0.255 17598 3110 1 7 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.805 -0.817 17598 3111 1 7 . 1 1 41 41 GLN H H 41 8.399 8.399 8.303 0.097 17598 3112 1 7 . 1 1 42 42 GLY N N 42 108.502 108.502 105.584 2.918 17598 3113 1 7 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.409 0.162 17598 3114 1 7 . 1 1 42 42 GLY H H 42 7.892 7.892 7.973 -0.081 17598 3115 1 7 . 1 1 43 43 THR N N 43 116.344 116.344 117.480 -1.136 17598 3116 1 7 . 1 1 43 43 THR HA H 43 3.749 3.749 5.287 -1.538 17598 3117 1 7 . 1 1 43 43 THR CA C 43 69.834 69.834 61.186 8.648 17598 3118 1 7 . 1 1 43 43 THR CB C 43 70.316 70.316 69.692 0.624 17598 3119 1 7 . 1 1 43 43 THR H H 43 7.762 7.762 7.899 -0.137 17598 3120 1 7 . 1 1 44 44 PHE N N 44 123.688 123.688 124.800 -1.112 17598 3121 1 7 . 1 1 44 44 PHE HA H 44 5.106 5.106 5.103 0.003 17598 3122 1 7 . 1 1 44 44 PHE CA C 44 55.547 55.547 55.768 -0.221 17598 3123 1 7 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.006 -0.101 17598 3124 1 7 . 1 1 44 44 PHE H H 44 9.283 9.283 9.081 0.202 17598 3125 1 7 . 1 1 45 45 ALA N N 45 122.438 122.438 122.898 -0.460 17598 3126 1 7 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.949 0.002 17598 3127 1 7 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.486 -0.376 17598 3128 1 7 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.502 0.135 17598 3129 1 7 . 1 1 45 45 ALA H H 45 9.579 9.579 9.054 0.525 17598 3130 1 7 . 1 1 46 46 LEU N N 46 121.500 121.500 125.501 -4.001 17598 3131 1 7 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.163 -0.020 17598 3132 1 7 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.830 -0.848 17598 3133 1 7 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.866 -0.448 17598 3134 1 7 . 1 1 46 46 LEU H H 46 8.472 8.472 8.982 -0.510 17598 3135 1 7 . 1 1 47 47 VAL N N 47 122.125 122.125 123.449 -1.324 17598 3136 1 7 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.825 0.090 17598 3137 1 7 . 1 1 47 47 VAL CA C 47 59.423 59.423 58.816 0.607 17598 3138 1 7 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.838 -1.010 17598 3139 1 7 . 1 1 47 47 VAL H H 47 9.175 9.175 8.944 0.231 17598 3140 1 7 . 1 1 48 48 LYS N N 48 129.000 129.000 123.748 5.252 17598 3141 1 7 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.096 0.102 17598 3142 1 7 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.810 0.916 17598 3143 1 7 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.789 -0.756 17598 3144 1 7 . 1 1 48 48 LYS H H 48 9.675 9.675 8.222 1.453 17598 3145 1 7 . 1 1 49 49 GLY N N 49 113.844 113.844 111.058 2.786 17598 3146 1 7 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.434 -0.558 17598 3147 1 7 . 1 1 49 49 GLY H H 49 8.792 8.792 8.262 0.530 17598 3148 1 7 . 1 1 50 50 ALA N N 50 123.844 123.844 123.932 -0.088 17598 3149 1 7 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.962 -0.510 17598 3150 1 7 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.724 -0.742 17598 3151 1 7 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.759 0.191 17598 3152 1 7 . 1 1 50 50 ALA H H 50 8.963 8.963 8.621 0.342 17598 3153 1 7 . 1 1 51 51 GLY N N 51 105.406 105.406 110.719 -5.313 17598 3154 1 7 . 1 1 51 51 GLY CA C 51 45.544 45.544 44.997 0.547 17598 3155 1 7 . 1 1 51 51 GLY H H 51 8.582 8.582 8.527 0.055 17598 3156 1 7 . 1 1 52 52 GLY N N 52 108.644 108.644 109.685 -1.041 17598 3157 1 7 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.088 0.061 17598 3158 1 7 . 1 1 52 52 GLY H H 52 7.692 7.692 8.352 -0.660 17598 3159 1 7 . 1 1 53 53 VAL N N 53 121.656 121.656 120.499 1.157 17598 3160 1 7 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.769 -0.182 17598 3161 1 7 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.441 2.304 17598 3162 1 7 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.060 -1.093 17598 3163 1 7 . 1 1 53 53 VAL H H 53 7.928 7.928 8.036 -0.108 17598 3164 1 7 . 1 1 54 54 HIS N N 54 128.219 128.219 124.206 4.013 17598 3165 1 7 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.953 -0.330 17598 3166 1 7 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.015 0.851 17598 3167 1 7 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.717 1.586 17598 3168 1 7 . 1 1 54 54 HIS H H 54 9.188 9.188 8.800 0.388 17598 3169 1 7 . 1 1 55 55 ARG N N 55 122.125 122.125 125.427 -3.302 17598 3170 1 7 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.164 -0.137 17598 3171 1 7 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.387 -0.103 17598 3172 1 7 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.349 -0.592 17598 3173 1 7 . 1 1 55 55 ARG H H 55 8.816 8.816 8.737 0.079 17598 3174 1 7 . 1 1 56 56 VAL N N 56 124.229 124.229 119.007 5.222 17598 3175 1 7 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.938 -0.230 17598 3176 1 7 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.125 0.557 17598 3177 1 7 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.343 0.124 17598 3178 1 7 . 1 1 56 56 VAL H H 56 9.444 9.444 9.006 0.438 17598 3179 1 7 . 1 1 57 57 ARG N N 57 124.554 124.554 123.689 0.865 17598 3180 1 7 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.581 0.242 17598 3181 1 7 . 1 1 57 57 ARG CA C 57 53.324 53.324 54.028 -0.704 17598 3182 1 7 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.038 1.947 17598 3183 1 7 . 1 1 57 57 ARG H H 57 9.124 9.124 8.701 0.423 17598 3184 1 7 . 1 1 58 58 VAL N N 58 120.250 120.250 120.490 -0.240 17598 3185 1 7 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.527 -0.172 17598 3186 1 7 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.185 0.261 17598 3187 1 7 . 1 1 58 58 VAL CB C 58 30.932 30.932 29.927 1.006 17598 3188 1 7 . 1 1 58 58 VAL H H 58 8.327 8.327 8.150 0.177 17598 3189 1 7 . 1 1 59 59 GLY N N 59 117.437 117.437 116.419 1.018 17598 3190 1 7 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.503 0.072 17598 3191 1 7 . 1 1 59 59 GLY H H 59 9.097 9.097 8.666 0.431 17598 3192 1 7 . 1 1 60 60 ASP N N 60 121.031 121.031 121.957 -0.926 17598 3193 1 7 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.474 0.477 17598 3194 1 7 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.676 -1.334 17598 3195 1 7 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.677 0.081 17598 3196 1 7 . 1 1 60 60 ASP H H 60 7.800 7.800 8.097 -0.297 17598 3197 1 7 . 1 1 61 61 TYR N N 61 115.406 115.406 115.383 0.023 17598 3198 1 7 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.416 0.174 17598 3199 1 7 . 1 1 61 61 TYR CA C 61 56.792 56.792 57.061 -0.269 17598 3200 1 7 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.170 0.400 17598 3201 1 7 . 1 1 61 61 TYR H H 61 7.834 7.834 8.364 -0.530 17598 3202 1 7 . 1 1 62 62 LEU N N 62 117.750 117.750 121.100 -3.350 17598 3203 1 7 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.716 -0.415 17598 3204 1 7 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.357 -0.360 17598 3205 1 7 . 1 1 62 62 LEU CB C 62 46.770 46.770 47.043 -0.273 17598 3206 1 7 . 1 1 62 62 LEU H H 62 9.362 9.362 8.812 0.550 17598 3207 1 7 . 1 1 63 63 GLY N N 63 107.303 107.303 107.759 -0.456 17598 3208 1 7 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.245 -0.957 17598 3209 1 7 . 1 1 63 63 GLY H H 63 7.945 7.945 8.217 -0.273 17598 3210 1 7 . 1 1 64 64 ARG N N 64 113.687 113.687 121.115 -7.428 17598 3211 1 7 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.304 0.137 17598 3212 1 7 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.549 -0.280 17598 3213 1 7 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.435 0.311 17598 3214 1 7 . 1 1 64 64 ARG H H 64 8.424 8.424 8.480 -0.056 17598 3215 1 7 . 1 1 65 65 ASN N N 65 121.626 121.626 116.532 5.094 17598 3216 1 7 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.776 0.723 17598 3217 1 7 . 1 1 65 65 ASN CA C 65 53.356 53.356 53.079 0.277 17598 3218 1 7 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.323 1.193 17598 3219 1 7 . 1 1 65 65 ASN H H 65 9.529 9.529 8.116 1.413 17598 3220 1 7 . 1 1 66 66 ASP N N 66 116.656 116.656 117.585 -0.929 17598 3221 1 7 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.630 -0.731 17598 3222 1 7 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.550 -0.762 17598 3223 1 7 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.204 0.216 17598 3224 1 7 . 1 1 66 66 ASP H H 66 9.397 9.397 7.906 1.491 17598 3225 1 7 . 1 1 67 67 GLY N N 67 100.587 100.587 105.545 -4.958 17598 3226 1 7 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.252 2.759 17598 3227 1 7 . 1 1 67 67 GLY H H 67 7.424 7.424 8.264 -0.840 17598 3228 1 7 . 1 1 68 68 LYS N N 68 130.952 130.952 128.299 2.653 17598 3229 1 7 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.871 -1.023 17598 3230 1 7 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.128 -0.149 17598 3231 1 7 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.383 0.074 17598 3232 1 7 . 1 1 68 68 LYS H H 68 8.121 8.121 8.870 -0.749 17598 3233 1 7 . 1 1 69 69 VAL N N 69 126.813 126.813 126.954 -0.141 17598 3234 1 7 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.843 0.269 17598 3235 1 7 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.023 -0.740 17598 3236 1 7 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.532 0.202 17598 3237 1 7 . 1 1 69 69 VAL H H 69 9.113 9.113 8.352 0.761 17598 3238 1 7 . 1 1 70 70 VAL N N 70 122.594 122.594 123.718 -1.124 17598 3239 1 7 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.511 0.094 17598 3240 1 7 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.864 -0.967 17598 3241 1 7 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.724 -1.081 17598 3242 1 7 . 1 1 70 70 VAL H H 70 8.968 8.968 8.669 0.299 17598 3243 1 7 . 1 1 71 71 GLY N N 71 110.562 110.562 109.702 0.860 17598 3244 1 7 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.400 1.800 17598 3245 1 7 . 1 1 71 71 GLY H H 71 7.638 7.638 8.067 -0.429 17598 3246 1 7 . 1 1 72 72 ILE N N 72 123.063 123.063 123.759 -0.696 17598 3247 1 7 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.277 0.182 17598 3248 1 7 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.588 0.786 17598 3249 1 7 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.415 2.966 17598 3250 1 7 . 1 1 72 72 ILE H H 72 8.404 8.404 8.490 -0.086 17598 3251 1 7 . 1 1 73 73 SER N N 73 123.531 123.531 122.490 1.041 17598 3252 1 7 . 1 1 73 73 SER HA H 73 4.723 4.723 4.766 -0.043 17598 3253 1 7 . 1 1 73 73 SER CA C 73 56.220 56.220 57.105 -0.885 17598 3254 1 7 . 1 1 73 73 SER CB C 73 65.450 65.450 64.593 0.857 17598 3255 1 7 . 1 1 73 73 SER H H 73 8.801 8.801 8.764 0.037 17598 3256 1 7 . 1 1 74 74 GLU N N 74 116.656 116.656 118.106 -1.450 17598 3257 1 7 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.354 -0.050 17598 3258 1 7 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.084 -1.354 17598 3259 1 7 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.314 -1.212 17598 3260 1 7 . 1 1 74 74 GLU H H 74 8.537 8.537 8.454 0.083 17598 3261 1 7 . 1 1 75 75 GLY N N 75 102.989 102.989 106.431 -3.442 17598 3262 1 7 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.762 0.256 17598 3263 1 7 . 1 1 75 75 GLY H H 75 8.124 8.124 8.157 -0.033 17598 3264 1 7 . 1 1 76 76 LYS N N 76 120.094 120.094 117.008 3.086 17598 3265 1 7 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.120 0.141 17598 3266 1 7 . 1 1 76 76 LYS CA C 76 56.601 56.601 54.965 1.636 17598 3267 1 7 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.600 -0.189 17598 3268 1 7 . 1 1 76 76 LYS H H 76 7.546 7.546 7.381 0.165 17598 3269 1 7 . 1 1 77 77 ILE N N 77 121.344 121.344 121.171 0.173 17598 3270 1 7 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.689 -0.139 17598 3271 1 7 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.685 1.162 17598 3272 1 7 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.233 1.383 17598 3273 1 7 . 1 1 77 77 ILE H H 77 8.776 8.776 8.660 0.116 17598 3274 1 7 . 1 1 78 78 ASP N N 78 126.813 126.813 129.580 -2.767 17598 3275 1 7 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.243 -0.042 17598 3276 1 7 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.727 -0.607 17598 3277 1 7 . 1 1 78 78 ASP CB C 78 42.952 42.952 42.133 0.819 17598 3278 1 7 . 1 1 78 78 ASP H H 78 8.964 8.964 8.505 0.459 17598 3279 1 7 . 1 1 79 79 VAL N N 79 124.156 124.156 118.855 5.301 17598 3280 1 7 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.068 0.111 17598 3281 1 7 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.591 -0.317 17598 3282 1 7 . 1 1 79 79 VAL CB C 79 36.079 36.079 35.933 0.146 17598 3283 1 7 . 1 1 79 79 VAL H H 79 9.060 9.060 9.312 -0.252 17598 3284 1 7 . 1 1 80 80 ILE N N 80 126.656 126.656 123.796 2.860 17598 3285 1 7 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.343 0.152 17598 3286 1 7 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.801 1.382 17598 3287 1 7 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.358 1.929 17598 3288 1 7 . 1 1 80 80 ILE H H 80 8.812 8.812 8.988 -0.176 17598 3289 1 7 . 1 1 81 81 GLU N N 81 126.656 126.656 127.609 -0.953 17598 3290 1 7 . 1 1 81 81 GLU HA H 81 4.622 4.622 5.100 -0.478 17598 3291 1 7 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.227 0.847 17598 3292 1 7 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.655 -1.012 17598 3293 1 7 . 1 1 81 81 GLU H H 81 8.283 8.283 8.614 -0.331 17598 3294 1 7 . 1 1 82 82 ILE N N 82 120.094 120.094 121.206 -1.112 17598 3295 1 7 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.798 0.235 17598 3296 1 7 . 1 1 82 82 ILE CA C 82 60.228 60.228 60.345 -0.117 17598 3297 1 7 . 1 1 82 82 ILE CB C 82 39.038 39.038 39.275 -0.237 17598 3298 1 7 . 1 1 82 82 ILE H H 82 8.252 8.252 8.528 -0.276 17598 3299 1 7 . 1 1 83 83 VAL N N 83 120.094 120.094 121.338 -1.244 17598 3300 1 7 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.060 0.162 17598 3301 1 7 . 1 1 83 83 VAL CA C 83 57.223 57.223 58.237 -1.014 17598 3302 1 7 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.768 -1.175 17598 3303 1 7 . 1 1 83 83 VAL H H 83 9.201 9.201 8.949 0.252 17598 3304 1 7 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.221 0.154 17598 3305 1 7 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.723 -0.681 17598 3306 1 7 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.114 -0.257 17598 3307 1 7 . 1 1 85 85 ASP N N 85 120.250 120.250 121.453 -1.203 17598 3308 1 7 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.584 -0.079 17598 3309 1 7 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.475 -1.978 17598 3310 1 7 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.962 -0.728 17598 3311 1 7 . 1 1 85 85 ASP H H 85 8.083 8.083 8.476 -0.393 17598 3312 1 7 . 1 1 86 86 GLY N N 86 109.156 109.156 106.103 3.053 17598 3313 1 7 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.582 -0.530 17598 3314 1 7 . 1 1 86 86 GLY H H 86 8.160 8.160 8.308 -0.148 17598 3315 1 7 . 1 1 87 87 GLU N N 87 120.719 120.719 120.485 0.234 17598 3316 1 7 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.480 -0.039 17598 3317 1 7 . 1 1 87 87 GLU CA C 87 54.979 54.979 55.912 -0.933 17598 3318 1 7 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.464 -0.302 17598 3319 1 7 . 1 1 87 87 GLU H H 87 8.663 8.663 8.598 0.065 17598 3320 1 7 . 1 1 88 88 GLY N N 88 109.312 109.312 107.095 2.217 17598 3321 1 7 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.553 0.212 17598 3322 1 7 . 1 1 88 88 GLY H H 88 8.417 8.417 7.943 0.474 17598 3323 1 7 . 1 1 89 89 ASN N N 89 119.625 119.625 118.262 1.363 17598 3324 1 7 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.741 0.256 17598 3325 1 7 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.446 -1.476 17598 3326 1 7 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.942 0.146 17598 3327 1 7 . 1 1 89 89 ASN H H 89 8.331 8.331 7.768 0.563 17598 3328 1 7 . 1 1 90 90 TRP N N 90 121.188 121.188 118.583 2.605 17598 3329 1 7 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.125 0.036 17598 3330 1 7 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.896 -0.126 17598 3331 1 7 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.502 0.759 17598 3332 1 7 . 1 1 90 90 TRP H H 90 8.538 8.538 8.512 0.026 17598 3333 1 7 . 1 1 91 91 LEU N N 91 121.031 121.031 119.632 1.399 17598 3334 1 7 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.853 -0.038 17598 3335 1 7 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.716 0.640 17598 3336 1 7 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.921 -1.678 17598 3337 1 7 . 1 1 91 91 LEU H H 91 9.518 9.518 9.083 0.435 17598 3338 1 7 . 1 1 92 92 GLU N N 92 119.156 119.156 119.417 -0.261 17598 3339 1 7 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.501 0.551 17598 3340 1 7 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.815 -1.455 17598 3341 1 7 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.520 0.882 17598 3342 1 7 . 1 1 92 92 GLU H H 92 8.490 8.490 8.721 -0.231 17598 3343 1 7 . 1 1 93 93 ARG N N 93 124.938 124.938 121.694 3.244 17598 3344 1 7 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.711 0.353 17598 3345 1 7 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.967 -0.273 17598 3346 1 7 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.522 1.639 17598 3347 1 7 . 1 1 93 93 ARG H H 93 9.283 9.283 8.610 0.673 17598 3348 1 7 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.721 0.522 17598 3349 1 7 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.945 -0.692 17598 3350 1 7 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.485 1.089 17598 3351 1 7 . 1 1 95 95 ARG N N 95 120.416 120.416 124.751 -4.335 17598 3352 1 7 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.590 0.106 17598 3353 1 7 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.773 -0.150 17598 3354 1 7 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.891 -0.499 17598 3355 1 7 . 1 1 95 95 ARG H H 95 9.115 9.115 8.782 0.333 17598 3356 1 7 . 1 1 96 96 SER N N 96 115.719 115.719 118.244 -2.525 17598 3357 1 7 . 1 1 96 96 SER HA H 96 5.781 5.781 5.390 0.391 17598 3358 1 7 . 1 1 96 96 SER CA C 96 56.824 56.824 57.116 -0.292 17598 3359 1 7 . 1 1 96 96 SER CB C 96 65.906 65.906 64.545 1.361 17598 3360 1 7 . 1 1 96 96 SER H H 96 8.676 8.676 8.648 0.028 17598 3361 1 7 . 1 1 97 97 LEU N N 97 126.188 126.188 127.884 -1.696 17598 3362 1 7 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.698 0.175 17598 3363 1 7 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.808 1.226 17598 3364 1 7 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.307 1.624 17598 3365 1 7 . 1 1 97 97 LEU H H 97 9.030 9.030 9.020 0.010 17598 3366 1 7 . 1 1 98 98 THR N N 98 113.687 113.687 114.654 -0.967 17598 3367 1 7 . 1 1 98 98 THR HA H 98 4.869 4.869 4.469 0.400 17598 3368 1 7 . 1 1 98 98 THR CA C 98 60.265 60.265 60.834 -0.569 17598 3369 1 7 . 1 1 98 98 THR CB C 98 70.650 70.650 69.996 0.654 17598 3370 1 7 . 1 1 98 98 THR H H 98 8.410 8.410 8.322 0.088 17598 3371 1 7 . 1 1 99 99 LEU N N 99 126.344 126.344 126.493 -0.149 17598 3372 1 7 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.005 0.080 17598 3373 1 7 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.309 -0.538 17598 3374 1 7 . 1 1 99 99 LEU CB C 99 43.053 43.053 41.941 1.113 17598 3375 1 7 . 1 1 99 99 LEU H H 99 7.806 7.806 8.408 -0.602 17598 3376 1 7 . 1 1 100 100 LYS N N 100 128.063 128.063 122.064 5.999 17598 3377 1 7 . 1 1 100 100 LYS HA H 100 4.395 4.395 3.858 0.537 17598 3378 1 7 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.555 -1.640 17598 3379 1 7 . 1 1 100 100 LYS CB C 100 33.060 33.060 30.284 2.776 17598 3380 1 7 . 1 1 100 100 LYS H H 100 8.816 8.816 8.516 0.300 17598 3381 1 7 . 1 1 101 101 GLU N N 101 123.531 123.531 116.744 6.787 17598 3382 1 7 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.525 -0.536 17598 3383 1 7 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.550 0.420 17598 3384 1 7 . 1 1 101 101 GLU CB C 101 30.589 30.589 33.764 -3.175 17598 3385 1 7 . 1 1 101 101 GLU H H 101 8.323 8.323 7.882 0.441 17598 3386 1 7 . 1 1 102 102 ARG N N 102 122.965 122.965 119.321 3.644 17598 3387 1 7 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.672 -0.305 17598 3388 1 7 . 1 1 102 102 ARG CA C 102 55.774 55.774 54.641 1.133 17598 3389 1 7 . 1 1 102 102 ARG CB C 102 30.559 30.559 31.745 -1.186 17598 3390 1 7 . 1 1 102 102 ARG H H 102 8.414 8.414 8.534 -0.120 17598 3391 1 7 . 1 1 103 103 SER N N 103 117.435 117.435 113.640 3.795 17598 3392 1 7 . 1 1 103 103 SER HA H 103 4.431 4.431 4.498 -0.067 17598 3393 1 7 . 1 1 103 103 SER CA C 103 58.079 58.079 58.419 -0.340 17598 3394 1 7 . 1 1 103 103 SER CB C 103 63.554 63.554 64.654 -1.100 17598 3395 1 7 . 1 1 103 103 SER H H 103 8.423 8.423 8.371 0.052 17598 3396 1 7 . 1 1 104 104 LEU N N 104 124.423 124.423 121.847 2.576 17598 3397 1 7 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.024 0.300 17598 3398 1 7 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.943 0.181 17598 3399 1 7 . 1 1 104 104 LEU CB C 104 41.989 41.989 41.934 0.055 17598 3400 1 7 . 1 1 104 104 LEU H H 104 8.369 8.369 8.422 -0.053 17598 3401 1 7 . 1 1 105 105 GLU N N 105 120.875 120.875 118.917 1.958 17598 3402 1 7 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.121 -0.107 17598 3403 1 7 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.407 1.538 17598 3404 1 7 . 1 1 105 105 GLU CB C 105 29.846 29.846 30.241 -0.395 17598 3405 1 7 . 1 1 105 105 GLU H H 105 8.249 8.249 7.982 0.267 17598 3406 1 7 . 1 1 106 106 HIS N N 106 120.719 120.719 120.655 0.064 17598 3407 1 7 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.032 1.576 17598 3408 1 7 . 1 1 106 106 HIS CB C 106 32.448 32.448 31.103 1.345 17598 3409 1 7 . 1 1 106 106 HIS H H 106 8.274 8.274 8.238 0.036 17598 3410 1 7 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.546 0.040 17598 3411 1 7 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.574 0.230 17598 3412 1 7 . 1 1 107 107 HIS CB C 107 30.424 30.424 27.817 2.607 17598 3413 1 7 . 1 1 108 108 HIS N N 108 125.843 125.843 120.949 4.894 17598 3414 1 7 . 1 1 108 108 HIS CA C 108 57.105 57.105 54.893 2.212 17598 3415 1 7 . 1 1 108 108 HIS CB C 108 30.424 30.424 28.834 1.590 17598 3416 1 7 . 1 1 108 108 HIS H H 108 7.941 7.941 7.745 0.196 17598 3417 1 8 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.725 -0.350 17598 3418 1 8 . 1 1 2 2 LEU CA C 2 55.350 55.350 55.764 -0.414 17598 3419 1 8 . 1 1 2 2 LEU CB C 2 42.048 42.048 43.456 -1.407 17598 3420 1 8 . 1 1 3 3 THR N N 3 114.937 114.937 117.035 -2.098 17598 3421 1 8 . 1 1 3 3 THR HA H 3 4.205 4.205 4.588 -0.383 17598 3422 1 8 . 1 1 3 3 THR CA C 3 62.493 62.493 60.996 1.497 17598 3423 1 8 . 1 1 3 3 THR CB C 3 69.391 69.391 69.873 -0.482 17598 3424 1 8 . 1 1 3 3 THR H H 3 8.316 8.316 8.223 0.094 17598 3425 1 8 . 1 1 4 4 VAL N N 4 122.438 122.438 120.045 2.393 17598 3426 1 8 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.430 -0.362 17598 3427 1 8 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.715 0.778 17598 3428 1 8 . 1 1 4 4 VAL CB C 4 32.358 32.358 33.309 -0.951 17598 3429 1 8 . 1 1 4 4 VAL H H 4 7.953 7.953 8.157 -0.204 17598 3430 1 8 . 1 1 5 5 ARG N N 5 124.781 124.781 123.390 1.391 17598 3431 1 8 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.650 -0.300 17598 3432 1 8 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.801 0.041 17598 3433 1 8 . 1 1 5 5 ARG CB C 5 30.643 30.643 31.841 -1.198 17598 3434 1 8 . 1 1 5 5 ARG H H 5 8.319 8.319 8.467 -0.148 17598 3435 1 8 . 1 1 6 6 GLN N N 6 121.656 121.656 119.969 1.687 17598 3436 1 8 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.703 0.139 17598 3437 1 8 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.892 -0.703 17598 3438 1 8 . 1 1 6 6 GLN H H 6 8.373 8.373 8.466 -0.093 17598 3439 1 8 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.641 -0.832 17598 3440 1 8 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.098 -1.266 17598 3441 1 8 . 1 1 7 7 LYS CB C 7 30.063 30.063 34.154 -4.091 17598 3442 1 8 . 1 1 8 8 GLY CA C 8 44.729 44.729 46.018 -1.289 17598 3443 1 8 . 1 1 8 8 GLY H H 8 8.407 8.407 8.463 -0.056 17598 3444 1 8 . 1 1 9 9 ASN N N 9 118.812 118.812 118.335 0.477 17598 3445 1 8 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.778 -0.062 17598 3446 1 8 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.337 0.546 17598 3447 1 8 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.448 -0.556 17598 3448 1 8 . 1 1 9 9 ASN H H 9 8.337 8.337 8.100 0.237 17598 3449 1 8 . 1 1 10 10 LYS N N 10 122.131 122.131 120.337 1.794 17598 3450 1 8 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.300 0.032 17598 3451 1 8 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.471 -0.501 17598 3452 1 8 . 1 1 10 10 LYS CB C 10 32.574 32.574 33.036 -0.462 17598 3453 1 8 . 1 1 10 10 LYS H H 10 8.253 8.253 8.496 -0.243 17598 3454 1 8 . 1 1 11 11 VAL N N 11 123.026 123.026 119.013 4.013 17598 3455 1 8 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.544 -0.408 17598 3456 1 8 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.689 0.316 17598 3457 1 8 . 1 1 11 11 VAL CB C 11 32.822 32.822 32.211 0.611 17598 3458 1 8 . 1 1 11 11 VAL H H 11 8.428 8.428 8.151 0.277 17598 3459 1 8 . 1 1 12 12 ILE N N 12 127.174 127.174 120.956 6.218 17598 3460 1 8 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.602 -0.498 17598 3461 1 8 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.466 -0.464 17598 3462 1 8 . 1 1 12 12 ILE CB C 12 37.733 37.733 40.603 -2.870 17598 3463 1 8 . 1 1 12 12 ILE H H 12 8.345 8.345 8.295 0.050 17598 3464 1 8 . 1 1 13 13 LYS N N 13 122.906 122.906 124.660 -1.754 17598 3465 1 8 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.702 -0.885 17598 3466 1 8 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.151 -0.194 17598 3467 1 8 . 1 1 13 13 LYS CB C 13 32.517 32.517 33.036 -0.519 17598 3468 1 8 . 1 1 13 13 LYS H H 13 7.662 7.662 8.477 -0.815 17598 3469 1 8 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.273 -0.348 17598 3470 1 8 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.522 0.015 17598 3471 1 8 . 1 1 14 14 PRO CB C 14 31.593 31.593 32.459 -0.866 17598 3472 1 8 . 1 1 15 15 ASP N N 15 121.969 121.969 121.532 0.437 17598 3473 1 8 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.586 -0.063 17598 3474 1 8 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.849 -0.875 17598 3475 1 8 . 1 1 15 15 ASP CB C 15 40.470 40.470 40.613 -0.143 17598 3476 1 8 . 1 1 15 15 ASP H H 15 8.607 8.607 8.549 0.058 17598 3477 1 8 . 1 1 16 16 GLU N N 16 126.813 126.813 120.343 6.470 17598 3478 1 8 . 1 1 16 16 GLU HA H 16 4.192 4.192 3.953 0.239 17598 3479 1 8 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.343 0.308 17598 3480 1 8 . 1 1 16 16 GLU CB C 16 29.207 29.207 28.855 0.353 17598 3481 1 8 . 1 1 16 16 GLU H H 16 9.032 9.032 8.519 0.513 17598 3482 1 8 . 1 1 17 17 THR N N 17 110.875 110.875 104.811 6.064 17598 3483 1 8 . 1 1 17 17 THR HA H 17 4.313 4.313 3.808 0.505 17598 3484 1 8 . 1 1 17 17 THR CA C 17 61.660 61.660 63.459 -1.799 17598 3485 1 8 . 1 1 17 17 THR CB C 17 69.392 69.392 67.991 1.401 17598 3486 1 8 . 1 1 17 17 THR H H 17 8.453 8.453 8.064 0.389 17598 3487 1 8 . 1 1 18 18 ARG N N 18 124.313 124.313 119.005 5.308 17598 3488 1 8 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.679 -0.572 17598 3489 1 8 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.179 0.754 17598 3490 1 8 . 1 1 18 18 ARG CB C 18 31.021 31.021 33.197 -2.176 17598 3491 1 8 . 1 1 18 18 ARG H H 18 6.969 6.969 7.966 -0.997 17598 3492 1 8 . 1 1 19 19 VAL N N 19 127.750 127.750 119.460 8.290 17598 3493 1 8 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.214 -0.421 17598 3494 1 8 . 1 1 19 19 VAL CA C 19 62.530 62.530 62.084 0.446 17598 3495 1 8 . 1 1 19 19 VAL CB C 19 31.021 31.021 33.959 -2.938 17598 3496 1 8 . 1 1 19 19 VAL H H 19 8.494 8.494 8.371 0.123 17598 3497 1 8 . 1 1 20 20 LYS N N 20 129.005 129.005 127.038 1.967 17598 3498 1 8 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.601 -0.519 17598 3499 1 8 . 1 1 20 20 LYS CA C 20 56.797 56.797 56.114 0.683 17598 3500 1 8 . 1 1 20 20 LYS CB C 20 33.025 33.025 31.688 1.337 17598 3501 1 8 . 1 1 20 20 LYS H H 20 8.406 8.406 8.593 -0.187 17598 3502 1 8 . 1 1 21 21 GLN N N 21 122.125 122.125 118.462 3.663 17598 3503 1 8 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.571 -0.140 17598 3504 1 8 . 1 1 21 21 GLN CA C 21 56.697 56.697 54.929 1.768 17598 3505 1 8 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.087 0.120 17598 3506 1 8 . 1 1 21 21 GLN H H 21 9.783 9.783 8.218 1.565 17598 3507 1 8 . 1 1 22 22 PHE N N 22 126.785 126.785 119.773 7.012 17598 3508 1 8 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.019 0.273 17598 3509 1 8 . 1 1 22 22 PHE CA C 22 61.906 61.906 61.375 0.531 17598 3510 1 8 . 1 1 22 22 PHE CB C 22 39.105 39.105 37.327 1.778 17598 3511 1 8 . 1 1 22 22 PHE H H 22 9.214 9.214 8.056 1.158 17598 3512 1 8 . 1 1 23 23 LEU N N 23 115.846 115.846 120.145 -4.299 17598 3513 1 8 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.033 0.087 17598 3514 1 8 . 1 1 23 23 LEU CA C 23 56.358 56.358 58.013 -1.655 17598 3515 1 8 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.124 -0.027 17598 3516 1 8 . 1 1 23 23 LEU H H 23 9.173 9.173 8.554 0.619 17598 3517 1 8 . 1 1 24 24 GLU N N 24 117.032 117.032 117.839 -0.807 17598 3518 1 8 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.229 0.582 17598 3519 1 8 . 1 1 24 24 GLU CA C 24 56.655 56.655 59.553 -2.897 17598 3520 1 8 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.722 0.576 17598 3521 1 8 . 1 1 24 24 GLU H H 24 7.789 7.789 8.608 -0.819 17598 3522 1 8 . 1 1 25 25 GLY N N 25 105.050 105.050 105.599 -0.549 17598 3523 1 8 . 1 1 25 25 GLY CA C 25 44.407 44.407 45.378 -0.971 17598 3524 1 8 . 1 1 25 25 GLY H H 25 7.640 7.640 7.788 -0.148 17598 3525 1 8 . 1 1 26 26 PHE N N 26 115.467 115.467 118.120 -2.653 17598 3526 1 8 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.646 -0.142 17598 3527 1 8 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.721 -0.194 17598 3528 1 8 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.707 2.410 17598 3529 1 8 . 1 1 26 26 PHE H H 26 6.508 6.508 7.811 -1.303 17598 3530 1 8 . 1 1 27 27 ASN N N 27 118.006 118.006 118.085 -0.079 17598 3531 1 8 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.518 -0.030 17598 3532 1 8 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.484 -1.455 17598 3533 1 8 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.473 -1.755 17598 3534 1 8 . 1 1 27 27 ASN H H 27 8.788 8.788 8.554 0.234 17598 3535 1 8 . 1 1 28 28 ILE N N 28 129.126 129.126 121.107 8.019 17598 3536 1 8 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.919 -0.231 17598 3537 1 8 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.310 1.597 17598 3538 1 8 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.399 0.644 17598 3539 1 8 . 1 1 28 28 ILE H H 28 9.557 9.557 8.624 0.933 17598 3540 1 8 . 1 1 29 29 GLU N N 29 120.068 120.068 118.431 1.637 17598 3541 1 8 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.104 0.125 17598 3542 1 8 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.749 -0.402 17598 3543 1 8 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.549 -0.420 17598 3544 1 8 . 1 1 29 29 GLU H H 29 9.064 9.064 8.550 0.514 17598 3545 1 8 . 1 1 30 30 THR N N 30 109.404 109.404 109.125 0.279 17598 3546 1 8 . 1 1 30 30 THR HA H 30 4.303 4.303 4.141 0.162 17598 3547 1 8 . 1 1 30 30 THR CA C 30 62.079 62.079 63.462 -1.383 17598 3548 1 8 . 1 1 30 30 THR CB C 30 69.583 69.583 68.613 0.970 17598 3549 1 8 . 1 1 30 30 THR H H 30 7.789 7.789 7.649 0.140 17598 3550 1 8 . 1 1 31 31 PHE N N 31 120.250 120.250 120.876 -0.626 17598 3551 1 8 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.993 0.433 17598 3552 1 8 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.621 -0.165 17598 3553 1 8 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.262 -0.269 17598 3554 1 8 . 1 1 31 31 PHE H H 31 7.236 7.236 7.145 0.091 17598 3555 1 8 . 1 1 32 32 GLU N N 32 118.531 118.531 119.935 -1.404 17598 3556 1 8 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.706 0.081 17598 3557 1 8 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.230 -1.301 17598 3558 1 8 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.977 -0.284 17598 3559 1 8 . 1 1 32 32 GLU H H 32 8.644 8.644 8.420 0.224 17598 3560 1 8 . 1 1 33 33 MET N N 33 127.438 127.438 126.381 1.057 17598 3561 1 8 . 1 1 33 33 MET HA H 33 4.643 4.643 4.190 0.453 17598 3562 1 8 . 1 1 33 33 MET CA C 33 56.411 56.411 57.331 -0.920 17598 3563 1 8 . 1 1 33 33 MET CB C 33 32.050 32.050 33.089 -1.039 17598 3564 1 8 . 1 1 33 33 MET H H 33 9.679 9.679 9.139 0.540 17598 3565 1 8 . 1 1 34 34 VAL N N 34 119.176 119.176 125.732 -6.556 17598 3566 1 8 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.462 0.312 17598 3567 1 8 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.108 -0.112 17598 3568 1 8 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.360 -0.511 17598 3569 1 8 . 1 1 34 34 VAL H H 34 8.897 8.897 8.648 0.249 17598 3570 1 8 . 1 1 35 35 GLY N N 35 108.249 108.249 106.022 2.227 17598 3571 1 8 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.484 -0.300 17598 3572 1 8 . 1 1 35 35 GLY H H 35 7.589 7.589 7.934 -0.345 17598 3573 1 8 . 1 1 36 36 THR N N 36 110.562 110.562 113.052 -2.490 17598 3574 1 8 . 1 1 36 36 THR HA H 36 5.088 5.088 4.535 0.553 17598 3575 1 8 . 1 1 36 36 THR CA C 36 60.060 60.060 61.352 -1.292 17598 3576 1 8 . 1 1 36 36 THR CB C 36 72.335 72.335 71.940 0.395 17598 3577 1 8 . 1 1 36 36 THR H H 36 8.300 8.300 8.227 0.073 17598 3578 1 8 . 1 1 37 37 LEU N N 37 122.334 122.334 124.469 -2.135 17598 3579 1 8 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.878 -0.173 17598 3580 1 8 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.702 0.819 17598 3581 1 8 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.105 1.210 17598 3582 1 8 . 1 1 37 37 LEU H H 37 8.886 8.886 8.775 0.111 17598 3583 1 8 . 1 1 38 38 SER N N 38 119.156 119.156 119.497 -0.341 17598 3584 1 8 . 1 1 38 38 SER HA H 38 5.489 5.489 5.385 0.104 17598 3585 1 8 . 1 1 38 38 SER CA C 38 56.819 56.819 57.734 -0.916 17598 3586 1 8 . 1 1 38 38 SER CB C 38 64.655 64.655 64.888 -0.233 17598 3587 1 8 . 1 1 38 38 SER H H 38 8.694 8.694 8.668 0.026 17598 3588 1 8 . 1 1 39 39 ASN N N 39 124.156 124.156 124.678 -0.522 17598 3589 1 8 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.451 -0.647 17598 3590 1 8 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.757 0.106 17598 3591 1 8 . 1 1 39 39 ASN H H 39 9.068 9.068 8.880 0.188 17598 3592 1 8 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.102 0.065 17598 3593 1 8 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.694 0.032 17598 3594 1 8 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.253 -0.042 17598 3595 1 8 . 1 1 41 41 GLN N N 41 114.937 114.937 116.955 -2.018 17598 3596 1 8 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.261 0.089 17598 3597 1 8 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.684 0.011 17598 3598 1 8 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.221 -0.233 17598 3599 1 8 . 1 1 41 41 GLN H H 41 8.399 8.399 8.490 -0.091 17598 3600 1 8 . 1 1 42 42 GLY N N 42 108.502 108.502 106.220 2.282 17598 3601 1 8 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.632 -0.061 17598 3602 1 8 . 1 1 42 42 GLY H H 42 7.892 7.892 7.940 -0.048 17598 3603 1 8 . 1 1 43 43 THR N N 43 116.344 116.344 116.685 -0.341 17598 3604 1 8 . 1 1 43 43 THR HA H 43 3.749 3.749 4.844 -1.095 17598 3605 1 8 . 1 1 43 43 THR CA C 43 69.834 69.834 61.791 8.043 17598 3606 1 8 . 1 1 43 43 THR CB C 43 70.316 70.316 70.025 0.291 17598 3607 1 8 . 1 1 43 43 THR H H 43 7.762 7.762 7.759 0.003 17598 3608 1 8 . 1 1 44 44 PHE N N 44 123.688 123.688 123.582 0.106 17598 3609 1 8 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.713 0.393 17598 3610 1 8 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.486 -0.939 17598 3611 1 8 . 1 1 44 44 PHE CB C 44 41.905 41.905 43.131 -1.226 17598 3612 1 8 . 1 1 44 44 PHE H H 44 9.283 9.283 9.185 0.098 17598 3613 1 8 . 1 1 45 45 ALA N N 45 122.438 122.438 122.655 -0.217 17598 3614 1 8 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.868 0.083 17598 3615 1 8 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.556 -0.446 17598 3616 1 8 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.819 -0.182 17598 3617 1 8 . 1 1 45 45 ALA H H 45 9.579 9.579 9.200 0.379 17598 3618 1 8 . 1 1 46 46 LEU N N 46 121.500 121.500 124.296 -2.796 17598 3619 1 8 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.273 -0.130 17598 3620 1 8 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.703 -0.721 17598 3621 1 8 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.122 -0.704 17598 3622 1 8 . 1 1 46 46 LEU H H 46 8.472 8.472 8.822 -0.350 17598 3623 1 8 . 1 1 47 47 VAL N N 47 122.125 122.125 122.933 -0.808 17598 3624 1 8 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.550 0.365 17598 3625 1 8 . 1 1 47 47 VAL CA C 47 59.423 59.423 58.951 0.472 17598 3626 1 8 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.392 -0.564 17598 3627 1 8 . 1 1 47 47 VAL H H 47 9.175 9.175 8.902 0.273 17598 3628 1 8 . 1 1 48 48 LYS N N 48 129.000 129.000 124.240 4.760 17598 3629 1 8 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.890 0.308 17598 3630 1 8 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.157 0.569 17598 3631 1 8 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.644 -0.611 17598 3632 1 8 . 1 1 48 48 LYS H H 48 9.675 9.675 8.170 1.505 17598 3633 1 8 . 1 1 49 49 GLY N N 49 113.844 113.844 109.984 3.860 17598 3634 1 8 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.758 -0.882 17598 3635 1 8 . 1 1 49 49 GLY H H 49 8.792 8.792 8.510 0.282 17598 3636 1 8 . 1 1 50 50 ALA N N 50 123.844 123.844 120.787 3.057 17598 3637 1 8 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.376 0.076 17598 3638 1 8 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.883 0.099 17598 3639 1 8 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.847 0.103 17598 3640 1 8 . 1 1 50 50 ALA H H 50 8.963 8.963 8.400 0.563 17598 3641 1 8 . 1 1 51 51 GLY N N 51 105.406 105.406 103.358 2.048 17598 3642 1 8 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.276 0.268 17598 3643 1 8 . 1 1 51 51 GLY H H 51 8.582 8.582 8.247 0.335 17598 3644 1 8 . 1 1 52 52 GLY N N 52 108.644 108.644 106.349 2.295 17598 3645 1 8 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.877 0.272 17598 3646 1 8 . 1 1 52 52 GLY H H 52 7.692 7.692 7.876 -0.184 17598 3647 1 8 . 1 1 53 53 VAL N N 53 121.656 121.656 116.975 4.681 17598 3648 1 8 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.797 -0.210 17598 3649 1 8 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.073 1.672 17598 3650 1 8 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.026 -1.059 17598 3651 1 8 . 1 1 53 53 VAL H H 53 7.928 7.928 8.276 -0.348 17598 3652 1 8 . 1 1 54 54 HIS N N 54 128.219 128.219 124.560 3.659 17598 3653 1 8 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.933 -0.310 17598 3654 1 8 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.954 0.912 17598 3655 1 8 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.490 1.813 17598 3656 1 8 . 1 1 54 54 HIS H H 54 9.188 9.188 8.805 0.383 17598 3657 1 8 . 1 1 55 55 ARG N N 55 122.125 122.125 125.440 -3.315 17598 3658 1 8 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.199 -0.172 17598 3659 1 8 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.387 -0.103 17598 3660 1 8 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.211 -0.454 17598 3661 1 8 . 1 1 55 55 ARG H H 55 8.816 8.816 8.714 0.102 17598 3662 1 8 . 1 1 56 56 VAL N N 56 124.229 124.229 120.064 4.165 17598 3663 1 8 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.962 -0.254 17598 3664 1 8 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.503 1.179 17598 3665 1 8 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.277 0.190 17598 3666 1 8 . 1 1 56 56 VAL H H 56 9.444 9.444 8.943 0.501 17598 3667 1 8 . 1 1 57 57 ARG N N 57 124.554 124.554 122.345 2.209 17598 3668 1 8 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.665 0.158 17598 3669 1 8 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.710 -0.386 17598 3670 1 8 . 1 1 57 57 ARG CB C 57 33.985 33.985 31.885 2.100 17598 3671 1 8 . 1 1 57 57 ARG H H 57 9.124 9.124 8.009 1.115 17598 3672 1 8 . 1 1 58 58 VAL N N 58 120.250 120.250 120.718 -0.468 17598 3673 1 8 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.627 -0.272 17598 3674 1 8 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.157 0.289 17598 3675 1 8 . 1 1 58 58 VAL CB C 58 30.932 30.932 29.890 1.042 17598 3676 1 8 . 1 1 58 58 VAL H H 58 8.327 8.327 8.468 -0.141 17598 3677 1 8 . 1 1 59 59 GLY N N 59 117.437 117.437 116.850 0.587 17598 3678 1 8 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.542 0.033 17598 3679 1 8 . 1 1 59 59 GLY H H 59 9.097 9.097 8.692 0.405 17598 3680 1 8 . 1 1 60 60 ASP N N 60 121.031 121.031 122.325 -1.294 17598 3681 1 8 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.603 0.348 17598 3682 1 8 . 1 1 60 60 ASP CA C 60 54.342 54.342 54.617 -0.275 17598 3683 1 8 . 1 1 60 60 ASP CB C 60 41.758 41.758 42.004 -0.246 17598 3684 1 8 . 1 1 60 60 ASP H H 60 7.800 7.800 8.079 -0.279 17598 3685 1 8 . 1 1 61 61 TYR N N 61 115.406 115.406 115.456 -0.050 17598 3686 1 8 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.306 0.284 17598 3687 1 8 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.721 0.071 17598 3688 1 8 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.123 0.447 17598 3689 1 8 . 1 1 61 61 TYR H H 61 7.834 7.834 8.299 -0.465 17598 3690 1 8 . 1 1 62 62 LEU N N 62 117.750 117.750 116.264 1.486 17598 3691 1 8 . 1 1 62 62 LEU HA H 62 4.301 4.301 5.034 -0.733 17598 3692 1 8 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.029 -0.031 17598 3693 1 8 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.237 1.533 17598 3694 1 8 . 1 1 62 62 LEU H H 62 9.362 9.362 8.549 0.813 17598 3695 1 8 . 1 1 63 63 GLY N N 63 107.303 107.303 106.791 0.512 17598 3696 1 8 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.054 -0.766 17598 3697 1 8 . 1 1 63 63 GLY H H 63 7.945 7.945 8.249 -0.304 17598 3698 1 8 . 1 1 64 64 ARG N N 64 113.687 113.687 120.432 -6.745 17598 3699 1 8 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.136 0.305 17598 3700 1 8 . 1 1 64 64 ARG CA C 64 57.269 57.269 58.294 -1.026 17598 3701 1 8 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.572 0.174 17598 3702 1 8 . 1 1 64 64 ARG H H 64 8.424 8.424 8.353 0.071 17598 3703 1 8 . 1 1 65 65 ASN N N 65 121.626 121.626 114.981 6.645 17598 3704 1 8 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.771 0.728 17598 3705 1 8 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.750 0.606 17598 3706 1 8 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.532 0.984 17598 3707 1 8 . 1 1 65 65 ASN H H 65 9.529 9.529 8.088 1.441 17598 3708 1 8 . 1 1 66 66 ASP N N 66 116.656 116.656 117.336 -0.680 17598 3709 1 8 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.283 -0.384 17598 3710 1 8 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.474 -0.686 17598 3711 1 8 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.987 0.433 17598 3712 1 8 . 1 1 66 66 ASP H H 66 9.397 9.397 7.858 1.539 17598 3713 1 8 . 1 1 67 67 GLY N N 67 100.587 100.587 106.257 -5.670 17598 3714 1 8 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.364 2.647 17598 3715 1 8 . 1 1 67 67 GLY H H 67 7.424 7.424 8.271 -0.847 17598 3716 1 8 . 1 1 68 68 LYS N N 68 130.952 130.952 128.161 2.791 17598 3717 1 8 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.779 -0.931 17598 3718 1 8 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.309 -0.330 17598 3719 1 8 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.527 -0.070 17598 3720 1 8 . 1 1 68 68 LYS H H 68 8.121 8.121 8.684 -0.563 17598 3721 1 8 . 1 1 69 69 VAL N N 69 126.813 126.813 127.575 -0.762 17598 3722 1 8 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.816 0.296 17598 3723 1 8 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.369 -1.086 17598 3724 1 8 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.222 -0.488 17598 3725 1 8 . 1 1 69 69 VAL H H 69 9.113 9.113 8.484 0.629 17598 3726 1 8 . 1 1 70 70 VAL N N 70 122.594 122.594 124.814 -2.220 17598 3727 1 8 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.581 0.024 17598 3728 1 8 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.477 -0.580 17598 3729 1 8 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.540 -0.897 17598 3730 1 8 . 1 1 70 70 VAL H H 70 8.968 8.968 8.643 0.325 17598 3731 1 8 . 1 1 71 71 GLY N N 71 110.562 110.562 109.473 1.089 17598 3732 1 8 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.385 1.814 17598 3733 1 8 . 1 1 71 71 GLY H H 71 7.638 7.638 8.118 -0.480 17598 3734 1 8 . 1 1 72 72 ILE N N 72 123.063 123.063 122.722 0.341 17598 3735 1 8 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.222 0.237 17598 3736 1 8 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.709 0.666 17598 3737 1 8 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.733 2.648 17598 3738 1 8 . 1 1 72 72 ILE H H 72 8.404 8.404 8.412 -0.008 17598 3739 1 8 . 1 1 73 73 SER N N 73 123.531 123.531 122.697 0.834 17598 3740 1 8 . 1 1 73 73 SER HA H 73 4.723 4.723 4.809 -0.086 17598 3741 1 8 . 1 1 73 73 SER CA C 73 56.220 56.220 56.818 -0.598 17598 3742 1 8 . 1 1 73 73 SER CB C 73 65.450 65.450 64.743 0.707 17598 3743 1 8 . 1 1 73 73 SER H H 73 8.801 8.801 8.630 0.171 17598 3744 1 8 . 1 1 74 74 GLU N N 74 116.656 116.656 117.838 -1.182 17598 3745 1 8 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.338 -0.034 17598 3746 1 8 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.781 -1.050 17598 3747 1 8 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.461 -1.359 17598 3748 1 8 . 1 1 74 74 GLU H H 74 8.537 8.537 8.610 -0.073 17598 3749 1 8 . 1 1 75 75 GLY N N 75 102.989 102.989 105.905 -2.916 17598 3750 1 8 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.091 -0.073 17598 3751 1 8 . 1 1 75 75 GLY H H 75 8.124 8.124 8.076 0.048 17598 3752 1 8 . 1 1 76 76 LYS N N 76 120.094 120.094 117.523 2.571 17598 3753 1 8 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.087 0.174 17598 3754 1 8 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.362 1.238 17598 3755 1 8 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.957 0.454 17598 3756 1 8 . 1 1 76 76 LYS H H 76 7.546 7.546 7.546 -0.000 17598 3757 1 8 . 1 1 77 77 ILE N N 77 121.344 121.344 120.526 0.818 17598 3758 1 8 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.588 -0.038 17598 3759 1 8 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.730 1.117 17598 3760 1 8 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.478 1.138 17598 3761 1 8 . 1 1 77 77 ILE H H 77 8.776 8.776 8.597 0.179 17598 3762 1 8 . 1 1 78 78 ASP N N 78 126.813 126.813 129.538 -2.725 17598 3763 1 8 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.097 0.104 17598 3764 1 8 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.843 -0.723 17598 3765 1 8 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.770 1.182 17598 3766 1 8 . 1 1 78 78 ASP H H 78 8.964 8.964 8.472 0.492 17598 3767 1 8 . 1 1 79 79 VAL N N 79 124.156 124.156 118.643 5.513 17598 3768 1 8 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.082 0.097 17598 3769 1 8 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.678 -0.404 17598 3770 1 8 . 1 1 79 79 VAL CB C 79 36.079 36.079 35.966 0.113 17598 3771 1 8 . 1 1 79 79 VAL H H 79 9.060 9.060 9.134 -0.074 17598 3772 1 8 . 1 1 80 80 ILE N N 80 126.656 126.656 123.756 2.900 17598 3773 1 8 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.348 0.147 17598 3774 1 8 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.611 1.572 17598 3775 1 8 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.226 2.061 17598 3776 1 8 . 1 1 80 80 ILE H H 80 8.812 8.812 9.016 -0.204 17598 3777 1 8 . 1 1 81 81 GLU N N 81 126.656 126.656 128.533 -1.877 17598 3778 1 8 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.863 -0.241 17598 3779 1 8 . 1 1 81 81 GLU CA C 81 55.074 55.074 55.243 -0.169 17598 3780 1 8 . 1 1 81 81 GLU CB C 81 32.643 32.643 32.642 0.000 17598 3781 1 8 . 1 1 81 81 GLU H H 81 8.283 8.283 8.576 -0.293 17598 3782 1 8 . 1 1 82 82 ILE N N 82 120.094 120.094 122.727 -2.633 17598 3783 1 8 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.944 0.089 17598 3784 1 8 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.988 1.240 17598 3785 1 8 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.966 1.072 17598 3786 1 8 . 1 1 82 82 ILE H H 82 8.252 8.252 8.652 -0.400 17598 3787 1 8 . 1 1 83 83 VAL N N 83 120.094 120.094 120.425 -0.331 17598 3788 1 8 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.055 0.167 17598 3789 1 8 . 1 1 83 83 VAL CA C 83 57.223 57.223 58.471 -1.248 17598 3790 1 8 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.539 -0.946 17598 3791 1 8 . 1 1 83 83 VAL H H 83 9.201 9.201 8.977 0.224 17598 3792 1 8 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.983 0.392 17598 3793 1 8 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.877 -0.834 17598 3794 1 8 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.042 -0.185 17598 3795 1 8 . 1 1 85 85 ASP N N 85 120.250 120.250 121.606 -1.356 17598 3796 1 8 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.576 -0.071 17598 3797 1 8 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.000 -1.503 17598 3798 1 8 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.922 -0.688 17598 3799 1 8 . 1 1 85 85 ASP H H 85 8.083 8.083 8.395 -0.312 17598 3800 1 8 . 1 1 86 86 GLY N N 86 109.156 109.156 106.931 2.225 17598 3801 1 8 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.191 -0.140 17598 3802 1 8 . 1 1 86 86 GLY H H 86 8.160 8.160 8.193 -0.033 17598 3803 1 8 . 1 1 87 87 GLU N N 87 120.719 120.719 121.016 -0.297 17598 3804 1 8 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.418 0.023 17598 3805 1 8 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.268 -1.289 17598 3806 1 8 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.357 -0.195 17598 3807 1 8 . 1 1 87 87 GLU H H 87 8.663 8.663 8.596 0.067 17598 3808 1 8 . 1 1 88 88 GLY N N 88 109.312 109.312 107.028 2.284 17598 3809 1 8 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.568 0.197 17598 3810 1 8 . 1 1 88 88 GLY H H 88 8.417 8.417 8.026 0.391 17598 3811 1 8 . 1 1 89 89 ASN N N 89 119.625 119.625 118.196 1.429 17598 3812 1 8 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.948 0.049 17598 3813 1 8 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.341 -1.371 17598 3814 1 8 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.947 0.141 17598 3815 1 8 . 1 1 89 89 ASN H H 89 8.331 8.331 8.035 0.296 17598 3816 1 8 . 1 1 90 90 TRP N N 90 121.188 121.188 118.616 2.572 17598 3817 1 8 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.136 0.025 17598 3818 1 8 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.851 -0.081 17598 3819 1 8 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.427 0.834 17598 3820 1 8 . 1 1 90 90 TRP H H 90 8.538 8.538 8.390 0.148 17598 3821 1 8 . 1 1 91 91 LEU N N 91 121.031 121.031 119.630 1.401 17598 3822 1 8 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.881 -0.066 17598 3823 1 8 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.983 0.373 17598 3824 1 8 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.587 -1.343 17598 3825 1 8 . 1 1 91 91 LEU H H 91 9.518 9.518 9.159 0.359 17598 3826 1 8 . 1 1 92 92 GLU N N 92 119.156 119.156 120.210 -1.054 17598 3827 1 8 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.803 0.249 17598 3828 1 8 . 1 1 92 92 GLU CA C 92 55.360 55.360 55.650 -0.290 17598 3829 1 8 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.890 0.512 17598 3830 1 8 . 1 1 92 92 GLU H H 92 8.490 8.490 8.626 -0.136 17598 3831 1 8 . 1 1 93 93 ARG N N 93 124.938 124.938 121.736 3.202 17598 3832 1 8 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.877 0.187 17598 3833 1 8 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.966 -0.272 17598 3834 1 8 . 1 1 93 93 ARG CB C 93 34.161 34.161 33.277 0.884 17598 3835 1 8 . 1 1 93 93 ARG H H 93 9.283 9.283 8.665 0.619 17598 3836 1 8 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.826 0.417 17598 3837 1 8 . 1 1 94 94 PRO CA C 94 62.253 62.253 63.049 -0.796 17598 3838 1 8 . 1 1 94 94 PRO CB C 94 32.574 32.574 32.016 0.558 17598 3839 1 8 . 1 1 95 95 ARG N N 95 120.416 120.416 123.896 -3.480 17598 3840 1 8 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.985 -0.289 17598 3841 1 8 . 1 1 95 95 ARG CA C 95 54.623 54.623 53.594 1.029 17598 3842 1 8 . 1 1 95 95 ARG CB C 95 33.392 33.392 35.343 -1.951 17598 3843 1 8 . 1 1 95 95 ARG H H 95 9.115 9.115 8.817 0.298 17598 3844 1 8 . 1 1 96 96 SER N N 96 115.719 115.719 117.293 -1.574 17598 3845 1 8 . 1 1 96 96 SER HA H 96 5.781 5.781 5.318 0.463 17598 3846 1 8 . 1 1 96 96 SER CA C 96 56.824 56.824 56.944 -0.120 17598 3847 1 8 . 1 1 96 96 SER CB C 96 65.906 65.906 64.177 1.729 17598 3848 1 8 . 1 1 96 96 SER H H 96 8.676 8.676 8.571 0.105 17598 3849 1 8 . 1 1 97 97 LEU N N 97 126.188 126.188 127.566 -1.378 17598 3850 1 8 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.805 0.068 17598 3851 1 8 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.742 1.292 17598 3852 1 8 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.463 1.468 17598 3853 1 8 . 1 1 97 97 LEU H H 97 9.030 9.030 9.009 0.021 17598 3854 1 8 . 1 1 98 98 THR N N 98 113.687 113.687 114.532 -0.845 17598 3855 1 8 . 1 1 98 98 THR HA H 98 4.869 4.869 4.547 0.322 17598 3856 1 8 . 1 1 98 98 THR CA C 98 60.265 60.265 61.438 -1.173 17598 3857 1 8 . 1 1 98 98 THR CB C 98 70.650 70.650 70.222 0.427 17598 3858 1 8 . 1 1 98 98 THR H H 98 8.410 8.410 8.310 0.100 17598 3859 1 8 . 1 1 99 99 LEU N N 99 126.344 126.344 123.382 2.962 17598 3860 1 8 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.176 -0.091 17598 3861 1 8 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.203 -0.432 17598 3862 1 8 . 1 1 99 99 LEU CB C 99 43.053 43.053 43.119 -0.066 17598 3863 1 8 . 1 1 99 99 LEU H H 99 7.806 7.806 8.122 -0.316 17598 3864 1 8 . 1 1 100 100 LYS N N 100 128.063 128.063 124.297 3.766 17598 3865 1 8 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.065 0.330 17598 3866 1 8 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.155 -1.240 17598 3867 1 8 . 1 1 100 100 LYS CB C 100 33.060 33.060 31.971 1.089 17598 3868 1 8 . 1 1 100 100 LYS H H 100 8.816 8.816 8.601 0.215 17598 3869 1 8 . 1 1 101 101 GLU N N 101 123.531 123.531 125.079 -1.548 17598 3870 1 8 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.534 -0.545 17598 3871 1 8 . 1 1 101 101 GLU CA C 101 55.970 55.970 54.753 1.217 17598 3872 1 8 . 1 1 101 101 GLU CB C 101 30.589 30.589 31.783 -1.194 17598 3873 1 8 . 1 1 101 101 GLU H H 101 8.323 8.323 8.499 -0.176 17598 3874 1 8 . 1 1 102 102 ARG N N 102 122.965 122.965 119.685 3.280 17598 3875 1 8 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.151 0.216 17598 3876 1 8 . 1 1 102 102 ARG CA C 102 55.774 55.774 57.077 -1.302 17598 3877 1 8 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.362 0.197 17598 3878 1 8 . 1 1 102 102 ARG H H 102 8.414 8.414 8.684 -0.270 17598 3879 1 8 . 1 1 103 103 SER N N 103 117.435 117.435 111.639 5.796 17598 3880 1 8 . 1 1 103 103 SER HA H 103 4.431 4.431 4.237 0.194 17598 3881 1 8 . 1 1 103 103 SER CA C 103 58.079 58.079 58.433 -0.354 17598 3882 1 8 . 1 1 103 103 SER CB C 103 63.554 63.554 63.331 0.223 17598 3883 1 8 . 1 1 103 103 SER H H 103 8.423 8.423 8.392 0.031 17598 3884 1 8 . 1 1 104 104 LEU N N 104 124.423 124.423 120.621 3.802 17598 3885 1 8 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.410 -0.086 17598 3886 1 8 . 1 1 104 104 LEU CA C 104 55.124 55.124 56.354 -1.230 17598 3887 1 8 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.600 -0.611 17598 3888 1 8 . 1 1 104 104 LEU H H 104 8.369 8.369 7.885 0.484 17598 3889 1 8 . 1 1 105 105 GLU N N 105 120.875 120.875 119.381 1.494 17598 3890 1 8 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.392 -0.378 17598 3891 1 8 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.168 2.777 17598 3892 1 8 . 1 1 105 105 GLU CB C 105 29.846 29.846 27.460 2.385 17598 3893 1 8 . 1 1 105 105 GLU H H 105 8.249 8.249 8.623 -0.374 17598 3894 1 8 . 1 1 106 106 HIS N N 106 120.719 120.719 122.659 -1.940 17598 3895 1 8 . 1 1 106 106 HIS CA C 106 56.608 56.608 56.822 -0.214 17598 3896 1 8 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.323 3.125 17598 3897 1 8 . 1 1 106 106 HIS H H 106 8.274 8.274 8.366 -0.092 17598 3898 1 8 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.595 -0.009 17598 3899 1 8 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.638 0.166 17598 3900 1 8 . 1 1 107 107 HIS CB C 107 30.424 30.424 32.725 -2.301 17598 3901 1 8 . 1 1 108 108 HIS N N 108 125.843 125.843 120.359 5.484 17598 3902 1 8 . 1 1 108 108 HIS CA C 108 57.105 57.105 56.527 0.578 17598 3903 1 8 . 1 1 108 108 HIS CB C 108 30.424 30.424 28.615 1.809 17598 3904 1 8 . 1 1 108 108 HIS H H 108 7.941 7.941 8.158 -0.217 17598 3905 1 9 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.478 -0.103 17598 3906 1 9 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.662 0.688 17598 3907 1 9 . 1 1 2 2 LEU CB C 2 42.048 42.048 41.715 0.333 17598 3908 1 9 . 1 1 3 3 THR N N 3 114.937 114.937 116.171 -1.234 17598 3909 1 9 . 1 1 3 3 THR HA H 3 4.205 4.205 4.160 0.045 17598 3910 1 9 . 1 1 3 3 THR CA C 3 62.493 62.493 61.854 0.639 17598 3911 1 9 . 1 1 3 3 THR CB C 3 69.391 69.391 69.170 0.221 17598 3912 1 9 . 1 1 3 3 THR H H 3 8.316 8.316 7.851 0.465 17598 3913 1 9 . 1 1 4 4 VAL N N 4 122.438 122.438 121.556 0.882 17598 3914 1 9 . 1 1 4 4 VAL HA H 4 4.068 4.068 3.902 0.166 17598 3915 1 9 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.792 -0.299 17598 3916 1 9 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.664 -0.306 17598 3917 1 9 . 1 1 4 4 VAL H H 4 7.953 7.953 8.089 -0.136 17598 3918 1 9 . 1 1 5 5 ARG N N 5 124.781 124.781 123.595 1.186 17598 3919 1 9 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.290 0.060 17598 3920 1 9 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.598 -0.756 17598 3921 1 9 . 1 1 5 5 ARG CB C 5 30.643 30.643 28.863 1.780 17598 3922 1 9 . 1 1 5 5 ARG H H 5 8.319 8.319 8.664 -0.345 17598 3923 1 9 . 1 1 6 6 GLN N N 6 121.656 121.656 122.785 -1.129 17598 3924 1 9 . 1 1 6 6 GLN CA C 6 55.842 55.842 54.919 0.923 17598 3925 1 9 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.979 -1.790 17598 3926 1 9 . 1 1 6 6 GLN H H 6 8.373 8.373 7.987 0.386 17598 3927 1 9 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.577 -0.768 17598 3928 1 9 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.294 -1.462 17598 3929 1 9 . 1 1 7 7 LYS CB C 7 30.063 30.063 32.314 -2.251 17598 3930 1 9 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.205 -0.475 17598 3931 1 9 . 1 1 8 8 GLY H H 8 8.407 8.407 8.475 -0.068 17598 3932 1 9 . 1 1 9 9 ASN N N 9 118.812 118.812 121.601 -2.789 17598 3933 1 9 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.562 0.154 17598 3934 1 9 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.263 -0.380 17598 3935 1 9 . 1 1 9 9 ASN CB C 9 38.892 38.892 38.230 0.662 17598 3936 1 9 . 1 1 9 9 ASN H H 9 8.337 8.337 8.401 -0.064 17598 3937 1 9 . 1 1 10 10 LYS N N 10 122.131 122.131 124.618 -2.487 17598 3938 1 9 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.078 0.254 17598 3939 1 9 . 1 1 10 10 LYS CA C 10 55.970 55.970 57.301 -1.331 17598 3940 1 9 . 1 1 10 10 LYS CB C 10 32.574 32.574 32.812 -0.238 17598 3941 1 9 . 1 1 10 10 LYS H H 10 8.253 8.253 8.183 0.070 17598 3942 1 9 . 1 1 11 11 VAL N N 11 123.026 123.026 127.034 -4.008 17598 3943 1 9 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.390 -0.254 17598 3944 1 9 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.111 1.894 17598 3945 1 9 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.284 -1.462 17598 3946 1 9 . 1 1 11 11 VAL H H 11 8.428 8.428 8.209 0.219 17598 3947 1 9 . 1 1 12 12 ILE N N 12 127.174 127.174 122.855 4.319 17598 3948 1 9 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.320 -0.216 17598 3949 1 9 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.390 -0.388 17598 3950 1 9 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.052 -0.319 17598 3951 1 9 . 1 1 12 12 ILE H H 12 8.345 8.345 8.321 0.024 17598 3952 1 9 . 1 1 13 13 LYS N N 13 122.906 122.906 126.531 -3.625 17598 3953 1 9 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.102 -0.285 17598 3954 1 9 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.996 -1.039 17598 3955 1 9 . 1 1 13 13 LYS CB C 13 32.517 32.517 31.684 0.833 17598 3956 1 9 . 1 1 13 13 LYS H H 13 7.662 7.662 8.457 -0.795 17598 3957 1 9 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.177 -0.252 17598 3958 1 9 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.958 -0.421 17598 3959 1 9 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.979 -0.386 17598 3960 1 9 . 1 1 15 15 ASP N N 15 121.969 121.969 119.464 2.505 17598 3961 1 9 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.685 -0.162 17598 3962 1 9 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.022 0.952 17598 3963 1 9 . 1 1 15 15 ASP CB C 15 40.470 40.470 43.401 -2.931 17598 3964 1 9 . 1 1 15 15 ASP H H 15 8.607 8.607 7.917 0.690 17598 3965 1 9 . 1 1 16 16 GLU N N 16 126.813 126.813 121.583 5.230 17598 3966 1 9 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.132 0.060 17598 3967 1 9 . 1 1 16 16 GLU CA C 16 57.651 57.651 58.495 -0.844 17598 3968 1 9 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.634 -0.427 17598 3969 1 9 . 1 1 16 16 GLU H H 16 9.032 9.032 8.679 0.353 17598 3970 1 9 . 1 1 17 17 THR N N 17 110.875 110.875 111.976 -1.101 17598 3971 1 9 . 1 1 17 17 THR HA H 17 4.313 4.313 4.114 0.200 17598 3972 1 9 . 1 1 17 17 THR CA C 17 61.660 61.660 63.219 -1.559 17598 3973 1 9 . 1 1 17 17 THR CB C 17 69.392 69.392 68.967 0.425 17598 3974 1 9 . 1 1 17 17 THR H H 17 8.453 8.453 8.002 0.451 17598 3975 1 9 . 1 1 18 18 ARG N N 18 124.313 124.313 120.081 4.232 17598 3976 1 9 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.117 -0.010 17598 3977 1 9 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.231 -0.298 17598 3978 1 9 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.779 0.242 17598 3979 1 9 . 1 1 18 18 ARG H H 18 6.969 6.969 7.188 -0.219 17598 3980 1 9 . 1 1 19 19 VAL N N 19 127.750 127.750 118.706 9.044 17598 3981 1 9 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.990 -0.197 17598 3982 1 9 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.090 -0.560 17598 3983 1 9 . 1 1 19 19 VAL CB C 19 31.021 31.021 31.648 -0.627 17598 3984 1 9 . 1 1 19 19 VAL H H 19 8.494 8.494 8.251 0.243 17598 3985 1 9 . 1 1 20 20 LYS N N 20 129.005 129.005 126.433 2.572 17598 3986 1 9 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.486 -0.404 17598 3987 1 9 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.752 2.045 17598 3988 1 9 . 1 1 20 20 LYS CB C 20 33.025 33.025 30.714 2.311 17598 3989 1 9 . 1 1 20 20 LYS H H 20 8.406 8.406 8.364 0.042 17598 3990 1 9 . 1 1 21 21 GLN N N 21 122.125 122.125 120.872 1.253 17598 3991 1 9 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.253 0.178 17598 3992 1 9 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.020 0.677 17598 3993 1 9 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.419 -0.211 17598 3994 1 9 . 1 1 21 21 GLN H H 21 9.783 9.783 8.298 1.485 17598 3995 1 9 . 1 1 22 22 PHE N N 22 126.785 126.785 119.145 7.640 17598 3996 1 9 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.346 -0.054 17598 3997 1 9 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.809 1.097 17598 3998 1 9 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.360 -0.255 17598 3999 1 9 . 1 1 22 22 PHE H H 22 9.214 9.214 8.712 0.502 17598 4000 1 9 . 1 1 23 23 LEU N N 23 115.846 115.846 116.674 -0.828 17598 4001 1 9 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.117 0.003 17598 4002 1 9 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.767 -0.409 17598 4003 1 9 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.696 -0.599 17598 4004 1 9 . 1 1 23 23 LEU H H 23 9.173 9.173 8.344 0.829 17598 4005 1 9 . 1 1 24 24 GLU N N 24 117.032 117.032 118.512 -1.480 17598 4006 1 9 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.287 0.524 17598 4007 1 9 . 1 1 24 24 GLU CA C 24 56.655 56.655 59.079 -2.424 17598 4008 1 9 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.981 0.317 17598 4009 1 9 . 1 1 24 24 GLU H H 24 7.789 7.789 8.428 -0.639 17598 4010 1 9 . 1 1 25 25 GLY N N 25 105.050 105.050 105.351 -0.301 17598 4011 1 9 . 1 1 25 25 GLY CA C 25 44.407 44.407 45.163 -0.756 17598 4012 1 9 . 1 1 25 25 GLY H H 25 7.640 7.640 7.465 0.175 17598 4013 1 9 . 1 1 26 26 PHE N N 26 115.467 115.467 117.796 -2.329 17598 4014 1 9 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.659 -0.155 17598 4015 1 9 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.773 -0.246 17598 4016 1 9 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.241 1.876 17598 4017 1 9 . 1 1 26 26 PHE H H 26 6.508 6.508 7.823 -1.315 17598 4018 1 9 . 1 1 27 27 ASN N N 27 118.006 118.006 117.946 0.060 17598 4019 1 9 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.400 0.088 17598 4020 1 9 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.634 -1.605 17598 4021 1 9 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.715 -0.998 17598 4022 1 9 . 1 1 27 27 ASN H H 27 8.788 8.788 8.526 0.262 17598 4023 1 9 . 1 1 28 28 ILE N N 28 129.126 129.126 121.330 7.796 17598 4024 1 9 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.939 -0.251 17598 4025 1 9 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.684 2.223 17598 4026 1 9 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.695 0.348 17598 4027 1 9 . 1 1 28 28 ILE H H 28 9.557 9.557 8.158 1.399 17598 4028 1 9 . 1 1 29 29 GLU N N 29 120.068 120.068 119.344 0.724 17598 4029 1 9 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.035 0.194 17598 4030 1 9 . 1 1 29 29 GLU CA C 29 58.347 58.347 59.005 -0.658 17598 4031 1 9 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.962 -0.833 17598 4032 1 9 . 1 1 29 29 GLU H H 29 9.064 9.064 8.610 0.454 17598 4033 1 9 . 1 1 30 30 THR N N 30 109.404 109.404 111.391 -1.987 17598 4034 1 9 . 1 1 30 30 THR HA H 30 4.303 4.303 4.095 0.208 17598 4035 1 9 . 1 1 30 30 THR CA C 30 62.079 62.079 63.709 -1.630 17598 4036 1 9 . 1 1 30 30 THR CB C 30 69.583 69.583 68.364 1.219 17598 4037 1 9 . 1 1 30 30 THR H H 30 7.789 7.789 8.050 -0.261 17598 4038 1 9 . 1 1 31 31 PHE N N 31 120.250 120.250 121.179 -0.929 17598 4039 1 9 . 1 1 31 31 PHE HA H 31 5.426 5.426 5.004 0.422 17598 4040 1 9 . 1 1 31 31 PHE CA C 31 55.456 55.456 56.020 -0.564 17598 4041 1 9 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.175 -0.181 17598 4042 1 9 . 1 1 31 31 PHE H H 31 7.236 7.236 6.952 0.284 17598 4043 1 9 . 1 1 32 32 GLU N N 32 118.531 118.531 118.687 -0.156 17598 4044 1 9 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.666 0.121 17598 4045 1 9 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.158 -1.229 17598 4046 1 9 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.968 -0.275 17598 4047 1 9 . 1 1 32 32 GLU H H 32 8.644 8.644 8.419 0.225 17598 4048 1 9 . 1 1 33 33 MET N N 33 127.438 127.438 126.737 0.701 17598 4049 1 9 . 1 1 33 33 MET HA H 33 4.643 4.643 4.379 0.264 17598 4050 1 9 . 1 1 33 33 MET CA C 33 56.411 56.411 57.299 -0.888 17598 4051 1 9 . 1 1 33 33 MET CB C 33 32.050 32.050 32.812 -0.762 17598 4052 1 9 . 1 1 33 33 MET H H 33 9.679 9.679 9.131 0.548 17598 4053 1 9 . 1 1 34 34 VAL N N 34 119.176 119.176 126.272 -7.096 17598 4054 1 9 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.102 0.672 17598 4055 1 9 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.625 -0.629 17598 4056 1 9 . 1 1 34 34 VAL CB C 34 32.849 32.849 32.649 0.200 17598 4057 1 9 . 1 1 34 34 VAL H H 34 8.897 8.897 8.644 0.253 17598 4058 1 9 . 1 1 35 35 GLY N N 35 108.249 108.249 105.955 2.294 17598 4059 1 9 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.379 -0.195 17598 4060 1 9 . 1 1 35 35 GLY H H 35 7.589 7.589 7.857 -0.268 17598 4061 1 9 . 1 1 36 36 THR N N 36 110.562 110.562 113.325 -2.763 17598 4062 1 9 . 1 1 36 36 THR HA H 36 5.088 5.088 4.592 0.496 17598 4063 1 9 . 1 1 36 36 THR CA C 36 60.060 60.060 61.771 -1.711 17598 4064 1 9 . 1 1 36 36 THR CB C 36 72.335 72.335 71.421 0.914 17598 4065 1 9 . 1 1 36 36 THR H H 36 8.300 8.300 8.252 0.048 17598 4066 1 9 . 1 1 37 37 LEU N N 37 122.334 122.334 125.871 -3.537 17598 4067 1 9 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.826 -0.121 17598 4068 1 9 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.545 0.976 17598 4069 1 9 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.504 1.811 17598 4070 1 9 . 1 1 37 37 LEU H H 37 8.886 8.886 8.706 0.180 17598 4071 1 9 . 1 1 38 38 SER N N 38 119.156 119.156 117.473 1.683 17598 4072 1 9 . 1 1 38 38 SER HA H 38 5.489 5.489 5.378 0.111 17598 4073 1 9 . 1 1 38 38 SER CA C 38 56.819 56.819 57.858 -1.039 17598 4074 1 9 . 1 1 38 38 SER CB C 38 64.655 64.655 64.509 0.146 17598 4075 1 9 . 1 1 38 38 SER H H 38 8.694 8.694 8.498 0.196 17598 4076 1 9 . 1 1 39 39 ASN N N 39 124.156 124.156 124.441 -0.285 17598 4077 1 9 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.458 -1.654 17598 4078 1 9 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.490 -0.627 17598 4079 1 9 . 1 1 39 39 ASN H H 39 9.068 9.068 8.819 0.249 17598 4080 1 9 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.104 0.063 17598 4081 1 9 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.669 0.058 17598 4082 1 9 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.200 0.011 17598 4083 1 9 . 1 1 41 41 GLN N N 41 114.937 114.937 117.324 -2.387 17598 4084 1 9 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.283 0.067 17598 4085 1 9 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.652 0.043 17598 4086 1 9 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.666 -0.678 17598 4087 1 9 . 1 1 41 41 GLN H H 41 8.399 8.399 8.201 0.198 17598 4088 1 9 . 1 1 42 42 GLY N N 42 108.502 108.502 106.127 2.375 17598 4089 1 9 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.549 0.022 17598 4090 1 9 . 1 1 42 42 GLY H H 42 7.892 7.892 7.729 0.163 17598 4091 1 9 . 1 1 43 43 THR N N 43 116.344 116.344 117.297 -0.953 17598 4092 1 9 . 1 1 43 43 THR HA H 43 3.749 3.749 4.825 -1.076 17598 4093 1 9 . 1 1 43 43 THR CA C 43 69.834 69.834 62.175 7.659 17598 4094 1 9 . 1 1 43 43 THR CB C 43 70.316 70.316 69.218 1.098 17598 4095 1 9 . 1 1 43 43 THR H H 43 7.762 7.762 7.795 -0.033 17598 4096 1 9 . 1 1 44 44 PHE N N 44 123.688 123.688 125.469 -1.781 17598 4097 1 9 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.689 0.417 17598 4098 1 9 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.062 -0.514 17598 4099 1 9 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.353 -0.448 17598 4100 1 9 . 1 1 44 44 PHE H H 44 9.283 9.283 8.977 0.306 17598 4101 1 9 . 1 1 45 45 ALA N N 45 122.438 122.438 122.952 -0.514 17598 4102 1 9 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.852 0.099 17598 4103 1 9 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.498 -0.388 17598 4104 1 9 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.430 0.206 17598 4105 1 9 . 1 1 45 45 ALA H H 45 9.579 9.579 9.224 0.355 17598 4106 1 9 . 1 1 46 46 LEU N N 46 121.500 121.500 125.130 -3.630 17598 4107 1 9 . 1 1 46 46 LEU HA H 46 5.143 5.143 4.955 0.188 17598 4108 1 9 . 1 1 46 46 LEU CA C 46 52.982 52.982 54.153 -1.171 17598 4109 1 9 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.555 -0.137 17598 4110 1 9 . 1 1 46 46 LEU H H 46 8.472 8.472 8.697 -0.225 17598 4111 1 9 . 1 1 47 47 VAL N N 47 122.125 122.125 123.853 -1.728 17598 4112 1 9 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.686 0.229 17598 4113 1 9 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.450 -0.027 17598 4114 1 9 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.392 -1.564 17598 4115 1 9 . 1 1 47 47 VAL H H 47 9.175 9.175 9.113 0.062 17598 4116 1 9 . 1 1 48 48 LYS N N 48 129.000 129.000 123.856 5.144 17598 4117 1 9 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.065 0.133 17598 4118 1 9 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.725 1.001 17598 4119 1 9 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.743 -0.710 17598 4120 1 9 . 1 1 48 48 LYS H H 48 9.675 9.675 8.260 1.415 17598 4121 1 9 . 1 1 49 49 GLY N N 49 113.844 113.844 110.646 3.198 17598 4122 1 9 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.563 -0.688 17598 4123 1 9 . 1 1 49 49 GLY H H 49 8.792 8.792 8.112 0.680 17598 4124 1 9 . 1 1 50 50 ALA N N 50 123.844 123.844 124.054 -0.210 17598 4125 1 9 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.871 -0.419 17598 4126 1 9 . 1 1 50 50 ALA CA C 50 52.982 52.982 54.478 -1.496 17598 4127 1 9 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.706 -0.756 17598 4128 1 9 . 1 1 50 50 ALA H H 50 8.963 8.963 8.649 0.314 17598 4129 1 9 . 1 1 51 51 GLY N N 51 105.406 105.406 105.769 -0.363 17598 4130 1 9 . 1 1 51 51 GLY CA C 51 45.544 45.544 43.997 1.547 17598 4131 1 9 . 1 1 51 51 GLY H H 51 8.582 8.582 7.913 0.669 17598 4132 1 9 . 1 1 52 52 GLY N N 52 108.644 108.644 109.718 -1.074 17598 4133 1 9 . 1 1 52 52 GLY CA C 52 45.149 45.149 46.230 -1.081 17598 4134 1 9 . 1 1 52 52 GLY H H 52 7.692 7.692 8.382 -0.690 17598 4135 1 9 . 1 1 53 53 VAL N N 53 121.656 121.656 121.276 0.380 17598 4136 1 9 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.780 -0.193 17598 4137 1 9 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.721 2.024 17598 4138 1 9 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.017 -0.050 17598 4139 1 9 . 1 1 53 53 VAL H H 53 7.928 7.928 7.718 0.210 17598 4140 1 9 . 1 1 54 54 HIS N N 54 128.219 128.219 123.814 4.405 17598 4141 1 9 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.993 -0.370 17598 4142 1 9 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.859 1.007 17598 4143 1 9 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.394 1.909 17598 4144 1 9 . 1 1 54 54 HIS H H 54 9.188 9.188 8.527 0.661 17598 4145 1 9 . 1 1 55 55 ARG N N 55 122.125 122.125 123.572 -1.447 17598 4146 1 9 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.265 -0.238 17598 4147 1 9 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.996 0.288 17598 4148 1 9 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.420 -0.663 17598 4149 1 9 . 1 1 55 55 ARG H H 55 8.816 8.816 8.608 0.208 17598 4150 1 9 . 1 1 56 56 VAL N N 56 124.229 124.229 117.525 6.704 17598 4151 1 9 . 1 1 56 56 VAL HA H 56 4.708 4.708 5.049 -0.341 17598 4152 1 9 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.228 0.454 17598 4153 1 9 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.985 -0.518 17598 4154 1 9 . 1 1 56 56 VAL H H 56 9.444 9.444 8.975 0.469 17598 4155 1 9 . 1 1 57 57 ARG N N 57 124.554 124.554 121.829 2.725 17598 4156 1 9 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.737 0.086 17598 4157 1 9 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.528 -0.204 17598 4158 1 9 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.441 1.544 17598 4159 1 9 . 1 1 57 57 ARG H H 57 9.124 9.124 8.450 0.674 17598 4160 1 9 . 1 1 58 58 VAL N N 58 120.250 120.250 119.981 0.269 17598 4161 1 9 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.567 -0.212 17598 4162 1 9 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.600 0.846 17598 4163 1 9 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.008 0.924 17598 4164 1 9 . 1 1 58 58 VAL H H 58 8.327 8.327 8.398 -0.071 17598 4165 1 9 . 1 1 59 59 GLY N N 59 117.437 117.437 116.402 1.035 17598 4166 1 9 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.471 0.104 17598 4167 1 9 . 1 1 59 59 GLY H H 59 9.097 9.097 8.707 0.390 17598 4168 1 9 . 1 1 60 60 ASP N N 60 121.031 121.031 123.078 -2.047 17598 4169 1 9 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.629 0.322 17598 4170 1 9 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.050 -0.708 17598 4171 1 9 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.520 0.238 17598 4172 1 9 . 1 1 60 60 ASP H H 60 7.800 7.800 8.056 -0.256 17598 4173 1 9 . 1 1 61 61 TYR N N 61 115.406 115.406 115.870 -0.464 17598 4174 1 9 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.300 0.290 17598 4175 1 9 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.733 0.059 17598 4176 1 9 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.980 0.590 17598 4177 1 9 . 1 1 61 61 TYR H H 61 7.834 7.834 8.237 -0.403 17598 4178 1 9 . 1 1 62 62 LEU N N 62 117.750 117.750 116.241 1.509 17598 4179 1 9 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.807 -0.506 17598 4180 1 9 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.714 -0.717 17598 4181 1 9 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.810 0.960 17598 4182 1 9 . 1 1 62 62 LEU H H 62 9.362 9.362 8.793 0.569 17598 4183 1 9 . 1 1 63 63 GLY N N 63 107.303 107.303 107.303 0.000 17598 4184 1 9 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.131 -0.843 17598 4185 1 9 . 1 1 63 63 GLY H H 63 7.945 7.945 8.581 -0.636 17598 4186 1 9 . 1 1 64 64 ARG N N 64 113.687 113.687 119.976 -6.289 17598 4187 1 9 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.168 0.273 17598 4188 1 9 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.553 -0.284 17598 4189 1 9 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.624 0.122 17598 4190 1 9 . 1 1 64 64 ARG H H 64 8.424 8.424 8.308 0.116 17598 4191 1 9 . 1 1 65 65 ASN N N 65 121.626 121.626 115.470 6.156 17598 4192 1 9 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.754 0.745 17598 4193 1 9 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.695 0.661 17598 4194 1 9 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.337 1.179 17598 4195 1 9 . 1 1 65 65 ASN H H 65 9.529 9.529 7.982 1.547 17598 4196 1 9 . 1 1 66 66 ASP N N 66 116.656 116.656 119.030 -2.374 17598 4197 1 9 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.508 -0.609 17598 4198 1 9 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.284 -0.496 17598 4199 1 9 . 1 1 66 66 ASP CB C 66 39.420 39.420 40.220 -0.800 17598 4200 1 9 . 1 1 66 66 ASP H H 66 9.397 9.397 7.789 1.608 17598 4201 1 9 . 1 1 67 67 GLY N N 67 100.587 100.587 105.543 -4.956 17598 4202 1 9 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.299 2.712 17598 4203 1 9 . 1 1 67 67 GLY H H 67 7.424 7.424 8.208 -0.784 17598 4204 1 9 . 1 1 68 68 LYS N N 68 130.952 130.952 128.158 2.794 17598 4205 1 9 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.781 -0.933 17598 4206 1 9 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.989 -0.010 17598 4207 1 9 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.758 -0.301 17598 4208 1 9 . 1 1 68 68 LYS H H 68 8.121 8.121 8.424 -0.303 17598 4209 1 9 . 1 1 69 69 VAL N N 69 126.813 126.813 127.609 -0.796 17598 4210 1 9 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.789 0.323 17598 4211 1 9 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.433 -1.150 17598 4212 1 9 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.466 -0.732 17598 4213 1 9 . 1 1 69 69 VAL H H 69 9.113 9.113 8.525 0.588 17598 4214 1 9 . 1 1 70 70 VAL N N 70 122.594 122.594 123.471 -0.877 17598 4215 1 9 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.567 0.038 17598 4216 1 9 . 1 1 70 70 VAL CA C 70 60.897 60.897 62.034 -1.137 17598 4217 1 9 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.610 -0.967 17598 4218 1 9 . 1 1 70 70 VAL H H 70 8.968 8.968 8.614 0.354 17598 4219 1 9 . 1 1 71 71 GLY N N 71 110.562 110.562 109.663 0.899 17598 4220 1 9 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.418 1.781 17598 4221 1 9 . 1 1 71 71 GLY H H 71 7.638 7.638 8.118 -0.480 17598 4222 1 9 . 1 1 72 72 ILE N N 72 123.063 123.063 122.358 0.705 17598 4223 1 9 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.280 0.179 17598 4224 1 9 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.701 0.673 17598 4225 1 9 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.794 2.587 17598 4226 1 9 . 1 1 72 72 ILE H H 72 8.404 8.404 8.399 0.005 17598 4227 1 9 . 1 1 73 73 SER N N 73 123.531 123.531 122.897 0.634 17598 4228 1 9 . 1 1 73 73 SER HA H 73 4.723 4.723 4.793 -0.070 17598 4229 1 9 . 1 1 73 73 SER CA C 73 56.220 56.220 56.809 -0.588 17598 4230 1 9 . 1 1 73 73 SER CB C 73 65.450 65.450 64.430 1.020 17598 4231 1 9 . 1 1 73 73 SER H H 73 8.801 8.801 8.794 0.007 17598 4232 1 9 . 1 1 74 74 GLU N N 74 116.656 116.656 117.369 -0.713 17598 4233 1 9 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.392 -0.088 17598 4234 1 9 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.752 -1.022 17598 4235 1 9 . 1 1 74 74 GLU CB C 74 29.102 29.102 29.966 -0.865 17598 4236 1 9 . 1 1 74 74 GLU H H 74 8.537 8.537 8.475 0.062 17598 4237 1 9 . 1 1 75 75 GLY N N 75 102.989 102.989 105.828 -2.839 17598 4238 1 9 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.934 0.084 17598 4239 1 9 . 1 1 75 75 GLY H H 75 8.124 8.124 7.788 0.336 17598 4240 1 9 . 1 1 76 76 LYS N N 76 120.094 120.094 117.425 2.669 17598 4241 1 9 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.022 0.239 17598 4242 1 9 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.598 1.003 17598 4243 1 9 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.127 0.284 17598 4244 1 9 . 1 1 76 76 LYS H H 76 7.546 7.546 7.563 -0.017 17598 4245 1 9 . 1 1 77 77 ILE N N 77 121.344 121.344 121.654 -0.310 17598 4246 1 9 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.613 -0.063 17598 4247 1 9 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.315 -0.468 17598 4248 1 9 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.329 0.287 17598 4249 1 9 . 1 1 77 77 ILE H H 77 8.776 8.776 8.621 0.155 17598 4250 1 9 . 1 1 78 78 ASP N N 78 126.813 126.813 129.411 -2.598 17598 4251 1 9 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.288 -0.087 17598 4252 1 9 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.456 -0.336 17598 4253 1 9 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.546 1.406 17598 4254 1 9 . 1 1 78 78 ASP H H 78 8.964 8.964 8.386 0.578 17598 4255 1 9 . 1 1 79 79 VAL N N 79 124.156 124.156 118.026 6.130 17598 4256 1 9 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.026 0.153 17598 4257 1 9 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.819 -0.545 17598 4258 1 9 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.494 -0.415 17598 4259 1 9 . 1 1 79 79 VAL H H 79 9.060 9.060 9.263 -0.203 17598 4260 1 9 . 1 1 80 80 ILE N N 80 126.656 126.656 122.749 3.907 17598 4261 1 9 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.329 0.166 17598 4262 1 9 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.804 1.379 17598 4263 1 9 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.196 2.091 17598 4264 1 9 . 1 1 80 80 ILE H H 80 8.812 8.812 8.898 -0.086 17598 4265 1 9 . 1 1 81 81 GLU N N 81 126.656 126.656 128.117 -1.461 17598 4266 1 9 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.957 -0.335 17598 4267 1 9 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.923 0.151 17598 4268 1 9 . 1 1 81 81 GLU CB C 81 32.643 32.643 32.429 0.214 17598 4269 1 9 . 1 1 81 81 GLU H H 81 8.283 8.283 8.518 -0.235 17598 4270 1 9 . 1 1 82 82 ILE N N 82 120.094 120.094 125.439 -5.345 17598 4271 1 9 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.664 0.369 17598 4272 1 9 . 1 1 82 82 ILE CA C 82 60.228 60.228 61.235 -1.007 17598 4273 1 9 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.761 0.277 17598 4274 1 9 . 1 1 82 82 ILE H H 82 8.252 8.252 8.645 -0.393 17598 4275 1 9 . 1 1 83 83 VAL N N 83 120.094 120.094 121.004 -0.910 17598 4276 1 9 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.059 0.163 17598 4277 1 9 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.671 -0.448 17598 4278 1 9 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.478 -0.886 17598 4279 1 9 . 1 1 83 83 VAL H H 83 9.201 9.201 8.982 0.219 17598 4280 1 9 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.851 0.524 17598 4281 1 9 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.686 -0.644 17598 4282 1 9 . 1 1 84 84 PRO CB C 84 31.857 31.857 31.933 -0.076 17598 4283 1 9 . 1 1 85 85 ASP N N 85 120.250 120.250 122.596 -2.346 17598 4284 1 9 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.506 -0.001 17598 4285 1 9 . 1 1 85 85 ASP CA C 85 52.497 52.497 53.268 -0.771 17598 4286 1 9 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.397 -0.163 17598 4287 1 9 . 1 1 85 85 ASP H H 85 8.083 8.083 8.455 -0.372 17598 4288 1 9 . 1 1 86 86 GLY N N 86 109.156 109.156 106.281 2.875 17598 4289 1 9 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.337 -0.285 17598 4290 1 9 . 1 1 86 86 GLY H H 86 8.160 8.160 8.469 -0.309 17598 4291 1 9 . 1 1 87 87 GLU N N 87 120.719 120.719 120.021 0.698 17598 4292 1 9 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.510 -0.069 17598 4293 1 9 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.187 -1.208 17598 4294 1 9 . 1 1 87 87 GLU CB C 87 30.162 30.162 31.012 -0.851 17598 4295 1 9 . 1 1 87 87 GLU H H 87 8.663 8.663 8.411 0.252 17598 4296 1 9 . 1 1 88 88 GLY N N 88 109.312 109.312 108.379 0.933 17598 4297 1 9 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.973 -0.208 17598 4298 1 9 . 1 1 88 88 GLY H H 88 8.417 8.417 8.176 0.241 17598 4299 1 9 . 1 1 89 89 ASN N N 89 119.625 119.625 118.228 1.397 17598 4300 1 9 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.812 0.185 17598 4301 1 9 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.015 -1.045 17598 4302 1 9 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.381 0.707 17598 4303 1 9 . 1 1 89 89 ASN H H 89 8.331 8.331 7.913 0.418 17598 4304 1 9 . 1 1 90 90 TRP N N 90 121.188 121.188 119.908 1.280 17598 4305 1 9 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.142 0.019 17598 4306 1 9 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.690 0.080 17598 4307 1 9 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.553 0.708 17598 4308 1 9 . 1 1 90 90 TRP H H 90 8.538 8.538 8.575 -0.037 17598 4309 1 9 . 1 1 91 91 LEU N N 91 121.031 121.031 116.876 4.155 17598 4310 1 9 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.864 -0.049 17598 4311 1 9 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.346 0.010 17598 4312 1 9 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.901 -1.658 17598 4313 1 9 . 1 1 91 91 LEU H H 91 9.518 9.518 8.942 0.576 17598 4314 1 9 . 1 1 92 92 GLU N N 92 119.156 119.156 119.971 -0.815 17598 4315 1 9 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.292 0.760 17598 4316 1 9 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.749 -1.389 17598 4317 1 9 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.655 0.747 17598 4318 1 9 . 1 1 92 92 GLU H H 92 8.490 8.490 8.917 -0.427 17598 4319 1 9 . 1 1 93 93 ARG N N 93 124.938 124.938 121.434 3.504 17598 4320 1 9 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.744 0.320 17598 4321 1 9 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.402 0.292 17598 4322 1 9 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.236 1.925 17598 4323 1 9 . 1 1 93 93 ARG H H 93 9.283 9.283 8.402 0.881 17598 4324 1 9 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.772 0.471 17598 4325 1 9 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.964 -0.711 17598 4326 1 9 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.408 1.166 17598 4327 1 9 . 1 1 95 95 ARG N N 95 120.416 120.416 125.116 -4.700 17598 4328 1 9 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.672 0.024 17598 4329 1 9 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.307 0.316 17598 4330 1 9 . 1 1 95 95 ARG CB C 95 33.392 33.392 34.327 -0.935 17598 4331 1 9 . 1 1 95 95 ARG H H 95 9.115 9.115 9.035 0.080 17598 4332 1 9 . 1 1 96 96 SER N N 96 115.719 115.719 117.457 -1.738 17598 4333 1 9 . 1 1 96 96 SER HA H 96 5.781 5.781 5.235 0.546 17598 4334 1 9 . 1 1 96 96 SER CA C 96 56.824 56.824 56.935 -0.111 17598 4335 1 9 . 1 1 96 96 SER CB C 96 65.906 65.906 64.299 1.607 17598 4336 1 9 . 1 1 96 96 SER H H 96 8.676 8.676 8.578 0.098 17598 4337 1 9 . 1 1 97 97 LEU N N 97 126.188 126.188 127.418 -1.230 17598 4338 1 9 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.850 0.023 17598 4339 1 9 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.910 1.124 17598 4340 1 9 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.404 1.527 17598 4341 1 9 . 1 1 97 97 LEU H H 97 9.030 9.030 9.044 -0.014 17598 4342 1 9 . 1 1 98 98 THR N N 98 113.687 113.687 114.662 -0.975 17598 4343 1 9 . 1 1 98 98 THR HA H 98 4.869 4.869 4.470 0.399 17598 4344 1 9 . 1 1 98 98 THR CA C 98 60.265 60.265 61.284 -1.019 17598 4345 1 9 . 1 1 98 98 THR CB C 98 70.650 70.650 70.183 0.467 17598 4346 1 9 . 1 1 98 98 THR H H 98 8.410 8.410 8.281 0.129 17598 4347 1 9 . 1 1 99 99 LEU N N 99 126.344 126.344 124.822 1.522 17598 4348 1 9 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.105 -0.020 17598 4349 1 9 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.376 -0.605 17598 4350 1 9 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.110 0.943 17598 4351 1 9 . 1 1 99 99 LEU H H 99 7.806 7.806 7.878 -0.072 17598 4352 1 9 . 1 1 100 100 LYS N N 100 128.063 128.063 120.459 7.604 17598 4353 1 9 . 1 1 100 100 LYS HA H 100 4.395 4.395 3.861 0.534 17598 4354 1 9 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.335 -1.420 17598 4355 1 9 . 1 1 100 100 LYS CB C 100 33.060 33.060 29.467 3.593 17598 4356 1 9 . 1 1 100 100 LYS H H 100 8.816 8.816 8.619 0.197 17598 4357 1 9 . 1 1 101 101 GLU N N 101 123.531 123.531 118.737 4.794 17598 4358 1 9 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.205 -0.216 17598 4359 1 9 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.448 -0.478 17598 4360 1 9 . 1 1 101 101 GLU CB C 101 30.589 30.589 31.372 -0.783 17598 4361 1 9 . 1 1 101 101 GLU H H 101 8.323 8.323 7.647 0.676 17598 4362 1 9 . 1 1 102 102 ARG N N 102 122.965 122.965 123.315 -0.350 17598 4363 1 9 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.715 -0.348 17598 4364 1 9 . 1 1 102 102 ARG CA C 102 55.774 55.774 55.176 0.598 17598 4365 1 9 . 1 1 102 102 ARG CB C 102 30.559 30.559 32.272 -1.713 17598 4366 1 9 . 1 1 102 102 ARG H H 102 8.414 8.414 8.511 -0.097 17598 4367 1 9 . 1 1 103 103 SER N N 103 117.435 117.435 117.981 -0.546 17598 4368 1 9 . 1 1 103 103 SER HA H 103 4.431 4.431 4.704 -0.273 17598 4369 1 9 . 1 1 103 103 SER CA C 103 58.079 58.079 57.851 0.228 17598 4370 1 9 . 1 1 103 103 SER CB C 103 63.554 63.554 64.594 -1.040 17598 4371 1 9 . 1 1 103 103 SER H H 103 8.423 8.423 8.697 -0.274 17598 4372 1 9 . 1 1 104 104 LEU N N 104 124.423 124.423 119.848 4.575 17598 4373 1 9 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.677 -0.353 17598 4374 1 9 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.402 0.722 17598 4375 1 9 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.529 -0.540 17598 4376 1 9 . 1 1 104 104 LEU H H 104 8.369 8.369 8.056 0.313 17598 4377 1 9 . 1 1 105 105 GLU N N 105 120.875 120.875 119.644 1.231 17598 4378 1 9 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.592 -0.578 17598 4379 1 9 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.724 2.221 17598 4380 1 9 . 1 1 105 105 GLU CB C 105 29.846 29.846 30.971 -1.125 17598 4381 1 9 . 1 1 105 105 GLU H H 105 8.249 8.249 8.451 -0.202 17598 4382 1 9 . 1 1 106 106 HIS N N 106 120.719 120.719 121.659 -0.940 17598 4383 1 9 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.850 0.758 17598 4384 1 9 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.658 1.790 17598 4385 1 9 . 1 1 106 106 HIS H H 106 8.274 8.274 8.625 -0.351 17598 4386 1 9 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.768 -0.182 17598 4387 1 9 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.973 -0.169 17598 4388 1 9 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.367 0.057 17598 4389 1 9 . 1 1 108 108 HIS N N 108 125.843 125.843 117.891 7.952 17598 4390 1 9 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.298 1.807 17598 4391 1 9 . 1 1 108 108 HIS CB C 108 30.424 30.424 32.569 -2.145 17598 4392 1 9 . 1 1 108 108 HIS H H 108 7.941 7.941 8.173 -0.232 17598 4393 1 10 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.596 -0.221 17598 4394 1 10 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.826 0.524 17598 4395 1 10 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.573 -0.525 17598 4396 1 10 . 1 1 3 3 THR N N 3 114.937 114.937 115.381 -0.444 17598 4397 1 10 . 1 1 3 3 THR HA H 3 4.205 4.205 4.416 -0.211 17598 4398 1 10 . 1 1 3 3 THR CA C 3 62.493 62.493 62.354 0.139 17598 4399 1 10 . 1 1 3 3 THR CB C 3 69.391 69.391 69.422 -0.031 17598 4400 1 10 . 1 1 3 3 THR H H 3 8.316 8.316 8.101 0.215 17598 4401 1 10 . 1 1 4 4 VAL N N 4 122.438 122.438 120.828 1.610 17598 4402 1 10 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.660 -0.592 17598 4403 1 10 . 1 1 4 4 VAL CA C 4 62.493 62.493 60.458 2.035 17598 4404 1 10 . 1 1 4 4 VAL CB C 4 32.358 32.358 34.586 -2.228 17598 4405 1 10 . 1 1 4 4 VAL H H 4 7.953 7.953 8.140 -0.187 17598 4406 1 10 . 1 1 5 5 ARG N N 5 124.781 124.781 120.679 4.102 17598 4407 1 10 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.563 -0.213 17598 4408 1 10 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.872 -0.030 17598 4409 1 10 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.867 -0.224 17598 4410 1 10 . 1 1 5 5 ARG H H 5 8.319 8.319 8.641 -0.322 17598 4411 1 10 . 1 1 6 6 GLN N N 6 121.656 121.656 120.786 0.870 17598 4412 1 10 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.268 0.574 17598 4413 1 10 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.944 -1.754 17598 4414 1 10 . 1 1 6 6 GLN H H 6 8.373 8.373 7.994 0.379 17598 4415 1 10 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.514 -0.705 17598 4416 1 10 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.294 -1.462 17598 4417 1 10 . 1 1 7 7 LYS CB C 7 30.063 30.063 32.356 -2.293 17598 4418 1 10 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.879 -1.150 17598 4419 1 10 . 1 1 8 8 GLY H H 8 8.407 8.407 8.678 -0.271 17598 4420 1 10 . 1 1 9 9 ASN N N 9 118.812 118.812 119.419 -0.607 17598 4421 1 10 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.471 0.245 17598 4422 1 10 . 1 1 9 9 ASN CA C 9 52.883 52.883 54.409 -1.526 17598 4423 1 10 . 1 1 9 9 ASN CB C 9 38.892 38.892 38.464 0.428 17598 4424 1 10 . 1 1 9 9 ASN H H 9 8.337 8.337 8.437 -0.100 17598 4425 1 10 . 1 1 10 10 LYS N N 10 122.131 122.131 119.800 2.331 17598 4426 1 10 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.412 -0.080 17598 4427 1 10 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.073 -0.103 17598 4428 1 10 . 1 1 10 10 LYS CB C 10 32.574 32.574 33.308 -0.734 17598 4429 1 10 . 1 1 10 10 LYS H H 10 8.253 8.253 8.153 0.100 17598 4430 1 10 . 1 1 11 11 VAL N N 11 123.026 123.026 117.070 5.956 17598 4431 1 10 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.429 -0.293 17598 4432 1 10 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.990 1.014 17598 4433 1 10 . 1 1 11 11 VAL CB C 11 32.822 32.822 32.279 0.543 17598 4434 1 10 . 1 1 11 11 VAL H H 11 8.428 8.428 8.251 0.177 17598 4435 1 10 . 1 1 12 12 ILE N N 12 127.174 127.174 123.155 4.019 17598 4436 1 10 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.676 -0.572 17598 4437 1 10 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.337 -0.336 17598 4438 1 10 . 1 1 12 12 ILE CB C 12 37.733 37.733 39.841 -2.108 17598 4439 1 10 . 1 1 12 12 ILE H H 12 8.345 8.345 7.953 0.392 17598 4440 1 10 . 1 1 13 13 LYS N N 13 122.906 122.906 119.902 3.004 17598 4441 1 10 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.302 -0.485 17598 4442 1 10 . 1 1 13 13 LYS CA C 13 53.957 53.957 56.426 -2.469 17598 4443 1 10 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.292 0.225 17598 4444 1 10 . 1 1 13 13 LYS H H 13 7.662 7.662 8.552 -0.890 17598 4445 1 10 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.316 -0.391 17598 4446 1 10 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.666 -0.129 17598 4447 1 10 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.748 -0.155 17598 4448 1 10 . 1 1 15 15 ASP N N 15 121.969 121.969 123.954 -1.985 17598 4449 1 10 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.388 0.135 17598 4450 1 10 . 1 1 15 15 ASP CA C 15 52.974 52.974 55.807 -2.833 17598 4451 1 10 . 1 1 15 15 ASP CB C 15 40.470 40.470 41.064 -0.594 17598 4452 1 10 . 1 1 15 15 ASP H H 15 8.607 8.607 8.537 0.070 17598 4453 1 10 . 1 1 16 16 GLU N N 16 126.813 126.813 113.896 12.917 17598 4454 1 10 . 1 1 16 16 GLU HA H 16 4.192 4.192 3.880 0.312 17598 4455 1 10 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.225 0.426 17598 4456 1 10 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.088 0.119 17598 4457 1 10 . 1 1 16 16 GLU H H 16 9.032 9.032 8.613 0.419 17598 4458 1 10 . 1 1 17 17 THR N N 17 110.875 110.875 107.018 3.857 17598 4459 1 10 . 1 1 17 17 THR HA H 17 4.313 4.313 4.329 -0.016 17598 4460 1 10 . 1 1 17 17 THR CA C 17 61.660 61.660 62.155 -0.495 17598 4461 1 10 . 1 1 17 17 THR CB C 17 69.392 69.392 69.359 0.033 17598 4462 1 10 . 1 1 17 17 THR H H 17 8.453 8.453 7.856 0.597 17598 4463 1 10 . 1 1 18 18 ARG N N 18 124.313 124.313 121.366 2.947 17598 4464 1 10 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.242 -0.135 17598 4465 1 10 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.944 -0.011 17598 4466 1 10 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.405 0.616 17598 4467 1 10 . 1 1 18 18 ARG H H 18 6.969 6.969 7.629 -0.660 17598 4468 1 10 . 1 1 19 19 VAL N N 19 127.750 127.750 120.326 7.424 17598 4469 1 10 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.839 -0.046 17598 4470 1 10 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.428 -0.898 17598 4471 1 10 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.575 -1.554 17598 4472 1 10 . 1 1 19 19 VAL H H 19 8.494 8.494 8.237 0.257 17598 4473 1 10 . 1 1 20 20 LYS N N 20 129.005 129.005 126.078 2.927 17598 4474 1 10 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.568 -0.486 17598 4475 1 10 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.016 1.781 17598 4476 1 10 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.575 0.451 17598 4477 1 10 . 1 1 20 20 LYS H H 20 8.406 8.406 8.237 0.169 17598 4478 1 10 . 1 1 21 21 GLN N N 21 122.125 122.125 122.887 -0.762 17598 4479 1 10 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.171 0.260 17598 4480 1 10 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.907 -0.211 17598 4481 1 10 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.486 -0.279 17598 4482 1 10 . 1 1 21 21 GLN H H 21 9.783 9.783 8.299 1.484 17598 4483 1 10 . 1 1 22 22 PHE N N 22 126.785 126.785 121.768 5.017 17598 4484 1 10 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.372 -0.080 17598 4485 1 10 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.677 1.229 17598 4486 1 10 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.265 -0.160 17598 4487 1 10 . 1 1 22 22 PHE H H 22 9.214 9.214 8.707 0.507 17598 4488 1 10 . 1 1 23 23 LEU N N 23 115.846 115.846 118.430 -2.584 17598 4489 1 10 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.160 -0.041 17598 4490 1 10 . 1 1 23 23 LEU CA C 23 56.358 56.358 57.010 -0.652 17598 4491 1 10 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.512 -0.415 17598 4492 1 10 . 1 1 23 23 LEU H H 23 9.173 9.173 8.331 0.842 17598 4493 1 10 . 1 1 24 24 GLU N N 24 117.032 117.032 118.941 -1.909 17598 4494 1 10 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.301 0.509 17598 4495 1 10 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.651 -1.996 17598 4496 1 10 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.104 0.194 17598 4497 1 10 . 1 1 24 24 GLU H H 24 7.789 7.789 8.470 -0.681 17598 4498 1 10 . 1 1 25 25 GLY N N 25 105.050 105.050 105.844 -0.794 17598 4499 1 10 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.984 -0.577 17598 4500 1 10 . 1 1 25 25 GLY H H 25 7.640 7.640 7.584 0.056 17598 4501 1 10 . 1 1 26 26 PHE N N 26 115.467 115.467 118.350 -2.883 17598 4502 1 10 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.614 -0.110 17598 4503 1 10 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.460 -0.933 17598 4504 1 10 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.032 3.085 17598 4505 1 10 . 1 1 26 26 PHE H H 26 6.508 6.508 7.594 -1.086 17598 4506 1 10 . 1 1 27 27 ASN N N 27 118.006 118.006 117.105 0.901 17598 4507 1 10 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.538 -0.050 17598 4508 1 10 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.654 -0.625 17598 4509 1 10 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.735 -1.017 17598 4510 1 10 . 1 1 27 27 ASN H H 27 8.788 8.788 8.513 0.275 17598 4511 1 10 . 1 1 28 28 ILE N N 28 129.126 129.126 120.537 8.589 17598 4512 1 10 . 1 1 28 28 ILE HA H 28 3.688 3.688 4.076 -0.388 17598 4513 1 10 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.513 1.394 17598 4514 1 10 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.502 0.541 17598 4515 1 10 . 1 1 28 28 ILE H H 28 9.557 9.557 8.775 0.782 17598 4516 1 10 . 1 1 29 29 GLU N N 29 120.068 120.068 117.285 2.783 17598 4517 1 10 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.113 0.116 17598 4518 1 10 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.411 -0.064 17598 4519 1 10 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.180 -0.052 17598 4520 1 10 . 1 1 29 29 GLU H H 29 9.064 9.064 8.156 0.908 17598 4521 1 10 . 1 1 30 30 THR N N 30 109.404 109.404 113.528 -4.124 17598 4522 1 10 . 1 1 30 30 THR HA H 30 4.303 4.303 4.095 0.208 17598 4523 1 10 . 1 1 30 30 THR CA C 30 62.079 62.079 63.188 -1.109 17598 4524 1 10 . 1 1 30 30 THR CB C 30 69.583 69.583 68.538 1.045 17598 4525 1 10 . 1 1 30 30 THR H H 30 7.789 7.789 7.828 -0.039 17598 4526 1 10 . 1 1 31 31 PHE N N 31 120.250 120.250 117.766 2.484 17598 4527 1 10 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.911 0.515 17598 4528 1 10 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.846 -0.390 17598 4529 1 10 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.063 -0.070 17598 4530 1 10 . 1 1 31 31 PHE H H 31 7.236 7.236 6.908 0.328 17598 4531 1 10 . 1 1 32 32 GLU N N 32 118.531 118.531 119.920 -1.389 17598 4532 1 10 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.674 0.113 17598 4533 1 10 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.259 -1.330 17598 4534 1 10 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.898 -0.205 17598 4535 1 10 . 1 1 32 32 GLU H H 32 8.644 8.644 8.437 0.207 17598 4536 1 10 . 1 1 33 33 MET N N 33 127.438 127.438 127.078 0.360 17598 4537 1 10 . 1 1 33 33 MET HA H 33 4.643 4.643 4.455 0.188 17598 4538 1 10 . 1 1 33 33 MET CA C 33 56.411 56.411 57.098 -0.687 17598 4539 1 10 . 1 1 33 33 MET CB C 33 32.050 32.050 32.807 -0.757 17598 4540 1 10 . 1 1 33 33 MET H H 33 9.679 9.679 9.172 0.507 17598 4541 1 10 . 1 1 34 34 VAL N N 34 119.176 119.176 122.746 -3.570 17598 4542 1 10 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.472 0.302 17598 4543 1 10 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.642 -0.646 17598 4544 1 10 . 1 1 34 34 VAL CB C 34 32.849 32.849 32.843 0.006 17598 4545 1 10 . 1 1 34 34 VAL H H 34 8.897 8.897 8.859 0.038 17598 4546 1 10 . 1 1 35 35 GLY N N 35 108.249 108.249 107.767 0.482 17598 4547 1 10 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.065 0.119 17598 4548 1 10 . 1 1 35 35 GLY H H 35 7.589 7.589 7.965 -0.376 17598 4549 1 10 . 1 1 36 36 THR N N 36 110.562 110.562 113.365 -2.803 17598 4550 1 10 . 1 1 36 36 THR HA H 36 5.088 5.088 4.586 0.502 17598 4551 1 10 . 1 1 36 36 THR CA C 36 60.060 60.060 61.450 -1.390 17598 4552 1 10 . 1 1 36 36 THR CB C 36 72.335 72.335 71.527 0.808 17598 4553 1 10 . 1 1 36 36 THR H H 36 8.300 8.300 8.254 0.046 17598 4554 1 10 . 1 1 37 37 LEU N N 37 122.334 122.334 126.843 -4.509 17598 4555 1 10 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.892 -0.187 17598 4556 1 10 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.214 1.307 17598 4557 1 10 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.116 1.199 17598 4558 1 10 . 1 1 37 37 LEU H H 37 8.886 8.886 8.830 0.056 17598 4559 1 10 . 1 1 38 38 SER N N 38 119.156 119.156 119.098 0.058 17598 4560 1 10 . 1 1 38 38 SER HA H 38 5.489 5.489 5.439 0.050 17598 4561 1 10 . 1 1 38 38 SER CA C 38 56.819 56.819 57.184 -0.365 17598 4562 1 10 . 1 1 38 38 SER CB C 38 64.655 64.655 65.260 -0.605 17598 4563 1 10 . 1 1 38 38 SER H H 38 8.694 8.694 8.576 0.118 17598 4564 1 10 . 1 1 39 39 ASN N N 39 124.156 124.156 123.458 0.698 17598 4565 1 10 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.448 -0.644 17598 4566 1 10 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.746 0.117 17598 4567 1 10 . 1 1 39 39 ASN H H 39 9.068 9.068 8.938 0.130 17598 4568 1 10 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.101 0.066 17598 4569 1 10 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.687 0.039 17598 4570 1 10 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.275 -0.064 17598 4571 1 10 . 1 1 41 41 GLN N N 41 114.937 114.937 116.419 -1.482 17598 4572 1 10 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.241 0.109 17598 4573 1 10 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.849 -0.154 17598 4574 1 10 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.308 -0.320 17598 4575 1 10 . 1 1 41 41 GLN H H 41 8.399 8.399 8.552 -0.153 17598 4576 1 10 . 1 1 42 42 GLY N N 42 108.502 108.502 104.071 4.431 17598 4577 1 10 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.708 -0.137 17598 4578 1 10 . 1 1 42 42 GLY H H 42 7.892 7.892 7.956 -0.064 17598 4579 1 10 . 1 1 43 43 THR N N 43 116.344 116.344 115.371 0.973 17598 4580 1 10 . 1 1 43 43 THR HA H 43 3.749 3.749 4.966 -1.217 17598 4581 1 10 . 1 1 43 43 THR CA C 43 69.834 69.834 61.111 8.723 17598 4582 1 10 . 1 1 43 43 THR CB C 43 70.316 70.316 69.258 1.058 17598 4583 1 10 . 1 1 43 43 THR H H 43 7.762 7.762 7.731 0.031 17598 4584 1 10 . 1 1 44 44 PHE N N 44 123.688 123.688 124.400 -0.712 17598 4585 1 10 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.708 0.398 17598 4586 1 10 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.080 -0.533 17598 4587 1 10 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.612 -0.707 17598 4588 1 10 . 1 1 44 44 PHE H H 44 9.283 9.283 9.218 0.065 17598 4589 1 10 . 1 1 45 45 ALA N N 45 122.438 122.438 123.611 -1.173 17598 4590 1 10 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.870 0.081 17598 4591 1 10 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.393 -0.283 17598 4592 1 10 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.025 0.612 17598 4593 1 10 . 1 1 45 45 ALA H H 45 9.579 9.579 9.133 0.446 17598 4594 1 10 . 1 1 46 46 LEU N N 46 121.500 121.500 126.189 -4.689 17598 4595 1 10 . 1 1 46 46 LEU HA H 46 5.143 5.143 4.859 0.284 17598 4596 1 10 . 1 1 46 46 LEU CA C 46 52.982 52.982 54.562 -1.580 17598 4597 1 10 . 1 1 46 46 LEU CB C 46 42.418 42.418 41.857 0.561 17598 4598 1 10 . 1 1 46 46 LEU H H 46 8.472 8.472 8.626 -0.154 17598 4599 1 10 . 1 1 47 47 VAL N N 47 122.125 122.125 124.520 -2.395 17598 4600 1 10 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.745 0.170 17598 4601 1 10 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.684 -0.262 17598 4602 1 10 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.396 -1.568 17598 4603 1 10 . 1 1 47 47 VAL H H 47 9.175 9.175 9.220 -0.045 17598 4604 1 10 . 1 1 48 48 LYS N N 48 129.000 129.000 124.917 4.083 17598 4605 1 10 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.010 0.188 17598 4606 1 10 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.765 -0.039 17598 4607 1 10 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.418 -0.385 17598 4608 1 10 . 1 1 48 48 LYS H H 48 9.675 9.675 8.071 1.604 17598 4609 1 10 . 1 1 49 49 GLY N N 49 113.844 113.844 111.138 2.706 17598 4610 1 10 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.608 -0.732 17598 4611 1 10 . 1 1 49 49 GLY H H 49 8.792 8.792 8.627 0.165 17598 4612 1 10 . 1 1 50 50 ALA N N 50 123.844 123.844 121.593 2.251 17598 4613 1 10 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.129 0.323 17598 4614 1 10 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.636 0.346 17598 4615 1 10 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.958 -0.008 17598 4616 1 10 . 1 1 50 50 ALA H H 50 8.963 8.963 8.582 0.381 17598 4617 1 10 . 1 1 51 51 GLY N N 51 105.406 105.406 103.190 2.216 17598 4618 1 10 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.101 0.443 17598 4619 1 10 . 1 1 51 51 GLY H H 51 8.582 8.582 8.116 0.466 17598 4620 1 10 . 1 1 52 52 GLY N N 52 108.644 108.644 106.987 1.657 17598 4621 1 10 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.916 0.233 17598 4622 1 10 . 1 1 52 52 GLY H H 52 7.692 7.692 7.879 -0.187 17598 4623 1 10 . 1 1 53 53 VAL N N 53 121.656 121.656 115.710 5.946 17598 4624 1 10 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.674 -0.087 17598 4625 1 10 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.666 2.079 17598 4626 1 10 . 1 1 53 53 VAL CB C 53 32.967 32.967 35.122 -2.155 17598 4627 1 10 . 1 1 53 53 VAL H H 53 7.928 7.928 8.212 -0.284 17598 4628 1 10 . 1 1 54 54 HIS N N 54 128.219 128.219 121.562 6.657 17598 4629 1 10 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.967 -0.344 17598 4630 1 10 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.799 0.067 17598 4631 1 10 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.748 0.555 17598 4632 1 10 . 1 1 54 54 HIS H H 54 9.188 9.188 9.191 -0.003 17598 4633 1 10 . 1 1 55 55 ARG N N 55 122.125 122.125 120.877 1.248 17598 4634 1 10 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.480 -0.453 17598 4635 1 10 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.714 0.570 17598 4636 1 10 . 1 1 55 55 ARG CB C 55 30.757 30.757 33.711 -2.954 17598 4637 1 10 . 1 1 55 55 ARG H H 55 8.816 8.816 8.599 0.217 17598 4638 1 10 . 1 1 56 56 VAL N N 56 124.229 124.229 117.195 7.034 17598 4639 1 10 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.903 -0.195 17598 4640 1 10 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.999 0.683 17598 4641 1 10 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.673 -0.206 17598 4642 1 10 . 1 1 56 56 VAL H H 56 9.444 9.444 9.089 0.355 17598 4643 1 10 . 1 1 57 57 ARG N N 57 124.554 124.554 123.559 0.995 17598 4644 1 10 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.670 0.153 17598 4645 1 10 . 1 1 57 57 ARG CA C 57 53.324 53.324 54.031 -0.707 17598 4646 1 10 . 1 1 57 57 ARG CB C 57 33.985 33.985 31.924 2.061 17598 4647 1 10 . 1 1 57 57 ARG H H 57 9.124 9.124 8.571 0.553 17598 4648 1 10 . 1 1 58 58 VAL N N 58 120.250 120.250 120.232 0.018 17598 4649 1 10 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.611 -0.256 17598 4650 1 10 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.965 0.481 17598 4651 1 10 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.596 0.336 17598 4652 1 10 . 1 1 58 58 VAL H H 58 8.327 8.327 8.065 0.262 17598 4653 1 10 . 1 1 59 59 GLY N N 59 117.437 117.437 115.956 1.481 17598 4654 1 10 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.481 0.094 17598 4655 1 10 . 1 1 59 59 GLY H H 59 9.097 9.097 8.700 0.397 17598 4656 1 10 . 1 1 60 60 ASP N N 60 121.031 121.031 122.820 -1.789 17598 4657 1 10 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.427 0.524 17598 4658 1 10 . 1 1 60 60 ASP CA C 60 54.342 54.342 56.250 -1.908 17598 4659 1 10 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.493 0.265 17598 4660 1 10 . 1 1 60 60 ASP H H 60 7.800 7.800 7.904 -0.103 17598 4661 1 10 . 1 1 61 61 TYR N N 61 115.406 115.406 116.258 -0.852 17598 4662 1 10 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.351 0.239 17598 4663 1 10 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.869 -0.077 17598 4664 1 10 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.104 0.466 17598 4665 1 10 . 1 1 61 61 TYR H H 61 7.834 7.834 8.484 -0.650 17598 4666 1 10 . 1 1 62 62 LEU N N 62 117.750 117.750 116.659 1.091 17598 4667 1 10 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.823 -0.522 17598 4668 1 10 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.546 -0.549 17598 4669 1 10 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.608 1.162 17598 4670 1 10 . 1 1 62 62 LEU H H 62 9.362 9.362 8.767 0.595 17598 4671 1 10 . 1 1 63 63 GLY N N 63 107.303 107.303 107.717 -0.414 17598 4672 1 10 . 1 1 63 63 GLY CA C 63 44.288 44.288 44.953 -0.665 17598 4673 1 10 . 1 1 63 63 GLY H H 63 7.945 7.945 7.858 0.087 17598 4674 1 10 . 1 1 64 64 ARG N N 64 113.687 113.687 122.213 -8.526 17598 4675 1 10 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.240 0.201 17598 4676 1 10 . 1 1 64 64 ARG CA C 64 57.269 57.269 58.323 -1.054 17598 4677 1 10 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.454 0.292 17598 4678 1 10 . 1 1 64 64 ARG H H 64 8.424 8.424 8.533 -0.109 17598 4679 1 10 . 1 1 65 65 ASN N N 65 121.626 121.626 115.555 6.071 17598 4680 1 10 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.766 0.733 17598 4681 1 10 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.773 0.583 17598 4682 1 10 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.299 1.217 17598 4683 1 10 . 1 1 65 65 ASN H H 65 9.529 9.529 8.037 1.492 17598 4684 1 10 . 1 1 66 66 ASP N N 66 116.656 116.656 117.699 -1.043 17598 4685 1 10 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.336 -0.437 17598 4686 1 10 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.474 -0.686 17598 4687 1 10 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.757 0.663 17598 4688 1 10 . 1 1 66 66 ASP H H 66 9.397 9.397 8.324 1.073 17598 4689 1 10 . 1 1 67 67 GLY N N 67 100.587 100.587 105.303 -4.716 17598 4690 1 10 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.194 2.817 17598 4691 1 10 . 1 1 67 67 GLY H H 67 7.424 7.424 8.124 -0.700 17598 4692 1 10 . 1 1 68 68 LYS N N 68 130.952 130.952 128.551 2.401 17598 4693 1 10 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.808 -0.960 17598 4694 1 10 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.846 0.133 17598 4695 1 10 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.685 -0.228 17598 4696 1 10 . 1 1 68 68 LYS H H 68 8.121 8.121 8.886 -0.765 17598 4697 1 10 . 1 1 69 69 VAL N N 69 126.813 126.813 127.412 -0.599 17598 4698 1 10 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.762 0.350 17598 4699 1 10 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.383 -1.100 17598 4700 1 10 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.293 -0.559 17598 4701 1 10 . 1 1 69 69 VAL H H 69 9.113 9.113 8.473 0.640 17598 4702 1 10 . 1 1 70 70 VAL N N 70 122.594 122.594 123.203 -0.609 17598 4703 1 10 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.535 0.070 17598 4704 1 10 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.421 -0.524 17598 4705 1 10 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.605 -0.962 17598 4706 1 10 . 1 1 70 70 VAL H H 70 8.968 8.968 8.598 0.370 17598 4707 1 10 . 1 1 71 71 GLY N N 71 110.562 110.562 109.593 0.969 17598 4708 1 10 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.296 1.903 17598 4709 1 10 . 1 1 71 71 GLY H H 71 7.638 7.638 8.080 -0.442 17598 4710 1 10 . 1 1 72 72 ILE N N 72 123.063 123.063 122.431 0.632 17598 4711 1 10 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.325 0.134 17598 4712 1 10 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.620 0.754 17598 4713 1 10 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.518 2.863 17598 4714 1 10 . 1 1 72 72 ILE H H 72 8.404 8.404 8.411 -0.007 17598 4715 1 10 . 1 1 73 73 SER N N 73 123.531 123.531 123.704 -0.173 17598 4716 1 10 . 1 1 73 73 SER HA H 73 4.723 4.723 4.851 -0.128 17598 4717 1 10 . 1 1 73 73 SER CA C 73 56.220 56.220 56.884 -0.664 17598 4718 1 10 . 1 1 73 73 SER CB C 73 65.450 65.450 64.234 1.216 17598 4719 1 10 . 1 1 73 73 SER H H 73 8.801 8.801 8.846 -0.045 17598 4720 1 10 . 1 1 74 74 GLU N N 74 116.656 116.656 117.754 -1.098 17598 4721 1 10 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.384 -0.080 17598 4722 1 10 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.539 -1.809 17598 4723 1 10 . 1 1 74 74 GLU CB C 74 29.102 29.102 29.790 -0.688 17598 4724 1 10 . 1 1 74 74 GLU H H 74 8.537 8.537 8.584 -0.047 17598 4725 1 10 . 1 1 75 75 GLY N N 75 102.989 102.989 106.210 -3.221 17598 4726 1 10 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.045 -0.027 17598 4727 1 10 . 1 1 75 75 GLY H H 75 8.124 8.124 8.140 -0.016 17598 4728 1 10 . 1 1 76 76 LYS N N 76 120.094 120.094 117.767 2.327 17598 4729 1 10 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.101 0.160 17598 4730 1 10 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.475 1.125 17598 4731 1 10 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.823 0.588 17598 4732 1 10 . 1 1 76 76 LYS H H 76 7.546 7.546 7.579 -0.033 17598 4733 1 10 . 1 1 77 77 ILE N N 77 121.344 121.344 120.744 0.600 17598 4734 1 10 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.604 -0.054 17598 4735 1 10 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.781 1.066 17598 4736 1 10 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.471 1.145 17598 4737 1 10 . 1 1 77 77 ILE H H 77 8.776 8.776 8.652 0.124 17598 4738 1 10 . 1 1 78 78 ASP N N 78 126.813 126.813 128.723 -1.910 17598 4739 1 10 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.413 -0.212 17598 4740 1 10 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.040 0.080 17598 4741 1 10 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.937 1.015 17598 4742 1 10 . 1 1 78 78 ASP H H 78 8.964 8.964 8.433 0.531 17598 4743 1 10 . 1 1 79 79 VAL N N 79 124.156 124.156 117.623 6.533 17598 4744 1 10 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.032 0.147 17598 4745 1 10 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.915 -0.641 17598 4746 1 10 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.526 -0.447 17598 4747 1 10 . 1 1 79 79 VAL H H 79 9.060 9.060 8.955 0.105 17598 4748 1 10 . 1 1 80 80 ILE N N 80 126.656 126.656 122.591 4.065 17598 4749 1 10 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.643 -0.148 17598 4750 1 10 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.266 1.917 17598 4751 1 10 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.835 1.452 17598 4752 1 10 . 1 1 80 80 ILE H H 80 8.812 8.812 8.961 -0.149 17598 4753 1 10 . 1 1 81 81 GLU N N 81 126.656 126.656 128.046 -1.390 17598 4754 1 10 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.904 -0.282 17598 4755 1 10 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.786 0.288 17598 4756 1 10 . 1 1 81 81 GLU CB C 81 32.643 32.643 32.880 -0.237 17598 4757 1 10 . 1 1 81 81 GLU H H 81 8.283 8.283 8.692 -0.409 17598 4758 1 10 . 1 1 82 82 ILE N N 82 120.094 120.094 121.650 -1.556 17598 4759 1 10 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.767 0.266 17598 4760 1 10 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.057 1.171 17598 4761 1 10 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.845 1.193 17598 4762 1 10 . 1 1 82 82 ILE H H 82 8.252 8.252 8.659 -0.407 17598 4763 1 10 . 1 1 83 83 VAL N N 83 120.094 120.094 126.762 -6.668 17598 4764 1 10 . 1 1 83 83 VAL HA H 83 5.222 5.222 4.829 0.393 17598 4765 1 10 . 1 1 83 83 VAL CA C 83 57.223 57.223 58.193 -0.970 17598 4766 1 10 . 1 1 83 83 VAL CB C 83 33.593 33.593 36.588 -2.995 17598 4767 1 10 . 1 1 83 83 VAL H H 83 9.201 9.201 8.978 0.223 17598 4768 1 10 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.181 0.194 17598 4769 1 10 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.519 -0.477 17598 4770 1 10 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.073 -0.216 17598 4771 1 10 . 1 1 85 85 ASP N N 85 120.250 120.250 121.639 -1.389 17598 4772 1 10 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.508 -0.003 17598 4773 1 10 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.631 -2.134 17598 4774 1 10 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.898 -0.664 17598 4775 1 10 . 1 1 85 85 ASP H H 85 8.083 8.083 8.433 -0.350 17598 4776 1 10 . 1 1 86 86 GLY N N 86 109.156 109.156 106.233 2.923 17598 4777 1 10 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.363 -0.311 17598 4778 1 10 . 1 1 86 86 GLY H H 86 8.160 8.160 8.288 -0.128 17598 4779 1 10 . 1 1 87 87 GLU N N 87 120.719 120.719 121.058 -0.339 17598 4780 1 10 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.526 -0.085 17598 4781 1 10 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.082 -1.103 17598 4782 1 10 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.918 -0.756 17598 4783 1 10 . 1 1 87 87 GLU H H 87 8.663 8.663 8.545 0.118 17598 4784 1 10 . 1 1 88 88 GLY N N 88 109.312 109.312 107.745 1.567 17598 4785 1 10 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.788 -0.023 17598 4786 1 10 . 1 1 88 88 GLY H H 88 8.417 8.417 8.207 0.210 17598 4787 1 10 . 1 1 89 89 ASN N N 89 119.625 119.625 118.771 0.854 17598 4788 1 10 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.752 0.245 17598 4789 1 10 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.420 -1.450 17598 4790 1 10 . 1 1 89 89 ASN CB C 89 40.088 40.088 38.907 1.181 17598 4791 1 10 . 1 1 89 89 ASN H H 89 8.331 8.331 8.031 0.300 17598 4792 1 10 . 1 1 90 90 TRP N N 90 121.188 121.188 121.646 -0.458 17598 4793 1 10 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.042 0.119 17598 4794 1 10 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.656 0.114 17598 4795 1 10 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.465 0.796 17598 4796 1 10 . 1 1 90 90 TRP H H 90 8.538 8.538 8.408 0.130 17598 4797 1 10 . 1 1 91 91 LEU N N 91 121.031 121.031 120.653 0.378 17598 4798 1 10 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.846 -0.031 17598 4799 1 10 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.051 0.305 17598 4800 1 10 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.597 -1.354 17598 4801 1 10 . 1 1 91 91 LEU H H 91 9.518 9.518 8.891 0.627 17598 4802 1 10 . 1 1 92 92 GLU N N 92 119.156 119.156 121.263 -2.107 17598 4803 1 10 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.653 0.399 17598 4804 1 10 . 1 1 92 92 GLU CA C 92 55.360 55.360 57.258 -1.898 17598 4805 1 10 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.245 1.157 17598 4806 1 10 . 1 1 92 92 GLU H H 92 8.490 8.490 8.620 -0.130 17598 4807 1 10 . 1 1 93 93 ARG N N 93 124.938 124.938 123.986 0.952 17598 4808 1 10 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.832 0.232 17598 4809 1 10 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.450 0.244 17598 4810 1 10 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.353 2.808 17598 4811 1 10 . 1 1 93 93 ARG H H 93 9.283 9.283 8.698 0.585 17598 4812 1 10 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.823 0.420 17598 4813 1 10 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.953 -0.700 17598 4814 1 10 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.631 0.943 17598 4815 1 10 . 1 1 95 95 ARG N N 95 120.416 120.416 125.703 -5.287 17598 4816 1 10 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.745 -0.049 17598 4817 1 10 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.185 0.438 17598 4818 1 10 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.746 -0.354 17598 4819 1 10 . 1 1 95 95 ARG H H 95 9.115 9.115 8.963 0.152 17598 4820 1 10 . 1 1 96 96 SER N N 96 115.719 115.719 114.914 0.805 17598 4821 1 10 . 1 1 96 96 SER HA H 96 5.781 5.781 5.404 0.377 17598 4822 1 10 . 1 1 96 96 SER CA C 96 56.824 56.824 57.229 -0.405 17598 4823 1 10 . 1 1 96 96 SER CB C 96 65.906 65.906 65.442 0.464 17598 4824 1 10 . 1 1 96 96 SER H H 96 8.676 8.676 8.426 0.250 17598 4825 1 10 . 1 1 97 97 LEU N N 97 126.188 126.188 127.383 -1.195 17598 4826 1 10 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.692 0.181 17598 4827 1 10 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.946 1.088 17598 4828 1 10 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.344 1.587 17598 4829 1 10 . 1 1 97 97 LEU H H 97 9.030 9.030 9.105 -0.075 17598 4830 1 10 . 1 1 98 98 THR N N 98 113.687 113.687 115.592 -1.905 17598 4831 1 10 . 1 1 98 98 THR HA H 98 4.869 4.869 4.418 0.451 17598 4832 1 10 . 1 1 98 98 THR CA C 98 60.265 60.265 60.673 -0.408 17598 4833 1 10 . 1 1 98 98 THR CB C 98 70.650 70.650 69.847 0.802 17598 4834 1 10 . 1 1 98 98 THR H H 98 8.410 8.410 8.233 0.177 17598 4835 1 10 . 1 1 99 99 LEU N N 99 126.344 126.344 124.969 1.375 17598 4836 1 10 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.288 -0.203 17598 4837 1 10 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.209 -0.438 17598 4838 1 10 . 1 1 99 99 LEU CB C 99 43.053 43.053 41.951 1.102 17598 4839 1 10 . 1 1 99 99 LEU H H 99 7.806 7.806 8.265 -0.459 17598 4840 1 10 . 1 1 100 100 LYS N N 100 128.063 128.063 127.466 0.597 17598 4841 1 10 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.561 -0.166 17598 4842 1 10 . 1 1 100 100 LYS CA C 100 55.915 55.915 55.898 0.017 17598 4843 1 10 . 1 1 100 100 LYS CB C 100 33.060 33.060 35.396 -2.336 17598 4844 1 10 . 1 1 100 100 LYS H H 100 8.816 8.816 8.775 0.041 17598 4845 1 10 . 1 1 101 101 GLU N N 101 123.531 123.531 124.013 -0.482 17598 4846 1 10 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.499 -0.510 17598 4847 1 10 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.042 -0.072 17598 4848 1 10 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.225 0.364 17598 4849 1 10 . 1 1 101 101 GLU H H 101 8.323 8.323 8.714 -0.391 17598 4850 1 10 . 1 1 102 102 ARG N N 102 122.965 122.965 121.969 0.996 17598 4851 1 10 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.682 -0.315 17598 4852 1 10 . 1 1 102 102 ARG CA C 102 55.774 55.774 54.954 0.820 17598 4853 1 10 . 1 1 102 102 ARG CB C 102 30.559 30.559 31.959 -1.400 17598 4854 1 10 . 1 1 102 102 ARG H H 102 8.414 8.414 8.212 0.202 17598 4855 1 10 . 1 1 103 103 SER N N 103 117.435 117.435 119.703 -2.268 17598 4856 1 10 . 1 1 103 103 SER HA H 103 4.431 4.431 4.491 -0.060 17598 4857 1 10 . 1 1 103 103 SER CA C 103 58.079 58.079 58.167 -0.088 17598 4858 1 10 . 1 1 103 103 SER CB C 103 63.554 63.554 64.037 -0.483 17598 4859 1 10 . 1 1 103 103 SER H H 103 8.423 8.423 8.930 -0.507 17598 4860 1 10 . 1 1 104 104 LEU N N 104 124.423 124.423 121.891 2.532 17598 4861 1 10 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.529 -0.205 17598 4862 1 10 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.888 0.236 17598 4863 1 10 . 1 1 104 104 LEU CB C 104 41.989 41.989 40.972 1.016 17598 4864 1 10 . 1 1 104 104 LEU H H 104 8.369 8.369 8.722 -0.353 17598 4865 1 10 . 1 1 105 105 GLU N N 105 120.875 120.875 118.315 2.560 17598 4866 1 10 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.046 -0.032 17598 4867 1 10 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.059 1.886 17598 4868 1 10 . 1 1 105 105 GLU CB C 105 29.846 29.846 28.966 0.880 17598 4869 1 10 . 1 1 105 105 GLU H H 105 8.249 8.249 8.190 0.059 17598 4870 1 10 . 1 1 106 106 HIS N N 106 120.719 120.719 116.643 4.076 17598 4871 1 10 . 1 1 106 106 HIS CA C 106 56.608 56.608 56.892 -0.284 17598 4872 1 10 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.786 2.662 17598 4873 1 10 . 1 1 106 106 HIS H H 106 8.274 8.274 7.944 0.330 17598 4874 1 10 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.664 -0.078 17598 4875 1 10 . 1 1 107 107 HIS CA C 107 55.804 55.804 54.543 1.261 17598 4876 1 10 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.943 -0.519 17598 4877 1 10 . 1 1 108 108 HIS N N 108 125.843 125.843 117.573 8.270 17598 4878 1 10 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.371 1.734 17598 4879 1 10 . 1 1 108 108 HIS CB C 108 30.424 30.424 32.374 -1.950 17598 4880 1 10 . 1 1 108 108 HIS H H 108 7.941 7.941 8.612 -0.671 17598 4881 1 11 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.749 -0.374 17598 4882 1 11 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.982 0.368 17598 4883 1 11 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.272 -0.224 17598 4884 1 11 . 1 1 3 3 THR N N 3 114.937 114.937 120.332 -5.395 17598 4885 1 11 . 1 1 3 3 THR HA H 3 4.205 4.205 4.624 -0.419 17598 4886 1 11 . 1 1 3 3 THR CA C 3 62.493 62.493 61.707 0.786 17598 4887 1 11 . 1 1 3 3 THR CB C 3 69.391 69.391 70.806 -1.415 17598 4888 1 11 . 1 1 3 3 THR H H 3 8.316 8.316 8.448 -0.132 17598 4889 1 11 . 1 1 4 4 VAL N N 4 122.438 122.438 119.925 2.513 17598 4890 1 11 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.392 -0.324 17598 4891 1 11 . 1 1 4 4 VAL CA C 4 62.493 62.493 60.575 1.918 17598 4892 1 11 . 1 1 4 4 VAL CB C 4 32.358 32.358 33.125 -0.767 17598 4893 1 11 . 1 1 4 4 VAL H H 4 7.953 7.953 8.321 -0.368 17598 4894 1 11 . 1 1 5 5 ARG N N 5 124.781 124.781 127.156 -2.375 17598 4895 1 11 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.581 -0.231 17598 4896 1 11 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.877 -0.035 17598 4897 1 11 . 1 1 5 5 ARG CB C 5 30.643 30.643 29.641 1.002 17598 4898 1 11 . 1 1 5 5 ARG H H 5 8.319 8.319 8.599 -0.280 17598 4899 1 11 . 1 1 6 6 GLN N N 6 121.656 121.656 121.175 0.481 17598 4900 1 11 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.135 0.707 17598 4901 1 11 . 1 1 6 6 GLN CB C 6 29.189 29.189 31.576 -2.386 17598 4902 1 11 . 1 1 6 6 GLN H H 6 8.373 8.373 8.273 0.100 17598 4903 1 11 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.481 -0.672 17598 4904 1 11 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.383 -1.551 17598 4905 1 11 . 1 1 7 7 LYS CB C 7 30.063 30.063 32.521 -2.458 17598 4906 1 11 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.076 -0.347 17598 4907 1 11 . 1 1 8 8 GLY H H 8 8.407 8.407 8.672 -0.265 17598 4908 1 11 . 1 1 9 9 ASN N N 9 118.812 118.812 117.674 1.138 17598 4909 1 11 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.514 0.202 17598 4910 1 11 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.738 -0.855 17598 4911 1 11 . 1 1 9 9 ASN CB C 9 38.892 38.892 37.472 1.420 17598 4912 1 11 . 1 1 9 9 ASN H H 9 8.337 8.337 8.667 -0.330 17598 4913 1 11 . 1 1 10 10 LYS N N 10 122.131 122.131 119.641 2.490 17598 4914 1 11 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.485 -0.153 17598 4915 1 11 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.117 -0.147 17598 4916 1 11 . 1 1 10 10 LYS CB C 10 32.574 32.574 33.043 -0.469 17598 4917 1 11 . 1 1 10 10 LYS H H 10 8.253 8.253 7.977 0.276 17598 4918 1 11 . 1 1 11 11 VAL N N 11 123.026 123.026 120.707 2.319 17598 4919 1 11 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.265 -0.129 17598 4920 1 11 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.693 0.312 17598 4921 1 11 . 1 1 11 11 VAL CB C 11 32.822 32.822 33.463 -0.641 17598 4922 1 11 . 1 1 11 11 VAL H H 11 8.428 8.428 8.141 0.287 17598 4923 1 11 . 1 1 12 12 ILE N N 12 127.174 127.174 119.916 7.258 17598 4924 1 11 . 1 1 12 12 ILE HA H 12 4.104 4.104 3.896 0.208 17598 4925 1 11 . 1 1 12 12 ILE CA C 12 60.002 60.002 61.698 -1.696 17598 4926 1 11 . 1 1 12 12 ILE CB C 12 37.733 37.733 37.573 0.160 17598 4927 1 11 . 1 1 12 12 ILE H H 12 8.345 8.345 8.254 0.091 17598 4928 1 11 . 1 1 13 13 LYS N N 13 122.906 122.906 124.464 -1.558 17598 4929 1 11 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.692 -0.875 17598 4930 1 11 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.388 -0.431 17598 4931 1 11 . 1 1 13 13 LYS CB C 13 32.517 32.517 33.380 -0.863 17598 4932 1 11 . 1 1 13 13 LYS H H 13 7.662 7.662 7.847 -0.185 17598 4933 1 11 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.291 -0.366 17598 4934 1 11 . 1 1 14 14 PRO CA C 14 62.537 62.537 63.061 -0.524 17598 4935 1 11 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.783 -0.190 17598 4936 1 11 . 1 1 15 15 ASP N N 15 121.969 121.969 122.424 -0.455 17598 4937 1 11 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.715 -0.192 17598 4938 1 11 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.934 0.039 17598 4939 1 11 . 1 1 15 15 ASP CB C 15 40.470 40.470 43.245 -2.775 17598 4940 1 11 . 1 1 15 15 ASP H H 15 8.607 8.607 8.303 0.304 17598 4941 1 11 . 1 1 16 16 GLU N N 16 126.813 126.813 121.518 5.295 17598 4942 1 11 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.268 -0.076 17598 4943 1 11 . 1 1 16 16 GLU CA C 16 57.651 57.651 58.025 -0.374 17598 4944 1 11 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.885 -0.678 17598 4945 1 11 . 1 1 16 16 GLU H H 16 9.032 9.032 8.691 0.341 17598 4946 1 11 . 1 1 17 17 THR N N 17 110.875 110.875 111.620 -0.745 17598 4947 1 11 . 1 1 17 17 THR HA H 17 4.313 4.313 4.049 0.264 17598 4948 1 11 . 1 1 17 17 THR CA C 17 61.660 61.660 63.537 -1.877 17598 4949 1 11 . 1 1 17 17 THR CB C 17 69.392 69.392 68.824 0.568 17598 4950 1 11 . 1 1 17 17 THR H H 17 8.453 8.453 7.834 0.619 17598 4951 1 11 . 1 1 18 18 ARG N N 18 124.313 124.313 120.950 3.363 17598 4952 1 11 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.098 0.009 17598 4953 1 11 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.118 -0.185 17598 4954 1 11 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.710 0.311 17598 4955 1 11 . 1 1 18 18 ARG H H 18 6.969 6.969 7.713 -0.744 17598 4956 1 11 . 1 1 19 19 VAL N N 19 127.750 127.750 119.881 7.869 17598 4957 1 11 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.025 -0.232 17598 4958 1 11 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.111 -0.581 17598 4959 1 11 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.010 -0.989 17598 4960 1 11 . 1 1 19 19 VAL H H 19 8.494 8.494 8.200 0.294 17598 4961 1 11 . 1 1 20 20 LYS N N 20 129.005 129.005 126.932 2.073 17598 4962 1 11 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.601 -0.519 17598 4963 1 11 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.223 2.574 17598 4964 1 11 . 1 1 20 20 LYS CB C 20 33.025 33.025 30.764 2.261 17598 4965 1 11 . 1 1 20 20 LYS H H 20 8.406 8.406 8.319 0.087 17598 4966 1 11 . 1 1 21 21 GLN N N 21 122.125 122.125 121.304 0.821 17598 4967 1 11 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.131 0.300 17598 4968 1 11 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.968 -0.271 17598 4969 1 11 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.189 0.018 17598 4970 1 11 . 1 1 21 21 GLN H H 21 9.783 9.783 8.441 1.342 17598 4971 1 11 . 1 1 22 22 PHE N N 22 126.785 126.785 118.215 8.570 17598 4972 1 11 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.276 0.016 17598 4973 1 11 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.342 1.564 17598 4974 1 11 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.218 -0.113 17598 4975 1 11 . 1 1 22 22 PHE H H 22 9.214 9.214 8.511 0.703 17598 4976 1 11 . 1 1 23 23 LEU N N 23 115.846 115.846 117.687 -1.841 17598 4977 1 11 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.087 0.033 17598 4978 1 11 . 1 1 23 23 LEU CA C 23 56.358 56.358 55.764 0.594 17598 4979 1 11 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.275 -0.178 17598 4980 1 11 . 1 1 23 23 LEU H H 23 9.173 9.173 7.903 1.270 17598 4981 1 11 . 1 1 24 24 GLU N N 24 117.032 117.032 118.250 -1.218 17598 4982 1 11 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.486 0.325 17598 4983 1 11 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.102 -0.447 17598 4984 1 11 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.165 0.133 17598 4985 1 11 . 1 1 24 24 GLU H H 24 7.789 7.789 8.286 -0.497 17598 4986 1 11 . 1 1 25 25 GLY N N 25 105.050 105.050 106.288 -1.238 17598 4987 1 11 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.539 -0.132 17598 4988 1 11 . 1 1 25 25 GLY H H 25 7.640 7.640 7.271 0.369 17598 4989 1 11 . 1 1 26 26 PHE N N 26 115.467 115.467 118.187 -2.720 17598 4990 1 11 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.821 -0.317 17598 4991 1 11 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.287 0.240 17598 4992 1 11 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.910 2.207 17598 4993 1 11 . 1 1 26 26 PHE H H 26 6.508 6.508 7.327 -0.819 17598 4994 1 11 . 1 1 27 27 ASN N N 27 118.006 118.006 116.921 1.085 17598 4995 1 11 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.629 -0.141 17598 4996 1 11 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.333 -0.304 17598 4997 1 11 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.984 -1.266 17598 4998 1 11 . 1 1 27 27 ASN H H 27 8.788 8.788 8.475 0.313 17598 4999 1 11 . 1 1 28 28 ILE N N 28 129.126 129.126 120.524 8.602 17598 5000 1 11 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.807 -0.119 17598 5001 1 11 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.150 1.757 17598 5002 1 11 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.604 0.439 17598 5003 1 11 . 1 1 28 28 ILE H H 28 9.557 9.557 8.723 0.834 17598 5004 1 11 . 1 1 29 29 GLU N N 29 120.068 120.068 118.557 1.511 17598 5005 1 11 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.061 0.168 17598 5006 1 11 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.937 -0.590 17598 5007 1 11 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.446 -0.317 17598 5008 1 11 . 1 1 29 29 GLU H H 29 9.064 9.064 8.428 0.636 17598 5009 1 11 . 1 1 30 30 THR N N 30 109.404 109.404 110.702 -1.298 17598 5010 1 11 . 1 1 30 30 THR HA H 30 4.303 4.303 4.086 0.217 17598 5011 1 11 . 1 1 30 30 THR CA C 30 62.079 62.079 63.479 -1.400 17598 5012 1 11 . 1 1 30 30 THR CB C 30 69.583 69.583 68.427 1.156 17598 5013 1 11 . 1 1 30 30 THR H H 30 7.789 7.789 7.695 0.094 17598 5014 1 11 . 1 1 31 31 PHE N N 31 120.250 120.250 120.421 -0.171 17598 5015 1 11 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.985 0.441 17598 5016 1 11 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.506 -0.050 17598 5017 1 11 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.139 -0.146 17598 5018 1 11 . 1 1 31 31 PHE H H 31 7.236 7.236 6.970 0.266 17598 5019 1 11 . 1 1 32 32 GLU N N 32 118.531 118.531 119.548 -1.017 17598 5020 1 11 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.762 0.025 17598 5021 1 11 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.107 -1.178 17598 5022 1 11 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.636 0.057 17598 5023 1 11 . 1 1 32 32 GLU H H 32 8.644 8.644 9.174 -0.530 17598 5024 1 11 . 1 1 33 33 MET N N 33 127.438 127.438 126.543 0.895 17598 5025 1 11 . 1 1 33 33 MET HA H 33 4.643 4.643 4.204 0.439 17598 5026 1 11 . 1 1 33 33 MET CA C 33 56.411 56.411 57.554 -1.143 17598 5027 1 11 . 1 1 33 33 MET CB C 33 32.050 32.050 32.809 -0.759 17598 5028 1 11 . 1 1 33 33 MET H H 33 9.679 9.679 9.148 0.531 17598 5029 1 11 . 1 1 34 34 VAL N N 34 119.176 119.176 126.769 -7.593 17598 5030 1 11 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.472 0.302 17598 5031 1 11 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.350 -0.354 17598 5032 1 11 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.403 -0.554 17598 5033 1 11 . 1 1 34 34 VAL H H 34 8.897 8.897 8.477 0.420 17598 5034 1 11 . 1 1 35 35 GLY N N 35 108.249 108.249 107.365 0.884 17598 5035 1 11 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.817 -0.633 17598 5036 1 11 . 1 1 35 35 GLY H H 35 7.589 7.589 7.939 -0.350 17598 5037 1 11 . 1 1 36 36 THR N N 36 110.562 110.562 112.631 -2.069 17598 5038 1 11 . 1 1 36 36 THR HA H 36 5.088 5.088 4.717 0.371 17598 5039 1 11 . 1 1 36 36 THR CA C 36 60.060 60.060 60.734 -0.674 17598 5040 1 11 . 1 1 36 36 THR CB C 36 72.335 72.335 72.228 0.107 17598 5041 1 11 . 1 1 36 36 THR H H 36 8.300 8.300 8.043 0.257 17598 5042 1 11 . 1 1 37 37 LEU N N 37 122.334 122.334 124.325 -1.991 17598 5043 1 11 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.886 -0.181 17598 5044 1 11 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.399 1.122 17598 5045 1 11 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.399 0.916 17598 5046 1 11 . 1 1 37 37 LEU H H 37 8.886 8.886 8.829 0.057 17598 5047 1 11 . 1 1 38 38 SER N N 38 119.156 119.156 119.989 -0.833 17598 5048 1 11 . 1 1 38 38 SER HA H 38 5.489 5.489 5.364 0.125 17598 5049 1 11 . 1 1 38 38 SER CA C 38 56.819 56.819 57.336 -0.517 17598 5050 1 11 . 1 1 38 38 SER CB C 38 64.655 64.655 64.937 -0.282 17598 5051 1 11 . 1 1 38 38 SER H H 38 8.694 8.694 8.522 0.172 17598 5052 1 11 . 1 1 39 39 ASN N N 39 124.156 124.156 123.555 0.601 17598 5053 1 11 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.928 -1.124 17598 5054 1 11 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.649 0.214 17598 5055 1 11 . 1 1 39 39 ASN H H 39 9.068 9.068 8.833 0.235 17598 5056 1 11 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.111 0.056 17598 5057 1 11 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.654 0.072 17598 5058 1 11 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.428 -0.217 17598 5059 1 11 . 1 1 41 41 GLN N N 41 114.937 114.937 116.827 -1.890 17598 5060 1 11 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.242 0.108 17598 5061 1 11 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.765 -0.070 17598 5062 1 11 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.339 -0.351 17598 5063 1 11 . 1 1 41 41 GLN H H 41 8.399 8.399 8.481 -0.082 17598 5064 1 11 . 1 1 42 42 GLY N N 42 108.502 108.502 105.630 2.872 17598 5065 1 11 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.595 -0.024 17598 5066 1 11 . 1 1 42 42 GLY H H 42 7.892 7.892 7.669 0.223 17598 5067 1 11 . 1 1 43 43 THR N N 43 116.344 116.344 117.357 -1.013 17598 5068 1 11 . 1 1 43 43 THR HA H 43 3.749 3.749 5.254 -1.505 17598 5069 1 11 . 1 1 43 43 THR CA C 43 69.834 69.834 61.870 7.964 17598 5070 1 11 . 1 1 43 43 THR CB C 43 70.316 70.316 68.765 1.551 17598 5071 1 11 . 1 1 43 43 THR H H 43 7.762 7.762 7.882 -0.120 17598 5072 1 11 . 1 1 44 44 PHE N N 44 123.688 123.688 125.221 -1.533 17598 5073 1 11 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.589 0.517 17598 5074 1 11 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.371 -0.824 17598 5075 1 11 . 1 1 44 44 PHE CB C 44 41.905 41.905 40.789 1.115 17598 5076 1 11 . 1 1 44 44 PHE H H 44 9.283 9.283 8.885 0.398 17598 5077 1 11 . 1 1 45 45 ALA N N 45 122.438 122.438 122.539 -0.101 17598 5078 1 11 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.829 0.122 17598 5079 1 11 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.651 -0.541 17598 5080 1 11 . 1 1 45 45 ALA CB C 45 21.637 21.637 20.929 0.708 17598 5081 1 11 . 1 1 45 45 ALA H H 45 9.579 9.579 9.105 0.474 17598 5082 1 11 . 1 1 46 46 LEU N N 46 121.500 121.500 125.907 -4.407 17598 5083 1 11 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.044 0.099 17598 5084 1 11 . 1 1 46 46 LEU CA C 46 52.982 52.982 54.065 -1.083 17598 5085 1 11 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.666 -0.248 17598 5086 1 11 . 1 1 46 46 LEU H H 46 8.472 8.472 8.774 -0.302 17598 5087 1 11 . 1 1 47 47 VAL N N 47 122.125 122.125 123.417 -1.292 17598 5088 1 11 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.534 0.381 17598 5089 1 11 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.795 -0.372 17598 5090 1 11 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.266 -1.438 17598 5091 1 11 . 1 1 47 47 VAL H H 47 9.175 9.175 8.940 0.235 17598 5092 1 11 . 1 1 48 48 LYS N N 48 129.000 129.000 124.584 4.416 17598 5093 1 11 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.822 0.376 17598 5094 1 11 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.016 0.710 17598 5095 1 11 . 1 1 48 48 LYS CB C 48 35.033 35.033 36.020 -0.987 17598 5096 1 11 . 1 1 48 48 LYS H H 48 9.675 9.675 8.546 1.129 17598 5097 1 11 . 1 1 49 49 GLY N N 49 113.844 113.844 110.919 2.925 17598 5098 1 11 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.831 -0.955 17598 5099 1 11 . 1 1 49 49 GLY H H 49 8.792 8.792 8.667 0.125 17598 5100 1 11 . 1 1 50 50 ALA N N 50 123.844 123.844 121.775 2.069 17598 5101 1 11 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.700 -0.248 17598 5102 1 11 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.094 -0.112 17598 5103 1 11 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.374 -0.424 17598 5104 1 11 . 1 1 50 50 ALA H H 50 8.963 8.963 8.892 0.071 17598 5105 1 11 . 1 1 51 51 GLY N N 51 105.406 105.406 103.445 1.961 17598 5106 1 11 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.290 0.254 17598 5107 1 11 . 1 1 51 51 GLY H H 51 8.582 8.582 8.386 0.196 17598 5108 1 11 . 1 1 52 52 GLY N N 52 108.644 108.644 106.430 2.214 17598 5109 1 11 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.017 0.133 17598 5110 1 11 . 1 1 52 52 GLY H H 52 7.692 7.692 7.905 -0.213 17598 5111 1 11 . 1 1 53 53 VAL N N 53 121.656 121.656 116.778 4.878 17598 5112 1 11 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.658 -0.071 17598 5113 1 11 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.356 1.389 17598 5114 1 11 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.066 -1.099 17598 5115 1 11 . 1 1 53 53 VAL H H 53 7.928 7.928 8.312 -0.384 17598 5116 1 11 . 1 1 54 54 HIS N N 54 128.219 128.219 123.442 4.777 17598 5117 1 11 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.072 -0.449 17598 5118 1 11 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.681 1.185 17598 5119 1 11 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.112 1.190 17598 5120 1 11 . 1 1 54 54 HIS H H 54 9.188 9.188 8.860 0.328 17598 5121 1 11 . 1 1 55 55 ARG N N 55 122.125 122.125 121.836 0.289 17598 5122 1 11 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.408 -0.381 17598 5123 1 11 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.827 0.457 17598 5124 1 11 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.662 -1.905 17598 5125 1 11 . 1 1 55 55 ARG H H 55 8.816 8.816 8.551 0.265 17598 5126 1 11 . 1 1 56 56 VAL N N 56 124.229 124.229 117.962 6.267 17598 5127 1 11 . 1 1 56 56 VAL HA H 56 4.708 4.708 5.039 -0.331 17598 5128 1 11 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.675 1.006 17598 5129 1 11 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.575 -0.108 17598 5130 1 11 . 1 1 56 56 VAL H H 56 9.444 9.444 8.917 0.527 17598 5131 1 11 . 1 1 57 57 ARG N N 57 124.554 124.554 121.175 3.379 17598 5132 1 11 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.702 0.121 17598 5133 1 11 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.648 -0.324 17598 5134 1 11 . 1 1 57 57 ARG CB C 57 33.985 33.985 31.961 2.024 17598 5135 1 11 . 1 1 57 57 ARG H H 57 9.124 9.124 8.158 0.966 17598 5136 1 11 . 1 1 58 58 VAL N N 58 120.250 120.250 120.085 0.165 17598 5137 1 11 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.637 -0.282 17598 5138 1 11 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.264 0.182 17598 5139 1 11 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.524 0.408 17598 5140 1 11 . 1 1 58 58 VAL H H 58 8.327 8.327 8.496 -0.170 17598 5141 1 11 . 1 1 59 59 GLY N N 59 117.437 117.437 115.897 1.540 17598 5142 1 11 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.467 0.108 17598 5143 1 11 . 1 1 59 59 GLY H H 59 9.097 9.097 8.625 0.472 17598 5144 1 11 . 1 1 60 60 ASP N N 60 121.031 121.031 121.765 -0.734 17598 5145 1 11 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.722 0.229 17598 5146 1 11 . 1 1 60 60 ASP CA C 60 54.342 54.342 54.699 -0.357 17598 5147 1 11 . 1 1 60 60 ASP CB C 60 41.758 41.758 42.019 -0.261 17598 5148 1 11 . 1 1 60 60 ASP H H 60 7.800 7.800 8.077 -0.277 17598 5149 1 11 . 1 1 61 61 TYR N N 61 115.406 115.406 116.290 -0.884 17598 5150 1 11 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.524 0.066 17598 5151 1 11 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.869 -0.077 17598 5152 1 11 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.196 0.374 17598 5153 1 11 . 1 1 61 61 TYR H H 61 7.834 7.834 8.368 -0.534 17598 5154 1 11 . 1 1 62 62 LEU N N 62 117.750 117.750 119.843 -2.093 17598 5155 1 11 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.952 -0.651 17598 5156 1 11 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.600 -0.603 17598 5157 1 11 . 1 1 62 62 LEU CB C 62 46.770 46.770 47.218 -0.448 17598 5158 1 11 . 1 1 62 62 LEU H H 62 9.362 9.362 8.753 0.609 17598 5159 1 11 . 1 1 63 63 GLY N N 63 107.303 107.303 108.088 -0.785 17598 5160 1 11 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.191 -0.903 17598 5161 1 11 . 1 1 63 63 GLY H H 63 7.945 7.945 8.215 -0.270 17598 5162 1 11 . 1 1 64 64 ARG N N 64 113.687 113.687 120.716 -7.029 17598 5163 1 11 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.344 0.097 17598 5164 1 11 . 1 1 64 64 ARG CA C 64 57.269 57.269 56.587 0.682 17598 5165 1 11 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.440 0.306 17598 5166 1 11 . 1 1 64 64 ARG H H 64 8.424 8.424 8.381 0.043 17598 5167 1 11 . 1 1 65 65 ASN N N 65 121.626 121.626 117.403 4.223 17598 5168 1 11 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.794 0.705 17598 5169 1 11 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.767 0.589 17598 5170 1 11 . 1 1 65 65 ASN CB C 65 39.516 39.516 39.065 0.451 17598 5171 1 11 . 1 1 65 65 ASN H H 65 9.529 9.529 8.029 1.500 17598 5172 1 11 . 1 1 66 66 ASP N N 66 116.656 116.656 116.623 0.033 17598 5173 1 11 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.307 -0.408 17598 5174 1 11 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.241 -0.453 17598 5175 1 11 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.547 0.873 17598 5176 1 11 . 1 1 66 66 ASP H H 66 9.397 9.397 7.788 1.609 17598 5177 1 11 . 1 1 67 67 GLY N N 67 100.587 100.587 106.490 -5.903 17598 5178 1 11 . 1 1 67 67 GLY CA C 67 48.011 48.011 44.787 3.224 17598 5179 1 11 . 1 1 67 67 GLY H H 67 7.424 7.424 8.372 -0.948 17598 5180 1 11 . 1 1 68 68 LYS N N 68 130.952 130.952 127.072 3.880 17598 5181 1 11 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.699 -0.851 17598 5182 1 11 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.262 -0.283 17598 5183 1 11 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.715 -0.258 17598 5184 1 11 . 1 1 68 68 LYS H H 68 8.121 8.121 8.792 -0.671 17598 5185 1 11 . 1 1 69 69 VAL N N 69 126.813 126.813 124.436 2.377 17598 5186 1 11 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.984 0.128 17598 5187 1 11 . 1 1 69 69 VAL CA C 69 63.283 63.283 62.156 1.127 17598 5188 1 11 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.639 0.095 17598 5189 1 11 . 1 1 69 69 VAL H H 69 9.113 9.113 8.183 0.930 17598 5190 1 11 . 1 1 70 70 VAL N N 70 122.594 122.594 124.618 -2.024 17598 5191 1 11 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.555 0.050 17598 5192 1 11 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.651 -0.754 17598 5193 1 11 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.636 -0.993 17598 5194 1 11 . 1 1 70 70 VAL H H 70 8.968 8.968 8.669 0.299 17598 5195 1 11 . 1 1 71 71 GLY N N 71 110.562 110.562 109.384 1.178 17598 5196 1 11 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.309 1.890 17598 5197 1 11 . 1 1 71 71 GLY H H 71 7.638 7.638 8.061 -0.423 17598 5198 1 11 . 1 1 72 72 ILE N N 72 123.063 123.063 122.269 0.794 17598 5199 1 11 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.277 0.182 17598 5200 1 11 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.709 0.665 17598 5201 1 11 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.552 2.829 17598 5202 1 11 . 1 1 72 72 ILE H H 72 8.404 8.404 8.427 -0.023 17598 5203 1 11 . 1 1 73 73 SER N N 73 123.531 123.531 123.328 0.203 17598 5204 1 11 . 1 1 73 73 SER HA H 73 4.723 4.723 4.898 -0.175 17598 5205 1 11 . 1 1 73 73 SER CA C 73 56.220 56.220 56.464 -0.244 17598 5206 1 11 . 1 1 73 73 SER CB C 73 65.450 65.450 64.492 0.958 17598 5207 1 11 . 1 1 73 73 SER H H 73 8.801 8.801 8.813 -0.012 17598 5208 1 11 . 1 1 74 74 GLU N N 74 116.656 116.656 119.070 -2.414 17598 5209 1 11 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.482 -0.178 17598 5210 1 11 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.357 -1.627 17598 5211 1 11 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.309 -1.207 17598 5212 1 11 . 1 1 74 74 GLU H H 74 8.537 8.537 8.696 -0.159 17598 5213 1 11 . 1 1 75 75 GLY N N 75 102.989 102.989 105.874 -2.885 17598 5214 1 11 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.836 0.182 17598 5215 1 11 . 1 1 75 75 GLY H H 75 8.124 8.124 8.211 -0.087 17598 5216 1 11 . 1 1 76 76 LYS N N 76 120.094 120.094 117.531 2.563 17598 5217 1 11 . 1 1 76 76 LYS HA H 76 5.261 5.261 4.951 0.310 17598 5218 1 11 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.100 1.501 17598 5219 1 11 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.688 0.723 17598 5220 1 11 . 1 1 76 76 LYS H H 76 7.546 7.546 7.380 0.166 17598 5221 1 11 . 1 1 77 77 ILE N N 77 121.344 121.344 121.934 -0.590 17598 5222 1 11 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.596 -0.046 17598 5223 1 11 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.771 1.076 17598 5224 1 11 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.362 1.254 17598 5225 1 11 . 1 1 77 77 ILE H H 77 8.776 8.776 8.632 0.144 17598 5226 1 11 . 1 1 78 78 ASP N N 78 126.813 126.813 128.818 -2.005 17598 5227 1 11 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.192 0.009 17598 5228 1 11 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.506 -0.386 17598 5229 1 11 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.671 1.281 17598 5230 1 11 . 1 1 78 78 ASP H H 78 8.964 8.964 8.367 0.597 17598 5231 1 11 . 1 1 79 79 VAL N N 79 124.156 124.156 116.627 7.529 17598 5232 1 11 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.074 0.105 17598 5233 1 11 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.782 -0.508 17598 5234 1 11 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.133 -0.054 17598 5235 1 11 . 1 1 79 79 VAL H H 79 9.060 9.060 9.047 0.013 17598 5236 1 11 . 1 1 80 80 ILE N N 80 126.656 126.656 123.593 3.063 17598 5237 1 11 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.399 0.096 17598 5238 1 11 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.356 1.827 17598 5239 1 11 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.905 1.382 17598 5240 1 11 . 1 1 80 80 ILE H H 80 8.812 8.812 8.844 -0.032 17598 5241 1 11 . 1 1 81 81 GLU N N 81 126.656 126.656 127.569 -0.913 17598 5242 1 11 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.978 -0.356 17598 5243 1 11 . 1 1 81 81 GLU CA C 81 55.074 55.074 53.534 1.540 17598 5244 1 11 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.941 -1.298 17598 5245 1 11 . 1 1 81 81 GLU H H 81 8.283 8.283 8.537 -0.254 17598 5246 1 11 . 1 1 82 82 ILE N N 82 120.094 120.094 119.321 0.773 17598 5247 1 11 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.184 -0.151 17598 5248 1 11 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.485 1.743 17598 5249 1 11 . 1 1 82 82 ILE CB C 82 39.038 39.038 39.804 -0.767 17598 5250 1 11 . 1 1 82 82 ILE H H 82 8.252 8.252 8.455 -0.203 17598 5251 1 11 . 1 1 83 83 VAL N N 83 120.094 120.094 118.580 1.514 17598 5252 1 11 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.125 0.097 17598 5253 1 11 . 1 1 83 83 VAL CA C 83 57.223 57.223 58.002 -0.779 17598 5254 1 11 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.720 -1.127 17598 5255 1 11 . 1 1 83 83 VAL H H 83 9.201 9.201 9.012 0.189 17598 5256 1 11 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.448 -0.073 17598 5257 1 11 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.497 -0.455 17598 5258 1 11 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.379 -0.522 17598 5259 1 11 . 1 1 85 85 ASP N N 85 120.250 120.250 120.228 0.022 17598 5260 1 11 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.510 -0.005 17598 5261 1 11 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.650 -2.153 17598 5262 1 11 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.303 -1.069 17598 5263 1 11 . 1 1 85 85 ASP H H 85 8.083 8.083 8.503 -0.420 17598 5264 1 11 . 1 1 86 86 GLY N N 86 109.156 109.156 107.359 1.797 17598 5265 1 11 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.438 -0.386 17598 5266 1 11 . 1 1 86 86 GLY H H 86 8.160 8.160 8.594 -0.434 17598 5267 1 11 . 1 1 87 87 GLU N N 87 120.719 120.719 120.197 0.522 17598 5268 1 11 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.446 -0.005 17598 5269 1 11 . 1 1 87 87 GLU CA C 87 54.979 54.979 55.854 -0.875 17598 5270 1 11 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.532 -0.370 17598 5271 1 11 . 1 1 87 87 GLU H H 87 8.663 8.663 8.437 0.226 17598 5272 1 11 . 1 1 88 88 GLY N N 88 109.312 109.312 108.258 1.054 17598 5273 1 11 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.622 0.143 17598 5274 1 11 . 1 1 88 88 GLY H H 88 8.417 8.417 7.921 0.496 17598 5275 1 11 . 1 1 89 89 ASN N N 89 119.625 119.625 116.379 3.246 17598 5276 1 11 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.917 0.080 17598 5277 1 11 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.210 -1.240 17598 5278 1 11 . 1 1 89 89 ASN CB C 89 40.088 40.088 41.602 -1.514 17598 5279 1 11 . 1 1 89 89 ASN H H 89 8.331 8.331 7.623 0.708 17598 5280 1 11 . 1 1 90 90 TRP N N 90 121.188 121.188 119.494 1.694 17598 5281 1 11 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.450 -0.289 17598 5282 1 11 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.373 0.397 17598 5283 1 11 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.848 0.413 17598 5284 1 11 . 1 1 90 90 TRP H H 90 8.538 8.538 8.411 0.127 17598 5285 1 11 . 1 1 91 91 LEU N N 91 121.031 121.031 119.813 1.218 17598 5286 1 11 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.773 0.042 17598 5287 1 11 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.240 0.116 17598 5288 1 11 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.888 -1.645 17598 5289 1 11 . 1 1 91 91 LEU H H 91 9.518 9.518 9.108 0.410 17598 5290 1 11 . 1 1 92 92 GLU N N 92 119.156 119.156 120.396 -1.240 17598 5291 1 11 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.872 0.180 17598 5292 1 11 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.407 -1.047 17598 5293 1 11 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.244 1.158 17598 5294 1 11 . 1 1 92 92 GLU H H 92 8.490 8.490 8.577 -0.087 17598 5295 1 11 . 1 1 93 93 ARG N N 93 124.938 124.938 121.317 3.621 17598 5296 1 11 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.784 0.280 17598 5297 1 11 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.955 -0.261 17598 5298 1 11 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.953 2.208 17598 5299 1 11 . 1 1 93 93 ARG H H 93 9.283 9.283 8.597 0.686 17598 5300 1 11 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.775 0.468 17598 5301 1 11 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.952 -0.699 17598 5302 1 11 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.639 0.935 17598 5303 1 11 . 1 1 95 95 ARG N N 95 120.416 120.416 125.599 -5.183 17598 5304 1 11 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.774 -0.078 17598 5305 1 11 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.931 -0.308 17598 5306 1 11 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.928 -0.536 17598 5307 1 11 . 1 1 95 95 ARG H H 95 9.115 9.115 8.817 0.298 17598 5308 1 11 . 1 1 96 96 SER N N 96 115.719 115.719 115.986 -0.267 17598 5309 1 11 . 1 1 96 96 SER HA H 96 5.781 5.781 5.425 0.356 17598 5310 1 11 . 1 1 96 96 SER CA C 96 56.824 56.824 57.537 -0.713 17598 5311 1 11 . 1 1 96 96 SER CB C 96 65.906 65.906 65.116 0.790 17598 5312 1 11 . 1 1 96 96 SER H H 96 8.676 8.676 8.445 0.231 17598 5313 1 11 . 1 1 97 97 LEU N N 97 126.188 126.188 127.416 -1.228 17598 5314 1 11 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.679 0.194 17598 5315 1 11 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.928 1.106 17598 5316 1 11 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.258 1.673 17598 5317 1 11 . 1 1 97 97 LEU H H 97 9.030 9.030 9.011 0.019 17598 5318 1 11 . 1 1 98 98 THR N N 98 113.687 113.687 114.321 -0.634 17598 5319 1 11 . 1 1 98 98 THR HA H 98 4.869 4.869 4.483 0.386 17598 5320 1 11 . 1 1 98 98 THR CA C 98 60.265 60.265 60.774 -0.509 17598 5321 1 11 . 1 1 98 98 THR CB C 98 70.650 70.650 70.126 0.524 17598 5322 1 11 . 1 1 98 98 THR H H 98 8.410 8.410 8.208 0.202 17598 5323 1 11 . 1 1 99 99 LEU N N 99 126.344 126.344 124.356 1.988 17598 5324 1 11 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.056 0.029 17598 5325 1 11 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.148 -0.377 17598 5326 1 11 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.747 0.306 17598 5327 1 11 . 1 1 99 99 LEU H H 99 7.806 7.806 7.924 -0.118 17598 5328 1 11 . 1 1 100 100 LYS N N 100 128.063 128.063 125.670 2.393 17598 5329 1 11 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.173 0.222 17598 5330 1 11 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.946 -1.031 17598 5331 1 11 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.822 0.238 17598 5332 1 11 . 1 1 100 100 LYS H H 100 8.816 8.816 8.476 0.340 17598 5333 1 11 . 1 1 101 101 GLU N N 101 123.531 123.531 125.206 -1.675 17598 5334 1 11 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.260 -0.271 17598 5335 1 11 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.855 -0.885 17598 5336 1 11 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.384 0.206 17598 5337 1 11 . 1 1 101 101 GLU H H 101 8.323 8.323 8.891 -0.568 17598 5338 1 11 . 1 1 102 102 ARG N N 102 122.965 122.965 120.832 2.133 17598 5339 1 11 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.534 -0.167 17598 5340 1 11 . 1 1 102 102 ARG CA C 102 55.774 55.774 55.928 -0.154 17598 5341 1 11 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.670 -0.111 17598 5342 1 11 . 1 1 102 102 ARG H H 102 8.414 8.414 8.244 0.170 17598 5343 1 11 . 1 1 103 103 SER N N 103 117.435 117.435 114.762 2.673 17598 5344 1 11 . 1 1 103 103 SER HA H 103 4.431 4.431 4.679 -0.248 17598 5345 1 11 . 1 1 103 103 SER CA C 103 58.079 58.079 57.679 0.400 17598 5346 1 11 . 1 1 103 103 SER CB C 103 63.554 63.554 63.630 -0.076 17598 5347 1 11 . 1 1 103 103 SER H H 103 8.423 8.423 8.377 0.046 17598 5348 1 11 . 1 1 104 104 LEU N N 104 124.423 124.423 128.082 -3.659 17598 5349 1 11 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.610 -0.286 17598 5350 1 11 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.511 0.612 17598 5351 1 11 . 1 1 104 104 LEU CB C 104 41.989 41.989 43.707 -1.718 17598 5352 1 11 . 1 1 104 104 LEU H H 104 8.369 8.369 8.571 -0.202 17598 5353 1 11 . 1 1 105 105 GLU N N 105 120.875 120.875 119.098 1.777 17598 5354 1 11 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.357 -0.343 17598 5355 1 11 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.120 1.825 17598 5356 1 11 . 1 1 105 105 GLU CB C 105 29.846 29.846 31.272 -1.426 17598 5357 1 11 . 1 1 105 105 GLU H H 105 8.249 8.249 8.582 -0.333 17598 5358 1 11 . 1 1 106 106 HIS N N 106 120.719 120.719 117.085 3.634 17598 5359 1 11 . 1 1 106 106 HIS CA C 106 56.608 56.608 56.592 0.016 17598 5360 1 11 . 1 1 106 106 HIS CB C 106 32.448 32.448 28.264 4.184 17598 5361 1 11 . 1 1 106 106 HIS H H 106 8.274 8.274 8.224 0.050 17598 5362 1 11 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.932 -0.346 17598 5363 1 11 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.332 0.472 17598 5364 1 11 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.738 -0.314 17598 5365 1 11 . 1 1 108 108 HIS N N 108 125.843 125.843 122.650 3.193 17598 5366 1 11 . 1 1 108 108 HIS CA C 108 57.105 57.105 56.789 0.316 17598 5367 1 11 . 1 1 108 108 HIS CB C 108 30.424 30.424 30.542 -0.118 17598 5368 1 11 . 1 1 108 108 HIS H H 108 7.941 7.941 8.669 -0.728 17598 5369 1 12 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.741 -0.366 17598 5370 1 12 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.113 1.237 17598 5371 1 12 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.548 -0.500 17598 5372 1 12 . 1 1 3 3 THR N N 3 114.937 114.937 114.063 0.874 17598 5373 1 12 . 1 1 3 3 THR HA H 3 4.205 4.205 4.444 -0.239 17598 5374 1 12 . 1 1 3 3 THR CA C 3 62.493 62.493 62.061 0.432 17598 5375 1 12 . 1 1 3 3 THR CB C 3 69.391 69.391 70.060 -0.669 17598 5376 1 12 . 1 1 3 3 THR H H 3 8.316 8.316 8.220 0.096 17598 5377 1 12 . 1 1 4 4 VAL N N 4 122.438 122.438 122.668 -0.230 17598 5378 1 12 . 1 1 4 4 VAL HA H 4 4.068 4.068 3.941 0.127 17598 5379 1 12 . 1 1 4 4 VAL CA C 4 62.493 62.493 63.410 -0.917 17598 5380 1 12 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.056 0.302 17598 5381 1 12 . 1 1 4 4 VAL H H 4 7.953 7.953 8.211 -0.258 17598 5382 1 12 . 1 1 5 5 ARG N N 5 124.781 124.781 117.814 6.967 17598 5383 1 12 . 1 1 5 5 ARG HA H 5 4.350 4.350 3.956 0.394 17598 5384 1 12 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.667 -0.825 17598 5385 1 12 . 1 1 5 5 ARG CB C 5 30.643 30.643 28.062 2.581 17598 5386 1 12 . 1 1 5 5 ARG H H 5 8.319 8.319 8.347 -0.028 17598 5387 1 12 . 1 1 6 6 GLN N N 6 121.656 121.656 118.642 3.014 17598 5388 1 12 . 1 1 6 6 GLN CA C 6 55.842 55.842 56.547 -0.705 17598 5389 1 12 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.441 -0.252 17598 5390 1 12 . 1 1 6 6 GLN H H 6 8.373 8.373 7.989 0.384 17598 5391 1 12 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.460 -0.651 17598 5392 1 12 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.344 -0.513 17598 5393 1 12 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.624 -3.561 17598 5394 1 12 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.549 0.180 17598 5395 1 12 . 1 1 8 8 GLY H H 8 8.407 8.407 8.426 -0.019 17598 5396 1 12 . 1 1 9 9 ASN N N 9 118.812 118.812 119.062 -0.250 17598 5397 1 12 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.546 0.170 17598 5398 1 12 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.910 -1.027 17598 5399 1 12 . 1 1 9 9 ASN CB C 9 38.892 38.892 37.802 1.090 17598 5400 1 12 . 1 1 9 9 ASN H H 9 8.337 8.337 8.404 -0.067 17598 5401 1 12 . 1 1 10 10 LYS N N 10 122.131 122.131 123.934 -1.803 17598 5402 1 12 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.554 -0.222 17598 5403 1 12 . 1 1 10 10 LYS CA C 10 55.970 55.970 55.426 0.544 17598 5404 1 12 . 1 1 10 10 LYS CB C 10 32.574 32.574 34.666 -2.092 17598 5405 1 12 . 1 1 10 10 LYS H H 10 8.253 8.253 8.448 -0.195 17598 5406 1 12 . 1 1 11 11 VAL N N 11 123.026 123.026 118.559 4.467 17598 5407 1 12 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.557 -0.421 17598 5408 1 12 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.260 0.745 17598 5409 1 12 . 1 1 11 11 VAL CB C 11 32.822 32.822 32.869 -0.047 17598 5410 1 12 . 1 1 11 11 VAL H H 11 8.428 8.428 8.440 -0.012 17598 5411 1 12 . 1 1 12 12 ILE N N 12 127.174 127.174 122.964 4.210 17598 5412 1 12 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.324 -0.220 17598 5413 1 12 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.981 -0.979 17598 5414 1 12 . 1 1 12 12 ILE CB C 12 37.733 37.733 37.697 0.036 17598 5415 1 12 . 1 1 12 12 ILE H H 12 8.345 8.345 8.268 0.077 17598 5416 1 12 . 1 1 13 13 LYS N N 13 122.906 122.906 125.167 -2.261 17598 5417 1 12 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.504 -0.687 17598 5418 1 12 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.587 -0.630 17598 5419 1 12 . 1 1 13 13 LYS CB C 13 32.517 32.517 31.845 0.672 17598 5420 1 12 . 1 1 13 13 LYS H H 13 7.662 7.662 8.212 -0.550 17598 5421 1 12 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.384 -0.459 17598 5422 1 12 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.307 0.230 17598 5423 1 12 . 1 1 14 14 PRO CB C 14 31.593 31.593 32.235 -0.642 17598 5424 1 12 . 1 1 15 15 ASP N N 15 121.969 121.969 120.813 1.156 17598 5425 1 12 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.778 -0.255 17598 5426 1 12 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.199 -0.225 17598 5427 1 12 . 1 1 15 15 ASP CB C 15 40.470 40.470 40.306 0.164 17598 5428 1 12 . 1 1 15 15 ASP H H 15 8.607 8.607 8.386 0.221 17598 5429 1 12 . 1 1 16 16 GLU N N 16 126.813 126.813 121.936 4.877 17598 5430 1 12 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.000 0.192 17598 5431 1 12 . 1 1 16 16 GLU CA C 16 57.651 57.651 58.973 -1.322 17598 5432 1 12 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.878 -0.671 17598 5433 1 12 . 1 1 16 16 GLU H H 16 9.032 9.032 8.605 0.427 17598 5434 1 12 . 1 1 17 17 THR N N 17 110.875 110.875 108.915 1.960 17598 5435 1 12 . 1 1 17 17 THR HA H 17 4.313 4.313 4.129 0.184 17598 5436 1 12 . 1 1 17 17 THR CA C 17 61.660 61.660 63.138 -1.478 17598 5437 1 12 . 1 1 17 17 THR CB C 17 69.392 69.392 69.245 0.147 17598 5438 1 12 . 1 1 17 17 THR H H 17 8.453 8.453 8.206 0.247 17598 5439 1 12 . 1 1 18 18 ARG N N 18 124.313 124.313 121.681 2.632 17598 5440 1 12 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.475 -0.368 17598 5441 1 12 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.497 0.436 17598 5442 1 12 . 1 1 18 18 ARG CB C 18 31.021 31.021 31.811 -0.790 17598 5443 1 12 . 1 1 18 18 ARG H H 18 6.969 6.969 7.498 -0.529 17598 5444 1 12 . 1 1 19 19 VAL N N 19 127.750 127.750 120.400 7.350 17598 5445 1 12 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.204 -0.411 17598 5446 1 12 . 1 1 19 19 VAL CA C 19 62.530 62.530 61.053 1.477 17598 5447 1 12 . 1 1 19 19 VAL CB C 19 31.021 31.021 33.666 -2.645 17598 5448 1 12 . 1 1 19 19 VAL H H 19 8.494 8.494 8.387 0.107 17598 5449 1 12 . 1 1 20 20 LYS N N 20 129.005 129.005 124.557 4.448 17598 5450 1 12 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.454 -0.372 17598 5451 1 12 . 1 1 20 20 LYS CA C 20 56.797 56.797 56.985 -0.188 17598 5452 1 12 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.927 0.098 17598 5453 1 12 . 1 1 20 20 LYS H H 20 8.406 8.406 8.405 0.001 17598 5454 1 12 . 1 1 21 21 GLN N N 21 122.125 122.125 116.816 5.309 17598 5455 1 12 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.572 -0.141 17598 5456 1 12 . 1 1 21 21 GLN CA C 21 56.697 56.697 55.112 1.585 17598 5457 1 12 . 1 1 21 21 GLN CB C 21 29.207 29.207 30.874 -1.667 17598 5458 1 12 . 1 1 21 21 GLN H H 21 9.783 9.783 7.722 2.061 17598 5459 1 12 . 1 1 22 22 PHE N N 22 126.785 126.785 120.418 6.367 17598 5460 1 12 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.479 -0.187 17598 5461 1 12 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.142 1.764 17598 5462 1 12 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.287 -0.182 17598 5463 1 12 . 1 1 22 22 PHE H H 22 9.214 9.214 8.651 0.563 17598 5464 1 12 . 1 1 23 23 LEU N N 23 115.846 115.846 118.390 -2.544 17598 5465 1 12 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.053 0.067 17598 5466 1 12 . 1 1 23 23 LEU CA C 23 56.358 56.358 55.807 0.551 17598 5467 1 12 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.599 -0.501 17598 5468 1 12 . 1 1 23 23 LEU H H 23 9.173 9.173 8.127 1.046 17598 5469 1 12 . 1 1 24 24 GLU N N 24 117.032 117.032 117.883 -0.851 17598 5470 1 12 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.458 0.353 17598 5471 1 12 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.603 -0.948 17598 5472 1 12 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.391 -0.093 17598 5473 1 12 . 1 1 24 24 GLU H H 24 7.789 7.789 8.422 -0.633 17598 5474 1 12 . 1 1 25 25 GLY N N 25 105.050 105.050 106.087 -1.037 17598 5475 1 12 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.695 -0.288 17598 5476 1 12 . 1 1 25 25 GLY H H 25 7.640 7.640 7.653 -0.013 17598 5477 1 12 . 1 1 26 26 PHE N N 26 115.467 115.467 117.930 -2.463 17598 5478 1 12 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.722 -0.218 17598 5479 1 12 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.730 -0.203 17598 5480 1 12 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.525 1.592 17598 5481 1 12 . 1 1 26 26 PHE H H 26 6.508 6.508 7.594 -1.086 17598 5482 1 12 . 1 1 27 27 ASN N N 27 118.006 118.006 117.351 0.655 17598 5483 1 12 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.485 0.003 17598 5484 1 12 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.865 -1.836 17598 5485 1 12 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.810 -1.093 17598 5486 1 12 . 1 1 27 27 ASN H H 27 8.788 8.788 8.644 0.144 17598 5487 1 12 . 1 1 28 28 ILE N N 28 129.126 129.126 122.083 7.043 17598 5488 1 12 . 1 1 28 28 ILE HA H 28 3.688 3.688 4.030 -0.342 17598 5489 1 12 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.022 1.885 17598 5490 1 12 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.577 0.466 17598 5491 1 12 . 1 1 28 28 ILE H H 28 9.557 9.557 8.291 1.266 17598 5492 1 12 . 1 1 29 29 GLU N N 29 120.068 120.068 118.847 1.221 17598 5493 1 12 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.138 0.091 17598 5494 1 12 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.329 0.018 17598 5495 1 12 . 1 1 29 29 GLU CB C 29 28.129 28.129 29.431 -1.302 17598 5496 1 12 . 1 1 29 29 GLU H H 29 9.064 9.064 8.646 0.418 17598 5497 1 12 . 1 1 30 30 THR N N 30 109.404 109.404 110.728 -1.324 17598 5498 1 12 . 1 1 30 30 THR HA H 30 4.303 4.303 3.988 0.315 17598 5499 1 12 . 1 1 30 30 THR CA C 30 62.079 62.079 63.224 -1.145 17598 5500 1 12 . 1 1 30 30 THR CB C 30 69.583 69.583 68.692 0.891 17598 5501 1 12 . 1 1 30 30 THR H H 30 7.789 7.789 7.837 -0.048 17598 5502 1 12 . 1 1 31 31 PHE N N 31 120.250 120.250 120.244 0.006 17598 5503 1 12 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.877 0.549 17598 5504 1 12 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.760 -0.304 17598 5505 1 12 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.181 -0.188 17598 5506 1 12 . 1 1 31 31 PHE H H 31 7.236 7.236 7.056 0.180 17598 5507 1 12 . 1 1 32 32 GLU N N 32 118.531 118.531 120.160 -1.629 17598 5508 1 12 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.710 0.077 17598 5509 1 12 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.973 -1.044 17598 5510 1 12 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.396 1.297 17598 5511 1 12 . 1 1 32 32 GLU H H 32 8.644 8.644 8.774 -0.130 17598 5512 1 12 . 1 1 33 33 MET N N 33 127.438 127.438 126.760 0.678 17598 5513 1 12 . 1 1 33 33 MET HA H 33 4.643 4.643 4.201 0.442 17598 5514 1 12 . 1 1 33 33 MET CA C 33 56.411 56.411 57.392 -0.981 17598 5515 1 12 . 1 1 33 33 MET CB C 33 32.050 32.050 33.092 -1.042 17598 5516 1 12 . 1 1 33 33 MET H H 33 9.679 9.679 9.218 0.461 17598 5517 1 12 . 1 1 34 34 VAL N N 34 119.176 119.176 126.937 -7.761 17598 5518 1 12 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.429 0.345 17598 5519 1 12 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.365 -0.369 17598 5520 1 12 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.623 -0.774 17598 5521 1 12 . 1 1 34 34 VAL H H 34 8.897 8.897 8.672 0.225 17598 5522 1 12 . 1 1 35 35 GLY N N 35 108.249 108.249 107.630 0.619 17598 5523 1 12 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.644 -0.460 17598 5524 1 12 . 1 1 35 35 GLY H H 35 7.589 7.589 7.906 -0.317 17598 5525 1 12 . 1 1 36 36 THR N N 36 110.562 110.562 112.602 -2.040 17598 5526 1 12 . 1 1 36 36 THR HA H 36 5.088 5.088 4.658 0.430 17598 5527 1 12 . 1 1 36 36 THR CA C 36 60.060 60.060 60.642 -0.581 17598 5528 1 12 . 1 1 36 36 THR CB C 36 72.335 72.335 71.752 0.583 17598 5529 1 12 . 1 1 36 36 THR H H 36 8.300 8.300 8.102 0.198 17598 5530 1 12 . 1 1 37 37 LEU N N 37 122.334 122.334 125.454 -3.120 17598 5531 1 12 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.970 -0.265 17598 5532 1 12 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.653 0.868 17598 5533 1 12 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.673 0.642 17598 5534 1 12 . 1 1 37 37 LEU H H 37 8.886 8.886 9.011 -0.125 17598 5535 1 12 . 1 1 38 38 SER N N 38 119.156 119.156 118.662 0.494 17598 5536 1 12 . 1 1 38 38 SER HA H 38 5.489 5.489 5.553 -0.064 17598 5537 1 12 . 1 1 38 38 SER CA C 38 56.819 56.819 57.306 -0.487 17598 5538 1 12 . 1 1 38 38 SER CB C 38 64.655 64.655 65.280 -0.625 17598 5539 1 12 . 1 1 38 38 SER H H 38 8.694 8.694 8.514 0.180 17598 5540 1 12 . 1 1 39 39 ASN N N 39 124.156 124.156 122.205 1.951 17598 5541 1 12 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.946 -1.142 17598 5542 1 12 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.233 -0.371 17598 5543 1 12 . 1 1 39 39 ASN H H 39 9.068 9.068 8.936 0.132 17598 5544 1 12 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.112 0.055 17598 5545 1 12 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.621 0.105 17598 5546 1 12 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.333 -0.122 17598 5547 1 12 . 1 1 41 41 GLN N N 41 114.937 114.937 117.005 -2.068 17598 5548 1 12 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.192 0.158 17598 5549 1 12 . 1 1 41 41 GLN CA C 41 56.695 56.695 57.213 -0.518 17598 5550 1 12 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.765 -0.777 17598 5551 1 12 . 1 1 41 41 GLN H H 41 8.399 8.399 8.245 0.154 17598 5552 1 12 . 1 1 42 42 GLY N N 42 108.502 108.502 105.914 2.588 17598 5553 1 12 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.392 0.178 17598 5554 1 12 . 1 1 42 42 GLY H H 42 7.892 7.892 8.090 -0.198 17598 5555 1 12 . 1 1 43 43 THR N N 43 116.344 116.344 115.422 0.922 17598 5556 1 12 . 1 1 43 43 THR HA H 43 3.749 3.749 5.084 -1.335 17598 5557 1 12 . 1 1 43 43 THR CA C 43 69.834 69.834 60.526 9.307 17598 5558 1 12 . 1 1 43 43 THR CB C 43 70.316 70.316 70.456 -0.140 17598 5559 1 12 . 1 1 43 43 THR H H 43 7.762 7.762 7.803 -0.041 17598 5560 1 12 . 1 1 44 44 PHE N N 44 123.688 123.688 123.825 -0.137 17598 5561 1 12 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.803 0.303 17598 5562 1 12 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.232 -0.685 17598 5563 1 12 . 1 1 44 44 PHE CB C 44 41.905 41.905 43.212 -1.307 17598 5564 1 12 . 1 1 44 44 PHE H H 44 9.283 9.283 9.200 0.083 17598 5565 1 12 . 1 1 45 45 ALA N N 45 122.438 122.438 123.368 -0.930 17598 5566 1 12 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.869 0.082 17598 5567 1 12 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.569 -0.459 17598 5568 1 12 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.487 0.150 17598 5569 1 12 . 1 1 45 45 ALA H H 45 9.579 9.579 9.286 0.293 17598 5570 1 12 . 1 1 46 46 LEU N N 46 121.500 121.500 124.983 -3.483 17598 5571 1 12 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.425 -0.282 17598 5572 1 12 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.631 -0.649 17598 5573 1 12 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.310 -0.893 17598 5574 1 12 . 1 1 46 46 LEU H H 46 8.472 8.472 8.939 -0.467 17598 5575 1 12 . 1 1 47 47 VAL N N 47 122.125 122.125 122.907 -0.782 17598 5576 1 12 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.568 0.347 17598 5577 1 12 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.101 0.322 17598 5578 1 12 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.675 -0.847 17598 5579 1 12 . 1 1 47 47 VAL H H 47 9.175 9.175 8.910 0.265 17598 5580 1 12 . 1 1 48 48 LYS N N 48 129.000 129.000 123.938 5.062 17598 5581 1 12 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.035 0.163 17598 5582 1 12 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.906 0.820 17598 5583 1 12 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.551 -0.518 17598 5584 1 12 . 1 1 48 48 LYS H H 48 9.675 9.675 8.392 1.283 17598 5585 1 12 . 1 1 49 49 GLY N N 49 113.844 113.844 111.370 2.474 17598 5586 1 12 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.532 -0.656 17598 5587 1 12 . 1 1 49 49 GLY H H 49 8.792 8.792 8.206 0.586 17598 5588 1 12 . 1 1 50 50 ALA N N 50 123.844 123.844 123.977 -0.133 17598 5589 1 12 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.944 -0.492 17598 5590 1 12 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.434 -0.452 17598 5591 1 12 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.756 0.194 17598 5592 1 12 . 1 1 50 50 ALA H H 50 8.963 8.963 8.605 0.358 17598 5593 1 12 . 1 1 51 51 GLY N N 51 105.406 105.406 110.711 -5.305 17598 5594 1 12 . 1 1 51 51 GLY CA C 51 45.544 45.544 44.895 0.649 17598 5595 1 12 . 1 1 51 51 GLY H H 51 8.582 8.582 8.471 0.111 17598 5596 1 12 . 1 1 52 52 GLY N N 52 108.644 108.644 109.677 -1.033 17598 5597 1 12 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.048 0.101 17598 5598 1 12 . 1 1 52 52 GLY H H 52 7.692 7.692 8.317 -0.625 17598 5599 1 12 . 1 1 53 53 VAL N N 53 121.656 121.656 120.625 1.031 17598 5600 1 12 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.667 -0.080 17598 5601 1 12 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.753 1.992 17598 5602 1 12 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.876 -0.909 17598 5603 1 12 . 1 1 53 53 VAL H H 53 7.928 7.928 8.081 -0.153 17598 5604 1 12 . 1 1 54 54 HIS N N 54 128.219 128.219 123.593 4.626 17598 5605 1 12 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.014 -0.391 17598 5606 1 12 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.091 0.775 17598 5607 1 12 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.016 1.287 17598 5608 1 12 . 1 1 54 54 HIS H H 54 9.188 9.188 8.829 0.359 17598 5609 1 12 . 1 1 55 55 ARG N N 55 122.125 122.125 123.432 -1.307 17598 5610 1 12 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.340 -0.313 17598 5611 1 12 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.858 0.426 17598 5612 1 12 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.093 -1.335 17598 5613 1 12 . 1 1 55 55 ARG H H 55 8.816 8.816 8.604 0.212 17598 5614 1 12 . 1 1 56 56 VAL N N 56 124.229 124.229 117.270 6.959 17598 5615 1 12 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.932 -0.224 17598 5616 1 12 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.162 0.520 17598 5617 1 12 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.989 -0.522 17598 5618 1 12 . 1 1 56 56 VAL H H 56 9.444 9.444 9.029 0.415 17598 5619 1 12 . 1 1 57 57 ARG N N 57 124.554 124.554 123.120 1.434 17598 5620 1 12 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.666 0.157 17598 5621 1 12 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.966 -0.642 17598 5622 1 12 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.642 1.343 17598 5623 1 12 . 1 1 57 57 ARG H H 57 9.124 9.124 7.973 1.151 17598 5624 1 12 . 1 1 58 58 VAL N N 58 120.250 120.250 120.131 0.119 17598 5625 1 12 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.507 -0.152 17598 5626 1 12 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.259 0.187 17598 5627 1 12 . 1 1 58 58 VAL CB C 58 30.932 30.932 31.838 -0.906 17598 5628 1 12 . 1 1 58 58 VAL H H 58 8.327 8.327 8.135 0.192 17598 5629 1 12 . 1 1 59 59 GLY N N 59 117.437 117.437 116.102 1.335 17598 5630 1 12 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.434 0.141 17598 5631 1 12 . 1 1 59 59 GLY H H 59 9.097 9.097 8.599 0.498 17598 5632 1 12 . 1 1 60 60 ASP N N 60 121.031 121.031 122.507 -1.476 17598 5633 1 12 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.566 0.385 17598 5634 1 12 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.757 -1.415 17598 5635 1 12 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.617 0.141 17598 5636 1 12 . 1 1 60 60 ASP H H 60 7.800 7.800 8.011 -0.211 17598 5637 1 12 . 1 1 61 61 TYR N N 61 115.406 115.406 115.361 0.045 17598 5638 1 12 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.337 0.253 17598 5639 1 12 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.895 -0.103 17598 5640 1 12 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.703 -0.133 17598 5641 1 12 . 1 1 61 61 TYR H H 61 7.834 7.834 8.330 -0.496 17598 5642 1 12 . 1 1 62 62 LEU N N 62 117.750 117.750 115.464 2.286 17598 5643 1 12 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.879 -0.578 17598 5644 1 12 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.390 -0.393 17598 5645 1 12 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.470 1.300 17598 5646 1 12 . 1 1 62 62 LEU H H 62 9.362 9.362 8.807 0.555 17598 5647 1 12 . 1 1 63 63 GLY N N 63 107.303 107.303 107.200 0.103 17598 5648 1 12 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.540 -1.252 17598 5649 1 12 . 1 1 63 63 GLY H H 63 7.945 7.945 8.127 -0.182 17598 5650 1 12 . 1 1 64 64 ARG N N 64 113.687 113.687 120.216 -6.529 17598 5651 1 12 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.370 0.071 17598 5652 1 12 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.150 0.119 17598 5653 1 12 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.565 0.181 17598 5654 1 12 . 1 1 64 64 ARG H H 64 8.424 8.424 8.495 -0.071 17598 5655 1 12 . 1 1 65 65 ASN N N 65 121.626 121.626 117.139 4.487 17598 5656 1 12 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.813 0.686 17598 5657 1 12 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.764 0.591 17598 5658 1 12 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.190 1.326 17598 5659 1 12 . 1 1 65 65 ASN H H 65 9.529 9.529 7.980 1.549 17598 5660 1 12 . 1 1 66 66 ASP N N 66 116.656 116.656 117.432 -0.776 17598 5661 1 12 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.295 -0.396 17598 5662 1 12 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.415 -0.627 17598 5663 1 12 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.054 0.366 17598 5664 1 12 . 1 1 66 66 ASP H H 66 9.397 9.397 7.878 1.519 17598 5665 1 12 . 1 1 67 67 GLY N N 67 100.587 100.587 105.697 -5.110 17598 5666 1 12 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.312 2.699 17598 5667 1 12 . 1 1 67 67 GLY H H 67 7.424 7.424 8.283 -0.859 17598 5668 1 12 . 1 1 68 68 LYS N N 68 130.952 130.952 127.461 3.491 17598 5669 1 12 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.774 -0.926 17598 5670 1 12 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.080 -0.101 17598 5671 1 12 . 1 1 68 68 LYS CB C 68 34.457 34.457 35.057 -0.600 17598 5672 1 12 . 1 1 68 68 LYS H H 68 8.121 8.121 8.672 -0.551 17598 5673 1 12 . 1 1 69 69 VAL N N 69 126.813 126.813 126.243 0.570 17598 5674 1 12 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.862 0.250 17598 5675 1 12 . 1 1 69 69 VAL CA C 69 63.283 63.283 63.937 -0.654 17598 5676 1 12 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.085 -0.351 17598 5677 1 12 . 1 1 69 69 VAL H H 69 9.113 9.113 8.376 0.737 17598 5678 1 12 . 1 1 70 70 VAL N N 70 122.594 122.594 123.426 -0.832 17598 5679 1 12 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.575 0.030 17598 5680 1 12 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.645 -0.748 17598 5681 1 12 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.458 -0.815 17598 5682 1 12 . 1 1 70 70 VAL H H 70 8.968 8.968 8.482 0.486 17598 5683 1 12 . 1 1 71 71 GLY N N 71 110.562 110.562 109.585 0.977 17598 5684 1 12 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.350 1.849 17598 5685 1 12 . 1 1 71 71 GLY H H 71 7.638 7.638 7.975 -0.337 17598 5686 1 12 . 1 1 72 72 ILE N N 72 123.063 123.063 122.251 0.812 17598 5687 1 12 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.281 0.178 17598 5688 1 12 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.704 0.670 17598 5689 1 12 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.243 3.138 17598 5690 1 12 . 1 1 72 72 ILE H H 72 8.404 8.404 8.420 -0.016 17598 5691 1 12 . 1 1 73 73 SER N N 73 123.531 123.531 123.241 0.290 17598 5692 1 12 . 1 1 73 73 SER HA H 73 4.723 4.723 4.768 -0.045 17598 5693 1 12 . 1 1 73 73 SER CA C 73 56.220 56.220 56.788 -0.568 17598 5694 1 12 . 1 1 73 73 SER CB C 73 65.450 65.450 64.176 1.274 17598 5695 1 12 . 1 1 73 73 SER H H 73 8.801 8.801 8.715 0.086 17598 5696 1 12 . 1 1 74 74 GLU N N 74 116.656 116.656 117.957 -1.301 17598 5697 1 12 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.336 -0.032 17598 5698 1 12 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.939 -1.209 17598 5699 1 12 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.352 -1.250 17598 5700 1 12 . 1 1 74 74 GLU H H 74 8.537 8.537 8.480 0.057 17598 5701 1 12 . 1 1 75 75 GLY N N 75 102.989 102.989 106.337 -3.348 17598 5702 1 12 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.993 0.025 17598 5703 1 12 . 1 1 75 75 GLY H H 75 8.124 8.124 8.024 0.100 17598 5704 1 12 . 1 1 76 76 LYS N N 76 120.094 120.094 117.498 2.596 17598 5705 1 12 . 1 1 76 76 LYS HA H 76 5.261 5.261 4.995 0.266 17598 5706 1 12 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.558 1.043 17598 5707 1 12 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.506 0.905 17598 5708 1 12 . 1 1 76 76 LYS H H 76 7.546 7.546 7.612 -0.066 17598 5709 1 12 . 1 1 77 77 ILE N N 77 121.344 121.344 121.355 -0.011 17598 5710 1 12 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.557 -0.007 17598 5711 1 12 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.425 -0.578 17598 5712 1 12 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.997 0.619 17598 5713 1 12 . 1 1 77 77 ILE H H 77 8.776 8.776 8.406 0.370 17598 5714 1 12 . 1 1 78 78 ASP N N 78 126.813 126.813 129.581 -2.768 17598 5715 1 12 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.028 0.173 17598 5716 1 12 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.856 -0.736 17598 5717 1 12 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.487 1.465 17598 5718 1 12 . 1 1 78 78 ASP H H 78 8.964 8.964 8.293 0.671 17598 5719 1 12 . 1 1 79 79 VAL N N 79 124.156 124.156 117.182 6.974 17598 5720 1 12 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.103 0.076 17598 5721 1 12 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.530 -0.256 17598 5722 1 12 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.406 -0.327 17598 5723 1 12 . 1 1 79 79 VAL H H 79 9.060 9.060 9.086 -0.026 17598 5724 1 12 . 1 1 80 80 ILE N N 80 126.656 126.656 122.650 4.006 17598 5725 1 12 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.695 -0.200 17598 5726 1 12 . 1 1 80 80 ILE CA C 80 61.183 61.183 58.875 2.308 17598 5727 1 12 . 1 1 80 80 ILE CB C 80 39.287 39.287 38.474 0.813 17598 5728 1 12 . 1 1 80 80 ILE H H 80 8.812 8.812 8.955 -0.143 17598 5729 1 12 . 1 1 81 81 GLU N N 81 126.656 126.656 127.759 -1.103 17598 5730 1 12 . 1 1 81 81 GLU HA H 81 4.622 4.622 5.124 -0.502 17598 5731 1 12 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.735 0.339 17598 5732 1 12 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.222 -0.579 17598 5733 1 12 . 1 1 81 81 GLU H H 81 8.283 8.283 8.686 -0.403 17598 5734 1 12 . 1 1 82 82 ILE N N 82 120.094 120.094 119.830 0.264 17598 5735 1 12 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.253 -0.220 17598 5736 1 12 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.408 1.820 17598 5737 1 12 . 1 1 82 82 ILE CB C 82 39.038 39.038 39.709 -0.671 17598 5738 1 12 . 1 1 82 82 ILE H H 82 8.252 8.252 8.506 -0.254 17598 5739 1 12 . 1 1 83 83 VAL N N 83 120.094 120.094 125.292 -5.198 17598 5740 1 12 . 1 1 83 83 VAL HA H 83 5.222 5.222 4.867 0.355 17598 5741 1 12 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.798 -0.575 17598 5742 1 12 . 1 1 83 83 VAL CB C 83 33.593 33.593 36.179 -2.587 17598 5743 1 12 . 1 1 83 83 VAL H H 83 9.201 9.201 9.061 0.140 17598 5744 1 12 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.870 0.505 17598 5745 1 12 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.711 -0.669 17598 5746 1 12 . 1 1 84 84 PRO CB C 84 31.857 31.857 31.893 -0.036 17598 5747 1 12 . 1 1 85 85 ASP N N 85 120.250 120.250 121.891 -1.641 17598 5748 1 12 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.494 0.011 17598 5749 1 12 . 1 1 85 85 ASP CA C 85 52.497 52.497 53.932 -1.435 17598 5750 1 12 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.656 -0.422 17598 5751 1 12 . 1 1 85 85 ASP H H 85 8.083 8.083 8.300 -0.217 17598 5752 1 12 . 1 1 86 86 GLY N N 86 109.156 109.156 107.538 1.618 17598 5753 1 12 . 1 1 86 86 GLY CA C 86 45.052 45.052 44.989 0.063 17598 5754 1 12 . 1 1 86 86 GLY H H 86 8.160 8.160 8.211 -0.051 17598 5755 1 12 . 1 1 87 87 GLU N N 87 120.719 120.719 122.211 -1.492 17598 5756 1 12 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.337 0.104 17598 5757 1 12 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.234 -1.255 17598 5758 1 12 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.184 -0.022 17598 5759 1 12 . 1 1 87 87 GLU H H 87 8.663 8.663 8.746 -0.083 17598 5760 1 12 . 1 1 88 88 GLY N N 88 109.312 109.312 106.284 3.028 17598 5761 1 12 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.478 0.287 17598 5762 1 12 . 1 1 88 88 GLY H H 88 8.417 8.417 8.123 0.294 17598 5763 1 12 . 1 1 89 89 ASN N N 89 119.625 119.625 120.174 -0.549 17598 5764 1 12 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.904 0.093 17598 5765 1 12 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.621 -1.651 17598 5766 1 12 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.494 0.594 17598 5767 1 12 . 1 1 89 89 ASN H H 89 8.331 8.331 7.941 0.390 17598 5768 1 12 . 1 1 90 90 TRP N N 90 121.188 121.188 121.025 0.163 17598 5769 1 12 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.025 0.136 17598 5770 1 12 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.847 -0.077 17598 5771 1 12 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.238 1.023 17598 5772 1 12 . 1 1 90 90 TRP H H 90 8.538 8.538 8.531 0.007 17598 5773 1 12 . 1 1 91 91 LEU N N 91 121.031 121.031 120.463 0.568 17598 5774 1 12 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.815 0.000 17598 5775 1 12 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.869 0.487 17598 5776 1 12 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.536 -1.293 17598 5777 1 12 . 1 1 91 91 LEU H H 91 9.518 9.518 8.920 0.598 17598 5778 1 12 . 1 1 92 92 GLU N N 92 119.156 119.156 121.447 -2.291 17598 5779 1 12 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.967 0.085 17598 5780 1 12 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.278 -0.918 17598 5781 1 12 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.578 0.824 17598 5782 1 12 . 1 1 92 92 GLU H H 92 8.490 8.490 8.623 -0.133 17598 5783 1 12 . 1 1 93 93 ARG N N 93 124.938 124.938 122.725 2.213 17598 5784 1 12 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.816 0.248 17598 5785 1 12 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.912 -0.218 17598 5786 1 12 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.516 2.645 17598 5787 1 12 . 1 1 93 93 ARG H H 93 9.283 9.283 8.872 0.411 17598 5788 1 12 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.489 0.754 17598 5789 1 12 . 1 1 94 94 PRO CA C 94 62.253 62.253 63.158 -0.906 17598 5790 1 12 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.496 1.078 17598 5791 1 12 . 1 1 95 95 ARG N N 95 120.416 120.416 124.382 -3.966 17598 5792 1 12 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.806 -0.110 17598 5793 1 12 . 1 1 95 95 ARG CA C 95 54.623 54.623 53.828 0.795 17598 5794 1 12 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.854 -0.462 17598 5795 1 12 . 1 1 95 95 ARG H H 95 9.115 9.115 8.796 0.319 17598 5796 1 12 . 1 1 96 96 SER N N 96 115.719 115.719 113.047 2.672 17598 5797 1 12 . 1 1 96 96 SER HA H 96 5.781 5.781 5.261 0.520 17598 5798 1 12 . 1 1 96 96 SER CA C 96 56.824 56.824 56.949 -0.125 17598 5799 1 12 . 1 1 96 96 SER CB C 96 65.906 65.906 65.257 0.649 17598 5800 1 12 . 1 1 96 96 SER H H 96 8.676 8.676 8.359 0.317 17598 5801 1 12 . 1 1 97 97 LEU N N 97 126.188 126.188 124.746 1.442 17598 5802 1 12 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.784 0.089 17598 5803 1 12 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.616 1.418 17598 5804 1 12 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.827 1.104 17598 5805 1 12 . 1 1 97 97 LEU H H 97 9.030 9.030 8.841 0.189 17598 5806 1 12 . 1 1 98 98 THR N N 98 113.687 113.687 114.273 -0.586 17598 5807 1 12 . 1 1 98 98 THR HA H 98 4.869 4.869 4.438 0.431 17598 5808 1 12 . 1 1 98 98 THR CA C 98 60.265 60.265 61.205 -0.939 17598 5809 1 12 . 1 1 98 98 THR CB C 98 70.650 70.650 69.945 0.705 17598 5810 1 12 . 1 1 98 98 THR H H 98 8.410 8.410 8.313 0.097 17598 5811 1 12 . 1 1 99 99 LEU N N 99 126.344 126.344 124.898 1.446 17598 5812 1 12 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.049 0.036 17598 5813 1 12 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.091 -0.320 17598 5814 1 12 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.290 0.763 17598 5815 1 12 . 1 1 99 99 LEU H H 99 7.806 7.806 8.298 -0.492 17598 5816 1 12 . 1 1 100 100 LYS N N 100 128.063 128.063 127.714 0.349 17598 5817 1 12 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.235 0.160 17598 5818 1 12 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.586 -0.671 17598 5819 1 12 . 1 1 100 100 LYS CB C 100 33.060 33.060 33.247 -0.187 17598 5820 1 12 . 1 1 100 100 LYS H H 100 8.816 8.816 7.840 0.976 17598 5821 1 12 . 1 1 101 101 GLU N N 101 123.531 123.531 123.261 0.270 17598 5822 1 12 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.330 -0.341 17598 5823 1 12 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.104 0.866 17598 5824 1 12 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.617 -0.028 17598 5825 1 12 . 1 1 101 101 GLU H H 101 8.323 8.323 8.497 -0.174 17598 5826 1 12 . 1 1 102 102 ARG N N 102 122.965 122.965 125.224 -2.259 17598 5827 1 12 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.117 0.250 17598 5828 1 12 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.835 -1.061 17598 5829 1 12 . 1 1 102 102 ARG CB C 102 30.559 30.559 29.908 0.651 17598 5830 1 12 . 1 1 102 102 ARG H H 102 8.414 8.414 8.601 -0.187 17598 5831 1 12 . 1 1 103 103 SER N N 103 117.435 117.435 115.630 1.805 17598 5832 1 12 . 1 1 103 103 SER HA H 103 4.431 4.431 4.537 -0.106 17598 5833 1 12 . 1 1 103 103 SER CA C 103 58.079 58.079 57.044 1.035 17598 5834 1 12 . 1 1 103 103 SER CB C 103 63.554 63.554 65.717 -2.163 17598 5835 1 12 . 1 1 103 103 SER H H 103 8.423 8.423 8.148 0.275 17598 5836 1 12 . 1 1 104 104 LEU N N 104 124.423 124.423 122.469 1.954 17598 5837 1 12 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.610 -0.286 17598 5838 1 12 . 1 1 104 104 LEU CA C 104 55.124 55.124 55.009 0.115 17598 5839 1 12 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.739 -0.750 17598 5840 1 12 . 1 1 104 104 LEU H H 104 8.369 8.369 8.456 -0.087 17598 5841 1 12 . 1 1 105 105 GLU N N 105 120.875 120.875 121.301 -0.426 17598 5842 1 12 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.231 -0.217 17598 5843 1 12 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.237 2.708 17598 5844 1 12 . 1 1 105 105 GLU CB C 105 29.846 29.846 31.078 -1.232 17598 5845 1 12 . 1 1 105 105 GLU H H 105 8.249 8.249 8.534 -0.285 17598 5846 1 12 . 1 1 106 106 HIS N N 106 120.719 120.719 117.941 2.778 17598 5847 1 12 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.187 1.421 17598 5848 1 12 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.846 1.602 17598 5849 1 12 . 1 1 106 106 HIS H H 106 8.274 8.274 7.853 0.421 17598 5850 1 12 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.795 -0.209 17598 5851 1 12 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.687 0.117 17598 5852 1 12 . 1 1 107 107 HIS CB C 107 30.424 30.424 31.872 -1.448 17598 5853 1 12 . 1 1 108 108 HIS N N 108 125.843 125.843 119.191 6.652 17598 5854 1 12 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.475 1.630 17598 5855 1 12 . 1 1 108 108 HIS CB C 108 30.424 30.424 32.001 -1.577 17598 5856 1 12 . 1 1 108 108 HIS H H 108 7.941 7.941 8.680 -0.739 17598 5857 1 13 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.680 -0.305 17598 5858 1 13 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.901 0.449 17598 5859 1 13 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.636 -0.588 17598 5860 1 13 . 1 1 3 3 THR N N 3 114.937 114.937 115.748 -0.811 17598 5861 1 13 . 1 1 3 3 THR HA H 3 4.205 4.205 4.531 -0.326 17598 5862 1 13 . 1 1 3 3 THR CA C 3 62.493 62.493 61.959 0.534 17598 5863 1 13 . 1 1 3 3 THR CB C 3 69.391 69.391 69.931 -0.540 17598 5864 1 13 . 1 1 3 3 THR H H 3 8.316 8.316 8.352 -0.036 17598 5865 1 13 . 1 1 4 4 VAL N N 4 122.438 122.438 126.280 -3.842 17598 5866 1 13 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.242 -0.174 17598 5867 1 13 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.076 0.417 17598 5868 1 13 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.315 0.043 17598 5869 1 13 . 1 1 4 4 VAL H H 4 7.953 7.953 8.410 -0.457 17598 5870 1 13 . 1 1 5 5 ARG N N 5 124.781 124.781 128.736 -3.955 17598 5871 1 13 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.589 -0.239 17598 5872 1 13 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.799 0.043 17598 5873 1 13 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.074 0.569 17598 5874 1 13 . 1 1 5 5 ARG H H 5 8.319 8.319 8.757 -0.438 17598 5875 1 13 . 1 1 6 6 GLN N N 6 121.656 121.656 120.830 0.826 17598 5876 1 13 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.343 0.499 17598 5877 1 13 . 1 1 6 6 GLN CB C 6 29.189 29.189 32.086 -2.897 17598 5878 1 13 . 1 1 6 6 GLN H H 6 8.373 8.373 8.148 0.225 17598 5879 1 13 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.577 -0.768 17598 5880 1 13 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.820 -0.988 17598 5881 1 13 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.977 -3.914 17598 5882 1 13 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.772 -0.043 17598 5883 1 13 . 1 1 8 8 GLY H H 8 8.407 8.407 8.449 -0.042 17598 5884 1 13 . 1 1 9 9 ASN N N 9 118.812 118.812 120.151 -1.339 17598 5885 1 13 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.691 0.025 17598 5886 1 13 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.419 0.464 17598 5887 1 13 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.561 -0.669 17598 5888 1 13 . 1 1 9 9 ASN H H 9 8.337 8.337 8.480 -0.143 17598 5889 1 13 . 1 1 10 10 LYS N N 10 122.131 122.131 124.585 -2.454 17598 5890 1 13 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.480 -0.148 17598 5891 1 13 . 1 1 10 10 LYS CA C 10 55.970 55.970 55.985 -0.015 17598 5892 1 13 . 1 1 10 10 LYS CB C 10 32.574 32.574 31.587 0.987 17598 5893 1 13 . 1 1 10 10 LYS H H 10 8.253 8.253 8.548 -0.295 17598 5894 1 13 . 1 1 11 11 VAL N N 11 123.026 123.026 117.735 5.291 17598 5895 1 13 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.363 -0.227 17598 5896 1 13 . 1 1 11 11 VAL CA C 11 62.005 62.005 59.877 2.127 17598 5897 1 13 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.558 -1.736 17598 5898 1 13 . 1 1 11 11 VAL H H 11 8.428 8.428 7.298 1.130 17598 5899 1 13 . 1 1 12 12 ILE N N 12 127.174 127.174 121.740 5.434 17598 5900 1 13 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.170 -0.066 17598 5901 1 13 . 1 1 12 12 ILE CA C 12 60.002 60.002 62.368 -2.366 17598 5902 1 13 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.168 -0.435 17598 5903 1 13 . 1 1 12 12 ILE H H 12 8.345 8.345 8.174 0.171 17598 5904 1 13 . 1 1 13 13 LYS N N 13 122.906 122.906 123.390 -0.484 17598 5905 1 13 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.708 -0.891 17598 5906 1 13 . 1 1 13 13 LYS CA C 13 53.957 53.957 53.802 0.155 17598 5907 1 13 . 1 1 13 13 LYS CB C 13 32.517 32.517 34.026 -1.509 17598 5908 1 13 . 1 1 13 13 LYS H H 13 7.662 7.662 8.205 -0.543 17598 5909 1 13 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.322 -0.397 17598 5910 1 13 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.216 0.321 17598 5911 1 13 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.934 -0.341 17598 5912 1 13 . 1 1 15 15 ASP N N 15 121.969 121.969 121.017 0.952 17598 5913 1 13 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.411 0.112 17598 5914 1 13 . 1 1 15 15 ASP CA C 15 52.974 52.974 54.276 -1.302 17598 5915 1 13 . 1 1 15 15 ASP CB C 15 40.470 40.470 40.553 -0.083 17598 5916 1 13 . 1 1 15 15 ASP H H 15 8.607 8.607 8.263 0.344 17598 5917 1 13 . 1 1 16 16 GLU N N 16 126.813 126.813 122.515 4.298 17598 5918 1 13 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.128 0.064 17598 5919 1 13 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.269 0.382 17598 5920 1 13 . 1 1 16 16 GLU CB C 16 29.207 29.207 30.106 -0.899 17598 5921 1 13 . 1 1 16 16 GLU H H 16 9.032 9.032 8.645 0.387 17598 5922 1 13 . 1 1 17 17 THR N N 17 110.875 110.875 114.776 -3.901 17598 5923 1 13 . 1 1 17 17 THR HA H 17 4.313 4.313 4.138 0.175 17598 5924 1 13 . 1 1 17 17 THR CA C 17 61.660 61.660 62.365 -0.705 17598 5925 1 13 . 1 1 17 17 THR CB C 17 69.392 69.392 69.054 0.338 17598 5926 1 13 . 1 1 17 17 THR H H 17 8.453 8.453 8.098 0.354 17598 5927 1 13 . 1 1 18 18 ARG N N 18 124.313 124.313 120.257 4.056 17598 5928 1 13 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.192 -0.085 17598 5929 1 13 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.472 -0.539 17598 5930 1 13 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.635 0.386 17598 5931 1 13 . 1 1 18 18 ARG H H 18 6.969 6.969 7.603 -0.634 17598 5932 1 13 . 1 1 19 19 VAL N N 19 127.750 127.750 116.130 11.620 17598 5933 1 13 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.949 -0.155 17598 5934 1 13 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.392 -0.862 17598 5935 1 13 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.451 -1.430 17598 5936 1 13 . 1 1 19 19 VAL H H 19 8.494 8.494 8.072 0.422 17598 5937 1 13 . 1 1 20 20 LYS N N 20 129.005 129.005 123.511 5.494 17598 5938 1 13 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.576 -0.494 17598 5939 1 13 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.183 1.614 17598 5940 1 13 . 1 1 20 20 LYS CB C 20 33.025 33.025 31.901 1.125 17598 5941 1 13 . 1 1 20 20 LYS H H 20 8.406 8.406 8.133 0.273 17598 5942 1 13 . 1 1 21 21 GLN N N 21 122.125 122.125 123.039 -0.914 17598 5943 1 13 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.118 0.313 17598 5944 1 13 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.306 0.390 17598 5945 1 13 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.765 -0.558 17598 5946 1 13 . 1 1 21 21 GLN H H 21 9.783 9.783 8.382 1.401 17598 5947 1 13 . 1 1 22 22 PHE N N 22 126.785 126.785 120.607 6.178 17598 5948 1 13 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.214 0.078 17598 5949 1 13 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.748 1.158 17598 5950 1 13 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.248 -0.143 17598 5951 1 13 . 1 1 22 22 PHE H H 22 9.214 9.214 8.753 0.461 17598 5952 1 13 . 1 1 23 23 LEU N N 23 115.846 115.846 118.331 -2.485 17598 5953 1 13 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.568 -0.448 17598 5954 1 13 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.592 -0.234 17598 5955 1 13 . 1 1 23 23 LEU CB C 23 40.097 40.097 41.612 -1.516 17598 5956 1 13 . 1 1 23 23 LEU H H 23 9.173 9.173 7.589 1.584 17598 5957 1 13 . 1 1 24 24 GLU N N 24 117.032 117.032 120.073 -3.041 17598 5958 1 13 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.334 0.477 17598 5959 1 13 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.628 -1.973 17598 5960 1 13 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.021 0.277 17598 5961 1 13 . 1 1 24 24 GLU H H 24 7.789 7.789 8.744 -0.955 17598 5962 1 13 . 1 1 25 25 GLY N N 25 105.050 105.050 106.560 -1.510 17598 5963 1 13 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.899 -0.492 17598 5964 1 13 . 1 1 25 25 GLY H H 25 7.640 7.640 7.520 0.120 17598 5965 1 13 . 1 1 26 26 PHE N N 26 115.467 115.467 118.496 -3.029 17598 5966 1 13 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.661 -0.157 17598 5967 1 13 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.372 -0.845 17598 5968 1 13 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.383 2.734 17598 5969 1 13 . 1 1 26 26 PHE H H 26 6.508 6.508 7.423 -0.915 17598 5970 1 13 . 1 1 27 27 ASN N N 27 118.006 118.006 116.831 1.175 17598 5971 1 13 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.676 -0.188 17598 5972 1 13 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.121 -0.092 17598 5973 1 13 . 1 1 27 27 ASN CB C 27 37.718 37.718 40.485 -2.767 17598 5974 1 13 . 1 1 27 27 ASN H H 27 8.788 8.788 8.418 0.370 17598 5975 1 13 . 1 1 28 28 ILE N N 28 129.126 129.126 121.082 8.044 17598 5976 1 13 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.800 -0.112 17598 5977 1 13 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.766 2.141 17598 5978 1 13 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.730 0.313 17598 5979 1 13 . 1 1 28 28 ILE H H 28 9.557 9.557 8.255 1.302 17598 5980 1 13 . 1 1 29 29 GLU N N 29 120.068 120.068 119.384 0.684 17598 5981 1 13 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.056 0.173 17598 5982 1 13 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.747 -0.400 17598 5983 1 13 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.996 -0.867 17598 5984 1 13 . 1 1 29 29 GLU H H 29 9.064 9.064 8.603 0.461 17598 5985 1 13 . 1 1 30 30 THR N N 30 109.404 109.404 110.169 -0.765 17598 5986 1 13 . 1 1 30 30 THR HA H 30 4.303 4.303 4.093 0.210 17598 5987 1 13 . 1 1 30 30 THR CA C 30 62.079 62.079 63.499 -1.420 17598 5988 1 13 . 1 1 30 30 THR CB C 30 69.583 69.583 68.732 0.851 17598 5989 1 13 . 1 1 30 30 THR H H 30 7.789 7.789 7.785 0.004 17598 5990 1 13 . 1 1 31 31 PHE N N 31 120.250 120.250 120.296 -0.046 17598 5991 1 13 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.891 0.535 17598 5992 1 13 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.692 -0.236 17598 5993 1 13 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.272 -0.279 17598 5994 1 13 . 1 1 31 31 PHE H H 31 7.236 7.236 6.991 0.245 17598 5995 1 13 . 1 1 32 32 GLU N N 32 118.531 118.531 119.479 -0.948 17598 5996 1 13 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.645 0.142 17598 5997 1 13 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.746 -0.817 17598 5998 1 13 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.759 0.934 17598 5999 1 13 . 1 1 32 32 GLU H H 32 8.644 8.644 8.826 -0.182 17598 6000 1 13 . 1 1 33 33 MET N N 33 127.438 127.438 125.935 1.503 17598 6001 1 13 . 1 1 33 33 MET HA H 33 4.643 4.643 4.198 0.445 17598 6002 1 13 . 1 1 33 33 MET CA C 33 56.411 56.411 57.627 -1.216 17598 6003 1 13 . 1 1 33 33 MET CB C 33 32.050 32.050 33.257 -1.207 17598 6004 1 13 . 1 1 33 33 MET H H 33 9.679 9.679 9.145 0.534 17598 6005 1 13 . 1 1 34 34 VAL N N 34 119.176 119.176 126.170 -6.994 17598 6006 1 13 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.446 0.328 17598 6007 1 13 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.072 -0.076 17598 6008 1 13 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.996 -1.147 17598 6009 1 13 . 1 1 34 34 VAL H H 34 8.897 8.897 8.794 0.103 17598 6010 1 13 . 1 1 35 35 GLY N N 35 108.249 108.249 108.101 0.148 17598 6011 1 13 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.541 -0.357 17598 6012 1 13 . 1 1 35 35 GLY H H 35 7.589 7.589 8.071 -0.482 17598 6013 1 13 . 1 1 36 36 THR N N 36 110.562 110.562 113.186 -2.624 17598 6014 1 13 . 1 1 36 36 THR HA H 36 5.088 5.088 4.562 0.526 17598 6015 1 13 . 1 1 36 36 THR CA C 36 60.060 60.060 61.040 -0.980 17598 6016 1 13 . 1 1 36 36 THR CB C 36 72.335 72.335 71.313 1.022 17598 6017 1 13 . 1 1 36 36 THR H H 36 8.300 8.300 8.088 0.212 17598 6018 1 13 . 1 1 37 37 LEU N N 37 122.334 122.334 125.321 -2.987 17598 6019 1 13 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.912 -0.206 17598 6020 1 13 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.257 1.264 17598 6021 1 13 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.745 1.570 17598 6022 1 13 . 1 1 37 37 LEU H H 37 8.886 8.886 8.871 0.015 17598 6023 1 13 . 1 1 38 38 SER N N 38 119.156 119.156 118.333 0.823 17598 6024 1 13 . 1 1 38 38 SER HA H 38 5.489 5.489 5.581 -0.092 17598 6025 1 13 . 1 1 38 38 SER CA C 38 56.819 56.819 57.129 -0.310 17598 6026 1 13 . 1 1 38 38 SER CB C 38 64.655 64.655 65.238 -0.583 17598 6027 1 13 . 1 1 38 38 SER H H 38 8.694 8.694 8.469 0.225 17598 6028 1 13 . 1 1 39 39 ASN N N 39 124.156 124.156 121.877 2.279 17598 6029 1 13 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.299 -1.495 17598 6030 1 13 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.879 -0.016 17598 6031 1 13 . 1 1 39 39 ASN H H 39 9.068 9.068 8.881 0.187 17598 6032 1 13 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.107 0.060 17598 6033 1 13 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.686 0.040 17598 6034 1 13 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.220 -0.009 17598 6035 1 13 . 1 1 41 41 GLN N N 41 114.937 114.937 117.034 -2.097 17598 6036 1 13 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.253 0.097 17598 6037 1 13 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.922 -0.227 17598 6038 1 13 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.767 -0.779 17598 6039 1 13 . 1 1 41 41 GLN H H 41 8.399 8.399 8.314 0.085 17598 6040 1 13 . 1 1 42 42 GLY N N 42 108.502 108.502 105.617 2.885 17598 6041 1 13 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.512 0.059 17598 6042 1 13 . 1 1 42 42 GLY H H 42 7.892 7.892 8.060 -0.168 17598 6043 1 13 . 1 1 43 43 THR N N 43 116.344 116.344 117.955 -1.611 17598 6044 1 13 . 1 1 43 43 THR HA H 43 3.749 3.749 5.063 -1.314 17598 6045 1 13 . 1 1 43 43 THR CA C 43 69.834 69.834 61.345 8.489 17598 6046 1 13 . 1 1 43 43 THR CB C 43 70.316 70.316 69.180 1.136 17598 6047 1 13 . 1 1 43 43 THR H H 43 7.762 7.762 7.915 -0.153 17598 6048 1 13 . 1 1 44 44 PHE N N 44 123.688 123.688 125.251 -1.563 17598 6049 1 13 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.626 0.480 17598 6050 1 13 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.238 -0.691 17598 6051 1 13 . 1 1 44 44 PHE CB C 44 41.905 41.905 41.169 0.736 17598 6052 1 13 . 1 1 44 44 PHE H H 44 9.283 9.283 9.092 0.191 17598 6053 1 13 . 1 1 45 45 ALA N N 45 122.438 122.438 122.942 -0.504 17598 6054 1 13 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.848 0.103 17598 6055 1 13 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.544 -0.434 17598 6056 1 13 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.287 0.350 17598 6057 1 13 . 1 1 45 45 ALA H H 45 9.579 9.579 9.232 0.347 17598 6058 1 13 . 1 1 46 46 LEU N N 46 121.500 121.500 125.580 -4.080 17598 6059 1 13 . 1 1 46 46 LEU HA H 46 5.143 5.143 4.841 0.302 17598 6060 1 13 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.963 -0.981 17598 6061 1 13 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.526 -0.108 17598 6062 1 13 . 1 1 46 46 LEU H H 46 8.472 8.472 8.859 -0.387 17598 6063 1 13 . 1 1 47 47 VAL N N 47 122.125 122.125 123.442 -1.317 17598 6064 1 13 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.413 0.502 17598 6065 1 13 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.323 0.100 17598 6066 1 13 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.384 -0.556 17598 6067 1 13 . 1 1 47 47 VAL H H 47 9.175 9.175 8.892 0.283 17598 6068 1 13 . 1 1 48 48 LYS N N 48 129.000 129.000 124.370 4.630 17598 6069 1 13 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.918 0.280 17598 6070 1 13 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.162 0.564 17598 6071 1 13 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.744 -0.711 17598 6072 1 13 . 1 1 48 48 LYS H H 48 9.675 9.675 8.291 1.384 17598 6073 1 13 . 1 1 49 49 GLY N N 49 113.844 113.844 110.689 3.155 17598 6074 1 13 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.662 -0.786 17598 6075 1 13 . 1 1 49 49 GLY H H 49 8.792 8.792 8.702 0.090 17598 6076 1 13 . 1 1 50 50 ALA N N 50 123.844 123.844 120.579 3.265 17598 6077 1 13 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.430 0.022 17598 6078 1 13 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.492 0.490 17598 6079 1 13 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.530 -0.580 17598 6080 1 13 . 1 1 50 50 ALA H H 50 8.963 8.963 8.825 0.138 17598 6081 1 13 . 1 1 51 51 GLY N N 51 105.406 105.406 102.776 2.630 17598 6082 1 13 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.163 0.381 17598 6083 1 13 . 1 1 51 51 GLY H H 51 8.582 8.582 8.301 0.281 17598 6084 1 13 . 1 1 52 52 GLY N N 52 108.644 108.644 106.752 1.892 17598 6085 1 13 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.848 0.301 17598 6086 1 13 . 1 1 52 52 GLY H H 52 7.692 7.692 7.868 -0.176 17598 6087 1 13 . 1 1 53 53 VAL N N 53 121.656 121.656 116.456 5.200 17598 6088 1 13 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.694 -0.107 17598 6089 1 13 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.954 1.791 17598 6090 1 13 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.218 -1.251 17598 6091 1 13 . 1 1 53 53 VAL H H 53 7.928 7.928 8.221 -0.293 17598 6092 1 13 . 1 1 54 54 HIS N N 54 128.219 128.219 123.490 4.729 17598 6093 1 13 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.962 -0.339 17598 6094 1 13 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.020 0.846 17598 6095 1 13 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.483 1.820 17598 6096 1 13 . 1 1 54 54 HIS H H 54 9.188 9.188 8.709 0.479 17598 6097 1 13 . 1 1 55 55 ARG N N 55 122.125 122.125 126.245 -4.120 17598 6098 1 13 . 1 1 55 55 ARG HA H 55 5.027 5.027 4.896 0.131 17598 6099 1 13 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.944 -0.660 17598 6100 1 13 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.015 -0.258 17598 6101 1 13 . 1 1 55 55 ARG H H 55 8.816 8.816 8.815 0.001 17598 6102 1 13 . 1 1 56 56 VAL N N 56 124.229 124.229 120.268 3.961 17598 6103 1 13 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.966 -0.258 17598 6104 1 13 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.631 1.051 17598 6105 1 13 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.311 -0.844 17598 6106 1 13 . 1 1 56 56 VAL H H 56 9.444 9.444 9.053 0.391 17598 6107 1 13 . 1 1 57 57 ARG N N 57 124.554 124.554 121.494 3.060 17598 6108 1 13 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.617 0.206 17598 6109 1 13 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.521 -0.197 17598 6110 1 13 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.416 1.569 17598 6111 1 13 . 1 1 57 57 ARG H H 57 9.124 9.124 8.497 0.627 17598 6112 1 13 . 1 1 58 58 VAL N N 58 120.250 120.250 121.548 -1.298 17598 6113 1 13 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.595 -0.240 17598 6114 1 13 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.461 0.985 17598 6115 1 13 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.763 0.169 17598 6116 1 13 . 1 1 58 58 VAL H H 58 8.327 8.327 8.474 -0.147 17598 6117 1 13 . 1 1 59 59 GLY N N 59 117.437 117.437 117.084 0.353 17598 6118 1 13 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.669 -0.094 17598 6119 1 13 . 1 1 59 59 GLY H H 59 9.097 9.097 8.702 0.395 17598 6120 1 13 . 1 1 60 60 ASP N N 60 121.031 121.031 122.235 -1.204 17598 6121 1 13 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.528 0.423 17598 6122 1 13 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.456 -1.115 17598 6123 1 13 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.808 -0.050 17598 6124 1 13 . 1 1 60 60 ASP H H 60 7.800 7.800 7.985 -0.185 17598 6125 1 13 . 1 1 61 61 TYR N N 61 115.406 115.406 117.300 -1.894 17598 6126 1 13 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.617 -0.027 17598 6127 1 13 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.760 0.032 17598 6128 1 13 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.773 0.797 17598 6129 1 13 . 1 1 61 61 TYR H H 61 7.834 7.834 8.441 -0.607 17598 6130 1 13 . 1 1 62 62 LEU N N 62 117.750 117.750 121.653 -3.903 17598 6131 1 13 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.790 -0.489 17598 6132 1 13 . 1 1 62 62 LEU CA C 62 53.997 53.997 55.021 -1.024 17598 6133 1 13 . 1 1 62 62 LEU CB C 62 46.770 46.770 46.687 0.083 17598 6134 1 13 . 1 1 62 62 LEU H H 62 9.362 9.362 8.414 0.948 17598 6135 1 13 . 1 1 63 63 GLY N N 63 107.303 107.303 108.872 -1.569 17598 6136 1 13 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.245 -0.957 17598 6137 1 13 . 1 1 63 63 GLY H H 63 7.945 7.945 8.571 -0.626 17598 6138 1 13 . 1 1 64 64 ARG N N 64 113.687 113.687 120.680 -6.993 17598 6139 1 13 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.232 0.209 17598 6140 1 13 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.794 -0.525 17598 6141 1 13 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.546 0.201 17598 6142 1 13 . 1 1 64 64 ARG H H 64 8.424 8.424 8.448 -0.024 17598 6143 1 13 . 1 1 65 65 ASN N N 65 121.626 121.626 116.261 5.365 17598 6144 1 13 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.696 0.803 17598 6145 1 13 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.589 0.767 17598 6146 1 13 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.133 1.383 17598 6147 1 13 . 1 1 65 65 ASN H H 65 9.529 9.529 7.955 1.574 17598 6148 1 13 . 1 1 66 66 ASP N N 66 116.656 116.656 119.084 -2.428 17598 6149 1 13 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.311 -0.412 17598 6150 1 13 . 1 1 66 66 ASP CA C 66 54.788 54.788 54.890 -0.102 17598 6151 1 13 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.859 -0.439 17598 6152 1 13 . 1 1 66 66 ASP H H 66 9.397 9.397 7.718 1.679 17598 6153 1 13 . 1 1 67 67 GLY N N 67 100.587 100.587 105.635 -5.048 17598 6154 1 13 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.384 2.627 17598 6155 1 13 . 1 1 67 67 GLY H H 67 7.424 7.424 8.211 -0.787 17598 6156 1 13 . 1 1 68 68 LYS N N 68 130.952 130.952 127.957 2.995 17598 6157 1 13 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.899 -1.051 17598 6158 1 13 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.050 -0.071 17598 6159 1 13 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.783 -0.327 17598 6160 1 13 . 1 1 68 68 LYS H H 68 8.121 8.121 8.631 -0.510 17598 6161 1 13 . 1 1 69 69 VAL N N 69 126.813 126.813 127.464 -0.651 17598 6162 1 13 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.863 0.249 17598 6163 1 13 . 1 1 69 69 VAL CA C 69 63.283 63.283 63.078 0.205 17598 6164 1 13 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.635 0.099 17598 6165 1 13 . 1 1 69 69 VAL H H 69 9.113 9.113 8.506 0.607 17598 6166 1 13 . 1 1 70 70 VAL N N 70 122.594 122.594 123.868 -1.274 17598 6167 1 13 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.612 -0.007 17598 6168 1 13 . 1 1 70 70 VAL CA C 70 60.897 60.897 62.104 -1.207 17598 6169 1 13 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.677 -1.034 17598 6170 1 13 . 1 1 70 70 VAL H H 70 8.968 8.968 8.659 0.309 17598 6171 1 13 . 1 1 71 71 GLY N N 71 110.562 110.562 109.598 0.964 17598 6172 1 13 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.486 1.713 17598 6173 1 13 . 1 1 71 71 GLY H H 71 7.638 7.638 8.145 -0.507 17598 6174 1 13 . 1 1 72 72 ILE N N 72 123.063 123.063 122.270 0.793 17598 6175 1 13 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.260 0.199 17598 6176 1 13 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.637 0.737 17598 6177 1 13 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.623 2.758 17598 6178 1 13 . 1 1 72 72 ILE H H 72 8.404 8.404 8.420 -0.016 17598 6179 1 13 . 1 1 73 73 SER N N 73 123.531 123.531 122.533 0.998 17598 6180 1 13 . 1 1 73 73 SER HA H 73 4.723 4.723 4.742 -0.019 17598 6181 1 13 . 1 1 73 73 SER CA C 73 56.220 56.220 56.745 -0.524 17598 6182 1 13 . 1 1 73 73 SER CB C 73 65.450 65.450 64.371 1.079 17598 6183 1 13 . 1 1 73 73 SER H H 73 8.801 8.801 8.745 0.056 17598 6184 1 13 . 1 1 74 74 GLU N N 74 116.656 116.656 117.215 -0.559 17598 6185 1 13 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.375 -0.071 17598 6186 1 13 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.657 -0.927 17598 6187 1 13 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.308 -1.206 17598 6188 1 13 . 1 1 74 74 GLU H H 74 8.537 8.537 8.494 0.043 17598 6189 1 13 . 1 1 75 75 GLY N N 75 102.989 102.989 105.525 -2.536 17598 6190 1 13 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.983 0.035 17598 6191 1 13 . 1 1 75 75 GLY H H 75 8.124 8.124 7.789 0.335 17598 6192 1 13 . 1 1 76 76 LYS N N 76 120.094 120.094 118.262 1.832 17598 6193 1 13 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.091 0.170 17598 6194 1 13 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.428 1.173 17598 6195 1 13 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.096 0.315 17598 6196 1 13 . 1 1 76 76 LYS H H 76 7.546 7.546 7.585 -0.039 17598 6197 1 13 . 1 1 77 77 ILE N N 77 121.344 121.344 121.948 -0.604 17598 6198 1 13 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.657 -0.107 17598 6199 1 13 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.602 1.244 17598 6200 1 13 . 1 1 77 77 ILE CB C 77 41.616 41.616 39.579 2.037 17598 6201 1 13 . 1 1 77 77 ILE H H 77 8.776 8.776 8.645 0.131 17598 6202 1 13 . 1 1 78 78 ASP N N 78 126.813 126.813 129.356 -2.543 17598 6203 1 13 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.388 -0.187 17598 6204 1 13 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.671 -0.551 17598 6205 1 13 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.855 1.097 17598 6206 1 13 . 1 1 78 78 ASP H H 78 8.964 8.964 8.486 0.478 17598 6207 1 13 . 1 1 79 79 VAL N N 79 124.156 124.156 118.330 5.826 17598 6208 1 13 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.016 0.163 17598 6209 1 13 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.916 -0.642 17598 6210 1 13 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.507 -0.428 17598 6211 1 13 . 1 1 79 79 VAL H H 79 9.060 9.060 9.269 -0.209 17598 6212 1 13 . 1 1 80 80 ILE N N 80 126.656 126.656 122.947 3.709 17598 6213 1 13 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.520 -0.025 17598 6214 1 13 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.468 1.715 17598 6215 1 13 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.431 1.856 17598 6216 1 13 . 1 1 80 80 ILE H H 80 8.812 8.812 8.982 -0.170 17598 6217 1 13 . 1 1 81 81 GLU N N 81 126.656 126.656 128.446 -1.790 17598 6218 1 13 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.866 -0.244 17598 6219 1 13 . 1 1 81 81 GLU CA C 81 55.074 55.074 55.012 0.062 17598 6220 1 13 . 1 1 81 81 GLU CB C 81 32.643 32.643 31.987 0.656 17598 6221 1 13 . 1 1 81 81 GLU H H 81 8.283 8.283 8.536 -0.253 17598 6222 1 13 . 1 1 82 82 ILE N N 82 120.094 120.094 125.020 -4.926 17598 6223 1 13 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.671 0.362 17598 6224 1 13 . 1 1 82 82 ILE CA C 82 60.228 60.228 60.018 0.210 17598 6225 1 13 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.260 1.778 17598 6226 1 13 . 1 1 82 82 ILE H H 82 8.252 8.252 8.823 -0.571 17598 6227 1 13 . 1 1 83 83 VAL N N 83 120.094 120.094 120.833 -0.739 17598 6228 1 13 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.111 0.111 17598 6229 1 13 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.903 -0.680 17598 6230 1 13 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.330 -0.737 17598 6231 1 13 . 1 1 83 83 VAL H H 83 9.201 9.201 9.035 0.166 17598 6232 1 13 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.110 0.265 17598 6233 1 13 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.814 -0.772 17598 6234 1 13 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.129 -0.272 17598 6235 1 13 . 1 1 85 85 ASP N N 85 120.250 120.250 120.400 -0.150 17598 6236 1 13 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.596 -0.091 17598 6237 1 13 . 1 1 85 85 ASP CA C 85 52.497 52.497 53.944 -1.447 17598 6238 1 13 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.202 -0.968 17598 6239 1 13 . 1 1 85 85 ASP H H 85 8.083 8.083 8.366 -0.283 17598 6240 1 13 . 1 1 86 86 GLY N N 86 109.156 109.156 107.717 1.439 17598 6241 1 13 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.143 -0.091 17598 6242 1 13 . 1 1 86 86 GLY H H 86 8.160 8.160 8.152 0.008 17598 6243 1 13 . 1 1 87 87 GLU N N 87 120.719 120.719 121.941 -1.222 17598 6244 1 13 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.475 -0.034 17598 6245 1 13 . 1 1 87 87 GLU CA C 87 54.979 54.979 54.994 -0.015 17598 6246 1 13 . 1 1 87 87 GLU CB C 87 30.162 30.162 29.780 0.382 17598 6247 1 13 . 1 1 87 87 GLU H H 87 8.663 8.663 8.444 0.219 17598 6248 1 13 . 1 1 88 88 GLY N N 88 109.312 109.312 107.647 1.665 17598 6249 1 13 . 1 1 88 88 GLY CA C 88 44.765 44.765 45.389 -0.624 17598 6250 1 13 . 1 1 88 88 GLY H H 88 8.417 8.417 8.232 0.185 17598 6251 1 13 . 1 1 89 89 ASN N N 89 119.625 119.625 117.775 1.850 17598 6252 1 13 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.664 0.333 17598 6253 1 13 . 1 1 89 89 ASN CA C 89 50.970 50.970 51.950 -0.980 17598 6254 1 13 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.265 0.823 17598 6255 1 13 . 1 1 89 89 ASN H H 89 8.331 8.331 7.519 0.812 17598 6256 1 13 . 1 1 90 90 TRP N N 90 121.188 121.188 121.763 -0.575 17598 6257 1 13 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.240 -0.079 17598 6258 1 13 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.800 -0.029 17598 6259 1 13 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.367 0.894 17598 6260 1 13 . 1 1 90 90 TRP H H 90 8.538 8.538 8.390 0.148 17598 6261 1 13 . 1 1 91 91 LEU N N 91 121.031 121.031 119.777 1.254 17598 6262 1 13 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.900 -0.085 17598 6263 1 13 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.355 0.000 17598 6264 1 13 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.824 -1.581 17598 6265 1 13 . 1 1 91 91 LEU H H 91 9.518 9.518 9.019 0.499 17598 6266 1 13 . 1 1 92 92 GLU N N 92 119.156 119.156 121.547 -2.391 17598 6267 1 13 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.371 0.681 17598 6268 1 13 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.407 -1.047 17598 6269 1 13 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.557 0.845 17598 6270 1 13 . 1 1 92 92 GLU H H 92 8.490 8.490 8.639 -0.149 17598 6271 1 13 . 1 1 93 93 ARG N N 93 124.938 124.938 123.581 1.357 17598 6272 1 13 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.821 0.243 17598 6273 1 13 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.605 0.089 17598 6274 1 13 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.377 1.784 17598 6275 1 13 . 1 1 93 93 ARG H H 93 9.283 9.283 8.586 0.697 17598 6276 1 13 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.694 0.549 17598 6277 1 13 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.892 -0.639 17598 6278 1 13 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.536 1.038 17598 6279 1 13 . 1 1 95 95 ARG N N 95 120.416 120.416 123.341 -2.925 17598 6280 1 13 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.728 -0.032 17598 6281 1 13 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.322 0.301 17598 6282 1 13 . 1 1 95 95 ARG CB C 95 33.392 33.392 35.464 -2.072 17598 6283 1 13 . 1 1 95 95 ARG H H 95 9.115 9.115 9.044 0.071 17598 6284 1 13 . 1 1 96 96 SER N N 96 115.719 115.719 116.807 -1.088 17598 6285 1 13 . 1 1 96 96 SER HA H 96 5.781 5.781 5.325 0.456 17598 6286 1 13 . 1 1 96 96 SER CA C 96 56.824 56.824 57.072 -0.247 17598 6287 1 13 . 1 1 96 96 SER CB C 96 65.906 65.906 64.254 1.652 17598 6288 1 13 . 1 1 96 96 SER H H 96 8.676 8.676 8.549 0.127 17598 6289 1 13 . 1 1 97 97 LEU N N 97 126.188 126.188 127.195 -1.007 17598 6290 1 13 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.651 0.222 17598 6291 1 13 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.989 1.045 17598 6292 1 13 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.088 1.843 17598 6293 1 13 . 1 1 97 97 LEU H H 97 9.030 9.030 9.093 -0.063 17598 6294 1 13 . 1 1 98 98 THR N N 98 113.687 113.687 114.439 -0.752 17598 6295 1 13 . 1 1 98 98 THR HA H 98 4.869 4.869 4.477 0.392 17598 6296 1 13 . 1 1 98 98 THR CA C 98 60.265 60.265 61.152 -0.887 17598 6297 1 13 . 1 1 98 98 THR CB C 98 70.650 70.650 69.913 0.737 17598 6298 1 13 . 1 1 98 98 THR H H 98 8.410 8.410 8.248 0.162 17598 6299 1 13 . 1 1 99 99 LEU N N 99 126.344 126.344 123.566 2.778 17598 6300 1 13 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.128 -0.043 17598 6301 1 13 . 1 1 99 99 LEU CA C 99 55.771 55.771 55.701 0.070 17598 6302 1 13 . 1 1 99 99 LEU CB C 99 43.053 43.053 41.815 1.238 17598 6303 1 13 . 1 1 99 99 LEU H H 99 7.806 7.806 8.434 -0.628 17598 6304 1 13 . 1 1 100 100 LYS N N 100 128.063 128.063 127.978 0.085 17598 6305 1 13 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.282 0.113 17598 6306 1 13 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.079 -0.164 17598 6307 1 13 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.895 0.165 17598 6308 1 13 . 1 1 100 100 LYS H H 100 8.816 8.816 8.722 0.094 17598 6309 1 13 . 1 1 101 101 GLU N N 101 123.531 123.531 125.514 -1.983 17598 6310 1 13 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.327 -0.338 17598 6311 1 13 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.967 -0.997 17598 6312 1 13 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.301 0.288 17598 6313 1 13 . 1 1 101 101 GLU H H 101 8.323 8.323 8.431 -0.108 17598 6314 1 13 . 1 1 102 102 ARG N N 102 122.965 122.965 123.646 -0.681 17598 6315 1 13 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.138 0.229 17598 6316 1 13 . 1 1 102 102 ARG CA C 102 55.774 55.774 57.214 -1.440 17598 6317 1 13 . 1 1 102 102 ARG CB C 102 30.559 30.559 28.966 1.593 17598 6318 1 13 . 1 1 102 102 ARG H H 102 8.414 8.414 8.673 -0.259 17598 6319 1 13 . 1 1 103 103 SER N N 103 117.435 117.435 114.726 2.709 17598 6320 1 13 . 1 1 103 103 SER HA H 103 4.431 4.431 4.806 -0.374 17598 6321 1 13 . 1 1 103 103 SER CA C 103 58.079 58.079 57.565 0.514 17598 6322 1 13 . 1 1 103 103 SER CB C 103 63.554 63.554 65.046 -1.492 17598 6323 1 13 . 1 1 103 103 SER H H 103 8.423 8.423 7.969 0.454 17598 6324 1 13 . 1 1 104 104 LEU N N 104 124.423 124.423 122.315 2.108 17598 6325 1 13 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.606 -0.282 17598 6326 1 13 . 1 1 104 104 LEU CA C 104 55.124 55.124 53.973 1.151 17598 6327 1 13 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.917 -0.928 17598 6328 1 13 . 1 1 104 104 LEU H H 104 8.369 8.369 8.233 0.136 17598 6329 1 13 . 1 1 105 105 GLU N N 105 120.875 120.875 118.559 2.316 17598 6330 1 13 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.515 -0.501 17598 6331 1 13 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.596 2.349 17598 6332 1 13 . 1 1 105 105 GLU CB C 105 29.846 29.846 30.890 -1.044 17598 6333 1 13 . 1 1 105 105 GLU H H 105 8.249 8.249 8.164 0.085 17598 6334 1 13 . 1 1 106 106 HIS N N 106 120.719 120.719 119.749 0.970 17598 6335 1 13 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.948 0.660 17598 6336 1 13 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.833 2.615 17598 6337 1 13 . 1 1 106 106 HIS H H 106 8.274 8.274 8.589 -0.315 17598 6338 1 13 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.795 -0.209 17598 6339 1 13 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.782 0.022 17598 6340 1 13 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.391 0.033 17598 6341 1 13 . 1 1 108 108 HIS N N 108 125.843 125.843 125.994 -0.151 17598 6342 1 13 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.723 1.382 17598 6343 1 13 . 1 1 108 108 HIS CB C 108 30.424 30.424 31.142 -0.718 17598 6344 1 13 . 1 1 108 108 HIS H H 108 7.941 7.941 8.671 -0.730 17598 6345 1 14 . 1 1 2 2 LEU HA H 2 4.375 4.375 5.025 -0.650 17598 6346 1 14 . 1 1 2 2 LEU CA C 2 55.350 55.350 53.852 1.498 17598 6347 1 14 . 1 1 2 2 LEU CB C 2 42.048 42.048 44.644 -2.595 17598 6348 1 14 . 1 1 3 3 THR N N 3 114.937 114.937 113.817 1.120 17598 6349 1 14 . 1 1 3 3 THR HA H 3 4.205 4.205 4.752 -0.547 17598 6350 1 14 . 1 1 3 3 THR CA C 3 62.493 62.493 61.100 1.393 17598 6351 1 14 . 1 1 3 3 THR CB C 3 69.391 69.391 72.179 -2.788 17598 6352 1 14 . 1 1 3 3 THR H H 3 8.316 8.316 8.634 -0.318 17598 6353 1 14 . 1 1 4 4 VAL N N 4 122.438 122.438 116.663 5.775 17598 6354 1 14 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.487 -0.419 17598 6355 1 14 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.437 1.056 17598 6356 1 14 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.214 0.144 17598 6357 1 14 . 1 1 4 4 VAL H H 4 7.953 7.953 8.049 -0.096 17598 6358 1 14 . 1 1 5 5 ARG N N 5 124.781 124.781 121.998 2.783 17598 6359 1 14 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.477 -0.127 17598 6360 1 14 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.640 0.202 17598 6361 1 14 . 1 1 5 5 ARG CB C 5 30.643 30.643 28.879 1.764 17598 6362 1 14 . 1 1 5 5 ARG H H 5 8.319 8.319 8.084 0.235 17598 6363 1 14 . 1 1 6 6 GLN N N 6 121.656 121.656 122.254 -0.598 17598 6364 1 14 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.500 0.342 17598 6365 1 14 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.576 -1.387 17598 6366 1 14 . 1 1 6 6 GLN H H 6 8.373 8.373 8.109 0.264 17598 6367 1 14 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.533 -0.724 17598 6368 1 14 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.929 -1.097 17598 6369 1 14 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.203 -3.139 17598 6370 1 14 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.766 -0.037 17598 6371 1 14 . 1 1 8 8 GLY H H 8 8.407 8.407 8.557 -0.150 17598 6372 1 14 . 1 1 9 9 ASN N N 9 118.812 118.812 122.245 -3.433 17598 6373 1 14 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.749 -0.033 17598 6374 1 14 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.485 0.398 17598 6375 1 14 . 1 1 9 9 ASN CB C 9 38.892 38.892 40.464 -1.572 17598 6376 1 14 . 1 1 9 9 ASN H H 9 8.337 8.337 8.315 0.022 17598 6377 1 14 . 1 1 10 10 LYS N N 10 122.131 122.131 122.477 -0.346 17598 6378 1 14 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.363 -0.031 17598 6379 1 14 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.485 -0.515 17598 6380 1 14 . 1 1 10 10 LYS CB C 10 32.574 32.574 32.070 0.504 17598 6381 1 14 . 1 1 10 10 LYS H H 10 8.253 8.253 8.488 -0.235 17598 6382 1 14 . 1 1 11 11 VAL N N 11 123.026 123.026 118.954 4.072 17598 6383 1 14 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.516 -0.380 17598 6384 1 14 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.450 1.555 17598 6385 1 14 . 1 1 11 11 VAL CB C 11 32.822 32.822 35.007 -2.185 17598 6386 1 14 . 1 1 11 11 VAL H H 11 8.428 8.428 8.175 0.253 17598 6387 1 14 . 1 1 12 12 ILE N N 12 127.174 127.174 125.473 1.701 17598 6388 1 14 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.442 -0.338 17598 6389 1 14 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.913 -0.911 17598 6390 1 14 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.037 -0.304 17598 6391 1 14 . 1 1 12 12 ILE H H 12 8.345 8.345 8.655 -0.310 17598 6392 1 14 . 1 1 13 13 LYS N N 13 122.906 122.906 126.906 -4.000 17598 6393 1 14 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.965 -1.148 17598 6394 1 14 . 1 1 13 13 LYS CA C 13 53.957 53.957 53.126 0.831 17598 6395 1 14 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.311 0.206 17598 6396 1 14 . 1 1 13 13 LYS H H 13 7.662 7.662 8.398 -0.736 17598 6397 1 14 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.394 -0.469 17598 6398 1 14 . 1 1 14 14 PRO CA C 14 62.537 62.537 63.129 -0.592 17598 6399 1 14 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.889 -0.296 17598 6400 1 14 . 1 1 15 15 ASP N N 15 121.969 121.969 122.437 -0.468 17598 6401 1 14 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.710 -0.187 17598 6402 1 14 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.820 0.154 17598 6403 1 14 . 1 1 15 15 ASP CB C 15 40.470 40.470 43.346 -2.876 17598 6404 1 14 . 1 1 15 15 ASP H H 15 8.607 8.607 8.056 0.551 17598 6405 1 14 . 1 1 16 16 GLU N N 16 126.813 126.813 119.040 7.773 17598 6406 1 14 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.151 0.041 17598 6407 1 14 . 1 1 16 16 GLU CA C 16 57.651 57.651 58.378 -0.727 17598 6408 1 14 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.572 -0.365 17598 6409 1 14 . 1 1 16 16 GLU H H 16 9.032 9.032 8.657 0.375 17598 6410 1 14 . 1 1 17 17 THR N N 17 110.875 110.875 108.958 1.917 17598 6411 1 14 . 1 1 17 17 THR HA H 17 4.313 4.313 4.365 -0.052 17598 6412 1 14 . 1 1 17 17 THR CA C 17 61.660 61.660 61.383 0.277 17598 6413 1 14 . 1 1 17 17 THR CB C 17 69.392 69.392 68.481 0.911 17598 6414 1 14 . 1 1 17 17 THR H H 17 8.453 8.453 7.655 0.798 17598 6415 1 14 . 1 1 18 18 ARG N N 18 124.313 124.313 121.073 3.240 17598 6416 1 14 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.473 -0.366 17598 6417 1 14 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.147 0.786 17598 6418 1 14 . 1 1 18 18 ARG CB C 18 31.021 31.021 31.482 -0.461 17598 6419 1 14 . 1 1 18 18 ARG H H 18 6.969 6.969 7.558 -0.589 17598 6420 1 14 . 1 1 19 19 VAL N N 19 127.750 127.750 120.629 7.121 17598 6421 1 14 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.123 -0.331 17598 6422 1 14 . 1 1 19 19 VAL CA C 19 62.530 62.530 62.121 0.409 17598 6423 1 14 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.831 -1.810 17598 6424 1 14 . 1 1 19 19 VAL H H 19 8.494 8.494 8.337 0.157 17598 6425 1 14 . 1 1 20 20 LYS N N 20 129.005 129.005 126.937 2.068 17598 6426 1 14 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.592 -0.510 17598 6427 1 14 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.486 1.311 17598 6428 1 14 . 1 1 20 20 LYS CB C 20 33.025 33.025 34.309 -1.284 17598 6429 1 14 . 1 1 20 20 LYS H H 20 8.406 8.406 8.241 0.165 17598 6430 1 14 . 1 1 21 21 GLN N N 21 122.125 122.125 119.727 2.398 17598 6431 1 14 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.645 -0.214 17598 6432 1 14 . 1 1 21 21 GLN CA C 21 56.697 56.697 54.465 2.232 17598 6433 1 14 . 1 1 21 21 GLN CB C 21 29.207 29.207 31.587 -2.380 17598 6434 1 14 . 1 1 21 21 GLN H H 21 9.783 9.783 8.165 1.618 17598 6435 1 14 . 1 1 22 22 PHE N N 22 126.785 126.785 121.353 5.432 17598 6436 1 14 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.287 0.005 17598 6437 1 14 . 1 1 22 22 PHE CA C 22 61.906 61.906 61.970 -0.064 17598 6438 1 14 . 1 1 22 22 PHE CB C 22 39.105 39.105 38.990 0.115 17598 6439 1 14 . 1 1 22 22 PHE H H 22 9.214 9.214 8.945 0.269 17598 6440 1 14 . 1 1 23 23 LEU N N 23 115.846 115.846 118.769 -2.923 17598 6441 1 14 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.388 -0.268 17598 6442 1 14 . 1 1 23 23 LEU CA C 23 56.358 56.358 58.050 -1.692 17598 6443 1 14 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.993 -0.896 17598 6444 1 14 . 1 1 23 23 LEU H H 23 9.173 9.173 8.640 0.533 17598 6445 1 14 . 1 1 24 24 GLU N N 24 117.032 117.032 118.351 -1.319 17598 6446 1 14 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.317 0.494 17598 6447 1 14 . 1 1 24 24 GLU CA C 24 56.655 56.655 59.625 -2.970 17598 6448 1 14 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.828 0.469 17598 6449 1 14 . 1 1 24 24 GLU H H 24 7.789 7.789 8.803 -1.014 17598 6450 1 14 . 1 1 25 25 GLY N N 25 105.050 105.050 105.255 -0.205 17598 6451 1 14 . 1 1 25 25 GLY CA C 25 44.407 44.407 45.224 -0.816 17598 6452 1 14 . 1 1 25 25 GLY H H 25 7.640 7.640 7.725 -0.085 17598 6453 1 14 . 1 1 26 26 PHE N N 26 115.467 115.467 118.158 -2.691 17598 6454 1 14 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.764 -0.260 17598 6455 1 14 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.161 -0.634 17598 6456 1 14 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.089 2.028 17598 6457 1 14 . 1 1 26 26 PHE H H 26 6.508 6.508 7.999 -1.491 17598 6458 1 14 . 1 1 27 27 ASN N N 27 118.006 118.006 116.971 1.035 17598 6459 1 14 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.669 -0.181 17598 6460 1 14 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.673 -0.644 17598 6461 1 14 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.447 -1.729 17598 6462 1 14 . 1 1 27 27 ASN H H 27 8.788 8.788 8.549 0.239 17598 6463 1 14 . 1 1 28 28 ILE N N 28 129.126 129.126 121.468 7.658 17598 6464 1 14 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.766 -0.078 17598 6465 1 14 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.837 2.070 17598 6466 1 14 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.464 0.579 17598 6467 1 14 . 1 1 28 28 ILE H H 28 9.557 9.557 8.762 0.795 17598 6468 1 14 . 1 1 29 29 GLU N N 29 120.068 120.068 118.262 1.806 17598 6469 1 14 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.098 0.131 17598 6470 1 14 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.750 -0.403 17598 6471 1 14 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.638 -0.509 17598 6472 1 14 . 1 1 29 29 GLU H H 29 9.064 9.064 8.499 0.565 17598 6473 1 14 . 1 1 30 30 THR N N 30 109.404 109.404 110.097 -0.693 17598 6474 1 14 . 1 1 30 30 THR HA H 30 4.303 4.303 4.051 0.252 17598 6475 1 14 . 1 1 30 30 THR CA C 30 62.079 62.079 62.962 -0.884 17598 6476 1 14 . 1 1 30 30 THR CB C 30 69.583 69.583 68.381 1.202 17598 6477 1 14 . 1 1 30 30 THR H H 30 7.789 7.789 7.620 0.169 17598 6478 1 14 . 1 1 31 31 PHE N N 31 120.250 120.250 120.213 0.037 17598 6479 1 14 . 1 1 31 31 PHE HA H 31 5.426 5.426 5.140 0.286 17598 6480 1 14 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.704 -0.248 17598 6481 1 14 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.299 -0.306 17598 6482 1 14 . 1 1 31 31 PHE H H 31 7.236 7.236 6.937 0.299 17598 6483 1 14 . 1 1 32 32 GLU N N 32 118.531 118.531 119.400 -0.869 17598 6484 1 14 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.680 0.107 17598 6485 1 14 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.282 -1.353 17598 6486 1 14 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.702 -0.009 17598 6487 1 14 . 1 1 32 32 GLU H H 32 8.644 8.644 8.528 0.116 17598 6488 1 14 . 1 1 33 33 MET N N 33 127.438 127.438 126.801 0.637 17598 6489 1 14 . 1 1 33 33 MET HA H 33 4.643 4.643 4.366 0.277 17598 6490 1 14 . 1 1 33 33 MET CA C 33 56.411 56.411 57.480 -1.069 17598 6491 1 14 . 1 1 33 33 MET CB C 33 32.050 32.050 33.142 -1.092 17598 6492 1 14 . 1 1 33 33 MET H H 33 9.679 9.679 9.099 0.580 17598 6493 1 14 . 1 1 34 34 VAL N N 34 119.176 119.176 122.714 -3.538 17598 6494 1 14 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.724 0.050 17598 6495 1 14 . 1 1 34 34 VAL CA C 34 60.996 60.996 62.200 -1.204 17598 6496 1 14 . 1 1 34 34 VAL CB C 34 32.849 32.849 32.976 -0.127 17598 6497 1 14 . 1 1 34 34 VAL H H 34 8.897 8.897 8.614 0.283 17598 6498 1 14 . 1 1 35 35 GLY N N 35 108.249 108.249 106.993 1.256 17598 6499 1 14 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.135 0.049 17598 6500 1 14 . 1 1 35 35 GLY H H 35 7.589 7.589 7.743 -0.154 17598 6501 1 14 . 1 1 36 36 THR N N 36 110.562 110.562 113.378 -2.816 17598 6502 1 14 . 1 1 36 36 THR HA H 36 5.088 5.088 4.630 0.458 17598 6503 1 14 . 1 1 36 36 THR CA C 36 60.060 60.060 61.499 -1.440 17598 6504 1 14 . 1 1 36 36 THR CB C 36 72.335 72.335 71.585 0.750 17598 6505 1 14 . 1 1 36 36 THR H H 36 8.300 8.300 8.238 0.062 17598 6506 1 14 . 1 1 37 37 LEU N N 37 122.334 122.334 126.884 -4.550 17598 6507 1 14 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.878 -0.173 17598 6508 1 14 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.172 1.349 17598 6509 1 14 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.059 1.256 17598 6510 1 14 . 1 1 37 37 LEU H H 37 8.886 8.886 8.882 0.004 17598 6511 1 14 . 1 1 38 38 SER N N 38 119.156 119.156 119.018 0.138 17598 6512 1 14 . 1 1 38 38 SER HA H 38 5.489 5.489 5.443 0.046 17598 6513 1 14 . 1 1 38 38 SER CA C 38 56.819 56.819 57.284 -0.465 17598 6514 1 14 . 1 1 38 38 SER CB C 38 64.655 64.655 65.397 -0.742 17598 6515 1 14 . 1 1 38 38 SER H H 38 8.694 8.694 8.549 0.145 17598 6516 1 14 . 1 1 39 39 ASN N N 39 124.156 124.156 122.979 1.177 17598 6517 1 14 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.819 -1.015 17598 6518 1 14 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.543 0.320 17598 6519 1 14 . 1 1 39 39 ASN H H 39 9.068 9.068 8.936 0.132 17598 6520 1 14 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.104 0.063 17598 6521 1 14 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.686 0.040 17598 6522 1 14 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.408 -0.197 17598 6523 1 14 . 1 1 41 41 GLN N N 41 114.937 114.937 116.035 -1.098 17598 6524 1 14 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.213 0.137 17598 6525 1 14 . 1 1 41 41 GLN CA C 41 56.695 56.695 57.099 -0.404 17598 6526 1 14 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.305 -0.317 17598 6527 1 14 . 1 1 41 41 GLN H H 41 8.399 8.399 8.540 -0.141 17598 6528 1 14 . 1 1 42 42 GLY N N 42 108.502 108.502 104.186 4.316 17598 6529 1 14 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.579 -0.008 17598 6530 1 14 . 1 1 42 42 GLY H H 42 7.892 7.892 7.952 -0.060 17598 6531 1 14 . 1 1 43 43 THR N N 43 116.344 116.344 116.993 -0.649 17598 6532 1 14 . 1 1 43 43 THR HA H 43 3.749 3.749 4.819 -1.070 17598 6533 1 14 . 1 1 43 43 THR CA C 43 69.834 69.834 61.938 7.896 17598 6534 1 14 . 1 1 43 43 THR CB C 43 70.316 70.316 69.335 0.981 17598 6535 1 14 . 1 1 43 43 THR H H 43 7.762 7.762 7.724 0.038 17598 6536 1 14 . 1 1 44 44 PHE N N 44 123.688 123.688 125.014 -1.326 17598 6537 1 14 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.699 0.407 17598 6538 1 14 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.004 -0.457 17598 6539 1 14 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.461 -0.556 17598 6540 1 14 . 1 1 44 44 PHE H H 44 9.283 9.283 9.381 -0.098 17598 6541 1 14 . 1 1 45 45 ALA N N 45 122.438 122.438 124.035 -1.597 17598 6542 1 14 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.834 0.117 17598 6543 1 14 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.398 -0.288 17598 6544 1 14 . 1 1 45 45 ALA CB C 45 21.637 21.637 20.821 0.816 17598 6545 1 14 . 1 1 45 45 ALA H H 45 9.579 9.579 8.905 0.674 17598 6546 1 14 . 1 1 46 46 LEU N N 46 121.500 121.500 126.237 -4.737 17598 6547 1 14 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.178 -0.035 17598 6548 1 14 . 1 1 46 46 LEU CA C 46 52.982 52.982 54.427 -1.445 17598 6549 1 14 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.148 0.270 17598 6550 1 14 . 1 1 46 46 LEU H H 46 8.472 8.472 8.555 -0.083 17598 6551 1 14 . 1 1 47 47 VAL N N 47 122.125 122.125 123.649 -1.524 17598 6552 1 14 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.504 0.411 17598 6553 1 14 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.778 -0.355 17598 6554 1 14 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.712 -1.884 17598 6555 1 14 . 1 1 47 47 VAL H H 47 9.175 9.175 9.202 -0.027 17598 6556 1 14 . 1 1 48 48 LYS N N 48 129.000 129.000 124.463 4.537 17598 6557 1 14 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.325 -0.127 17598 6558 1 14 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.142 0.584 17598 6559 1 14 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.533 -0.500 17598 6560 1 14 . 1 1 48 48 LYS H H 48 9.675 9.675 8.141 1.534 17598 6561 1 14 . 1 1 49 49 GLY N N 49 113.844 113.844 110.972 2.872 17598 6562 1 14 . 1 1 49 49 GLY CA C 49 44.876 44.876 44.928 -0.052 17598 6563 1 14 . 1 1 49 49 GLY H H 49 8.792 8.792 8.618 0.174 17598 6564 1 14 . 1 1 50 50 ALA N N 50 123.844 123.844 123.359 0.485 17598 6565 1 14 . 1 1 50 50 ALA HA H 50 3.452 3.452 4.036 -0.584 17598 6566 1 14 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.631 -0.649 17598 6567 1 14 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.608 0.342 17598 6568 1 14 . 1 1 50 50 ALA H H 50 8.963 8.963 8.730 0.233 17598 6569 1 14 . 1 1 51 51 GLY N N 51 105.406 105.406 110.734 -5.328 17598 6570 1 14 . 1 1 51 51 GLY CA C 51 45.544 45.544 44.546 0.998 17598 6571 1 14 . 1 1 51 51 GLY H H 51 8.582 8.582 8.122 0.460 17598 6572 1 14 . 1 1 52 52 GLY N N 52 108.644 108.644 109.566 -0.922 17598 6573 1 14 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.033 0.116 17598 6574 1 14 . 1 1 52 52 GLY H H 52 7.692 7.692 8.415 -0.723 17598 6575 1 14 . 1 1 53 53 VAL N N 53 121.656 121.656 120.291 1.365 17598 6576 1 14 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.668 -0.081 17598 6577 1 14 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.026 1.719 17598 6578 1 14 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.803 -1.836 17598 6579 1 14 . 1 1 53 53 VAL H H 53 7.928 7.928 7.909 0.019 17598 6580 1 14 . 1 1 54 54 HIS N N 54 128.219 128.219 121.794 6.425 17598 6581 1 14 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.921 -0.298 17598 6582 1 14 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.779 0.087 17598 6583 1 14 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.356 0.947 17598 6584 1 14 . 1 1 54 54 HIS H H 54 9.188 9.188 9.120 0.068 17598 6585 1 14 . 1 1 55 55 ARG N N 55 122.125 122.125 119.970 2.155 17598 6586 1 14 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.487 -0.460 17598 6587 1 14 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.527 0.757 17598 6588 1 14 . 1 1 55 55 ARG CB C 55 30.757 30.757 33.587 -2.830 17598 6589 1 14 . 1 1 55 55 ARG H H 55 8.816 8.816 8.498 0.318 17598 6590 1 14 . 1 1 56 56 VAL N N 56 124.229 124.229 115.972 8.257 17598 6591 1 14 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.848 -0.140 17598 6592 1 14 . 1 1 56 56 VAL CA C 56 60.682 60.682 61.012 -0.330 17598 6593 1 14 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.493 -0.026 17598 6594 1 14 . 1 1 56 56 VAL H H 56 9.444 9.444 8.904 0.540 17598 6595 1 14 . 1 1 57 57 ARG N N 57 124.554 124.554 124.911 -0.357 17598 6596 1 14 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.864 -0.041 17598 6597 1 14 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.846 -0.522 17598 6598 1 14 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.297 1.688 17598 6599 1 14 . 1 1 57 57 ARG H H 57 9.124 9.124 7.841 1.283 17598 6600 1 14 . 1 1 58 58 VAL N N 58 120.250 120.250 120.838 -0.588 17598 6601 1 14 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.485 -0.130 17598 6602 1 14 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.130 0.316 17598 6603 1 14 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.078 0.854 17598 6604 1 14 . 1 1 58 58 VAL H H 58 8.327 8.327 8.073 0.254 17598 6605 1 14 . 1 1 59 59 GLY N N 59 117.437 117.437 116.611 0.826 17598 6606 1 14 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.525 0.050 17598 6607 1 14 . 1 1 59 59 GLY H H 59 9.097 9.097 8.700 0.397 17598 6608 1 14 . 1 1 60 60 ASP N N 60 121.031 121.031 122.330 -1.299 17598 6609 1 14 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.474 0.477 17598 6610 1 14 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.956 -1.614 17598 6611 1 14 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.585 0.173 17598 6612 1 14 . 1 1 60 60 ASP H H 60 7.800 7.800 8.049 -0.249 17598 6613 1 14 . 1 1 61 61 TYR N N 61 115.406 115.406 115.373 0.033 17598 6614 1 14 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.380 0.210 17598 6615 1 14 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.848 -0.056 17598 6616 1 14 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.413 0.157 17598 6617 1 14 . 1 1 61 61 TYR H H 61 7.834 7.834 8.292 -0.458 17598 6618 1 14 . 1 1 62 62 LEU N N 62 117.750 117.750 115.781 1.969 17598 6619 1 14 . 1 1 62 62 LEU HA H 62 4.301 4.301 5.224 -0.923 17598 6620 1 14 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.063 -0.066 17598 6621 1 14 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.957 0.813 17598 6622 1 14 . 1 1 62 62 LEU H H 62 9.362 9.362 8.583 0.779 17598 6623 1 14 . 1 1 63 63 GLY N N 63 107.303 107.303 106.618 0.685 17598 6624 1 14 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.327 -1.039 17598 6625 1 14 . 1 1 63 63 GLY H H 63 7.945 7.945 8.499 -0.554 17598 6626 1 14 . 1 1 64 64 ARG N N 64 113.687 113.687 120.587 -6.900 17598 6627 1 14 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.215 0.226 17598 6628 1 14 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.816 -0.546 17598 6629 1 14 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.564 0.182 17598 6630 1 14 . 1 1 64 64 ARG H H 64 8.424 8.424 8.429 -0.005 17598 6631 1 14 . 1 1 65 65 ASN N N 65 121.626 121.626 115.553 6.073 17598 6632 1 14 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.834 0.665 17598 6633 1 14 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.771 0.585 17598 6634 1 14 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.511 1.005 17598 6635 1 14 . 1 1 65 65 ASN H H 65 9.529 9.529 8.029 1.500 17598 6636 1 14 . 1 1 66 66 ASP N N 66 116.656 116.656 118.860 -2.204 17598 6637 1 14 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.320 -0.421 17598 6638 1 14 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.127 -0.339 17598 6639 1 14 . 1 1 66 66 ASP CB C 66 39.420 39.420 40.057 -0.637 17598 6640 1 14 . 1 1 66 66 ASP H H 66 9.397 9.397 7.792 1.605 17598 6641 1 14 . 1 1 67 67 GLY N N 67 100.587 100.587 105.742 -5.155 17598 6642 1 14 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.320 2.691 17598 6643 1 14 . 1 1 67 67 GLY H H 67 7.424 7.424 8.258 -0.834 17598 6644 1 14 . 1 1 68 68 LYS N N 68 130.952 130.952 128.214 2.738 17598 6645 1 14 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.788 -0.940 17598 6646 1 14 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.892 0.087 17598 6647 1 14 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.470 -0.013 17598 6648 1 14 . 1 1 68 68 LYS H H 68 8.121 8.121 8.830 -0.709 17598 6649 1 14 . 1 1 69 69 VAL N N 69 126.813 126.813 127.573 -0.760 17598 6650 1 14 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.816 0.296 17598 6651 1 14 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.030 -0.747 17598 6652 1 14 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.588 0.146 17598 6653 1 14 . 1 1 69 69 VAL H H 69 9.113 9.113 8.509 0.604 17598 6654 1 14 . 1 1 70 70 VAL N N 70 122.594 122.594 124.754 -2.160 17598 6655 1 14 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.556 0.049 17598 6656 1 14 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.360 -0.463 17598 6657 1 14 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.480 -0.837 17598 6658 1 14 . 1 1 70 70 VAL H H 70 8.968 8.968 8.711 0.257 17598 6659 1 14 . 1 1 71 71 GLY N N 71 110.562 110.562 109.432 1.130 17598 6660 1 14 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.494 1.705 17598 6661 1 14 . 1 1 71 71 GLY H H 71 7.638 7.638 8.121 -0.483 17598 6662 1 14 . 1 1 72 72 ILE N N 72 123.063 123.063 122.247 0.816 17598 6663 1 14 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.302 0.157 17598 6664 1 14 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.633 0.742 17598 6665 1 14 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.423 2.958 17598 6666 1 14 . 1 1 72 72 ILE H H 72 8.404 8.404 8.436 -0.032 17598 6667 1 14 . 1 1 73 73 SER N N 73 123.531 123.531 123.175 0.356 17598 6668 1 14 . 1 1 73 73 SER HA H 73 4.723 4.723 4.747 -0.024 17598 6669 1 14 . 1 1 73 73 SER CA C 73 56.220 56.220 56.807 -0.587 17598 6670 1 14 . 1 1 73 73 SER CB C 73 65.450 65.450 64.089 1.361 17598 6671 1 14 . 1 1 73 73 SER H H 73 8.801 8.801 8.759 0.042 17598 6672 1 14 . 1 1 74 74 GLU N N 74 116.656 116.656 117.953 -1.297 17598 6673 1 14 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.316 -0.012 17598 6674 1 14 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.923 -1.194 17598 6675 1 14 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.329 -1.227 17598 6676 1 14 . 1 1 74 74 GLU H H 74 8.537 8.537 8.493 0.044 17598 6677 1 14 . 1 1 75 75 GLY N N 75 102.989 102.989 106.363 -3.374 17598 6678 1 14 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.036 -0.018 17598 6679 1 14 . 1 1 75 75 GLY H H 75 8.124 8.124 7.933 0.191 17598 6680 1 14 . 1 1 76 76 LYS N N 76 120.094 120.094 118.070 2.024 17598 6681 1 14 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.023 0.238 17598 6682 1 14 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.573 1.028 17598 6683 1 14 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.641 0.770 17598 6684 1 14 . 1 1 76 76 LYS H H 76 7.546 7.546 7.590 -0.044 17598 6685 1 14 . 1 1 77 77 ILE N N 77 121.344 121.344 121.559 -0.215 17598 6686 1 14 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.555 -0.005 17598 6687 1 14 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.411 -0.564 17598 6688 1 14 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.244 0.372 17598 6689 1 14 . 1 1 77 77 ILE H H 77 8.776 8.776 8.646 0.130 17598 6690 1 14 . 1 1 78 78 ASP N N 78 126.813 126.813 130.049 -3.236 17598 6691 1 14 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.278 -0.077 17598 6692 1 14 . 1 1 78 78 ASP CA C 78 54.120 54.120 53.498 0.622 17598 6693 1 14 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.298 1.654 17598 6694 1 14 . 1 1 78 78 ASP H H 78 8.964 8.964 8.423 0.541 17598 6695 1 14 . 1 1 79 79 VAL N N 79 124.156 124.156 118.406 5.750 17598 6696 1 14 . 1 1 79 79 VAL HA H 79 5.179 5.179 4.934 0.245 17598 6697 1 14 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.500 -0.226 17598 6698 1 14 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.016 0.063 17598 6699 1 14 . 1 1 79 79 VAL H H 79 9.060 9.060 9.189 -0.129 17598 6700 1 14 . 1 1 80 80 ILE N N 80 126.656 126.656 123.885 2.771 17598 6701 1 14 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.322 0.173 17598 6702 1 14 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.727 1.456 17598 6703 1 14 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.123 2.164 17598 6704 1 14 . 1 1 80 80 ILE H H 80 8.812 8.812 8.999 -0.187 17598 6705 1 14 . 1 1 81 81 GLU N N 81 126.656 126.656 128.225 -1.569 17598 6706 1 14 . 1 1 81 81 GLU HA H 81 4.622 4.622 5.006 -0.384 17598 6707 1 14 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.697 0.377 17598 6708 1 14 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.393 -0.750 17598 6709 1 14 . 1 1 81 81 GLU H H 81 8.283 8.283 8.709 -0.426 17598 6710 1 14 . 1 1 82 82 ILE N N 82 120.094 120.094 121.361 -1.267 17598 6711 1 14 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.832 0.201 17598 6712 1 14 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.710 1.518 17598 6713 1 14 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.950 1.088 17598 6714 1 14 . 1 1 82 82 ILE H H 82 8.252 8.252 8.649 -0.397 17598 6715 1 14 . 1 1 83 83 VAL N N 83 120.094 120.094 126.913 -6.819 17598 6716 1 14 . 1 1 83 83 VAL HA H 83 5.222 5.222 4.839 0.383 17598 6717 1 14 . 1 1 83 83 VAL CA C 83 57.223 57.223 58.043 -0.820 17598 6718 1 14 . 1 1 83 83 VAL CB C 83 33.593 33.593 36.681 -3.088 17598 6719 1 14 . 1 1 83 83 VAL H H 83 9.201 9.201 9.025 0.176 17598 6720 1 14 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.783 0.592 17598 6721 1 14 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.405 -0.363 17598 6722 1 14 . 1 1 84 84 PRO CB C 84 31.857 31.857 31.991 -0.134 17598 6723 1 14 . 1 1 85 85 ASP N N 85 120.250 120.250 123.428 -3.178 17598 6724 1 14 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.549 -0.044 17598 6725 1 14 . 1 1 85 85 ASP CA C 85 52.497 52.497 55.236 -2.739 17598 6726 1 14 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.106 -0.872 17598 6727 1 14 . 1 1 85 85 ASP H H 85 8.083 8.083 8.382 -0.299 17598 6728 1 14 . 1 1 86 86 GLY N N 86 109.156 109.156 107.383 1.773 17598 6729 1 14 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.137 -0.085 17598 6730 1 14 . 1 1 86 86 GLY H H 86 8.160 8.160 8.173 -0.013 17598 6731 1 14 . 1 1 87 87 GLU N N 87 120.719 120.719 122.083 -1.364 17598 6732 1 14 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.430 0.011 17598 6733 1 14 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.768 -1.789 17598 6734 1 14 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.634 -0.472 17598 6735 1 14 . 1 1 87 87 GLU H H 87 8.663 8.663 8.274 0.389 17598 6736 1 14 . 1 1 88 88 GLY N N 88 109.312 109.312 107.368 1.944 17598 6737 1 14 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.766 -0.001 17598 6738 1 14 . 1 1 88 88 GLY H H 88 8.417 8.417 8.160 0.257 17598 6739 1 14 . 1 1 89 89 ASN N N 89 119.625 119.625 118.540 1.085 17598 6740 1 14 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.752 0.245 17598 6741 1 14 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.242 -1.272 17598 6742 1 14 . 1 1 89 89 ASN CB C 89 40.088 40.088 38.741 1.347 17598 6743 1 14 . 1 1 89 89 ASN H H 89 8.331 8.331 7.679 0.652 17598 6744 1 14 . 1 1 90 90 TRP N N 90 121.188 121.188 122.458 -1.270 17598 6745 1 14 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.053 0.108 17598 6746 1 14 . 1 1 90 90 TRP CA C 90 56.770 56.770 57.086 -0.316 17598 6747 1 14 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.379 0.882 17598 6748 1 14 . 1 1 90 90 TRP H H 90 8.538 8.538 8.234 0.304 17598 6749 1 14 . 1 1 91 91 LEU N N 91 121.031 121.031 119.561 1.470 17598 6750 1 14 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.740 0.075 17598 6751 1 14 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.346 0.010 17598 6752 1 14 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.920 -1.677 17598 6753 1 14 . 1 1 91 91 LEU H H 91 9.518 9.518 8.781 0.737 17598 6754 1 14 . 1 1 92 92 GLU N N 92 119.156 119.156 120.925 -1.769 17598 6755 1 14 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.677 0.375 17598 6756 1 14 . 1 1 92 92 GLU CA C 92 55.360 55.360 57.288 -1.927 17598 6757 1 14 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.457 0.945 17598 6758 1 14 . 1 1 92 92 GLU H H 92 8.490 8.490 8.671 -0.181 17598 6759 1 14 . 1 1 93 93 ARG N N 93 124.938 124.938 122.899 2.039 17598 6760 1 14 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.783 0.281 17598 6761 1 14 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.699 -0.005 17598 6762 1 14 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.806 2.355 17598 6763 1 14 . 1 1 93 93 ARG H H 93 9.283 9.283 8.620 0.663 17598 6764 1 14 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.757 0.486 17598 6765 1 14 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.747 -0.494 17598 6766 1 14 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.342 1.232 17598 6767 1 14 . 1 1 95 95 ARG N N 95 120.416 120.416 127.112 -6.696 17598 6768 1 14 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.622 0.074 17598 6769 1 14 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.220 0.403 17598 6770 1 14 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.089 0.303 17598 6771 1 14 . 1 1 95 95 ARG H H 95 9.115 9.115 8.658 0.457 17598 6772 1 14 . 1 1 96 96 SER N N 96 115.719 115.719 119.257 -3.538 17598 6773 1 14 . 1 1 96 96 SER HA H 96 5.781 5.781 5.268 0.513 17598 6774 1 14 . 1 1 96 96 SER CA C 96 56.824 56.824 56.964 -0.140 17598 6775 1 14 . 1 1 96 96 SER CB C 96 65.906 65.906 64.345 1.561 17598 6776 1 14 . 1 1 96 96 SER H H 96 8.676 8.676 8.550 0.126 17598 6777 1 14 . 1 1 97 97 LEU N N 97 126.188 126.188 127.574 -1.386 17598 6778 1 14 . 1 1 97 97 LEU HA H 97 4.873 4.873 5.042 -0.169 17598 6779 1 14 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.592 1.442 17598 6780 1 14 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.654 1.276 17598 6781 1 14 . 1 1 97 97 LEU H H 97 9.030 9.030 9.148 -0.118 17598 6782 1 14 . 1 1 98 98 THR N N 98 113.687 113.687 115.844 -2.157 17598 6783 1 14 . 1 1 98 98 THR HA H 98 4.869 4.869 4.600 0.269 17598 6784 1 14 . 1 1 98 98 THR CA C 98 60.265 60.265 60.215 0.050 17598 6785 1 14 . 1 1 98 98 THR CB C 98 70.650 70.650 70.176 0.474 17598 6786 1 14 . 1 1 98 98 THR H H 98 8.410 8.410 8.903 -0.493 17598 6787 1 14 . 1 1 99 99 LEU N N 99 126.344 126.344 124.282 2.062 17598 6788 1 14 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.086 -0.001 17598 6789 1 14 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.585 -0.814 17598 6790 1 14 . 1 1 99 99 LEU CB C 99 43.053 43.053 41.934 1.119 17598 6791 1 14 . 1 1 99 99 LEU H H 99 7.806 7.806 7.914 -0.108 17598 6792 1 14 . 1 1 100 100 LYS N N 100 128.063 128.063 123.427 4.636 17598 6793 1 14 . 1 1 100 100 LYS HA H 100 4.395 4.395 3.967 0.428 17598 6794 1 14 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.958 -1.043 17598 6795 1 14 . 1 1 100 100 LYS CB C 100 33.060 33.060 30.804 2.256 17598 6796 1 14 . 1 1 100 100 LYS H H 100 8.816 8.816 8.968 -0.152 17598 6797 1 14 . 1 1 101 101 GLU N N 101 123.531 123.531 118.501 5.030 17598 6798 1 14 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.269 -0.280 17598 6799 1 14 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.577 -0.607 17598 6800 1 14 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.988 -0.399 17598 6801 1 14 . 1 1 101 101 GLU H H 101 8.323 8.323 7.874 0.449 17598 6802 1 14 . 1 1 102 102 ARG N N 102 122.965 122.965 121.313 1.652 17598 6803 1 14 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.384 -0.017 17598 6804 1 14 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.219 -0.446 17598 6805 1 14 . 1 1 102 102 ARG CB C 102 30.559 30.559 31.318 -0.759 17598 6806 1 14 . 1 1 102 102 ARG H H 102 8.414 8.414 8.543 -0.129 17598 6807 1 14 . 1 1 103 103 SER N N 103 117.435 117.435 116.636 0.799 17598 6808 1 14 . 1 1 103 103 SER HA H 103 4.431 4.431 4.502 -0.071 17598 6809 1 14 . 1 1 103 103 SER CA C 103 58.079 58.079 58.398 -0.319 17598 6810 1 14 . 1 1 103 103 SER CB C 103 63.554 63.554 63.743 -0.189 17598 6811 1 14 . 1 1 103 103 SER H H 103 8.423 8.423 8.332 0.091 17598 6812 1 14 . 1 1 104 104 LEU N N 104 124.423 124.423 123.572 0.851 17598 6813 1 14 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.438 -0.114 17598 6814 1 14 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.829 0.295 17598 6815 1 14 . 1 1 104 104 LEU CB C 104 41.989 41.989 44.903 -2.914 17598 6816 1 14 . 1 1 104 104 LEU H H 104 8.369 8.369 8.275 0.094 17598 6817 1 14 . 1 1 105 105 GLU N N 105 120.875 120.875 125.440 -4.565 17598 6818 1 14 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.787 -0.773 17598 6819 1 14 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.880 2.065 17598 6820 1 14 . 1 1 105 105 GLU CB C 105 29.846 29.846 29.665 0.181 17598 6821 1 14 . 1 1 105 105 GLU H H 105 8.249 8.249 8.674 -0.425 17598 6822 1 14 . 1 1 106 106 HIS N N 106 120.719 120.719 123.947 -3.228 17598 6823 1 14 . 1 1 106 106 HIS CA C 106 56.608 56.608 58.045 -1.437 17598 6824 1 14 . 1 1 106 106 HIS CB C 106 32.448 32.448 31.634 0.814 17598 6825 1 14 . 1 1 106 106 HIS H H 106 8.274 8.274 8.887 -0.613 17598 6826 1 14 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.326 0.260 17598 6827 1 14 . 1 1 107 107 HIS CA C 107 55.804 55.804 56.178 -0.374 17598 6828 1 14 . 1 1 107 107 HIS CB C 107 30.424 30.424 27.859 2.565 17598 6829 1 14 . 1 1 108 108 HIS N N 108 125.843 125.843 117.614 8.229 17598 6830 1 14 . 1 1 108 108 HIS CA C 108 57.105 57.105 57.066 0.039 17598 6831 1 14 . 1 1 108 108 HIS CB C 108 30.424 30.424 28.267 2.157 17598 6832 1 14 . 1 1 108 108 HIS H H 108 7.941 7.941 8.643 -0.702 17598 6833 1 15 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.542 -0.167 17598 6834 1 15 . 1 1 2 2 LEU CA C 2 55.350 55.350 55.150 0.200 17598 6835 1 15 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.480 -0.432 17598 6836 1 15 . 1 1 3 3 THR N N 3 114.937 114.937 119.317 -4.380 17598 6837 1 15 . 1 1 3 3 THR HA H 3 4.205 4.205 4.450 -0.245 17598 6838 1 15 . 1 1 3 3 THR CA C 3 62.493 62.493 61.324 1.169 17598 6839 1 15 . 1 1 3 3 THR CB C 3 69.391 69.391 68.962 0.429 17598 6840 1 15 . 1 1 3 3 THR H H 3 8.316 8.316 8.706 -0.390 17598 6841 1 15 . 1 1 4 4 VAL N N 4 122.438 122.438 120.583 1.855 17598 6842 1 15 . 1 1 4 4 VAL HA H 4 4.068 4.068 3.749 0.319 17598 6843 1 15 . 1 1 4 4 VAL CA C 4 62.493 62.493 63.358 -0.866 17598 6844 1 15 . 1 1 4 4 VAL CB C 4 32.358 32.358 30.837 1.522 17598 6845 1 15 . 1 1 4 4 VAL H H 4 7.953 7.953 8.026 -0.073 17598 6846 1 15 . 1 1 5 5 ARG N N 5 124.781 124.781 124.080 0.701 17598 6847 1 15 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.569 -0.219 17598 6848 1 15 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.525 0.317 17598 6849 1 15 . 1 1 5 5 ARG CB C 5 30.643 30.643 29.525 1.118 17598 6850 1 15 . 1 1 5 5 ARG H H 5 8.319 8.319 8.527 -0.208 17598 6851 1 15 . 1 1 6 6 GLN N N 6 121.656 121.656 119.686 1.970 17598 6852 1 15 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.764 0.078 17598 6853 1 15 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.146 0.043 17598 6854 1 15 . 1 1 6 6 GLN H H 6 8.373 8.373 8.205 0.168 17598 6855 1 15 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.340 -0.531 17598 6856 1 15 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.132 -1.300 17598 6857 1 15 . 1 1 7 7 LYS CB C 7 30.063 30.063 30.693 -0.630 17598 6858 1 15 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.145 -0.416 17598 6859 1 15 . 1 1 8 8 GLY H H 8 8.407 8.407 8.500 -0.093 17598 6860 1 15 . 1 1 9 9 ASN N N 9 118.812 118.812 121.676 -2.864 17598 6861 1 15 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.836 -0.120 17598 6862 1 15 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.789 0.094 17598 6863 1 15 . 1 1 9 9 ASN CB C 9 38.892 38.892 37.275 1.617 17598 6864 1 15 . 1 1 9 9 ASN H H 9 8.337 8.337 8.593 -0.256 17598 6865 1 15 . 1 1 10 10 LYS N N 10 122.131 122.131 121.206 0.925 17598 6866 1 15 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.507 -0.175 17598 6867 1 15 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.052 -0.082 17598 6868 1 15 . 1 1 10 10 LYS CB C 10 32.574 32.574 32.409 0.165 17598 6869 1 15 . 1 1 10 10 LYS H H 10 8.253 8.253 8.110 0.143 17598 6870 1 15 . 1 1 11 11 VAL N N 11 123.026 123.026 119.797 3.229 17598 6871 1 15 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.101 0.035 17598 6872 1 15 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.408 0.597 17598 6873 1 15 . 1 1 11 11 VAL CB C 11 32.822 32.822 32.848 -0.026 17598 6874 1 15 . 1 1 11 11 VAL H H 11 8.428 8.428 7.410 1.018 17598 6875 1 15 . 1 1 12 12 ILE N N 12 127.174 127.174 122.955 4.219 17598 6876 1 15 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.239 -0.135 17598 6877 1 15 . 1 1 12 12 ILE CA C 12 60.002 60.002 61.406 -1.404 17598 6878 1 15 . 1 1 12 12 ILE CB C 12 37.733 37.733 37.543 0.190 17598 6879 1 15 . 1 1 12 12 ILE H H 12 8.345 8.345 8.479 -0.134 17598 6880 1 15 . 1 1 13 13 LYS N N 13 122.906 122.906 125.222 -2.316 17598 6881 1 15 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.672 -0.855 17598 6882 1 15 . 1 1 13 13 LYS CA C 13 53.957 53.957 52.794 1.163 17598 6883 1 15 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.661 -0.144 17598 6884 1 15 . 1 1 13 13 LYS H H 13 7.662 7.662 8.222 -0.560 17598 6885 1 15 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.283 -0.358 17598 6886 1 15 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.195 0.342 17598 6887 1 15 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.675 -0.082 17598 6888 1 15 . 1 1 15 15 ASP N N 15 121.969 121.969 118.735 3.234 17598 6889 1 15 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.326 0.197 17598 6890 1 15 . 1 1 15 15 ASP CA C 15 52.974 52.974 54.519 -1.545 17598 6891 1 15 . 1 1 15 15 ASP CB C 15 40.470 40.470 41.231 -0.761 17598 6892 1 15 . 1 1 15 15 ASP H H 15 8.607 8.607 8.312 0.295 17598 6893 1 15 . 1 1 16 16 GLU N N 16 126.813 126.813 117.829 8.984 17598 6894 1 15 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.358 -0.166 17598 6895 1 15 . 1 1 16 16 GLU CA C 16 57.651 57.651 55.999 1.652 17598 6896 1 15 . 1 1 16 16 GLU CB C 16 29.207 29.207 30.121 -0.914 17598 6897 1 15 . 1 1 16 16 GLU H H 16 9.032 9.032 8.341 0.691 17598 6898 1 15 . 1 1 17 17 THR N N 17 110.875 110.875 113.392 -2.517 17598 6899 1 15 . 1 1 17 17 THR HA H 17 4.313 4.313 3.855 0.458 17598 6900 1 15 . 1 1 17 17 THR CA C 17 61.660 61.660 63.449 -1.789 17598 6901 1 15 . 1 1 17 17 THR CB C 17 69.392 69.392 68.087 1.305 17598 6902 1 15 . 1 1 17 17 THR H H 17 8.453 8.453 8.555 -0.102 17598 6903 1 15 . 1 1 18 18 ARG N N 18 124.313 124.313 120.267 4.046 17598 6904 1 15 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.336 -0.229 17598 6905 1 15 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.978 -0.045 17598 6906 1 15 . 1 1 18 18 ARG CB C 18 31.021 31.021 31.201 -0.180 17598 6907 1 15 . 1 1 18 18 ARG H H 18 6.969 6.969 7.767 -0.798 17598 6908 1 15 . 1 1 19 19 VAL N N 19 127.750 127.750 116.566 11.184 17598 6909 1 15 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.916 -0.123 17598 6910 1 15 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.733 -1.203 17598 6911 1 15 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.365 -1.344 17598 6912 1 15 . 1 1 19 19 VAL H H 19 8.494 8.494 8.114 0.380 17598 6913 1 15 . 1 1 20 20 LYS N N 20 129.005 129.005 122.759 6.246 17598 6914 1 15 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.677 -0.595 17598 6915 1 15 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.074 1.723 17598 6916 1 15 . 1 1 20 20 LYS CB C 20 33.025 33.025 33.156 -0.131 17598 6917 1 15 . 1 1 20 20 LYS H H 20 8.406 8.406 8.041 0.365 17598 6918 1 15 . 1 1 21 21 GLN N N 21 122.125 122.125 123.120 -0.995 17598 6919 1 15 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.288 0.143 17598 6920 1 15 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.284 0.413 17598 6921 1 15 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.485 -0.279 17598 6922 1 15 . 1 1 21 21 GLN H H 21 9.783 9.783 8.550 1.233 17598 6923 1 15 . 1 1 22 22 PHE N N 22 126.785 126.785 120.489 6.296 17598 6924 1 15 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.280 0.012 17598 6925 1 15 . 1 1 22 22 PHE CA C 22 61.906 61.906 61.313 0.593 17598 6926 1 15 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.171 -0.066 17598 6927 1 15 . 1 1 22 22 PHE H H 22 9.214 9.214 8.468 0.746 17598 6928 1 15 . 1 1 23 23 LEU N N 23 115.846 115.846 118.622 -2.776 17598 6929 1 15 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.278 -0.158 17598 6930 1 15 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.458 -0.100 17598 6931 1 15 . 1 1 23 23 LEU CB C 23 40.097 40.097 39.910 0.187 17598 6932 1 15 . 1 1 23 23 LEU H H 23 9.173 9.173 7.962 1.211 17598 6933 1 15 . 1 1 24 24 GLU N N 24 117.032 117.032 118.947 -1.915 17598 6934 1 15 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.326 0.485 17598 6935 1 15 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.565 -0.910 17598 6936 1 15 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.220 0.078 17598 6937 1 15 . 1 1 24 24 GLU H H 24 7.789 7.789 8.472 -0.683 17598 6938 1 15 . 1 1 25 25 GLY N N 25 105.050 105.050 106.346 -1.296 17598 6939 1 15 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.237 0.170 17598 6940 1 15 . 1 1 25 25 GLY H H 25 7.640 7.640 7.217 0.423 17598 6941 1 15 . 1 1 26 26 PHE N N 26 115.467 115.467 118.068 -2.601 17598 6942 1 15 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.689 -0.185 17598 6943 1 15 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.529 -0.001 17598 6944 1 15 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.144 1.973 17598 6945 1 15 . 1 1 26 26 PHE H H 26 6.508 6.508 7.211 -0.703 17598 6946 1 15 . 1 1 27 27 ASN N N 27 118.006 118.006 118.566 -0.560 17598 6947 1 15 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.543 -0.055 17598 6948 1 15 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.266 -1.237 17598 6949 1 15 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.260 -1.542 17598 6950 1 15 . 1 1 27 27 ASN H H 27 8.788 8.788 8.718 0.070 17598 6951 1 15 . 1 1 28 28 ILE N N 28 129.126 129.126 121.912 7.214 17598 6952 1 15 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.842 -0.154 17598 6953 1 15 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.586 1.321 17598 6954 1 15 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.318 0.725 17598 6955 1 15 . 1 1 28 28 ILE H H 28 9.557 9.557 8.385 1.172 17598 6956 1 15 . 1 1 29 29 GLU N N 29 120.068 120.068 118.704 1.364 17598 6957 1 15 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.085 0.144 17598 6958 1 15 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.744 -0.397 17598 6959 1 15 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.695 -0.566 17598 6960 1 15 . 1 1 29 29 GLU H H 29 9.064 9.064 8.696 0.368 17598 6961 1 15 . 1 1 30 30 THR N N 30 109.404 109.404 109.530 -0.126 17598 6962 1 15 . 1 1 30 30 THR HA H 30 4.303 4.303 4.085 0.218 17598 6963 1 15 . 1 1 30 30 THR CA C 30 62.079 62.079 63.462 -1.383 17598 6964 1 15 . 1 1 30 30 THR CB C 30 69.583 69.583 68.665 0.918 17598 6965 1 15 . 1 1 30 30 THR H H 30 7.789 7.789 7.278 0.511 17598 6966 1 15 . 1 1 31 31 PHE N N 31 120.250 120.250 119.683 0.567 17598 6967 1 15 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.845 0.581 17598 6968 1 15 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.720 -0.264 17598 6969 1 15 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.459 -0.466 17598 6970 1 15 . 1 1 31 31 PHE H H 31 7.236 7.236 7.035 0.201 17598 6971 1 15 . 1 1 32 32 GLU N N 32 118.531 118.531 118.638 -0.107 17598 6972 1 15 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.759 0.028 17598 6973 1 15 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.946 -1.017 17598 6974 1 15 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.948 -0.255 17598 6975 1 15 . 1 1 32 32 GLU H H 32 8.644 8.644 9.113 -0.469 17598 6976 1 15 . 1 1 33 33 MET N N 33 127.438 127.438 126.018 1.420 17598 6977 1 15 . 1 1 33 33 MET HA H 33 4.643 4.643 4.216 0.427 17598 6978 1 15 . 1 1 33 33 MET CA C 33 56.411 56.411 57.647 -1.236 17598 6979 1 15 . 1 1 33 33 MET CB C 33 32.050 32.050 33.233 -1.183 17598 6980 1 15 . 1 1 33 33 MET H H 33 9.679 9.679 9.065 0.614 17598 6981 1 15 . 1 1 34 34 VAL N N 34 119.176 119.176 124.830 -5.654 17598 6982 1 15 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.494 0.280 17598 6983 1 15 . 1 1 34 34 VAL CA C 34 60.996 60.996 60.975 0.021 17598 6984 1 15 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.788 -0.939 17598 6985 1 15 . 1 1 34 34 VAL H H 34 8.897 8.897 8.770 0.127 17598 6986 1 15 . 1 1 35 35 GLY N N 35 108.249 108.249 107.073 1.176 17598 6987 1 15 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.397 -0.213 17598 6988 1 15 . 1 1 35 35 GLY H H 35 7.589 7.589 8.020 -0.431 17598 6989 1 15 . 1 1 36 36 THR N N 36 110.562 110.562 112.622 -2.060 17598 6990 1 15 . 1 1 36 36 THR HA H 36 5.088 5.088 4.623 0.465 17598 6991 1 15 . 1 1 36 36 THR CA C 36 60.060 60.060 60.584 -0.524 17598 6992 1 15 . 1 1 36 36 THR CB C 36 72.335 72.335 71.976 0.359 17598 6993 1 15 . 1 1 36 36 THR H H 36 8.300 8.300 8.100 0.200 17598 6994 1 15 . 1 1 37 37 LEU N N 37 122.334 122.334 124.625 -2.291 17598 6995 1 15 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.872 -0.167 17598 6996 1 15 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.361 1.160 17598 6997 1 15 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.452 0.863 17598 6998 1 15 . 1 1 37 37 LEU H H 37 8.886 8.886 8.938 -0.052 17598 6999 1 15 . 1 1 38 38 SER N N 38 119.156 119.156 119.579 -0.423 17598 7000 1 15 . 1 1 38 38 SER HA H 38 5.489 5.489 5.428 0.061 17598 7001 1 15 . 1 1 38 38 SER CA C 38 56.819 56.819 57.346 -0.527 17598 7002 1 15 . 1 1 38 38 SER CB C 38 64.655 64.655 65.106 -0.452 17598 7003 1 15 . 1 1 38 38 SER H H 38 8.694 8.694 8.509 0.185 17598 7004 1 15 . 1 1 39 39 ASN N N 39 124.156 124.156 123.480 0.676 17598 7005 1 15 . 1 1 39 39 ASN CA C 39 51.804 51.804 52.894 -1.090 17598 7006 1 15 . 1 1 39 39 ASN CB C 39 38.863 38.863 38.689 0.174 17598 7007 1 15 . 1 1 39 39 ASN H H 39 9.068 9.068 8.982 0.086 17598 7008 1 15 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.113 0.054 17598 7009 1 15 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.642 0.085 17598 7010 1 15 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.273 -0.062 17598 7011 1 15 . 1 1 41 41 GLN N N 41 114.937 114.937 116.872 -1.935 17598 7012 1 15 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.284 0.066 17598 7013 1 15 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.666 0.029 17598 7014 1 15 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.334 -0.346 17598 7015 1 15 . 1 1 41 41 GLN H H 41 8.399 8.399 8.513 -0.114 17598 7016 1 15 . 1 1 42 42 GLY N N 42 108.502 108.502 106.053 2.449 17598 7017 1 15 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.663 -0.093 17598 7018 1 15 . 1 1 42 42 GLY H H 42 7.892 7.892 7.785 0.107 17598 7019 1 15 . 1 1 43 43 THR N N 43 116.344 116.344 117.415 -1.071 17598 7020 1 15 . 1 1 43 43 THR HA H 43 3.749 3.749 5.161 -1.412 17598 7021 1 15 . 1 1 43 43 THR CA C 43 69.834 69.834 61.860 7.974 17598 7022 1 15 . 1 1 43 43 THR CB C 43 70.316 70.316 69.092 1.224 17598 7023 1 15 . 1 1 43 43 THR H H 43 7.762 7.762 7.906 -0.144 17598 7024 1 15 . 1 1 44 44 PHE N N 44 123.688 123.688 125.813 -2.125 17598 7025 1 15 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.624 0.482 17598 7026 1 15 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.544 -0.997 17598 7027 1 15 . 1 1 44 44 PHE CB C 44 41.905 41.905 40.926 0.979 17598 7028 1 15 . 1 1 44 44 PHE H H 44 9.283 9.283 8.833 0.450 17598 7029 1 15 . 1 1 45 45 ALA N N 45 122.438 122.438 122.757 -0.319 17598 7030 1 15 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.833 0.118 17598 7031 1 15 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.655 -0.545 17598 7032 1 15 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.081 0.556 17598 7033 1 15 . 1 1 45 45 ALA H H 45 9.579 9.579 9.254 0.325 17598 7034 1 15 . 1 1 46 46 LEU N N 46 121.500 121.500 126.119 -4.619 17598 7035 1 15 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.140 0.003 17598 7036 1 15 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.891 -0.909 17598 7037 1 15 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.566 -0.148 17598 7038 1 15 . 1 1 46 46 LEU H H 46 8.472 8.472 8.809 -0.337 17598 7039 1 15 . 1 1 47 47 VAL N N 47 122.125 122.125 123.822 -1.697 17598 7040 1 15 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.473 0.442 17598 7041 1 15 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.388 0.035 17598 7042 1 15 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.191 -0.363 17598 7043 1 15 . 1 1 47 47 VAL H H 47 9.175 9.175 8.906 0.269 17598 7044 1 15 . 1 1 48 48 LYS N N 48 129.000 129.000 124.428 4.572 17598 7045 1 15 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.823 0.375 17598 7046 1 15 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.339 0.387 17598 7047 1 15 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.949 -0.916 17598 7048 1 15 . 1 1 48 48 LYS H H 48 9.675 9.675 8.773 0.902 17598 7049 1 15 . 1 1 49 49 GLY N N 49 113.844 113.844 110.828 3.016 17598 7050 1 15 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.786 -0.910 17598 7051 1 15 . 1 1 49 49 GLY H H 49 8.792 8.792 8.682 0.110 17598 7052 1 15 . 1 1 50 50 ALA N N 50 123.844 123.844 121.728 2.116 17598 7053 1 15 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.548 -0.096 17598 7054 1 15 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.987 -0.005 17598 7055 1 15 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.243 -0.293 17598 7056 1 15 . 1 1 50 50 ALA H H 50 8.963 8.963 8.829 0.134 17598 7057 1 15 . 1 1 51 51 GLY N N 51 105.406 105.406 103.402 2.004 17598 7058 1 15 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.317 0.227 17598 7059 1 15 . 1 1 51 51 GLY H H 51 8.582 8.582 8.348 0.234 17598 7060 1 15 . 1 1 52 52 GLY N N 52 108.644 108.644 106.801 1.843 17598 7061 1 15 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.892 0.257 17598 7062 1 15 . 1 1 52 52 GLY H H 52 7.692 7.692 7.882 -0.190 17598 7063 1 15 . 1 1 53 53 VAL N N 53 121.656 121.656 116.481 5.175 17598 7064 1 15 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.658 -0.071 17598 7065 1 15 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.267 1.478 17598 7066 1 15 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.199 -1.232 17598 7067 1 15 . 1 1 53 53 VAL H H 53 7.928 7.928 8.279 -0.351 17598 7068 1 15 . 1 1 54 54 HIS N N 54 128.219 128.219 123.394 4.825 17598 7069 1 15 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.027 -0.404 17598 7070 1 15 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.947 0.919 17598 7071 1 15 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.127 1.176 17598 7072 1 15 . 1 1 54 54 HIS H H 54 9.188 9.188 8.775 0.413 17598 7073 1 15 . 1 1 55 55 ARG N N 55 122.125 122.125 121.973 0.152 17598 7074 1 15 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.266 -0.239 17598 7075 1 15 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.916 0.368 17598 7076 1 15 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.218 -1.461 17598 7077 1 15 . 1 1 55 55 ARG H H 55 8.816 8.816 8.542 0.274 17598 7078 1 15 . 1 1 56 56 VAL N N 56 124.229 124.229 117.249 6.980 17598 7079 1 15 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.994 -0.286 17598 7080 1 15 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.446 0.236 17598 7081 1 15 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.010 -0.542 17598 7082 1 15 . 1 1 56 56 VAL H H 56 9.444 9.444 8.978 0.466 17598 7083 1 15 . 1 1 57 57 ARG N N 57 124.554 124.554 122.703 1.851 17598 7084 1 15 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.722 0.101 17598 7085 1 15 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.471 -0.147 17598 7086 1 15 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.922 1.063 17598 7087 1 15 . 1 1 57 57 ARG H H 57 9.124 9.124 8.884 0.240 17598 7088 1 15 . 1 1 58 58 VAL N N 58 120.250 120.250 121.184 -0.934 17598 7089 1 15 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.573 -0.218 17598 7090 1 15 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.023 0.423 17598 7091 1 15 . 1 1 58 58 VAL CB C 58 30.932 30.932 31.460 -0.528 17598 7092 1 15 . 1 1 58 58 VAL H H 58 8.327 8.327 8.453 -0.126 17598 7093 1 15 . 1 1 59 59 GLY N N 59 117.437 117.437 116.715 0.722 17598 7094 1 15 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.491 0.084 17598 7095 1 15 . 1 1 59 59 GLY H H 59 9.097 9.097 8.570 0.527 17598 7096 1 15 . 1 1 60 60 ASP N N 60 121.031 121.031 122.699 -1.668 17598 7097 1 15 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.539 0.412 17598 7098 1 15 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.191 -0.849 17598 7099 1 15 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.444 0.314 17598 7100 1 15 . 1 1 60 60 ASP H H 60 7.800 7.800 7.915 -0.115 17598 7101 1 15 . 1 1 61 61 TYR N N 61 115.406 115.406 115.757 -0.351 17598 7102 1 15 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.408 0.182 17598 7103 1 15 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.781 0.012 17598 7104 1 15 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.419 1.151 17598 7105 1 15 . 1 1 61 61 TYR H H 61 7.834 7.834 8.256 -0.422 17598 7106 1 15 . 1 1 62 62 LEU N N 62 117.750 117.750 118.122 -0.372 17598 7107 1 15 . 1 1 62 62 LEU HA H 62 4.301 4.301 5.119 -0.818 17598 7108 1 15 . 1 1 62 62 LEU CA C 62 53.997 53.997 53.882 0.115 17598 7109 1 15 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.405 1.365 17598 7110 1 15 . 1 1 62 62 LEU H H 62 9.362 9.362 8.761 0.601 17598 7111 1 15 . 1 1 63 63 GLY N N 63 107.303 107.303 106.936 0.367 17598 7112 1 15 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.026 -0.738 17598 7113 1 15 . 1 1 63 63 GLY H H 63 7.945 7.945 8.028 -0.083 17598 7114 1 15 . 1 1 64 64 ARG N N 64 113.687 113.687 120.912 -7.225 17598 7115 1 15 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.093 0.348 17598 7116 1 15 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.894 -0.625 17598 7117 1 15 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.508 0.238 17598 7118 1 15 . 1 1 64 64 ARG H H 64 8.424 8.424 8.486 -0.062 17598 7119 1 15 . 1 1 65 65 ASN N N 65 121.626 121.626 116.221 5.405 17598 7120 1 15 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.800 0.699 17598 7121 1 15 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.780 0.576 17598 7122 1 15 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.247 1.269 17598 7123 1 15 . 1 1 65 65 ASN H H 65 9.529 9.529 8.058 1.471 17598 7124 1 15 . 1 1 66 66 ASP N N 66 116.656 116.656 116.577 0.079 17598 7125 1 15 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.271 -0.372 17598 7126 1 15 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.262 -0.474 17598 7127 1 15 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.415 1.005 17598 7128 1 15 . 1 1 66 66 ASP H H 66 9.397 9.397 7.862 1.535 17598 7129 1 15 . 1 1 67 67 GLY N N 67 100.587 100.587 106.236 -5.649 17598 7130 1 15 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.226 2.785 17598 7131 1 15 . 1 1 67 67 GLY H H 67 7.424 7.424 8.329 -0.905 17598 7132 1 15 . 1 1 68 68 LYS N N 68 130.952 130.952 128.228 2.724 17598 7133 1 15 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.836 -0.988 17598 7134 1 15 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.015 -0.036 17598 7135 1 15 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.712 -0.255 17598 7136 1 15 . 1 1 68 68 LYS H H 68 8.121 8.121 8.707 -0.586 17598 7137 1 15 . 1 1 69 69 VAL N N 69 126.813 126.813 127.718 -0.905 17598 7138 1 15 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.795 0.317 17598 7139 1 15 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.437 -1.154 17598 7140 1 15 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.227 -0.493 17598 7141 1 15 . 1 1 69 69 VAL H H 69 9.113 9.113 8.486 0.627 17598 7142 1 15 . 1 1 70 70 VAL N N 70 122.594 122.594 125.024 -2.430 17598 7143 1 15 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.566 0.039 17598 7144 1 15 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.453 -0.556 17598 7145 1 15 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.485 -0.842 17598 7146 1 15 . 1 1 70 70 VAL H H 70 8.968 8.968 8.629 0.339 17598 7147 1 15 . 1 1 71 71 GLY N N 71 110.562 110.562 109.489 1.073 17598 7148 1 15 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.550 1.649 17598 7149 1 15 . 1 1 71 71 GLY H H 71 7.638 7.638 8.116 -0.478 17598 7150 1 15 . 1 1 72 72 ILE N N 72 123.063 123.063 122.828 0.235 17598 7151 1 15 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.240 0.219 17598 7152 1 15 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.711 0.663 17598 7153 1 15 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.705 2.676 17598 7154 1 15 . 1 1 72 72 ILE H H 72 8.404 8.404 8.442 -0.038 17598 7155 1 15 . 1 1 73 73 SER N N 73 123.531 123.531 120.692 2.839 17598 7156 1 15 . 1 1 73 73 SER HA H 73 4.723 4.723 4.660 0.063 17598 7157 1 15 . 1 1 73 73 SER CA C 73 56.220 56.220 56.410 -0.190 17598 7158 1 15 . 1 1 73 73 SER CB C 73 65.450 65.450 65.311 0.138 17598 7159 1 15 . 1 1 73 73 SER H H 73 8.801 8.801 8.690 0.111 17598 7160 1 15 . 1 1 74 74 GLU N N 74 116.656 116.656 116.631 0.025 17598 7161 1 15 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.372 -0.068 17598 7162 1 15 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.704 -0.974 17598 7163 1 15 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.454 -1.352 17598 7164 1 15 . 1 1 74 74 GLU H H 74 8.537 8.537 8.547 -0.010 17598 7165 1 15 . 1 1 75 75 GLY N N 75 102.989 102.989 104.933 -1.944 17598 7166 1 15 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.036 -0.018 17598 7167 1 15 . 1 1 75 75 GLY H H 75 8.124 8.124 7.758 0.366 17598 7168 1 15 . 1 1 76 76 LYS N N 76 120.094 120.094 118.231 1.863 17598 7169 1 15 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.059 0.202 17598 7170 1 15 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.475 1.126 17598 7171 1 15 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.921 0.490 17598 7172 1 15 . 1 1 76 76 LYS H H 76 7.546 7.546 7.589 -0.043 17598 7173 1 15 . 1 1 77 77 ILE N N 77 121.344 121.344 121.738 -0.394 17598 7174 1 15 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.600 -0.050 17598 7175 1 15 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.885 0.963 17598 7176 1 15 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.098 1.518 17598 7177 1 15 . 1 1 77 77 ILE H H 77 8.776 8.776 8.717 0.059 17598 7178 1 15 . 1 1 78 78 ASP N N 78 126.813 126.813 129.267 -2.454 17598 7179 1 15 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.474 -0.273 17598 7180 1 15 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.551 -0.431 17598 7181 1 15 . 1 1 78 78 ASP CB C 78 42.952 42.952 42.521 0.431 17598 7182 1 15 . 1 1 78 78 ASP H H 78 8.964 8.964 8.457 0.507 17598 7183 1 15 . 1 1 79 79 VAL N N 79 124.156 124.156 117.202 6.954 17598 7184 1 15 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.061 0.118 17598 7185 1 15 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.347 -0.073 17598 7186 1 15 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.206 -0.127 17598 7187 1 15 . 1 1 79 79 VAL H H 79 9.060 9.060 9.216 -0.156 17598 7188 1 15 . 1 1 80 80 ILE N N 80 126.656 126.656 122.448 4.208 17598 7189 1 15 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.571 -0.076 17598 7190 1 15 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.151 2.032 17598 7191 1 15 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.851 1.436 17598 7192 1 15 . 1 1 80 80 ILE H H 80 8.812 8.812 8.973 -0.161 17598 7193 1 15 . 1 1 81 81 GLU N N 81 126.656 126.656 128.103 -1.447 17598 7194 1 15 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.917 -0.295 17598 7195 1 15 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.952 0.122 17598 7196 1 15 . 1 1 81 81 GLU CB C 81 32.643 32.643 32.950 -0.307 17598 7197 1 15 . 1 1 81 81 GLU H H 81 8.283 8.283 8.637 -0.354 17598 7198 1 15 . 1 1 82 82 ILE N N 82 120.094 120.094 121.817 -1.723 17598 7199 1 15 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.063 -0.030 17598 7200 1 15 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.868 1.360 17598 7201 1 15 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.275 0.763 17598 7202 1 15 . 1 1 82 82 ILE H H 82 8.252 8.252 8.691 -0.439 17598 7203 1 15 . 1 1 83 83 VAL N N 83 120.094 120.094 126.204 -6.110 17598 7204 1 15 . 1 1 83 83 VAL HA H 83 5.222 5.222 4.842 0.380 17598 7205 1 15 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.888 -0.665 17598 7206 1 15 . 1 1 83 83 VAL CB C 83 33.593 33.593 36.303 -2.710 17598 7207 1 15 . 1 1 83 83 VAL H H 83 9.201 9.201 9.008 0.193 17598 7208 1 15 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.488 -0.113 17598 7209 1 15 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.316 -0.274 17598 7210 1 15 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.204 -0.347 17598 7211 1 15 . 1 1 85 85 ASP N N 85 120.250 120.250 121.376 -1.126 17598 7212 1 15 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.513 -0.008 17598 7213 1 15 . 1 1 85 85 ASP CA C 85 52.497 52.497 53.833 -1.336 17598 7214 1 15 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.725 -0.491 17598 7215 1 15 . 1 1 85 85 ASP H H 85 8.083 8.083 8.601 -0.518 17598 7216 1 15 . 1 1 86 86 GLY N N 86 109.156 109.156 107.671 1.485 17598 7217 1 15 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.218 -0.166 17598 7218 1 15 . 1 1 86 86 GLY H H 86 8.160 8.160 8.105 0.055 17598 7219 1 15 . 1 1 87 87 GLU N N 87 120.719 120.719 121.106 -0.387 17598 7220 1 15 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.203 0.238 17598 7221 1 15 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.643 -1.664 17598 7222 1 15 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.260 -0.098 17598 7223 1 15 . 1 1 87 87 GLU H H 87 8.663 8.663 8.465 0.198 17598 7224 1 15 . 1 1 88 88 GLY N N 88 109.312 109.312 104.150 5.162 17598 7225 1 15 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.480 0.285 17598 7226 1 15 . 1 1 88 88 GLY H H 88 8.417 8.417 8.106 0.311 17598 7227 1 15 . 1 1 89 89 ASN N N 89 119.625 119.625 118.694 0.931 17598 7228 1 15 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.679 0.318 17598 7229 1 15 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.154 -1.185 17598 7230 1 15 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.210 0.878 17598 7231 1 15 . 1 1 89 89 ASN H H 89 8.331 8.331 7.668 0.663 17598 7232 1 15 . 1 1 90 90 TRP N N 90 121.188 121.188 119.429 1.759 17598 7233 1 15 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.039 0.122 17598 7234 1 15 . 1 1 90 90 TRP CA C 90 56.770 56.770 57.074 -0.304 17598 7235 1 15 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.676 0.585 17598 7236 1 15 . 1 1 90 90 TRP H H 90 8.538 8.538 8.396 0.142 17598 7237 1 15 . 1 1 91 91 LEU N N 91 121.031 121.031 120.453 0.578 17598 7238 1 15 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.768 0.047 17598 7239 1 15 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.696 0.660 17598 7240 1 15 . 1 1 91 91 LEU CB C 91 45.243 45.243 47.281 -2.038 17598 7241 1 15 . 1 1 91 91 LEU H H 91 9.518 9.518 8.807 0.711 17598 7242 1 15 . 1 1 92 92 GLU N N 92 119.156 119.156 121.764 -2.608 17598 7243 1 15 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.898 0.154 17598 7244 1 15 . 1 1 92 92 GLU CA C 92 55.360 55.360 55.346 0.014 17598 7245 1 15 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.650 0.752 17598 7246 1 15 . 1 1 92 92 GLU H H 92 8.490 8.490 8.567 -0.077 17598 7247 1 15 . 1 1 93 93 ARG N N 93 124.938 124.938 122.199 2.739 17598 7248 1 15 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.783 0.281 17598 7249 1 15 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.688 0.006 17598 7250 1 15 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.819 2.342 17598 7251 1 15 . 1 1 93 93 ARG H H 93 9.283 9.283 8.692 0.591 17598 7252 1 15 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.809 0.434 17598 7253 1 15 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.885 -0.632 17598 7254 1 15 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.439 1.135 17598 7255 1 15 . 1 1 95 95 ARG N N 95 120.416 120.416 126.312 -5.896 17598 7256 1 15 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.642 0.054 17598 7257 1 15 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.993 -0.370 17598 7258 1 15 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.576 -0.184 17598 7259 1 15 . 1 1 95 95 ARG H H 95 9.115 9.115 8.732 0.383 17598 7260 1 15 . 1 1 96 96 SER N N 96 115.719 115.719 117.513 -1.794 17598 7261 1 15 . 1 1 96 96 SER HA H 96 5.781 5.781 5.404 0.377 17598 7262 1 15 . 1 1 96 96 SER CA C 96 56.824 56.824 56.597 0.227 17598 7263 1 15 . 1 1 96 96 SER CB C 96 65.906 65.906 65.001 0.905 17598 7264 1 15 . 1 1 96 96 SER H H 96 8.676 8.676 8.490 0.186 17598 7265 1 15 . 1 1 97 97 LEU N N 97 126.188 126.188 127.317 -1.129 17598 7266 1 15 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.701 0.172 17598 7267 1 15 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.605 1.429 17598 7268 1 15 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.475 1.456 17598 7269 1 15 . 1 1 97 97 LEU H H 97 9.030 9.030 9.067 -0.037 17598 7270 1 15 . 1 1 98 98 THR N N 98 113.687 113.687 115.514 -1.827 17598 7271 1 15 . 1 1 98 98 THR HA H 98 4.869 4.869 4.478 0.391 17598 7272 1 15 . 1 1 98 98 THR CA C 98 60.265 60.265 60.676 -0.411 17598 7273 1 15 . 1 1 98 98 THR CB C 98 70.650 70.650 69.950 0.700 17598 7274 1 15 . 1 1 98 98 THR H H 98 8.410 8.410 8.269 0.141 17598 7275 1 15 . 1 1 99 99 LEU N N 99 126.344 126.344 123.325 3.019 17598 7276 1 15 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.212 -0.127 17598 7277 1 15 . 1 1 99 99 LEU CA C 99 55.771 55.771 55.969 -0.199 17598 7278 1 15 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.653 0.400 17598 7279 1 15 . 1 1 99 99 LEU H H 99 7.806 7.806 7.992 -0.186 17598 7280 1 15 . 1 1 100 100 LYS N N 100 128.063 128.063 127.412 0.651 17598 7281 1 15 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.189 0.206 17598 7282 1 15 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.355 -1.440 17598 7283 1 15 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.406 0.654 17598 7284 1 15 . 1 1 100 100 LYS H H 100 8.816 8.816 8.593 0.223 17598 7285 1 15 . 1 1 101 101 GLU N N 101 123.531 123.531 124.435 -0.904 17598 7286 1 15 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.670 -0.681 17598 7287 1 15 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.177 0.793 17598 7288 1 15 . 1 1 101 101 GLU CB C 101 30.589 30.589 31.351 -0.762 17598 7289 1 15 . 1 1 101 101 GLU H H 101 8.323 8.323 8.620 -0.297 17598 7290 1 15 . 1 1 102 102 ARG N N 102 122.965 122.965 118.733 4.232 17598 7291 1 15 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.461 -0.094 17598 7292 1 15 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.338 -0.564 17598 7293 1 15 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.666 -0.107 17598 7294 1 15 . 1 1 102 102 ARG H H 102 8.414 8.414 8.688 -0.274 17598 7295 1 15 . 1 1 103 103 SER N N 103 117.435 117.435 116.554 0.881 17598 7296 1 15 . 1 1 103 103 SER HA H 103 4.431 4.431 4.401 0.030 17598 7297 1 15 . 1 1 103 103 SER CA C 103 58.079 58.079 57.934 0.145 17598 7298 1 15 . 1 1 103 103 SER CB C 103 63.554 63.554 63.648 -0.094 17598 7299 1 15 . 1 1 103 103 SER H H 103 8.423 8.423 7.753 0.670 17598 7300 1 15 . 1 1 104 104 LEU N N 104 124.423 124.423 126.429 -2.006 17598 7301 1 15 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.258 0.066 17598 7302 1 15 . 1 1 104 104 LEU CA C 104 55.124 55.124 56.220 -1.096 17598 7303 1 15 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.786 -0.797 17598 7304 1 15 . 1 1 104 104 LEU H H 104 8.369 8.369 8.485 -0.116 17598 7305 1 15 . 1 1 105 105 GLU N N 105 120.875 120.875 120.072 0.803 17598 7306 1 15 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.542 -0.528 17598 7307 1 15 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.462 2.483 17598 7308 1 15 . 1 1 105 105 GLU CB C 105 29.846 29.846 31.664 -1.818 17598 7309 1 15 . 1 1 105 105 GLU H H 105 8.249 8.249 8.426 -0.177 17598 7310 1 15 . 1 1 106 106 HIS N N 106 120.719 120.719 119.423 1.296 17598 7311 1 15 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.902 0.706 17598 7312 1 15 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.060 2.388 17598 7313 1 15 . 1 1 106 106 HIS H H 106 8.274 8.274 8.688 -0.414 17598 7314 1 15 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.638 -0.051 17598 7315 1 15 . 1 1 107 107 HIS CA C 107 55.804 55.804 56.277 -0.473 17598 7316 1 15 . 1 1 107 107 HIS CB C 107 30.424 30.424 31.550 -1.126 17598 7317 1 15 . 1 1 108 108 HIS N N 108 125.843 125.843 123.568 2.275 17598 7318 1 15 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.169 1.936 17598 7319 1 15 . 1 1 108 108 HIS CB C 108 30.424 30.424 30.736 -0.312 17598 7320 1 15 . 1 1 108 108 HIS H H 108 7.941 7.941 7.917 0.024 17598 7321 1 16 . 1 1 2 2 LEU HA H 2 4.375 4.375 5.237 -0.862 17598 7322 1 16 . 1 1 2 2 LEU CA C 2 55.350 55.350 53.757 1.593 17598 7323 1 16 . 1 1 2 2 LEU CB C 2 42.048 42.048 44.576 -2.528 17598 7324 1 16 . 1 1 3 3 THR N N 3 114.937 114.937 113.006 1.931 17598 7325 1 16 . 1 1 3 3 THR HA H 3 4.205 4.205 4.505 -0.300 17598 7326 1 16 . 1 1 3 3 THR CA C 3 62.493 62.493 61.416 1.077 17598 7327 1 16 . 1 1 3 3 THR CB C 3 69.391 69.391 70.503 -1.112 17598 7328 1 16 . 1 1 3 3 THR H H 3 8.316 8.316 8.174 0.142 17598 7329 1 16 . 1 1 4 4 VAL N N 4 122.438 122.438 117.935 4.503 17598 7330 1 16 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.463 -0.395 17598 7331 1 16 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.729 0.764 17598 7332 1 16 . 1 1 4 4 VAL CB C 4 32.358 32.358 31.938 0.420 17598 7333 1 16 . 1 1 4 4 VAL H H 4 7.953 7.953 8.268 -0.315 17598 7334 1 16 . 1 1 5 5 ARG N N 5 124.781 124.781 124.217 0.564 17598 7335 1 16 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.776 -0.426 17598 7336 1 16 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.529 0.313 17598 7337 1 16 . 1 1 5 5 ARG CB C 5 30.643 30.643 31.173 -0.530 17598 7338 1 16 . 1 1 5 5 ARG H H 5 8.319 8.319 8.518 -0.199 17598 7339 1 16 . 1 1 6 6 GLN N N 6 121.656 121.656 122.420 -0.764 17598 7340 1 16 . 1 1 6 6 GLN CA C 6 55.842 55.842 56.266 -0.423 17598 7341 1 16 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.203 -1.014 17598 7342 1 16 . 1 1 6 6 GLN H H 6 8.373 8.373 8.611 -0.238 17598 7343 1 16 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.557 -0.748 17598 7344 1 16 . 1 1 7 7 LYS CA C 7 54.832 54.832 55.752 -0.920 17598 7345 1 16 . 1 1 7 7 LYS CB C 7 30.063 30.063 34.534 -4.471 17598 7346 1 16 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.645 0.084 17598 7347 1 16 . 1 1 8 8 GLY H H 8 8.407 8.407 8.328 0.079 17598 7348 1 16 . 1 1 9 9 ASN N N 9 118.812 118.812 117.362 1.450 17598 7349 1 16 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.781 -0.065 17598 7350 1 16 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.347 -0.464 17598 7351 1 16 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.265 -0.373 17598 7352 1 16 . 1 1 9 9 ASN H H 9 8.337 8.337 8.594 -0.257 17598 7353 1 16 . 1 1 10 10 LYS N N 10 122.131 122.131 121.849 0.282 17598 7354 1 16 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.361 -0.029 17598 7355 1 16 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.458 -0.488 17598 7356 1 16 . 1 1 10 10 LYS CB C 10 32.574 32.574 31.201 1.373 17598 7357 1 16 . 1 1 10 10 LYS H H 10 8.253 8.253 8.546 -0.293 17598 7358 1 16 . 1 1 11 11 VAL N N 11 123.026 123.026 116.095 6.931 17598 7359 1 16 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.403 -0.267 17598 7360 1 16 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.222 1.783 17598 7361 1 16 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.709 -1.887 17598 7362 1 16 . 1 1 11 11 VAL H H 11 8.428 8.428 7.648 0.780 17598 7363 1 16 . 1 1 12 12 ILE N N 12 127.174 127.174 118.077 9.097 17598 7364 1 16 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.720 -0.616 17598 7365 1 16 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.525 -0.523 17598 7366 1 16 . 1 1 12 12 ILE CB C 12 37.733 37.733 39.404 -1.671 17598 7367 1 16 . 1 1 12 12 ILE H H 12 8.345 8.345 8.159 0.186 17598 7368 1 16 . 1 1 13 13 LYS N N 13 122.906 122.906 120.177 2.729 17598 7369 1 16 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.926 -1.109 17598 7370 1 16 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.395 -0.438 17598 7371 1 16 . 1 1 13 13 LYS CB C 13 32.517 32.517 33.349 -0.832 17598 7372 1 16 . 1 1 13 13 LYS H H 13 7.662 7.662 8.269 -0.607 17598 7373 1 16 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.412 -0.487 17598 7374 1 16 . 1 1 14 14 PRO CA C 14 62.537 62.537 63.189 -0.652 17598 7375 1 16 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.881 -0.288 17598 7376 1 16 . 1 1 15 15 ASP N N 15 121.969 121.969 118.960 3.009 17598 7377 1 16 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.750 -0.227 17598 7378 1 16 . 1 1 15 15 ASP CA C 15 52.974 52.974 52.766 0.208 17598 7379 1 16 . 1 1 15 15 ASP CB C 15 40.470 40.470 43.364 -2.893 17598 7380 1 16 . 1 1 15 15 ASP H H 15 8.607 8.607 8.073 0.534 17598 7381 1 16 . 1 1 16 16 GLU N N 16 126.813 126.813 117.901 8.912 17598 7382 1 16 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.317 -0.125 17598 7383 1 16 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.374 0.277 17598 7384 1 16 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.930 -0.723 17598 7385 1 16 . 1 1 16 16 GLU H H 16 9.032 9.032 8.506 0.526 17598 7386 1 16 . 1 1 17 17 THR N N 17 110.875 110.875 114.997 -4.122 17598 7387 1 16 . 1 1 17 17 THR HA H 17 4.313 4.313 3.965 0.348 17598 7388 1 16 . 1 1 17 17 THR CA C 17 61.660 61.660 64.004 -2.344 17598 7389 1 16 . 1 1 17 17 THR CB C 17 69.392 69.392 68.764 0.628 17598 7390 1 16 . 1 1 17 17 THR H H 17 8.453 8.453 8.029 0.424 17598 7391 1 16 . 1 1 18 18 ARG N N 18 124.313 124.313 120.115 4.198 17598 7392 1 16 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.154 -0.047 17598 7393 1 16 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.146 -0.213 17598 7394 1 16 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.244 0.777 17598 7395 1 16 . 1 1 18 18 ARG H H 18 6.969 6.969 7.545 -0.576 17598 7396 1 16 . 1 1 19 19 VAL N N 19 127.750 127.750 119.838 7.912 17598 7397 1 16 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.931 -0.138 17598 7398 1 16 . 1 1 19 19 VAL CA C 19 62.530 62.530 63.622 -1.092 17598 7399 1 16 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.330 -1.309 17598 7400 1 16 . 1 1 19 19 VAL H H 19 8.494 8.494 8.209 0.285 17598 7401 1 16 . 1 1 20 20 LYS N N 20 129.005 129.005 129.163 -0.158 17598 7402 1 16 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.488 -0.406 17598 7403 1 16 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.364 1.433 17598 7404 1 16 . 1 1 20 20 LYS CB C 20 33.025 33.025 30.966 2.059 17598 7405 1 16 . 1 1 20 20 LYS H H 20 8.406 8.406 8.396 0.010 17598 7406 1 16 . 1 1 21 21 GLN N N 21 122.125 122.125 121.208 0.917 17598 7407 1 16 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.238 0.193 17598 7408 1 16 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.244 0.453 17598 7409 1 16 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.429 -0.222 17598 7410 1 16 . 1 1 21 21 GLN H H 21 9.783 9.783 8.238 1.545 17598 7411 1 16 . 1 1 22 22 PHE N N 22 126.785 126.785 118.082 8.703 17598 7412 1 16 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.432 -0.140 17598 7413 1 16 . 1 1 22 22 PHE CA C 22 61.906 61.906 59.581 2.325 17598 7414 1 16 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.632 -0.527 17598 7415 1 16 . 1 1 22 22 PHE H H 22 9.214 9.214 8.596 0.618 17598 7416 1 16 . 1 1 23 23 LEU N N 23 115.846 115.846 117.320 -1.474 17598 7417 1 16 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.505 -0.385 17598 7418 1 16 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.821 -0.463 17598 7419 1 16 . 1 1 23 23 LEU CB C 23 40.097 40.097 41.773 -1.676 17598 7420 1 16 . 1 1 23 23 LEU H H 23 9.173 9.173 8.149 1.024 17598 7421 1 16 . 1 1 24 24 GLU N N 24 117.032 117.032 119.079 -2.047 17598 7422 1 16 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.317 0.494 17598 7423 1 16 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.427 -1.772 17598 7424 1 16 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.696 0.602 17598 7425 1 16 . 1 1 24 24 GLU H H 24 7.789 7.789 8.581 -0.792 17598 7426 1 16 . 1 1 25 25 GLY N N 25 105.050 105.050 105.556 -0.506 17598 7427 1 16 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.956 -0.549 17598 7428 1 16 . 1 1 25 25 GLY H H 25 7.640 7.640 8.126 -0.486 17598 7429 1 16 . 1 1 26 26 PHE N N 26 115.467 115.467 118.459 -2.992 17598 7430 1 16 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.719 -0.215 17598 7431 1 16 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.449 -0.922 17598 7432 1 16 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.198 2.919 17598 7433 1 16 . 1 1 26 26 PHE H H 26 6.508 6.508 7.540 -1.032 17598 7434 1 16 . 1 1 27 27 ASN N N 27 118.006 118.006 116.578 1.428 17598 7435 1 16 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.670 -0.182 17598 7436 1 16 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.104 -0.075 17598 7437 1 16 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.337 -1.619 17598 7438 1 16 . 1 1 27 27 ASN H H 27 8.788 8.788 8.408 0.380 17598 7439 1 16 . 1 1 28 28 ILE N N 28 129.126 129.126 121.392 7.734 17598 7440 1 16 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.763 -0.075 17598 7441 1 16 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.122 1.785 17598 7442 1 16 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.394 0.649 17598 7443 1 16 . 1 1 28 28 ILE H H 28 9.557 9.557 8.573 0.984 17598 7444 1 16 . 1 1 29 29 GLU N N 29 120.068 120.068 118.719 1.349 17598 7445 1 16 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.136 0.093 17598 7446 1 16 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.534 -0.187 17598 7447 1 16 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.553 -0.424 17598 7448 1 16 . 1 1 29 29 GLU H H 29 9.064 9.064 8.518 0.546 17598 7449 1 16 . 1 1 30 30 THR N N 30 109.404 109.404 109.232 0.172 17598 7450 1 16 . 1 1 30 30 THR HA H 30 4.303 4.303 4.073 0.230 17598 7451 1 16 . 1 1 30 30 THR CA C 30 62.079 62.079 62.979 -0.900 17598 7452 1 16 . 1 1 30 30 THR CB C 30 69.583 69.583 68.667 0.916 17598 7453 1 16 . 1 1 30 30 THR H H 30 7.789 7.789 7.626 0.163 17598 7454 1 16 . 1 1 31 31 PHE N N 31 120.250 120.250 120.369 -0.119 17598 7455 1 16 . 1 1 31 31 PHE HA H 31 5.426 5.426 5.055 0.371 17598 7456 1 16 . 1 1 31 31 PHE CA C 31 55.456 55.456 54.863 0.593 17598 7457 1 16 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.286 -0.293 17598 7458 1 16 . 1 1 31 31 PHE H H 31 7.236 7.236 7.001 0.235 17598 7459 1 16 . 1 1 32 32 GLU N N 32 118.531 118.531 120.695 -2.164 17598 7460 1 16 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.687 0.100 17598 7461 1 16 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.587 -0.658 17598 7462 1 16 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.297 1.397 17598 7463 1 16 . 1 1 32 32 GLU H H 32 8.644 8.644 9.443 -0.799 17598 7464 1 16 . 1 1 33 33 MET N N 33 127.438 127.438 125.881 1.557 17598 7465 1 16 . 1 1 33 33 MET HA H 33 4.643 4.643 4.190 0.453 17598 7466 1 16 . 1 1 33 33 MET CA C 33 56.411 56.411 56.985 -0.574 17598 7467 1 16 . 1 1 33 33 MET CB C 33 32.050 32.050 33.212 -1.162 17598 7468 1 16 . 1 1 33 33 MET H H 33 9.679 9.679 9.082 0.597 17598 7469 1 16 . 1 1 34 34 VAL N N 34 119.176 119.176 120.155 -0.979 17598 7470 1 16 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.728 0.046 17598 7471 1 16 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.001 -0.005 17598 7472 1 16 . 1 1 34 34 VAL CB C 34 32.849 32.849 34.133 -1.284 17598 7473 1 16 . 1 1 34 34 VAL H H 34 8.897 8.897 8.883 0.014 17598 7474 1 16 . 1 1 35 35 GLY N N 35 108.249 108.249 108.560 -0.311 17598 7475 1 16 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.336 -0.152 17598 7476 1 16 . 1 1 35 35 GLY H H 35 7.589 7.589 7.979 -0.390 17598 7477 1 16 . 1 1 36 36 THR N N 36 110.562 110.562 113.163 -2.601 17598 7478 1 16 . 1 1 36 36 THR HA H 36 5.088 5.088 4.584 0.504 17598 7479 1 16 . 1 1 36 36 THR CA C 36 60.060 60.060 60.578 -0.518 17598 7480 1 16 . 1 1 36 36 THR CB C 36 72.335 72.335 71.926 0.409 17598 7481 1 16 . 1 1 36 36 THR H H 36 8.300 8.300 8.031 0.269 17598 7482 1 16 . 1 1 37 37 LEU N N 37 122.334 122.334 124.288 -1.954 17598 7483 1 16 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.917 -0.212 17598 7484 1 16 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.804 0.717 17598 7485 1 16 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.627 0.688 17598 7486 1 16 . 1 1 37 37 LEU H H 37 8.886 8.886 9.001 -0.115 17598 7487 1 16 . 1 1 38 38 SER N N 38 119.156 119.156 119.299 -0.143 17598 7488 1 16 . 1 1 38 38 SER HA H 38 5.489 5.489 5.579 -0.090 17598 7489 1 16 . 1 1 38 38 SER CA C 38 56.819 56.819 57.575 -0.756 17598 7490 1 16 . 1 1 38 38 SER CB C 38 64.655 64.655 64.636 0.019 17598 7491 1 16 . 1 1 38 38 SER H H 38 8.694 8.694 8.512 0.182 17598 7492 1 16 . 1 1 39 39 ASN N N 39 124.156 124.156 123.928 0.228 17598 7493 1 16 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.384 -1.580 17598 7494 1 16 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.235 -0.372 17598 7495 1 16 . 1 1 39 39 ASN H H 39 9.068 9.068 8.839 0.229 17598 7496 1 16 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.118 0.049 17598 7497 1 16 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.599 0.127 17598 7498 1 16 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.323 -0.112 17598 7499 1 16 . 1 1 41 41 GLN N N 41 114.937 114.937 117.066 -2.129 17598 7500 1 16 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.212 0.138 17598 7501 1 16 . 1 1 41 41 GLN CA C 41 56.695 56.695 57.276 -0.581 17598 7502 1 16 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.784 -0.796 17598 7503 1 16 . 1 1 41 41 GLN H H 41 8.399 8.399 8.247 0.152 17598 7504 1 16 . 1 1 42 42 GLY N N 42 108.502 108.502 105.584 2.918 17598 7505 1 16 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.388 0.183 17598 7506 1 16 . 1 1 42 42 GLY H H 42 7.892 7.892 8.115 -0.223 17598 7507 1 16 . 1 1 43 43 THR N N 43 116.344 116.344 117.799 -1.455 17598 7508 1 16 . 1 1 43 43 THR HA H 43 3.749 3.749 5.033 -1.284 17598 7509 1 16 . 1 1 43 43 THR CA C 43 69.834 69.834 61.501 8.334 17598 7510 1 16 . 1 1 43 43 THR CB C 43 70.316 70.316 70.314 0.003 17598 7511 1 16 . 1 1 43 43 THR H H 43 7.762 7.762 7.849 -0.087 17598 7512 1 16 . 1 1 44 44 PHE N N 44 123.688 123.688 123.211 0.477 17598 7513 1 16 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.710 0.396 17598 7514 1 16 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.540 -0.993 17598 7515 1 16 . 1 1 44 44 PHE CB C 44 41.905 41.905 43.172 -1.267 17598 7516 1 16 . 1 1 44 44 PHE H H 44 9.283 9.283 9.301 -0.018 17598 7517 1 16 . 1 1 45 45 ALA N N 45 122.438 122.438 122.562 -0.124 17598 7518 1 16 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.856 0.095 17598 7519 1 16 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.447 -0.337 17598 7520 1 16 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.887 -0.250 17598 7521 1 16 . 1 1 45 45 ALA H H 45 9.579 9.579 9.157 0.422 17598 7522 1 16 . 1 1 46 46 LEU N N 46 121.500 121.500 121.921 -0.421 17598 7523 1 16 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.035 0.108 17598 7524 1 16 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.928 -0.946 17598 7525 1 16 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.508 -1.090 17598 7526 1 16 . 1 1 46 46 LEU H H 46 8.472 8.472 8.872 -0.400 17598 7527 1 16 . 1 1 47 47 VAL N N 47 122.125 122.125 124.030 -1.905 17598 7528 1 16 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.433 0.482 17598 7529 1 16 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.535 -0.112 17598 7530 1 16 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.489 -1.661 17598 7531 1 16 . 1 1 47 47 VAL H H 47 9.175 9.175 8.936 0.239 17598 7532 1 16 . 1 1 48 48 LYS N N 48 129.000 129.000 124.119 4.881 17598 7533 1 16 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.080 0.118 17598 7534 1 16 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.796 0.930 17598 7535 1 16 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.598 -0.565 17598 7536 1 16 . 1 1 48 48 LYS H H 48 9.675 9.675 8.583 1.092 17598 7537 1 16 . 1 1 49 49 GLY N N 49 113.844 113.844 111.733 2.111 17598 7538 1 16 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.712 -0.837 17598 7539 1 16 . 1 1 49 49 GLY H H 49 8.792 8.792 8.528 0.264 17598 7540 1 16 . 1 1 50 50 ALA N N 50 123.844 123.844 123.762 0.082 17598 7541 1 16 . 1 1 50 50 ALA HA H 50 3.452 3.452 4.029 -0.577 17598 7542 1 16 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.706 -0.724 17598 7543 1 16 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.527 -0.577 17598 7544 1 16 . 1 1 50 50 ALA H H 50 8.963 8.963 8.709 0.254 17598 7545 1 16 . 1 1 51 51 GLY N N 51 105.406 105.406 112.666 -7.260 17598 7546 1 16 . 1 1 51 51 GLY CA C 51 45.544 45.544 44.778 0.766 17598 7547 1 16 . 1 1 51 51 GLY H H 51 8.582 8.582 8.660 -0.078 17598 7548 1 16 . 1 1 52 52 GLY N N 52 108.644 108.644 109.579 -0.935 17598 7549 1 16 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.123 0.026 17598 7550 1 16 . 1 1 52 52 GLY H H 52 7.692 7.692 8.419 -0.727 17598 7551 1 16 . 1 1 53 53 VAL N N 53 121.656 121.656 120.332 1.324 17598 7552 1 16 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.762 -0.175 17598 7553 1 16 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.325 2.420 17598 7554 1 16 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.402 -1.435 17598 7555 1 16 . 1 1 53 53 VAL H H 53 7.928 7.928 7.984 -0.056 17598 7556 1 16 . 1 1 54 54 HIS N N 54 128.219 128.219 123.198 5.021 17598 7557 1 16 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.018 -0.395 17598 7558 1 16 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.107 0.759 17598 7559 1 16 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.354 1.949 17598 7560 1 16 . 1 1 54 54 HIS H H 54 9.188 9.188 8.784 0.404 17598 7561 1 16 . 1 1 55 55 ARG N N 55 122.125 122.125 124.989 -2.864 17598 7562 1 16 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.332 -0.305 17598 7563 1 16 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.110 0.174 17598 7564 1 16 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.245 -0.488 17598 7565 1 16 . 1 1 55 55 ARG H H 55 8.816 8.816 8.663 0.153 17598 7566 1 16 . 1 1 56 56 VAL N N 56 124.229 124.229 117.819 6.410 17598 7567 1 16 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.943 -0.235 17598 7568 1 16 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.340 0.342 17598 7569 1 16 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.016 -0.549 17598 7570 1 16 . 1 1 56 56 VAL H H 56 9.444 9.444 8.858 0.586 17598 7571 1 16 . 1 1 57 57 ARG N N 57 124.554 124.554 122.267 2.287 17598 7572 1 16 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.922 -0.099 17598 7573 1 16 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.944 -0.620 17598 7574 1 16 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.137 1.848 17598 7575 1 16 . 1 1 57 57 ARG H H 57 9.124 9.124 8.552 0.572 17598 7576 1 16 . 1 1 58 58 VAL N N 58 120.250 120.250 120.357 -0.107 17598 7577 1 16 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.508 -0.153 17598 7578 1 16 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.979 0.467 17598 7579 1 16 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.842 0.090 17598 7580 1 16 . 1 1 58 58 VAL H H 58 8.327 8.327 8.510 -0.183 17598 7581 1 16 . 1 1 59 59 GLY N N 59 117.437 117.437 115.340 2.097 17598 7582 1 16 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.510 0.065 17598 7583 1 16 . 1 1 59 59 GLY H H 59 9.097 9.097 8.632 0.465 17598 7584 1 16 . 1 1 60 60 ASP N N 60 121.031 121.031 121.398 -0.367 17598 7585 1 16 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.693 0.258 17598 7586 1 16 . 1 1 60 60 ASP CA C 60 54.342 54.342 54.720 -0.378 17598 7587 1 16 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.834 -0.076 17598 7588 1 16 . 1 1 60 60 ASP H H 60 7.800 7.800 8.148 -0.348 17598 7589 1 16 . 1 1 61 61 TYR N N 61 115.406 115.406 116.292 -0.886 17598 7590 1 16 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.439 0.151 17598 7591 1 16 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.855 -0.063 17598 7592 1 16 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.016 0.554 17598 7593 1 16 . 1 1 61 61 TYR H H 61 7.834 7.834 8.352 -0.518 17598 7594 1 16 . 1 1 62 62 LEU N N 62 117.750 117.750 118.358 -0.608 17598 7595 1 16 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.867 -0.566 17598 7596 1 16 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.088 -0.091 17598 7597 1 16 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.061 1.709 17598 7598 1 16 . 1 1 62 62 LEU H H 62 9.362 9.362 8.780 0.582 17598 7599 1 16 . 1 1 63 63 GLY N N 63 107.303 107.303 106.806 0.497 17598 7600 1 16 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.334 -1.046 17598 7601 1 16 . 1 1 63 63 GLY H H 63 7.945 7.945 8.230 -0.285 17598 7602 1 16 . 1 1 64 64 ARG N N 64 113.687 113.687 120.442 -6.755 17598 7603 1 16 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.246 0.195 17598 7604 1 16 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.889 -0.620 17598 7605 1 16 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.613 0.133 17598 7606 1 16 . 1 1 64 64 ARG H H 64 8.424 8.424 8.309 0.115 17598 7607 1 16 . 1 1 65 65 ASN N N 65 121.626 121.626 115.350 6.276 17598 7608 1 16 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.805 0.694 17598 7609 1 16 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.720 0.636 17598 7610 1 16 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.411 1.105 17598 7611 1 16 . 1 1 65 65 ASN H H 65 9.529 9.529 8.090 1.439 17598 7612 1 16 . 1 1 66 66 ASP N N 66 116.656 116.656 117.652 -0.996 17598 7613 1 16 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.334 -0.435 17598 7614 1 16 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.378 -0.590 17598 7615 1 16 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.860 0.560 17598 7616 1 16 . 1 1 66 66 ASP H H 66 9.397 9.397 7.828 1.569 17598 7617 1 16 . 1 1 67 67 GLY N N 67 100.587 100.587 105.653 -5.066 17598 7618 1 16 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.291 2.720 17598 7619 1 16 . 1 1 67 67 GLY H H 67 7.424 7.424 8.261 -0.837 17598 7620 1 16 . 1 1 68 68 LYS N N 68 130.952 130.952 128.299 2.653 17598 7621 1 16 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.843 -0.995 17598 7622 1 16 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.900 0.079 17598 7623 1 16 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.598 -0.141 17598 7624 1 16 . 1 1 68 68 LYS H H 68 8.121 8.121 8.618 -0.497 17598 7625 1 16 . 1 1 69 69 VAL N N 69 126.813 126.813 127.190 -0.377 17598 7626 1 16 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.846 0.266 17598 7627 1 16 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.587 -1.304 17598 7628 1 16 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.186 -0.452 17598 7629 1 16 . 1 1 69 69 VAL H H 69 9.113 9.113 8.456 0.657 17598 7630 1 16 . 1 1 70 70 VAL N N 70 122.594 122.594 124.192 -1.598 17598 7631 1 16 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.570 0.035 17598 7632 1 16 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.791 -0.894 17598 7633 1 16 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.566 -0.923 17598 7634 1 16 . 1 1 70 70 VAL H H 70 8.968 8.968 8.758 0.210 17598 7635 1 16 . 1 1 71 71 GLY N N 71 110.562 110.562 108.401 2.161 17598 7636 1 16 . 1 1 71 71 GLY CA C 71 46.199 46.199 45.100 1.099 17598 7637 1 16 . 1 1 71 71 GLY H H 71 7.638 7.638 7.912 -0.274 17598 7638 1 16 . 1 1 72 72 ILE N N 72 123.063 123.063 122.009 1.054 17598 7639 1 16 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.395 0.064 17598 7640 1 16 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.307 1.067 17598 7641 1 16 . 1 1 72 72 ILE CB C 72 42.381 42.381 41.535 0.846 17598 7642 1 16 . 1 1 72 72 ILE H H 72 8.404 8.404 8.483 -0.079 17598 7643 1 16 . 1 1 73 73 SER N N 73 123.531 123.531 121.377 2.154 17598 7644 1 16 . 1 1 73 73 SER HA H 73 4.723 4.723 4.845 -0.122 17598 7645 1 16 . 1 1 73 73 SER CA C 73 56.220 56.220 56.506 -0.286 17598 7646 1 16 . 1 1 73 73 SER CB C 73 65.450 65.450 64.933 0.516 17598 7647 1 16 . 1 1 73 73 SER H H 73 8.801 8.801 8.622 0.179 17598 7648 1 16 . 1 1 74 74 GLU N N 74 116.656 116.656 118.127 -1.471 17598 7649 1 16 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.313 -0.009 17598 7650 1 16 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.932 -1.202 17598 7651 1 16 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.451 -1.349 17598 7652 1 16 . 1 1 74 74 GLU H H 74 8.537 8.537 8.601 -0.064 17598 7653 1 16 . 1 1 75 75 GLY N N 75 102.989 102.989 105.489 -2.500 17598 7654 1 16 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.034 -0.016 17598 7655 1 16 . 1 1 75 75 GLY H H 75 8.124 8.124 8.008 0.116 17598 7656 1 16 . 1 1 76 76 LYS N N 76 120.094 120.094 118.310 1.784 17598 7657 1 16 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.106 0.155 17598 7658 1 16 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.410 1.191 17598 7659 1 16 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.752 -0.341 17598 7660 1 16 . 1 1 76 76 LYS H H 76 7.546 7.546 7.605 -0.059 17598 7661 1 16 . 1 1 77 77 ILE N N 77 121.344 121.344 121.769 -0.425 17598 7662 1 16 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.635 -0.085 17598 7663 1 16 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.603 1.244 17598 7664 1 16 . 1 1 77 77 ILE CB C 77 41.616 41.616 39.602 2.014 17598 7665 1 16 . 1 1 77 77 ILE H H 77 8.776 8.776 8.779 -0.003 17598 7666 1 16 . 1 1 78 78 ASP N N 78 126.813 126.813 130.224 -3.411 17598 7667 1 16 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.216 -0.015 17598 7668 1 16 . 1 1 78 78 ASP CA C 78 54.120 54.120 55.086 -0.966 17598 7669 1 16 . 1 1 78 78 ASP CB C 78 42.952 42.952 42.020 0.932 17598 7670 1 16 . 1 1 78 78 ASP H H 78 8.964 8.964 8.533 0.431 17598 7671 1 16 . 1 1 79 79 VAL N N 79 124.156 124.156 119.130 5.026 17598 7672 1 16 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.007 0.172 17598 7673 1 16 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.232 0.042 17598 7674 1 16 . 1 1 79 79 VAL CB C 79 36.079 36.079 35.903 0.176 17598 7675 1 16 . 1 1 79 79 VAL H H 79 9.060 9.060 9.264 -0.204 17598 7676 1 16 . 1 1 80 80 ILE N N 80 126.656 126.656 123.464 3.192 17598 7677 1 16 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.311 0.184 17598 7678 1 16 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.829 1.354 17598 7679 1 16 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.170 2.117 17598 7680 1 16 . 1 1 80 80 ILE H H 80 8.812 8.812 8.947 -0.135 17598 7681 1 16 . 1 1 81 81 GLU N N 81 126.656 126.656 128.002 -1.346 17598 7682 1 16 . 1 1 81 81 GLU HA H 81 4.622 4.622 5.008 -0.386 17598 7683 1 16 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.723 0.351 17598 7684 1 16 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.185 -0.542 17598 7685 1 16 . 1 1 81 81 GLU H H 81 8.283 8.283 8.561 -0.278 17598 7686 1 16 . 1 1 82 82 ILE N N 82 120.094 120.094 124.292 -4.198 17598 7687 1 16 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.760 0.273 17598 7688 1 16 . 1 1 82 82 ILE CA C 82 60.228 60.228 60.972 -0.744 17598 7689 1 16 . 1 1 82 82 ILE CB C 82 39.038 39.038 39.036 0.002 17598 7690 1 16 . 1 1 82 82 ILE H H 82 8.252 8.252 8.620 -0.368 17598 7691 1 16 . 1 1 83 83 VAL N N 83 120.094 120.094 122.102 -2.008 17598 7692 1 16 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.089 0.133 17598 7693 1 16 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.655 -0.432 17598 7694 1 16 . 1 1 83 83 VAL CB C 83 33.593 33.593 33.723 -0.130 17598 7695 1 16 . 1 1 83 83 VAL H H 83 9.201 9.201 8.972 0.229 17598 7696 1 16 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.869 0.506 17598 7697 1 16 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.509 -0.467 17598 7698 1 16 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.259 -0.402 17598 7699 1 16 . 1 1 85 85 ASP N N 85 120.250 120.250 121.339 -1.089 17598 7700 1 16 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.544 -0.039 17598 7701 1 16 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.564 -2.067 17598 7702 1 16 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.013 -0.779 17598 7703 1 16 . 1 1 85 85 ASP H H 85 8.083 8.083 8.368 -0.285 17598 7704 1 16 . 1 1 86 86 GLY N N 86 109.156 109.156 106.772 2.384 17598 7705 1 16 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.416 -0.365 17598 7706 1 16 . 1 1 86 86 GLY H H 86 8.160 8.160 8.268 -0.108 17598 7707 1 16 . 1 1 87 87 GLU N N 87 120.719 120.719 121.532 -0.813 17598 7708 1 16 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.332 0.109 17598 7709 1 16 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.492 -1.512 17598 7710 1 16 . 1 1 87 87 GLU CB C 87 30.162 30.162 31.081 -0.919 17598 7711 1 16 . 1 1 87 87 GLU H H 87 8.663 8.663 8.374 0.289 17598 7712 1 16 . 1 1 88 88 GLY N N 88 109.312 109.312 105.802 3.510 17598 7713 1 16 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.753 0.012 17598 7714 1 16 . 1 1 88 88 GLY H H 88 8.417 8.417 8.164 0.253 17598 7715 1 16 . 1 1 89 89 ASN N N 89 119.625 119.625 117.671 1.954 17598 7716 1 16 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.776 0.221 17598 7717 1 16 . 1 1 89 89 ASN CA C 89 50.970 50.970 51.969 -0.999 17598 7718 1 16 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.222 0.866 17598 7719 1 16 . 1 1 89 89 ASN H H 89 8.331 8.331 7.843 0.488 17598 7720 1 16 . 1 1 90 90 TRP N N 90 121.188 121.188 121.439 -0.251 17598 7721 1 16 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.194 -0.033 17598 7722 1 16 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.686 0.084 17598 7723 1 16 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.400 0.861 17598 7724 1 16 . 1 1 90 90 TRP H H 90 8.538 8.538 8.423 0.115 17598 7725 1 16 . 1 1 91 91 LEU N N 91 121.031 121.031 120.140 0.891 17598 7726 1 16 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.873 -0.058 17598 7727 1 16 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.107 0.249 17598 7728 1 16 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.568 -1.325 17598 7729 1 16 . 1 1 91 91 LEU H H 91 9.518 9.518 9.157 0.361 17598 7730 1 16 . 1 1 92 92 GLU N N 92 119.156 119.156 121.125 -1.969 17598 7731 1 16 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.366 0.686 17598 7732 1 16 . 1 1 92 92 GLU CA C 92 55.360 55.360 57.322 -1.962 17598 7733 1 16 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.322 1.080 17598 7734 1 16 . 1 1 92 92 GLU H H 92 8.490 8.490 8.598 -0.108 17598 7735 1 16 . 1 1 93 93 ARG N N 93 124.938 124.938 122.641 2.297 17598 7736 1 16 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.762 0.302 17598 7737 1 16 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.775 -0.081 17598 7738 1 16 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.772 2.389 17598 7739 1 16 . 1 1 93 93 ARG H H 93 9.283 9.283 8.464 0.819 17598 7740 1 16 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.771 0.472 17598 7741 1 16 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.907 -0.654 17598 7742 1 16 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.426 1.148 17598 7743 1 16 . 1 1 95 95 ARG N N 95 120.416 120.416 125.772 -5.356 17598 7744 1 16 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.600 0.096 17598 7745 1 16 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.928 -0.305 17598 7746 1 16 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.786 -0.395 17598 7747 1 16 . 1 1 95 95 ARG H H 95 9.115 9.115 8.733 0.382 17598 7748 1 16 . 1 1 96 96 SER N N 96 115.719 115.719 117.507 -1.788 17598 7749 1 16 . 1 1 96 96 SER HA H 96 5.781 5.781 5.327 0.454 17598 7750 1 16 . 1 1 96 96 SER CA C 96 56.824 56.824 56.927 -0.103 17598 7751 1 16 . 1 1 96 96 SER CB C 96 65.906 65.906 64.534 1.372 17598 7752 1 16 . 1 1 96 96 SER H H 96 8.676 8.676 8.493 0.183 17598 7753 1 16 . 1 1 97 97 LEU N N 97 126.188 126.188 127.304 -1.116 17598 7754 1 16 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.660 0.213 17598 7755 1 16 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.855 1.179 17598 7756 1 16 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.081 1.850 17598 7757 1 16 . 1 1 97 97 LEU H H 97 9.030 9.030 9.035 -0.005 17598 7758 1 16 . 1 1 98 98 THR N N 98 113.687 113.687 114.603 -0.916 17598 7759 1 16 . 1 1 98 98 THR HA H 98 4.869 4.869 4.548 0.321 17598 7760 1 16 . 1 1 98 98 THR CA C 98 60.265 60.265 60.926 -0.661 17598 7761 1 16 . 1 1 98 98 THR CB C 98 70.650 70.650 70.025 0.625 17598 7762 1 16 . 1 1 98 98 THR H H 98 8.410 8.410 8.258 0.152 17598 7763 1 16 . 1 1 99 99 LEU N N 99 126.344 126.344 123.783 2.561 17598 7764 1 16 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.123 -0.038 17598 7765 1 16 . 1 1 99 99 LEU CA C 99 55.771 55.771 55.518 0.253 17598 7766 1 16 . 1 1 99 99 LEU CB C 99 43.053 43.053 41.261 1.792 17598 7767 1 16 . 1 1 99 99 LEU H H 99 7.806 7.806 8.107 -0.301 17598 7768 1 16 . 1 1 100 100 LYS N N 100 128.063 128.063 127.733 0.330 17598 7769 1 16 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.438 -0.043 17598 7770 1 16 . 1 1 100 100 LYS CA C 100 55.915 55.915 55.486 0.429 17598 7771 1 16 . 1 1 100 100 LYS CB C 100 33.060 33.060 34.364 -1.304 17598 7772 1 16 . 1 1 100 100 LYS H H 100 8.816 8.816 8.008 0.808 17598 7773 1 16 . 1 1 101 101 GLU N N 101 123.531 123.531 120.955 2.576 17598 7774 1 16 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.474 -0.485 17598 7775 1 16 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.503 0.467 17598 7776 1 16 . 1 1 101 101 GLU CB C 101 30.589 30.589 32.692 -2.103 17598 7777 1 16 . 1 1 101 101 GLU H H 101 8.323 8.323 8.497 -0.174 17598 7778 1 16 . 1 1 102 102 ARG N N 102 122.965 122.965 122.199 0.766 17598 7779 1 16 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.348 0.019 17598 7780 1 16 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.287 -0.513 17598 7781 1 16 . 1 1 102 102 ARG CB C 102 30.559 30.559 28.864 1.695 17598 7782 1 16 . 1 1 102 102 ARG H H 102 8.414 8.414 8.644 -0.230 17598 7783 1 16 . 1 1 103 103 SER N N 103 117.435 117.435 119.709 -2.274 17598 7784 1 16 . 1 1 103 103 SER HA H 103 4.431 4.431 4.638 -0.207 17598 7785 1 16 . 1 1 103 103 SER CA C 103 58.079 58.079 57.779 0.300 17598 7786 1 16 . 1 1 103 103 SER CB C 103 63.554 63.554 65.003 -1.449 17598 7787 1 16 . 1 1 103 103 SER H H 103 8.423 8.423 8.288 0.135 17598 7788 1 16 . 1 1 104 104 LEU N N 104 124.423 124.423 125.168 -0.745 17598 7789 1 16 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.665 -0.341 17598 7790 1 16 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.588 0.536 17598 7791 1 16 . 1 1 104 104 LEU CB C 104 41.989 41.989 41.180 0.809 17598 7792 1 16 . 1 1 104 104 LEU H H 104 8.369 8.369 8.643 -0.274 17598 7793 1 16 . 1 1 105 105 GLU N N 105 120.875 120.875 121.007 -0.132 17598 7794 1 16 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.213 -0.199 17598 7795 1 16 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.540 1.405 17598 7796 1 16 . 1 1 105 105 GLU CB C 105 29.846 29.846 28.446 1.400 17598 7797 1 16 . 1 1 105 105 GLU H H 105 8.249 8.249 8.635 -0.386 17598 7798 1 16 . 1 1 106 106 HIS N N 106 120.719 120.719 122.645 -1.926 17598 7799 1 16 . 1 1 106 106 HIS CA C 106 56.608 56.608 58.280 -1.672 17598 7800 1 16 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.382 2.066 17598 7801 1 16 . 1 1 106 106 HIS H H 106 8.274 8.274 8.109 0.165 17598 7802 1 16 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.527 0.059 17598 7803 1 16 . 1 1 107 107 HIS CA C 107 55.804 55.804 54.661 1.143 17598 7804 1 16 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.884 -0.460 17598 7805 1 16 . 1 1 108 108 HIS N N 108 125.843 125.843 119.455 6.388 17598 7806 1 16 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.153 1.952 17598 7807 1 16 . 1 1 108 108 HIS CB C 108 30.424 30.424 31.076 -0.652 17598 7808 1 16 . 1 1 108 108 HIS H H 108 7.941 7.941 8.569 -0.628 17598 7809 1 17 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.655 -0.280 17598 7810 1 17 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.997 0.353 17598 7811 1 17 . 1 1 2 2 LEU CB C 2 42.048 42.048 41.561 0.487 17598 7812 1 17 . 1 1 3 3 THR N N 3 114.937 114.937 116.802 -1.865 17598 7813 1 17 . 1 1 3 3 THR HA H 3 4.205 4.205 4.581 -0.376 17598 7814 1 17 . 1 1 3 3 THR CA C 3 62.493 62.493 61.093 1.400 17598 7815 1 17 . 1 1 3 3 THR CB C 3 69.391 69.391 70.113 -0.722 17598 7816 1 17 . 1 1 3 3 THR H H 3 8.316 8.316 8.165 0.151 17598 7817 1 17 . 1 1 4 4 VAL N N 4 122.438 122.438 118.492 3.946 17598 7818 1 17 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.439 -0.371 17598 7819 1 17 . 1 1 4 4 VAL CA C 4 62.493 62.493 60.791 1.702 17598 7820 1 17 . 1 1 4 4 VAL CB C 4 32.358 32.358 33.932 -1.574 17598 7821 1 17 . 1 1 4 4 VAL H H 4 7.953 7.953 8.200 -0.247 17598 7822 1 17 . 1 1 5 5 ARG N N 5 124.781 124.781 123.215 1.566 17598 7823 1 17 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.657 -0.307 17598 7824 1 17 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.806 0.036 17598 7825 1 17 . 1 1 5 5 ARG CB C 5 30.643 30.643 29.780 0.863 17598 7826 1 17 . 1 1 5 5 ARG H H 5 8.319 8.319 8.428 -0.109 17598 7827 1 17 . 1 1 6 6 GLN N N 6 121.656 121.656 122.214 -0.558 17598 7828 1 17 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.738 0.104 17598 7829 1 17 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.262 -1.073 17598 7830 1 17 . 1 1 6 6 GLN H H 6 8.373 8.373 8.302 0.071 17598 7831 1 17 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.634 -0.825 17598 7832 1 17 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.322 -1.490 17598 7833 1 17 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.559 -3.496 17598 7834 1 17 . 1 1 8 8 GLY CA C 8 44.729 44.729 46.219 -1.490 17598 7835 1 17 . 1 1 8 8 GLY H H 8 8.407 8.407 8.368 0.039 17598 7836 1 17 . 1 1 9 9 ASN N N 9 118.812 118.812 119.565 -0.753 17598 7837 1 17 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.849 -0.133 17598 7838 1 17 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.583 -0.700 17598 7839 1 17 . 1 1 9 9 ASN CB C 9 38.892 38.892 40.881 -1.989 17598 7840 1 17 . 1 1 9 9 ASN H H 9 8.337 8.337 8.055 0.282 17598 7841 1 17 . 1 1 10 10 LYS N N 10 122.131 122.131 122.966 -0.835 17598 7842 1 17 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.583 -0.251 17598 7843 1 17 . 1 1 10 10 LYS CA C 10 55.970 55.970 57.093 -1.123 17598 7844 1 17 . 1 1 10 10 LYS CB C 10 32.574 32.574 33.200 -0.626 17598 7845 1 17 . 1 1 10 10 LYS H H 10 8.253 8.253 8.553 -0.300 17598 7846 1 17 . 1 1 11 11 VAL N N 11 123.026 123.026 121.087 1.939 17598 7847 1 17 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.526 -0.390 17598 7848 1 17 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.343 1.662 17598 7849 1 17 . 1 1 11 11 VAL CB C 11 32.822 32.822 33.369 -0.547 17598 7850 1 17 . 1 1 11 11 VAL H H 11 8.428 8.428 8.280 0.148 17598 7851 1 17 . 1 1 12 12 ILE N N 12 127.174 127.174 121.014 6.160 17598 7852 1 17 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.031 0.073 17598 7853 1 17 . 1 1 12 12 ILE CA C 12 60.002 60.002 62.004 -2.002 17598 7854 1 17 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.136 -0.403 17598 7855 1 17 . 1 1 12 12 ILE H H 12 8.345 8.345 8.001 0.344 17598 7856 1 17 . 1 1 13 13 LYS N N 13 122.906 122.906 126.825 -3.919 17598 7857 1 17 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.466 -0.649 17598 7858 1 17 . 1 1 13 13 LYS CA C 13 53.957 53.957 55.192 -1.235 17598 7859 1 17 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.356 0.161 17598 7860 1 17 . 1 1 13 13 LYS H H 13 7.662 7.662 8.260 -0.598 17598 7861 1 17 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.290 -0.365 17598 7862 1 17 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.441 0.096 17598 7863 1 17 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.898 -0.305 17598 7864 1 17 . 1 1 15 15 ASP N N 15 121.969 121.969 119.980 1.989 17598 7865 1 17 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.774 -0.251 17598 7866 1 17 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.826 -0.852 17598 7867 1 17 . 1 1 15 15 ASP CB C 15 40.470 40.470 41.357 -0.887 17598 7868 1 17 . 1 1 15 15 ASP H H 15 8.607 8.607 8.455 0.152 17598 7869 1 17 . 1 1 16 16 GLU N N 16 126.813 126.813 122.382 4.431 17598 7870 1 17 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.454 -0.262 17598 7871 1 17 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.572 1.079 17598 7872 1 17 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.474 -0.267 17598 7873 1 17 . 1 1 16 16 GLU H H 16 9.032 9.032 8.821 0.211 17598 7874 1 17 . 1 1 17 17 THR N N 17 110.875 110.875 112.593 -1.718 17598 7875 1 17 . 1 1 17 17 THR HA H 17 4.313 4.313 4.411 -0.098 17598 7876 1 17 . 1 1 17 17 THR CA C 17 61.660 61.660 62.226 -0.566 17598 7877 1 17 . 1 1 17 17 THR CB C 17 69.392 69.392 69.599 -0.207 17598 7878 1 17 . 1 1 17 17 THR H H 17 8.453 8.453 7.808 0.645 17598 7879 1 17 . 1 1 18 18 ARG N N 18 124.313 124.313 121.933 2.380 17598 7880 1 17 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.688 -0.581 17598 7881 1 17 . 1 1 18 18 ARG CA C 18 55.933 55.933 55.322 0.611 17598 7882 1 17 . 1 1 18 18 ARG CB C 18 31.021 31.021 33.009 -1.988 17598 7883 1 17 . 1 1 18 18 ARG H H 18 6.969 6.969 7.973 -1.004 17598 7884 1 17 . 1 1 19 19 VAL N N 19 127.750 127.750 121.147 6.603 17598 7885 1 17 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.294 -0.501 17598 7886 1 17 . 1 1 19 19 VAL CA C 19 62.530 62.530 61.223 1.307 17598 7887 1 17 . 1 1 19 19 VAL CB C 19 31.021 31.021 34.198 -3.177 17598 7888 1 17 . 1 1 19 19 VAL H H 19 8.494 8.494 8.450 0.044 17598 7889 1 17 . 1 1 20 20 LYS N N 20 129.005 129.005 126.826 2.179 17598 7890 1 17 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.485 -0.403 17598 7891 1 17 . 1 1 20 20 LYS CA C 20 56.797 56.797 56.199 0.598 17598 7892 1 17 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.611 0.415 17598 7893 1 17 . 1 1 20 20 LYS H H 20 8.406 8.406 8.496 -0.090 17598 7894 1 17 . 1 1 21 21 GLN N N 21 122.125 122.125 118.216 3.909 17598 7895 1 17 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.601 -0.170 17598 7896 1 17 . 1 1 21 21 GLN CA C 21 56.697 56.697 55.328 1.369 17598 7897 1 17 . 1 1 21 21 GLN CB C 21 29.207 29.207 31.169 -1.962 17598 7898 1 17 . 1 1 21 21 GLN H H 21 9.783 9.783 7.487 2.296 17598 7899 1 17 . 1 1 22 22 PHE N N 22 126.785 126.785 118.896 7.889 17598 7900 1 17 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.723 -0.431 17598 7901 1 17 . 1 1 22 22 PHE CA C 22 61.906 61.906 58.744 3.162 17598 7902 1 17 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.894 -0.789 17598 7903 1 17 . 1 1 22 22 PHE H H 22 9.214 9.214 8.530 0.684 17598 7904 1 17 . 1 1 23 23 LEU N N 23 115.846 115.846 119.911 -4.065 17598 7905 1 17 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.581 -0.461 17598 7906 1 17 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.376 -0.018 17598 7907 1 17 . 1 1 23 23 LEU CB C 23 40.097 40.097 41.815 -1.718 17598 7908 1 17 . 1 1 23 23 LEU H H 23 9.173 9.173 7.704 1.469 17598 7909 1 17 . 1 1 24 24 GLU N N 24 117.032 117.032 120.159 -3.127 17598 7910 1 17 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.301 0.510 17598 7911 1 17 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.298 -1.643 17598 7912 1 17 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.043 0.255 17598 7913 1 17 . 1 1 24 24 GLU H H 24 7.789 7.789 8.932 -1.143 17598 7914 1 17 . 1 1 25 25 GLY N N 25 105.050 105.050 105.930 -0.880 17598 7915 1 17 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.797 -0.390 17598 7916 1 17 . 1 1 25 25 GLY H H 25 7.640 7.640 8.158 -0.518 17598 7917 1 17 . 1 1 26 26 PHE N N 26 115.467 115.467 118.896 -3.429 17598 7918 1 17 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.689 -0.185 17598 7919 1 17 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.232 -0.705 17598 7920 1 17 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.607 2.510 17598 7921 1 17 . 1 1 26 26 PHE H H 26 6.508 6.508 7.440 -0.932 17598 7922 1 17 . 1 1 27 27 ASN N N 27 118.006 118.006 116.479 1.527 17598 7923 1 17 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.709 -0.221 17598 7924 1 17 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.289 -0.260 17598 7925 1 17 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.660 -1.942 17598 7926 1 17 . 1 1 27 27 ASN H H 27 8.788 8.788 8.381 0.407 17598 7927 1 17 . 1 1 28 28 ILE N N 28 129.126 129.126 121.240 7.886 17598 7928 1 17 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.735 -0.047 17598 7929 1 17 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.996 1.911 17598 7930 1 17 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.613 0.430 17598 7931 1 17 . 1 1 28 28 ILE H H 28 9.557 9.557 8.503 1.054 17598 7932 1 17 . 1 1 29 29 GLU N N 29 120.068 120.068 117.794 2.274 17598 7933 1 17 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.081 0.148 17598 7934 1 17 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.642 -0.295 17598 7935 1 17 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.599 -0.470 17598 7936 1 17 . 1 1 29 29 GLU H H 29 9.064 9.064 8.603 0.461 17598 7937 1 17 . 1 1 30 30 THR N N 30 109.404 109.404 109.896 -0.492 17598 7938 1 17 . 1 1 30 30 THR HA H 30 4.303 4.303 4.046 0.257 17598 7939 1 17 . 1 1 30 30 THR CA C 30 62.079 62.079 63.354 -1.275 17598 7940 1 17 . 1 1 30 30 THR CB C 30 69.583 69.583 68.232 1.351 17598 7941 1 17 . 1 1 30 30 THR H H 30 7.789 7.789 7.600 0.189 17598 7942 1 17 . 1 1 31 31 PHE N N 31 120.250 120.250 120.521 -0.271 17598 7943 1 17 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.861 0.565 17598 7944 1 17 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.540 -0.084 17598 7945 1 17 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.209 -0.216 17598 7946 1 17 . 1 1 31 31 PHE H H 31 7.236 7.236 7.072 0.164 17598 7947 1 17 . 1 1 32 32 GLU N N 32 118.531 118.531 119.415 -0.884 17598 7948 1 17 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.646 0.141 17598 7949 1 17 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.599 -0.670 17598 7950 1 17 . 1 1 32 32 GLU CB C 32 33.693 33.693 32.717 0.977 17598 7951 1 17 . 1 1 32 32 GLU H H 32 8.644 8.644 9.048 -0.404 17598 7952 1 17 . 1 1 33 33 MET N N 33 127.438 127.438 127.133 0.305 17598 7953 1 17 . 1 1 33 33 MET HA H 33 4.643 4.643 4.263 0.380 17598 7954 1 17 . 1 1 33 33 MET CA C 33 56.411 56.411 57.084 -0.673 17598 7955 1 17 . 1 1 33 33 MET CB C 33 32.050 32.050 33.020 -0.970 17598 7956 1 17 . 1 1 33 33 MET H H 33 9.679 9.679 9.199 0.480 17598 7957 1 17 . 1 1 34 34 VAL N N 34 119.176 119.176 126.380 -7.204 17598 7958 1 17 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.419 0.355 17598 7959 1 17 . 1 1 34 34 VAL CA C 34 60.996 60.996 62.206 -1.210 17598 7960 1 17 . 1 1 34 34 VAL CB C 34 32.849 32.849 32.896 -0.047 17598 7961 1 17 . 1 1 34 34 VAL H H 34 8.897 8.897 8.452 0.445 17598 7962 1 17 . 1 1 35 35 GLY N N 35 108.249 108.249 107.132 1.117 17598 7963 1 17 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.286 -0.102 17598 7964 1 17 . 1 1 35 35 GLY H H 35 7.589 7.589 7.897 -0.308 17598 7965 1 17 . 1 1 36 36 THR N N 36 110.562 110.562 112.345 -1.783 17598 7966 1 17 . 1 1 36 36 THR HA H 36 5.088 5.088 4.547 0.541 17598 7967 1 17 . 1 1 36 36 THR CA C 36 60.060 60.060 60.883 -0.823 17598 7968 1 17 . 1 1 36 36 THR CB C 36 72.335 72.335 72.076 0.259 17598 7969 1 17 . 1 1 36 36 THR H H 36 8.300 8.300 8.232 0.068 17598 7970 1 17 . 1 1 37 37 LEU N N 37 122.334 122.334 124.340 -2.006 17598 7971 1 17 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.858 -0.153 17598 7972 1 17 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.359 1.162 17598 7973 1 17 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.246 1.069 17598 7974 1 17 . 1 1 37 37 LEU H H 37 8.886 8.886 8.711 0.175 17598 7975 1 17 . 1 1 38 38 SER N N 38 119.156 119.156 119.418 -0.262 17598 7976 1 17 . 1 1 38 38 SER HA H 38 5.489 5.489 5.484 0.005 17598 7977 1 17 . 1 1 38 38 SER CA C 38 56.819 56.819 57.248 -0.429 17598 7978 1 17 . 1 1 38 38 SER CB C 38 64.655 64.655 64.348 0.307 17598 7979 1 17 . 1 1 38 38 SER H H 38 8.694 8.694 8.541 0.153 17598 7980 1 17 . 1 1 39 39 ASN N N 39 124.156 124.156 123.960 0.196 17598 7981 1 17 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.588 -1.784 17598 7982 1 17 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.028 -0.165 17598 7983 1 17 . 1 1 39 39 ASN H H 39 9.068 9.068 8.742 0.326 17598 7984 1 17 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.104 0.062 17598 7985 1 17 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.618 0.108 17598 7986 1 17 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.341 -0.130 17598 7987 1 17 . 1 1 41 41 GLN N N 41 114.937 114.937 116.839 -1.902 17598 7988 1 17 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.193 0.157 17598 7989 1 17 . 1 1 41 41 GLN CA C 41 56.695 56.695 57.138 -0.443 17598 7990 1 17 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.861 -0.873 17598 7991 1 17 . 1 1 41 41 GLN H H 41 8.399 8.399 8.336 0.063 17598 7992 1 17 . 1 1 42 42 GLY N N 42 108.502 108.502 104.363 4.139 17598 7993 1 17 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.371 0.200 17598 7994 1 17 . 1 1 42 42 GLY H H 42 7.892 7.892 7.569 0.323 17598 7995 1 17 . 1 1 43 43 THR N N 43 116.344 116.344 117.400 -1.056 17598 7996 1 17 . 1 1 43 43 THR HA H 43 3.749 3.749 5.087 -1.338 17598 7997 1 17 . 1 1 43 43 THR CA C 43 69.834 69.834 61.565 8.269 17598 7998 1 17 . 1 1 43 43 THR CB C 43 70.316 70.316 69.368 0.948 17598 7999 1 17 . 1 1 43 43 THR H H 43 7.762 7.762 7.856 -0.094 17598 8000 1 17 . 1 1 44 44 PHE N N 44 123.688 123.688 125.584 -1.896 17598 8001 1 17 . 1 1 44 44 PHE HA H 44 5.106 5.106 5.031 0.075 17598 8002 1 17 . 1 1 44 44 PHE CA C 44 55.547 55.547 55.858 -0.311 17598 8003 1 17 . 1 1 44 44 PHE CB C 44 41.905 41.905 41.249 0.656 17598 8004 1 17 . 1 1 44 44 PHE H H 44 9.283 9.283 8.900 0.383 17598 8005 1 17 . 1 1 45 45 ALA N N 45 122.438 122.438 122.666 -0.228 17598 8006 1 17 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.826 0.125 17598 8007 1 17 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.641 -0.530 17598 8008 1 17 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.244 0.393 17598 8009 1 17 . 1 1 45 45 ALA H H 45 9.579 9.579 9.103 0.476 17598 8010 1 17 . 1 1 46 46 LEU N N 46 121.500 121.500 125.426 -3.926 17598 8011 1 17 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.143 -0.000 17598 8012 1 17 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.853 -0.871 17598 8013 1 17 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.778 -0.360 17598 8014 1 17 . 1 1 46 46 LEU H H 46 8.472 8.472 8.847 -0.375 17598 8015 1 17 . 1 1 47 47 VAL N N 47 122.125 122.125 123.110 -0.985 17598 8016 1 17 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.707 0.208 17598 8017 1 17 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.066 0.357 17598 8018 1 17 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.601 -0.773 17598 8019 1 17 . 1 1 47 47 VAL H H 47 9.175 9.175 8.969 0.206 17598 8020 1 17 . 1 1 48 48 LYS N N 48 129.000 129.000 124.258 4.742 17598 8021 1 17 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.910 0.288 17598 8022 1 17 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.085 0.641 17598 8023 1 17 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.723 -0.690 17598 8024 1 17 . 1 1 48 48 LYS H H 48 9.675 9.675 8.536 1.139 17598 8025 1 17 . 1 1 49 49 GLY N N 49 113.844 113.844 110.248 3.596 17598 8026 1 17 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.767 -0.891 17598 8027 1 17 . 1 1 49 49 GLY H H 49 8.792 8.792 8.471 0.321 17598 8028 1 17 . 1 1 50 50 ALA N N 50 123.844 123.844 120.708 3.136 17598 8029 1 17 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.420 0.032 17598 8030 1 17 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.115 -0.133 17598 8031 1 17 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.365 -0.415 17598 8032 1 17 . 1 1 50 50 ALA H H 50 8.963 8.963 8.508 0.455 17598 8033 1 17 . 1 1 51 51 GLY N N 51 105.406 105.406 103.328 2.078 17598 8034 1 17 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.268 0.276 17598 8035 1 17 . 1 1 51 51 GLY H H 51 8.582 8.582 8.250 0.332 17598 8036 1 17 . 1 1 52 52 GLY N N 52 108.644 108.644 106.634 2.010 17598 8037 1 17 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.988 0.161 17598 8038 1 17 . 1 1 52 52 GLY H H 52 7.692 7.692 7.826 -0.134 17598 8039 1 17 . 1 1 53 53 VAL N N 53 121.656 121.656 117.611 4.045 17598 8040 1 17 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.704 -0.117 17598 8041 1 17 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.843 1.902 17598 8042 1 17 . 1 1 53 53 VAL CB C 53 32.967 32.967 33.742 -0.775 17598 8043 1 17 . 1 1 53 53 VAL H H 53 7.928 7.928 8.231 -0.303 17598 8044 1 17 . 1 1 54 54 HIS N N 54 128.219 128.219 123.821 4.398 17598 8045 1 17 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.923 -0.300 17598 8046 1 17 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.093 0.773 17598 8047 1 17 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.462 1.841 17598 8048 1 17 . 1 1 54 54 HIS H H 54 9.188 9.188 8.801 0.387 17598 8049 1 17 . 1 1 55 55 ARG N N 55 122.125 122.125 125.383 -3.258 17598 8050 1 17 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.052 -0.025 17598 8051 1 17 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.479 -0.195 17598 8052 1 17 . 1 1 55 55 ARG CB C 55 30.757 30.757 31.014 -0.257 17598 8053 1 17 . 1 1 55 55 ARG H H 55 8.816 8.816 8.725 0.091 17598 8054 1 17 . 1 1 56 56 VAL N N 56 124.229 124.229 119.743 4.486 17598 8055 1 17 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.943 -0.235 17598 8056 1 17 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.352 0.329 17598 8057 1 17 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.791 -0.324 17598 8058 1 17 . 1 1 56 56 VAL H H 56 9.444 9.444 8.974 0.470 17598 8059 1 17 . 1 1 57 57 ARG N N 57 124.554 124.554 121.890 2.664 17598 8060 1 17 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.676 0.147 17598 8061 1 17 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.813 -0.489 17598 8062 1 17 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.127 1.859 17598 8063 1 17 . 1 1 57 57 ARG H H 57 9.124 9.124 8.111 1.013 17598 8064 1 17 . 1 1 58 58 VAL N N 58 120.250 120.250 121.192 -0.942 17598 8065 1 17 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.604 -0.249 17598 8066 1 17 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.339 1.107 17598 8067 1 17 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.939 -0.007 17598 8068 1 17 . 1 1 58 58 VAL H H 58 8.327 8.327 8.425 -0.098 17598 8069 1 17 . 1 1 59 59 GLY N N 59 117.437 117.437 116.885 0.552 17598 8070 1 17 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.688 -0.113 17598 8071 1 17 . 1 1 59 59 GLY H H 59 9.097 9.097 8.684 0.413 17598 8072 1 17 . 1 1 60 60 ASP N N 60 121.031 121.031 121.961 -0.930 17598 8073 1 17 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.580 0.371 17598 8074 1 17 . 1 1 60 60 ASP CA C 60 54.342 54.342 54.764 -0.422 17598 8075 1 17 . 1 1 60 60 ASP CB C 60 41.758 41.758 42.029 -0.271 17598 8076 1 17 . 1 1 60 60 ASP H H 60 7.800 7.800 7.921 -0.121 17598 8077 1 17 . 1 1 61 61 TYR N N 61 115.406 115.406 116.605 -1.199 17598 8078 1 17 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.585 0.005 17598 8079 1 17 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.707 0.085 17598 8080 1 17 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.743 0.827 17598 8081 1 17 . 1 1 61 61 TYR H H 61 7.834 7.834 8.467 -0.633 17598 8082 1 17 . 1 1 62 62 LEU N N 62 117.750 117.750 121.683 -3.933 17598 8083 1 17 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.740 -0.439 17598 8084 1 17 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.904 -0.907 17598 8085 1 17 . 1 1 62 62 LEU CB C 62 46.770 46.770 46.920 -0.150 17598 8086 1 17 . 1 1 62 62 LEU H H 62 9.362 9.362 8.340 1.022 17598 8087 1 17 . 1 1 63 63 GLY N N 63 107.303 107.303 109.559 -2.256 17598 8088 1 17 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.150 -0.862 17598 8089 1 17 . 1 1 63 63 GLY H H 63 7.945 7.945 8.587 -0.642 17598 8090 1 17 . 1 1 64 64 ARG N N 64 113.687 113.687 121.345 -7.658 17598 8091 1 17 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.234 0.207 17598 8092 1 17 . 1 1 64 64 ARG CA C 64 57.269 57.269 58.287 -1.018 17598 8093 1 17 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.414 0.332 17598 8094 1 17 . 1 1 64 64 ARG H H 64 8.424 8.424 8.588 -0.164 17598 8095 1 17 . 1 1 65 65 ASN N N 65 121.626 121.626 114.756 6.870 17598 8096 1 17 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.694 0.805 17598 8097 1 17 . 1 1 65 65 ASN CA C 65 53.356 53.356 53.177 0.179 17598 8098 1 17 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.308 1.208 17598 8099 1 17 . 1 1 65 65 ASN H H 65 9.529 9.529 8.111 1.418 17598 8100 1 17 . 1 1 66 66 ASP N N 66 116.656 116.656 118.546 -1.890 17598 8101 1 17 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.356 -0.457 17598 8102 1 17 . 1 1 66 66 ASP CA C 66 54.788 54.788 54.768 0.020 17598 8103 1 17 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.714 -0.294 17598 8104 1 17 . 1 1 66 66 ASP H H 66 9.397 9.397 7.791 1.606 17598 8105 1 17 . 1 1 67 67 GLY N N 67 100.587 100.587 105.849 -5.262 17598 8106 1 17 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.388 2.623 17598 8107 1 17 . 1 1 67 67 GLY H H 67 7.424 7.424 8.209 -0.785 17598 8108 1 17 . 1 1 68 68 LYS N N 68 130.952 130.952 128.231 2.721 17598 8109 1 17 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.875 -1.027 17598 8110 1 17 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.172 -0.193 17598 8111 1 17 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.478 -0.021 17598 8112 1 17 . 1 1 68 68 LYS H H 68 8.121 8.121 8.885 -0.764 17598 8113 1 17 . 1 1 69 69 VAL N N 69 126.813 126.813 127.345 -0.532 17598 8114 1 17 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.849 0.263 17598 8115 1 17 . 1 1 69 69 VAL CA C 69 63.283 63.283 63.288 -0.004 17598 8116 1 17 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.481 0.253 17598 8117 1 17 . 1 1 69 69 VAL H H 69 9.113 9.113 8.467 0.646 17598 8118 1 17 . 1 1 70 70 VAL N N 70 122.594 122.594 124.541 -1.947 17598 8119 1 17 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.583 0.022 17598 8120 1 17 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.636 -0.739 17598 8121 1 17 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.584 -0.941 17598 8122 1 17 . 1 1 70 70 VAL H H 70 8.968 8.968 8.684 0.284 17598 8123 1 17 . 1 1 71 71 GLY N N 71 110.562 110.562 109.420 1.142 17598 8124 1 17 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.399 1.800 17598 8125 1 17 . 1 1 71 71 GLY H H 71 7.638 7.638 8.143 -0.505 17598 8126 1 17 . 1 1 72 72 ILE N N 72 123.063 123.063 122.476 0.587 17598 8127 1 17 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.340 0.119 17598 8128 1 17 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.792 0.582 17598 8129 1 17 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.267 2.114 17598 8130 1 17 . 1 1 72 72 ILE H H 72 8.404 8.404 8.461 -0.057 17598 8131 1 17 . 1 1 73 73 SER N N 73 123.531 123.531 122.069 1.462 17598 8132 1 17 . 1 1 73 73 SER HA H 73 4.723 4.723 4.832 -0.109 17598 8133 1 17 . 1 1 73 73 SER CA C 73 56.220 56.220 56.860 -0.640 17598 8134 1 17 . 1 1 73 73 SER CB C 73 65.450 65.450 65.269 0.181 17598 8135 1 17 . 1 1 73 73 SER H H 73 8.801 8.801 8.842 -0.041 17598 8136 1 17 . 1 1 74 74 GLU N N 74 116.656 116.656 119.896 -3.240 17598 8137 1 17 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.364 -0.060 17598 8138 1 17 . 1 1 74 74 GLU CA C 74 55.730 55.730 55.761 -0.031 17598 8139 1 17 . 1 1 74 74 GLU CB C 74 29.102 29.102 28.139 0.963 17598 8140 1 17 . 1 1 74 74 GLU H H 74 8.537 8.537 8.645 -0.108 17598 8141 1 17 . 1 1 75 75 GLY N N 75 102.989 102.989 107.816 -4.827 17598 8142 1 17 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.232 -0.214 17598 8143 1 17 . 1 1 75 75 GLY H H 75 8.124 8.124 7.995 0.129 17598 8144 1 17 . 1 1 76 76 LYS N N 76 120.094 120.094 118.748 1.346 17598 8145 1 17 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.190 0.071 17598 8146 1 17 . 1 1 76 76 LYS CA C 76 56.601 56.601 54.653 1.948 17598 8147 1 17 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.902 -0.491 17598 8148 1 17 . 1 1 76 76 LYS H H 76 7.546 7.546 7.593 -0.047 17598 8149 1 17 . 1 1 77 77 ILE N N 77 121.344 121.344 122.785 -1.441 17598 8150 1 17 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.650 -0.100 17598 8151 1 17 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.652 1.195 17598 8152 1 17 . 1 1 77 77 ILE CB C 77 41.616 41.616 39.606 2.010 17598 8153 1 17 . 1 1 77 77 ILE H H 77 8.776 8.776 8.649 0.128 17598 8154 1 17 . 1 1 78 78 ASP N N 78 126.813 126.813 129.572 -2.759 17598 8155 1 17 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.229 -0.028 17598 8156 1 17 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.618 -0.498 17598 8157 1 17 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.998 0.954 17598 8158 1 17 . 1 1 78 78 ASP H H 78 8.964 8.964 8.502 0.462 17598 8159 1 17 . 1 1 79 79 VAL N N 79 124.156 124.156 118.483 5.673 17598 8160 1 17 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.013 0.166 17598 8161 1 17 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.916 -0.642 17598 8162 1 17 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.466 -0.387 17598 8163 1 17 . 1 1 79 79 VAL H H 79 9.060 9.060 9.114 -0.054 17598 8164 1 17 . 1 1 80 80 ILE N N 80 126.656 126.656 123.186 3.470 17598 8165 1 17 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.390 0.105 17598 8166 1 17 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.688 1.495 17598 8167 1 17 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.432 1.855 17598 8168 1 17 . 1 1 80 80 ILE H H 80 8.812 8.812 8.949 -0.137 17598 8169 1 17 . 1 1 81 81 GLU N N 81 126.656 126.656 128.084 -1.428 17598 8170 1 17 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.730 -0.108 17598 8171 1 17 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.639 0.435 17598 8172 1 17 . 1 1 81 81 GLU CB C 81 32.643 32.643 32.868 -0.225 17598 8173 1 17 . 1 1 81 81 GLU H H 81 8.283 8.283 8.754 -0.471 17598 8174 1 17 . 1 1 82 82 ILE N N 82 120.094 120.094 122.131 -2.037 17598 8175 1 17 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.758 0.275 17598 8176 1 17 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.116 1.112 17598 8177 1 17 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.553 1.485 17598 8178 1 17 . 1 1 82 82 ILE H H 82 8.252 8.252 8.441 -0.189 17598 8179 1 17 . 1 1 83 83 VAL N N 83 120.094 120.094 127.054 -6.960 17598 8180 1 17 . 1 1 83 83 VAL HA H 83 5.222 5.222 4.840 0.382 17598 8181 1 17 . 1 1 83 83 VAL CA C 83 57.223 57.223 58.200 -0.977 17598 8182 1 17 . 1 1 83 83 VAL CB C 83 33.593 33.593 36.602 -3.009 17598 8183 1 17 . 1 1 83 83 VAL H H 83 9.201 9.201 8.996 0.205 17598 8184 1 17 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.139 0.236 17598 8185 1 17 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.526 -0.484 17598 8186 1 17 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.088 -0.231 17598 8187 1 17 . 1 1 85 85 ASP N N 85 120.250 120.250 122.744 -2.494 17598 8188 1 17 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.618 -0.113 17598 8189 1 17 . 1 1 85 85 ASP CA C 85 52.497 52.497 55.724 -3.227 17598 8190 1 17 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.028 -0.794 17598 8191 1 17 . 1 1 85 85 ASP H H 85 8.083 8.083 8.402 -0.319 17598 8192 1 17 . 1 1 86 86 GLY N N 86 109.156 109.156 105.581 3.575 17598 8193 1 17 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.541 -0.489 17598 8194 1 17 . 1 1 86 86 GLY H H 86 8.160 8.160 8.284 -0.124 17598 8195 1 17 . 1 1 87 87 GLU N N 87 120.719 120.719 120.506 0.213 17598 8196 1 17 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.476 -0.035 17598 8197 1 17 . 1 1 87 87 GLU CA C 87 54.979 54.979 55.898 -0.919 17598 8198 1 17 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.472 -0.310 17598 8199 1 17 . 1 1 87 87 GLU H H 87 8.663 8.663 8.574 0.089 17598 8200 1 17 . 1 1 88 88 GLY N N 88 109.312 109.312 107.232 2.080 17598 8201 1 17 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.596 0.169 17598 8202 1 17 . 1 1 88 88 GLY H H 88 8.417 8.417 7.996 0.421 17598 8203 1 17 . 1 1 89 89 ASN N N 89 119.625 119.625 117.633 1.992 17598 8204 1 17 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.825 0.172 17598 8205 1 17 . 1 1 89 89 ASN CA C 89 50.970 50.970 51.971 -1.001 17598 8206 1 17 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.481 0.607 17598 8207 1 17 . 1 1 89 89 ASN H H 89 8.331 8.331 7.909 0.422 17598 8208 1 17 . 1 1 90 90 TRP N N 90 121.188 121.188 120.609 0.579 17598 8209 1 17 . 1 1 90 90 TRP HA H 90 5.161 5.161 4.956 0.205 17598 8210 1 17 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.787 -0.017 17598 8211 1 17 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.359 0.902 17598 8212 1 17 . 1 1 90 90 TRP H H 90 8.538 8.538 8.509 0.029 17598 8213 1 17 . 1 1 91 91 LEU N N 91 121.031 121.031 119.974 1.057 17598 8214 1 17 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.816 -0.001 17598 8215 1 17 . 1 1 91 91 LEU CA C 91 53.356 53.356 52.818 0.538 17598 8216 1 17 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.634 -1.391 17598 8217 1 17 . 1 1 91 91 LEU H H 91 9.518 9.518 9.079 0.439 17598 8218 1 17 . 1 1 92 92 GLU N N 92 119.156 119.156 120.364 -1.208 17598 8219 1 17 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.607 0.445 17598 8220 1 17 . 1 1 92 92 GLU CA C 92 55.360 55.360 57.235 -1.875 17598 8221 1 17 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.494 0.908 17598 8222 1 17 . 1 1 92 92 GLU H H 92 8.490 8.490 8.574 -0.084 17598 8223 1 17 . 1 1 93 93 ARG N N 93 124.938 124.938 122.141 2.797 17598 8224 1 17 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.816 0.248 17598 8225 1 17 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.673 0.021 17598 8226 1 17 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.691 1.470 17598 8227 1 17 . 1 1 93 93 ARG H H 93 9.283 9.283 8.582 0.701 17598 8228 1 17 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.906 0.337 17598 8229 1 17 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.757 -0.504 17598 8230 1 17 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.137 1.437 17598 8231 1 17 . 1 1 95 95 ARG N N 95 120.416 120.416 125.625 -5.209 17598 8232 1 17 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.605 0.091 17598 8233 1 17 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.191 0.432 17598 8234 1 17 . 1 1 95 95 ARG CB C 95 33.392 33.392 32.966 0.426 17598 8235 1 17 . 1 1 95 95 ARG H H 95 9.115 9.115 8.704 0.411 17598 8236 1 17 . 1 1 96 96 SER N N 96 115.719 115.719 119.004 -3.285 17598 8237 1 17 . 1 1 96 96 SER HA H 96 5.781 5.781 5.383 0.398 17598 8238 1 17 . 1 1 96 96 SER CA C 96 56.824 56.824 56.597 0.227 17598 8239 1 17 . 1 1 96 96 SER CB C 96 65.906 65.906 64.494 1.412 17598 8240 1 17 . 1 1 96 96 SER H H 96 8.676 8.676 8.510 0.166 17598 8241 1 17 . 1 1 97 97 LEU N N 97 126.188 126.188 127.471 -1.283 17598 8242 1 17 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.710 0.163 17598 8243 1 17 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.601 1.433 17598 8244 1 17 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.490 1.441 17598 8245 1 17 . 1 1 97 97 LEU H H 97 9.030 9.030 9.054 -0.024 17598 8246 1 17 . 1 1 98 98 THR N N 98 113.687 113.687 115.078 -1.391 17598 8247 1 17 . 1 1 98 98 THR HA H 98 4.869 4.869 4.725 0.144 17598 8248 1 17 . 1 1 98 98 THR CA C 98 60.265 60.265 60.425 -0.160 17598 8249 1 17 . 1 1 98 98 THR CB C 98 70.650 70.650 70.128 0.522 17598 8250 1 17 . 1 1 98 98 THR H H 98 8.410 8.410 8.301 0.109 17598 8251 1 17 . 1 1 99 99 LEU N N 99 126.344 126.344 123.378 2.966 17598 8252 1 17 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.165 -0.080 17598 8253 1 17 . 1 1 99 99 LEU CA C 99 55.771 55.771 55.313 0.458 17598 8254 1 17 . 1 1 99 99 LEU CB C 99 43.053 43.053 41.837 1.216 17598 8255 1 17 . 1 1 99 99 LEU H H 99 7.806 7.806 8.412 -0.606 17598 8256 1 17 . 1 1 100 100 LYS N N 100 128.063 128.063 126.157 1.906 17598 8257 1 17 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.087 0.308 17598 8258 1 17 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.200 -1.286 17598 8259 1 17 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.210 0.850 17598 8260 1 17 . 1 1 100 100 LYS H H 100 8.816 8.816 8.792 0.024 17598 8261 1 17 . 1 1 101 101 GLU N N 101 123.531 123.531 125.447 -1.916 17598 8262 1 17 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.275 -0.286 17598 8263 1 17 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.909 -0.939 17598 8264 1 17 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.644 -0.055 17598 8265 1 17 . 1 1 101 101 GLU H H 101 8.323 8.323 8.856 -0.533 17598 8266 1 17 . 1 1 102 102 ARG N N 102 122.965 122.965 120.059 2.906 17598 8267 1 17 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.458 -0.091 17598 8268 1 17 . 1 1 102 102 ARG CA C 102 55.774 55.774 55.601 0.173 17598 8269 1 17 . 1 1 102 102 ARG CB C 102 30.559 30.559 31.506 -0.947 17598 8270 1 17 . 1 1 102 102 ARG H H 102 8.414 8.414 7.989 0.425 17598 8271 1 17 . 1 1 103 103 SER N N 103 117.435 117.435 117.822 -0.387 17598 8272 1 17 . 1 1 103 103 SER HA H 103 4.431 4.431 4.384 0.047 17598 8273 1 17 . 1 1 103 103 SER CA C 103 58.079 58.079 58.367 -0.288 17598 8274 1 17 . 1 1 103 103 SER CB C 103 63.554 63.554 63.917 -0.363 17598 8275 1 17 . 1 1 103 103 SER H H 103 8.423 8.423 8.333 0.090 17598 8276 1 17 . 1 1 104 104 LEU N N 104 124.423 124.423 124.181 0.242 17598 8277 1 17 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.341 -0.017 17598 8278 1 17 . 1 1 104 104 LEU CA C 104 55.124 55.124 55.908 -0.784 17598 8279 1 17 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.706 -0.717 17598 8280 1 17 . 1 1 104 104 LEU H H 104 8.369 8.369 8.396 -0.027 17598 8281 1 17 . 1 1 105 105 GLU N N 105 120.875 120.875 117.653 3.222 17598 8282 1 17 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.410 -0.396 17598 8283 1 17 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.527 1.418 17598 8284 1 17 . 1 1 105 105 GLU CB C 105 29.846 29.846 29.909 -0.063 17598 8285 1 17 . 1 1 105 105 GLU H H 105 8.249 8.249 8.508 -0.259 17598 8286 1 17 . 1 1 106 106 HIS N N 106 120.719 120.719 120.840 -0.121 17598 8287 1 17 . 1 1 106 106 HIS CA C 106 56.608 56.608 57.015 -0.407 17598 8288 1 17 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.259 2.189 17598 8289 1 17 . 1 1 106 106 HIS H H 106 8.274 8.274 7.996 0.278 17598 8290 1 17 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.504 0.082 17598 8291 1 17 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.576 0.228 17598 8292 1 17 . 1 1 107 107 HIS CB C 107 30.424 30.424 31.460 -1.036 17598 8293 1 17 . 1 1 108 108 HIS N N 108 125.843 125.843 117.414 8.429 17598 8294 1 17 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.768 1.337 17598 8295 1 17 . 1 1 108 108 HIS CB C 108 30.424 30.424 31.468 -1.044 17598 8296 1 17 . 1 1 108 108 HIS H H 108 7.941 7.941 8.595 -0.654 17598 8297 1 18 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.670 -0.295 17598 8298 1 18 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.918 0.432 17598 8299 1 18 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.480 -0.432 17598 8300 1 18 . 1 1 3 3 THR N N 3 114.937 114.937 117.626 -2.689 17598 8301 1 18 . 1 1 3 3 THR HA H 3 4.205 4.205 4.575 -0.370 17598 8302 1 18 . 1 1 3 3 THR CA C 3 62.493 62.493 61.960 0.533 17598 8303 1 18 . 1 1 3 3 THR CB C 3 69.391 69.391 69.603 -0.212 17598 8304 1 18 . 1 1 3 3 THR H H 3 8.316 8.316 8.518 -0.202 17598 8305 1 18 . 1 1 4 4 VAL N N 4 122.438 122.438 126.377 -3.939 17598 8306 1 18 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.261 -0.193 17598 8307 1 18 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.911 0.582 17598 8308 1 18 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.030 0.328 17598 8309 1 18 . 1 1 4 4 VAL H H 4 7.953 7.953 8.532 -0.579 17598 8310 1 18 . 1 1 5 5 ARG N N 5 124.781 124.781 129.065 -4.284 17598 8311 1 18 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.554 -0.204 17598 8312 1 18 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.043 -0.201 17598 8313 1 18 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.323 0.320 17598 8314 1 18 . 1 1 5 5 ARG H H 5 8.319 8.319 8.557 -0.238 17598 8315 1 18 . 1 1 6 6 GLN N N 6 121.656 121.656 121.479 0.177 17598 8316 1 18 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.379 0.463 17598 8317 1 18 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.823 -0.634 17598 8318 1 18 . 1 1 6 6 GLN H H 6 8.373 8.373 8.122 0.251 17598 8319 1 18 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.622 -0.813 17598 8320 1 18 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.804 -1.972 17598 8321 1 18 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.559 -3.496 17598 8322 1 18 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.673 -0.944 17598 8323 1 18 . 1 1 8 8 GLY H H 8 8.407 8.407 8.573 -0.166 17598 8324 1 18 . 1 1 9 9 ASN N N 9 118.812 118.812 120.341 -1.529 17598 8325 1 18 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.926 -0.210 17598 8326 1 18 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.072 -0.189 17598 8327 1 18 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.267 -0.375 17598 8328 1 18 . 1 1 9 9 ASN H H 9 8.337 8.337 8.491 -0.154 17598 8329 1 18 . 1 1 10 10 LYS N N 10 122.131 122.131 118.839 3.292 17598 8330 1 18 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.760 -0.428 17598 8331 1 18 . 1 1 10 10 LYS CA C 10 55.970 55.970 54.554 1.415 17598 8332 1 18 . 1 1 10 10 LYS CB C 10 32.574 32.574 35.650 -3.076 17598 8333 1 18 . 1 1 10 10 LYS H H 10 8.253 8.253 8.179 0.074 17598 8334 1 18 . 1 1 11 11 VAL N N 11 123.026 123.026 115.637 7.389 17598 8335 1 18 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.619 -0.483 17598 8336 1 18 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.889 1.116 17598 8337 1 18 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.772 -1.950 17598 8338 1 18 . 1 1 11 11 VAL H H 11 8.428 8.428 8.207 0.221 17598 8339 1 18 . 1 1 12 12 ILE N N 12 127.174 127.174 122.005 5.169 17598 8340 1 18 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.132 -0.028 17598 8341 1 18 . 1 1 12 12 ILE CA C 12 60.002 60.002 61.718 -1.716 17598 8342 1 18 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.254 -0.521 17598 8343 1 18 . 1 1 12 12 ILE H H 12 8.345 8.345 8.181 0.164 17598 8344 1 18 . 1 1 13 13 LYS N N 13 122.906 122.906 124.299 -1.393 17598 8345 1 18 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.253 -0.436 17598 8346 1 18 . 1 1 13 13 LYS CA C 13 53.957 53.957 55.453 -1.496 17598 8347 1 18 . 1 1 13 13 LYS CB C 13 32.517 32.517 31.846 0.671 17598 8348 1 18 . 1 1 13 13 LYS H H 13 7.662 7.662 8.226 -0.564 17598 8349 1 18 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.184 -0.259 17598 8350 1 18 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.654 -0.117 17598 8351 1 18 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.977 -0.385 17598 8352 1 18 . 1 1 15 15 ASP N N 15 121.969 121.969 121.605 0.364 17598 8353 1 18 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.653 -0.130 17598 8354 1 18 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.132 -0.158 17598 8355 1 18 . 1 1 15 15 ASP CB C 15 40.470 40.470 40.147 0.323 17598 8356 1 18 . 1 1 15 15 ASP H H 15 8.607 8.607 8.570 0.037 17598 8357 1 18 . 1 1 16 16 GLU N N 16 126.813 126.813 119.850 6.963 17598 8358 1 18 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.340 -0.148 17598 8359 1 18 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.541 1.110 17598 8360 1 18 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.694 -0.486 17598 8361 1 18 . 1 1 16 16 GLU H H 16 9.032 9.032 8.122 0.910 17598 8362 1 18 . 1 1 17 17 THR N N 17 110.875 110.875 113.784 -2.909 17598 8363 1 18 . 1 1 17 17 THR HA H 17 4.313 4.313 4.360 -0.047 17598 8364 1 18 . 1 1 17 17 THR CA C 17 61.660 61.660 62.996 -1.336 17598 8365 1 18 . 1 1 17 17 THR CB C 17 69.392 69.392 69.569 -0.177 17598 8366 1 18 . 1 1 17 17 THR H H 17 8.453 8.453 7.936 0.517 17598 8367 1 18 . 1 1 18 18 ARG N N 18 124.313 124.313 121.755 2.558 17598 8368 1 18 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.199 -0.092 17598 8369 1 18 . 1 1 18 18 ARG CA C 18 55.933 55.933 58.223 -2.290 17598 8370 1 18 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.119 0.902 17598 8371 1 18 . 1 1 18 18 ARG H H 18 6.969 6.969 7.998 -1.029 17598 8372 1 18 . 1 1 19 19 VAL N N 19 127.750 127.750 118.564 9.186 17598 8373 1 18 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.251 -0.458 17598 8374 1 18 . 1 1 19 19 VAL CA C 19 62.530 62.530 61.427 1.103 17598 8375 1 18 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.641 -1.620 17598 8376 1 18 . 1 1 19 19 VAL H H 19 8.494 8.494 8.262 0.232 17598 8377 1 18 . 1 1 20 20 LYS N N 20 129.005 129.005 127.839 1.166 17598 8378 1 18 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.697 -0.615 17598 8379 1 18 . 1 1 20 20 LYS CA C 20 56.797 56.797 54.676 2.121 17598 8380 1 18 . 1 1 20 20 LYS CB C 20 33.025 33.025 31.664 1.361 17598 8381 1 18 . 1 1 20 20 LYS H H 20 8.406 8.406 8.486 -0.080 17598 8382 1 18 . 1 1 21 21 GLN N N 21 122.125 122.125 120.698 1.427 17598 8383 1 18 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.201 0.230 17598 8384 1 18 . 1 1 21 21 GLN CA C 21 56.697 56.697 56.139 0.558 17598 8385 1 18 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.347 -0.140 17598 8386 1 18 . 1 1 21 21 GLN H H 21 9.783 9.783 8.285 1.498 17598 8387 1 18 . 1 1 22 22 PHE N N 22 126.785 126.785 121.187 5.598 17598 8388 1 18 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.252 0.040 17598 8389 1 18 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.819 1.087 17598 8390 1 18 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.344 -0.239 17598 8391 1 18 . 1 1 22 22 PHE H H 22 9.214 9.214 8.669 0.545 17598 8392 1 18 . 1 1 23 23 LEU N N 23 115.846 115.846 116.657 -0.811 17598 8393 1 18 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.084 0.036 17598 8394 1 18 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.814 -0.456 17598 8395 1 18 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.614 -0.517 17598 8396 1 18 . 1 1 23 23 LEU H H 23 9.173 9.173 8.322 0.851 17598 8397 1 18 . 1 1 24 24 GLU N N 24 117.032 117.032 118.563 -1.531 17598 8398 1 18 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.268 0.543 17598 8399 1 18 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.670 -2.015 17598 8400 1 18 . 1 1 24 24 GLU CB C 24 29.298 29.298 28.955 0.343 17598 8401 1 18 . 1 1 24 24 GLU H H 24 7.789 7.789 8.429 -0.640 17598 8402 1 18 . 1 1 25 25 GLY N N 25 105.050 105.050 105.842 -0.792 17598 8403 1 18 . 1 1 25 25 GLY CA C 25 44.407 44.407 45.018 -0.611 17598 8404 1 18 . 1 1 25 25 GLY H H 25 7.640 7.640 7.352 0.288 17598 8405 1 18 . 1 1 26 26 PHE N N 26 115.467 115.467 119.207 -3.740 17598 8406 1 18 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.679 -0.175 17598 8407 1 18 . 1 1 26 26 PHE CA C 26 55.527 55.527 56.202 -0.674 17598 8408 1 18 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.884 2.233 17598 8409 1 18 . 1 1 26 26 PHE H H 26 6.508 6.508 7.681 -1.173 17598 8410 1 18 . 1 1 27 27 ASN N N 27 118.006 118.006 117.193 0.813 17598 8411 1 18 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.473 0.015 17598 8412 1 18 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.618 -1.589 17598 8413 1 18 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.781 -1.063 17598 8414 1 18 . 1 1 27 27 ASN H H 27 8.788 8.788 8.566 0.222 17598 8415 1 18 . 1 1 28 28 ILE N N 28 129.126 129.126 121.591 7.535 17598 8416 1 18 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.806 -0.118 17598 8417 1 18 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.731 2.176 17598 8418 1 18 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.652 0.391 17598 8419 1 18 . 1 1 28 28 ILE H H 28 9.557 9.557 8.110 1.447 17598 8420 1 18 . 1 1 29 29 GLU N N 29 120.068 120.068 119.388 0.680 17598 8421 1 18 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.049 0.180 17598 8422 1 18 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.722 -0.375 17598 8423 1 18 . 1 1 29 29 GLU CB C 29 28.129 28.129 29.269 -1.140 17598 8424 1 18 . 1 1 29 29 GLU H H 29 9.064 9.064 8.621 0.443 17598 8425 1 18 . 1 1 30 30 THR N N 30 109.404 109.404 110.536 -1.132 17598 8426 1 18 . 1 1 30 30 THR HA H 30 4.303 4.303 4.081 0.222 17598 8427 1 18 . 1 1 30 30 THR CA C 30 62.079 62.079 63.260 -1.181 17598 8428 1 18 . 1 1 30 30 THR CB C 30 69.583 69.583 68.449 1.134 17598 8429 1 18 . 1 1 30 30 THR H H 30 7.789 7.789 7.851 -0.062 17598 8430 1 18 . 1 1 31 31 PHE N N 31 120.250 120.250 120.151 0.099 17598 8431 1 18 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.927 0.499 17598 8432 1 18 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.775 -0.319 17598 8433 1 18 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.005 -0.012 17598 8434 1 18 . 1 1 31 31 PHE H H 31 7.236 7.236 6.859 0.378 17598 8435 1 18 . 1 1 32 32 GLU N N 32 118.531 118.531 120.104 -1.573 17598 8436 1 18 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.690 0.097 17598 8437 1 18 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.044 -1.115 17598 8438 1 18 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.584 0.109 17598 8439 1 18 . 1 1 32 32 GLU H H 32 8.644 8.644 9.164 -0.520 17598 8440 1 18 . 1 1 33 33 MET N N 33 127.438 127.438 125.916 1.522 17598 8441 1 18 . 1 1 33 33 MET HA H 33 4.643 4.643 4.237 0.406 17598 8442 1 18 . 1 1 33 33 MET CA C 33 56.411 56.411 57.179 -0.768 17598 8443 1 18 . 1 1 33 33 MET CB C 33 32.050 32.050 32.640 -0.590 17598 8444 1 18 . 1 1 33 33 MET H H 33 9.679 9.679 9.169 0.510 17598 8445 1 18 . 1 1 34 34 VAL N N 34 119.176 119.176 124.486 -5.310 17598 8446 1 18 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.392 0.382 17598 8447 1 18 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.252 -0.256 17598 8448 1 18 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.394 -0.545 17598 8449 1 18 . 1 1 34 34 VAL H H 34 8.897 8.897 8.715 0.182 17598 8450 1 18 . 1 1 35 35 GLY N N 35 108.249 108.249 107.827 0.422 17598 8451 1 18 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.474 -0.290 17598 8452 1 18 . 1 1 35 35 GLY H H 35 7.589 7.589 7.943 -0.354 17598 8453 1 18 . 1 1 36 36 THR N N 36 110.562 110.562 112.489 -1.927 17598 8454 1 18 . 1 1 36 36 THR HA H 36 5.088 5.088 4.624 0.464 17598 8455 1 18 . 1 1 36 36 THR CA C 36 60.060 60.060 60.343 -0.283 17598 8456 1 18 . 1 1 36 36 THR CB C 36 72.335 72.335 71.877 0.458 17598 8457 1 18 . 1 1 36 36 THR H H 36 8.300 8.300 8.114 0.186 17598 8458 1 18 . 1 1 37 37 LEU N N 37 122.334 122.334 124.567 -2.233 17598 8459 1 18 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.914 -0.209 17598 8460 1 18 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.624 0.897 17598 8461 1 18 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.530 0.785 17598 8462 1 18 . 1 1 37 37 LEU H H 37 8.886 8.886 8.834 0.052 17598 8463 1 18 . 1 1 38 38 SER N N 38 119.156 119.156 119.026 0.130 17598 8464 1 18 . 1 1 38 38 SER HA H 38 5.489 5.489 5.594 -0.105 17598 8465 1 18 . 1 1 38 38 SER CA C 38 56.819 56.819 57.286 -0.467 17598 8466 1 18 . 1 1 38 38 SER CB C 38 64.655 64.655 65.144 -0.489 17598 8467 1 18 . 1 1 38 38 SER H H 38 8.694 8.694 8.475 0.219 17598 8468 1 18 . 1 1 39 39 ASN N N 39 124.156 124.156 121.768 2.388 17598 8469 1 18 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.470 -1.666 17598 8470 1 18 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.283 -0.420 17598 8471 1 18 . 1 1 39 39 ASN H H 39 9.068 9.068 8.859 0.209 17598 8472 1 18 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.122 0.045 17598 8473 1 18 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.596 0.130 17598 8474 1 18 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.355 -0.144 17598 8475 1 18 . 1 1 41 41 GLN N N 41 114.937 114.937 117.022 -2.085 17598 8476 1 18 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.203 0.147 17598 8477 1 18 . 1 1 41 41 GLN CA C 41 56.695 56.695 57.192 -0.497 17598 8478 1 18 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.780 -0.792 17598 8479 1 18 . 1 1 41 41 GLN H H 41 8.399 8.399 8.257 0.142 17598 8480 1 18 . 1 1 42 42 GLY N N 42 108.502 108.502 105.878 2.624 17598 8481 1 18 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.389 0.182 17598 8482 1 18 . 1 1 42 42 GLY H H 42 7.892 7.892 8.085 -0.193 17598 8483 1 18 . 1 1 43 43 THR N N 43 116.344 116.344 117.961 -1.617 17598 8484 1 18 . 1 1 43 43 THR HA H 43 3.749 3.749 5.179 -1.430 17598 8485 1 18 . 1 1 43 43 THR CA C 43 69.834 69.834 61.234 8.600 17598 8486 1 18 . 1 1 43 43 THR CB C 43 70.316 70.316 70.549 -0.232 17598 8487 1 18 . 1 1 43 43 THR H H 43 7.762 7.762 7.896 -0.134 17598 8488 1 18 . 1 1 44 44 PHE N N 44 123.688 123.688 123.239 0.449 17598 8489 1 18 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.778 0.328 17598 8490 1 18 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.463 -0.916 17598 8491 1 18 . 1 1 44 44 PHE CB C 44 41.905 41.905 43.509 -1.604 17598 8492 1 18 . 1 1 44 44 PHE H H 44 9.283 9.283 9.270 0.013 17598 8493 1 18 . 1 1 45 45 ALA N N 45 122.438 122.438 122.981 -0.543 17598 8494 1 18 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.872 0.079 17598 8495 1 18 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.616 -0.506 17598 8496 1 18 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.631 0.006 17598 8497 1 18 . 1 1 45 45 ALA H H 45 9.579 9.579 9.277 0.302 17598 8498 1 18 . 1 1 46 46 LEU N N 46 121.500 121.500 123.895 -2.395 17598 8499 1 18 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.515 -0.372 17598 8500 1 18 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.580 -0.598 17598 8501 1 18 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.617 -1.198 17598 8502 1 18 . 1 1 46 46 LEU H H 46 8.472 8.472 8.901 -0.429 17598 8503 1 18 . 1 1 47 47 VAL N N 47 122.125 122.125 123.639 -1.514 17598 8504 1 18 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.555 0.360 17598 8505 1 18 . 1 1 47 47 VAL CA C 47 59.423 59.423 58.827 0.596 17598 8506 1 18 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.401 -1.573 17598 8507 1 18 . 1 1 47 47 VAL H H 47 9.175 9.175 8.859 0.316 17598 8508 1 18 . 1 1 48 48 LYS N N 48 129.000 129.000 124.319 4.681 17598 8509 1 18 . 1 1 48 48 LYS HA H 48 5.198 5.198 5.095 0.103 17598 8510 1 18 . 1 1 48 48 LYS CA C 48 54.726 54.726 53.849 0.877 17598 8511 1 18 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.253 -0.220 17598 8512 1 18 . 1 1 48 48 LYS H H 48 9.675 9.675 8.770 0.905 17598 8513 1 18 . 1 1 49 49 GLY N N 49 113.844 113.844 111.627 2.217 17598 8514 1 18 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.500 -0.624 17598 8515 1 18 . 1 1 49 49 GLY H H 49 8.792 8.792 8.270 0.522 17598 8516 1 18 . 1 1 50 50 ALA N N 50 123.844 123.844 123.586 0.258 17598 8517 1 18 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.927 -0.475 17598 8518 1 18 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.368 -0.386 17598 8519 1 18 . 1 1 50 50 ALA CB C 50 16.950 16.950 16.758 0.192 17598 8520 1 18 . 1 1 50 50 ALA H H 50 8.963 8.963 8.630 0.333 17598 8521 1 18 . 1 1 51 51 GLY N N 51 105.406 105.406 111.699 -6.293 17598 8522 1 18 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.024 0.520 17598 8523 1 18 . 1 1 51 51 GLY H H 51 8.582 8.582 8.545 0.037 17598 8524 1 18 . 1 1 52 52 GLY N N 52 108.644 108.644 109.528 -0.884 17598 8525 1 18 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.195 -0.046 17598 8526 1 18 . 1 1 52 52 GLY H H 52 7.692 7.692 8.364 -0.672 17598 8527 1 18 . 1 1 53 53 VAL N N 53 121.656 121.656 120.308 1.348 17598 8528 1 18 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.748 -0.161 17598 8529 1 18 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.953 1.792 17598 8530 1 18 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.404 -1.437 17598 8531 1 18 . 1 1 53 53 VAL H H 53 7.928 7.928 8.002 -0.074 17598 8532 1 18 . 1 1 54 54 HIS N N 54 128.219 128.219 123.896 4.323 17598 8533 1 18 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.005 -0.382 17598 8534 1 18 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.944 0.922 17598 8535 1 18 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.922 1.381 17598 8536 1 18 . 1 1 54 54 HIS H H 54 9.188 9.188 8.905 0.283 17598 8537 1 18 . 1 1 55 55 ARG N N 55 122.125 122.125 123.713 -1.588 17598 8538 1 18 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.388 -0.361 17598 8539 1 18 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.839 0.445 17598 8540 1 18 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.035 -1.278 17598 8541 1 18 . 1 1 55 55 ARG H H 55 8.816 8.816 8.609 0.207 17598 8542 1 18 . 1 1 56 56 VAL N N 56 124.229 124.229 117.477 6.752 17598 8543 1 18 . 1 1 56 56 VAL HA H 56 4.708 4.708 5.047 -0.339 17598 8544 1 18 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.115 0.567 17598 8545 1 18 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.872 -0.405 17598 8546 1 18 . 1 1 56 56 VAL H H 56 9.444 9.444 9.015 0.429 17598 8547 1 18 . 1 1 57 57 ARG N N 57 124.554 124.554 122.397 2.157 17598 8548 1 18 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.695 0.128 17598 8549 1 18 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.708 -0.384 17598 8550 1 18 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.547 1.438 17598 8551 1 18 . 1 1 57 57 ARG H H 57 9.124 9.124 8.890 0.234 17598 8552 1 18 . 1 1 58 58 VAL N N 58 120.250 120.250 120.316 -0.066 17598 8553 1 18 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.536 -0.181 17598 8554 1 18 . 1 1 58 58 VAL CA C 58 65.446 65.446 65.191 0.255 17598 8555 1 18 . 1 1 58 58 VAL CB C 58 30.932 30.932 31.831 -0.898 17598 8556 1 18 . 1 1 58 58 VAL H H 58 8.327 8.327 8.397 -0.070 17598 8557 1 18 . 1 1 59 59 GLY N N 59 117.437 117.437 115.883 1.554 17598 8558 1 18 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.546 0.029 17598 8559 1 18 . 1 1 59 59 GLY H H 59 9.097 9.097 8.577 0.520 17598 8560 1 18 . 1 1 60 60 ASP N N 60 121.031 121.031 121.835 -0.804 17598 8561 1 18 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.514 0.437 17598 8562 1 18 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.630 -1.288 17598 8563 1 18 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.441 0.317 17598 8564 1 18 . 1 1 60 60 ASP H H 60 7.800 7.800 7.907 -0.107 17598 8565 1 18 . 1 1 61 61 TYR N N 61 115.406 115.406 115.065 0.341 17598 8566 1 18 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.332 0.258 17598 8567 1 18 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.885 -0.093 17598 8568 1 18 . 1 1 61 61 TYR CB C 61 42.570 42.570 42.208 0.362 17598 8569 1 18 . 1 1 61 61 TYR H H 61 7.834 7.834 8.263 -0.429 17598 8570 1 18 . 1 1 62 62 LEU N N 62 117.750 117.750 121.213 -3.463 17598 8571 1 18 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.698 -0.397 17598 8572 1 18 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.825 -0.828 17598 8573 1 18 . 1 1 62 62 LEU CB C 62 46.770 46.770 47.188 -0.418 17598 8574 1 18 . 1 1 62 62 LEU H H 62 9.362 9.362 8.757 0.605 17598 8575 1 18 . 1 1 63 63 GLY N N 63 107.303 107.303 109.138 -1.835 17598 8576 1 18 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.095 -0.807 17598 8577 1 18 . 1 1 63 63 GLY H H 63 7.945 7.945 8.638 -0.693 17598 8578 1 18 . 1 1 64 64 ARG N N 64 113.687 113.687 121.156 -7.469 17598 8579 1 18 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.248 0.193 17598 8580 1 18 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.852 -0.583 17598 8581 1 18 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.449 0.297 17598 8582 1 18 . 1 1 64 64 ARG H H 64 8.424 8.424 8.497 -0.073 17598 8583 1 18 . 1 1 65 65 ASN N N 65 121.626 121.626 115.940 5.686 17598 8584 1 18 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.714 0.785 17598 8585 1 18 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.989 0.367 17598 8586 1 18 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.313 1.203 17598 8587 1 18 . 1 1 65 65 ASN H H 65 9.529 9.529 8.004 1.525 17598 8588 1 18 . 1 1 66 66 ASP N N 66 116.656 116.656 117.214 -0.558 17598 8589 1 18 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.349 -0.450 17598 8590 1 18 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.350 -0.562 17598 8591 1 18 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.823 0.597 17598 8592 1 18 . 1 1 66 66 ASP H H 66 9.397 9.397 7.881 1.516 17598 8593 1 18 . 1 1 67 67 GLY N N 67 100.587 100.587 105.641 -5.054 17598 8594 1 18 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.267 2.744 17598 8595 1 18 . 1 1 67 67 GLY H H 67 7.424 7.424 8.239 -0.815 17598 8596 1 18 . 1 1 68 68 LYS N N 68 130.952 130.952 128.277 2.675 17598 8597 1 18 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.694 -0.846 17598 8598 1 18 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.064 -0.085 17598 8599 1 18 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.462 -0.005 17598 8600 1 18 . 1 1 68 68 LYS H H 68 8.121 8.121 8.701 -0.580 17598 8601 1 18 . 1 1 69 69 VAL N N 69 126.813 126.813 127.234 -0.421 17598 8602 1 18 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.789 0.323 17598 8603 1 18 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.272 -0.989 17598 8604 1 18 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.265 -0.531 17598 8605 1 18 . 1 1 69 69 VAL H H 69 9.113 9.113 8.372 0.741 17598 8606 1 18 . 1 1 70 70 VAL N N 70 122.594 122.594 123.394 -0.800 17598 8607 1 18 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.527 0.078 17598 8608 1 18 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.469 -0.572 17598 8609 1 18 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.544 -0.901 17598 8610 1 18 . 1 1 70 70 VAL H H 70 8.968 8.968 8.618 0.350 17598 8611 1 18 . 1 1 71 71 GLY N N 71 110.562 110.562 109.716 0.846 17598 8612 1 18 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.321 1.878 17598 8613 1 18 . 1 1 71 71 GLY H H 71 7.638 7.638 8.101 -0.463 17598 8614 1 18 . 1 1 72 72 ILE N N 72 123.063 123.063 122.865 0.198 17598 8615 1 18 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.356 0.103 17598 8616 1 18 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.741 0.633 17598 8617 1 18 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.061 2.320 17598 8618 1 18 . 1 1 72 72 ILE H H 72 8.404 8.404 8.424 -0.020 17598 8619 1 18 . 1 1 73 73 SER N N 73 123.531 123.531 123.318 0.213 17598 8620 1 18 . 1 1 73 73 SER HA H 73 4.723 4.723 4.898 -0.175 17598 8621 1 18 . 1 1 73 73 SER CA C 73 56.220 56.220 56.878 -0.658 17598 8622 1 18 . 1 1 73 73 SER CB C 73 65.450 65.450 64.815 0.635 17598 8623 1 18 . 1 1 73 73 SER H H 73 8.801 8.801 8.912 -0.111 17598 8624 1 18 . 1 1 74 74 GLU N N 74 116.656 116.656 117.789 -1.133 17598 8625 1 18 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.370 -0.066 17598 8626 1 18 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.338 -1.608 17598 8627 1 18 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.323 -1.221 17598 8628 1 18 . 1 1 74 74 GLU H H 74 8.537 8.537 8.604 -0.067 17598 8629 1 18 . 1 1 75 75 GLY N N 75 102.989 102.989 106.259 -3.270 17598 8630 1 18 . 1 1 75 75 GLY CA C 75 45.018 45.018 45.048 -0.030 17598 8631 1 18 . 1 1 75 75 GLY H H 75 8.124 8.124 8.410 -0.286 17598 8632 1 18 . 1 1 76 76 LYS N N 76 120.094 120.094 116.784 3.310 17598 8633 1 18 . 1 1 76 76 LYS HA H 76 5.261 5.261 4.969 0.292 17598 8634 1 18 . 1 1 76 76 LYS CA C 76 56.601 56.601 54.855 1.746 17598 8635 1 18 . 1 1 76 76 LYS CB C 76 35.411 35.411 35.261 0.150 17598 8636 1 18 . 1 1 76 76 LYS H H 76 7.546 7.546 7.312 0.234 17598 8637 1 18 . 1 1 77 77 ILE N N 77 121.344 121.344 122.220 -0.876 17598 8638 1 18 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.723 -0.173 17598 8639 1 18 . 1 1 77 77 ILE CA C 77 59.847 59.847 58.501 1.346 17598 8640 1 18 . 1 1 77 77 ILE CB C 77 41.616 41.616 39.742 1.874 17598 8641 1 18 . 1 1 77 77 ILE H H 77 8.776 8.776 8.691 0.085 17598 8642 1 18 . 1 1 78 78 ASP N N 78 126.813 126.813 129.221 -2.408 17598 8643 1 18 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.114 0.087 17598 8644 1 18 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.771 -0.651 17598 8645 1 18 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.953 0.999 17598 8646 1 18 . 1 1 78 78 ASP H H 78 8.964 8.964 8.488 0.476 17598 8647 1 18 . 1 1 79 79 VAL N N 79 124.156 124.156 117.997 6.159 17598 8648 1 18 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.055 0.124 17598 8649 1 18 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.829 -0.555 17598 8650 1 18 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.455 -0.376 17598 8651 1 18 . 1 1 79 79 VAL H H 79 9.060 9.060 9.101 -0.041 17598 8652 1 18 . 1 1 80 80 ILE N N 80 126.656 126.656 122.698 3.958 17598 8653 1 18 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.385 0.110 17598 8654 1 18 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.627 1.556 17598 8655 1 18 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.372 1.915 17598 8656 1 18 . 1 1 80 80 ILE H H 80 8.812 8.812 8.911 -0.099 17598 8657 1 18 . 1 1 81 81 GLU N N 81 126.656 126.656 128.176 -1.520 17598 8658 1 18 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.913 -0.291 17598 8659 1 18 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.844 0.230 17598 8660 1 18 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.043 -0.400 17598 8661 1 18 . 1 1 81 81 GLU H H 81 8.283 8.283 8.555 -0.272 17598 8662 1 18 . 1 1 82 82 ILE N N 82 120.094 120.094 122.369 -2.275 17598 8663 1 18 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.041 -0.008 17598 8664 1 18 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.130 1.098 17598 8665 1 18 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.947 1.091 17598 8666 1 18 . 1 1 82 82 ILE H H 82 8.252 8.252 8.669 -0.417 17598 8667 1 18 . 1 1 83 83 VAL N N 83 120.094 120.094 121.015 -0.921 17598 8668 1 18 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.088 0.134 17598 8669 1 18 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.896 -0.673 17598 8670 1 18 . 1 1 83 83 VAL CB C 83 33.593 33.593 33.763 -0.170 17598 8671 1 18 . 1 1 83 83 VAL H H 83 9.201 9.201 9.012 0.189 17598 8672 1 18 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.442 -0.067 17598 8673 1 18 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.496 -0.454 17598 8674 1 18 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.571 -0.714 17598 8675 1 18 . 1 1 85 85 ASP N N 85 120.250 120.250 120.425 -0.175 17598 8676 1 18 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.615 -0.110 17598 8677 1 18 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.498 -2.001 17598 8678 1 18 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.525 -1.291 17598 8679 1 18 . 1 1 85 85 ASP H H 85 8.083 8.083 8.242 -0.159 17598 8680 1 18 . 1 1 86 86 GLY N N 86 109.156 109.156 106.722 2.434 17598 8681 1 18 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.545 -0.494 17598 8682 1 18 . 1 1 86 86 GLY H H 86 8.160 8.160 8.357 -0.197 17598 8683 1 18 . 1 1 87 87 GLU N N 87 120.719 120.719 119.940 0.779 17598 8684 1 18 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.529 -0.088 17598 8685 1 18 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.284 -1.305 17598 8686 1 18 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.967 -0.805 17598 8687 1 18 . 1 1 87 87 GLU H H 87 8.663 8.663 8.414 0.249 17598 8688 1 18 . 1 1 88 88 GLY N N 88 109.312 109.312 108.040 1.272 17598 8689 1 18 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.952 -0.187 17598 8690 1 18 . 1 1 88 88 GLY H H 88 8.417 8.417 8.002 0.415 17598 8691 1 18 . 1 1 89 89 ASN N N 89 119.625 119.625 120.891 -1.266 17598 8692 1 18 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.593 0.404 17598 8693 1 18 . 1 1 89 89 ASN CA C 89 50.970 50.970 54.330 -3.360 17598 8694 1 18 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.036 1.052 17598 8695 1 18 . 1 1 89 89 ASN H H 89 8.331 8.331 7.941 0.390 17598 8696 1 18 . 1 1 90 90 TRP N N 90 121.188 121.188 117.884 3.304 17598 8697 1 18 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.212 -0.051 17598 8698 1 18 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.509 0.261 17598 8699 1 18 . 1 1 90 90 TRP CB C 90 32.261 32.261 32.131 0.130 17598 8700 1 18 . 1 1 90 90 TRP H H 90 8.538 8.538 8.206 0.332 17598 8701 1 18 . 1 1 91 91 LEU N N 91 121.031 121.031 117.627 3.404 17598 8702 1 18 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.777 0.038 17598 8703 1 18 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.433 -0.077 17598 8704 1 18 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.970 -1.727 17598 8705 1 18 . 1 1 91 91 LEU H H 91 9.518 9.518 9.126 0.392 17598 8706 1 18 . 1 1 92 92 GLU N N 92 119.156 119.156 121.128 -1.972 17598 8707 1 18 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.679 0.373 17598 8708 1 18 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.302 -0.942 17598 8709 1 18 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.570 0.832 17598 8710 1 18 . 1 1 92 92 GLU H H 92 8.490 8.490 8.594 -0.104 17598 8711 1 18 . 1 1 93 93 ARG N N 93 124.938 124.938 122.151 2.787 17598 8712 1 18 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.735 0.329 17598 8713 1 18 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.650 0.044 17598 8714 1 18 . 1 1 93 93 ARG CB C 93 34.161 34.161 31.960 2.200 17598 8715 1 18 . 1 1 93 93 ARG H H 93 9.283 9.283 8.620 0.663 17598 8716 1 18 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.863 0.380 17598 8717 1 18 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.897 -0.644 17598 8718 1 18 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.381 1.193 17598 8719 1 18 . 1 1 95 95 ARG N N 95 120.416 120.416 125.331 -4.915 17598 8720 1 18 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.629 0.067 17598 8721 1 18 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.713 -0.090 17598 8722 1 18 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.472 -0.080 17598 8723 1 18 . 1 1 95 95 ARG H H 95 9.115 9.115 9.029 0.086 17598 8724 1 18 . 1 1 96 96 SER N N 96 115.719 115.719 118.229 -2.510 17598 8725 1 18 . 1 1 96 96 SER HA H 96 5.781 5.781 5.304 0.477 17598 8726 1 18 . 1 1 96 96 SER CA C 96 56.824 56.824 57.193 -0.368 17598 8727 1 18 . 1 1 96 96 SER CB C 96 65.906 65.906 64.185 1.721 17598 8728 1 18 . 1 1 96 96 SER H H 96 8.676 8.676 8.654 0.022 17598 8729 1 18 . 1 1 97 97 LEU N N 97 126.188 126.188 128.103 -1.915 17598 8730 1 18 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.662 0.211 17598 8731 1 18 . 1 1 97 97 LEU CA C 97 55.034 55.034 54.175 0.859 17598 8732 1 18 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.023 1.908 17598 8733 1 18 . 1 1 97 97 LEU H H 97 9.030 9.030 9.052 -0.022 17598 8734 1 18 . 1 1 98 98 THR N N 98 113.687 113.687 114.631 -0.944 17598 8735 1 18 . 1 1 98 98 THR HA H 98 4.869 4.869 4.571 0.298 17598 8736 1 18 . 1 1 98 98 THR CA C 98 60.265 60.265 61.072 -0.807 17598 8737 1 18 . 1 1 98 98 THR CB C 98 70.650 70.650 70.287 0.363 17598 8738 1 18 . 1 1 98 98 THR H H 98 8.410 8.410 8.129 0.281 17598 8739 1 18 . 1 1 99 99 LEU N N 99 126.344 126.344 123.070 3.274 17598 8740 1 18 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.058 0.027 17598 8741 1 18 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.453 -0.682 17598 8742 1 18 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.750 0.303 17598 8743 1 18 . 1 1 99 99 LEU H H 99 7.806 7.806 8.065 -0.259 17598 8744 1 18 . 1 1 100 100 LYS N N 100 128.063 128.063 124.810 3.253 17598 8745 1 18 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.067 0.328 17598 8746 1 18 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.851 -1.936 17598 8747 1 18 . 1 1 100 100 LYS CB C 100 33.060 33.060 31.967 1.093 17598 8748 1 18 . 1 1 100 100 LYS H H 100 8.816 8.816 8.279 0.537 17598 8749 1 18 . 1 1 101 101 GLU N N 101 123.531 123.531 123.614 -0.083 17598 8750 1 18 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.558 -0.569 17598 8751 1 18 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.309 0.661 17598 8752 1 18 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.571 0.018 17598 8753 1 18 . 1 1 101 101 GLU H H 101 8.323 8.323 8.355 -0.032 17598 8754 1 18 . 1 1 102 102 ARG N N 102 122.965 122.965 121.338 1.627 17598 8755 1 18 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.263 0.104 17598 8756 1 18 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.830 -1.056 17598 8757 1 18 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.400 0.159 17598 8758 1 18 . 1 1 102 102 ARG H H 102 8.414 8.414 8.496 -0.082 17598 8759 1 18 . 1 1 103 103 SER N N 103 117.435 117.435 117.340 0.095 17598 8760 1 18 . 1 1 103 103 SER HA H 103 4.431 4.431 4.564 -0.133 17598 8761 1 18 . 1 1 103 103 SER CA C 103 58.079 58.079 57.279 0.800 17598 8762 1 18 . 1 1 103 103 SER CB C 103 63.554 63.554 64.248 -0.694 17598 8763 1 18 . 1 1 103 103 SER H H 103 8.423 8.423 8.286 0.137 17598 8764 1 18 . 1 1 104 104 LEU N N 104 124.423 124.423 118.359 6.064 17598 8765 1 18 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.772 -0.448 17598 8766 1 18 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.032 1.092 17598 8767 1 18 . 1 1 104 104 LEU CB C 104 41.989 41.989 44.474 -2.485 17598 8768 1 18 . 1 1 104 104 LEU H H 104 8.369 8.369 8.053 0.316 17598 8769 1 18 . 1 1 105 105 GLU N N 105 120.875 120.875 120.088 0.787 17598 8770 1 18 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.571 -0.557 17598 8771 1 18 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.720 2.225 17598 8772 1 18 . 1 1 105 105 GLU CB C 105 29.846 29.846 29.291 0.555 17598 8773 1 18 . 1 1 105 105 GLU H H 105 8.249 8.249 8.639 -0.390 17598 8774 1 18 . 1 1 106 106 HIS N N 106 120.719 120.719 117.408 3.311 17598 8775 1 18 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.187 1.421 17598 8776 1 18 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.468 1.980 17598 8777 1 18 . 1 1 106 106 HIS H H 106 8.274 8.274 7.445 0.829 17598 8778 1 18 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.946 -0.360 17598 8779 1 18 . 1 1 107 107 HIS CA C 107 55.804 55.804 56.056 -0.252 17598 8780 1 18 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.908 -0.484 17598 8781 1 18 . 1 1 108 108 HIS N N 108 125.843 125.843 121.401 4.442 17598 8782 1 18 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.297 1.808 17598 8783 1 18 . 1 1 108 108 HIS CB C 108 30.424 30.424 31.924 -1.500 17598 8784 1 18 . 1 1 108 108 HIS H H 108 7.941 7.941 8.777 -0.836 17598 8785 1 19 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.742 -0.367 17598 8786 1 19 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.568 0.782 17598 8787 1 19 . 1 1 2 2 LEU CB C 2 42.048 42.048 43.516 -1.468 17598 8788 1 19 . 1 1 3 3 THR N N 3 114.937 114.937 113.391 1.546 17598 8789 1 19 . 1 1 3 3 THR HA H 3 4.205 4.205 4.099 0.106 17598 8790 1 19 . 1 1 3 3 THR CA C 3 62.493 62.493 62.624 -0.132 17598 8791 1 19 . 1 1 3 3 THR CB C 3 69.391 69.391 68.478 0.913 17598 8792 1 19 . 1 1 3 3 THR H H 3 8.316 8.316 8.515 -0.199 17598 8793 1 19 . 1 1 4 4 VAL N N 4 122.438 122.438 119.018 3.420 17598 8794 1 19 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.124 -0.056 17598 8795 1 19 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.226 0.267 17598 8796 1 19 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.364 -0.006 17598 8797 1 19 . 1 1 4 4 VAL H H 4 7.953 7.953 7.868 0.085 17598 8798 1 19 . 1 1 5 5 ARG N N 5 124.781 124.781 122.612 2.169 17598 8799 1 19 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.200 0.150 17598 8800 1 19 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.263 -0.421 17598 8801 1 19 . 1 1 5 5 ARG CB C 5 30.643 30.643 29.167 1.476 17598 8802 1 19 . 1 1 5 5 ARG H H 5 8.319 8.319 8.121 0.198 17598 8803 1 19 . 1 1 6 6 GLN N N 6 121.656 121.656 124.341 -2.685 17598 8804 1 19 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.451 0.391 17598 8805 1 19 . 1 1 6 6 GLN CB C 6 29.189 29.189 29.536 -0.347 17598 8806 1 19 . 1 1 6 6 GLN H H 6 8.373 8.373 8.467 -0.094 17598 8807 1 19 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.467 -0.658 17598 8808 1 19 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.133 -1.301 17598 8809 1 19 . 1 1 7 7 LYS CB C 7 30.063 30.063 32.333 -2.270 17598 8810 1 19 . 1 1 8 8 GLY CA C 8 44.729 44.729 44.998 -0.269 17598 8811 1 19 . 1 1 8 8 GLY H H 8 8.407 8.407 8.738 -0.331 17598 8812 1 19 . 1 1 9 9 ASN N N 9 118.812 118.812 117.857 0.955 17598 8813 1 19 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.867 -0.151 17598 8814 1 19 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.171 0.712 17598 8815 1 19 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.815 -0.923 17598 8816 1 19 . 1 1 9 9 ASN H H 9 8.337 8.337 8.152 0.185 17598 8817 1 19 . 1 1 10 10 LYS N N 10 122.131 122.131 120.503 1.628 17598 8818 1 19 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.302 0.030 17598 8819 1 19 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.889 -0.919 17598 8820 1 19 . 1 1 10 10 LYS CB C 10 32.574 32.574 32.945 -0.371 17598 8821 1 19 . 1 1 10 10 LYS H H 10 8.253 8.253 8.327 -0.074 17598 8822 1 19 . 1 1 11 11 VAL N N 11 123.026 123.026 114.471 8.555 17598 8823 1 19 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.518 -0.382 17598 8824 1 19 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.736 1.270 17598 8825 1 19 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.367 -1.545 17598 8826 1 19 . 1 1 11 11 VAL H H 11 8.428 8.428 8.182 0.246 17598 8827 1 19 . 1 1 12 12 ILE N N 12 127.174 127.174 119.336 7.838 17598 8828 1 19 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.885 -0.781 17598 8829 1 19 . 1 1 12 12 ILE CA C 12 60.002 60.002 59.826 0.176 17598 8830 1 19 . 1 1 12 12 ILE CB C 12 37.733 37.733 41.488 -3.755 17598 8831 1 19 . 1 1 12 12 ILE H H 12 8.345 8.345 8.502 -0.157 17598 8832 1 19 . 1 1 13 13 LYS N N 13 122.906 122.906 118.155 4.751 17598 8833 1 19 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.709 -0.892 17598 8834 1 19 . 1 1 13 13 LYS CA C 13 53.957 53.957 53.488 0.469 17598 8835 1 19 . 1 1 13 13 LYS CB C 13 32.517 32.517 33.108 -0.591 17598 8836 1 19 . 1 1 13 13 LYS H H 13 7.662 7.662 8.151 -0.489 17598 8837 1 19 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.222 -0.297 17598 8838 1 19 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.547 -0.010 17598 8839 1 19 . 1 1 14 14 PRO CB C 14 31.593 31.593 32.001 -0.408 17598 8840 1 19 . 1 1 15 15 ASP N N 15 121.969 121.969 120.705 1.264 17598 8841 1 19 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.769 -0.246 17598 8842 1 19 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.641 -0.667 17598 8843 1 19 . 1 1 15 15 ASP CB C 15 40.470 40.470 42.234 -1.764 17598 8844 1 19 . 1 1 15 15 ASP H H 15 8.607 8.607 8.397 0.210 17598 8845 1 19 . 1 1 16 16 GLU N N 16 126.813 126.813 123.477 3.336 17598 8846 1 19 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.344 -0.152 17598 8847 1 19 . 1 1 16 16 GLU CA C 16 57.651 57.651 56.301 1.350 17598 8848 1 19 . 1 1 16 16 GLU CB C 16 29.207 29.207 28.652 0.555 17598 8849 1 19 . 1 1 16 16 GLU H H 16 9.032 9.032 8.664 0.368 17598 8850 1 19 . 1 1 17 17 THR N N 17 110.875 110.875 110.059 0.816 17598 8851 1 19 . 1 1 17 17 THR HA H 17 4.313 4.313 4.406 -0.093 17598 8852 1 19 . 1 1 17 17 THR CA C 17 61.660 61.660 62.070 -0.410 17598 8853 1 19 . 1 1 17 17 THR CB C 17 69.392 69.392 69.779 -0.387 17598 8854 1 19 . 1 1 17 17 THR H H 17 8.453 8.453 7.694 0.759 17598 8855 1 19 . 1 1 18 18 ARG N N 18 124.313 124.313 120.932 3.381 17598 8856 1 19 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.125 -0.018 17598 8857 1 19 . 1 1 18 18 ARG CA C 18 55.933 55.933 58.395 -2.462 17598 8858 1 19 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.502 0.519 17598 8859 1 19 . 1 1 18 18 ARG H H 18 6.969 6.969 8.158 -1.189 17598 8860 1 19 . 1 1 19 19 VAL N N 19 127.750 127.750 116.389 11.361 17598 8861 1 19 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.152 -0.359 17598 8862 1 19 . 1 1 19 19 VAL CA C 19 62.530 62.530 60.983 1.547 17598 8863 1 19 . 1 1 19 19 VAL CB C 19 31.021 31.021 34.407 -3.385 17598 8864 1 19 . 1 1 19 19 VAL H H 19 8.494 8.494 7.573 0.921 17598 8865 1 19 . 1 1 20 20 LYS N N 20 129.005 129.005 125.971 3.034 17598 8866 1 19 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.577 -0.495 17598 8867 1 19 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.626 1.171 17598 8868 1 19 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.251 0.775 17598 8869 1 19 . 1 1 20 20 LYS H H 20 8.406 8.406 8.337 0.069 17598 8870 1 19 . 1 1 21 21 GLN N N 21 122.125 122.125 121.776 0.349 17598 8871 1 19 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.631 -0.200 17598 8872 1 19 . 1 1 21 21 GLN CA C 21 56.697 56.697 55.136 1.560 17598 8873 1 19 . 1 1 21 21 GLN CB C 21 29.207 29.207 30.157 -0.950 17598 8874 1 19 . 1 1 21 21 GLN H H 21 9.783 9.783 8.410 1.373 17598 8875 1 19 . 1 1 22 22 PHE N N 22 126.785 126.785 119.758 7.027 17598 8876 1 19 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.452 -0.160 17598 8877 1 19 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.001 1.905 17598 8878 1 19 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.467 -0.362 17598 8879 1 19 . 1 1 22 22 PHE H H 22 9.214 9.214 8.633 0.581 17598 8880 1 19 . 1 1 23 23 LEU N N 23 115.846 115.846 118.602 -2.756 17598 8881 1 19 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.073 0.047 17598 8882 1 19 . 1 1 23 23 LEU CA C 23 56.358 56.358 55.478 0.880 17598 8883 1 19 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.526 -0.429 17598 8884 1 19 . 1 1 23 23 LEU H H 23 9.173 9.173 8.295 0.878 17598 8885 1 19 . 1 1 24 24 GLU N N 24 117.032 117.032 117.173 -0.141 17598 8886 1 19 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.255 0.556 17598 8887 1 19 . 1 1 24 24 GLU CA C 24 56.655 56.655 57.032 -0.377 17598 8888 1 19 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.264 0.034 17598 8889 1 19 . 1 1 24 24 GLU H H 24 7.789 7.789 8.267 -0.478 17598 8890 1 19 . 1 1 25 25 GLY N N 25 105.050 105.050 106.510 -1.460 17598 8891 1 19 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.167 0.240 17598 8892 1 19 . 1 1 25 25 GLY H H 25 7.640 7.640 7.178 0.462 17598 8893 1 19 . 1 1 26 26 PHE N N 26 115.467 115.467 118.726 -3.259 17598 8894 1 19 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.612 -0.108 17598 8895 1 19 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.439 0.088 17598 8896 1 19 . 1 1 26 26 PHE CB C 26 43.117 43.117 41.454 1.663 17598 8897 1 19 . 1 1 26 26 PHE H H 26 6.508 6.508 7.157 -0.649 17598 8898 1 19 . 1 1 27 27 ASN N N 27 118.006 118.006 120.024 -2.018 17598 8899 1 19 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.588 -0.100 17598 8900 1 19 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.040 -1.011 17598 8901 1 19 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.198 -1.480 17598 8902 1 19 . 1 1 27 27 ASN H H 27 8.788 8.788 8.575 0.213 17598 8903 1 19 . 1 1 28 28 ILE N N 28 129.126 129.126 122.777 6.349 17598 8904 1 19 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.641 0.047 17598 8905 1 19 . 1 1 28 28 ILE CA C 28 63.907 63.907 63.047 0.860 17598 8906 1 19 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.176 0.867 17598 8907 1 19 . 1 1 28 28 ILE H H 28 9.557 9.557 8.213 1.344 17598 8908 1 19 . 1 1 29 29 GLU N N 29 120.068 120.068 116.108 3.960 17598 8909 1 19 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.041 0.188 17598 8910 1 19 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.457 -0.110 17598 8911 1 19 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.659 -0.530 17598 8912 1 19 . 1 1 29 29 GLU H H 29 9.064 9.064 8.567 0.497 17598 8913 1 19 . 1 1 30 30 THR N N 30 109.404 109.404 111.975 -2.571 17598 8914 1 19 . 1 1 30 30 THR HA H 30 4.303 4.303 4.080 0.223 17598 8915 1 19 . 1 1 30 30 THR CA C 30 62.079 62.079 63.923 -1.844 17598 8916 1 19 . 1 1 30 30 THR CB C 30 69.583 69.583 69.007 0.576 17598 8917 1 19 . 1 1 30 30 THR H H 30 7.789 7.789 7.675 0.114 17598 8918 1 19 . 1 1 31 31 PHE N N 31 120.250 120.250 120.978 -0.728 17598 8919 1 19 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.988 0.438 17598 8920 1 19 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.236 0.220 17598 8921 1 19 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.423 -0.430 17598 8922 1 19 . 1 1 31 31 PHE H H 31 7.236 7.236 7.003 0.233 17598 8923 1 19 . 1 1 32 32 GLU N N 32 118.531 118.531 118.845 -0.314 17598 8924 1 19 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.888 -0.101 17598 8925 1 19 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.555 -0.626 17598 8926 1 19 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.556 0.137 17598 8927 1 19 . 1 1 32 32 GLU H H 32 8.644 8.644 9.107 -0.463 17598 8928 1 19 . 1 1 33 33 MET N N 33 127.438 127.438 126.115 1.323 17598 8929 1 19 . 1 1 33 33 MET HA H 33 4.643 4.643 4.241 0.402 17598 8930 1 19 . 1 1 33 33 MET CA C 33 56.411 56.411 57.177 -0.766 17598 8931 1 19 . 1 1 33 33 MET CB C 33 32.050 32.050 32.509 -0.459 17598 8932 1 19 . 1 1 33 33 MET H H 33 9.679 9.679 9.126 0.553 17598 8933 1 19 . 1 1 34 34 VAL N N 34 119.176 119.176 126.275 -7.099 17598 8934 1 19 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.429 0.345 17598 8935 1 19 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.675 -0.679 17598 8936 1 19 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.431 -0.582 17598 8937 1 19 . 1 1 34 34 VAL H H 34 8.897 8.897 8.556 0.341 17598 8938 1 19 . 1 1 35 35 GLY N N 35 108.249 108.249 107.518 0.731 17598 8939 1 19 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.665 -0.481 17598 8940 1 19 . 1 1 35 35 GLY H H 35 7.589 7.589 8.043 -0.454 17598 8941 1 19 . 1 1 36 36 THR N N 36 110.562 110.562 112.604 -2.042 17598 8942 1 19 . 1 1 36 36 THR HA H 36 5.088 5.088 4.565 0.523 17598 8943 1 19 . 1 1 36 36 THR CA C 36 60.060 60.060 60.546 -0.486 17598 8944 1 19 . 1 1 36 36 THR CB C 36 72.335 72.335 71.752 0.583 17598 8945 1 19 . 1 1 36 36 THR H H 36 8.300 8.300 8.049 0.251 17598 8946 1 19 . 1 1 37 37 LEU N N 37 122.334 122.334 123.543 -1.209 17598 8947 1 19 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.874 -0.169 17598 8948 1 19 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.555 0.966 17598 8949 1 19 . 1 1 37 37 LEU CB C 37 46.315 46.315 44.803 1.512 17598 8950 1 19 . 1 1 37 37 LEU H H 37 8.886 8.886 8.772 0.114 17598 8951 1 19 . 1 1 38 38 SER N N 38 119.156 119.156 119.615 -0.459 17598 8952 1 19 . 1 1 38 38 SER HA H 38 5.489 5.489 5.331 0.158 17598 8953 1 19 . 1 1 38 38 SER CA C 38 56.819 56.819 57.308 -0.489 17598 8954 1 19 . 1 1 38 38 SER CB C 38 64.655 64.655 64.351 0.304 17598 8955 1 19 . 1 1 38 38 SER H H 38 8.694 8.694 8.527 0.167 17598 8956 1 19 . 1 1 39 39 ASN N N 39 124.156 124.156 122.512 1.644 17598 8957 1 19 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.241 -1.437 17598 8958 1 19 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.627 -0.763 17598 8959 1 19 . 1 1 39 39 ASN H H 39 9.068 9.068 8.745 0.323 17598 8960 1 19 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.112 0.055 17598 8961 1 19 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.679 0.047 17598 8962 1 19 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.186 0.025 17598 8963 1 19 . 1 1 41 41 GLN N N 41 114.937 114.937 117.368 -2.431 17598 8964 1 19 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.282 0.068 17598 8965 1 19 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.604 0.091 17598 8966 1 19 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.653 -0.665 17598 8967 1 19 . 1 1 41 41 GLN H H 41 8.399 8.399 8.188 0.211 17598 8968 1 19 . 1 1 42 42 GLY N N 42 108.502 108.502 106.345 2.157 17598 8969 1 19 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.490 0.081 17598 8970 1 19 . 1 1 42 42 GLY H H 42 7.892 7.892 7.634 0.258 17598 8971 1 19 . 1 1 43 43 THR N N 43 116.344 116.344 117.175 -0.831 17598 8972 1 19 . 1 1 43 43 THR HA H 43 3.749 3.749 5.313 -1.564 17598 8973 1 19 . 1 1 43 43 THR CA C 43 69.834 69.834 61.569 8.265 17598 8974 1 19 . 1 1 43 43 THR CB C 43 70.316 70.316 69.671 0.645 17598 8975 1 19 . 1 1 43 43 THR H H 43 7.762 7.762 7.894 -0.132 17598 8976 1 19 . 1 1 44 44 PHE N N 44 123.688 123.688 125.341 -1.653 17598 8977 1 19 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.723 0.383 17598 8978 1 19 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.245 -0.698 17598 8979 1 19 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.060 -0.155 17598 8980 1 19 . 1 1 44 44 PHE H H 44 9.283 9.283 9.042 0.241 17598 8981 1 19 . 1 1 45 45 ALA N N 45 122.438 122.438 122.336 0.102 17598 8982 1 19 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.851 0.100 17598 8983 1 19 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.684 -0.574 17598 8984 1 19 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.247 0.390 17598 8985 1 19 . 1 1 45 45 ALA H H 45 9.579 9.579 9.401 0.178 17598 8986 1 19 . 1 1 46 46 LEU N N 46 121.500 121.500 125.401 -3.901 17598 8987 1 19 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.100 0.043 17598 8988 1 19 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.880 -0.898 17598 8989 1 19 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.146 -0.728 17598 8990 1 19 . 1 1 46 46 LEU H H 46 8.472 8.472 8.869 -0.397 17598 8991 1 19 . 1 1 47 47 VAL N N 47 122.125 122.125 123.153 -1.028 17598 8992 1 19 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.572 0.343 17598 8993 1 19 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.119 0.304 17598 8994 1 19 . 1 1 47 47 VAL CB C 47 34.828 34.828 35.377 -0.549 17598 8995 1 19 . 1 1 47 47 VAL H H 47 9.175 9.175 8.909 0.266 17598 8996 1 19 . 1 1 48 48 LYS N N 48 129.000 129.000 124.128 4.872 17598 8997 1 19 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.702 0.496 17598 8998 1 19 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.344 0.382 17598 8999 1 19 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.921 -0.888 17598 9000 1 19 . 1 1 48 48 LYS H H 48 9.675 9.675 8.685 0.990 17598 9001 1 19 . 1 1 49 49 GLY N N 49 113.844 113.844 110.424 3.420 17598 9002 1 19 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.875 -0.999 17598 9003 1 19 . 1 1 49 49 GLY H H 49 8.792 8.792 8.584 0.208 17598 9004 1 19 . 1 1 50 50 ALA N N 50 123.844 123.844 122.024 1.820 17598 9005 1 19 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.570 -0.118 17598 9006 1 19 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.993 -0.011 17598 9007 1 19 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.293 -0.343 17598 9008 1 19 . 1 1 50 50 ALA H H 50 8.963 8.963 8.860 0.103 17598 9009 1 19 . 1 1 51 51 GLY N N 51 105.406 105.406 103.372 2.034 17598 9010 1 19 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.288 0.256 17598 9011 1 19 . 1 1 51 51 GLY H H 51 8.582 8.582 8.383 0.199 17598 9012 1 19 . 1 1 52 52 GLY N N 52 108.644 108.644 106.608 2.036 17598 9013 1 19 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.054 0.094 17598 9014 1 19 . 1 1 52 52 GLY H H 52 7.692 7.692 7.906 -0.214 17598 9015 1 19 . 1 1 53 53 VAL N N 53 121.656 121.656 116.918 4.738 17598 9016 1 19 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.567 0.020 17598 9017 1 19 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.420 1.325 17598 9018 1 19 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.466 -1.499 17598 9019 1 19 . 1 1 53 53 VAL H H 53 7.928 7.928 8.278 -0.350 17598 9020 1 19 . 1 1 54 54 HIS N N 54 128.219 128.219 123.919 4.300 17598 9021 1 19 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.011 -0.388 17598 9022 1 19 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.894 0.972 17598 9023 1 19 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.047 1.256 17598 9024 1 19 . 1 1 54 54 HIS H H 54 9.188 9.188 8.846 0.342 17598 9025 1 19 . 1 1 55 55 ARG N N 55 122.125 122.125 122.277 -0.152 17598 9026 1 19 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.238 -0.211 17598 9027 1 19 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.981 0.303 17598 9028 1 19 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.354 -1.597 17598 9029 1 19 . 1 1 55 55 ARG H H 55 8.816 8.816 8.568 0.248 17598 9030 1 19 . 1 1 56 56 VAL N N 56 124.229 124.229 117.485 6.744 17598 9031 1 19 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.963 -0.255 17598 9032 1 19 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.060 0.622 17598 9033 1 19 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.522 -1.055 17598 9034 1 19 . 1 1 56 56 VAL H H 56 9.444 9.444 8.944 0.500 17598 9035 1 19 . 1 1 57 57 ARG N N 57 124.554 124.554 121.206 3.348 17598 9036 1 19 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.710 0.113 17598 9037 1 19 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.913 -0.589 17598 9038 1 19 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.300 1.685 17598 9039 1 19 . 1 1 57 57 ARG H H 57 9.124 9.124 8.728 0.396 17598 9040 1 19 . 1 1 58 58 VAL N N 58 120.250 120.250 120.670 -0.420 17598 9041 1 19 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.624 -0.269 17598 9042 1 19 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.117 1.329 17598 9043 1 19 . 1 1 58 58 VAL CB C 58 30.932 30.932 29.754 1.178 17598 9044 1 19 . 1 1 58 58 VAL H H 58 8.327 8.327 8.429 -0.102 17598 9045 1 19 . 1 1 59 59 GLY N N 59 117.437 117.437 116.276 1.161 17598 9046 1 19 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.500 0.075 17598 9047 1 19 . 1 1 59 59 GLY H H 59 9.097 9.097 8.590 0.507 17598 9048 1 19 . 1 1 60 60 ASP N N 60 121.031 121.031 122.061 -1.030 17598 9049 1 19 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.483 0.468 17598 9050 1 19 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.339 -0.997 17598 9051 1 19 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.674 0.084 17598 9052 1 19 . 1 1 60 60 ASP H H 60 7.800 7.800 7.876 -0.076 17598 9053 1 19 . 1 1 61 61 TYR N N 61 115.406 115.406 116.453 -1.047 17598 9054 1 19 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.510 0.080 17598 9055 1 19 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.617 0.175 17598 9056 1 19 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.252 1.318 17598 9057 1 19 . 1 1 61 61 TYR H H 61 7.834 7.834 8.392 -0.558 17598 9058 1 19 . 1 1 62 62 LEU N N 62 117.750 117.750 117.906 -0.156 17598 9059 1 19 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.882 -0.581 17598 9060 1 19 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.071 -0.074 17598 9061 1 19 . 1 1 62 62 LEU CB C 62 46.770 46.770 45.236 1.534 17598 9062 1 19 . 1 1 62 62 LEU H H 62 9.362 9.362 8.598 0.764 17598 9063 1 19 . 1 1 63 63 GLY N N 63 107.303 107.303 106.750 0.553 17598 9064 1 19 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.093 -0.805 17598 9065 1 19 . 1 1 63 63 GLY H H 63 7.945 7.945 8.059 -0.114 17598 9066 1 19 . 1 1 64 64 ARG N N 64 113.687 113.687 121.074 -7.387 17598 9067 1 19 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.014 0.427 17598 9068 1 19 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.790 -0.521 17598 9069 1 19 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.363 0.383 17598 9070 1 19 . 1 1 64 64 ARG H H 64 8.424 8.424 8.493 -0.069 17598 9071 1 19 . 1 1 65 65 ASN N N 65 121.626 121.626 116.262 5.364 17598 9072 1 19 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.747 0.752 17598 9073 1 19 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.816 0.540 17598 9074 1 19 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.191 1.325 17598 9075 1 19 . 1 1 65 65 ASN H H 65 9.529 9.529 7.915 1.614 17598 9076 1 19 . 1 1 66 66 ASP N N 66 116.656 116.656 117.346 -0.690 17598 9077 1 19 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.295 -0.396 17598 9078 1 19 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.379 -0.591 17598 9079 1 19 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.831 0.589 17598 9080 1 19 . 1 1 66 66 ASP H H 66 9.397 9.397 7.846 1.551 17598 9081 1 19 . 1 1 67 67 GLY N N 67 100.587 100.587 105.945 -5.358 17598 9082 1 19 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.364 2.647 17598 9083 1 19 . 1 1 67 67 GLY H H 67 7.424 7.424 8.225 -0.801 17598 9084 1 19 . 1 1 68 68 LYS N N 68 130.952 130.952 128.365 2.587 17598 9085 1 19 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.842 -0.994 17598 9086 1 19 . 1 1 68 68 LYS CA C 68 54.979 54.979 54.904 0.075 17598 9087 1 19 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.743 -0.286 17598 9088 1 19 . 1 1 68 68 LYS H H 68 8.121 8.121 8.854 -0.733 17598 9089 1 19 . 1 1 69 69 VAL N N 69 126.813 126.813 127.573 -0.760 17598 9090 1 19 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.785 0.327 17598 9091 1 19 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.043 -0.760 17598 9092 1 19 . 1 1 69 69 VAL CB C 69 30.734 30.734 31.543 -0.809 17598 9093 1 19 . 1 1 69 69 VAL H H 69 9.113 9.113 8.520 0.593 17598 9094 1 19 . 1 1 70 70 VAL N N 70 122.594 122.594 123.194 -0.600 17598 9095 1 19 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.513 0.092 17598 9096 1 19 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.937 -1.040 17598 9097 1 19 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.689 -1.046 17598 9098 1 19 . 1 1 70 70 VAL H H 70 8.968 8.968 8.692 0.276 17598 9099 1 19 . 1 1 71 71 GLY N N 71 110.562 110.562 109.514 1.048 17598 9100 1 19 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.436 1.763 17598 9101 1 19 . 1 1 71 71 GLY H H 71 7.638 7.638 8.102 -0.464 17598 9102 1 19 . 1 1 72 72 ILE N N 72 123.063 123.063 121.688 1.375 17598 9103 1 19 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.255 0.204 17598 9104 1 19 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.607 0.767 17598 9105 1 19 . 1 1 72 72 ILE CB C 72 42.381 42.381 39.913 2.468 17598 9106 1 19 . 1 1 72 72 ILE H H 72 8.404 8.404 8.404 0.000 17598 9107 1 19 . 1 1 73 73 SER N N 73 123.531 123.531 122.153 1.378 17598 9108 1 19 . 1 1 73 73 SER HA H 73 4.723 4.723 4.862 -0.139 17598 9109 1 19 . 1 1 73 73 SER CA C 73 56.220 56.220 56.495 -0.274 17598 9110 1 19 . 1 1 73 73 SER CB C 73 65.450 65.450 64.947 0.503 17598 9111 1 19 . 1 1 73 73 SER H H 73 8.801 8.801 8.630 0.171 17598 9112 1 19 . 1 1 74 74 GLU N N 74 116.656 116.656 119.431 -2.775 17598 9113 1 19 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.365 -0.061 17598 9114 1 19 . 1 1 74 74 GLU CA C 74 55.730 55.730 57.742 -2.013 17598 9115 1 19 . 1 1 74 74 GLU CB C 74 29.102 29.102 29.871 -0.769 17598 9116 1 19 . 1 1 74 74 GLU H H 74 8.537 8.537 8.781 -0.244 17598 9117 1 19 . 1 1 75 75 GLY N N 75 102.989 102.989 106.015 -3.026 17598 9118 1 19 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.839 0.179 17598 9119 1 19 . 1 1 75 75 GLY H H 75 8.124 8.124 8.350 -0.226 17598 9120 1 19 . 1 1 76 76 LYS N N 76 120.094 120.094 116.823 3.271 17598 9121 1 19 . 1 1 76 76 LYS HA H 76 5.261 5.261 4.961 0.300 17598 9122 1 19 . 1 1 76 76 LYS CA C 76 56.601 56.601 54.920 1.681 17598 9123 1 19 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.342 1.069 17598 9124 1 19 . 1 1 76 76 LYS H H 76 7.546 7.546 7.322 0.224 17598 9125 1 19 . 1 1 77 77 ILE N N 77 121.344 121.344 119.393 1.951 17598 9126 1 19 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.351 0.199 17598 9127 1 19 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.706 -0.859 17598 9128 1 19 . 1 1 77 77 ILE CB C 77 41.616 41.616 42.154 -0.538 17598 9129 1 19 . 1 1 77 77 ILE H H 77 8.776 8.776 8.469 0.307 17598 9130 1 19 . 1 1 78 78 ASP N N 78 126.813 126.813 129.244 -2.431 17598 9131 1 19 . 1 1 78 78 ASP HA H 78 5.201 5.201 4.875 0.326 17598 9132 1 19 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.925 -0.805 17598 9133 1 19 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.850 1.102 17598 9134 1 19 . 1 1 78 78 ASP H H 78 8.964 8.964 8.427 0.537 17598 9135 1 19 . 1 1 79 79 VAL N N 79 124.156 124.156 119.230 4.926 17598 9136 1 19 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.021 0.158 17598 9137 1 19 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.616 -0.342 17598 9138 1 19 . 1 1 79 79 VAL CB C 79 36.079 36.079 35.755 0.324 17598 9139 1 19 . 1 1 79 79 VAL H H 79 9.060 9.060 9.063 -0.003 17598 9140 1 19 . 1 1 80 80 ILE N N 80 126.656 126.656 124.361 2.295 17598 9141 1 19 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.606 -0.111 17598 9142 1 19 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.513 1.670 17598 9143 1 19 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.384 1.903 17598 9144 1 19 . 1 1 80 80 ILE H H 80 8.812 8.812 9.062 -0.250 17598 9145 1 19 . 1 1 81 81 GLU N N 81 126.656 126.656 127.971 -1.315 17598 9146 1 19 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.976 -0.354 17598 9147 1 19 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.624 0.450 17598 9148 1 19 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.272 -0.629 17598 9149 1 19 . 1 1 81 81 GLU H H 81 8.283 8.283 9.147 -0.864 17598 9150 1 19 . 1 1 82 82 ILE N N 82 120.094 120.094 122.082 -1.988 17598 9151 1 19 . 1 1 82 82 ILE HA H 82 5.033 5.033 5.268 -0.235 17598 9152 1 19 . 1 1 82 82 ILE CA C 82 60.228 60.228 58.687 1.541 17598 9153 1 19 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.423 0.614 17598 9154 1 19 . 1 1 82 82 ILE H H 82 8.252 8.252 8.671 -0.419 17598 9155 1 19 . 1 1 83 83 VAL N N 83 120.094 120.094 120.143 -0.049 17598 9156 1 19 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.017 0.205 17598 9157 1 19 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.837 -0.614 17598 9158 1 19 . 1 1 83 83 VAL CB C 83 33.593 33.593 33.590 0.003 17598 9159 1 19 . 1 1 83 83 VAL H H 83 9.201 9.201 9.050 0.151 17598 9160 1 19 . 1 1 84 84 PRO HA H 84 4.375 4.375 3.939 0.436 17598 9161 1 19 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.419 -0.377 17598 9162 1 19 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.206 -0.349 17598 9163 1 19 . 1 1 85 85 ASP N N 85 120.250 120.250 121.529 -1.279 17598 9164 1 19 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.534 -0.029 17598 9165 1 19 . 1 1 85 85 ASP CA C 85 52.497 52.497 55.221 -2.724 17598 9166 1 19 . 1 1 85 85 ASP CB C 85 41.234 41.234 41.964 -0.730 17598 9167 1 19 . 1 1 85 85 ASP H H 85 8.083 8.083 8.487 -0.404 17598 9168 1 19 . 1 1 86 86 GLY N N 86 109.156 109.156 107.575 1.581 17598 9169 1 19 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.091 -0.039 17598 9170 1 19 . 1 1 86 86 GLY H H 86 8.160 8.160 8.289 -0.129 17598 9171 1 19 . 1 1 87 87 GLU N N 87 120.719 120.719 121.447 -0.728 17598 9172 1 19 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.408 0.033 17598 9173 1 19 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.400 -1.421 17598 9174 1 19 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.289 -0.127 17598 9175 1 19 . 1 1 87 87 GLU H H 87 8.663 8.663 8.606 0.057 17598 9176 1 19 . 1 1 88 88 GLY N N 88 109.312 109.312 107.101 2.211 17598 9177 1 19 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.689 0.076 17598 9178 1 19 . 1 1 88 88 GLY H H 88 8.417 8.417 8.098 0.319 17598 9179 1 19 . 1 1 89 89 ASN N N 89 119.625 119.625 117.983 1.642 17598 9180 1 19 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.750 0.247 17598 9181 1 19 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.165 -1.195 17598 9182 1 19 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.310 0.778 17598 9183 1 19 . 1 1 89 89 ASN H H 89 8.331 8.331 7.701 0.630 17598 9184 1 19 . 1 1 90 90 TRP N N 90 121.188 121.188 119.578 1.610 17598 9185 1 19 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.153 0.008 17598 9186 1 19 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.962 -0.192 17598 9187 1 19 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.422 0.839 17598 9188 1 19 . 1 1 90 90 TRP H H 90 8.538 8.538 8.205 0.333 17598 9189 1 19 . 1 1 91 91 LEU N N 91 121.031 121.031 118.455 2.576 17598 9190 1 19 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.863 -0.048 17598 9191 1 19 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.433 -0.077 17598 9192 1 19 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.377 -1.134 17598 9193 1 19 . 1 1 91 91 LEU H H 91 9.518 9.518 9.006 0.512 17598 9194 1 19 . 1 1 92 92 GLU N N 92 119.156 119.156 120.955 -1.799 17598 9195 1 19 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.902 0.150 17598 9196 1 19 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.133 -0.773 17598 9197 1 19 . 1 1 92 92 GLU CB C 92 31.402 31.402 31.046 0.357 17598 9198 1 19 . 1 1 92 92 GLU H H 92 8.490 8.490 8.800 -0.310 17598 9199 1 19 . 1 1 93 93 ARG N N 93 124.938 124.938 120.272 4.666 17598 9200 1 19 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.803 0.261 17598 9201 1 19 . 1 1 93 93 ARG CA C 93 52.694 52.694 53.265 -0.571 17598 9202 1 19 . 1 1 93 93 ARG CB C 93 34.161 34.161 34.025 0.136 17598 9203 1 19 . 1 1 93 93 ARG H H 93 9.283 9.283 8.823 0.460 17598 9204 1 19 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.494 0.749 17598 9205 1 19 . 1 1 94 94 PRO CA C 94 62.253 62.253 63.049 -0.796 17598 9206 1 19 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.265 1.309 17598 9207 1 19 . 1 1 95 95 ARG N N 95 120.416 120.416 125.362 -4.946 17598 9208 1 19 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.614 0.082 17598 9209 1 19 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.543 0.080 17598 9210 1 19 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.086 0.306 17598 9211 1 19 . 1 1 95 95 ARG H H 95 9.115 9.115 8.785 0.330 17598 9212 1 19 . 1 1 96 96 SER N N 96 115.719 115.719 118.954 -3.235 17598 9213 1 19 . 1 1 96 96 SER HA H 96 5.781 5.781 5.354 0.427 17598 9214 1 19 . 1 1 96 96 SER CA C 96 56.824 56.824 57.330 -0.506 17598 9215 1 19 . 1 1 96 96 SER CB C 96 65.906 65.906 64.148 1.758 17598 9216 1 19 . 1 1 96 96 SER H H 96 8.676 8.676 8.661 0.015 17598 9217 1 19 . 1 1 97 97 LEU N N 97 126.188 126.188 127.954 -1.766 17598 9218 1 19 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.854 0.019 17598 9219 1 19 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.883 1.151 17598 9220 1 19 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.590 1.341 17598 9221 1 19 . 1 1 97 97 LEU H H 97 9.030 9.030 9.025 0.005 17598 9222 1 19 . 1 1 98 98 THR N N 98 113.687 113.687 115.280 -1.593 17598 9223 1 19 . 1 1 98 98 THR HA H 98 4.869 4.869 4.490 0.379 17598 9224 1 19 . 1 1 98 98 THR CA C 98 60.265 60.265 60.558 -0.293 17598 9225 1 19 . 1 1 98 98 THR CB C 98 70.650 70.650 70.140 0.510 17598 9226 1 19 . 1 1 98 98 THR H H 98 8.410 8.410 8.310 0.100 17598 9227 1 19 . 1 1 99 99 LEU N N 99 126.344 126.344 125.088 1.256 17598 9228 1 19 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.073 0.012 17598 9229 1 19 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.454 -0.683 17598 9230 1 19 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.095 0.958 17598 9231 1 19 . 1 1 99 99 LEU H H 99 7.806 7.806 8.044 -0.238 17598 9232 1 19 . 1 1 100 100 LYS N N 100 128.063 128.063 124.478 3.585 17598 9233 1 19 . 1 1 100 100 LYS HA H 100 4.395 4.395 3.855 0.540 17598 9234 1 19 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.060 -1.145 17598 9235 1 19 . 1 1 100 100 LYS CB C 100 33.060 33.060 31.035 2.025 17598 9236 1 19 . 1 1 100 100 LYS H H 100 8.816 8.816 8.872 -0.056 17598 9237 1 19 . 1 1 101 101 GLU N N 101 123.531 123.531 118.254 5.277 17598 9238 1 19 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.183 -0.194 17598 9239 1 19 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.771 -0.801 17598 9240 1 19 . 1 1 101 101 GLU CB C 101 30.589 30.589 30.304 0.285 17598 9241 1 19 . 1 1 101 101 GLU H H 101 8.323 8.323 7.699 0.624 17598 9242 1 19 . 1 1 102 102 ARG N N 102 122.965 122.965 120.370 2.595 17598 9243 1 19 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.138 0.229 17598 9244 1 19 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.808 -1.034 17598 9245 1 19 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.693 -0.134 17598 9246 1 19 . 1 1 102 102 ARG H H 102 8.414 8.414 8.641 -0.227 17598 9247 1 19 . 1 1 103 103 SER N N 103 117.435 117.435 116.837 0.598 17598 9248 1 19 . 1 1 103 103 SER HA H 103 4.431 4.431 4.358 0.073 17598 9249 1 19 . 1 1 103 103 SER CA C 103 58.079 58.079 58.427 -0.348 17598 9250 1 19 . 1 1 103 103 SER CB C 103 63.554 63.554 61.893 1.661 17598 9251 1 19 . 1 1 103 103 SER H H 103 8.423 8.423 8.605 -0.182 17598 9252 1 19 . 1 1 104 104 LEU N N 104 124.423 124.423 121.774 2.649 17598 9253 1 19 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.042 0.282 17598 9254 1 19 . 1 1 104 104 LEU CA C 104 55.124 55.124 55.840 -0.716 17598 9255 1 19 . 1 1 104 104 LEU CB C 104 41.989 41.989 41.697 0.292 17598 9256 1 19 . 1 1 104 104 LEU H H 104 8.369 8.369 8.144 0.225 17598 9257 1 19 . 1 1 105 105 GLU N N 105 120.875 120.875 120.058 0.817 17598 9258 1 19 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.643 -0.629 17598 9259 1 19 . 1 1 105 105 GLU CA C 105 57.945 57.945 56.229 1.716 17598 9260 1 19 . 1 1 105 105 GLU CB C 105 29.846 29.846 28.156 1.690 17598 9261 1 19 . 1 1 105 105 GLU H H 105 8.249 8.249 8.444 -0.195 17598 9262 1 19 . 1 1 106 106 HIS N N 106 120.719 120.719 121.034 -0.315 17598 9263 1 19 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.546 1.062 17598 9264 1 19 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.566 1.882 17598 9265 1 19 . 1 1 106 106 HIS H H 106 8.274 8.274 8.153 0.121 17598 9266 1 19 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.776 -0.190 17598 9267 1 19 . 1 1 107 107 HIS CA C 107 55.804 55.804 56.665 -0.861 17598 9268 1 19 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.492 -0.068 17598 9269 1 19 . 1 1 108 108 HIS N N 108 125.843 125.843 120.570 5.273 17598 9270 1 19 . 1 1 108 108 HIS CA C 108 57.105 57.105 58.704 -1.599 17598 9271 1 19 . 1 1 108 108 HIS CB C 108 30.424 30.424 29.198 1.226 17598 9272 1 19 . 1 1 108 108 HIS H H 108 7.941 7.941 8.013 -0.072 17598 9273 1 20 . 1 1 2 2 LEU HA H 2 4.375 4.375 4.909 -0.534 17598 9274 1 20 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.834 0.516 17598 9275 1 20 . 1 1 2 2 LEU CB C 2 42.048 42.048 43.472 -1.424 17598 9276 1 20 . 1 1 3 3 THR N N 3 114.937 114.937 113.648 1.289 17598 9277 1 20 . 1 1 3 3 THR HA H 3 4.205 4.205 4.527 -0.322 17598 9278 1 20 . 1 1 3 3 THR CA C 3 62.493 62.493 61.887 0.606 17598 9279 1 20 . 1 1 3 3 THR CB C 3 69.391 69.391 72.400 -3.009 17598 9280 1 20 . 1 1 3 3 THR H H 3 8.316 8.316 8.115 0.201 17598 9281 1 20 . 1 1 4 4 VAL N N 4 122.438 122.438 122.001 0.437 17598 9282 1 20 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.242 -0.174 17598 9283 1 20 . 1 1 4 4 VAL CA C 4 62.493 62.493 62.005 0.488 17598 9284 1 20 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.523 -0.165 17598 9285 1 20 . 1 1 4 4 VAL H H 4 7.953 7.953 8.475 -0.522 17598 9286 1 20 . 1 1 5 5 ARG N N 5 124.781 124.781 121.894 2.887 17598 9287 1 20 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.261 0.089 17598 9288 1 20 . 1 1 5 5 ARG CA C 5 55.842 55.842 56.578 -0.737 17598 9289 1 20 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.701 -0.058 17598 9290 1 20 . 1 1 5 5 ARG H H 5 8.319 8.319 8.265 0.054 17598 9291 1 20 . 1 1 6 6 GLN N N 6 121.656 121.656 120.954 0.702 17598 9292 1 20 . 1 1 6 6 GLN CA C 6 55.842 55.842 54.714 1.128 17598 9293 1 20 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.359 -1.170 17598 9294 1 20 . 1 1 6 6 GLN H H 6 8.373 8.373 8.279 0.094 17598 9295 1 20 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.625 -0.816 17598 9296 1 20 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.289 -1.457 17598 9297 1 20 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.580 -3.517 17598 9298 1 20 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.021 -0.292 17598 9299 1 20 . 1 1 8 8 GLY H H 8 8.407 8.407 8.402 0.005 17598 9300 1 20 . 1 1 9 9 ASN N N 9 118.812 118.812 119.644 -0.832 17598 9301 1 20 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.727 -0.011 17598 9302 1 20 . 1 1 9 9 ASN CA C 9 52.883 52.883 52.861 0.021 17598 9303 1 20 . 1 1 9 9 ASN CB C 9 38.892 38.892 40.303 -1.411 17598 9304 1 20 . 1 1 9 9 ASN H H 9 8.337 8.337 8.242 0.095 17598 9305 1 20 . 1 1 10 10 LYS N N 10 122.131 122.131 121.958 0.173 17598 9306 1 20 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.239 0.093 17598 9307 1 20 . 1 1 10 10 LYS CA C 10 55.970 55.970 57.194 -1.224 17598 9308 1 20 . 1 1 10 10 LYS CB C 10 32.574 32.574 31.850 0.724 17598 9309 1 20 . 1 1 10 10 LYS H H 10 8.253 8.253 8.438 -0.185 17598 9310 1 20 . 1 1 11 11 VAL N N 11 123.026 123.026 122.531 0.495 17598 9311 1 20 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.563 -0.427 17598 9312 1 20 . 1 1 11 11 VAL CA C 11 62.005 62.005 60.909 1.096 17598 9313 1 20 . 1 1 11 11 VAL CB C 11 32.822 32.822 34.201 -1.379 17598 9314 1 20 . 1 1 11 11 VAL H H 11 8.428 8.428 8.181 0.247 17598 9315 1 20 . 1 1 12 12 ILE N N 12 127.174 127.174 119.026 8.148 17598 9316 1 20 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.590 -0.486 17598 9317 1 20 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.008 -0.006 17598 9318 1 20 . 1 1 12 12 ILE CB C 12 37.733 37.733 40.310 -2.577 17598 9319 1 20 . 1 1 12 12 ILE H H 12 8.345 8.345 8.281 0.064 17598 9320 1 20 . 1 1 13 13 LYS N N 13 122.906 122.906 119.778 3.128 17598 9321 1 20 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.916 -1.099 17598 9322 1 20 . 1 1 13 13 LYS CA C 13 53.957 53.957 53.907 0.050 17598 9323 1 20 . 1 1 13 13 LYS CB C 13 32.517 32.517 33.150 -0.633 17598 9324 1 20 . 1 1 13 13 LYS H H 13 7.662 7.662 8.322 -0.660 17598 9325 1 20 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.334 -0.409 17598 9326 1 20 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.931 -0.394 17598 9327 1 20 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.890 -0.296 17598 9328 1 20 . 1 1 15 15 ASP N N 15 121.969 121.969 122.707 -0.738 17598 9329 1 20 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.516 0.007 17598 9330 1 20 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.986 -1.012 17598 9331 1 20 . 1 1 15 15 ASP CB C 15 40.470 40.470 41.540 -1.070 17598 9332 1 20 . 1 1 15 15 ASP H H 15 8.607 8.607 8.325 0.282 17598 9333 1 20 . 1 1 16 16 GLU N N 16 126.813 126.813 118.776 8.037 17598 9334 1 20 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.269 -0.077 17598 9335 1 20 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.215 0.436 17598 9336 1 20 . 1 1 16 16 GLU CB C 16 29.207 29.207 30.008 -0.801 17598 9337 1 20 . 1 1 16 16 GLU H H 16 9.032 9.032 8.476 0.556 17598 9338 1 20 . 1 1 17 17 THR N N 17 110.875 110.875 115.665 -4.790 17598 9339 1 20 . 1 1 17 17 THR HA H 17 4.313 4.313 3.943 0.370 17598 9340 1 20 . 1 1 17 17 THR CA C 17 61.660 61.660 62.952 -1.292 17598 9341 1 20 . 1 1 17 17 THR CB C 17 69.392 69.392 67.976 1.416 17598 9342 1 20 . 1 1 17 17 THR H H 17 8.453 8.453 8.616 -0.163 17598 9343 1 20 . 1 1 18 18 ARG N N 18 124.313 124.313 119.517 4.796 17598 9344 1 20 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.111 -0.004 17598 9345 1 20 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.364 -0.431 17598 9346 1 20 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.781 0.240 17598 9347 1 20 . 1 1 18 18 ARG H H 18 6.969 6.969 7.919 -0.950 17598 9348 1 20 . 1 1 19 19 VAL N N 19 127.750 127.750 121.726 6.024 17598 9349 1 20 . 1 1 19 19 VAL HA H 19 3.793 3.793 3.880 -0.087 17598 9350 1 20 . 1 1 19 19 VAL CA C 19 62.530 62.530 64.100 -1.570 17598 9351 1 20 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.259 -1.238 17598 9352 1 20 . 1 1 19 19 VAL H H 19 8.494 8.494 8.472 0.022 17598 9353 1 20 . 1 1 20 20 LYS N N 20 129.005 129.005 124.067 4.938 17598 9354 1 20 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.542 -0.460 17598 9355 1 20 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.033 1.764 17598 9356 1 20 . 1 1 20 20 LYS CB C 20 33.025 33.025 34.307 -1.282 17598 9357 1 20 . 1 1 20 20 LYS H H 20 8.406 8.406 7.827 0.579 17598 9358 1 20 . 1 1 21 21 GLN N N 21 122.125 122.125 117.809 4.316 17598 9359 1 20 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.543 -0.112 17598 9360 1 20 . 1 1 21 21 GLN CA C 21 56.697 56.697 54.709 1.988 17598 9361 1 20 . 1 1 21 21 GLN CB C 21 29.207 29.207 31.372 -2.165 17598 9362 1 20 . 1 1 21 21 GLN H H 21 9.783 9.783 8.229 1.554 17598 9363 1 20 . 1 1 22 22 PHE N N 22 126.785 126.785 121.986 4.799 17598 9364 1 20 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.212 0.080 17598 9365 1 20 . 1 1 22 22 PHE CA C 22 61.906 61.906 61.145 0.761 17598 9366 1 20 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.000 0.105 17598 9367 1 20 . 1 1 22 22 PHE H H 22 9.214 9.214 8.744 0.470 17598 9368 1 20 . 1 1 23 23 LEU N N 23 115.846 115.846 119.429 -3.583 17598 9369 1 20 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.317 -0.197 17598 9370 1 20 . 1 1 23 23 LEU CA C 23 56.358 56.358 57.413 -1.055 17598 9371 1 20 . 1 1 23 23 LEU CB C 23 40.097 40.097 39.997 0.100 17598 9372 1 20 . 1 1 23 23 LEU H H 23 9.173 9.173 8.133 1.040 17598 9373 1 20 . 1 1 24 24 GLU N N 24 117.032 117.032 118.629 -1.597 17598 9374 1 20 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.350 0.461 17598 9375 1 20 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.703 -2.048 17598 9376 1 20 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.008 0.290 17598 9377 1 20 . 1 1 24 24 GLU H H 24 7.789 7.789 8.825 -1.036 17598 9378 1 20 . 1 1 25 25 GLY N N 25 105.050 105.050 105.680 -0.630 17598 9379 1 20 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.816 -0.409 17598 9380 1 20 . 1 1 25 25 GLY H H 25 7.640 7.640 7.355 0.285 17598 9381 1 20 . 1 1 26 26 PHE N N 26 115.467 115.467 118.190 -2.723 17598 9382 1 20 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.665 -0.161 17598 9383 1 20 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.802 -0.275 17598 9384 1 20 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.727 2.390 17598 9385 1 20 . 1 1 26 26 PHE H H 26 6.508 6.508 7.375 -0.867 17598 9386 1 20 . 1 1 27 27 ASN N N 27 118.006 118.006 118.380 -0.374 17598 9387 1 20 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.483 0.005 17598 9388 1 20 . 1 1 27 27 ASN CA C 27 53.029 53.029 54.589 -1.560 17598 9389 1 20 . 1 1 27 27 ASN CB C 27 37.718 37.718 38.771 -1.053 17598 9390 1 20 . 1 1 27 27 ASN H H 27 8.788 8.788 8.629 0.159 17598 9391 1 20 . 1 1 28 28 ILE N N 28 129.126 129.126 121.498 7.628 17598 9392 1 20 . 1 1 28 28 ILE HA H 28 3.688 3.688 4.001 -0.313 17598 9393 1 20 . 1 1 28 28 ILE CA C 28 63.907 63.907 61.853 2.054 17598 9394 1 20 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.622 0.421 17598 9395 1 20 . 1 1 28 28 ILE H H 28 9.557 9.557 8.210 1.347 17598 9396 1 20 . 1 1 29 29 GLU N N 29 120.068 120.068 118.801 1.267 17598 9397 1 20 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.106 0.123 17598 9398 1 20 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.581 -0.234 17598 9399 1 20 . 1 1 29 29 GLU CB C 29 28.129 28.129 29.266 -1.137 17598 9400 1 20 . 1 1 29 29 GLU H H 29 9.064 9.064 8.577 0.487 17598 9401 1 20 . 1 1 30 30 THR N N 30 109.404 109.404 111.002 -1.598 17598 9402 1 20 . 1 1 30 30 THR HA H 30 4.303 4.303 3.923 0.380 17598 9403 1 20 . 1 1 30 30 THR CA C 30 62.079 62.079 63.239 -1.160 17598 9404 1 20 . 1 1 30 30 THR CB C 30 69.583 69.583 68.379 1.204 17598 9405 1 20 . 1 1 30 30 THR H H 30 7.789 7.789 7.850 -0.061 17598 9406 1 20 . 1 1 31 31 PHE N N 31 120.250 120.250 120.579 -0.329 17598 9407 1 20 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.719 0.707 17598 9408 1 20 . 1 1 31 31 PHE CA C 31 55.456 55.456 56.257 -0.801 17598 9409 1 20 . 1 1 31 31 PHE CB C 31 39.993 39.993 39.975 0.018 17598 9410 1 20 . 1 1 31 31 PHE H H 31 7.236 7.236 6.987 0.249 17598 9411 1 20 . 1 1 32 32 GLU N N 32 118.531 118.531 120.125 -1.594 17598 9412 1 20 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.717 0.070 17598 9413 1 20 . 1 1 32 32 GLU CA C 32 53.929 53.929 55.170 -1.241 17598 9414 1 20 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.654 0.039 17598 9415 1 20 . 1 1 32 32 GLU H H 32 8.644 8.644 8.696 -0.052 17598 9416 1 20 . 1 1 33 33 MET N N 33 127.438 127.438 126.228 1.210 17598 9417 1 20 . 1 1 33 33 MET HA H 33 4.643 4.643 4.193 0.450 17598 9418 1 20 . 1 1 33 33 MET CA C 33 56.411 56.411 57.626 -1.215 17598 9419 1 20 . 1 1 33 33 MET CB C 33 32.050 32.050 33.170 -1.120 17598 9420 1 20 . 1 1 33 33 MET H H 33 9.679 9.679 9.131 0.548 17598 9421 1 20 . 1 1 34 34 VAL N N 34 119.176 119.176 125.716 -6.540 17598 9422 1 20 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.491 0.283 17598 9423 1 20 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.594 -0.599 17598 9424 1 20 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.534 -0.685 17598 9425 1 20 . 1 1 34 34 VAL H H 34 8.897 8.897 8.705 0.192 17598 9426 1 20 . 1 1 35 35 GLY N N 35 108.249 108.249 108.033 0.216 17598 9427 1 20 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.701 -0.517 17598 9428 1 20 . 1 1 35 35 GLY H H 35 7.589 7.589 7.965 -0.376 17598 9429 1 20 . 1 1 36 36 THR N N 36 110.562 110.562 112.507 -1.945 17598 9430 1 20 . 1 1 36 36 THR HA H 36 5.088 5.088 4.809 0.279 17598 9431 1 20 . 1 1 36 36 THR CA C 36 60.060 60.060 60.916 -0.856 17598 9432 1 20 . 1 1 36 36 THR CB C 36 72.335 72.335 71.386 0.949 17598 9433 1 20 . 1 1 36 36 THR H H 36 8.300 8.300 8.123 0.177 17598 9434 1 20 . 1 1 37 37 LEU N N 37 122.334 122.334 125.831 -3.497 17598 9435 1 20 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.901 -0.196 17598 9436 1 20 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.673 0.848 17598 9437 1 20 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.495 0.820 17598 9438 1 20 . 1 1 37 37 LEU H H 37 8.886 8.886 8.805 0.081 17598 9439 1 20 . 1 1 38 38 SER N N 38 119.156 119.156 117.599 1.557 17598 9440 1 20 . 1 1 38 38 SER HA H 38 5.489 5.489 5.524 -0.035 17598 9441 1 20 . 1 1 38 38 SER CA C 38 56.819 56.819 56.985 -0.166 17598 9442 1 20 . 1 1 38 38 SER CB C 38 64.655 64.655 64.314 0.341 17598 9443 1 20 . 1 1 38 38 SER H H 38 8.694 8.694 8.491 0.203 17598 9444 1 20 . 1 1 39 39 ASN N N 39 124.156 124.156 121.974 2.182 17598 9445 1 20 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.242 -1.438 17598 9446 1 20 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.131 -0.268 17598 9447 1 20 . 1 1 39 39 ASN H H 39 9.068 9.068 8.760 0.308 17598 9448 1 20 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.086 0.081 17598 9449 1 20 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.889 -0.163 17598 9450 1 20 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.223 -0.012 17598 9451 1 20 . 1 1 41 41 GLN N N 41 114.937 114.937 115.623 -0.686 17598 9452 1 20 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.245 0.105 17598 9453 1 20 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.532 0.163 17598 9454 1 20 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.144 -0.156 17598 9455 1 20 . 1 1 41 41 GLN H H 41 8.399 8.399 8.468 -0.069 17598 9456 1 20 . 1 1 42 42 GLY N N 42 108.502 108.502 105.276 3.226 17598 9457 1 20 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.501 0.070 17598 9458 1 20 . 1 1 42 42 GLY H H 42 7.892 7.892 7.861 0.031 17598 9459 1 20 . 1 1 43 43 THR N N 43 116.344 116.344 117.318 -0.974 17598 9460 1 20 . 1 1 43 43 THR HA H 43 3.749 3.749 4.956 -1.207 17598 9461 1 20 . 1 1 43 43 THR CA C 43 69.834 69.834 62.130 7.704 17598 9462 1 20 . 1 1 43 43 THR CB C 43 70.316 70.316 69.109 1.207 17598 9463 1 20 . 1 1 43 43 THR H H 43 7.762 7.762 7.899 -0.137 17598 9464 1 20 . 1 1 44 44 PHE N N 44 123.688 123.688 125.644 -1.956 17598 9465 1 20 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.870 0.236 17598 9466 1 20 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.113 -0.566 17598 9467 1 20 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.079 -0.174 17598 9468 1 20 . 1 1 44 44 PHE H H 44 9.283 9.283 9.201 0.082 17598 9469 1 20 . 1 1 45 45 ALA N N 45 122.438 122.438 123.420 -0.982 17598 9470 1 20 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.859 0.092 17598 9471 1 20 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.535 -0.425 17598 9472 1 20 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.392 0.245 17598 9473 1 20 . 1 1 45 45 ALA H H 45 9.579 9.579 9.444 0.135 17598 9474 1 20 . 1 1 46 46 LEU N N 46 121.500 121.500 124.775 -3.275 17598 9475 1 20 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.282 -0.139 17598 9476 1 20 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.775 -0.793 17598 9477 1 20 . 1 1 46 46 LEU CB C 46 42.418 42.418 43.095 -0.677 17598 9478 1 20 . 1 1 46 46 LEU H H 46 8.472 8.472 8.864 -0.392 17598 9479 1 20 . 1 1 47 47 VAL N N 47 122.125 122.125 123.999 -1.874 17598 9480 1 20 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.507 0.408 17598 9481 1 20 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.780 -0.357 17598 9482 1 20 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.356 -1.528 17598 9483 1 20 . 1 1 47 47 VAL H H 47 9.175 9.175 8.899 0.276 17598 9484 1 20 . 1 1 48 48 LYS N N 48 129.000 129.000 124.664 4.336 17598 9485 1 20 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.894 0.304 17598 9486 1 20 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.181 0.545 17598 9487 1 20 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.820 -0.787 17598 9488 1 20 . 1 1 48 48 LYS H H 48 9.675 9.675 8.684 0.991 17598 9489 1 20 . 1 1 49 49 GLY N N 49 113.844 113.844 111.029 2.815 17598 9490 1 20 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.645 -0.769 17598 9491 1 20 . 1 1 49 49 GLY H H 49 8.792 8.792 8.701 0.091 17598 9492 1 20 . 1 1 50 50 ALA N N 50 123.844 123.844 121.377 2.467 17598 9493 1 20 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.476 -0.024 17598 9494 1 20 . 1 1 50 50 ALA CA C 50 52.982 52.982 52.931 0.051 17598 9495 1 20 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.166 -0.216 17598 9496 1 20 . 1 1 50 50 ALA H H 50 8.963 8.963 8.855 0.108 17598 9497 1 20 . 1 1 51 51 GLY N N 51 105.406 105.406 103.351 2.055 17598 9498 1 20 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.235 0.309 17598 9499 1 20 . 1 1 51 51 GLY H H 51 8.582 8.582 8.382 0.200 17598 9500 1 20 . 1 1 52 52 GLY N N 52 108.644 108.644 106.421 2.223 17598 9501 1 20 . 1 1 52 52 GLY CA C 52 45.149 45.149 44.922 0.227 17598 9502 1 20 . 1 1 52 52 GLY H H 52 7.692 7.692 7.889 -0.197 17598 9503 1 20 . 1 1 53 53 VAL N N 53 121.656 121.656 116.875 4.781 17598 9504 1 20 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.674 -0.087 17598 9505 1 20 . 1 1 53 53 VAL CA C 53 61.745 61.745 60.160 1.585 17598 9506 1 20 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.390 -1.423 17598 9507 1 20 . 1 1 53 53 VAL H H 53 7.928 7.928 8.260 -0.332 17598 9508 1 20 . 1 1 54 54 HIS N N 54 128.219 128.219 123.454 4.765 17598 9509 1 20 . 1 1 54 54 HIS HA H 54 4.623 4.623 5.027 -0.404 17598 9510 1 20 . 1 1 54 54 HIS CA C 54 54.866 54.866 53.888 0.979 17598 9511 1 20 . 1 1 54 54 HIS CB C 54 34.303 34.303 33.049 1.254 17598 9512 1 20 . 1 1 54 54 HIS H H 54 9.188 9.188 8.912 0.276 17598 9513 1 20 . 1 1 55 55 ARG N N 55 122.125 122.125 122.987 -0.862 17598 9514 1 20 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.289 -0.262 17598 9515 1 20 . 1 1 55 55 ARG CA C 55 55.284 55.284 54.999 0.285 17598 9516 1 20 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.482 -1.725 17598 9517 1 20 . 1 1 55 55 ARG H H 55 8.816 8.816 8.584 0.232 17598 9518 1 20 . 1 1 56 56 VAL N N 56 124.229 124.229 117.882 6.347 17598 9519 1 20 . 1 1 56 56 VAL HA H 56 4.708 4.708 5.013 -0.305 17598 9520 1 20 . 1 1 56 56 VAL CA C 56 60.682 60.682 59.506 1.176 17598 9521 1 20 . 1 1 56 56 VAL CB C 56 35.467 35.467 36.557 -1.090 17598 9522 1 20 . 1 1 56 56 VAL H H 56 9.444 9.444 9.027 0.417 17598 9523 1 20 . 1 1 57 57 ARG N N 57 124.554 124.554 119.579 4.975 17598 9524 1 20 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.682 0.141 17598 9525 1 20 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.790 -0.466 17598 9526 1 20 . 1 1 57 57 ARG CB C 57 33.985 33.985 33.181 0.804 17598 9527 1 20 . 1 1 57 57 ARG H H 57 9.124 9.124 7.656 1.468 17598 9528 1 20 . 1 1 58 58 VAL N N 58 120.250 120.250 120.035 0.215 17598 9529 1 20 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.448 -0.093 17598 9530 1 20 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.809 0.637 17598 9531 1 20 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.262 0.670 17598 9532 1 20 . 1 1 58 58 VAL H H 58 8.327 8.327 8.395 -0.068 17598 9533 1 20 . 1 1 59 59 GLY N N 59 117.437 117.437 116.189 1.248 17598 9534 1 20 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.468 0.107 17598 9535 1 20 . 1 1 59 59 GLY H H 59 9.097 9.097 8.687 0.410 17598 9536 1 20 . 1 1 60 60 ASP N N 60 121.031 121.031 122.167 -1.136 17598 9537 1 20 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.470 0.481 17598 9538 1 20 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.374 -1.032 17598 9539 1 20 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.688 0.070 17598 9540 1 20 . 1 1 60 60 ASP H H 60 7.800 7.800 7.952 -0.152 17598 9541 1 20 . 1 1 61 61 TYR N N 61 115.406 115.406 116.424 -1.018 17598 9542 1 20 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.530 0.060 17598 9543 1 20 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.660 0.132 17598 9544 1 20 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.908 0.662 17598 9545 1 20 . 1 1 61 61 TYR H H 61 7.834 7.834 8.371 -0.537 17598 9546 1 20 . 1 1 62 62 LEU N N 62 117.750 117.750 120.537 -2.787 17598 9547 1 20 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.773 -0.472 17598 9548 1 20 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.697 -0.700 17598 9549 1 20 . 1 1 62 62 LEU CB C 62 46.770 46.770 46.495 0.275 17598 9550 1 20 . 1 1 62 62 LEU H H 62 9.362 9.362 8.576 0.786 17598 9551 1 20 . 1 1 63 63 GLY N N 63 107.303 107.303 107.580 -0.277 17598 9552 1 20 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.070 -0.782 17598 9553 1 20 . 1 1 63 63 GLY H H 63 7.945 7.945 8.435 -0.490 17598 9554 1 20 . 1 1 64 64 ARG N N 64 113.687 113.687 120.939 -7.252 17598 9555 1 20 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.267 0.174 17598 9556 1 20 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.886 -0.617 17598 9557 1 20 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.499 0.247 17598 9558 1 20 . 1 1 64 64 ARG H H 64 8.424 8.424 8.388 0.036 17598 9559 1 20 . 1 1 65 65 ASN N N 65 121.626 121.626 115.881 5.745 17598 9560 1 20 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.741 0.758 17598 9561 1 20 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.811 0.545 17598 9562 1 20 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.243 1.273 17598 9563 1 20 . 1 1 65 65 ASN H H 65 9.529 9.529 8.021 1.508 17598 9564 1 20 . 1 1 66 66 ASP N N 66 116.656 116.656 117.418 -0.762 17598 9565 1 20 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.306 -0.407 17598 9566 1 20 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.348 -0.560 17598 9567 1 20 . 1 1 66 66 ASP CB C 66 39.420 39.420 38.752 0.668 17598 9568 1 20 . 1 1 66 66 ASP H H 66 9.397 9.397 7.838 1.559 17598 9569 1 20 . 1 1 67 67 GLY N N 67 100.587 100.587 105.863 -5.276 17598 9570 1 20 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.297 2.714 17598 9571 1 20 . 1 1 67 67 GLY H H 67 7.424 7.424 8.246 -0.822 17598 9572 1 20 . 1 1 68 68 LYS N N 68 130.952 130.952 128.325 2.627 17598 9573 1 20 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.854 -1.006 17598 9574 1 20 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.099 -0.120 17598 9575 1 20 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.430 0.027 17598 9576 1 20 . 1 1 68 68 LYS H H 68 8.121 8.121 8.782 -0.661 17598 9577 1 20 . 1 1 69 69 VAL N N 69 126.813 126.813 127.650 -0.837 17598 9578 1 20 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.841 0.271 17598 9579 1 20 . 1 1 69 69 VAL CA C 69 63.283 63.283 64.173 -0.890 17598 9580 1 20 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.581 0.153 17598 9581 1 20 . 1 1 69 69 VAL H H 69 9.113 9.113 8.524 0.589 17598 9582 1 20 . 1 1 70 70 VAL N N 70 122.594 122.594 122.794 -0.200 17598 9583 1 20 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.557 0.048 17598 9584 1 20 . 1 1 70 70 VAL CA C 70 60.897 60.897 62.043 -1.146 17598 9585 1 20 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.717 -1.074 17598 9586 1 20 . 1 1 70 70 VAL H H 70 8.968 8.968 8.626 0.342 17598 9587 1 20 . 1 1 71 71 GLY N N 71 110.562 110.562 109.699 0.863 17598 9588 1 20 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.348 1.851 17598 9589 1 20 . 1 1 71 71 GLY H H 71 7.638 7.638 8.074 -0.436 17598 9590 1 20 . 1 1 72 72 ILE N N 72 123.063 123.063 121.773 1.290 17598 9591 1 20 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.261 0.198 17598 9592 1 20 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.650 0.724 17598 9593 1 20 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.860 1.521 17598 9594 1 20 . 1 1 72 72 ILE H H 72 8.404 8.404 8.379 0.025 17598 9595 1 20 . 1 1 73 73 SER N N 73 123.531 123.531 121.440 2.091 17598 9596 1 20 . 1 1 73 73 SER HA H 73 4.723 4.723 4.825 -0.102 17598 9597 1 20 . 1 1 73 73 SER CA C 73 56.220 56.220 56.267 -0.046 17598 9598 1 20 . 1 1 73 73 SER CB C 73 65.450 65.450 64.788 0.662 17598 9599 1 20 . 1 1 73 73 SER H H 73 8.801 8.801 8.752 0.049 17598 9600 1 20 . 1 1 74 74 GLU N N 74 116.656 116.656 117.917 -1.261 17598 9601 1 20 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.387 -0.083 17598 9602 1 20 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.649 -0.919 17598 9603 1 20 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.190 -1.088 17598 9604 1 20 . 1 1 74 74 GLU H H 74 8.537 8.537 8.499 0.038 17598 9605 1 20 . 1 1 75 75 GLY N N 75 102.989 102.989 106.003 -3.014 17598 9606 1 20 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.952 0.067 17598 9607 1 20 . 1 1 75 75 GLY H H 75 8.124 8.124 7.822 0.302 17598 9608 1 20 . 1 1 76 76 LYS N N 76 120.094 120.094 117.164 2.930 17598 9609 1 20 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.138 0.123 17598 9610 1 20 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.343 1.258 17598 9611 1 20 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.886 0.525 17598 9612 1 20 . 1 1 76 76 LYS H H 76 7.546 7.546 7.555 -0.009 17598 9613 1 20 . 1 1 77 77 ILE N N 77 121.344 121.344 119.723 1.621 17598 9614 1 20 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.468 0.082 17598 9615 1 20 . 1 1 77 77 ILE CA C 77 59.847 59.847 60.897 -1.050 17598 9616 1 20 . 1 1 77 77 ILE CB C 77 41.616 41.616 41.980 -0.364 17598 9617 1 20 . 1 1 77 77 ILE H H 77 8.776 8.776 8.559 0.217 17598 9618 1 20 . 1 1 78 78 ASP N N 78 126.813 126.813 129.120 -2.307 17598 9619 1 20 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.150 0.051 17598 9620 1 20 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.720 -0.600 17598 9621 1 20 . 1 1 78 78 ASP CB C 78 42.952 42.952 42.508 0.444 17598 9622 1 20 . 1 1 78 78 ASP H H 78 8.964 8.964 8.393 0.571 17598 9623 1 20 . 1 1 79 79 VAL N N 79 124.156 124.156 118.852 5.304 17598 9624 1 20 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.053 0.126 17598 9625 1 20 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.541 -0.267 17598 9626 1 20 . 1 1 79 79 VAL CB C 79 36.079 36.079 35.889 0.190 17598 9627 1 20 . 1 1 79 79 VAL H H 79 9.060 9.060 9.114 -0.054 17598 9628 1 20 . 1 1 80 80 ILE N N 80 126.656 126.656 123.587 3.069 17598 9629 1 20 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.332 0.163 17598 9630 1 20 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.730 1.453 17598 9631 1 20 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.228 2.059 17598 9632 1 20 . 1 1 80 80 ILE H H 80 8.812 8.812 8.991 -0.179 17598 9633 1 20 . 1 1 81 81 GLU N N 81 126.656 126.656 128.212 -1.556 17598 9634 1 20 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.993 -0.371 17598 9635 1 20 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.692 0.382 17598 9636 1 20 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.139 -0.496 17598 9637 1 20 . 1 1 81 81 GLU H H 81 8.283 8.283 8.622 -0.339 17598 9638 1 20 . 1 1 82 82 ILE N N 82 120.094 120.094 122.149 -2.055 17598 9639 1 20 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.880 0.153 17598 9640 1 20 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.177 1.051 17598 9641 1 20 . 1 1 82 82 ILE CB C 82 39.038 39.038 37.871 1.167 17598 9642 1 20 . 1 1 82 82 ILE H H 82 8.252 8.252 8.686 -0.434 17598 9643 1 20 . 1 1 83 83 VAL N N 83 120.094 120.094 120.249 -0.155 17598 9644 1 20 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.123 0.099 17598 9645 1 20 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.936 -0.713 17598 9646 1 20 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.569 -0.976 17598 9647 1 20 . 1 1 83 83 VAL H H 83 9.201 9.201 9.043 0.158 17598 9648 1 20 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.268 0.107 17598 9649 1 20 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.547 -0.505 17598 9650 1 20 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.421 -0.564 17598 9651 1 20 . 1 1 85 85 ASP N N 85 120.250 120.250 120.950 -0.700 17598 9652 1 20 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.529 -0.024 17598 9653 1 20 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.900 -2.403 17598 9654 1 20 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.497 -1.263 17598 9655 1 20 . 1 1 85 85 ASP H H 85 8.083 8.083 8.533 -0.450 17598 9656 1 20 . 1 1 86 86 GLY N N 86 109.156 109.156 106.995 2.161 17598 9657 1 20 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.658 -0.606 17598 9658 1 20 . 1 1 86 86 GLY H H 86 8.160 8.160 8.425 -0.265 17598 9659 1 20 . 1 1 87 87 GLU N N 87 120.719 120.719 120.812 -0.093 17598 9660 1 20 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.510 -0.069 17598 9661 1 20 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.444 -1.465 17598 9662 1 20 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.684 -0.522 17598 9663 1 20 . 1 1 87 87 GLU H H 87 8.663 8.663 8.455 0.208 17598 9664 1 20 . 1 1 88 88 GLY N N 88 109.312 109.312 107.653 1.659 17598 9665 1 20 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.745 0.020 17598 9666 1 20 . 1 1 88 88 GLY H H 88 8.417 8.417 8.121 0.296 17598 9667 1 20 . 1 1 89 89 ASN N N 89 119.625 119.625 117.493 2.132 17598 9668 1 20 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.817 0.180 17598 9669 1 20 . 1 1 89 89 ASN CA C 89 50.970 50.970 51.963 -0.993 17598 9670 1 20 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.254 0.834 17598 9671 1 20 . 1 1 89 89 ASN H H 89 8.331 8.331 7.667 0.664 17598 9672 1 20 . 1 1 90 90 TRP N N 90 121.188 121.188 118.878 2.310 17598 9673 1 20 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.107 0.054 17598 9674 1 20 . 1 1 90 90 TRP CA C 90 56.770 56.770 57.059 -0.289 17598 9675 1 20 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.829 0.432 17598 9676 1 20 . 1 1 90 90 TRP H H 90 8.538 8.538 8.172 0.366 17598 9677 1 20 . 1 1 91 91 LEU N N 91 121.031 121.031 119.460 1.571 17598 9678 1 20 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.774 0.041 17598 9679 1 20 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.657 -0.301 17598 9680 1 20 . 1 1 91 91 LEU CB C 91 45.243 45.243 47.228 -1.985 17598 9681 1 20 . 1 1 91 91 LEU H H 91 9.518 9.518 9.010 0.508 17598 9682 1 20 . 1 1 92 92 GLU N N 92 119.156 119.156 121.806 -2.650 17598 9683 1 20 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.653 0.399 17598 9684 1 20 . 1 1 92 92 GLU CA C 92 55.360 55.360 57.353 -1.993 17598 9685 1 20 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.496 0.906 17598 9686 1 20 . 1 1 92 92 GLU H H 92 8.490 8.490 8.655 -0.165 17598 9687 1 20 . 1 1 93 93 ARG N N 93 124.938 124.938 122.381 2.557 17598 9688 1 20 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.784 0.280 17598 9689 1 20 . 1 1 93 93 ARG CA C 93 52.694 52.694 53.003 -0.309 17598 9690 1 20 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.667 1.494 17598 9691 1 20 . 1 1 93 93 ARG H H 93 9.283 9.283 8.596 0.687 17598 9692 1 20 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.820 0.423 17598 9693 1 20 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.931 -0.678 17598 9694 1 20 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.224 1.350 17598 9695 1 20 . 1 1 95 95 ARG N N 95 120.416 120.416 124.787 -4.371 17598 9696 1 20 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.660 0.036 17598 9697 1 20 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.820 -0.197 17598 9698 1 20 . 1 1 95 95 ARG CB C 95 33.392 33.392 34.142 -0.750 17598 9699 1 20 . 1 1 95 95 ARG H H 95 9.115 9.115 8.789 0.326 17598 9700 1 20 . 1 1 96 96 SER N N 96 115.719 115.719 118.335 -2.616 17598 9701 1 20 . 1 1 96 96 SER HA H 96 5.781 5.781 5.224 0.557 17598 9702 1 20 . 1 1 96 96 SER CA C 96 56.824 56.824 57.282 -0.458 17598 9703 1 20 . 1 1 96 96 SER CB C 96 65.906 65.906 64.017 1.889 17598 9704 1 20 . 1 1 96 96 SER H H 96 8.676 8.676 8.640 0.036 17598 9705 1 20 . 1 1 97 97 LEU N N 97 126.188 126.188 128.108 -1.920 17598 9706 1 20 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.690 0.183 17598 9707 1 20 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.763 1.271 17598 9708 1 20 . 1 1 97 97 LEU CB C 97 42.931 42.931 40.992 1.939 17598 9709 1 20 . 1 1 97 97 LEU H H 97 9.030 9.030 9.016 0.014 17598 9710 1 20 . 1 1 98 98 THR N N 98 113.687 113.687 114.126 -0.439 17598 9711 1 20 . 1 1 98 98 THR HA H 98 4.869 4.869 4.612 0.257 17598 9712 1 20 . 1 1 98 98 THR CA C 98 60.265 60.265 60.595 -0.330 17598 9713 1 20 . 1 1 98 98 THR CB C 98 70.650 70.650 70.322 0.328 17598 9714 1 20 . 1 1 98 98 THR H H 98 8.410 8.410 8.160 0.250 17598 9715 1 20 . 1 1 99 99 LEU N N 99 126.344 126.344 121.729 4.615 17598 9716 1 20 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.051 0.034 17598 9717 1 20 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.221 -0.450 17598 9718 1 20 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.874 0.179 17598 9719 1 20 . 1 1 99 99 LEU H H 99 7.806 7.806 8.408 -0.602 17598 9720 1 20 . 1 1 100 100 LYS N N 100 128.063 128.063 127.515 0.548 17598 9721 1 20 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.114 0.281 17598 9722 1 20 . 1 1 100 100 LYS CA C 100 55.915 55.915 57.369 -1.454 17598 9723 1 20 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.303 0.757 17598 9724 1 20 . 1 1 100 100 LYS H H 100 8.816 8.816 8.019 0.797 17598 9725 1 20 . 1 1 101 101 GLU N N 101 123.531 123.531 124.936 -1.405 17598 9726 1 20 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.476 -0.487 17598 9727 1 20 . 1 1 101 101 GLU CA C 101 55.970 55.970 55.370 0.600 17598 9728 1 20 . 1 1 101 101 GLU CB C 101 30.589 30.589 32.106 -1.517 17598 9729 1 20 . 1 1 101 101 GLU H H 101 8.323 8.323 8.563 -0.240 17598 9730 1 20 . 1 1 102 102 ARG N N 102 122.965 122.965 124.263 -1.298 17598 9731 1 20 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.304 0.063 17598 9732 1 20 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.842 -1.068 17598 9733 1 20 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.499 0.060 17598 9734 1 20 . 1 1 102 102 ARG H H 102 8.414 8.414 8.580 -0.166 17598 9735 1 20 . 1 1 103 103 SER N N 103 117.435 117.435 116.844 0.591 17598 9736 1 20 . 1 1 103 103 SER HA H 103 4.431 4.431 4.704 -0.273 17598 9737 1 20 . 1 1 103 103 SER CA C 103 58.079 58.079 57.417 0.662 17598 9738 1 20 . 1 1 103 103 SER CB C 103 63.554 63.554 64.577 -1.023 17598 9739 1 20 . 1 1 103 103 SER H H 103 8.423 8.423 8.366 0.057 17598 9740 1 20 . 1 1 104 104 LEU N N 104 124.423 124.423 123.273 1.150 17598 9741 1 20 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.740 -0.416 17598 9742 1 20 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.766 0.358 17598 9743 1 20 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.534 -0.545 17598 9744 1 20 . 1 1 104 104 LEU H H 104 8.369 8.369 8.406 -0.037 17598 9745 1 20 . 1 1 105 105 GLU N N 105 120.875 120.875 123.264 -2.389 17598 9746 1 20 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.196 -0.182 17598 9747 1 20 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.075 2.870 17598 9748 1 20 . 1 1 105 105 GLU CB C 105 29.846 29.846 31.188 -1.342 17598 9749 1 20 . 1 1 105 105 GLU H H 105 8.249 8.249 8.660 -0.411 17598 9750 1 20 . 1 1 106 106 HIS N N 106 120.719 120.719 120.410 0.309 17598 9751 1 20 . 1 1 106 106 HIS CA C 106 56.608 56.608 55.934 0.674 17598 9752 1 20 . 1 1 106 106 HIS CB C 106 32.448 32.448 29.368 3.080 17598 9753 1 20 . 1 1 106 106 HIS H H 106 8.274 8.274 8.446 -0.172 17598 9754 1 20 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.768 -0.182 17598 9755 1 20 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.343 0.462 17598 9756 1 20 . 1 1 107 107 HIS CB C 107 30.424 30.424 31.296 -0.872 17598 9757 1 20 . 1 1 108 108 HIS N N 108 125.843 125.843 120.018 5.825 17598 9758 1 20 . 1 1 108 108 HIS CA C 108 57.105 57.105 56.640 0.465 17598 9759 1 20 . 1 1 108 108 HIS CB C 108 30.424 30.424 30.649 -0.226 17598 9760 1 20 . 1 1 108 108 HIS H H 108 7.941 7.941 8.461 -0.520 17598 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 99 3.336 -0.823 3.249 17598 2 1 1 "Average Difference" HA 117 0.378 0.013 0.380 17598 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17598 4 1 1 "Average Difference" CA 107 1.238 -0.078 1.241 17598 5 1 1 "Average Difference" CB 93 1.177 0.056 1.182 17598 6 1 1 "Average Difference" HN 100 0.490 -0.114 0.479 17598 7 1 2 "Average Difference" N 99 3.157 -0.356 3.153 17598 8 1 2 "Average Difference" HA 117 0.351 -0.026 0.352 17598 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17598 10 1 2 "Average Difference" CA 107 1.233 0.078 1.236 17598 11 1 2 "Average Difference" CB 93 1.095 -0.118 1.095 17598 12 1 2 "Average Difference" HN 100 0.500 -0.106 0.491 17598 13 1 3 "Average Difference" N 99 3.397 -1.019 3.257 17598 14 1 3 "Average Difference" HA 117 0.347 -0.013 0.348 17598 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17598 16 1 3 "Average Difference" CA 107 1.172 -0.040 1.176 17598 17 1 3 "Average Difference" CB 93 1.083 0.027 1.089 17598 18 1 3 "Average Difference" HN 100 0.536 -0.167 0.512 17598 19 1 4 "Average Difference" N 99 3.128 -0.120 3.142 17598 20 1 4 "Average Difference" HA 117 0.373 -0.019 0.374 17598 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17598 22 1 4 "Average Difference" CA 107 1.268 0.022 1.273 17598 23 1 4 "Average Difference" CB 93 1.199 -0.055 1.205 17598 24 1 4 "Average Difference" HN 100 0.504 -0.138 0.488 17598 25 1 5 "Average Difference" N 99 3.555 -0.820 3.477 17598 26 1 5 "Average Difference" HA 117 0.367 -0.011 0.368 17598 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17598 28 1 5 "Average Difference" CA 107 1.253 -0.029 1.259 17598 29 1 5 "Average Difference" CB 93 1.256 0.009 1.262 17598 30 1 5 "Average Difference" HN 100 0.559 -0.132 0.546 17598 31 1 6 "Average Difference" N 99 3.079 -0.810 2.985 17598 32 1 6 "Average Difference" HA 117 0.361 0.012 0.362 17598 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17598 34 1 6 "Average Difference" CA 107 1.231 -0.044 1.236 17598 35 1 6 "Average Difference" CB 93 1.085 -0.003 1.091 17598 36 1 6 "Average Difference" HN 100 0.525 -0.127 0.512 17598 37 1 7 "Average Difference" N 99 3.272 -0.410 3.263 17598 38 1 7 "Average Difference" HA 117 0.369 0.006 0.371 17598 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17598 40 1 7 "Average Difference" CA 107 1.314 -0.012 1.320 17598 41 1 7 "Average Difference" CB 93 1.222 -0.054 1.227 17598 42 1 7 "Average Difference" HN 100 0.484 -0.111 0.473 17598 43 1 8 "Average Difference" N 99 3.186 -0.914 3.068 17598 44 1 8 "Average Difference" HA 117 0.362 -0.011 0.363 17598 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17598 46 1 8 "Average Difference" CA 107 1.245 0.037 1.250 17598 47 1 8 "Average Difference" CB 93 1.242 -0.046 1.248 17598 48 1 8 "Average Difference" HN 100 0.505 -0.110 0.495 17598 49 1 9 "Average Difference" N 99 3.250 -0.490 3.229 17598 50 1 9 "Average Difference" HA 117 0.361 -0.035 0.361 17598 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17598 52 1 9 "Average Difference" CA 107 1.250 0.066 1.254 17598 53 1 9 "Average Difference" CB 93 1.139 -0.095 1.141 17598 54 1 9 "Average Difference" HN 100 0.515 -0.155 0.493 17598 55 1 10 "Average Difference" N 99 3.477 -0.796 3.402 17598 56 1 10 "Average Difference" HA 117 0.352 -0.005 0.354 17598 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17598 58 1 10 "Average Difference" CA 107 1.331 0.034 1.337 17598 59 1 10 "Average Difference" CB 93 1.191 -0.039 1.197 17598 60 1 10 "Average Difference" HN 100 0.476 -0.100 0.468 17598 61 1 11 "Average Difference" N 99 3.157 -0.704 3.093 17598 62 1 11 "Average Difference" HA 117 0.366 0.014 0.367 17598 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17598 64 1 11 "Average Difference" CA 107 1.228 -0.066 1.232 17598 65 1 11 "Average Difference" CB 93 1.157 -0.011 1.163 17598 66 1 11 "Average Difference" HN 100 0.498 -0.129 0.483 17598 67 1 12 "Average Difference" N 99 3.092 -0.632 3.042 17598 68 1 12 "Average Difference" HA 117 0.363 -0.005 0.365 17598 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17598 70 1 12 "Average Difference" CA 107 1.322 -0.073 1.326 17598 71 1 12 "Average Difference" CB 93 1.132 0.088 1.134 17598 72 1 12 "Average Difference" HN 100 0.520 -0.134 0.505 17598 73 1 13 "Average Difference" N 99 3.180 -0.255 3.186 17598 74 1 13 "Average Difference" HA 117 0.375 -0.028 0.376 17598 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17598 76 1 13 "Average Difference" CA 107 1.241 -0.053 1.245 17598 77 1 13 "Average Difference" CB 93 1.223 -0.048 1.229 17598 78 1 13 "Average Difference" HN 100 0.533 -0.118 0.523 17598 79 1 14 "Average Difference" N 99 3.350 -0.347 3.349 17598 80 1 14 "Average Difference" HA 117 0.378 0.013 0.380 17598 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17598 82 1 14 "Average Difference" CA 107 1.264 0.020 1.269 17598 83 1 14 "Average Difference" CB 93 1.368 0.026 1.375 17598 84 1 14 "Average Difference" HN 100 0.535 -0.107 0.526 17598 85 1 15 "Average Difference" N 99 3.314 -0.572 3.281 17598 86 1 15 "Average Difference" HA 117 0.367 -0.018 0.368 17598 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17598 88 1 15 "Average Difference" CA 107 1.193 -0.052 1.198 17598 89 1 15 "Average Difference" CB 93 0.994 -0.119 0.992 17598 90 1 15 "Average Difference" HN 100 0.486 -0.126 0.472 17598 91 1 16 "Average Difference" N 99 3.272 -0.624 3.229 17598 92 1 16 "Average Difference" HA 117 0.382 0.021 0.383 17598 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17598 94 1 16 "Average Difference" CA 107 1.252 -0.037 1.257 17598 95 1 16 "Average Difference" CB 93 1.278 0.047 1.284 17598 96 1 16 "Average Difference" HN 100 0.500 -0.097 0.493 17598 97 1 17 "Average Difference" N 99 3.309 -0.339 3.308 17598 98 1 17 "Average Difference" HA 117 0.361 -0.004 0.363 17598 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17598 100 1 17 "Average Difference" CA 107 1.301 -0.049 1.306 17598 101 1 17 "Average Difference" CB 93 1.158 0.027 1.164 17598 102 1 17 "Average Difference" HN 100 0.556 -0.120 0.546 17598 103 1 18 "Average Difference" N 99 3.196 -0.445 3.181 17598 104 1 18 "Average Difference" HA 117 0.363 0.014 0.365 17598 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17598 106 1 18 "Average Difference" CA 107 1.366 0.017 1.373 17598 107 1 18 "Average Difference" CB 93 1.116 0.048 1.121 17598 108 1 18 "Average Difference" HN 100 0.509 -0.102 0.501 17598 109 1 19 "Average Difference" N 99 3.328 -0.928 3.213 17598 110 1 19 "Average Difference" HA 117 0.387 -0.028 0.388 17598 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17598 112 1 19 "Average Difference" CA 107 1.250 -0.001 1.256 17598 113 1 19 "Average Difference" CB 93 1.131 -0.090 1.133 17598 114 1 19 "Average Difference" HN 100 0.497 -0.126 0.483 17598 115 1 20 "Average Difference" N 99 3.151 -0.662 3.097 17598 116 1 20 "Average Difference" HA 117 0.364 -0.006 0.366 17598 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17598 118 1 20 "Average Difference" CA 107 1.237 0.050 1.242 17598 119 1 20 "Average Difference" CB 93 1.168 0.134 1.166 17598 120 1 20 "Average Difference" HN 100 0.519 -0.112 0.510 17598 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 17598 _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 LEU HA H 2 4.375 4.375 4.696 -0.321 17598 2 1 . 1 1 2 2 LEU CA C 2 55.350 55.350 54.776 0.574 17598 3 1 . 1 1 2 2 LEU CB C 2 42.048 42.048 42.834 -0.786 17598 4 1 . 1 1 3 3 THR N N 3 114.937 114.937 116.164 -1.227 17598 5 1 . 1 1 3 3 THR HA H 3 4.205 4.205 4.450 -0.245 17598 6 1 . 1 1 3 3 THR CA C 3 62.493 62.493 61.851 0.642 17598 7 1 . 1 1 3 3 THR CB C 3 69.391 69.391 69.967 -0.576 17598 8 1 . 1 1 3 3 THR H H 3 8.316 8.316 8.258 0.058 17598 9 1 . 1 1 4 4 VAL N N 4 122.438 122.438 121.803 0.635 17598 10 1 . 1 1 4 4 VAL HA H 4 4.068 4.068 4.216 -0.148 17598 11 1 . 1 1 4 4 VAL CA C 4 62.493 62.493 61.998 0.495 17598 12 1 . 1 1 4 4 VAL CB C 4 32.358 32.358 32.433 -0.075 17598 13 1 . 1 1 4 4 VAL H H 4 7.953 7.953 8.260 -0.307 17598 14 1 . 1 1 5 5 ARG N N 5 124.781 124.781 123.781 1.000 17598 15 1 . 1 1 5 5 ARG HA H 5 4.350 4.350 4.499 -0.149 17598 16 1 . 1 1 5 5 ARG CA C 5 55.842 55.842 55.777 0.065 17598 17 1 . 1 1 5 5 ARG CB C 5 30.643 30.643 30.388 0.255 17598 18 1 . 1 1 5 5 ARG H H 5 8.319 8.319 8.347 -0.028 17598 19 1 . 1 1 6 6 GLN N N 6 121.656 121.656 120.952 0.704 17598 20 1 . 1 1 6 6 GLN CA C 6 55.842 55.842 55.580 0.262 17598 21 1 . 1 1 6 6 GLN CB C 6 29.189 29.189 30.112 -0.923 17598 22 1 . 1 1 6 6 GLN H H 6 8.373 8.373 8.261 0.112 17598 23 1 . 1 1 7 7 LYS HA H 7 3.809 3.809 4.549 -0.740 17598 24 1 . 1 1 7 7 LYS CA C 7 54.832 54.832 56.061 -1.229 17598 25 1 . 1 1 7 7 LYS CB C 7 30.063 30.063 33.272 -3.209 17598 26 1 . 1 1 8 8 GLY CA C 8 44.729 44.729 45.188 -0.459 17598 27 1 . 1 1 8 8 GLY H H 8 8.407 8.407 8.513 -0.106 17598 28 1 . 1 1 9 9 ASN N N 9 118.812 118.812 119.309 -0.497 17598 29 1 . 1 1 9 9 ASN HA H 9 4.716 4.716 4.747 -0.031 17598 30 1 . 1 1 9 9 ASN CA C 9 52.883 52.883 53.134 -0.251 17598 31 1 . 1 1 9 9 ASN CB C 9 38.892 38.892 39.295 -0.403 17598 32 1 . 1 1 9 9 ASN H H 9 8.337 8.337 8.397 -0.060 17598 33 1 . 1 1 10 10 LYS N N 10 122.131 122.131 120.863 1.268 17598 34 1 . 1 1 10 10 LYS HA H 10 4.332 4.332 4.393 -0.061 17598 35 1 . 1 1 10 10 LYS CA C 10 55.970 55.970 56.218 -0.248 17598 36 1 . 1 1 10 10 LYS CB C 10 32.574 32.574 32.962 -0.388 17598 37 1 . 1 1 10 10 LYS H H 10 8.253 8.253 8.259 -0.006 17598 38 1 . 1 1 11 11 VAL N N 11 123.026 123.026 118.630 4.396 17598 39 1 . 1 1 11 11 VAL HA H 11 4.136 4.136 4.394 -0.258 17598 40 1 . 1 1 11 11 VAL CA C 11 62.005 62.005 61.053 0.952 17598 41 1 . 1 1 11 11 VAL CB C 11 32.822 32.822 33.835 -1.013 17598 42 1 . 1 1 11 11 VAL H H 11 8.428 8.428 8.053 0.375 17598 43 1 . 1 1 12 12 ILE N N 12 127.174 127.174 121.527 5.647 17598 44 1 . 1 1 12 12 ILE HA H 12 4.104 4.104 4.376 -0.272 17598 45 1 . 1 1 12 12 ILE CA C 12 60.002 60.002 60.859 -0.857 17598 46 1 . 1 1 12 12 ILE CB C 12 37.733 37.733 38.851 -1.118 17598 47 1 . 1 1 12 12 ILE H H 12 8.345 8.345 8.264 0.081 17598 48 1 . 1 1 13 13 LYS N N 13 122.906 122.906 123.882 -0.976 17598 49 1 . 1 1 13 13 LYS HA H 13 3.817 3.817 4.543 -0.726 17598 50 1 . 1 1 13 13 LYS CA C 13 53.957 53.957 54.520 -0.563 17598 51 1 . 1 1 13 13 LYS CB C 13 32.517 32.517 32.593 -0.076 17598 52 1 . 1 1 13 13 LYS H H 13 7.662 7.662 8.309 -0.647 17598 53 1 . 1 1 14 14 PRO HA H 14 3.925 3.925 4.284 -0.359 17598 54 1 . 1 1 14 14 PRO CA C 14 62.537 62.537 62.728 -0.191 17598 55 1 . 1 1 14 14 PRO CB C 14 31.593 31.593 31.946 -0.353 17598 56 1 . 1 1 15 15 ASP N N 15 121.969 121.969 120.836 1.133 17598 57 1 . 1 1 15 15 ASP HA H 15 4.523 4.523 4.662 -0.139 17598 58 1 . 1 1 15 15 ASP CA C 15 52.974 52.974 53.427 -0.453 17598 59 1 . 1 1 15 15 ASP CB C 15 40.470 40.470 41.984 -1.514 17598 60 1 . 1 1 15 15 ASP H H 15 8.607 8.607 8.300 0.307 17598 61 1 . 1 1 16 16 GLU N N 16 126.813 126.813 119.689 7.124 17598 62 1 . 1 1 16 16 GLU HA H 16 4.192 4.192 4.238 -0.046 17598 63 1 . 1 1 16 16 GLU CA C 16 57.651 57.651 57.292 0.359 17598 64 1 . 1 1 16 16 GLU CB C 16 29.207 29.207 29.587 -0.379 17598 65 1 . 1 1 16 16 GLU H H 16 9.032 9.032 8.563 0.469 17598 66 1 . 1 1 17 17 THR N N 17 110.875 110.875 111.764 -0.889 17598 67 1 . 1 1 17 17 THR HA H 17 4.313 4.313 4.179 0.134 17598 68 1 . 1 1 17 17 THR CA C 17 61.660 61.660 62.682 -1.022 17598 69 1 . 1 1 17 17 THR CB C 17 69.392 69.392 68.959 0.433 17598 70 1 . 1 1 17 17 THR H H 17 8.453 8.453 7.979 0.474 17598 71 1 . 1 1 18 18 ARG N N 18 124.313 124.313 121.011 3.302 17598 72 1 . 1 1 18 18 ARG HA H 18 4.107 4.107 4.290 -0.183 17598 73 1 . 1 1 18 18 ARG CA C 18 55.933 55.933 56.142 -0.209 17598 74 1 . 1 1 18 18 ARG CB C 18 31.021 31.021 30.988 0.033 17598 75 1 . 1 1 18 18 ARG H H 18 6.969 6.969 7.752 -0.783 17598 76 1 . 1 1 19 19 VAL N N 19 127.750 127.750 119.525 8.225 17598 77 1 . 1 1 19 19 VAL HA H 19 3.793 3.793 4.050 -0.257 17598 78 1 . 1 1 19 19 VAL CA C 19 62.530 62.530 62.694 -0.164 17598 79 1 . 1 1 19 19 VAL CB C 19 31.021 31.021 32.704 -1.683 17598 80 1 . 1 1 19 19 VAL H H 19 8.494 8.494 8.227 0.267 17598 81 1 . 1 1 20 20 LYS N N 20 129.005 129.005 126.418 2.587 17598 82 1 . 1 1 20 20 LYS HA H 20 4.082 4.082 4.575 -0.493 17598 83 1 . 1 1 20 20 LYS CA C 20 56.797 56.797 55.249 1.548 17598 84 1 . 1 1 20 20 LYS CB C 20 33.025 33.025 32.171 0.854 17598 85 1 . 1 1 20 20 LYS H H 20 8.406 8.406 8.314 0.092 17598 86 1 . 1 1 21 21 GLN N N 21 122.125 122.125 120.765 1.360 17598 87 1 . 1 1 21 21 GLN HA H 21 4.431 4.431 4.366 0.065 17598 88 1 . 1 1 21 21 GLN CA C 21 56.697 56.697 55.834 0.862 17598 89 1 . 1 1 21 21 GLN CB C 21 29.207 29.207 29.984 -0.777 17598 90 1 . 1 1 21 21 GLN H H 21 9.783 9.783 8.187 1.596 17598 91 1 . 1 1 22 22 PHE N N 22 126.785 126.785 120.364 6.421 17598 92 1 . 1 1 22 22 PHE HA H 22 4.292 4.292 4.346 -0.054 17598 93 1 . 1 1 22 22 PHE CA C 22 61.906 61.906 60.661 1.245 17598 94 1 . 1 1 22 22 PHE CB C 22 39.105 39.105 39.207 -0.102 17598 95 1 . 1 1 22 22 PHE H H 22 9.214 9.214 8.614 0.600 17598 96 1 . 1 1 23 23 LEU N N 23 115.846 115.846 118.368 -2.522 17598 97 1 . 1 1 23 23 LEU HA H 23 4.120 4.120 4.229 -0.110 17598 98 1 . 1 1 23 23 LEU CA C 23 56.358 56.358 56.626 -0.268 17598 99 1 . 1 1 23 23 LEU CB C 23 40.097 40.097 40.552 -0.455 17598 100 1 . 1 1 23 23 LEU H H 23 9.173 9.173 8.154 1.019 17598 101 1 . 1 1 24 24 GLU N N 24 117.032 117.032 118.625 -1.593 17598 102 1 . 1 1 24 24 GLU HA H 24 4.811 4.811 4.346 0.465 17598 103 1 . 1 1 24 24 GLU CA C 24 56.655 56.655 58.274 -1.619 17598 104 1 . 1 1 24 24 GLU CB C 24 29.298 29.298 29.072 0.225 17598 105 1 . 1 1 24 24 GLU H H 24 7.789 7.789 8.480 -0.691 17598 106 1 . 1 1 25 25 GLY N N 25 105.050 105.050 105.999 -0.949 17598 107 1 . 1 1 25 25 GLY CA C 25 44.407 44.407 44.798 -0.391 17598 108 1 . 1 1 25 25 GLY H H 25 7.640 7.640 7.504 0.136 17598 109 1 . 1 1 26 26 PHE N N 26 115.467 115.467 118.263 -2.796 17598 110 1 . 1 1 26 26 PHE HA H 26 4.504 4.504 4.698 -0.194 17598 111 1 . 1 1 26 26 PHE CA C 26 55.527 55.527 55.923 -0.396 17598 112 1 . 1 1 26 26 PHE CB C 26 43.117 43.117 40.885 2.232 17598 113 1 . 1 1 26 26 PHE H H 26 6.508 6.508 7.505 -0.997 17598 114 1 . 1 1 27 27 ASN N N 27 118.006 118.006 117.491 0.515 17598 115 1 . 1 1 27 27 ASN HA H 27 4.488 4.488 4.567 -0.079 17598 116 1 . 1 1 27 27 ASN CA C 27 53.029 53.029 53.950 -0.921 17598 117 1 . 1 1 27 27 ASN CB C 27 37.718 37.718 39.122 -1.404 17598 118 1 . 1 1 27 27 ASN H H 27 8.788 8.788 8.538 0.250 17598 119 1 . 1 1 28 28 ILE N N 28 129.126 129.126 121.315 7.811 17598 120 1 . 1 1 28 28 ILE HA H 28 3.688 3.688 3.851 -0.163 17598 121 1 . 1 1 28 28 ILE CA C 28 63.907 63.907 62.091 1.816 17598 122 1 . 1 1 28 28 ILE CB C 28 39.043 39.043 38.521 0.522 17598 123 1 . 1 1 28 28 ILE H H 28 9.557 9.557 8.422 1.134 17598 124 1 . 1 1 29 29 GLU N N 29 120.068 120.068 118.473 1.595 17598 125 1 . 1 1 29 29 GLU HA H 29 4.229 4.229 4.087 0.142 17598 126 1 . 1 1 29 29 GLU CA C 29 58.347 58.347 58.647 -0.300 17598 127 1 . 1 1 29 29 GLU CB C 29 28.129 28.129 28.823 -0.694 17598 128 1 . 1 1 29 29 GLU H H 29 9.064 9.064 8.550 0.514 17598 129 1 . 1 1 30 30 THR N N 30 109.404 109.404 110.911 -1.507 17598 130 1 . 1 1 30 30 THR HA H 30 4.303 4.303 4.067 0.236 17598 131 1 . 1 1 30 30 THR CA C 30 62.079 62.079 63.408 -1.329 17598 132 1 . 1 1 30 30 THR CB C 30 69.583 69.583 68.539 1.044 17598 133 1 . 1 1 30 30 THR H H 30 7.789 7.789 7.763 0.026 17598 134 1 . 1 1 31 31 PHE N N 31 120.250 120.250 120.066 0.184 17598 135 1 . 1 1 31 31 PHE HA H 31 5.426 5.426 4.920 0.506 17598 136 1 . 1 1 31 31 PHE CA C 31 55.456 55.456 55.658 -0.202 17598 137 1 . 1 1 31 31 PHE CB C 31 39.993 39.993 40.122 -0.129 17598 138 1 . 1 1 31 31 PHE H H 31 7.236 7.236 7.000 0.236 17598 139 1 . 1 1 32 32 GLU N N 32 118.531 118.531 119.836 -1.305 17598 140 1 . 1 1 32 32 GLU HA H 32 4.787 4.787 4.714 0.073 17598 141 1 . 1 1 32 32 GLU CA C 32 53.929 53.929 54.939 -1.010 17598 142 1 . 1 1 32 32 GLU CB C 32 33.693 33.693 33.203 0.490 17598 143 1 . 1 1 32 32 GLU H H 32 8.644 8.644 8.952 -0.308 17598 144 1 . 1 1 33 33 MET N N 33 127.438 127.438 126.494 0.944 17598 145 1 . 1 1 33 33 MET HA H 33 4.643 4.643 4.240 0.403 17598 146 1 . 1 1 33 33 MET CA C 33 56.411 56.411 57.351 -0.940 17598 147 1 . 1 1 33 33 MET CB C 33 32.050 32.050 32.977 -0.927 17598 148 1 . 1 1 33 33 MET H H 33 9.679 9.679 9.141 0.538 17598 149 1 . 1 1 34 34 VAL N N 34 119.176 119.176 125.097 -5.921 17598 150 1 . 1 1 34 34 VAL HA H 34 4.774 4.774 4.456 0.318 17598 151 1 . 1 1 34 34 VAL CA C 34 60.996 60.996 61.633 -0.637 17598 152 1 . 1 1 34 34 VAL CB C 34 32.849 32.849 33.382 -0.533 17598 153 1 . 1 1 34 34 VAL H H 34 8.897 8.897 8.688 0.209 17598 154 1 . 1 1 35 35 GLY N N 35 108.249 108.249 107.340 0.909 17598 155 1 . 1 1 35 35 GLY CA C 35 45.184 45.184 45.440 -0.256 17598 156 1 . 1 1 35 35 GLY H H 35 7.589 7.589 7.957 -0.368 17598 157 1 . 1 1 36 36 THR N N 36 110.562 110.562 112.893 -2.331 17598 158 1 . 1 1 36 36 THR HA H 36 5.088 5.088 4.632 0.456 17598 159 1 . 1 1 36 36 THR CA C 36 60.060 60.060 60.926 -0.866 17598 160 1 . 1 1 36 36 THR CB C 36 72.335 72.335 71.693 0.642 17598 161 1 . 1 1 36 36 THR H H 36 8.300 8.300 8.124 0.176 17598 162 1 . 1 1 37 37 LEU N N 37 122.334 122.334 124.989 -2.655 17598 163 1 . 1 1 37 37 LEU HA H 37 4.705 4.705 4.883 -0.178 17598 164 1 . 1 1 37 37 LEU CA C 37 54.521 54.521 53.439 1.082 17598 165 1 . 1 1 37 37 LEU CB C 37 46.315 46.315 45.082 1.233 17598 166 1 . 1 1 37 37 LEU H H 37 8.886 8.886 8.818 0.068 17598 167 1 . 1 1 38 38 SER N N 38 119.156 119.156 118.810 0.346 17598 168 1 . 1 1 38 38 SER HA H 38 5.489 5.489 5.428 0.061 17598 169 1 . 1 1 38 38 SER CA C 38 56.819 56.819 57.384 -0.565 17598 170 1 . 1 1 38 38 SER CB C 38 64.655 64.655 64.770 -0.115 17598 171 1 . 1 1 38 38 SER H H 38 8.694 8.694 8.533 0.161 17598 172 1 . 1 1 39 39 ASN N N 39 124.156 124.156 123.219 0.937 17598 173 1 . 1 1 39 39 ASN CA C 39 51.804 51.804 53.132 -1.328 17598 174 1 . 1 1 39 39 ASN CB C 39 38.863 38.863 39.071 -0.208 17598 175 1 . 1 1 39 39 ASN H H 39 9.068 9.068 8.842 0.226 17598 176 1 . 1 1 40 40 ALA HA H 40 4.167 4.167 4.110 0.057 17598 177 1 . 1 1 40 40 ALA CA C 40 54.726 54.726 54.659 0.067 17598 178 1 . 1 1 40 40 ALA CB C 40 18.211 18.211 18.302 -0.092 17598 179 1 . 1 1 41 41 GLN N N 41 114.937 114.937 116.785 -1.848 17598 180 1 . 1 1 41 41 GLN HA H 41 4.350 4.350 4.235 0.115 17598 181 1 . 1 1 41 41 GLN CA C 41 56.695 56.695 56.869 -0.174 17598 182 1 . 1 1 41 41 GLN CB C 41 28.988 28.988 29.580 -0.592 17598 183 1 . 1 1 41 41 GLN H H 41 8.399 8.399 8.345 0.054 17598 184 1 . 1 1 42 42 GLY N N 42 108.502 108.502 105.421 3.081 17598 185 1 . 1 1 42 42 GLY CA C 42 44.571 44.571 44.499 0.071 17598 186 1 . 1 1 42 42 GLY H H 42 7.892 7.892 7.819 0.073 17598 187 1 . 1 1 43 43 THR N N 43 116.344 116.344 117.079 -0.735 17598 188 1 . 1 1 43 43 THR HA H 43 3.749 3.749 5.056 -1.307 17598 189 1 . 1 1 43 43 THR CA C 43 69.834 69.834 61.619 8.215 17598 190 1 . 1 1 43 43 THR CB C 43 70.316 70.316 69.517 0.799 17598 191 1 . 1 1 43 43 THR H H 43 7.762 7.762 7.846 -0.084 17598 192 1 . 1 1 44 44 PHE N N 44 123.688 123.688 124.874 -1.186 17598 193 1 . 1 1 44 44 PHE HA H 44 5.106 5.106 4.765 0.341 17598 194 1 . 1 1 44 44 PHE CA C 44 55.547 55.547 56.173 -0.626 17598 195 1 . 1 1 44 44 PHE CB C 44 41.905 41.905 42.158 -0.253 17598 196 1 . 1 1 44 44 PHE H H 44 9.283 9.283 9.089 0.194 17598 197 1 . 1 1 45 45 ALA N N 45 122.438 122.438 122.888 -0.450 17598 198 1 . 1 1 45 45 ALA HA H 45 4.951 4.951 4.855 0.096 17598 199 1 . 1 1 45 45 ALA CA C 45 50.110 50.110 50.572 -0.462 17598 200 1 . 1 1 45 45 ALA CB C 45 21.637 21.637 21.357 0.280 17598 201 1 . 1 1 45 45 ALA H H 45 9.579 9.579 9.192 0.387 17598 202 1 . 1 1 46 46 LEU N N 46 121.500 121.500 125.086 -3.586 17598 203 1 . 1 1 46 46 LEU HA H 46 5.143 5.143 5.158 -0.015 17598 204 1 . 1 1 46 46 LEU CA C 46 52.982 52.982 53.923 -0.941 17598 205 1 . 1 1 46 46 LEU CB C 46 42.418 42.418 42.898 -0.480 17598 206 1 . 1 1 46 46 LEU H H 46 8.472 8.472 8.816 -0.344 17598 207 1 . 1 1 47 47 VAL N N 47 122.125 122.125 123.514 -1.389 17598 208 1 . 1 1 47 47 VAL HA H 47 4.915 4.915 4.561 0.354 17598 209 1 . 1 1 47 47 VAL CA C 47 59.423 59.423 59.364 0.058 17598 210 1 . 1 1 47 47 VAL CB C 47 34.828 34.828 36.026 -1.198 17598 211 1 . 1 1 47 47 VAL H H 47 9.175 9.175 8.962 0.213 17598 212 1 . 1 1 48 48 LYS N N 48 129.000 129.000 124.243 4.757 17598 213 1 . 1 1 48 48 LYS HA H 48 5.198 5.198 4.961 0.237 17598 214 1 . 1 1 48 48 LYS CA C 48 54.726 54.726 54.034 0.692 17598 215 1 . 1 1 48 48 LYS CB C 48 35.033 35.033 35.730 -0.697 17598 216 1 . 1 1 48 48 LYS H H 48 9.675 9.675 8.485 1.190 17598 217 1 . 1 1 49 49 GLY N N 49 113.844 113.844 110.868 2.976 17598 218 1 . 1 1 49 49 GLY CA C 49 44.876 44.876 45.644 -0.768 17598 219 1 . 1 1 49 49 GLY H H 49 8.792 8.792 8.520 0.272 17598 220 1 . 1 1 50 50 ALA N N 50 123.844 123.844 122.352 1.492 17598 221 1 . 1 1 50 50 ALA HA H 50 3.452 3.452 3.673 -0.221 17598 222 1 . 1 1 50 50 ALA CA C 50 52.982 52.982 53.205 -0.223 17598 223 1 . 1 1 50 50 ALA CB C 50 16.950 16.950 17.096 -0.146 17598 224 1 . 1 1 50 50 ALA H H 50 8.963 8.963 8.690 0.273 17598 225 1 . 1 1 51 51 GLY N N 51 105.406 105.406 106.219 -0.813 17598 226 1 . 1 1 51 51 GLY CA C 51 45.544 45.544 45.068 0.476 17598 227 1 . 1 1 51 51 GLY H H 51 8.582 8.582 8.349 0.233 17598 228 1 . 1 1 52 52 GLY N N 52 108.644 108.644 107.797 0.847 17598 229 1 . 1 1 52 52 GLY CA C 52 45.149 45.149 45.048 0.101 17598 230 1 . 1 1 52 52 GLY H H 52 7.692 7.692 8.070 -0.378 17598 231 1 . 1 1 53 53 VAL N N 53 121.656 121.656 118.261 3.395 17598 232 1 . 1 1 53 53 VAL HA H 53 4.587 4.587 4.699 -0.112 17598 233 1 . 1 1 53 53 VAL CA C 53 61.745 61.745 59.839 1.906 17598 234 1 . 1 1 53 53 VAL CB C 53 32.967 32.967 34.098 -1.131 17598 235 1 . 1 1 53 53 VAL H H 53 7.928 7.928 8.173 -0.245 17598 236 1 . 1 1 54 54 HIS N N 54 128.219 128.219 123.641 4.578 17598 237 1 . 1 1 54 54 HIS HA H 54 4.623 4.623 4.998 -0.375 17598 238 1 . 1 1 54 54 HIS CA C 54 54.866 54.866 54.076 0.790 17598 239 1 . 1 1 54 54 HIS CB C 54 34.303 34.303 32.941 1.362 17598 240 1 . 1 1 54 54 HIS H H 54 9.188 9.188 8.855 0.333 17598 241 1 . 1 1 55 55 ARG N N 55 122.125 122.125 123.255 -1.130 17598 242 1 . 1 1 55 55 ARG HA H 55 5.027 5.027 5.312 -0.285 17598 243 1 . 1 1 55 55 ARG CA C 55 55.284 55.284 55.033 0.251 17598 244 1 . 1 1 55 55 ARG CB C 55 30.757 30.757 32.183 -1.426 17598 245 1 . 1 1 55 55 ARG H H 55 8.816 8.816 8.630 0.186 17598 246 1 . 1 1 56 56 VAL N N 56 124.229 124.229 118.106 6.123 17598 247 1 . 1 1 56 56 VAL HA H 56 4.708 4.708 4.956 -0.248 17598 248 1 . 1 1 56 56 VAL CA C 56 60.682 60.682 60.075 0.607 17598 249 1 . 1 1 56 56 VAL CB C 56 35.467 35.467 35.889 -0.422 17598 250 1 . 1 1 56 56 VAL H H 56 9.444 9.444 8.970 0.474 17598 251 1 . 1 1 57 57 ARG N N 57 124.554 124.554 122.193 2.361 17598 252 1 . 1 1 57 57 ARG HA H 57 4.823 4.823 4.703 0.120 17598 253 1 . 1 1 57 57 ARG CA C 57 53.324 53.324 53.745 -0.421 17598 254 1 . 1 1 57 57 ARG CB C 57 33.985 33.985 32.386 1.599 17598 255 1 . 1 1 57 57 ARG H H 57 9.124 9.124 8.376 0.748 17598 256 1 . 1 1 58 58 VAL N N 58 120.250 120.250 120.494 -0.244 17598 257 1 . 1 1 58 58 VAL HA H 58 3.355 3.355 3.559 -0.204 17598 258 1 . 1 1 58 58 VAL CA C 58 65.446 65.446 64.928 0.518 17598 259 1 . 1 1 58 58 VAL CB C 58 30.932 30.932 30.706 0.226 17598 260 1 . 1 1 58 58 VAL H H 58 8.327 8.327 8.329 -0.002 17598 261 1 . 1 1 59 59 GLY N N 59 117.437 117.437 116.343 1.094 17598 262 1 . 1 1 59 59 GLY CA C 59 44.575 44.575 44.541 0.034 17598 263 1 . 1 1 59 59 GLY H H 59 9.097 9.097 8.651 0.446 17598 264 1 . 1 1 60 60 ASP N N 60 121.031 121.031 122.279 -1.248 17598 265 1 . 1 1 60 60 ASP HA H 60 4.951 4.951 4.565 0.386 17598 266 1 . 1 1 60 60 ASP CA C 60 54.342 54.342 55.364 -1.022 17598 267 1 . 1 1 60 60 ASP CB C 60 41.758 41.758 41.702 0.056 17598 268 1 . 1 1 60 60 ASP H H 60 7.800 7.800 7.990 -0.190 17598 269 1 . 1 1 61 61 TYR N N 61 115.406 115.406 115.995 -0.589 17598 270 1 . 1 1 61 61 TYR HA H 61 5.590 5.590 5.428 0.162 17598 271 1 . 1 1 61 61 TYR CA C 61 56.792 56.792 56.804 -0.012 17598 272 1 . 1 1 61 61 TYR CB C 61 42.570 42.570 41.971 0.599 17598 273 1 . 1 1 61 61 TYR H H 61 7.834 7.834 8.374 -0.540 17598 274 1 . 1 1 62 62 LEU N N 62 117.750 117.750 118.702 -0.952 17598 275 1 . 1 1 62 62 LEU HA H 62 4.301 4.301 4.904 -0.603 17598 276 1 . 1 1 62 62 LEU CA C 62 53.997 53.997 54.460 -0.463 17598 277 1 . 1 1 62 62 LEU CB C 62 46.770 46.770 46.194 0.576 17598 278 1 . 1 1 62 62 LEU H H 62 9.362 9.362 8.685 0.677 17598 279 1 . 1 1 63 63 GLY N N 63 107.303 107.303 107.900 -0.597 17598 280 1 . 1 1 63 63 GLY CA C 63 44.288 44.288 45.178 -0.890 17598 281 1 . 1 1 63 63 GLY H H 63 7.945 7.945 8.269 -0.324 17598 282 1 . 1 1 64 64 ARG N N 64 113.687 113.687 120.752 -7.066 17598 283 1 . 1 1 64 64 ARG HA H 64 4.441 4.441 4.226 0.215 17598 284 1 . 1 1 64 64 ARG CA C 64 57.269 57.269 57.768 -0.499 17598 285 1 . 1 1 64 64 ARG CB C 64 30.746 30.746 30.510 0.236 17598 286 1 . 1 1 64 64 ARG H H 64 8.424 8.424 8.446 -0.022 17598 287 1 . 1 1 65 65 ASN N N 65 121.626 121.626 115.933 5.693 17598 288 1 . 1 1 65 65 ASN HA H 65 5.499 5.499 4.754 0.745 17598 289 1 . 1 1 65 65 ASN CA C 65 53.356 53.356 52.857 0.499 17598 290 1 . 1 1 65 65 ASN CB C 65 39.516 39.516 38.344 1.172 17598 291 1 . 1 1 65 65 ASN H H 65 9.529 9.529 8.041 1.488 17598 292 1 . 1 1 66 66 ASP N N 66 116.656 116.656 117.472 -0.816 17598 293 1 . 1 1 66 66 ASP HA H 66 3.899 3.899 4.337 -0.438 17598 294 1 . 1 1 66 66 ASP CA C 66 54.788 54.788 55.253 -0.465 17598 295 1 . 1 1 66 66 ASP CB C 66 39.420 39.420 39.032 0.388 17598 296 1 . 1 1 66 66 ASP H H 66 9.397 9.397 7.855 1.542 17598 297 1 . 1 1 67 67 GLY N N 67 100.587 100.587 105.918 -5.332 17598 298 1 . 1 1 67 67 GLY CA C 67 48.011 48.011 45.267 2.744 17598 299 1 . 1 1 67 67 GLY H H 67 7.424 7.424 8.266 -0.842 17598 300 1 . 1 1 68 68 LYS N N 68 130.952 130.952 128.014 2.938 17598 301 1 . 1 1 68 68 LYS HA H 68 3.848 3.848 4.776 -0.928 17598 302 1 . 1 1 68 68 LYS CA C 68 54.979 54.979 55.109 -0.130 17598 303 1 . 1 1 68 68 LYS CB C 68 34.457 34.457 34.602 -0.145 17598 304 1 . 1 1 68 68 LYS H H 68 8.121 8.121 8.745 -0.624 17598 305 1 . 1 1 69 69 VAL N N 69 126.813 126.813 126.962 -0.149 17598 306 1 . 1 1 69 69 VAL HA H 69 4.112 4.112 3.846 0.266 17598 307 1 . 1 1 69 69 VAL CA C 69 63.283 63.283 63.910 -0.627 17598 308 1 . 1 1 69 69 VAL CB C 69 30.734 30.734 30.968 -0.234 17598 309 1 . 1 1 69 69 VAL H H 69 9.113 9.113 8.443 0.670 17598 310 1 . 1 1 70 70 VAL N N 70 122.594 122.594 123.852 -1.258 17598 311 1 . 1 1 70 70 VAL HA H 70 4.605 4.605 4.553 0.052 17598 312 1 . 1 1 70 70 VAL CA C 70 60.897 60.897 61.709 -0.812 17598 313 1 . 1 1 70 70 VAL CB C 70 32.643 32.643 33.607 -0.964 17598 314 1 . 1 1 70 70 VAL H H 70 8.968 8.968 8.640 0.328 17598 315 1 . 1 1 71 71 GLY N N 71 110.562 110.562 109.428 1.134 17598 316 1 . 1 1 71 71 GLY CA C 71 46.199 46.199 44.429 1.770 17598 317 1 . 1 1 71 71 GLY H H 71 7.638 7.638 8.084 -0.446 17598 318 1 . 1 1 72 72 ILE N N 72 123.063 123.063 122.323 0.740 17598 319 1 . 1 1 72 72 ILE HA H 72 4.459 4.459 4.295 0.164 17598 320 1 . 1 1 72 72 ILE CA C 72 61.374 61.374 60.673 0.701 17598 321 1 . 1 1 72 72 ILE CB C 72 42.381 42.381 40.031 2.350 17598 322 1 . 1 1 72 72 ILE H H 72 8.404 8.404 8.421 -0.017 17598 323 1 . 1 1 73 73 SER N N 73 123.531 123.531 122.502 1.028 17598 324 1 . 1 1 73 73 SER HA H 73 4.723 4.723 4.823 -0.100 17598 325 1 . 1 1 73 73 SER CA C 73 56.220 56.220 56.690 -0.470 17598 326 1 . 1 1 73 73 SER CB C 73 65.450 65.450 64.739 0.710 17598 327 1 . 1 1 73 73 SER H H 73 8.801 8.801 8.764 0.037 17598 328 1 . 1 1 74 74 GLU N N 74 116.656 116.656 117.942 -1.286 17598 329 1 . 1 1 74 74 GLU HA H 74 4.304 4.304 4.371 -0.067 17598 330 1 . 1 1 74 74 GLU CA C 74 55.730 55.730 56.933 -1.203 17598 331 1 . 1 1 74 74 GLU CB C 74 29.102 29.102 30.158 -1.056 17598 332 1 . 1 1 74 74 GLU H H 74 8.537 8.537 8.563 -0.026 17598 333 1 . 1 1 75 75 GLY N N 75 102.989 102.989 106.078 -3.089 17598 334 1 . 1 1 75 75 GLY CA C 75 45.018 45.018 44.981 0.037 17598 335 1 . 1 1 75 75 GLY H H 75 8.124 8.124 8.051 0.073 17598 336 1 . 1 1 76 76 LYS N N 76 120.094 120.094 117.671 2.423 17598 337 1 . 1 1 76 76 LYS HA H 76 5.261 5.261 5.060 0.201 17598 338 1 . 1 1 76 76 LYS CA C 76 56.601 56.601 55.297 1.304 17598 339 1 . 1 1 76 76 LYS CB C 76 35.411 35.411 34.972 0.439 17598 340 1 . 1 1 76 76 LYS H H 76 7.546 7.546 7.524 0.022 17598 341 1 . 1 1 77 77 ILE N N 77 121.344 121.344 121.414 -0.071 17598 342 1 . 1 1 77 77 ILE HA H 77 4.550 4.550 4.588 -0.038 17598 343 1 . 1 1 77 77 ILE CA C 77 59.847 59.847 59.549 0.298 17598 344 1 . 1 1 77 77 ILE CB C 77 41.616 41.616 40.725 0.891 17598 345 1 . 1 1 77 77 ILE H H 77 8.776 8.776 8.622 0.154 17598 346 1 . 1 1 78 78 ASP N N 78 126.813 126.813 129.349 -2.536 17598 347 1 . 1 1 78 78 ASP HA H 78 5.201 5.201 5.193 0.008 17598 348 1 . 1 1 78 78 ASP CA C 78 54.120 54.120 54.580 -0.460 17598 349 1 . 1 1 78 78 ASP CB C 78 42.952 42.952 41.853 1.099 17598 350 1 . 1 1 78 78 ASP H H 78 8.964 8.964 8.425 0.539 17598 351 1 . 1 1 79 79 VAL N N 79 124.156 124.156 117.926 6.230 17598 352 1 . 1 1 79 79 VAL HA H 79 5.179 5.179 5.055 0.124 17598 353 1 . 1 1 79 79 VAL CA C 79 59.274 59.274 59.689 -0.415 17598 354 1 . 1 1 79 79 VAL CB C 79 36.079 36.079 36.193 -0.114 17598 355 1 . 1 1 79 79 VAL H H 79 9.060 9.060 9.150 -0.090 17598 356 1 . 1 1 80 80 ILE N N 80 126.656 126.656 123.313 3.343 17598 357 1 . 1 1 80 80 ILE HA H 80 4.495 4.495 4.460 0.035 17598 358 1 . 1 1 80 80 ILE CA C 80 61.183 61.183 59.468 1.715 17598 359 1 . 1 1 80 80 ILE CB C 80 39.287 39.287 37.546 1.741 17598 360 1 . 1 1 80 80 ILE H H 80 8.812 8.812 8.954 -0.142 17598 361 1 . 1 1 81 81 GLU N N 81 126.656 126.656 128.037 -1.381 17598 362 1 . 1 1 81 81 GLU HA H 81 4.622 4.622 4.930 -0.308 17598 363 1 . 1 1 81 81 GLU CA C 81 55.074 55.074 54.717 0.357 17598 364 1 . 1 1 81 81 GLU CB C 81 32.643 32.643 33.056 -0.413 17598 365 1 . 1 1 81 81 GLU H H 81 8.283 8.283 8.653 -0.370 17598 366 1 . 1 1 82 82 ILE N N 82 120.094 120.094 122.226 -2.132 17598 367 1 . 1 1 82 82 ILE HA H 82 5.033 5.033 4.899 0.134 17598 368 1 . 1 1 82 82 ILE CA C 82 60.228 60.228 59.405 0.823 17598 369 1 . 1 1 82 82 ILE CB C 82 39.038 39.038 38.342 0.696 17598 370 1 . 1 1 82 82 ILE H H 82 8.252 8.252 8.597 -0.345 17598 371 1 . 1 1 83 83 VAL N N 83 120.094 120.094 122.399 -2.305 17598 372 1 . 1 1 83 83 VAL HA H 83 5.222 5.222 5.019 0.203 17598 373 1 . 1 1 83 83 VAL CA C 83 57.223 57.223 57.911 -0.688 17598 374 1 . 1 1 83 83 VAL CB C 83 33.593 33.593 34.941 -1.348 17598 375 1 . 1 1 83 83 VAL H H 83 9.201 9.201 9.015 0.186 17598 376 1 . 1 1 84 84 PRO HA H 84 4.375 4.375 4.092 0.283 17598 377 1 . 1 1 84 84 PRO CA C 84 62.042 62.042 62.584 -0.542 17598 378 1 . 1 1 84 84 PRO CB C 84 31.857 31.857 32.148 -0.291 17598 379 1 . 1 1 85 85 ASP N N 85 120.250 120.250 121.560 -1.310 17598 380 1 . 1 1 85 85 ASP HA H 85 4.505 4.505 4.546 -0.041 17598 381 1 . 1 1 85 85 ASP CA C 85 52.497 52.497 54.493 -1.996 17598 382 1 . 1 1 85 85 ASP CB C 85 41.234 41.234 42.079 -0.845 17598 383 1 . 1 1 85 85 ASP H H 85 8.083 8.083 8.423 -0.340 17598 384 1 . 1 1 86 86 GLY N N 86 109.156 109.156 106.977 2.179 17598 385 1 . 1 1 86 86 GLY CA C 86 45.052 45.052 45.326 -0.275 17598 386 1 . 1 1 86 86 GLY H H 86 8.160 8.160 8.299 -0.139 17598 387 1 . 1 1 87 87 GLU N N 87 120.719 120.719 120.916 -0.197 17598 388 1 . 1 1 87 87 GLU HA H 87 4.441 4.441 4.437 0.004 17598 389 1 . 1 1 87 87 GLU CA C 87 54.979 54.979 56.181 -1.202 17598 390 1 . 1 1 87 87 GLU CB C 87 30.162 30.162 30.538 -0.376 17598 391 1 . 1 1 87 87 GLU H H 87 8.663 8.663 8.460 0.203 17598 392 1 . 1 1 88 88 GLY N N 88 109.312 109.312 107.218 2.094 17598 393 1 . 1 1 88 88 GLY CA C 88 44.765 44.765 44.752 0.013 17598 394 1 . 1 1 88 88 GLY H H 88 8.417 8.417 8.093 0.324 17598 395 1 . 1 1 89 89 ASN N N 89 119.625 119.625 118.227 1.398 17598 396 1 . 1 1 89 89 ASN HA H 89 4.997 4.997 4.773 0.224 17598 397 1 . 1 1 89 89 ASN CA C 89 50.970 50.970 52.326 -1.356 17598 398 1 . 1 1 89 89 ASN CB C 89 40.088 40.088 39.455 0.633 17598 399 1 . 1 1 89 89 ASN H H 89 8.331 8.331 7.807 0.524 17598 400 1 . 1 1 90 90 TRP N N 90 121.188 121.188 119.994 1.194 17598 401 1 . 1 1 90 90 TRP HA H 90 5.161 5.161 5.137 0.024 17598 402 1 . 1 1 90 90 TRP CA C 90 56.770 56.770 56.831 -0.061 17598 403 1 . 1 1 90 90 TRP CB C 90 32.261 32.261 31.579 0.682 17598 404 1 . 1 1 90 90 TRP H H 90 8.538 8.538 8.386 0.152 17598 405 1 . 1 1 91 91 LEU N N 91 121.031 121.031 119.198 1.833 17598 406 1 . 1 1 91 91 LEU HA H 91 4.815 4.815 4.838 -0.023 17598 407 1 . 1 1 91 91 LEU CA C 91 53.356 53.356 53.122 0.234 17598 408 1 . 1 1 91 91 LEU CB C 91 45.243 45.243 46.782 -1.539 17598 409 1 . 1 1 91 91 LEU H H 91 9.518 9.518 9.009 0.509 17598 410 1 . 1 1 92 92 GLU N N 92 119.156 119.156 120.931 -1.775 17598 411 1 . 1 1 92 92 GLU HA H 92 5.052 5.052 4.628 0.424 17598 412 1 . 1 1 92 92 GLU CA C 92 55.360 55.360 56.613 -1.253 17598 413 1 . 1 1 92 92 GLU CB C 92 31.402 31.402 30.568 0.834 17598 414 1 . 1 1 92 92 GLU H H 92 8.490 8.490 8.667 -0.177 17598 415 1 . 1 1 93 93 ARG N N 93 124.938 124.938 122.196 2.742 17598 416 1 . 1 1 93 93 ARG HA H 93 5.064 5.064 4.790 0.274 17598 417 1 . 1 1 93 93 ARG CA C 93 52.694 52.694 52.800 -0.106 17598 418 1 . 1 1 93 93 ARG CB C 93 34.161 34.161 32.289 1.872 17598 419 1 . 1 1 93 93 ARG H H 93 9.283 9.283 8.625 0.658 17598 420 1 . 1 1 94 94 PRO HA H 94 5.243 5.243 4.752 0.491 17598 421 1 . 1 1 94 94 PRO CA C 94 62.253 62.253 62.938 -0.685 17598 422 1 . 1 1 94 94 PRO CB C 94 32.574 32.574 31.441 1.133 17598 423 1 . 1 1 95 95 ARG N N 95 120.416 120.416 125.238 -4.822 17598 424 1 . 1 1 95 95 ARG HA H 95 4.696 4.696 4.701 -0.005 17598 425 1 . 1 1 95 95 ARG CA C 95 54.623 54.623 54.501 0.122 17598 426 1 . 1 1 95 95 ARG CB C 95 33.392 33.392 33.990 -0.598 17598 427 1 . 1 1 95 95 ARG H H 95 9.115 9.115 8.834 0.281 17598 428 1 . 1 1 96 96 SER N N 96 115.719 115.719 117.579 -1.860 17598 429 1 . 1 1 96 96 SER HA H 96 5.781 5.781 5.325 0.456 17598 430 1 . 1 1 96 96 SER CA C 96 56.824 56.824 57.017 -0.193 17598 431 1 . 1 1 96 96 SER CB C 96 65.906 65.906 64.516 1.390 17598 432 1 . 1 1 96 96 SER H H 96 8.676 8.676 8.554 0.122 17598 433 1 . 1 1 97 97 LEU N N 97 126.188 126.188 127.519 -1.331 17598 434 1 . 1 1 97 97 LEU HA H 97 4.873 4.873 4.722 0.151 17598 435 1 . 1 1 97 97 LEU CA C 97 55.034 55.034 53.853 1.181 17598 436 1 . 1 1 97 97 LEU CB C 97 42.931 42.931 41.307 1.624 17598 437 1 . 1 1 97 97 LEU H H 97 9.030 9.030 9.042 -0.012 17598 438 1 . 1 1 98 98 THR N N 98 113.687 113.687 114.890 -1.203 17598 439 1 . 1 1 98 98 THR HA H 98 4.869 4.869 4.521 0.348 17598 440 1 . 1 1 98 98 THR CA C 98 60.265 60.265 60.820 -0.555 17598 441 1 . 1 1 98 98 THR CB C 98 70.650 70.650 70.074 0.576 17598 442 1 . 1 1 98 98 THR H H 98 8.410 8.410 8.278 0.132 17598 443 1 . 1 1 99 99 LEU N N 99 126.344 126.344 123.967 2.377 17598 444 1 . 1 1 99 99 LEU HA H 99 4.085 4.085 4.103 -0.018 17598 445 1 . 1 1 99 99 LEU CA C 99 55.771 55.771 56.143 -0.372 17598 446 1 . 1 1 99 99 LEU CB C 99 43.053 43.053 42.344 0.709 17598 447 1 . 1 1 99 99 LEU H H 99 7.806 7.806 8.156 -0.350 17598 448 1 . 1 1 100 100 LYS N N 100 128.063 128.063 125.424 2.639 17598 449 1 . 1 1 100 100 LYS HA H 100 4.395 4.395 4.107 0.288 17598 450 1 . 1 1 100 100 LYS CA C 100 55.915 55.915 56.978 -1.063 17598 451 1 . 1 1 100 100 LYS CB C 100 33.060 33.060 32.284 0.775 17598 452 1 . 1 1 100 100 LYS H H 100 8.816 8.816 8.463 0.353 17598 453 1 . 1 1 101 101 GLU N N 101 123.531 123.531 122.314 1.217 17598 454 1 . 1 1 101 101 GLU HA H 101 3.989 3.989 4.376 -0.387 17598 455 1 . 1 1 101 101 GLU CA C 101 55.970 55.970 56.097 -0.127 17598 456 1 . 1 1 101 101 GLU CB C 101 30.589 30.589 31.087 -0.498 17598 457 1 . 1 1 101 101 GLU H H 101 8.323 8.323 8.384 -0.061 17598 458 1 . 1 1 102 102 ARG N N 102 122.965 122.965 121.733 1.232 17598 459 1 . 1 1 102 102 ARG HA H 102 4.367 4.367 4.405 -0.038 17598 460 1 . 1 1 102 102 ARG CA C 102 55.774 55.774 56.234 -0.460 17598 461 1 . 1 1 102 102 ARG CB C 102 30.559 30.559 30.667 -0.108 17598 462 1 . 1 1 102 102 ARG H H 102 8.414 8.414 8.519 -0.105 17598 463 1 . 1 1 103 103 SER N N 103 117.435 117.435 116.364 1.071 17598 464 1 . 1 1 103 103 SER HA H 103 4.431 4.431 4.595 -0.164 17598 465 1 . 1 1 103 103 SER CA C 103 58.079 58.079 57.826 0.253 17598 466 1 . 1 1 103 103 SER CB C 103 63.554 63.554 64.264 -0.710 17598 467 1 . 1 1 103 103 SER H H 103 8.423 8.423 8.366 0.057 17598 468 1 . 1 1 104 104 LEU N N 104 124.423 124.423 122.441 1.982 17598 469 1 . 1 1 104 104 LEU HA H 104 4.324 4.324 4.500 -0.176 17598 470 1 . 1 1 104 104 LEU CA C 104 55.124 55.124 54.983 0.141 17598 471 1 . 1 1 104 104 LEU CB C 104 41.989 41.989 42.797 -0.808 17598 472 1 . 1 1 104 104 LEU H H 104 8.369 8.369 8.343 0.026 17598 473 1 . 1 1 105 105 GLU N N 105 120.875 120.875 120.294 0.581 17598 474 1 . 1 1 105 105 GLU HA H 105 4.014 4.014 4.360 -0.346 17598 475 1 . 1 1 105 105 GLU CA C 105 57.945 57.945 55.979 1.966 17598 476 1 . 1 1 105 105 GLU CB C 105 29.846 29.846 29.889 -0.043 17598 477 1 . 1 1 105 105 GLU H H 105 8.249 8.249 8.465 -0.216 17598 478 1 . 1 1 106 106 HIS N N 106 120.719 120.719 120.001 0.718 17598 479 1 . 1 1 106 106 HIS CA C 106 56.608 56.608 56.071 0.537 17598 480 1 . 1 1 106 106 HIS CB C 106 32.448 32.448 30.157 2.291 17598 481 1 . 1 1 106 106 HIS H H 106 8.274 8.274 8.206 0.068 17598 482 1 . 1 1 107 107 HIS HA H 107 4.586 4.586 4.696 -0.110 17598 483 1 . 1 1 107 107 HIS CA C 107 55.804 55.804 55.647 0.157 17598 484 1 . 1 1 107 107 HIS CB C 107 30.424 30.424 30.540 -0.116 17598 485 1 . 1 1 108 108 HIS N N 108 125.843 125.843 120.802 5.041 17598 486 1 . 1 1 108 108 HIS CA C 108 57.105 57.105 55.833 1.272 17598 487 1 . 1 1 108 108 HIS CB C 108 30.424 30.424 30.641 -0.217 17598 488 1 . 1 1 108 108 HIS H H 108 7.941 7.941 8.392 -0.451 17598 stop_ save_